A0A077Z4B0_TRITR Loading...

Solute carrier family 12

AlphaFold DB , UniProt , Accession A0A077Z4B0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,057 aa.

						>A0A077Z4B0_TRITR|A0A077Z4B0
MKNQPADDDIDEILDELPKDTIMFNEDSDLPESPVASPSVLVTRTKSMDMEMQVPNIKLYQTELLKTCSSRPSLTDLHENVEYVDIEEPPEPGDGNIFEEPVGSDANHPVNAVGAFKPPDAKVKFGWIRGVLIRCILNILGATLYLRLGWVAGHAGIALGTVIVLFSTLITTLTALSMCALCTNGEIKGGGAYFMLSRSLGPEFGGSMGMIFGLADATYAAMNVIGFAETISSFLTQADLSIVDGGVNDIRIIGACTQLCLFVLVMISVAWESKTELALFFIITISYITFLVGTFLPPSKEQMAQGITGYRWTTFSENMLPLWSGETIFSVFGIYLPSVTGIMAGAGISGDLAEPNKSIPKGTLLGIAVTTVLYLSGIWLTGATCIRNASGSLDDLYNGTIAACAENSTCHHGLLNSNDVMQLEGAFSPLVTAGIFATCLSSSLTCLVSAPRTFQAICRDRLYPYISFLGKGSGAQDEPRRATVLVTLVGLMVISIGELNSVAPLISNLYLASFALINYACFDGSLAQSPGWRPAFKYYNMWLSLLGALLCIAAMFILSWGMALVTAAVISTLYVYLLHRKPNVNWGSSGQAYTYTRALRDMVTLLTTEEHVKNYRPQVLVFTGNPVSRPCLIDFVRSITKDVSLMVCGHVITLSNPSDLCGGMASWTNRIHGWLHRRKVKAFYAPVVVENYFSGIEMLLQLSGFGKLTPNIAFMGYKSDWRTCAVEDLKNYMNTIHECFSHDMAVCILRLSSGCDFSDLLKKYPFFDGCDLLDPVAFKAAERARRLEQAKITLGKHLATVNELAMEVKEEARDGEFQKEAKAAIKRIMNSVALFTKEKTPKRPVTSKRSIAAKGLSIAVNQFRRKRKHAVIDVWWFSDDGGLTLLVSHLLSQSKSYLEGAQLRVFTKAQDVNNLMEEEESLKALLAKFRISYTDVIVLPDMLSLPNDVTVRRFDQLTAPFLRTESELKLENEKDDVFITPSQKENLKRRINRHLLTHELLQRYSKETTLIVISLPVPRKGRESAYLFLSFLEIITRDLPPVLLVRGNQKNVLTFYS
					

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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	37.5	Very low	36.5	Very low	252 Å²	252	164.1 Å²	164.1	100%	1.241	87%	0.871	S	S	*	*				0	125.3	0	-79.3	174.5	166.8	0	0	107.3
2	K	33.5	Very low	36.6	Very low	203 Å²	203	165.8 Å²	165.8	88%	0.883	87%	0.87	S	S	*	*			trans	-65.7	133.4	-177.4	-72.8	174.3	171	-179.1	0	110.5
3	N	39	Very low	36.5	Very low	168 Å²	168	164.9 Å²	164.9	90%	0.898	86%	0.864	S	S	*	*			trans	-166.4	89.8	148.6	-94.7	-8.6	0	0	0	107.6
4	Q	34.1	Very low	36.2	Very low	196 Å²	196	164.1 Å²	164.1	92%	0.916	86%	0.86	S	S	*	*	P	Polyproline II helix	trans	-96.9	125.2	161	-85.8	175.9	-52.6	0	0	106.9
5	P	41.9	Very low	36.2	Very low	122 Å²	122	164.1 Å²	164.1	79%	0.792	86%	0.861	S	S	*	*	P	Polyproline II helix	trans	-85.1	143.4	154.8	21.2	-6.1	0	0	0	109.5
6	A	35.7	Very low	36.1	Very low	89 Å²	89	165.6 Å²	165.6	74%	0.736	86%	0.862	S	S	*	*	P	Polyproline II helix	trans	-71.1	139.6	-178	0	0	0	0	0	111.8
7	D	35.6	Very low	35.9	Very low	164 Å²	164	165.2 Å²	165.2	88%	0.877	86%	0.86	S	S	*	*			trans	-75.1	107.4	159.6	-77.2	-47.5	0	0	0	107.8
8	D	36.9	Very low	35.9	Very low	140 Å²	140	162 Å²	162	75%	0.749	85%	0.851	S	S	*	*			trans	-153.6	114.9	160	-81.9	-38.6	0	0	0	104.1
9	D	37.5	Very low	35.9	Very low	158 Å²	158	163.7 Å²	163.7	85%	0.845	85%	0.851	S	S	*	*			trans	158.7	26.9	160.5	-81.3	-13	0	0	0	114.7
10	I	34.4	Very low	35.8	Very low	155 Å²	155	162.9 Å²	162.9	80%	0.795	85%	0.848	S	S	*	*	S	Bend	trans	-110.5	-11.1	177.7	-61.9	-177.5	0	0	0	114.7
11	D	35.7	Very low	35.7	Very low	158 Å²	158	160.4 Å²	160.4	85%	0.845	84%	0.84	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	4.6	-174.1	-76.8	-21.7	0	0	0	116
12	E	36.9	Very low	35.4	Very low	184 Å²	184	155 Å²	155	86%	0.86	81%	0.814	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.2	6.1	-174.4	-129.6	175.9	-162.2	0	0	116.1
13	I	36.1	Very low	35.3	Very low	155 Å²	155	153 Å²	153	80%	0.795	81%	0.81	S	S	*	*	S	Bend	trans	-99.4	-0.9	-177.6	-62.1	176.3	0	0	0	113.4
14	L	32	Very low	34.9	Very low	154 Å²	154	153.9 Å²	153.9	81%	0.806	81%	0.806	S	S	*	*	S	Bend	trans	-91.8	-2.1	-175.8	-83.3	162.8	0	0	0	116
15	D	35.8	Very low	34.8	Very low	164 Å²	164	152 Å²	152	88%	0.877	80%	0.803	S	S	*	*	S	Bend	trans	-102.1	5.2	-173.8	-92.7	-15.1	0	0	0	116.2
16	E	34.7	Very low	34.2	Very low	187 Å²	187	154.9 Å²	154.9	87%	0.874	81%	0.805	S	S	*	*			trans	-112.8	66.1	177.2	-70.5	-167.1	163.6	0	0	113.3
17	L	32.3	Very low	34.1	Very low	159 Å²	159	157.6 Å²	157.6	83%	0.832	81%	0.808	S	S	*	*			trans	-132.2	116.1	161.6	-90.5	157.5	0	0	0	110.2
18	P	35.9	Very low	34	Very low	108 Å²	108	154.6 Å²	154.6	70%	0.701	80%	0.8	S	S	*	*			trans	-69.8	132.1	-173.6	25.4	-30.8	0	0	0	112.1	D20	P18-D20 PolarHBondContact O-N 3.22Å
19	K	36.1	Very low	33.8	Very low	195 Å²	195	156 Å²	156	85%	0.848	81%	0.807	S	S	*	*			trans	-75.4	82.2	172.9	-69.2	177.7	179.4	173.8	0	110.1	T21	K19-T21 PolarHBondContact O-N 2.71Å; K19-T21 PolarHBondContact O-OG1 3.03Å
20	D	34.4	Very low	33.6	Very low	146 Å²	146	155.8 Å²	155.8	78%	0.781	81%	0.805	S	S	*	*			trans	-69.7	96.2	168.3	-79.6	-20.9	0	0	0	109.5	P18 I22	P18-D20 PolarHBondContact O-N 3.22Å; D20-I22 PolarHBondContact O-N 2.98Å
21	T	33.3	Very low	33.4	Very low	111 Å²	111	154 Å²	154	68%	0.681	80%	0.803	S	S	*	*			trans	-81.3	102.8	176.1	-53.4	0	0	0	0	107.7	K19 M23	K19-T21 PolarHBondContact O-N 2.71Å; K19-T21 PolarHBondContact O-OG1 3.03Å; T21-M23 PolarHBondContact O-N 3.06Å
22	I	31.3	Very low	32.9	Very low	138 Å²	138	156 Å²	156	71%	0.708	81%	0.808	S	S	*	*			trans	-71.9	100	176.2	-59.6	171.7	0	0	0	107.8	D20 F24	D20-I22 PolarHBondContact O-N 2.98Å; I22-F24 HydrophobicContact CG2-CE2 4.34Å; I22-F24 PolarHBondContact O-N 3.15Å
23	M	31.9	Very low	32.6	Very low	163 Å²	163	152.5 Å²	152.5	80%	0.803	80%	0.803	S	S	*	*			trans	-73.2	112	172.1	-68	-71.9	-70.6	0	0	108.8	T21 N25	T21-M23 PolarHBondContact O-N 3.06Å; M23-N25 PolarHBondContact O-N 2.82Å
24	F	30.2	Very low	32.4	Very low	186 Å²	186	151 Å²	151	82%	0.816	80%	0.804	S	S	*	*			trans	-72.5	121.5	166.8	-78.5	-91.5	0	0	0	108.4	I22	I22-F24 HydrophobicContact CG2-CE2 4.34Å; I22-F24 PolarHBondContact O-N 3.15Å
25	N	32	Very low	32.1	Very low	156 Å²	156	150.7 Å²	150.7	83%	0.834	81%	0.808	S	S	*	*			trans	-79.5	115.6	178.5	-152	16.3	0	0	0	108.2	M23	M23-N25 PolarHBondContact O-N 2.82Å
26	E	29.9	Very low	31.8	Very low	182 Å²	182	147.1 Å²	147.1	85%	0.85	80%	0.802	S	S	*	*			trans	-85	0.1	-170.3	-91	-176.3	155.6	0	0	115.5
27	D	33.6	Very low	31.3	Very low	147 Å²	147	143.1 Å²	143.1	79%	0.786	79%	0.794	S	S	*	*			trans	-106.7	86.5	-172.4	-64.6	-32	0	0	0	112.7
28	S	33.5	Very low	31.1	Very low	101 Å²	101	141 Å²	141	71%	0.706	79%	0.79	S	S	*	*			trans	-139	95.1	155.9	73.3	0	0	0	0	111	L30	S28-L30 PolarHBondContact O-N 3.17Å
29	D	32.3	Very low	30.5	Very low	170 Å²	170	141 Å²	141	91%	0.909	79%	0.792	S	S	*	*			trans	-55.2	117.2	171.5	-65.7	-49.5	0	0	0	111.3
30	L	32.9	Very low	30	Very low	152 Å²	152	137.8 Å²	137.8	80%	0.796	79%	0.789	S	S	*	*			trans	-121.7	139.1	167.3	-96	137.4	0	0	0	110.1	S28	S28-L30 PolarHBondContact O-N 3.17Å
31	P	31.1	Very low	29.5	Very low	117 Å²	117	137.4 Å²	137.4	76%	0.76	79%	0.786	S	S	*	*			trans	-80	141.2	-158.9	-8.7	26.7	0	0	0	113.4
32	E	25.7	Very low	29	Very low	202 Å²	202	137.7 Å²	137.7	94%	0.944	79%	0.787	S	S	*	*			trans	-58.5	128.5	174.6	-63.4	177.1	152.1	0	0	112.1
33	S	30.3	Very low	28.6	Very low	109 Å²	109	135.8 Å²	135.8	76%	0.762	78%	0.782	S	S	*	*			trans	-128.6	147	163.7	64.6	0	0	0	0	109.9
34	P	31.1	Very low	28.2	Very low	125 Å²	125	138.7 Å²	138.7	81%	0.812	78%	0.784	S	S	*	*			trans	-81.8	144.1	-147.2	29.4	-33.9	0	0	0	114.6	A36	P34-A36 PolarHBondContact O-N 3.22Å; P34-A36 VanDerWaalsContact O-N 3.14Å
35	V	26.9	Very low	28	Very low	146 Å²	146	134.9 Å²	134.9	89%	0.885	78%	0.776	S	S	*	*			trans	-48.1	101.9	178.7	-176.5	0	0	0	0	112.6
36	A	28.7	Very low	27.9	Very low	90 Å²	90	135.8 Å²	135.8	74%	0.744	77%	0.773	S	S	*	*			trans	-93	116.1	155.7	0	0	0	0	0	107.7	P34	P34-A36 PolarHBondContact O-N 3.22Å; P34-A36 VanDerWaalsContact O-N 3.14Å
37	S	24.1	Very low	28.1	Very low	103 Å²	103	131.7 Å²	131.7	72%	0.72	77%	0.765	S	S	*	*			trans	-48.7	125.9	-179.9	49.8	0	0	0	0	111.7	S39	S37-S39 PolarHBondContact O-N 3.35Å; S37-S39 VanDerWaalsContact O-N 3.1Å
38	P	27.4	Very low	28.1	Very low	115 Å²	115	131.1 Å²	131.1	75%	0.747	76%	0.759	S	S	*	*			trans	-70.6	111.6	179.1	27.4	-30.2	0	0	0	108.6	V40	P38-V40 PolarHBondContact O-N 3.36Å; P38-V40 VanDerWaalsContact O-N 3.1Å
39	S	24.3	Very low	28.5	Very low	106 Å²	106	132.1 Å²	132.1	74%	0.741	76%	0.756	S	S	*	*			trans	-53.9	117.3	156.3	51.2	0	0	0	0	106.8	S37 L41	S37-S39 PolarHBondContact O-N 3.35Å; S37-S39 VanDerWaalsContact O-N 3.1Å; S39-L41 PolarHBondContact O-N 3.13Å
40	V	25.8	Very low	29.2	Very low	129 Å²	129	126.8 Å²	126.8	78%	0.782	73%	0.726	S	S	*	*			trans	-62.3	84.4	176.1	-178.2	0	0	0	0	107.6	P38 V42	P38-V40 PolarHBondContact O-N 3.36Å; P38-V40 VanDerWaalsContact O-N 3.1Å; V40-V42 VanDerWaalsContact C-N 3.28Å; V40-V42 HydrophobicContact CG1-CG2 3.86Å; V40-V42 PolarHBondContact O-N 3.06Å
41	L	22.5	Very low	29.8	Very low	137 Å²	137	128.5 Å²	128.5	72%	0.717	73%	0.73	S	S	*	*			trans	-72.3	97.2	166.2	-164.4	77.6	0	0	0	104.2	S39 T43	S39-L41 PolarHBondContact O-N 3.13Å; L41-T43 HydrophobicContact CD2-CG2 3.96Å; L41-T43 HydrophobicContact CG-CG2 4.36Å; L41-T43 PolarHBondContact O-N 3.41Å; L41-T43 PolarHBondContact O-OG1 3.39Å
42	V	23.5	Very low	30.5	Very low	117 Å²	117	130.2 Å²	130.2	71%	0.709	73%	0.73	S	S	*	*			trans	-66.3	76.8	169.6	-176.8	0	0	0	0	106.8	V40 R44	V40-V42 VanDerWaalsContact C-N 3.28Å; V40-V42 HydrophobicContact CG1-CG2 3.86Å; V40-V42 PolarHBondContact O-N 3.06Å; V42-R44 HydrophobicContact CG1-CG 4.44Å; V42-R44 PolarHBondContact O-N 2.86Å
43	T	22	Very low	31.8	Very low	99 Å²	99	124.5 Å²	124.5	61%	0.607	70%	0.704	S	S	*	*			trans	-67.5	93.9	161.3	30.4	0	0	0	0	105.5	L41 T45	L41-T43 HydrophobicContact CD2-CG2 3.96Å; L41-T43 HydrophobicContact CG-CG2 4.36Å; L41-T43 PolarHBondContact O-N 3.41Å; L41-T43 PolarHBondContact O-OG1 3.39Å; T43-T45 PolarHBondContact O-N 3.35Å
44	R	24.6	Very low	33.2	Very low	223 Å²	223	125.3 Å²	125.3	84%	0.842	70%	0.704	S	S	*	*			trans	-52.2	97.4	162.7	-81.5	-178.5	170.9	174.8	-3.9	107.1	V42 K46	V42-R44 HydrophobicContact CG1-CG 4.44Å; V42-R44 PolarHBondContact O-N 2.86Å; R44-K46 VanDerWaalsContact C-N 3.27Å; R44-K46 PolarHBondContact O-N 3.21Å
45	T	25	Very low	34.1	Very low	106 Å²	106	123.4 Å²	123.4	65%	0.65	69%	0.691	S	S	*	*			trans	-68	83	176.6	33.3	0	0	0	0	108.7	T43 S47	T43-T45 PolarHBondContact O-N 3.35Å; T45-S47 PolarHBondContact O-N 3.37Å
46	K	31.4	Very low	35.8	Very low	175 Å²	175	119.2 Å²	119.2	76%	0.761	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	25	169.1	-84.9	-167.6	169.3	-165.3	0	113.2	R44	R44-K46 VanDerWaalsContact C-N 3.27Å; R44-K46 PolarHBondContact O-N 3.21Å
47	S	34.5	Very low	37.4	Very low	97 Å²	97	120.8 Å²	120.8	68%	0.678	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.2	-3.8	-178.6	63.1	0	0	0	0	114	T45	T45-S47 PolarHBondContact O-N 3.37Å
48	M	32.3	Very low	38.9	Very low	134 Å²	134	120.2 Å²	120.2	66%	0.66	64%	0.643	S	S	*	*	S	Bend	trans	-86.6	-10.6	-178.5	-89.9	178.1	62.7	0	0	115.1
49	D	42.4	Very low	40.2	Very low	123 Å²	123	116.7 Å²	116.7	66%	0.658	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	-7.8	-162.9	-69.2	-23.7	0	0	0	116
50	M	46.7	Very low	42	Very low	57 Å²	57	118.5 Å²	118.5	28%	0.281	61%	0.609	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.5	-32	175.3	-78.7	-145.5	-169	0	0	114.4	M52 Q53 L77	M50-M52 PolarHBondContact O-N 3.17Å; M50-Q53 PolarHBondContact O-N 3.02Å; M50-L77 HydrophobicContact SD-CD2 4.04Å
51	E	45.2	Very low	43.3	Very low	188 Å²	188	116.8 Å²	116.8	88%	0.879	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	-27.4	179.2	-78.5	-172.8	162	0	0	112.4
52	M	47.2	Very low	44.7	Very low	154 Å²	154	115.1 Å²	115.1	76%	0.759	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.8	36.8	176.3	-61.8	-167.8	-158.1	0	0	112.5	M50 V54	M50-M52 PolarHBondContact O-N 3.17Å; M52-V54 PolarHBondContact O-N 3.35Å
53	Q	52.5	Low	45.7	Very low	82 Å²	82	114.4 Å²	114.4	38%	0.383	58%	0.577	S	S	.	*			trans	-59.7	110.1	170	-120.7	-174.7	9.8	0	0	108.7	M50	M50-Q53 PolarHBondContact O-N 3.02Å
54	V	58.3	Low	46.4	Very low	126 Å²	126	112.1 Å²	112.1	76%	0.764	56%	0.561	S	S	*	*			trans	-55.3	132.2	175.8	-174.6	0	0	0	0	107	M52 N56	M52-V54 PolarHBondContact O-N 3.35Å; V54-N56 PolarHBondContact O-N 3.16Å
55	P	52	Low	47	Very low	85 Å²	85	107.3 Å²	107.3	55%	0.552	55%	0.552	S	S	*	*			trans	-51.7	116.6	-177.5	-27.3	33.4	0	0	0	110.6	I57 Y60	P55-I57 VanDerWaalsContact C-N 3.35Å; P55-I57 PolarHBondContact O-N 3.43Å; P55-Y60 HydrophobicContact CB-CE2 4.33Å
56	N	62.4	Low	47.9	Very low	58 Å²	58	110.4 Å²	110.4	31%	0.31	56%	0.556	S	S	.	*			trans	-69.7	97.4	175.8	-175	-19.9	0	0	0	108.6	V54 K58 L59	V54-N56 PolarHBondContact O-N 3.16Å; N56-K58 PolarHBondContact O-N 3.27Å; N56-K58 VanDerWaalsContact OD1-CB 3.28Å; N56-K58 WeakPolarHBondContact OD1-CB 3.03Å; N56-K58 PolarHBondContact OD1-N 3.37Å; N56-K58 VanDerWaalsContact OD1-N 3.13Å; N56-L59 HydrophobicContact CB-CD1 3.93Å; N56-L59 HydrophobicContact CB-CG 4.26Å; N56-L59 WeakPolarHBondContact O-CB 3.29Å; N56-L59 PolarHBondContact O-N 2.87Å
57	I	61.8	Low	48.3	Very low	122 Å²	122	107.5 Å²	107.5	63%	0.626	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-55.4	-29.9	-175.1	-59.6	174.5	0	0	0	111	P55 L59 Y60	P55-I57 VanDerWaalsContact C-N 3.35Å; P55-I57 PolarHBondContact O-N 3.43Å; I57-L59 PolarHBondContact O-N 3.09Å; I57-Y60 PolarHBondContact O-N 2.97Å
58	K	55.4	Low	48.6	Very low	92 Å²	92	105.5 Å²	105.5	40%	0.4	54%	0.538	S	S	.	.	G	3₁₀ helix	trans	-61.2	-28.5	179	-62	-179.7	178.3	174.7	0	112.5	N56 Y60 Q61 L64	N56-K58 PolarHBondContact O-N 3.27Å; N56-K58 VanDerWaalsContact OD1-CB 3.28Å; N56-K58 WeakPolarHBondContact OD1-CB 3.03Å; N56-K58 PolarHBondContact OD1-N 3.37Å; N56-K58 VanDerWaalsContact OD1-N 3.13Å; K58-Y60 VanDerWaalsContact C-N 3.3Å; K58-Y60 PolarHBondContact O-N 3.43Å; K58-Q61 PolarHBondContact O-N 3.41Å; K58-L64 HydrophobicContact CB-CD2 3.91Å; K58-L64 HydrophobicContact CD-CD2 4.39Å; K58-L64 HydrophobicContact CG-CD2 4.34Å
59	L	55.4	Low	49.2	Very low	41 Å²	41	102.2 Å²	102.2	22%	0.215	53%	0.529	C	S	.	.	G	3₁₀ helix	trans	-70.9	-24.2	177.4	-67.9	169.8	0	0	0	113.5	N56 I57 S69 R71	N56-L59 HydrophobicContact CB-CD1 3.93Å; N56-L59 HydrophobicContact CB-CG 4.26Å; N56-L59 WeakPolarHBondContact O-CB 3.29Å; N56-L59 PolarHBondContact O-N 2.87Å; I57-L59 PolarHBondContact O-N 3.09Å; L59-S69 WeakPolarHBondContact CD2-O 3.36Å; L59-R71 HydrophobicContact CD1-CB 4.25Å; L59-R71 HydrophobicContact CD1-CG 4.1Å; L59-R71 HydrophobicContact CD2-CB 3.95Å
60	Y	60.8	Low	49.5	Very low	144 Å²	144	99.9 Å²	99.9	57%	0.565	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-18.1	-180	-66.7	-91.8	0	0	0	112.4	P55 I57 K58 T62 R71	P55-Y60 HydrophobicContact CB-CE2 4.33Å; I57-Y60 PolarHBondContact O-N 2.97Å; K58-Y60 VanDerWaalsContact C-N 3.3Å; K58-Y60 PolarHBondContact O-N 3.43Å; Y60-T62 PolarHBondContact O-N 3.02Å; Y60-R71 PolarHBondContact OH-NH2 2.86Å; Y60-R71 VanDerWaalsContact OH-NH2 3.12Å
61	Q	54.5	Low	49.9	Very low	92 Å²	92	104.5 Å²	104.5	43%	0.43	54%	0.536	S	S	.	.	S	Bend	trans	-77.4	103.1	175.4	-64.9	-177.4	-2.2	0	0	109.1	K58 E63 L64	K58-Q61 PolarHBondContact O-N 3.41Å; Q61-E63 PolarHBondContact O-N 3.46Å; Q61-L64 PolarHBondContact O-N 3.26Å
62	T	50.4	Low	50.4	Low	103 Å²	103	96.8 Å²	96.8	63%	0.632	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-23.1	-171.2	-27.4	0	0	0	0	114.4	Y60	Y60-T62 PolarHBondContact O-N 3.02Å
63	E	45.1	Very low	50.9	Low	102 Å²	102	91 Å²	91	48%	0.477	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-23.1	179.5	-68.4	-167.7	129.4	0	0	114	Q61 K188	Q61-E63 PolarHBondContact O-N 3.46Å; E63-K188 IonicContact OE2-NZ 3.93Å; E63-K188 PolarHBondContact OE2-NZ 2.93Å
64	L	36.5	Very low	51.3	Low	51 Å²	51	94.3 Å²	94.3	27%	0.267	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-86.9	-9.4	-173.7	-122.8	75.9	0	0	0	114.6	K58 Q61 K66 T67 C68	K58-L64 HydrophobicContact CB-CD2 3.91Å; K58-L64 HydrophobicContact CD-CD2 4.39Å; K58-L64 HydrophobicContact CG-CD2 4.34Å; Q61-L64 PolarHBondContact O-N 3.26Å; L64-K66 PolarHBondContact O-N 2.66Å; L64-T67 PolarHBondContact O-N 3.46Å; L64-C68 HydrophobicContact CB-CB 4.36Å; L64-C68 HydrophobicContact CD2-CB 3.55Å; L64-C68 WeakPolarHBondContact CD2-SG 3.44Å; L64-C68 HydrophobicContact CG-CB 3.9Å; L64-C68 PolarHBondContact O-N 3.3Å
65	L	37.9	Very low	51.4	Low	122 Å²	122	90 Å²	90	64%	0.639	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-57.9	-10.4	171.5	-89.8	162.8	0	0	0	113.3
66	K	43.1	Very low	51.7	Low	171 Å²	171	87.1 Å²	87.1	74%	0.743	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-81.9	-22.5	175	-74.2	-178	179.6	169.5	0	114.4	L64	L64-K66 PolarHBondContact O-N 2.66Å
67	T	39.8	Very low	51.6	Low	113 Å²	113	87.3 Å²	87.3	69%	0.693	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-147.7	-17.9	-173.4	47.6	0	0	0	0	116.8	L64	L64-T67 PolarHBondContact O-N 3.46Å
68	C	40.5	Very low	51.5	Low	55 Å²	55	89.4 Å²	89.4	37%	0.372	46%	0.458	S	S	.	.	S	Bend	trans	-99.1	144.6	178.8	-76.8	0	0	0	0	111.6	L64 S70	L64-C68 HydrophobicContact CB-CB 4.36Å; L64-C68 HydrophobicContact CD2-CB 3.55Å; L64-C68 WeakPolarHBondContact CD2-SG 3.44Å; L64-C68 HydrophobicContact CG-CB 3.9Å; L64-C68 PolarHBondContact O-N 3.3Å; C68-S70 PolarHBondContact O-N 3.04Å
69	S	45.5	Very low	51.6	Low	66 Å²	66	88.7 Å²	88.7	46%	0.462	46%	0.456	S	S	.	.			trans	2.8	103.2	167.4	58.6	0	0	0	0	113.2	L59 R71	L59-S69 WeakPolarHBondContact CD2-O 3.36Å; S69-R71 PolarHBondContact O-N 3.49Å
70	S	48.1	Very low	51.3	Low	73 Å²	73	92.6 Å²	92.6	51%	0.51	48%	0.477	S	S	.	.			trans	-53.4	129.1	168.7	52.6	0	0	0	0	108	C68 P72	C68-S70 PolarHBondContact O-N 3.04Å; S70-P72 VanDerWaalsContact O-N 3.1Å
71	R	55.4	Low	50.6	Low	154 Å²	154	87.8 Å²	87.8	58%	0.581	46%	0.463	S	S	*	.			trans	-44.5	123.5	173.9	-173.5	170.8	-149	-165	5.1	107.9	L59 Y60 S69 S73	L59-R71 HydrophobicContact CD1-CB 4.25Å; L59-R71 HydrophobicContact CD1-CG 4.1Å; L59-R71 HydrophobicContact CD2-CB 3.95Å; Y60-R71 PolarHBondContact OH-NH2 2.86Å; Y60-R71 VanDerWaalsContact OH-NH2 3.12Å; S69-R71 PolarHBondContact O-N 3.49Å; R71-S73 PolarHBondContact O-N 3.44Å
72	P	54.9	Low	49.9	Very low	27 Å²	27	91.2 Å²	91.2	18%	0.175	48%	0.479	C	S	.	.			trans	-55.1	135.2	178.9	22	-31.8	0	0	0	108	S70 D76 L77 Y83	S70-P72 VanDerWaalsContact O-N 3.1Å; P72-D76 HydrophobicContact CB-CB 4.08Å; P72-L77 HydrophobicContact CB-CD1 4.45Å; P72-L77 HydrophobicContact CB-CG 4.21Å; P72-L77 HydrophobicContact CG-CD1 4.2Å; P72-L77 HydrophobicContact CG-CG 4.19Å; P72-Y83 HydrophobicContact CB-CD2 4.4Å; P72-Y83 HydrophobicContact CB-CE2 3.65Å
73	S	59.1	Low	49.5	Very low	31 Å²	31	90.3 Å²	90.3	22%	0.217	46%	0.464	C	S	.	.			trans	-65.4	155.9	170.6	64.4	0	0	0	0	108.7	R71 T75 D76 L77	R71-S73 PolarHBondContact O-N 3.44Å; S73-T75 PolarHBondContact O-N 3.32Å; S73-T75 PolarHBondContact OG-OG1 2.98Å; S73-D76 WeakPolarHBondContact CB-OD2 3.38Å; S73-D76 PolarHBondContact N-OD2 3.06Å; S73-D76 PolarHBondContact O-N 2.82Å; S73-D76 PolarHBondContact OG-N 3.45Å; S73-D76 PolarHBondContact OG-OD1 3.47Å; S73-D76 PolarHBondContact OG-OD2 3.34Å; S73-L77 PolarHBondContact O-N 3.05Å; S73-L77 VanDerWaalsContact O-N 3.17Å
74	L	59.9	Low	49.2	Very low	153 Å²	153	91 Å²	91	80%	0.801	48%	0.475	S	S	*	.	H	α-helix	trans	-54.3	-31.1	176.4	-163.1	108	0	0	0	111.5	H78	L74-H78 WeakPolarHBondContact O-CB 3.19Å; L74-H78 PolarHBondContact O-N 3.49Å
75	T	60.5	Low	49.3	Very low	34 Å²	34	93.2 Å²	93.2	21%	0.209	49%	0.487	C	S	.	.	H	α-helix	trans	-69.5	-36.2	172.4	39	0	0	0	0	114.2	S73 L77 H78 E79	S73-T75 PolarHBondContact O-N 3.32Å; S73-T75 PolarHBondContact OG-OG1 2.98Å; T75-L77 VanDerWaalsContact C-N 3.3Å; T75-L77 PolarHBondContact O-N 3.38Å; T75-H78 PolarHBondContact O-N 2.9Å; T75-E79 WeakPolarHBondContact O-CB 3.18Å; T75-E79 WeakPolarHBondContact O-CG 3.28Å; T75-E79 PolarHBondContact O-N 3.12Å
76	D	59.4	Low	49.2	Very low	26 Å²	26	91.8 Å²	91.8	14%	0.139	48%	0.479	C	S	.	.	H	α-helix	trans	-67.8	-35.3	178	-56.2	-45.8	0	0	0	110.9	P72 S73 V81 Y83 R786	P72-D76 HydrophobicContact CB-CB 4.08Å; S73-D76 WeakPolarHBondContact CB-OD2 3.38Å; S73-D76 PolarHBondContact N-OD2 3.06Å; S73-D76 PolarHBondContact O-N 2.82Å; S73-D76 PolarHBondContact OG-N 3.45Å; S73-D76 PolarHBondContact OG-OD1 3.47Å; S73-D76 PolarHBondContact OG-OD2 3.34Å; D76-V81 PolarHBondContact O-N 2.94Å; D76-Y83 HydrophobicContact CB-CE2 3.84Å; D76-Y83 VanDerWaalsContact CB-OH 3.26Å; D76-Y83 WeakPolarHBondContact CB-OH 3.48Å; D76-Y83 VanDerWaalsContact CG-OH 3.25Å; D76-Y83 PolarHBondContact OD2-OH 3.5Å; D76-R786 IonicContact OD2-NH1 2.66Å
77	L	59.8	Low	48.7	Very low	62 Å²	62	92 Å²	92	33%	0.325	48%	0.483	S	S	.	.	H	α-helix	trans	-65.5	-42.1	171.2	-79.2	151.3	0	0	0	111.7	M50 P72 S73 T75	M50-L77 HydrophobicContact SD-CD2 4.04Å; P72-L77 HydrophobicContact CB-CD1 4.45Å; P72-L77 HydrophobicContact CB-CG 4.21Å; P72-L77 HydrophobicContact CG-CD1 4.2Å; P72-L77 HydrophobicContact CG-CG 4.19Å; S73-L77 PolarHBondContact O-N 3.05Å; S73-L77 VanDerWaalsContact O-N 3.17Å; T75-L77 VanDerWaalsContact C-N 3.3Å; T75-L77 PolarHBondContact O-N 3.38Å
78	H	58.8	Low	48.3	Very low	165 Å²	165	92.4 Å²	92.4	76%	0.764	48%	0.477	S	S	*	.	H	α-helix	trans	-70.8	-34.4	179.3	-162.2	79.2	0	0	0	112.8	L74 T75 N80	L74-H78 WeakPolarHBondContact O-CB 3.19Å; L74-H78 PolarHBondContact O-N 3.49Å; T75-H78 PolarHBondContact O-N 2.9Å; H78-N80 PolarHBondContact O-N 3.23Å
79	E	58.6	Low	47.8	Very low	78 Å²	78	93.4 Å²	93.4	36%	0.364	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	7.6	-180	-76.1	-175.4	-153.6	0	0	113.5	T75 V81 R783	T75-E79 WeakPolarHBondContact O-CB 3.18Å; T75-E79 WeakPolarHBondContact O-CG 3.28Å; T75-E79 PolarHBondContact O-N 3.12Å; E79-V81 HydrophobicContact CB-CG2 3.9Å; E79-V81 PolarHBondContact O-N 3.03Å; E79-V81 VanDerWaalsContact O-N 3.11Å; E79-R783 IonicContact OE2-CZ 2.76Å; E79-R783 IonicContact OE2-NH1 2.63Å; E79-R783 PolarHBondContact OE2-NH1 3.12Å; E79-R783 IonicContact OE2-NH2 3.66Å; E79-R783 PolarHBondContact OE2-NH2 3.5Å
80	N	49.6	Very low	47	Very low	122 Å²	122	96 Å²	96	65%	0.652	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	46	40.5	-175	-79.2	-25.2	0	0	0	112.2	H78 E82	H78-N80 PolarHBondContact O-N 3.23Å; N80-E82 PolarHBondContact O-N 3.15Å
81	V	46.3	Very low	46.1	Very low	43 Å²	43	101 Å²	101	26%	0.261	51%	0.513	S	S	.	.			trans	-69.2	110.7	175.1	-177.5	0	0	0	0	106.5	D76 E79 Y83	D76-V81 PolarHBondContact O-N 2.94Å; E79-V81 HydrophobicContact CB-CG2 3.9Å; E79-V81 PolarHBondContact O-N 3.03Å; E79-V81 VanDerWaalsContact O-N 3.11Å; V81-Y83 VanDerWaalsContact C-N 3.35Å; V81-Y83 HydrophobicContact CB-CE2 4.29Å; V81-Y83 HydrophobicContact CG1-CE2 4.41Å; V81-Y83 VanDerWaalsContact O-CD2 3.26Å; V81-Y83 WeakPolarHBondContact O-CD2 3.4Å; V81-Y83 PolarHBondContact O-N 3.13Å
82	E	39.6	Very low	44.9	Very low	165 Å²	165	99.4 Å²	99.4	77%	0.771	52%	0.523	S	S	*	.			trans	-56.8	99.6	172.1	-88.5	-174.2	157	0	0	108.6	N80 V84	N80-E82 PolarHBondContact O-N 3.15Å; E82-V84 PolarHBondContact O-N 3Å
83	Y	40.6	Very low	43.8	Very low	84 Å²	84	101.5 Å²	101.5	33%	0.329	55%	0.549	S	S	.	.			trans	-75.9	111.9	157.2	-72.6	-88.9	0	0	0	105.5	P72 D76 V81 D85	P72-Y83 HydrophobicContact CB-CD2 4.4Å; P72-Y83 HydrophobicContact CB-CE2 3.65Å; D76-Y83 HydrophobicContact CB-CE2 3.84Å; D76-Y83 VanDerWaalsContact CB-OH 3.26Å; D76-Y83 WeakPolarHBondContact CB-OH 3.48Å; D76-Y83 VanDerWaalsContact CG-OH 3.25Å; D76-Y83 PolarHBondContact OD2-OH 3.5Å; V81-Y83 VanDerWaalsContact C-N 3.35Å; V81-Y83 HydrophobicContact CB-CE2 4.29Å; V81-Y83 HydrophobicContact CG1-CE2 4.41Å; V81-Y83 VanDerWaalsContact O-CD2 3.26Å; V81-Y83 WeakPolarHBondContact O-CD2 3.4Å; V81-Y83 PolarHBondContact O-N 3.13Å; Y83-D85 PolarHBondContact O-N 3.4Å
84	V	39.1	Very low	42.4	Very low	116 Å²	116	107.6 Å²	107.6	70%	0.703	58%	0.58	S	S	*	*			trans	-65.6	98.4	162.6	-178.6	0	0	0	0	105.4	E82 I86	E82-V84 PolarHBondContact O-N 3Å; V84-I86 PolarHBondContact O-N 3.39Å
85	D	38.7	Very low	40.8	Very low	98 Å²	98	103.6 Å²	103.6	52%	0.524	58%	0.575	S	S	.	*			trans	-57	112.3	159	-81.1	-38.1	0	0	0	105.3	Y83 E87	Y83-D85 PolarHBondContact O-N 3.4Å; D85-E87 PolarHBondContact O-N 2.82Å
86	I	35.5	Very low	39.3	Very low	92 Å²	92	108.3 Å²	108.3	47%	0.472	60%	0.599	S	S	.	*			trans	-71.3	90.1	176.9	-55	172.3	0	0	0	104.8	V84 E88	V84-I86 PolarHBondContact O-N 3.39Å; I86-E88 PolarHBondContact O-N 3.33Å
87	E	33.6	Very low	37.8	Very low	175 Å²	175	114.8 Å²	114.8	82%	0.818	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-55.1	121.4	160.4	-72.9	-178.4	161.4	0	0	106.4	D85	D85-E87 PolarHBondContact O-N 2.82Å
88	E	30.9	Very low	36.3	Very low	121 Å²	121	120.7 Å²	120.7	57%	0.565	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-54.2	137.8	169.2	-79.9	168.1	-173.8	0	0	107.8	I86	I86-E88 PolarHBondContact O-N 3.33Å
89	P	29.9	Very low	34.8	Very low	76 Å²	76	121.3 Å²	121.3	49%	0.494	66%	0.658	S	S	.	*	P	Polyproline II helix	trans	-53.6	131.3	-177.5	20.1	-30.4	0	0	0	109.3	E91	P89-E91 PolarHBondContact O-N 2.83Å
90	P	30	Very low	33.1	Very low	121 Å²	121	126.4 Å²	126.4	79%	0.786	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-58.4	127.3	175.7	22.2	-30.4	0	0	0	108.2
91	E	29.1	Very low	32.2	Very low	178 Å²	178	126.4 Å²	126.4	83%	0.832	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-50.9	140.3	171.4	-69.1	-178.7	168.7	0	0	108.8	P89 G93	P89-E91 PolarHBondContact O-N 2.83Å; E91-G93 PolarHBondContact O-N 3.5Å
92	P	29.6	Very low	31.3	Very low	120 Å²	120	131.6 Å²	131.6	78%	0.779	72%	0.72	S	S	*	*			trans	-55.7	106	-178.9	20.3	-29.8	0	0	0	109.4	D94	P92-D94 PolarHBondContact O-N 2.91Å
93	G	30.7	Very low	30.9	Very low	71 Å²	71	126.9 Å²	126.9	73%	0.732	72%	0.717	S	S	*	*			trans	-63.5	122.8	-178.3	0	0	0	0	0	109.9	E91 G95	E91-G93 PolarHBondContact O-N 3.5Å; G93-G95 PolarHBondContact O-N 3.27Å; G93-G95 VanDerWaalsContact O-N 3.14Å
94	D	29.7	Very low	30.3	Very low	160 Å²	160	128.2 Å²	128.2	86%	0.856	74%	0.738	S	S	*	*			trans	-54.7	115.4	170.7	-140.5	-2.5	0	0	0	108.1	P92 N96	P92-D94 PolarHBondContact O-N 2.91Å; D94-N96 PolarHBondContact O-N 3.46Å
95	G	26.8	Very low	29.9	Very low	68 Å²	68	130.7 Å²	130.7	70%	0.701	75%	0.747	S	S	*	*			trans	-66.7	94.9	-176.3	0	0	0	0	0	110.4	G93	G93-G95 PolarHBondContact O-N 3.27Å; G93-G95 VanDerWaalsContact O-N 3.14Å
96	N	29.9	Very low	29.5	Very low	133 Å²	133	129.9 Å²	129.9	71%	0.711	76%	0.755	S	S	*	*			trans	-127.2	95.1	162	-91.3	-22.9	0	0	0	109.3	D94 F98	D94-N96 PolarHBondContact O-N 3.46Å; N96-F98 HydrophobicContact CB-CD2 4.43Å; N96-F98 PolarHBondContact O-N 3.21Å
97	I	26.5	Very low	29.2	Very low	162 Å²	162	132.9 Å²	132.9	83%	0.831	77%	0.771	S	S	*	*			trans	-59.9	106.3	163.4	-59.6	163.8	0	0	0	106.6
98	F	29.7	Very low	28.8	Very low	186 Å²	186	132.8 Å²	132.8	82%	0.816	77%	0.771	S	S	*	*			trans	-128.4	114.4	162.3	-92.9	-82	0	0	0	109.5	N96	N96-F98 HydrophobicContact CB-CD2 4.43Å; N96-F98 PolarHBondContact O-N 3.21Å
99	E	26.9	Very low	28.6	Very low	178 Å²	178	132.3 Å²	132.3	83%	0.832	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-57	146.9	172.8	-70.5	172.4	141.2	0	0	111.8
100	E	22.9	Very low	28.6	Very low	185 Å²	185	135.4 Å²	135.4	86%	0.864	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-61.1	134.4	179.6	-60.8	171.4	154.1	0	0	113
101	P	30.1	Very low	28.5	Very low	123 Å²	123	136.5 Å²	136.5	80%	0.799	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-102.5	116.4	152.1	8.9	10.9	0	0	0	109.6	G103	P101-G103 PolarHBondContact O-N 3.49Å
102	V	28.6	Very low	28.5	Very low	151 Å²	151	132.5 Å²	132.5	92%	0.915	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-56	118.6	164.3	178	0	0	0	0	109.1
103	G	29.7	Very low	28.7	Very low	67 Å²	67	133.7 Å²	133.7	69%	0.691	80%	0.796	S	S	*	*			trans	-174.4	108.2	177.4	0	0	0	0	0	112.4	P101	P101-G103 PolarHBondContact O-N 3.49Å
104	S	28.1	Very low	28.6	Very low	112 Å²	112	133.6 Å²	133.6	78%	0.783	80%	0.795	S	S	*	*			trans	-47.1	128.8	170.2	51.5	0	0	0	0	113.3
105	D	31.9	Very low	28.5	Very low	167 Å²	167	130.6 Å²	130.6	89%	0.893	79%	0.793	S	S	*	*			trans	-167	148.1	133.5	-98	-25	0	0	0	111.9
106	A	28.8	Very low	28.7	Very low	82 Å²	82	133.2 Å²	133.2	68%	0.678	79%	0.785	S	S	*	*			trans	-69.3	159.8	-168.4	0	0	0	0	0	114.8
107	N	29.8	Very low	28.5	Very low	154 Å²	154	136.2 Å²	136.2	82%	0.824	79%	0.792	S	S	*	*			trans	72.5	49.2	154.6	-70.7	-11.7	0	0	0	119.5
108	H	25.6	Very low	28.9	Very low	174 Å²	174	132.3 Å²	132.3	81%	0.806	78%	0.777	S	S	*	*			trans	-116.9	115.7	149.9	-93.6	-74.4	0	0	0	111.1	V110	H108-V110 PolarHBondContact O-N 3.47Å
109	P	26.5	Very low	29.2	Very low	110 Å²	110	128.9 Å²	128.9	71%	0.714	77%	0.774	S	S	*	*			trans	-61.5	132.4	173	25.7	-30.2	0	0	0	108.2	N111	P109-N111 PolarHBondContact O-N 3.1Å; P109-N111 VanDerWaalsContact O-N 3.12Å
110	V	30.1	Very low	29.9	Very low	141 Å²	141	128 Å²	128	86%	0.855	78%	0.775	S	S	*	*			trans	-34.6	114.9	178.1	-176.6	0	0	0	0	109.9	H108 A112	H108-V110 PolarHBondContact O-N 3.47Å; V110-A112 PolarHBondContact O-N 3.32Å
111	N	28.2	Very low	31	Very low	144 Å²	144	123.1 Å²	123.1	77%	0.77	77%	0.766	S	S	*	*			trans	-45.9	113.7	178.9	-79.2	-32.3	0	0	0	109.3	P109 V113	P109-N111 PolarHBondContact O-N 3.1Å; P109-N111 VanDerWaalsContact O-N 3.12Å; N111-V113 PolarHBondContact O-N 3.09Å
112	A	29.1	Very low	32.3	Very low	94 Å²	94	121.1 Å²	121.1	78%	0.777	75%	0.745	S	S	*	*			trans	-51.8	115.4	168.3	0	0	0	0	0	107.6	V110 G114	V110-A112 PolarHBondContact O-N 3.32Å; A112-G114 PolarHBondContact O-N 3.15Å
113	V	32.3	Very low	33.9	Very low	145 Å²	145	119.1 Å²	119.1	88%	0.879	73%	0.732	S	S	*	*	S	Bend	trans	-39.8	121	173.7	178.1	0	0	0	0	109.1	N111 A115	N111-V113 PolarHBondContact O-N 3.09Å; V113-A115 PolarHBondContact O-N 3.47Å
114	G	29	Very low	36.1	Very low	69 Å²	69	121.4 Å²	121.4	71%	0.711	72%	0.723	S	S	*	*			trans	22.4	90.9	169.5	0	0	0	0	0	115.4	A112 F116	A112-G114 PolarHBondContact O-N 3.15Å; G114-F116 PolarHBondContact O-N 3.24Å
115	A	27.6	Very low	38.5	Very low	97 Å²	97	117.9 Å²	117.9	80%	0.802	69%	0.694	S	S	*	*			trans	-52.7	108.6	161.7	0	0	0	0	0	107.9	V113 K117	V113-A115 PolarHBondContact O-N 3.47Å; A115-K117 PolarHBondContact O-N 3.27Å
116	F	30.4	Very low	41	Very low	124 Å²	124	111.8 Å²	111.8	54%	0.544	67%	0.671	S	S	.	*			trans	-40.5	111.2	171.6	-163.2	-95	0	0	0	107.6	G114 P118	G114-F116 PolarHBondContact O-N 3.24Å; F116-P118 WeakPolarHBondContact O-CD 3.18Å; F116-P118 VanDerWaalsContact O-N 3.16Å
117	K	26.1	Very low	44	Very low	195 Å²	195	112.1 Å²	112.1	85%	0.848	66%	0.655	S	S	*	*			trans	-72.5	102.4	166.6	-104.8	-179.6	177.7	174.3	0	104.3	A115	A115-K117 PolarHBondContact O-N 3.27Å
118	P	34.4	Very low	46.9	Very low	80 Å²	80	108.8 Å²	108.8	52%	0.519	64%	0.636	S	S	.	*			trans	-55.9	144.2	173	26.3	-34	0	0	0	108.1	F116 D120	F116-P118 WeakPolarHBondContact O-CD 3.18Å; F116-P118 VanDerWaalsContact O-N 3.16Å; P118-D120 PolarHBondContact O-N 2.9Å
119	P	36.6	Very low	49.7	Very low	115 Å²	115	108.5 Å²	108.5	75%	0.747	63%	0.627	S	S	*	*	S	Bend	trans	-46.7	129.4	179.3	19.2	-32	0	0	0	109.1	A121	P119-A121 PolarHBondContact O-N 2.96Å
120	D	41.1	Very low	52.4	Low	160 Å²	160	103.3 Å²	103.3	86%	0.856	59%	0.594	S	S	*	*	S	Bend	trans	-3.8	100.2	-171.4	-74.4	-34.4	0	0	0	113.1	P118 K122	P118-D120 PolarHBondContact O-N 2.9Å; D120-K122 PolarHBondContact O-N 3.16Å
121	A	46.5	Very low	55.3	Low	82 Å²	82	96.6 Å²	96.6	68%	0.678	55%	0.554	S	S	*	*			trans	-42.6	106	-175.2	0	0	0	0	0	109.9	P119 V123	P119-A121 PolarHBondContact O-N 2.96Å; A121-V123 PolarHBondContact O-N 2.93Å; A121-V123 VanDerWaalsContact O-N 3.11Å
122	K	56.8	Low	58.4	Low	81 Å²	81	90.8 Å²	90.8	35%	0.352	52%	0.522	S	S	.	.			trans	-44.3	126.6	171.2	-73.1	-171.1	176	-165.4	0	106.9	D120 K124	D120-K122 PolarHBondContact O-N 3.16Å; K122-K124 WeakPolarHBondContact O-CG 2.97Å; K122-K124 PolarHBondContact O-N 3.06Å
123	V	63.4	Low	61.3	Low	108 Å²	108	87 Å²	87	66%	0.655	49%	0.489	S	S	*	.			trans	-63.5	102.2	179.9	177.3	0	0	0	0	106.9	A121	A121-V123 PolarHBondContact O-N 2.93Å; A121-V123 VanDerWaalsContact O-N 3.11Å
124	K	75.4	Confident	64	Low	116 Å²	116	80.1 Å²	80.1	50%	0.504	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-88.7	136.9	-177	-72.1	-173.7	178.9	-170	0	110.4	K122 D351 L352 A353	K122-K124 WeakPolarHBondContact O-CG 2.97Å; K122-K124 PolarHBondContact O-N 3.06Å; K124-D351 CarbonylContact C-O 3.53Å; K124-D351 WeakPolarHBondContact CA-O 3.18Å; K124-D351 WeakPolarHBondContact CB-O 3.46Å; K124-L352 WeakPolarHBondContact CD-O 3.43Å; K124-A353 HydrophobicContact CB-CB 4.04Å
125	F	78.8	Confident	67	Low	38 Å²	38	76.9 Å²	76.9	17%	0.167	41%	0.413	C	S	.	.	B	Isolated β-bridge	trans	-80.9	142.3	179.5	-56.4	-69.5	0	0	0	111.6	S273 I348 D351 L352 A353	F125-S273 WeakPolarHBondContact CE1-OG 3.36Å; F125-I348 HydrophobicContact CD2-CD1 4.31Å; F125-D351 HydrophobicContact CD2-CB 3.94Å; F125-D351 HydrophobicContact CE2-CB 4.11Å; F125-D351 PolarHBondContact N-O 3.03Å; F125-L352 HydrophobicContact CB-CD2 4.27Å; F125-L352 WeakPolarHBondContact O-CA 3.4Å; F125-A353 PolarHBondContact O-N 3.37Å
126	G	85	Confident	70.1	Confident	39 Å²	39	72.7 Å²	72.7	40%	0.402	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-76.3	168.9	168	0	0	0	0	0	112.2	I128 R129 G130	G126-I128 VanDerWaalsContact C-N 3.3Å; G126-I128 PolarHBondContact O-N 3.27Å; G126-R129 PolarHBondContact O-N 2.58Å; G126-G130 PolarHBondContact O-N 3.46Å
127	W	90.9	Very high	72.9	Confident	89 Å²	89	66.8 Å²	66.8	34%	0.337	35%	0.351	S	S	.	.	H	α-helix	trans	-61.4	-31.4	-174.6	73.5	-89.5	0	0	0	114.6	V131 L132 S358 K361 L365	W127-V131 WeakPolarHBondContact O-CA 3.47Å; W127-V131 WeakPolarHBondContact O-CB 3.45Å; W127-V131 PolarHBondContact O-N 3.03Å; W127-V131 VanDerWaalsContact O-N 3.13Å; W127-L132 HydrophobicContact CE3-CB 4.28Å; W127-L132 HydrophobicContact CH2-CD2 4.38Å; W127-L132 HydrophobicContact CZ3-CB 4.19Å; W127-L132 HydrophobicContact CZ3-CD2 3.87Å; W127-L132 PolarHBondContact O-N 2.86Å; W127-S358 VanDerWaalsContact CB-CB 3.5Å; W127-K361 HydrophobicContact CE3-CB 4.19Å; W127-L365 HydrophobicContact CH2-CD2 4.21Å; W127-L365 HydrophobicContact CZ3-CD2 4.1Å
128	I	90	Very high	75.9	Confident	84 Å²	84	57.6 Å²	57.6	43%	0.431	31%	0.312	S	S	.	.	I	π-helix	trans	-69.4	-57.2	179.4	-59.3	177	0	0	0	110.2	G126 L132 I133	G126-I128 VanDerWaalsContact C-N 3.3Å; G126-I128 PolarHBondContact O-N 3.27Å; I128-L132 HydrophobicContact CG2-CD2 4.47Å; I128-L132 WeakPolarHBondContact O-CB 3.09Å; I128-L132 PolarHBondContact O-N 3.37Å; I128-I133 HydrophobicContact CG2-CD1 4.02Å; I128-I133 HydrophobicContact CG2-CG1 4.25Å; I128-I133 WeakPolarHBondContact O-CG1 3.36Å; I128-I133 PolarHBondContact O-N 3.02Å
129	R	84.4	Confident	78.6	Confident	167 Å²	167	53.9 Å²	53.9	63%	0.63	29%	0.288	S	S	*	.	I	π-helix	trans	-70.7	-44.1	-177.1	-69.2	-175	-179.9	173.8	0.4	112.1	G126	G126-R129 PolarHBondContact O-N 2.58Å
130	G	83.9	Confident	81.1	Confident	2 Å²	2	48.7 Å²	48.7	2%	0.021	25%	0.254	C	S	.	.	I	π-helix	trans	-82.1	-27.1	-173.2	0	0	0	0	0	114.7	G126 I348	G126-G130 PolarHBondContact O-N 3.46Å; G130-I348 WeakPolarHBondContact O-CD1 3.38Å
131	V	90.8	Very high	83.2	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.213	C	C	.	.	I	π-helix	trans	-120.6	-60	-175.6	-171.7	0	0	0	0	111.4	W127 R134 C135 L352 I359	W127-V131 WeakPolarHBondContact O-CA 3.47Å; W127-V131 WeakPolarHBondContact O-CB 3.45Å; W127-V131 PolarHBondContact O-N 3.03Å; W127-V131 VanDerWaalsContact O-N 3.13Å; V131-R134 PolarHBondContact O-N 2.94Å; V131-C135 VanDerWaalsContact O-CB 3.25Å; V131-C135 WeakPolarHBondContact O-CB 3.15Å; V131-C135 PolarHBondContact O-N 2.92Å; V131-C135 PolarHBondContact O-SG 2.91Å; V131-L352 HydrophobicContact CG2-CD1 3.53Å; V131-L352 HydrophobicContact CG2-CD2 3.76Å; V131-L352 HydrophobicContact CG2-CG 4.32Å; V131-I359 HydrophobicContact CG2-CG1 4.44Å
132	L	92.8	Very high	84.8	Confident	21 Å²	21	37.4 Å²	37.4	11%	0.11	18%	0.182	C	C	.	.	I	π-helix	trans	-60.4	-58.6	-171.8	178.4	65.2	0	0	0	112.4	W127 I128 R134 C135 I136 G362 L365	W127-L132 HydrophobicContact CE3-CB 4.28Å; W127-L132 HydrophobicContact CH2-CD2 4.38Å; W127-L132 HydrophobicContact CZ3-CB 4.19Å; W127-L132 HydrophobicContact CZ3-CD2 3.87Å; W127-L132 PolarHBondContact O-N 2.86Å; I128-L132 HydrophobicContact CG2-CD2 4.47Å; I128-L132 WeakPolarHBondContact O-CB 3.09Å; I128-L132 PolarHBondContact O-N 3.37Å; L132-R134 VanDerWaalsContact C-N 3.29Å; L132-R134 PolarHBondContact O-N 2.61Å; L132-C135 PolarHBondContact O-N 3.14Å; L132-I136 HydrophobicContact CD1-CD1 3.84Å; L132-I136 HydrophobicContact CD1-CG1 4.33Å; L132-I136 HydrophobicContact CG-CD1 3.89Å; L132-I136 WeakPolarHBondContact O-CG1 3.22Å; L132-I136 PolarHBondContact O-N 3.32Å; L132-G362 WeakPolarHBondContact CD1-O 3.46Å; L132-L365 HydrophobicContact CD1-CB 3.87Å; L132-L365 HydrophobicContact CD1-CD2 3.97Å; L132-L365 HydrophobicContact CD1-CG 3.83Å; L132-L365 HydrophobicContact CD2-CD2 3.89Å
133	I	90.7	Very high	86.1	Confident	14 Å²	14	33.9 Å²	33.9	7%	0.072	17%	0.167	C	C	.	.	H	α-helix	trans	-60.1	-45.1	-177.6	-70	175	0	0	0	109.7	I128 C135 I136 L137 L277 F280	I128-I133 HydrophobicContact CG2-CD1 4.02Å; I128-I133 HydrophobicContact CG2-CG1 4.25Å; I128-I133 WeakPolarHBondContact O-CG1 3.36Å; I128-I133 PolarHBondContact O-N 3.02Å; I133-C135 PolarHBondContact O-N 2.83Å; I133-I136 PolarHBondContact O-N 3.42Å; I133-L137 HydrophobicContact CG2-CD1 3.56Å; I133-L137 HydrophobicContact CG2-CG 4.12Å; I133-L137 WeakPolarHBondContact O-CB 3.28Å; I133-L137 VanDerWaalsContact O-CG 3.22Å; I133-L137 WeakPolarHBondContact O-CG 3.39Å; I133-L137 PolarHBondContact O-N 3.04Å; I133-L277 HydrophobicContact CD1-CD1 3.76Å; I133-F280 HydrophobicContact CG2-CB 4Å; I133-F280 HydrophobicContact CG2-CD2 3.92Å; I133-F280 HydrophobicContact CG2-CG 3.94Å
134	R	89.3	Confident	87.2	Confident	2 Å²	2	28.7 Å²	28.7	1%	0.008	14%	0.136	C	C	.	.	H	α-helix	trans	-61.5	-43.5	179.5	-160.6	176.7	-175.9	90.8	-0.9	112.9	V131 L132 N138 E272 E276 A344 T445	V131-R134 PolarHBondContact O-N 2.94Å; L132-R134 VanDerWaalsContact C-N 3.29Å; L132-R134 PolarHBondContact O-N 2.61Å; R134-N138 VanDerWaalsContact O-CB 3.25Å; R134-N138 WeakPolarHBondContact O-CB 3.22Å; R134-N138 PolarHBondContact O-N 3.44Å; R134-E272 IonicContact CZ-OE1 3.28Å; R134-E272 IonicContact NH1-OE1 3.52Å; R134-E272 PolarHBondContact NH1-OE1 3.03Å; R134-E272 IonicContact NH1-OE2 3.64Å; R134-E272 PolarHBondContact NH1-OE2 3.23Å; R134-E272 IonicContact NH2-OE1 2.89Å; R134-E272 PolarHBondContact NH2-OE1 2.97Å; R134-E276 IonicContact CZ-OE1 3.79Å; R134-E276 IonicContact CZ-OE2 3.11Å; R134-E276 IonicContact NH1-OE1 2.65Å; R134-E276 PolarHBondContact NH1-OE1 3.45Å; R134-E276 IonicContact NH1-OE2 3.34Å; R134-E276 PolarHBondContact NH1-OE2 2.94Å; R134-E276 IonicContact NH2-OE1 3.23Å; R134-A344 HydrophobicContact CG-CB 4.17Å; R134-T445 HydrophobicContact CG-CG2 3.86Å; R134-T445 PolarHBondContact NH2-O 3.1Å
135	C	91.4	Very high	87.7	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-64.8	-42.6	174.1	-73.8	0	0	0	0	111.4	V131 L132 I133 I139	V131-C135 VanDerWaalsContact O-CB 3.25Å; V131-C135 WeakPolarHBondContact O-CB 3.15Å; V131-C135 PolarHBondContact O-N 2.92Å; V131-C135 PolarHBondContact O-SG 2.91Å; L132-C135 PolarHBondContact O-N 3.14Å; I133-C135 PolarHBondContact O-N 2.83Å; C135-I139 VanDerWaalsContact O-CB 3.28Å; C135-I139 WeakPolarHBondContact O-CB 3.36Å; C135-I139 WeakPolarHBondContact O-CD1 3.47Å; C135-I139 WeakPolarHBondContact O-CG1 3.42Å; C135-I139 PolarHBondContact O-N 3.22Å
136	I	92.5	Very high	87.9	Confident	9 Å²	9	21.6 Å²	21.6	5%	0.046	11%	0.105	C	C	.	.	H	α-helix	trans	-61	-54.9	177.4	-68.2	167.3	0	0	0	110.1	L132 I133 N138 I139 L140 F280 V369 T370	L132-I136 HydrophobicContact CD1-CD1 3.84Å; L132-I136 HydrophobicContact CD1-CG1 4.33Å; L132-I136 HydrophobicContact CG-CD1 3.89Å; L132-I136 WeakPolarHBondContact O-CG1 3.22Å; L132-I136 PolarHBondContact O-N 3.32Å; I133-I136 PolarHBondContact O-N 3.42Å; I136-N138 VanDerWaalsContact C-N 3.3Å; I136-N138 PolarHBondContact O-N 2.87Å; I136-I139 PolarHBondContact O-N 3.21Å; I136-I139 VanDerWaalsContact O-N 3.13Å; I136-L140 HydrophobicContact CG2-CD1 3.85Å; I136-L140 HydrophobicContact CG2-CG 4.25Å; I136-L140 VanDerWaalsContact O-CG 3.3Å; I136-L140 WeakPolarHBondContact O-CG 3.47Å; I136-L140 PolarHBondContact O-N 3.48Å; I136-F280 HydrophobicContact CD1-CE2 4.49Å; I136-F280 HydrophobicContact CG2-CE2 4.19Å; I136-V369 HydrophobicContact CD1-CB 4.3Å; I136-V369 HydrophobicContact CD1-CG1 4.02Å; I136-V369 HydrophobicContact CG1-CG1 4.46Å; I136-T370 HydrophobicContact CB-CG2 4.18Å; I136-T370 HydrophobicContact CG1-CG2 4.1Å; I136-T370 HydrophobicContact CG2-CG2 4.03Å
137	L	89.5	Confident	88	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-54.5	-47.8	-179.3	-69.6	171.9	0	0	0	111.7	I133 I139 L140 G141 E276 F280 I283 S441 S442	I133-L137 HydrophobicContact CG2-CD1 3.56Å; I133-L137 HydrophobicContact CG2-CG 4.12Å; I133-L137 WeakPolarHBondContact O-CB 3.28Å; I133-L137 VanDerWaalsContact O-CG 3.22Å; I133-L137 WeakPolarHBondContact O-CG 3.39Å; I133-L137 PolarHBondContact O-N 3.04Å; L137-I139 VanDerWaalsContact C-N 3.34Å; L137-I139 PolarHBondContact O-N 3.33Å; L137-L140 PolarHBondContact O-N 3.45Å; L137-G141 PolarHBondContact O-N 3.27Å; L137-E276 HydrophobicContact CD1-CB 3.95Å; L137-E276 HydrophobicContact CD1-CG 4.42Å; L137-F280 HydrophobicContact CD1-CB 4.22Å; L137-F280 HydrophobicContact CD2-CB 3.97Å; L137-F280 HydrophobicContact CD2-CD2 4.01Å; L137-F280 HydrophobicContact CG-CB 4.42Å; L137-F280 HydrophobicContact CG-CD2 4.25Å; L137-I283 HydrophobicContact CD2-CD1 3.34Å; L137-S441 WeakPolarHBondContact CD1-OG 3.32Å; L137-S442 PolarHBondContact O-OG 3.37Å; L137-S442 VanDerWaalsContact O-OG 3.14Å
138	N	89.5	Confident	87.7	Confident	2 Å²	2	16.3 Å²	16.3	1%	0.011	7%	0.073	C	C	.	.	H	α-helix	trans	-73.3	-25.2	-177.5	-154.7	52.7	0	0	0	113.2	R134 I136 Y219 G341 A344 S442 T445	R134-N138 VanDerWaalsContact O-CB 3.25Å; R134-N138 WeakPolarHBondContact O-CB 3.22Å; R134-N138 PolarHBondContact O-N 3.44Å; I136-N138 VanDerWaalsContact C-N 3.3Å; I136-N138 PolarHBondContact O-N 2.87Å; N138-Y219 PolarHBondContact O-OH 3.16Å; N138-Y219 VanDerWaalsContact OD1-CE1 3.31Å; N138-Y219 WeakPolarHBondContact OD1-CE1 3.45Å; N138-G341 VanDerWaalsContact ND2-CA 3.32Å; N138-G341 WeakPolarHBondContact ND2-CA 3.38Å; N138-A344 HydrophobicContact CB-CB 3.79Å; N138-S442 WeakPolarHBondContact OD1-CB 3.45Å; N138-T445 HydrophobicContact CB-CG2 4.29Å
139	I	91.3	Very high	87.6	Confident	3 Å²	3	12.5 Å²	12.5	2%	0.015	6%	0.055	C	C	.	.	H	α-helix	trans	-77.1	-37.7	174.3	-72.2	165.4	0	0	0	111.2	C135 I136 L137 S338 I342 T370 Y374	C135-I139 VanDerWaalsContact O-CB 3.28Å; C135-I139 WeakPolarHBondContact O-CB 3.36Å; C135-I139 WeakPolarHBondContact O-CD1 3.47Å; C135-I139 WeakPolarHBondContact O-CG1 3.42Å; C135-I139 PolarHBondContact O-N 3.22Å; I136-I139 PolarHBondContact O-N 3.21Å; I136-I139 VanDerWaalsContact O-N 3.13Å; L137-I139 VanDerWaalsContact C-N 3.34Å; L137-I139 PolarHBondContact O-N 3.33Å; I139-S338 CarbonylContact C-O 3.58Å; I139-S338 WeakPolarHBondContact CA-O 3.17Å; I139-S338 WeakPolarHBondContact CG2-O 3.37Å; I139-S338 CarbonylContact O-C 3.46Å; I139-S338 WeakPolarHBondContact O-CA 3.35Å; I139-I342 HydrophobicContact CD1-CG2 3.86Å; I139-I342 HydrophobicContact CG1-CG2 4.46Å; I139-T370 HydrophobicContact CB-CG2 3.85Å; I139-T370 HydrophobicContact CD1-CG2 4.28Å; I139-T370 VanDerWaalsContact CG2-CB 3.48Å; I139-T370 HydrophobicContact CG2-CG2 3.64Å; I139-T370 WeakPolarHBondContact CG2-OG1 3.29Å; I139-Y374 HydrophobicContact CG2-CE2 3.92Å; I139-Y374 PolarHBondContact O-OH 3.07Å
140	L	89.2	Confident	87.7	Confident	6 Å²	6	5.5 Å²	5.5	3%	0.031	3%	0.028	C	C	.	.	H	α-helix	trans	-64.9	-52	179.9	-64.8	178.2	0	0	0	111.3	I136 L137 L144 I283 T370 L373 Y374 T438	I136-L140 HydrophobicContact CG2-CD1 3.85Å; I136-L140 HydrophobicContact CG2-CG 4.25Å; I136-L140 VanDerWaalsContact O-CG 3.3Å; I136-L140 WeakPolarHBondContact O-CG 3.47Å; I136-L140 PolarHBondContact O-N 3.48Å; L137-L140 PolarHBondContact O-N 3.45Å; L140-L144 HydrophobicContact CB-CB 4.33Å; L140-L144 HydrophobicContact CB-CD2 4.25Å; L140-L144 HydrophobicContact CD1-CD2 4.29Å; L140-L144 HydrophobicContact CD2-CD1 4.1Å; L140-L144 HydrophobicContact CD2-CD2 3.9Å; L140-L144 HydrophobicContact CD2-CG 4.43Å; L140-L144 HydrophobicContact CG-CD2 4.34Å; L140-L144 WeakPolarHBondContact O-CB 3.05Å; L140-L144 PolarHBondContact O-N 3.08Å; L140-L144 VanDerWaalsContact O-N 3.08Å; L140-I283 HydrophobicContact CD1-CG2 3.9Å; L140-T370 HydrophobicContact CD2-CG2 4.18Å; L140-T370 HydrophobicContact CG-CG2 4.45Å; L140-L373 HydrophobicContact CD1-CD1 4.35Å; L140-L373 HydrophobicContact CD2-CB 4.37Å; L140-L373 HydrophobicContact CD2-CD1 3.96Å; L140-Y374 WeakPolarHBondContact CA-OH 3.44Å; L140-Y374 HydrophobicContact CD2-CE2 4.18Å; L140-Y374 PolarHBondContact O-OH 2.84Å; L140-T438 HydrophobicContact CB-CG2 3.76Å
141	G	84.4	Confident	88	Confident	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	47.1	-163.2	176.9	0	0	0	0	0	115.8	L137 T143 N223 T438	L137-G141 PolarHBondContact O-N 3.27Å; G141-T143 PolarHBondContact O-N 3.29Å; G141-N223 WeakPolarHBondContact CA-OD1 3.32Å; G141-T438 VanDerWaalsContact C-CG2 3.46Å; G141-T438 VanDerWaalsContact CA-CG2 3.49Å; G141-T438 WeakPolarHBondContact O-CG2 3.41Å
142	A	81.5	Confident	87.9	Confident	4 Å²	4	5.4 Å²	5.4	3%	0.033	3%	0.027	C	C	.	.	H	α-helix	trans	-62.2	-28.2	171.8	0	0	0	0	0	112.6	L144 L146 N223 C439	A142-L144 VanDerWaalsContact C-N 3.34Å; A142-L144 PolarHBondContact O-N 2.83Å; A142-L146 HydrophobicContact CB-CD1 4.35Å; A142-L146 WeakPolarHBondContact O-CB 3.16Å; A142-L146 PolarHBondContact O-N 3.14Å; A142-L146 VanDerWaalsContact O-N 3.09Å; A142-N223 PolarHBondContact N-OD1 3.18Å; A142-C439 VanDerWaalsContact CB-SG 3.55Å
143	T	83.4	Confident	87.7	Confident	7 Å²	7	4.4 Å²	4.4	4%	0.043	2%	0.022	C	C	.	.	H	α-helix	trans	-67.3	-31.7	-170.4	-34	0	0	0	0	113.3	G141 Y145 R147 L148 S338	G141-T143 PolarHBondContact O-N 3.29Å; T143-Y145 PolarHBondContact O-N 3.43Å; T143-R147 HydrophobicContact CG2-CB 3.56Å; T143-R147 HydrophobicContact CG2-CG 3.97Å; T143-R147 WeakPolarHBondContact O-CB 3.36Å; T143-R147 PolarHBondContact O-N 3.14Å; T143-L148 PolarHBondContact O-N 3.07Å; T143-S338 WeakPolarHBondContact CB-OG 3.04Å; T143-S338 WeakPolarHBondContact CG2-OG 3.27Å; T143-S338 PolarHBondContact OG1-OG 3.34Å
144	L	86.4	Confident	87.7	Confident	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-55.1	-53.8	179.1	-178.1	72	0	0	0	111.3	L140 A142 L148 Y287 Y374	L140-L144 HydrophobicContact CB-CB 4.33Å; L140-L144 HydrophobicContact CB-CD2 4.25Å; L140-L144 HydrophobicContact CD1-CD2 4.29Å; L140-L144 HydrophobicContact CD2-CD1 4.1Å; L140-L144 HydrophobicContact CD2-CD2 3.9Å; L140-L144 HydrophobicContact CD2-CG 4.43Å; L140-L144 HydrophobicContact CG-CD2 4.34Å; L140-L144 WeakPolarHBondContact O-CB 3.05Å; L140-L144 PolarHBondContact O-N 3.08Å; L140-L144 VanDerWaalsContact O-N 3.08Å; A142-L144 VanDerWaalsContact C-N 3.34Å; A142-L144 PolarHBondContact O-N 2.83Å; L144-L148 HydrophobicContact CD1-CD2 4.24Å; L144-L148 WeakPolarHBondContact O-CB 3.23Å; L144-Y287 HydrophobicContact CD1-CE2 4.25Å; L144-Y287 HydrophobicContact CD2-CD2 3.95Å; L144-Y287 HydrophobicContact CD2-CE2 4.19Å; L144-Y374 HydrophobicContact CB-CE1 4.2Å; L144-Y374 HydrophobicContact CD1-CD1 3.91Å; L144-Y374 HydrophobicContact CD1-CE1 3.72Å; L144-Y374 HydrophobicContact CD1-CG 4.49Å
145	Y	85.7	Confident	87.7	Confident	3 Å²	3	3.8 Å²	3.8	1%	0.012	2%	0.019	C	C	.	.	H	α-helix	trans	-87	-42	-174.6	-67.3	-79.9	0	0	0	112.9	T143 S286 M421 V431 I435	T143-Y145 PolarHBondContact O-N 3.43Å; Y145-S286 WeakPolarHBondContact OH-CB 3.42Å; Y145-S286 PolarHBondContact OH-OG 2.89Å; Y145-M421 HydrophobicContact CD1-CB 4.15Å; Y145-M421 HydrophobicContact CD1-CE 4.09Å; Y145-M421 HydrophobicContact CD1-SD 4.4Å; Y145-M421 HydrophobicContact CE1-CE 4.26Å; Y145-V431 HydrophobicContact CD1-CG1 3.88Å; Y145-V431 HydrophobicContact CE1-CG1 3.76Å; Y145-I435 HydrophobicContact CD1-CG1 4.11Å; Y145-I435 HydrophobicContact CD2-CG1 4.04Å; Y145-I435 HydrophobicContact CG-CG1 3.66Å
146	L	83.3	Confident	87.8	Confident	2 Å²	2	3.8 Å²	3.8	1%	0.01	2%	0.019	C	C	.	.	H	α-helix	trans	-87.4	-15	-169	-61	179.9	0	0	0	114.2	A142 N418 I435	A142-L146 HydrophobicContact CB-CD1 4.35Å; A142-L146 WeakPolarHBondContact O-CB 3.16Å; A142-L146 PolarHBondContact O-N 3.14Å; A142-L146 VanDerWaalsContact O-N 3.09Å; L146-N418 WeakPolarHBondContact CA-O 3.35Å; L146-N418 WeakPolarHBondContact O-CB 3.37Å; L146-I435 HydrophobicContact CD2-CD1 4.41Å; L146-I435 HydrophobicContact CD2-CG2 4.22Å; L146-I435 HydrophobicContact CG-CG2 4.34Å
147	R	86.2	Confident	87.8	Confident	15 Å²	15	3.3 Å²	3.3	6%	0.057	2%	0.017	C	C	.	.	H	α-helix	trans	-128.3	-16.4	-172.5	-61.8	-66	173.8	-178.7	-8.5	114.3	T143 G149 W150 V151 E229 I334 L499 N500	T143-R147 HydrophobicContact CG2-CB 3.56Å; T143-R147 HydrophobicContact CG2-CG 3.97Å; T143-R147 WeakPolarHBondContact O-CB 3.36Å; T143-R147 PolarHBondContact O-N 3.14Å; R147-G149 PolarHBondContact O-N 3.08Å; R147-W150 WeakPolarHBondContact O-CB 3.43Å; R147-W150 PolarHBondContact O-N 3.42Å; R147-V151 WeakPolarHBondContact O-CG2 3.37Å; R147-V151 PolarHBondContact O-N 3.23Å; R147-E229 IonicContact NH2-OE2 2.73Å; R147-I334 HydrophobicContact CG-CG2 4.24Å; R147-L499 VanDerWaalsContact NH2-CD2 3.31Å; R147-N500 PolarHBondContact NH1-OD1 3.43Å
148	L	86.6	Confident	88	Confident	1 Å²	1	5.4 Å²	5.4	1%	0.005	3%	0.034	C	C	.	.	H	α-helix	trans	-67.3	-38.8	-177.2	-159	63.2	0	0	0	112.6	T143 L144 W150 V151 A152 Y374 G377 I378 M421	T143-L148 PolarHBondContact O-N 3.07Å; L144-L148 HydrophobicContact CD1-CD2 4.24Å; L144-L148 WeakPolarHBondContact O-CB 3.23Å; L148-W150 VanDerWaalsContact C-N 3.33Å; L148-W150 PolarHBondContact O-N 2.93Å; L148-V151 PolarHBondContact O-N 2.86Å; L148-A152 WeakPolarHBondContact O-CB 3.15Å; L148-A152 PolarHBondContact O-N 2.75Å; L148-Y374 HydrophobicContact CD1-CD1 3.68Å; L148-Y374 HydrophobicContact CD1-CE1 4.25Å; L148-Y374 HydrophobicContact CD2-CD1 4.19Å; L148-G377 VanDerWaalsContact CD2-CA 3.46Å; L148-I378 HydrophobicContact CD1-CD1 3.82Å; L148-I378 HydrophobicContact CD1-CG1 3.31Å; L148-I378 HydrophobicContact CD2-CG1 4.24Å; L148-I378 HydrophobicContact CG-CG1 3.67Å; L148-M421 HydrophobicContact CB-SD 4.1Å; L148-M421 HydrophobicContact CD2-SD 4.18Å
149	G	86.5	Confident	88.1	Confident	5 Å²	5	7.1 Å²	7.1	5%	0.052	4%	0.043	C	C	.	.	H	α-helix	trans	-58.4	-45.6	170.2	0	0	0	0	0	111.6	R147 V151 A152 G153 L414	R147-G149 PolarHBondContact O-N 3.08Å; G149-V151 PolarHBondContact O-N 3.3Å; G149-A152 CarbonylContact O-C 3.5Å; G149-A152 PolarHBondContact O-N 2.88Å; G149-G153 PolarHBondContact O-N 3.44Å; G149-L414 CarbonylContact C-O 3.47Å
150	W	87.9	Confident	88.2	Confident	19 Å²	19	7 Å²	7	7%	0.072	4%	0.042	C	C	.	.	H	α-helix	trans	-62.9	-39.9	177.2	-178.2	93.2	0	0	0	113.3	R147 L148 G153 H154 E326 V331 I334 L414	R147-W150 WeakPolarHBondContact O-CB 3.43Å; R147-W150 PolarHBondContact O-N 3.42Å; L148-W150 VanDerWaalsContact C-N 3.33Å; L148-W150 PolarHBondContact O-N 2.93Å; W150-G153 PolarHBondContact O-N 2.82Å; W150-H154 AromaticContact CD1-CE1 3.7Å; W150-H154 AromaticContact CD1-ND1 3.7Å; W150-H154 AromaticContact CD2-ND1 3.72Å; W150-H154 AromaticContact CE2-CE1 3.52Å; W150-H154 AromaticContact CE2-ND1 3.39Å; W150-H154 AromaticContact CG-ND1 3.93Å; W150-H154 AromaticContact CZ2-CE1 3.97Å; W150-H154 AromaticContact CZ2-ND1 3.88Å; W150-H154 AromaticContact NE1-CE1 3.14Å; W150-H154 PolarHBondContact NE1-CE1 3.23Å; W150-H154 AromaticContact NE1-ND1 3.38Å; W150-H154 PolarHBondContact NE1-ND1 3.16Å; W150-H154 PolarHBondContact O-N 3.06Å; W150-H154 PolarHBondContact O-ND1 2.71Å; W150-E326 HydrophobicContact CH2-CG 4.29Å; W150-E326 HydrophobicContact CZ2-CG 3.73Å; W150-V331 HydrophobicContact CH2-CB 4.28Å; W150-V331 HydrophobicContact CH2-CG2 3.63Å; W150-V331 HydrophobicContact CZ3-CB 4.01Å; W150-V331 HydrophobicContact CZ3-CG1 3.91Å; W150-V331 HydrophobicContact CZ3-CG2 3.7Å; W150-I334 HydrophobicContact CE3-CG2 4.38Å; W150-I334 HydrophobicContact CH2-CD1 3.36Å; W150-I334 HydrophobicContact CZ2-CD1 3.97Å; W150-I334 HydrophobicContact CZ3-CB 4.12Å; W150-I334 HydrophobicContact CZ3-CD1 3.79Å; W150-I334 HydrophobicContact CZ3-CG2 4.07Å; W150-L414 WeakPolarHBondContact CA-O 3.44Å
151	V	89.3	Confident	88.5	Confident	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-63.4	-47.4	173.3	171.9	0	0	0	0	110.2	R147 L148 G149 G153 A155 V331 I378	R147-V151 WeakPolarHBondContact O-CG2 3.37Å; R147-V151 PolarHBondContact O-N 3.23Å; L148-V151 PolarHBondContact O-N 2.86Å; G149-V151 PolarHBondContact O-N 3.3Å; V151-G153 VanDerWaalsContact C-N 3.29Å; V151-G153 PolarHBondContact O-N 2.88Å; V151-A155 VanDerWaalsContact O-CB 3.27Å; V151-A155 WeakPolarHBondContact O-CB 3.22Å; V151-A155 PolarHBondContact O-N 3.4Å; V151-V331 HydrophobicContact CB-CG1 4.27Å; V151-V331 HydrophobicContact CG1-CG1 3.97Å; V151-V331 HydrophobicContact CG2-CG1 3.97Å; V151-I378 HydrophobicContact CG1-CD1 4.25Å
152	A	89.1	Confident	88.9	Confident	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-63.6	-34.9	177.2	0	0	0	0	0	112	L148 G149 G156 I378	L148-A152 WeakPolarHBondContact O-CB 3.15Å; L148-A152 PolarHBondContact O-N 2.75Å; G149-A152 CarbonylContact O-C 3.5Å; G149-A152 PolarHBondContact O-N 2.88Å; A152-G156 WeakPolarHBondContact O-CA 3.28Å; A152-G156 PolarHBondContact O-N 3.42Å; A152-I378 HydrophobicContact CB-CG2 4.3Å
153	G	88.1	Confident	89.4	Confident	0 Å²	0	12 Å²	12	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-64.3	-54.5	175.8	0	0	0	0	0	112.4	G149 W150 V151 R387	G149-G153 PolarHBondContact O-N 3.44Å; W150-G153 PolarHBondContact O-N 2.82Å; V151-G153 VanDerWaalsContact C-N 3.29Å; V151-G153 PolarHBondContact O-N 2.88Å; G153-R387 PolarHBondContact O-NE 3.32Å; G153-R387 PolarHBondContact O-NH2 3.47Å
154	H	90.1	Very high	89.9	Confident	3 Å²	3	11.6 Å²	11.6	1%	0.014	7%	0.07	C	C	.	.	H	α-helix	trans	-75.9	-53.1	-175.3	-78.6	88	0	0	0	113.2	W150 P321 L322 W323 S324 V331 L415	W150-H154 AromaticContact CD1-CE1 3.7Å; W150-H154 AromaticContact CD1-ND1 3.7Å; W150-H154 AromaticContact CD2-ND1 3.72Å; W150-H154 AromaticContact CE2-CE1 3.52Å; W150-H154 AromaticContact CE2-ND1 3.39Å; W150-H154 AromaticContact CG-ND1 3.93Å; W150-H154 AromaticContact CZ2-CE1 3.97Å; W150-H154 AromaticContact CZ2-ND1 3.88Å; W150-H154 AromaticContact NE1-CE1 3.14Å; W150-H154 PolarHBondContact NE1-CE1 3.23Å; W150-H154 AromaticContact NE1-ND1 3.38Å; W150-H154 PolarHBondContact NE1-ND1 3.16Å; W150-H154 PolarHBondContact O-N 3.06Å; W150-H154 PolarHBondContact O-ND1 2.71Å; H154-P321 CarbonylContact O-C 3.14Å; H154-P321 VanDerWaalsContact O-CA 3.29Å; H154-P321 WeakPolarHBondContact O-CA 3.31Å; H154-P321 VanDerWaalsContact O-CB 3.31Å; H154-P321 WeakPolarHBondContact O-CB 3.43Å; H154-L322 PolarHBondContact O-N 2.93Å; H154-W323 HydrophobicContact CB-CZ3 4.37Å; H154-S324 PolarHBondContact NE2-OG 3.34Å; H154-V331 HydrophobicContact CB-CG2 3.88Å; H154-L415 HydrophobicContact CB-CD2 4.44Å; H154-L415 VanDerWaalsContact CE1-CD2 3.41Å; H154-L415 WeakPolarHBondContact CE1-CD2 3.14Å; H154-L415 WeakPolarHBondContact ND1-CD2 3.48Å
155	A	90.5	Very high	90.3	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-80	-22.8	-177.2	0	0	0	0	0	112	V151 L159 I163 P321 V331	V151-A155 VanDerWaalsContact O-CB 3.27Å; V151-A155 WeakPolarHBondContact O-CB 3.22Å; V151-A155 PolarHBondContact O-N 3.4Å; A155-L159 HydrophobicContact CB-CB 4.09Å; A155-L159 HydrophobicContact CB-CD2 4.32Å; A155-L159 HydrophobicContact CB-CG 4.34Å; A155-L159 WeakPolarHBondContact O-CB 3.48Å; A155-I163 HydrophobicContact CB-CD1 4Å; A155-P321 WeakPolarHBondContact O-CA 3.16Å; A155-P321 WeakPolarHBondContact O-CB 3.12Å; A155-V331 HydrophobicContact CB-CG1 4.31Å
156	G	92.7	Very high	90.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	73.8	171.7	-166.3	0	0	0	0	0	112	A152 A158 G160 N318	A152-G156 WeakPolarHBondContact O-CA 3.28Å; A152-G156 PolarHBondContact O-N 3.42Å; G156-A158 PolarHBondContact O-N 2.88Å; G156-G160 WeakPolarHBondContact O-CA 3.48Å; G156-G160 PolarHBondContact O-N 3.29Å; G156-N318 CarbonylContact C-O 3.28Å; G156-N318 WeakPolarHBondContact CA-O 3.47Å
157	I	93	Very high	91.1	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-63.4	-43	-177.1	-58.6	172.5	0	0	0	111	T161 F315 N318 M319 I378 W379	I157-T161 WeakPolarHBondContact O-CB 3.37Å; I157-T161 PolarHBondContact O-N 3.38Å; I157-T161 PolarHBondContact O-OG1 3.27Å; I157-F315 HydrophobicContact CD1-CD2 3.64Å; I157-F315 HydrophobicContact CD1-CE2 3.75Å; I157-N318 HydrophobicContact CD1-CB 4.44Å; I157-N318 PolarHBondContact N-O 2.93Å; I157-M319 HydrophobicContact CB-SD 4.1Å; I157-M319 HydrophobicContact CD1-SD 4.24Å; I157-M319 HydrophobicContact CG2-SD 4.43Å; I157-I378 HydrophobicContact CG2-CG2 4.46Å; I157-W379 HydrophobicContact CG2-CD2 3.98Å; I157-W379 HydrophobicContact CG2-CG 3.96Å
158	A	93.3	Very high	91.5	Very high	43 Å²	43	19.8 Å²	19.8	36%	0.355	11%	0.111	S	C	.	.	H	α-helix	trans	-69.7	-52.1	-174.2	0	0	0	0	0	112.3	G156 T161 V162 M319	G156-A158 PolarHBondContact O-N 2.88Å; A158-T161 WeakPolarHBondContact O-CB 3.39Å; A158-T161 PolarHBondContact O-N 3.26Å; A158-V162 WeakPolarHBondContact O-CG2 3.42Å; A158-V162 PolarHBondContact O-N 3.46Å; A158-V162 VanDerWaalsContact O-N 3.13Å; A158-M319 HydrophobicContact CB-CE 4.39Å; A158-M319 WeakPolarHBondContact CB-O 3.47Å; A158-M319 PolarHBondContact N-O 2.94Å
159	L	92.7	Very high	91.9	Very high	39 Å²	39	23.7 Å²	23.7	20%	0.204	13%	0.132	C	C	.	.	H	α-helix	trans	-73.2	-32.7	179.7	-168.3	65.7	0	0	0	111.5	A155 T161 V162 I163 P321 W323 I328	A155-L159 HydrophobicContact CB-CB 4.09Å; A155-L159 HydrophobicContact CB-CD2 4.32Å; A155-L159 HydrophobicContact CB-CG 4.34Å; A155-L159 WeakPolarHBondContact O-CB 3.48Å; L159-T161 VanDerWaalsContact C-N 3.3Å; L159-T161 PolarHBondContact O-N 2.94Å; L159-V162 HydrophobicContact CD1-CB 4.39Å; L159-V162 WeakPolarHBondContact O-CB 3.27Å; L159-V162 PolarHBondContact O-N 3.44Å; L159-V162 VanDerWaalsContact O-N 3.14Å; L159-I163 HydrophobicContact CG-CD1 4.48Å; L159-I163 WeakPolarHBondContact O-CG1 3.19Å; L159-I163 PolarHBondContact O-N 2.81Å; L159-P321 HydrophobicContact CD2-CB 4.38Å; L159-P321 HydrophobicContact CD2-CG 4.42Å; L159-W323 HydrophobicContact CD2-CH2 3.79Å; L159-W323 HydrophobicContact CD2-CZ2 3.55Å; L159-I328 HydrophobicContact CD1-CD1 3.76Å; L159-I328 HydrophobicContact CD2-CB 4.47Å; L159-I328 HydrophobicContact CD2-CD1 3.94Å; L159-I328 HydrophobicContact CD2-CG1 4.03Å; L159-I328 HydrophobicContact CG-CD1 4.13Å; L159-I328 HydrophobicContact CG-CG1 4.42Å
160	G	92.5	Very high	92.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-57.2	-44.1	170	0	0	0	0	0	111.7	G156 V162 I163 V164	G156-G160 WeakPolarHBondContact O-CA 3.48Å; G156-G160 PolarHBondContact O-N 3.29Å; G160-V162 PolarHBondContact O-N 3.34Å; G160-I163 WeakPolarHBondContact O-CB 3.35Å; G160-I163 PolarHBondContact O-N 2.84Å; G160-V164 WeakPolarHBondContact O-CG2 3.5Å; G160-V164 PolarHBondContact O-N 2.7Å
161	T	94.7	Very high	92.6	Very high	24 Å²	24	22.8 Å²	22.8	15%	0.147	13%	0.127	C	C	.	.	H	α-helix	trans	-59.3	-44.3	173	-62.1	0	0	0	0	111.7	I157 A158 L159 I163 V164 L165 L375 W379	I157-T161 WeakPolarHBondContact O-CB 3.37Å; I157-T161 PolarHBondContact O-N 3.38Å; I157-T161 PolarHBondContact O-OG1 3.27Å; A158-T161 WeakPolarHBondContact O-CB 3.39Å; A158-T161 PolarHBondContact O-N 3.26Å; L159-T161 VanDerWaalsContact C-N 3.3Å; L159-T161 PolarHBondContact O-N 2.94Å; T161-I163 PolarHBondContact O-N 3.47Å; T161-V164 PolarHBondContact O-N 2.68Å; T161-L165 HydrophobicContact CG2-CD1 3.9Å; T161-L165 HydrophobicContact CG2-CG 4.33Å; T161-L165 WeakPolarHBondContact O-CB 3.48Å; T161-L165 VanDerWaalsContact O-CG 3.29Å; T161-L165 WeakPolarHBondContact O-CG 3.28Å; T161-L165 PolarHBondContact O-N 3.49Å; T161-L375 HydrophobicContact CG2-CD2 3.82Å; T161-W379 PolarHBondContact OG1-NE1 3.11Å
162	V	94.1	Very high	92.9	Very high	83 Å²	83	25 Å²	25	50%	0.503	14%	0.141	S	C	.	.	H	α-helix	trans	-61.7	-42.5	176.6	173.6	0	0	0	0	111.6	A158 L159 G160 L165 F166	A158-V162 WeakPolarHBondContact O-CG2 3.42Å; A158-V162 PolarHBondContact O-N 3.46Å; A158-V162 VanDerWaalsContact O-N 3.13Å; L159-V162 HydrophobicContact CD1-CB 4.39Å; L159-V162 WeakPolarHBondContact O-CB 3.27Å; L159-V162 PolarHBondContact O-N 3.44Å; L159-V162 VanDerWaalsContact O-N 3.14Å; G160-V162 PolarHBondContact O-N 3.34Å; V162-L165 PolarHBondContact O-N 2.89Å; V162-F166 VanDerWaalsContact O-CB 3.26Å; V162-F166 WeakPolarHBondContact O-CB 3.37Å; V162-F166 PolarHBondContact O-N 2.99Å
163	I	92.4	Very high	93.2	Very high	7 Å²	7	25.8 Å²	25.8	4%	0.036	15%	0.145	C	C	.	.	H	α-helix	trans	-60.2	-46.3	177	-73.8	169.6	0	0	0	110.8	A155 L159 G160 T161 S167 I328 V331 F332 Y335	A155-I163 HydrophobicContact CB-CD1 4Å; L159-I163 HydrophobicContact CG-CD1 4.48Å; L159-I163 WeakPolarHBondContact O-CG1 3.19Å; L159-I163 PolarHBondContact O-N 2.81Å; G160-I163 WeakPolarHBondContact O-CB 3.35Å; G160-I163 PolarHBondContact O-N 2.84Å; T161-I163 PolarHBondContact O-N 3.47Å; I163-S167 WeakPolarHBondContact O-CB 3.22Å; I163-S167 PolarHBondContact O-N 3.36Å; I163-S167 PolarHBondContact O-OG 3.45Å; I163-I328 HydrophobicContact CD1-CG1 4.3Å; I163-V331 HydrophobicContact CD1-CB 4.32Å; I163-V331 HydrophobicContact CD1-CG1 3.85Å; I163-F332 HydrophobicContact CG2-CD2 4.13Å; I163-Y335 HydrophobicContact CG2-CD1 3.85Å; I163-Y335 HydrophobicContact CG2-CG 4.06Å
164	V	93.3	Very high	93.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.7	-46.8	177.2	173.4	0	0	0	0	111.2	G160 T161 S167 T168 Y335 T371 L375 I378	G160-V164 WeakPolarHBondContact O-CG2 3.5Å; G160-V164 PolarHBondContact O-N 2.7Å; T161-V164 PolarHBondContact O-N 2.68Å; V164-S167 PolarHBondContact O-N 3.27Å; V164-T168 WeakPolarHBondContact O-CB 3.4Å; V164-T168 PolarHBondContact O-N 3.42Å; V164-T168 PolarHBondContact O-OG1 2.87Å; V164-Y335 HydrophobicContact CG2-CE1 4.25Å; V164-Y335 HydrophobicContact CG2-CE2 3.92Å; V164-T371 HydrophobicContact CG1-CG2 4.28Å; V164-L375 HydrophobicContact CB-CD2 3.92Å; V164-L375 HydrophobicContact CG1-CD2 3.74Å; V164-L375 HydrophobicContact CG1-CG 3.95Å; V164-L375 HydrophobicContact CG2-CD2 4.47Å; V164-I378 HydrophobicContact CG2-CD1 3.38Å
165	L	94.6	Very high	93.8	Very high	89 Å²	89	25.7 Å²	25.7	47%	0.466	15%	0.145	S	C	.	.	H	α-helix	trans	-66.4	-39.7	-179.4	-70.2	176.5	0	0	0	112.2	T161 V162 T168 L169 L375	T161-L165 HydrophobicContact CG2-CD1 3.9Å; T161-L165 HydrophobicContact CG2-CG 4.33Å; T161-L165 WeakPolarHBondContact O-CB 3.48Å; T161-L165 VanDerWaalsContact O-CG 3.29Å; T161-L165 WeakPolarHBondContact O-CG 3.28Å; T161-L165 PolarHBondContact O-N 3.49Å; V162-L165 PolarHBondContact O-N 2.89Å; L165-T168 WeakPolarHBondContact O-CB 3.38Å; L165-T168 PolarHBondContact O-N 3Å; L165-L169 PolarHBondContact O-N 3.32Å; L165-L375 HydrophobicContact CD2-CD1 4.26Å
166	F	93	Very high	94.1	Very high	82 Å²	82	27.3 Å²	27.3	36%	0.36	15%	0.153	S	C	.	.	H	α-helix	trans	-65.5	-42.3	176	-178.1	-111.2	0	0	0	111.9	V162 T168 L169 I170 F332	V162-F166 VanDerWaalsContact O-CB 3.26Å; V162-F166 WeakPolarHBondContact O-CB 3.37Å; V162-F166 PolarHBondContact O-N 2.99Å; F166-T168 VanDerWaalsContact C-N 3.31Å; F166-T168 PolarHBondContact O-N 3.1Å; F166-L169 WeakPolarHBondContact O-CB 3.25Å; F166-L169 PolarHBondContact O-N 3.46Å; F166-I170 HydrophobicContact CD1-CD1 4.2Å; F166-I170 HydrophobicContact CE1-CD1 3.67Å; F166-I170 HydrophobicContact CZ-CD1 3.9Å; F166-I170 PolarHBondContact O-N 3.07Å; F166-I170 VanDerWaalsContact O-N 3.14Å; F166-F332 AromaticContact CD1-CE2 3.78Å; F166-F332 HydrophobicContact CD1-CE2 3.78Å; F166-F332 AromaticContact CD1-CZ 3.81Å; F166-F332 HydrophobicContact CD1-CZ 3.81Å; F166-F332 HydrophobicContact CE1-CE1 4.21Å; F166-F332 HydrophobicContact CE1-CE2 4.17Å; F166-F332 AromaticContact CE1-CZ 3.71Å; F166-F332 HydrophobicContact CE1-CZ 3.71Å
167	S	92.8	Very high	94.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.2	-39.4	173.5	-54.7	0	0	0	0	112	I163 V164 L169 I170 T171 F332 Y335	I163-S167 WeakPolarHBondContact O-CB 3.22Å; I163-S167 PolarHBondContact O-N 3.36Å; I163-S167 PolarHBondContact O-OG 3.45Å; V164-S167 PolarHBondContact O-N 3.27Å; S167-L169 VanDerWaalsContact C-N 3.33Å; S167-I170 PolarHBondContact O-N 2.03Å; S167-T171 PolarHBondContact O-N 3.43Å; S167-T171 PolarHBondContact O-OG1 3.22Å; S167-F332 WeakPolarHBondContact OG-CE2 3.43Å; S167-Y335 WeakPolarHBondContact OG-CD1 3.31Å; S167-Y335 WeakPolarHBondContact OG-CE1 3.29Å
168	T	94.5	Very high	94.1	Very high	20 Å²	20	27.5 Å²	27.5	12%	0.123	15%	0.154	C	C	.	.	H	α-helix	trans	-64.4	-37.5	175.3	-58.1	0	0	0	0	111.1	V164 L165 F166 T171 T172 I367 T371	V164-T168 WeakPolarHBondContact O-CB 3.4Å; V164-T168 PolarHBondContact O-N 3.42Å; V164-T168 PolarHBondContact O-OG1 2.87Å; L165-T168 WeakPolarHBondContact O-CB 3.38Å; L165-T168 PolarHBondContact O-N 3Å; F166-T168 VanDerWaalsContact C-N 3.31Å; F166-T168 PolarHBondContact O-N 3.1Å; T168-T171 WeakPolarHBondContact CA-OG1 3.41Å; T168-T171 PolarHBondContact O-OG1 2.96Å; T168-T171 VanDerWaalsContact O-OG1 3.08Å; T168-T172 WeakPolarHBondContact O-CB 3.39Å; T168-T172 PolarHBondContact O-N 2.95Å; T168-T172 PolarHBondContact O-OG1 3.37Å; T168-I367 HydrophobicContact CG2-CG2 3.98Å; T168-T371 HydrophobicContact CG2-CG2 4.04Å; T168-T371 VanDerWaalsContact CG2-OG1 3.25Å; T168-T371 WeakPolarHBondContact CG2-OG1 3.45Å; T168-T371 WeakPolarHBondContact OG1-CG2 3.3Å; T168-T371 PolarHBondContact OG1-OG1 3.48Å
169	L	95.1	Very high	94.1	Very high	84 Å²	84	25.5 Å²	25.5	44%	0.44	14%	0.138	S	C	.	.	H	α-helix	trans	-61.7	-50.6	174.7	176.3	65.3	0	0	0	111.4	L165 F166 S167 T171 T172 L173	L165-L169 PolarHBondContact O-N 3.32Å; F166-L169 WeakPolarHBondContact O-CB 3.25Å; F166-L169 PolarHBondContact O-N 3.46Å; S167-L169 VanDerWaalsContact C-N 3.33Å; L169-T171 VanDerWaalsContact C-N 3.32Å; L169-T171 PolarHBondContact O-N 2.93Å; L169-T172 PolarHBondContact O-N 3.4Å; L169-L173 HydrophobicContact CD1-CD1 4.27Å; L169-L173 HydrophobicContact CD1-CG 4.29Å; L169-L173 HydrophobicContact CG-CD1 4.37Å; L169-L173 WeakPolarHBondContact O-CG 3.43Å; L169-L173 PolarHBondContact O-N 3.36Å
170	I	94.3	Very high	94.1	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-58.1	-46.3	179	-68.3	172.6	0	0	0	110.9	F166 S167 T174 F332 L511 A554	F166-I170 HydrophobicContact CD1-CD1 4.2Å; F166-I170 HydrophobicContact CE1-CD1 3.67Å; F166-I170 HydrophobicContact CZ-CD1 3.9Å; F166-I170 PolarHBondContact O-N 3.07Å; F166-I170 VanDerWaalsContact O-N 3.14Å; S167-I170 PolarHBondContact O-N 2.03Å; I170-T174 WeakPolarHBondContact O-CB 3.43Å; I170-T174 PolarHBondContact O-N 3.02Å; I170-T174 PolarHBondContact O-OG1 3.49Å; I170-F332 HydrophobicContact CD1-CZ 4.18Å; I170-L511 HydrophobicContact CG2-CD2 4.4Å; I170-A554 HydrophobicContact CD1-CB 4.48Å
171	T	94.2	Very high	94	Very high	3 Å²	3	24 Å²	24	2%	0.018	13%	0.13	C	C	.	.	H	α-helix	trans	-72	-35.3	-178.9	48.1	0	0	0	0	113.2	S167 T168 L169 T174 A175 V339 I342 F514	S167-T171 PolarHBondContact O-N 3.43Å; S167-T171 PolarHBondContact O-OG1 3.22Å; T168-T171 WeakPolarHBondContact CA-OG1 3.41Å; T168-T171 PolarHBondContact O-OG1 2.96Å; T168-T171 VanDerWaalsContact O-OG1 3.08Å; L169-T171 VanDerWaalsContact C-N 3.32Å; L169-T171 PolarHBondContact O-N 2.93Å; T171-T174 PolarHBondContact O-N 3.42Å; T171-A175 VanDerWaalsContact O-CB 3.25Å; T171-A175 WeakPolarHBondContact O-CB 3.1Å; T171-A175 PolarHBondContact O-N 2.93Å; T171-V339 HydrophobicContact CG2-CB 3.67Å; T171-V339 HydrophobicContact CG2-CG2 3.63Å; T171-V339 WeakPolarHBondContact CG2-O 3.31Å; T171-I342 HydrophobicContact CG2-CD1 4.26Å; T171-I342 HydrophobicContact CG2-CG2 4.28Å; T171-F514 HydrophobicContact CG2-CE2 4.15Å
172	T	95.5	Very high	93.7	Very high	47 Å²	47	22.8 Å²	22.8	29%	0.288	12%	0.123	S	C	.	.	H	α-helix	trans	-64.8	-46.9	174.7	-59.8	0	0	0	0	110.8	T168 L169 T174 A175 L176	T168-T172 WeakPolarHBondContact O-CB 3.39Å; T168-T172 PolarHBondContact O-N 2.95Å; T168-T172 PolarHBondContact O-OG1 3.37Å; L169-T172 PolarHBondContact O-N 3.4Å; T172-T174 VanDerWaalsContact C-N 3.28Å; T172-T174 PolarHBondContact O-N 2.94Å; T172-A175 PolarHBondContact O-N 2.96Å; T172-L176 HydrophobicContact CG2-CD1 4.34Å; T172-L176 HydrophobicContact CG2-CG 4.48Å; T172-L176 VanDerWaalsContact O-CG 3.29Å; T172-L176 WeakPolarHBondContact O-CG 3.46Å; T172-L176 PolarHBondContact O-N 3.07Å
173	L	95.8	Very high	93.5	Very high	16 Å²	16	19.7 Å²	19.7	8%	0.084	10%	0.104	C	C	.	.	H	α-helix	trans	-57.7	-44.2	175.1	-69.5	177.9	0	0	0	111.3	L169 L176 S177 N518 L543 L550	L169-L173 HydrophobicContact CD1-CD1 4.27Å; L169-L173 HydrophobicContact CD1-CG 4.29Å; L169-L173 HydrophobicContact CG-CD1 4.37Å; L169-L173 WeakPolarHBondContact O-CG 3.43Å; L169-L173 PolarHBondContact O-N 3.36Å; L173-L176 PolarHBondContact O-N 3.11Å; L173-S177 PolarHBondContact O-N 3.05Å; L173-S177 VanDerWaalsContact O-N 3.09Å; L173-S177 PolarHBondContact O-OG 3.4Å; L173-N518 PolarHBondContact O-OD1 2.72Å; L173-L543 HydrophobicContact CD2-CB 4.14Å; L173-L550 HydrophobicContact CD1-CD1 4.12Å
174	T	95.6	Very high	93.2	Very high	1 Å²	1	21 Å²	21	1%	0.006	11%	0.111	C	C	.	.	H	α-helix	trans	-65.3	-40.2	177.4	-53.7	0	0	0	0	112.3	I170 T171 T172 S177 M178 I342 F514 I517 N518	I170-T174 WeakPolarHBondContact O-CB 3.43Å; I170-T174 PolarHBondContact O-N 3.02Å; I170-T174 PolarHBondContact O-OG1 3.49Å; T171-T174 PolarHBondContact O-N 3.42Å; T172-T174 VanDerWaalsContact C-N 3.28Å; T172-T174 PolarHBondContact O-N 2.94Å; T174-S177 PolarHBondContact O-N 3.04Å; T174-M178 WeakPolarHBondContact O-CB 3.05Å; T174-M178 PolarHBondContact O-N 3.46Å; T174-I342 HydrophobicContact CG2-CD1 4.05Å; T174-F514 HydrophobicContact CG2-CB 3.79Å; T174-F514 HydrophobicContact CG2-CD1 3.62Å; T174-F514 HydrophobicContact CG2-CD2 4.46Å; T174-F514 HydrophobicContact CG2-CE1 4.23Å; T174-F514 HydrophobicContact CG2-CG 3.73Å; T174-I517 HydrophobicContact CG2-CB 4.43Å; T174-I517 HydrophobicContact CG2-CG2 4.14Å; T174-N518 WeakPolarHBondContact CA-OD1 3.38Å; T174-N518 PolarHBondContact OG1-ND2 3.26Å
175	A	95.1	Very high	92.5	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.008	13%	0.13	C	C	.	.	H	α-helix	trans	-65.3	-41.3	176.6	0	0	0	0	0	111.5	T171 T172 S177 M178 C179 T363 L364 I367	T171-A175 VanDerWaalsContact O-CB 3.25Å; T171-A175 WeakPolarHBondContact O-CB 3.1Å; T171-A175 PolarHBondContact O-N 2.93Å; T172-A175 PolarHBondContact O-N 2.96Å; A175-S177 PolarHBondContact O-N 2.77Å; A175-M178 PolarHBondContact O-N 3.44Å; A175-C179 WeakPolarHBondContact O-CB 3.42Å; A175-C179 PolarHBondContact O-N 3.23Å; A175-C179 PolarHBondContact O-SG 3.01Å; A175-T363 HydrophobicContact CB-CG2 4.04Å; A175-L364 HydrophobicContact CB-CD2 3.89Å; A175-I367 HydrophobicContact CB-CD1 3.5Å; A175-I367 VanDerWaalsContact CB-CD1 3.5Å
176	L	95.9	Very high	91.8	Very high	34 Å²	34	25.8 Å²	25.8	18%	0.178	14%	0.141	C	C	.	.	H	α-helix	trans	-61.2	-43.5	174.9	-66.4	172.9	0	0	0	111.6	T172 L173 C179 A180 L364 F536	T172-L176 HydrophobicContact CG2-CD1 4.34Å; T172-L176 HydrophobicContact CG2-CG 4.48Å; T172-L176 VanDerWaalsContact O-CG 3.29Å; T172-L176 WeakPolarHBondContact O-CG 3.46Å; T172-L176 PolarHBondContact O-N 3.07Å; L173-L176 PolarHBondContact O-N 3.11Å; L176-C179 WeakPolarHBondContact O-CB 3.29Å; L176-C179 PolarHBondContact O-N 3.13Å; L176-A180 PolarHBondContact O-N 2.86Å; L176-A180 VanDerWaalsContact O-N 3.07Å; L176-L364 HydrophobicContact CD2-CD2 4.23Å; L176-F536 HydrophobicContact CD2-CE1 3.74Å; L176-F536 HydrophobicContact CD2-CZ 3.79Å
177	S	95.3	Very high	91.1	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.007	13%	0.127	C	C	.	.	H	α-helix	trans	-62.3	-43.8	173.9	-62.2	0	0	0	0	112.2	L173 T174 A175 C179 A180 L181 N518 S544	L173-S177 PolarHBondContact O-N 3.05Å; L173-S177 VanDerWaalsContact O-N 3.09Å; L173-S177 PolarHBondContact O-OG 3.4Å; T174-S177 PolarHBondContact O-N 3.04Å; A175-S177 PolarHBondContact O-N 2.77Å; S177-C179 VanDerWaalsContact C-N 3.31Å; S177-C179 PolarHBondContact O-N 3.38Å; S177-A180 PolarHBondContact O-N 3.18Å; S177-L181 WeakPolarHBondContact O-CG 3.18Å; S177-L181 PolarHBondContact O-N 3.39Å; S177-L181 VanDerWaalsContact O-N 3.07Å; S177-N518 WeakPolarHBondContact CB-OD1 3.46Å; S177-N518 PolarHBondContact OG-OD1 2.98Å; S177-S544 PolarHBondContact OG-OG 3.08Å
178	M	92.4	Very high	90.5	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.015	14%	0.141	C	C	.	.	H	α-helix	trans	-61.6	-39.8	174.6	-179.6	179.6	-96.2	0	0	111.4	T174 A175 A180 L181 C182 A192 M195 M343 A346 I359 I517	T174-M178 WeakPolarHBondContact O-CB 3.05Å; T174-M178 PolarHBondContact O-N 3.46Å; A175-M178 PolarHBondContact O-N 3.44Å; M178-A180 VanDerWaalsContact C-N 3.34Å; M178-A180 PolarHBondContact O-N 3.22Å; M178-L181 PolarHBondContact O-N 3.49Å; M178-C182 VanDerWaalsContact O-CB 3.24Å; M178-C182 WeakPolarHBondContact O-CB 3.43Å; M178-C182 PolarHBondContact O-N 2.89Å; M178-A192 HydrophobicContact CE-CB 4.36Å; M178-M195 HydrophobicContact CE-CE 3.99Å; M178-M195 HydrophobicContact CG-CE 4.13Å; M178-M195 HydrophobicContact SD-CE 4.48Å; M178-M343 HydrophobicContact CE-CB 4.17Å; M178-M343 HydrophobicContact CE-CG 3.64Å; M178-M343 HydrophobicContact CE-SD 4.05Å; M178-A346 HydrophobicContact CE-CB 3.6Å; M178-A346 HydrophobicContact SD-CB 3.72Å; M178-I359 HydrophobicContact CG-CG2 4.45Å; M178-I359 HydrophobicContact SD-CG2 4.22Å; M178-I517 HydrophobicContact CB-CG2 4.2Å; M178-I517 HydrophobicContact CE-CD1 4.08Å
179	C	93	Very high	89.5	Confident	1 Å²	1	26.6 Å²	26.6	1%	0.007	15%	0.154	C	C	.	.	H	α-helix	trans	-61.7	-41.7	176.7	-67.7	0	0	0	0	111.9	A175 L176 S177 C182 T183 P360 F536	A175-C179 WeakPolarHBondContact O-CB 3.42Å; A175-C179 PolarHBondContact O-N 3.23Å; A175-C179 PolarHBondContact O-SG 3.01Å; L176-C179 WeakPolarHBondContact O-CB 3.29Å; L176-C179 PolarHBondContact O-N 3.13Å; S177-C179 VanDerWaalsContact C-N 3.31Å; S177-C179 PolarHBondContact O-N 3.38Å; C179-C182 VanDerWaalsContact CA-SG 3.59Å; C179-C182 PolarHBondContact O-SG 2.89Å; C179-T183 WeakPolarHBondContact O-CG2 3.24Å; C179-T183 PolarHBondContact O-N 3.11Å; C179-T183 VanDerWaalsContact O-N 3.15Å; C179-T183 PolarHBondContact O-OG1 3.34Å; C179-P360 HydrophobicContact CB-CB 4.19Å; C179-P360 HydrophobicContact CB-CG 4.13Å; C179-P360 WeakPolarHBondContact SG-CA 3.24Å; C179-P360 VanDerWaalsContact SG-CB 3.56Å; C179-F536 HydrophobicContact CB-CB 4.37Å; C179-F536 HydrophobicContact CB-CD1 3.6Å; C179-F536 HydrophobicContact CB-CD2 3.88Å; C179-F536 HydrophobicContact CB-CE1 3.7Å; C179-F536 HydrophobicContact CB-CE2 3.98Å; C179-F536 HydrophobicContact CB-CG 3.68Å; C179-F536 HydrophobicContact CB-CZ 3.89Å
180	A	92.5	Very high	88.6	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62.1	-48.1	175	0	0	0	0	0	111.3	L176 S177 M178 C182 T183 N184 P534 Y539	L176-A180 PolarHBondContact O-N 2.86Å; L176-A180 VanDerWaalsContact O-N 3.07Å; S177-A180 PolarHBondContact O-N 3.18Å; M178-A180 VanDerWaalsContact C-N 3.34Å; M178-A180 PolarHBondContact O-N 3.22Å; A180-C182 PolarHBondContact O-N 3.38Å; A180-T183 PolarHBondContact O-N 3.46Å; A180-T183 PolarHBondContact O-OG1 3.3Å; A180-T183 VanDerWaalsContact O-OG1 3.07Å; A180-N184 PolarHBondContact O-N 3.31Å; A180-P534 HydrophobicContact CB-CB 4.24Å; A180-P534 WeakPolarHBondContact O-CB 3.47Å; A180-Y539 HydrophobicContact CB-CD1 3.82Å; A180-Y539 HydrophobicContact CB-CD2 3.91Å; A180-Y539 HydrophobicContact CB-CE1 4.36Å; A180-Y539 HydrophobicContact CB-CE2 4.45Å; A180-Y539 HydrophobicContact CB-CG 3.57Å
181	L	90.4	Very high	87.9	Confident	6 Å²	6	22.6 Å²	22.6	3%	0.031	13%	0.134	C	C	.	.	H	α-helix	trans	-62.2	-43.8	178.8	-69.4	164.2	0	0	0	112.5	S177 M178 T183 N184 L196 S199 I517 A520 C521 W532	S177-L181 WeakPolarHBondContact O-CG 3.18Å; S177-L181 PolarHBondContact O-N 3.39Å; S177-L181 VanDerWaalsContact O-N 3.07Å; M178-L181 PolarHBondContact O-N 3.49Å; L181-T183 PolarHBondContact O-N 3.16Å; L181-N184 WeakPolarHBondContact O-CB 3.2Å; L181-N184 PolarHBondContact O-N 3.16Å; L181-N184 VanDerWaalsContact O-N 3.12Å; L181-L196 HydrophobicContact CD1-CD2 3.72Å; L181-L196 HydrophobicContact CD2-CD2 4.49Å; L181-S199 WeakPolarHBondContact CD2-OG 3.46Å; L181-I517 HydrophobicContact CD1-CG2 3.94Å; L181-A520 HydrophobicContact CD1-CB 4.25Å; L181-A520 HydrophobicContact CD2-CB 4.18Å; L181-C521 HydrophobicContact CG-CB 4.49Å; L181-W532 HydrophobicContact CD2-CH2 3.7Å; L181-W532 HydrophobicContact CD2-CZ3 3.78Å; L181-W532 HydrophobicContact CG-CH2 4.36Å
182	C	88.9	Confident	87.2	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-69.7	-20.5	-178.3	88.5	0	0	0	0	112.4	M178 C179 A180 I187 M195 N356 I359	M178-C182 VanDerWaalsContact O-CB 3.24Å; M178-C182 WeakPolarHBondContact O-CB 3.43Å; M178-C182 PolarHBondContact O-N 2.89Å; C179-C182 VanDerWaalsContact CA-SG 3.59Å; C179-C182 PolarHBondContact O-SG 2.89Å; A180-C182 PolarHBondContact O-N 3.38Å; C182-I187 VanDerWaalsContact CA-CD1 3.43Å; C182-I187 HydrophobicContact CB-CD1 3.34Å; C182-I187 HydrophobicContact CB-CG1 4.46Å; C182-I187 VanDerWaalsContact O-CD1 3.27Å; C182-I187 WeakPolarHBondContact O-CD1 3.49Å; C182-M195 HydrophobicContact CB-SD 3.47Å; C182-M195 WeakPolarHBondContact CB-SD 3.42Å; C182-N356 PolarHBondContact O-OD1 2.85Å; C182-I359 HydrophobicContact CB-CD1 4.36Å
183	T	89.5	Confident	86.8	Confident	18 Å²	18	20.3 Å²	20.3	11%	0.11	12%	0.119	C	C	.	.	H	α-helix	trans	-95.6	-2.1	175.1	55.7	0	0	0	0	113.2	C179 A180 L181 G185 N356 P360 A535 F536	C179-T183 WeakPolarHBondContact O-CG2 3.24Å; C179-T183 PolarHBondContact O-N 3.11Å; C179-T183 VanDerWaalsContact O-N 3.15Å; C179-T183 PolarHBondContact O-OG1 3.34Å; A180-T183 PolarHBondContact O-N 3.46Å; A180-T183 PolarHBondContact O-OG1 3.3Å; A180-T183 VanDerWaalsContact O-OG1 3.07Å; L181-T183 PolarHBondContact O-N 3.16Å; T183-G185 VanDerWaalsContact C-N 3.33Å; T183-G185 PolarHBondContact O-N 3.01Å; T183-N356 WeakPolarHBondContact CG2-O 3.49Å; T183-P360 HydrophobicContact CG2-CG 4.43Å; T183-A535 HydrophobicContact CG2-CB 4.46Å; T183-A535 PolarHBondContact OG1-N 3.14Å; T183-F536 HydrophobicContact CG2-CB 4Å; T183-F536 VanDerWaalsContact OG1-CB 3.32Å; T183-F536 WeakPolarHBondContact OG1-CB 3.36Å; T183-F536 PolarHBondContact OG1-N 3.47Å; T183-F536 VanDerWaalsContact OG1-N 3.07Å
184	N	86.6	Confident	86.3	Confident	35 Å²	35	20.6 Å²	20.6	19%	0.187	12%	0.12	C	C	.	.	S	Bend	trans	-90.6	59.7	176.8	-170.6	48.6	0	0	0	111.8	A180 L181 G531 W532 R533	A180-N184 PolarHBondContact O-N 3.31Å; L181-N184 WeakPolarHBondContact O-CB 3.2Å; L181-N184 PolarHBondContact O-N 3.16Å; L181-N184 VanDerWaalsContact O-N 3.12Å; N184-G531 PolarHBondContact OD1-O 2.78Å; N184-G531 VanDerWaalsContact OD1-O 3.13Å; N184-W532 HydrophobicContact CB-CE3 4.45Å; N184-W532 HydrophobicContact CB-CZ3 4.29Å; N184-W532 WeakPolarHBondContact OD1-CA 3.42Å; N184-R533 PolarHBondContact OD1-N 3.42Å
185	G	78.5	Confident	85.7	Confident	38 Å²	38	21 Å²	21	39%	0.392	12%	0.122	S	C	.	.	S	Bend	trans	113.1	-173.6	178.5	0	0	0	0	0	114.4	T183 N356	T183-G185 VanDerWaalsContact C-N 3.33Å; T183-G185 PolarHBondContact O-N 3.01Å; G185-N356 PolarHBondContact O-ND2 3.08Å; G185-N356 PolarHBondContact O-OD1 3.4Å
186	E	78.3	Confident	85.1	Confident	150 Å²	150	21.1 Å²	21.1	70%	0.701	12%	0.122	S	C	*	.			trans	-82.2	127.1	179	-170.9	-174.9	174.1	0	0	110.6	F194	E186-F194 WeakPolarHBondContact O-CE1 3.34Å
187	I	79.2	Confident	84.6	Confident	11 Å²	11	19.5 Å²	19.5	6%	0.056	11%	0.114	C	C	.	.			trans	-96.1	126.8	177	-47.5	169.1	0	0	0	109.9	C182 F194 M195 S349 P355 N356 I359	C182-I187 VanDerWaalsContact CA-CD1 3.43Å; C182-I187 HydrophobicContact CB-CD1 3.34Å; C182-I187 HydrophobicContact CB-CG1 4.46Å; C182-I187 VanDerWaalsContact O-CD1 3.27Å; C182-I187 WeakPolarHBondContact O-CD1 3.49Å; I187-F194 HydrophobicContact CG2-CD1 4.14Å; I187-M195 HydrophobicContact CD1-CG 4.3Å; I187-M195 HydrophobicContact CD1-SD 3.84Å; I187-M195 HydrophobicContact CG1-CG 4.24Å; I187-M195 HydrophobicContact CG1-SD 4.41Å; I187-M195 HydrophobicContact CG2-CG 3.91Å; I187-M195 HydrophobicContact CG2-SD 4.43Å; I187-S349 VanDerWaalsContact CG2-CB 3.5Å; I187-P355 HydrophobicContact CB-CB 3.99Å; I187-P355 HydrophobicContact CB-CG 4.48Å; I187-P355 HydrophobicContact CD1-CB 3.87Å; I187-P355 HydrophobicContact CG1-CB 4.42Å; I187-N356 WeakPolarHBondContact CD1-OD1 3.22Å; I187-N356 WeakPolarHBondContact CG1-OD1 3.32Å; I187-I359 HydrophobicContact CD1-CD1 3.79Å
188	K	79.9	Confident	83.9	Confident	70 Å²	70	22.4 Å²	22.4	30%	0.304	13%	0.125	S	C	.	.			trans	-105.9	-169.6	172.4	-60.9	-171.2	178.6	-172.9	0	111.4	E63 F194 S349	E63-K188 IonicContact OE2-NZ 3.93Å; E63-K188 PolarHBondContact OE2-NZ 2.93Å; K188-F194 HydrophobicContact CB-CD2 4.23Å; K188-F194 HydrophobicContact CB-CE1 4.17Å; K188-F194 HydrophobicContact CB-CE2 3.79Å; K188-F194 HydrophobicContact CB-CZ 3.75Å; K188-F194 HydrophobicContact CD-CE2 4.44Å; K188-F194 HydrophobicContact CD-CZ 4.26Å; K188-F194 HydrophobicContact CG-CE1 4.44Å; K188-F194 HydrophobicContact CG-CE2 4.32Å; K188-F194 HydrophobicContact CG-CZ 3.92Å; K188-S349 PolarHBondContact O-OG 3.34Å
189	G	74.1	Confident	83.3	Confident	38 Å²	38	22.9 Å²	22.9	39%	0.392	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	149.1	175.5	0	0	0	0	0	113.2
190	G	76.2	Confident	82.7	Confident	2 Å²	2	23.3 Å²	23.3	2%	0.021	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	109.4	-2.6	-175.9	0	0	0	0	0	114.3	A192 Y193 F194 A456	G190-A192 PolarHBondContact O-N 3.5Å; G190-Y193 WeakPolarHBondContact O-CB 3.34Å; G190-Y193 PolarHBondContact O-N 3.41Å; G190-Y193 VanDerWaalsContact O-N 3.16Å; G190-F194 PolarHBondContact O-N 3.38Å; G190-A456 VanDerWaalsContact CA-CB 3.46Å
191	G	79.2	Confident	82.2	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	54.5	-129.2	169.8	0	0	0	0	0	115	Y193 F194 M195 A346 S349	G191-Y193 PolarHBondContact O-N 3.15Å; G191-F194 PolarHBondContact O-N 3.15Å; G191-F194 VanDerWaalsContact O-N 3.09Å; G191-M195 PolarHBondContact O-N 3.39Å; G191-M195 VanDerWaalsContact O-N 3.15Å; G191-A346 WeakPolarHBondContact CA-O 3.36Å; G191-S349 VanDerWaalsContact CA-OG 3.28Å; G191-S349 WeakPolarHBondContact CA-OG 3.32Å; G191-S349 PolarHBondContact N-OG 2.96Å; G191-S349 VanDerWaalsContact N-OG 3.14Å
192	A	78.8	Confident	81.9	Confident	1 Å²	1	23.4 Å²	23.4	1%	0.008	13%	0.132	C	C	.	.	H	α-helix	trans	-56.1	-37.8	-179.4	0	0	0	0	0	112.2	M178 G190 F194 M195 L196 M208 F212 M343 I517	M178-A192 HydrophobicContact CE-CB 4.36Å; G190-A192 PolarHBondContact O-N 3.5Å; A192-F194 PolarHBondContact O-N 3.25Å; A192-M195 HydrophobicContact CB-CE 4.44Å; A192-M195 PolarHBondContact O-N 3.41Å; A192-L196 WeakPolarHBondContact O-CG 3.36Å; A192-L196 PolarHBondContact O-N 2.87Å; A192-M208 HydrophobicContact CB-CE 3.6Å; A192-M208 WeakPolarHBondContact O-CE 3.32Å; A192-F212 HydrophobicContact CB-CD1 4.41Å; A192-F212 HydrophobicContact CB-CE1 4.41Å; A192-M343 HydrophobicContact CB-SD 4.37Å; A192-I517 HydrophobicContact CB-CD1 4.49Å
193	Y	87.4	Confident	81.7	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-59.7	-47.6	177	157.6	-99.6	0	0	0	110.9	G190 G191 M195 L196 S197 G205 A456 I457 D460 L462	G190-Y193 WeakPolarHBondContact O-CB 3.34Å; G190-Y193 PolarHBondContact O-N 3.41Å; G190-Y193 VanDerWaalsContact O-N 3.16Å; G191-Y193 PolarHBondContact O-N 3.15Å; Y193-M195 PolarHBondContact O-N 3.42Å; Y193-L196 PolarHBondContact O-N 2.99Å; Y193-S197 VanDerWaalsContact O-CB 3.22Å; Y193-S197 WeakPolarHBondContact O-CB 3.46Å; Y193-S197 PolarHBondContact O-N 3.07Å; Y193-S197 PolarHBondContact O-OG 3.16Å; Y193-S197 VanDerWaalsContact O-OG 3.14Å; Y193-G205 VanDerWaalsContact CD2-O 3.24Å; Y193-G205 WeakPolarHBondContact CD2-O 3.37Å; Y193-A456 HydrophobicContact CD1-CB 3.74Å; Y193-A456 HydrophobicContact CE1-CB 3.82Å; Y193-I457 HydrophobicContact CD1-CG1 3.91Å; Y193-I457 HydrophobicContact CD2-CD1 4.29Å; Y193-I457 HydrophobicContact CD2-CG1 3.58Å; Y193-I457 HydrophobicContact CE1-CG1 3.93Å; Y193-I457 HydrophobicContact CE2-CB 4.47Å; Y193-I457 HydrophobicContact CE2-CG1 3.6Å; Y193-I457 HydrophobicContact CG-CD1 4.44Å; Y193-I457 HydrophobicContact CG-CG1 3.74Å; Y193-D460 WeakPolarHBondContact CE1-OD2 3.4Å; Y193-D460 WeakPolarHBondContact OH-CB 3.36Å; Y193-D460 PolarHBondContact OH-OD2 2.97Å; Y193-L462 HydrophobicContact CE2-CD2 4.29Å
194	F	85.1	Confident	81.4	Confident	23 Å²	23	27.6 Å²	27.6	10%	0.101	15%	0.149	C	C	.	.	H	α-helix	trans	-59.9	-51.8	-179.6	-173.5	-88.5	0	0	0	110.1	E186 I187 K188 G190 G191 A192 L196 S197 R198	E186-F194 WeakPolarHBondContact O-CE1 3.34Å; I187-F194 HydrophobicContact CG2-CD1 4.14Å; K188-F194 HydrophobicContact CB-CD2 4.23Å; K188-F194 HydrophobicContact CB-CE1 4.17Å; K188-F194 HydrophobicContact CB-CE2 3.79Å; K188-F194 HydrophobicContact CB-CZ 3.75Å; K188-F194 HydrophobicContact CD-CE2 4.44Å; K188-F194 HydrophobicContact CD-CZ 4.26Å; K188-F194 HydrophobicContact CG-CE1 4.44Å; K188-F194 HydrophobicContact CG-CE2 4.32Å; K188-F194 HydrophobicContact CG-CZ 3.92Å; G190-F194 PolarHBondContact O-N 3.38Å; G191-F194 PolarHBondContact O-N 3.15Å; G191-F194 VanDerWaalsContact O-N 3.09Å; A192-F194 PolarHBondContact O-N 3.25Å; F194-L196 PolarHBondContact O-N 3.46Å; F194-S197 PolarHBondContact O-N 3.43Å; F194-S197 PolarHBondContact O-OG 3.44Å; F194-R198 HydrophobicContact CD1-CG 4.48Å; F194-R198 HydrophobicContact CE1-CG 4.17Å; F194-R198 HydrophobicContact CZ-CG 4.28Å; F194-R198 WeakPolarHBondContact O-CG 3.48Å; F194-R198 PolarHBondContact O-N 3.26Å
195	M	83.2	Confident	81.3	Confident	10 Å²	10	25.9 Å²	25.9	5%	0.049	14%	0.14	C	C	.	.	H	α-helix	trans	-58	-43.3	-179.5	-64.9	-176	-73.1	0	0	113.1	M178 C182 I187 G191 A192 Y193 S199 A346	M178-M195 HydrophobicContact CE-CE 3.99Å; M178-M195 HydrophobicContact CG-CE 4.13Å; M178-M195 HydrophobicContact SD-CE 4.48Å; C182-M195 HydrophobicContact CB-SD 3.47Å; C182-M195 WeakPolarHBondContact CB-SD 3.42Å; I187-M195 HydrophobicContact CD1-CG 4.3Å; I187-M195 HydrophobicContact CD1-SD 3.84Å; I187-M195 HydrophobicContact CG1-CG 4.24Å; I187-M195 HydrophobicContact CG1-SD 4.41Å; I187-M195 HydrophobicContact CG2-CG 3.91Å; I187-M195 HydrophobicContact CG2-SD 4.43Å; G191-M195 PolarHBondContact O-N 3.39Å; G191-M195 VanDerWaalsContact O-N 3.15Å; A192-M195 HydrophobicContact CB-CE 4.44Å; A192-M195 PolarHBondContact O-N 3.41Å; Y193-M195 PolarHBondContact O-N 3.42Å; M195-S199 PolarHBondContact O-N 2.88Å; M195-S199 PolarHBondContact O-OG 3.23Å; M195-A346 HydrophobicContact CE-CB 4.02Å
196	L	82.6	Confident	81.7	Confident	2 Å²	2	24.1 Å²	24.1	1%	0.01	12%	0.121	C	C	.	.	H	α-helix	trans	-74.3	-41.4	-179.5	-70.6	-162.6	0	0	0	113.5	L181 A192 Y193 F194 R198 S199 L200 M208 L516 I517 A520	L181-L196 HydrophobicContact CD1-CD2 3.72Å; L181-L196 HydrophobicContact CD2-CD2 4.49Å; A192-L196 WeakPolarHBondContact O-CG 3.36Å; A192-L196 PolarHBondContact O-N 2.87Å; Y193-L196 PolarHBondContact O-N 2.99Å; F194-L196 PolarHBondContact O-N 3.46Å; L196-R198 PolarHBondContact O-N 3.03Å; L196-S199 PolarHBondContact O-N 3.35Å; L196-L200 PolarHBondContact O-N 3.22Å; L196-M208 HydrophobicContact CB-CE 4.04Å; L196-M208 HydrophobicContact CD1-CB 4.15Å; L196-M208 HydrophobicContact CD1-CE 3.23Å; L196-M208 HydrophobicContact CD1-CG 3.68Å; L196-M208 HydrophobicContact CD1-SD 4.19Å; L196-M208 HydrophobicContact CG-CE 3.65Å; L196-L516 HydrophobicContact CD1-CB 4.29Å; L196-I517 HydrophobicContact CD1-CG1 4.05Å; L196-I517 HydrophobicContact CD2-CG1 4.41Å; L196-I517 HydrophobicContact CG-CG1 4.44Å; L196-A520 HydrophobicContact CD2-CB 3.32Å
197	S	84.7	Confident	82.2	Confident	0 Å²	0	17 Å²	17	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-58.4	-33.6	179.4	70.4	0	0	0	0	112.4	Y193 F194 G201 W586	Y193-S197 VanDerWaalsContact O-CB 3.22Å; Y193-S197 WeakPolarHBondContact O-CB 3.46Å; Y193-S197 PolarHBondContact O-N 3.07Å; Y193-S197 PolarHBondContact O-OG 3.16Å; Y193-S197 VanDerWaalsContact O-OG 3.14Å; F194-S197 PolarHBondContact O-N 3.43Å; F194-S197 PolarHBondContact O-OG 3.44Å; S197-G201 CarbonylContact O-C 3.42Å; S197-G201 VanDerWaalsContact O-C 3.28Å; S197-G201 VanDerWaalsContact O-CA 3.23Å; S197-G201 WeakPolarHBondContact O-CA 3.36Å; S197-G201 PolarHBondContact O-N 2.94Å; S197-W586 VanDerWaalsContact O-CE3 3.28Å
198	R	82.6	Confident	82.5	Confident	62 Å²	62	16.6 Å²	16.6	23%	0.234	9%	0.086	C	C	.	.	H	α-helix	trans	-83.3	-15.6	176.8	-53.3	-54.4	141.9	136.5	0.4	114.1	F194 L196 D460 W586	F194-R198 HydrophobicContact CD1-CG 4.48Å; F194-R198 HydrophobicContact CE1-CG 4.17Å; F194-R198 HydrophobicContact CZ-CG 4.28Å; F194-R198 WeakPolarHBondContact O-CG 3.48Å; F194-R198 PolarHBondContact O-N 3.26Å; L196-R198 PolarHBondContact O-N 3.03Å; R198-D460 IonicContact NH2-OD1 3.8Å; R198-D460 PolarHBondContact NH2-OD1 3.45Å; R198-D460 IonicContact NH2-OD2 3.79Å; R198-D460 PolarHBondContact NH2-OD2 3.33Å; R198-W586 VanDerWaalsContact CZ-CZ2 3.43Å; R198-W586 VanDerWaalsContact CZ-NE1 3.26Å
199	S	79.3	Confident	82.8	Confident	14 Å²	14	13.2 Å²	13.2	10%	0.098	7%	0.072	C	C	.	.	H	α-helix	trans	-97.2	-53.8	-180	-56.1	0	0	0	0	112.1	L181 M195 L196 S589	L181-S199 WeakPolarHBondContact CD2-OG 3.46Å; M195-S199 PolarHBondContact O-N 2.88Å; M195-S199 PolarHBondContact O-OG 3.23Å; L196-S199 PolarHBondContact O-N 3.35Å; S199-S589 PolarHBondContact O-OG 3.14Å
200	L	79.5	Confident	83.5	Confident	10 Å²	10	13 Å²	13	5%	0.052	6%	0.061	C	C	.	.	H	α-helix	trans	-90.2	-19.8	-177.8	-72.5	178.6	0	0	0	113.4	L196 F204 Y519 A520 D523	L196-L200 PolarHBondContact O-N 3.22Å; L200-F204 HydrophobicContact CB-CB 3.73Å; L200-F204 HydrophobicContact CB-CD2 4.4Å; L200-F204 HydrophobicContact CB-CG 4.3Å; L200-F204 HydrophobicContact CD1-CB 3.89Å; L200-F204 HydrophobicContact CD1-CG 4.18Å; L200-F204 HydrophobicContact CG-CB 4.47Å; L200-Y519 HydrophobicContact CD1-CD1 4.43Å; L200-A520 HydrophobicContact CD1-CB 3.61Å; L200-A520 HydrophobicContact CD2-CB 4.24Å; L200-A520 HydrophobicContact CG-CB 3.7Å; L200-D523 HydrophobicContact CD2-CB 3.95Å; L200-D523 VanDerWaalsContact CD2-OD2 3.28Å; L200-D523 WeakPolarHBondContact CD2-OD2 3.48Å
201	G	82.6	Confident	84.2	Confident	0 Å²	0	13 Å²	13	0%	0	6%	0.061	C	C	.	.			trans	104.3	174.6	-173.3	0	0	0	0	0	113.7	S197 E203 G205	S197-G201 CarbonylContact O-C 3.42Å; S197-G201 VanDerWaalsContact O-C 3.28Å; S197-G201 VanDerWaalsContact O-CA 3.23Å; S197-G201 WeakPolarHBondContact O-CA 3.36Å; S197-G201 PolarHBondContact O-N 2.94Å; G201-E203 PolarHBondContact O-N 2.93Å; G201-G205 PolarHBondContact O-N 3.18Å
202	P	83.6	Confident	84.7	Confident	7 Å²	7	13 Å²	13	5%	0.045	6%	0.061	C	C	.	.	H	α-helix	trans	-66.1	-32.8	-171	23.3	-31.4	0	0	0	114.5	G206 L462 P582 W586	P202-G206 PolarHBondContact O-N 3.33Å; P202-L462 HydrophobicContact CB-CD2 4.33Å; P202-L462 VanDerWaalsContact O-CD2 3.27Å; P202-L462 WeakPolarHBondContact O-CD2 3.47Å; P202-P582 HydrophobicContact CB-CG 3.88Å; P202-P582 HydrophobicContact CG-CG 3.88Å; P202-W586 HydrophobicContact CB-CE3 3.71Å; P202-W586 HydrophobicContact CB-CH2 4.3Å; P202-W586 HydrophobicContact CB-CZ3 3.45Å; P202-W586 VanDerWaalsContact CB-CZ3 3.45Å; P202-W586 HydrophobicContact CG-CE3 4.21Å; P202-W586 HydrophobicContact CG-CZ3 4.42Å
203	E	84.9	Confident	85.2	Confident	41 Å²	41	13 Å²	13	19%	0.192	6%	0.06	C	C	.	.	H	α-helix	trans	-67.6	-46.8	-175.4	-56.4	82.8	178.1	0	0	111.5	G201 S207 Y574 L577 L578	G201-E203 PolarHBondContact O-N 2.93Å; E203-S207 PolarHBondContact O-OG 3.3Å; E203-Y574 HydrophobicContact CB-CD2 3.85Å; E203-Y574 HydrophobicContact CB-CE2 3.64Å; E203-L577 HydrophobicContact CB-CB 4.3Å; E203-L577 HydrophobicContact CG-CB 4.35Å; E203-L577 WeakPolarHBondContact O-CD1 3.4Å; E203-L578 HydrophobicContact CG-CD1 4.35Å
204	F	83.2	Confident	85.3	Confident	65 Å²	65	16 Å²	16	29%	0.285	8%	0.076	S	C	.	.	H	α-helix	trans	-75	-45.2	176	-80.5	-76.6	0	0	0	111.9	L200 G206 S207 M208 Y574	L200-F204 HydrophobicContact CB-CB 3.73Å; L200-F204 HydrophobicContact CB-CD2 4.4Å; L200-F204 HydrophobicContact CB-CG 4.3Å; L200-F204 HydrophobicContact CD1-CB 3.89Å; L200-F204 HydrophobicContact CD1-CG 4.18Å; L200-F204 HydrophobicContact CG-CB 4.47Å; F204-G206 PolarHBondContact O-N 3.41Å; F204-S207 PolarHBondContact O-N 3.19Å; F204-M208 PolarHBondContact O-N 3.09Å; F204-Y574 HydrophobicContact CD1-CD2 4.3Å; F204-Y574 HydrophobicContact CD1-CE2 4.34Å; F204-Y574 HydrophobicContact CD2-CD2 4.39Å; F204-Y574 AromaticContact CD2-CE2 3.75Å; F204-Y574 HydrophobicContact CD2-CE2 3.75Å; F204-Y574 HydrophobicContact CE1-CD2 4.26Å; F204-Y574 HydrophobicContact CE1-CE2 4.11Å; F204-Y574 HydrophobicContact CE2-CD2 4.34Å; F204-Y574 AromaticContact CE2-CE2 3.47Å; F204-Y574 HydrophobicContact CE2-CE2 3.47Å; F204-Y574 VanDerWaalsContact CE2-CE2 3.47Å; F204-Y574 AromaticContact CE2-CZ 3.97Å; F204-Y574 HydrophobicContact CG-CD2 4.37Å; F204-Y574 HydrophobicContact CG-CE2 4.18Å; F204-Y574 HydrophobicContact CZ-CD2 4.27Å; F204-Y574 AromaticContact CZ-CE2 3.67Å; F204-Y574 HydrophobicContact CZ-CE2 3.67Å
205	G	84.6	Confident	85.6	Confident	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-58.1	-50.4	-179.9	0	0	0	0	0	112.6	Y193 G201 S207 M208 G209	Y193-G205 VanDerWaalsContact CD2-O 3.24Å; Y193-G205 WeakPolarHBondContact CD2-O 3.37Å; G201-G205 PolarHBondContact O-N 3.18Å; G205-S207 PolarHBondContact O-N 3.46Å; G205-M208 PolarHBondContact O-N 2.99Å; G205-G209 PolarHBondContact O-N 3.34Å
206	G	86.6	Confident	86	Confident	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-61	-42.6	179.9	0	0	0	0	0	114.3	P202 F204 G209 M210 Y463	P202-G206 PolarHBondContact O-N 3.33Å; F204-G206 PolarHBondContact O-N 3.41Å; G206-G209 PolarHBondContact O-N 3.47Å; G206-M210 PolarHBondContact O-N 2.92Å; G206-Y463 PolarHBondContact O-OH 2.87Å
207	S	88.9	Confident	86.5	Confident	2 Å²	2	14.4 Å²	14.4	1%	0.014	7%	0.069	C	C	.	.	H	α-helix	trans	-63.1	-44.7	177.9	-54.4	0	0	0	0	111.1	E203 F204 G205 I211 Y574	E203-S207 PolarHBondContact O-OG 3.3Å; F204-S207 PolarHBondContact O-N 3.19Å; G205-S207 PolarHBondContact O-N 3.46Å; S207-I211 WeakPolarHBondContact O-CD1 3.29Å; S207-I211 WeakPolarHBondContact O-CG1 3.29Å; S207-I211 PolarHBondContact O-N 3.17Å; S207-Y574 VanDerWaalsContact OG-CA 3.3Å; S207-Y574 WeakPolarHBondContact OG-CA 3.42Å; S207-Y574 PolarHBondContact OG-N 3.46Å; S207-Y574 VanDerWaalsContact OG-N 3.13Å
208	M	84.7	Confident	86.8	Confident	1 Å²	1	14.7 Å²	14.7	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-63.6	-47.5	176.3	-169.1	-76.6	-80.5	0	0	111.3	A192 L196 F204 G205 M210 I211 F212 L516	A192-M208 HydrophobicContact CB-CE 3.6Å; A192-M208 WeakPolarHBondContact O-CE 3.32Å; L196-M208 HydrophobicContact CB-CE 4.04Å; L196-M208 HydrophobicContact CD1-CB 4.15Å; L196-M208 HydrophobicContact CD1-CE 3.23Å; L196-M208 HydrophobicContact CD1-CG 3.68Å; L196-M208 HydrophobicContact CD1-SD 4.19Å; L196-M208 HydrophobicContact CG-CE 3.65Å; F204-M208 PolarHBondContact O-N 3.09Å; G205-M208 PolarHBondContact O-N 2.99Å; M208-M210 PolarHBondContact O-N 3.29Å; M208-I211 PolarHBondContact O-N 3.5Å; M208-F212 WeakPolarHBondContact O-CB 3.2Å; M208-F212 PolarHBondContact O-N 3.01Å; M208-F212 HydrophobicContact SD-CB 3.66Å; M208-F212 HydrophobicContact SD-CG 4.38Å; M208-L516 HydrophobicContact CB-CD1 3.84Å; M208-L516 HydrophobicContact CG-CB 4.3Å; M208-L516 HydrophobicContact CG-CD1 3.82Å
209	G	87.6	Confident	87.3	Confident	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-57.1	-37.3	-177.7	0	0	0	0	0	113.2	G205 G206 G213 T453	G205-G209 PolarHBondContact O-N 3.34Å; G206-G209 PolarHBondContact O-N 3.47Å; G209-G213 PolarHBondContact O-N 3.43Å; G209-T453 VanDerWaalsContact O-CG2 3.24Å; G209-T453 WeakPolarHBondContact O-CG2 3.37Å
210	M	89.2	Confident	87.9	Confident	33 Å²	33	11.1 Å²	11.1	16%	0.163	6%	0.055	C	C	.	.	H	α-helix	trans	-65.9	-44.4	174.3	-72.7	-67.1	-114.1	0	0	112	G206 M208 G213 L214 F454 I457 Y463 I466 L573	G206-M210 PolarHBondContact O-N 2.92Å; M208-M210 PolarHBondContact O-N 3.29Å; M210-G213 PolarHBondContact O-N 3.04Å; M210-L214 VanDerWaalsContact O-CG 3.31Å; M210-L214 WeakPolarHBondContact O-CG 3.4Å; M210-L214 PolarHBondContact O-N 3.45Å; M210-F454 HydrophobicContact SD-CD1 3.97Å; M210-F454 HydrophobicContact SD-CE1 3.6Å; M210-F454 VanDerWaalsContact SD-CE1 3.6Å; M210-I457 HydrophobicContact CG-CD1 4.42Å; M210-I457 HydrophobicContact SD-CD1 4.39Å; M210-Y463 HydrophobicContact CE-CD2 4.18Å; M210-Y463 HydrophobicContact CE-CE2 4.22Å; M210-Y463 HydrophobicContact CE-CG 4.36Å; M210-Y463 HydrophobicContact CG-CD2 4.39Å; M210-Y463 HydrophobicContact CG-CE2 3.64Å; M210-Y463 HydrophobicContact SD-CE2 4.31Å; M210-I466 HydrophobicContact CE-CD1 3.54Å; M210-I466 HydrophobicContact SD-CD1 4.19Å; M210-L573 HydrophobicContact CB-CD1 3.9Å
211	I	90.1	Very high	88.5	Confident	3 Å²	3	10.6 Å²	10.6	2%	0.015	5%	0.052	C	C	.	.	H	α-helix	trans	-64.8	-44.1	178.9	-66.6	161.5	0	0	0	110.7	S207 M208 L214 A215 L509 I570 L573	S207-I211 WeakPolarHBondContact O-CD1 3.29Å; S207-I211 WeakPolarHBondContact O-CG1 3.29Å; S207-I211 PolarHBondContact O-N 3.17Å; M208-I211 PolarHBondContact O-N 3.5Å; I211-L214 PolarHBondContact O-N 3.02Å; I211-A215 WeakPolarHBondContact O-CB 3.49Å; I211-A215 PolarHBondContact O-N 3.41Å; I211-L509 HydrophobicContact CG2-CB 4.39Å; I211-L509 HydrophobicContact CG2-CD2 4Å; I211-I570 HydrophobicContact CD1-CB 3.88Å; I211-I570 HydrophobicContact CD1-CD1 3.54Å; I211-I570 HydrophobicContact CD1-CG1 3.34Å; I211-I570 HydrophobicContact CD1-CG2 3.9Å; I211-L573 HydrophobicContact CG1-CD1 4.46Å
212	F	89	Confident	88.8	Confident	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-63.3	-44.3	177.7	179.9	-117.4	0	0	0	111.7	A192 M208 L214 A215 D216 M343 T453 Y510	A192-F212 HydrophobicContact CB-CD1 4.41Å; A192-F212 HydrophobicContact CB-CE1 4.41Å; M208-F212 WeakPolarHBondContact O-CB 3.2Å; M208-F212 PolarHBondContact O-N 3.01Å; M208-F212 HydrophobicContact SD-CB 3.66Å; M208-F212 HydrophobicContact SD-CG 4.38Å; F212-L214 VanDerWaalsContact C-N 3.31Å; F212-L214 PolarHBondContact O-N 3.34Å; F212-A215 WeakPolarHBondContact O-CB 3.49Å; F212-A215 PolarHBondContact O-N 3.17Å; F212-A215 VanDerWaalsContact O-N 3.15Å; F212-D216 PolarHBondContact O-N 3.23Å; F212-M343 HydrophobicContact CD2-CE 3.5Å; F212-M343 VanDerWaalsContact CD2-CE 3.5Å; F212-M343 HydrophobicContact CD2-SD 4.17Å; F212-M343 HydrophobicContact CE2-CB 3.82Å; F212-M343 HydrophobicContact CE2-CE 3.34Å; F212-M343 HydrophobicContact CE2-CG 4.42Å; F212-M343 HydrophobicContact CE2-SD 3.84Å; F212-M343 HydrophobicContact CZ-CB 3.94Å; F212-M343 HydrophobicContact CZ-CE 4.48Å; F212-T453 HydrophobicContact CD1-CG2 3.91Å; F212-Y510 HydrophobicContact CD2-CE1 4.38Å; F212-Y510 HydrophobicContact CE2-CE1 4.05Å
213	G	89.8	Confident	89.2	Confident	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-60.8	-37.3	174	0	0	0	0	0	113.3	G209 M210 A217	G209-G213 PolarHBondContact O-N 3.43Å; M210-G213 PolarHBondContact O-N 3.04Å; G213-A217 WeakPolarHBondContact O-CB 3.39Å; G213-A217 PolarHBondContact O-N 3.26Å; G213-A217 VanDerWaalsContact O-N 3.15Å
214	L	90.5	Very high	89.6	Confident	62 Å²	62	8.6 Å²	8.6	33%	0.325	4%	0.042	S	C	.	.	H	α-helix	trans	-69.9	-37.9	173	-71.1	171.7	0	0	0	112.4	M210 I211 F212 A217 T218 V489	M210-L214 VanDerWaalsContact O-CG 3.31Å; M210-L214 WeakPolarHBondContact O-CG 3.4Å; M210-L214 PolarHBondContact O-N 3.45Å; I211-L214 PolarHBondContact O-N 3.02Å; F212-L214 VanDerWaalsContact C-N 3.31Å; F212-L214 PolarHBondContact O-N 3.34Å; L214-A217 PolarHBondContact O-N 3.24Å; L214-T218 WeakPolarHBondContact O-CB 3.22Å; L214-T218 PolarHBondContact O-N 3.08Å; L214-T218 PolarHBondContact O-OG1 3.24Å; L214-V489 HydrophobicContact CD2-CG1 4.26Å
215	A	91.6	Very high	89.9	Confident	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-63.1	-48.5	177.3	0	0	0	0	0	111.2	I211 F212 A217 T218 Y219 L509 Y510	I211-A215 WeakPolarHBondContact O-CB 3.49Å; I211-A215 PolarHBondContact O-N 3.41Å; F212-A215 WeakPolarHBondContact O-CB 3.49Å; F212-A215 PolarHBondContact O-N 3.17Å; F212-A215 VanDerWaalsContact O-N 3.15Å; A215-A217 PolarHBondContact O-N 3.38Å; A215-T218 PolarHBondContact O-N 3.4Å; A215-Y219 WeakPolarHBondContact O-CB 3.44Å; A215-Y219 PolarHBondContact O-N 3.43Å; A215-L509 HydrophobicContact CB-CB 3.77Å; A215-Y510 HydrophobicContact CB-CD1 4.33Å; A215-Y510 HydrophobicContact CB-CD2 3.8Å; A215-Y510 HydrophobicContact CB-CE1 4.22Å; A215-Y510 HydrophobicContact CB-CE2 3.66Å; A215-Y510 HydrophobicContact CB-CG 4.15Å
216	D	91.6	Very high	90	Very high	2 Å²	2	5.5 Å²	5.5	1%	0.011	3%	0.029	C	C	.	.	H	α-helix	trans	-58.7	-45.4	174.7	-81.5	-7.6	0	0	0	111	F212 T218 Y219 A220 C446 S449 A450 Y510	F212-D216 PolarHBondContact O-N 3.23Å; D216-T218 PolarHBondContact O-N 2.97Å; D216-Y219 PolarHBondContact O-N 2.89Å; D216-A220 PolarHBondContact O-N 3.17Å; D216-C446 HydrophobicContact CB-CB 4.35Å; D216-C446 WeakPolarHBondContact O-CB 3.25Å; D216-S449 VanDerWaalsContact OD2-CB 3.27Å; D216-S449 WeakPolarHBondContact OD2-CB 3.46Å; D216-S449 PolarHBondContact OD2-OG 3.41Å; D216-A450 HydrophobicContact CB-CB 3.61Å; D216-A450 PolarHBondContact OD2-N 2.93Å; D216-Y510 PolarHBondContact OD1-OH 2.89Å
217	A	92.4	Very high	90.3	Very high	1 Å²	1	6.7 Å²	6.7	1%	0.008	3%	0.034	C	C	.	.	H	α-helix	trans	-62	-42.6	178.7	0	0	0	0	0	112.6	G213 L214 A215 Y219 A220 A221 V486 V489	G213-A217 WeakPolarHBondContact O-CB 3.39Å; G213-A217 PolarHBondContact O-N 3.26Å; G213-A217 VanDerWaalsContact O-N 3.15Å; L214-A217 PolarHBondContact O-N 3.24Å; A215-A217 PolarHBondContact O-N 3.38Å; A217-Y219 VanDerWaalsContact C-N 3.34Å; A217-A220 PolarHBondContact O-N 2.89Å; A217-A221 PolarHBondContact O-N 3.42Å; A217-V486 HydrophobicContact CB-CG1 3.91Å; A217-V489 HydrophobicContact CB-CB 4.25Å; A217-V489 HydrophobicContact CB-CG1 3.83Å
218	T	91.3	Very high	90.4	Very high	6 Å²	6	6.6 Å²	6.6	4%	0.037	3%	0.033	C	C	.	.	H	α-helix	trans	-68.3	-36.5	178.2	-49.1	0	0	0	0	110.8	L214 A215 D216 A221 M222 V493 V502 L505 I506	L214-T218 WeakPolarHBondContact O-CB 3.22Å; L214-T218 PolarHBondContact O-N 3.08Å; L214-T218 PolarHBondContact O-OG1 3.24Å; A215-T218 PolarHBondContact O-N 3.4Å; D216-T218 PolarHBondContact O-N 2.97Å; T218-A221 WeakPolarHBondContact O-CB 3.47Å; T218-A221 PolarHBondContact O-N 2.89Å; T218-M222 PolarHBondContact O-N 3.43Å; T218-V493 HydrophobicContact CG2-CG1 3.81Å; T218-V493 HydrophobicContact CG2-CG2 4Å; T218-V502 HydrophobicContact CG2-CG1 3.83Å; T218-L505 HydrophobicContact CG2-CD2 3.85Å; T218-L505 HydrophobicContact CG2-CG 4.21Å; T218-I506 HydrophobicContact CG2-CD1 3.91Å; T218-I506 HydrophobicContact CG2-CG1 3.35Å
219	Y	91.8	Very high	90.5	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-66.7	-40.1	176.3	-165.3	-109.4	0	0	0	113.2	N138 A215 D216 A217 A221 M222 N223 P337 I506 Y510	N138-Y219 PolarHBondContact O-OH 3.16Å; N138-Y219 VanDerWaalsContact OD1-CE1 3.31Å; N138-Y219 WeakPolarHBondContact OD1-CE1 3.45Å; A215-Y219 WeakPolarHBondContact O-CB 3.44Å; A215-Y219 PolarHBondContact O-N 3.43Å; D216-Y219 PolarHBondContact O-N 2.89Å; A217-Y219 VanDerWaalsContact C-N 3.34Å; Y219-A221 VanDerWaalsContact C-N 3.29Å; Y219-A221 PolarHBondContact O-N 3.22Å; Y219-M222 HydrophobicContact CD2-CE 3.89Å; Y219-M222 HydrophobicContact CE2-CE 3.47Å; Y219-M222 VanDerWaalsContact CE2-CE 3.47Å; Y219-M222 PolarHBondContact O-N 3.38Å; Y219-N223 WeakPolarHBondContact CD1-ND2 3.09Å; Y219-N223 WeakPolarHBondContact CE1-ND2 3.45Å; Y219-N223 PolarHBondContact O-N 3.45Å; Y219-N223 VanDerWaalsContact O-N 3.15Å; Y219-N223 PolarHBondContact O-ND2 3.17Å; Y219-P337 HydrophobicContact CE2-CB 4.16Å; Y219-P337 WeakPolarHBondContact CE2-O 3.18Å; Y219-P337 PolarHBondContact OH-O 3.29Å; Y219-I506 HydrophobicContact CD2-CD1 4.39Å; Y219-I506 HydrophobicContact CD2-CG2 3.89Å; Y219-Y510 HydrophobicContact CD2-CE2 4.41Å; Y219-Y510 HydrophobicContact CG-CE2 4.36Å
220	A	92	Very high	90.5	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-58.7	-44.7	174	0	0	0	0	0	111.1	D216 A217 N223 V224 S443 C446 L447	D216-A220 PolarHBondContact O-N 3.17Å; A217-A220 PolarHBondContact O-N 2.89Å; A220-N223 PolarHBondContact O-N 3Å; A220-V224 WeakPolarHBondContact O-CG2 3.02Å; A220-V224 PolarHBondContact O-N 3.5Å; A220-V224 VanDerWaalsContact O-N 3.1Å; A220-S443 PolarHBondContact O-OG 3.1Å; A220-C446 HydrophobicContact CB-CB 3.79Å; A220-L447 HydrophobicContact CB-CG 4.36Å
221	A	92.4	Very high	90.5	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-62.4	-43.4	176.8	0	0	0	0	0	112.7	A217 T218 Y219 N223 V224 I225 V493 I494	A217-A221 PolarHBondContact O-N 3.42Å; T218-A221 WeakPolarHBondContact O-CB 3.47Å; T218-A221 PolarHBondContact O-N 2.89Å; Y219-A221 VanDerWaalsContact C-N 3.29Å; Y219-A221 PolarHBondContact O-N 3.22Å; A221-N223 VanDerWaalsContact C-N 3.34Å; A221-N223 PolarHBondContact O-N 3.32Å; A221-V224 PolarHBondContact O-N 3.14Å; A221-I225 WeakPolarHBondContact O-CG1 3.46Å; A221-I225 PolarHBondContact O-N 2.78Å; A221-V493 HydrophobicContact CB-CB 3.66Å; A221-V493 HydrophobicContact CB-CG1 3.58Å; A221-I494 HydrophobicContact CB-CD1 4.38Å; A221-I494 HydrophobicContact CB-CG1 3.82Å
222	M	89.4	Confident	90.4	Very high	5 Å²	5	9.2 Å²	9.2	3%	0.025	5%	0.047	C	C	.	.	H	α-helix	trans	-59.7	-42.8	177.6	-175.5	-170.3	83.8	0	0	112.5	T218 Y219 V224 I225 G226 P337 L499 V502 I506	T218-M222 PolarHBondContact O-N 3.43Å; Y219-M222 HydrophobicContact CD2-CE 3.89Å; Y219-M222 HydrophobicContact CE2-CE 3.47Å; Y219-M222 VanDerWaalsContact CE2-CE 3.47Å; Y219-M222 PolarHBondContact O-N 3.38Å; M222-V224 VanDerWaalsContact C-N 3.34Å; M222-I225 WeakPolarHBondContact O-CB 3.3Å; M222-I225 PolarHBondContact O-N 3.29Å; M222-G226 PolarHBondContact O-N 3.03Å; M222-P337 HydrophobicContact CE-CB 3.7Å; M222-P337 HydrophobicContact SD-CB 3.89Å; M222-P337 HydrophobicContact SD-CG 4.28Å; M222-L499 HydrophobicContact CB-CD1 4.45Å; M222-L499 HydrophobicContact CG-CD1 3.42Å; M222-L499 VanDerWaalsContact CG-CD1 3.42Å; M222-L499 HydrophobicContact CG-CG 4.25Å; M222-L499 VanDerWaalsContact O-CD1 3.31Å; M222-L499 WeakPolarHBondContact O-CD1 3.31Å; M222-V502 HydrophobicContact CB-CG1 4.4Å; M222-I506 HydrophobicContact CB-CD1 3.44Å; M222-I506 VanDerWaalsContact CB-CD1 3.44Å; M222-I506 HydrophobicContact CG-CD1 3.88Å; M222-I506 HydrophobicContact SD-CD1 3.42Å; M222-I506 WeakPolarHBondContact SD-CD1 3.49Å
223	N	91	Very high	90.1	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-69.2	-33	177.3	-75.3	-80.8	0	0	0	112.2	G141 A142 Y219 A220 A221 G226 F227 C439 S443	G141-N223 WeakPolarHBondContact CA-OD1 3.32Å; A142-N223 PolarHBondContact N-OD1 3.18Å; Y219-N223 WeakPolarHBondContact CD1-ND2 3.09Å; Y219-N223 WeakPolarHBondContact CE1-ND2 3.45Å; Y219-N223 PolarHBondContact O-N 3.45Å; Y219-N223 VanDerWaalsContact O-N 3.15Å; Y219-N223 PolarHBondContact O-ND2 3.17Å; A220-N223 PolarHBondContact O-N 3Å; A221-N223 VanDerWaalsContact C-N 3.34Å; A221-N223 PolarHBondContact O-N 3.32Å; N223-G226 PolarHBondContact O-N 3.05Å; N223-F227 PolarHBondContact O-N 3.03Å; N223-C439 WeakPolarHBondContact O-CB 3.38Å; N223-S443 VanDerWaalsContact CB-OG 3.22Å; N223-S443 WeakPolarHBondContact CB-OG 3.36Å
224	V	93	Very high	89.8	Confident	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-66.6	-37.8	171.2	169.7	0	0	0	0	111.8	A220 A221 M222 G226 F227 A228 G254 T257 Q258 L261 S443 I494	A220-V224 WeakPolarHBondContact O-CG2 3.02Å; A220-V224 PolarHBondContact O-N 3.5Å; A220-V224 VanDerWaalsContact O-N 3.1Å; A221-V224 PolarHBondContact O-N 3.14Å; M222-V224 VanDerWaalsContact C-N 3.34Å; V224-G226 VanDerWaalsContact C-N 3.33Å; V224-F227 WeakPolarHBondContact O-CB 3.42Å; V224-F227 PolarHBondContact O-N 3.37Å; V224-A228 WeakPolarHBondContact O-CB 3.48Å; V224-A228 PolarHBondContact O-N 2.95Å; V224-G254 WeakPolarHBondContact CG1-O 3.46Å; V224-T257 HydrophobicContact CG1-CG2 4.18Å; V224-T257 HydrophobicContact CG2-CG2 4.4Å; V224-Q258 HydrophobicContact CG1-CB 4.43Å; V224-L261 HydrophobicContact CG2-CD1 3.9Å; V224-S443 VanDerWaalsContact CG2-OG 3.32Å; V224-S443 WeakPolarHBondContact CG2-OG 3.44Å; V224-S443 PolarHBondContact N-OG 2.71Å; V224-I494 HydrophobicContact CB-CD1 4.2Å; V224-I494 HydrophobicContact CG1-CD1 3.81Å
225	I	90.3	Very high	89.6	Confident	1 Å²	1	13.2 Å²	13.2	1%	0.005	7%	0.068	C	C	.	.	H	α-helix	trans	-61	-45	172.3	-66.5	166.4	0	0	0	109.7	A221 M222 F227 A228 E229 I250 I494 L499 V502	A221-I225 WeakPolarHBondContact O-CG1 3.46Å; A221-I225 PolarHBondContact O-N 2.78Å; M222-I225 WeakPolarHBondContact O-CB 3.3Å; M222-I225 PolarHBondContact O-N 3.29Å; I225-F227 VanDerWaalsContact C-N 3.33Å; I225-F227 PolarHBondContact O-N 2.92Å; I225-A228 PolarHBondContact O-N 2.92Å; I225-A228 VanDerWaalsContact O-N 3.13Å; I225-E229 WeakPolarHBondContact O-CB 3.44Å; I225-E229 PolarHBondContact O-N 3.46Å; I225-I250 HydrophobicContact CG2-CG2 4.09Å; I225-I494 HydrophobicContact CG1-CG1 4.31Å; I225-L499 HydrophobicContact CB-CD1 3.98Å; I225-L499 HydrophobicContact CG2-CB 4.17Å; I225-L499 HydrophobicContact CG2-CD1 3.79Å; I225-V502 HydrophobicContact CD1-CG2 4.27Å
226	G	87.7	Confident	89.2	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-58.9	-41.5	175.7	0	0	0	0	0	113.1	M222 N223 V224 E229 T230	M222-G226 PolarHBondContact O-N 3.03Å; N223-G226 PolarHBondContact O-N 3.05Å; V224-G226 VanDerWaalsContact C-N 3.33Å; G226-E229 PolarHBondContact O-N 3.45Å; G226-T230 PolarHBondContact O-N 2.61Å; G226-T230 PolarHBondContact O-OG1 3Å
227	F	91.7	Very high	88.5	Confident	24 Å²	24	22.8 Å²	22.8	11%	0.105	12%	0.118	C	C	.	.	H	α-helix	trans	-61.4	-44.9	172.5	178.1	-98.3	0	0	0	112.5	N223 V224 I225 T230 I231 T257 F436 C439 L440	N223-F227 PolarHBondContact O-N 3.03Å; V224-F227 WeakPolarHBondContact O-CB 3.42Å; V224-F227 PolarHBondContact O-N 3.37Å; I225-F227 VanDerWaalsContact C-N 3.33Å; I225-F227 PolarHBondContact O-N 2.92Å; F227-T230 PolarHBondContact O-N 2.74Å; F227-I231 HydrophobicContact CD1-CD1 3.9Å; F227-I231 HydrophobicContact CE1-CD1 3.23Å; F227-I231 HydrophobicContact CE1-CG1 4.29Å; F227-I231 HydrophobicContact CE2-CD1 4.29Å; F227-I231 HydrophobicContact CZ-CD1 3.47Å; F227-I231 VanDerWaalsContact CZ-CD1 3.47Å; F227-I231 HydrophobicContact CZ-CG1 4.38Å; F227-I231 PolarHBondContact O-N 2.96Å; F227-I231 VanDerWaalsContact O-N 3.15Å; F227-T257 HydrophobicContact CD1-CG2 3.63Å; F227-T257 WeakPolarHBondContact CD1-OG1 3.43Å; F227-T257 HydrophobicContact CE1-CG2 3.75Å; F227-T257 WeakPolarHBondContact CE1-OG1 3.42Å; F227-T257 HydrophobicContact CG-CG2 4.42Å; F227-F436 HydrophobicContact CD2-CB 4.17Å; F227-F436 AromaticContact CD2-CD1 3.53Å; F227-F436 HydrophobicContact CD2-CD1 3.53Å; F227-F436 HydrophobicContact CD2-CE1 4.15Å; F227-F436 HydrophobicContact CD2-CG 4.03Å; F227-F436 HydrophobicContact CE2-CB 3.89Å; F227-F436 AromaticContact CE2-CD1 3.49Å; F227-F436 HydrophobicContact CE2-CD1 3.49Å; F227-F436 VanDerWaalsContact CE2-CD1 3.49Å; F227-F436 HydrophobicContact CE2-CD2 4.27Å; F227-F436 HydrophobicContact CE2-CE1 4.01Å; F227-F436 AromaticContact CE2-CG 3.63Å; F227-F436 HydrophobicContact CE2-CG 3.63Å; F227-C439 HydrophobicContact CB-CB 3.8Å; F227-L440 HydrophobicContact CD2-CD1 4.35Å; F227-L440 HydrophobicContact CD2-CD2 4.05Å; F227-L440 HydrophobicContact CD2-CG 3.94Å; F227-L440 HydrophobicContact CE2-CD1 3.86Å; F227-L440 HydrophobicContact CE2-CD2 4.07Å; F227-L440 HydrophobicContact CE2-CG 3.96Å; F227-L440 HydrophobicContact CG-CD2 4.28Å; F227-L440 HydrophobicContact CZ-CD1 4.41Å; F227-L440 HydrophobicContact CZ-CD2 4.29Å
228	A	91.5	Very high	88.1	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-66.4	-37.5	180	0	0	0	0	0	112.5	V224 I225 I231 S232 I250 I253	V224-A228 WeakPolarHBondContact O-CB 3.48Å; V224-A228 PolarHBondContact O-N 2.95Å; I225-A228 PolarHBondContact O-N 2.92Å; I225-A228 VanDerWaalsContact O-N 3.13Å; A228-I231 PolarHBondContact O-N 2.85Å; A228-S232 WeakPolarHBondContact O-CB 3.32Å; A228-S232 PolarHBondContact O-N 3.31Å; A228-I250 HydrophobicContact CB-CG2 3.93Å; A228-I250 WeakPolarHBondContact CB-O 3.42Å; A228-I253 HydrophobicContact CB-CB 3.94Å; A228-I253 HydrophobicContact CB-CG2 3.78Å
229	E	86	Confident	87.5	Confident	40 Å²	40	32.9 Å²	32.9	19%	0.187	18%	0.18	C	C	.	.	H	α-helix	trans	-60	-46.2	174.3	-172.2	178.9	159.5	0	0	111	R147 I225 G226 I231 S232 S233 N418	R147-E229 IonicContact NH2-OE2 2.73Å; I225-E229 WeakPolarHBondContact O-CB 3.44Å; I225-E229 PolarHBondContact O-N 3.46Å; G226-E229 PolarHBondContact O-N 3.45Å; E229-I231 PolarHBondContact O-N 3.48Å; E229-S232 PolarHBondContact O-N 3.14Å; E229-S233 PolarHBondContact O-N 3.3Å; E229-N418 PolarHBondContact OE1-ND2 3.5Å
230	T	87.7	Confident	87.1	Confident	1 Å²	1	37.8 Å²	37.8	1%	0.006	21%	0.206	C	C	.	.	H	α-helix	trans	-63	-41.2	177.1	-53.4	0	0	0	0	112.3	G226 F227 S233 F234 I435 F436	G226-T230 PolarHBondContact O-N 2.61Å; G226-T230 PolarHBondContact O-OG1 3Å; F227-T230 PolarHBondContact O-N 2.74Å; T230-S233 WeakPolarHBondContact O-CB 3.22Å; T230-S233 PolarHBondContact O-N 3.44Å; T230-F234 HydrophobicContact CG2-CD2 4.3Å; T230-F234 HydrophobicContact CG2-CE2 3.81Å; T230-F234 WeakPolarHBondContact O-CD2 3.43Å; T230-F234 PolarHBondContact O-N 3.23Å; T230-I435 HydrophobicContact CG2-CG2 4.12Å; T230-I435 WeakPolarHBondContact OG1-CG2 3.46Å; T230-F436 HydrophobicContact CG2-CD1 4.22Å; T230-F436 HydrophobicContact CG2-CE1 3.53Å; T230-F436 HydrophobicContact CG2-CZ 4.26Å
231	I	89.3	Confident	86.7	Confident	44 Å²	44	41.7 Å²	41.7	23%	0.226	23%	0.233	C	C	.	.	H	α-helix	trans	-65	-43.4	174.6	-67.9	-179.7	0	0	0	111	F227 A228 E229 S233 F234 L235 I253 F436	F227-I231 HydrophobicContact CD1-CD1 3.9Å; F227-I231 HydrophobicContact CE1-CD1 3.23Å; F227-I231 HydrophobicContact CE1-CG1 4.29Å; F227-I231 HydrophobicContact CE2-CD1 4.29Å; F227-I231 HydrophobicContact CZ-CD1 3.47Å; F227-I231 VanDerWaalsContact CZ-CD1 3.47Å; F227-I231 HydrophobicContact CZ-CG1 4.38Å; F227-I231 PolarHBondContact O-N 2.96Å; F227-I231 VanDerWaalsContact O-N 3.15Å; A228-I231 PolarHBondContact O-N 2.85Å; E229-I231 PolarHBondContact O-N 3.48Å; I231-S233 VanDerWaalsContact C-N 3.29Å; I231-S233 PolarHBondContact O-N 3.14Å; I231-F234 PolarHBondContact O-N 3.24Å; I231-F234 VanDerWaalsContact O-N 3.15Å; I231-L235 HydrophobicContact CG2-CD1 4.17Å; I231-L235 HydrophobicContact CG2-CG 4.38Å; I231-L235 WeakPolarHBondContact O-CG 3.1Å; I231-L235 PolarHBondContact O-N 2.9Å; I231-I253 HydrophobicContact CB-CD1 4.32Å; I231-I253 HydrophobicContact CB-CG2 4.27Å; I231-I253 HydrophobicContact CD1-CG2 3.94Å; I231-I253 HydrophobicContact CG2-CD1 3.81Å; I231-I253 HydrophobicContact CG2-CG2 4.33Å; I231-F436 HydrophobicContact CG1-CE1 3.95Å; I231-F436 HydrophobicContact CG1-CZ 3.9Å
232	S	87.6	Confident	86	Confident	8 Å²	8	45.8 Å²	45.8	6%	0.056	25%	0.254	C	S	.	.	H	α-helix	trans	-59.7	-41.8	178	-163.2	0	0	0	0	111.1	A228 E229 F234 L235 T236	A228-S232 WeakPolarHBondContact O-CB 3.32Å; A228-S232 PolarHBondContact O-N 3.31Å; E229-S232 PolarHBondContact O-N 3.14Å; S232-F234 VanDerWaalsContact C-N 3.32Å; S232-F234 PolarHBondContact O-N 3.39Å; S232-L235 PolarHBondContact O-N 3.31Å; S232-L235 VanDerWaalsContact O-N 3.16Å; S232-T236 PolarHBondContact O-N 3.23Å; S232-T236 PolarHBondContact O-OG1 3.27Å; S232-T236 VanDerWaalsContact O-OG1 3.07Å
233	S	82.7	Confident	85.6	Confident	34 Å²	34	50 Å²	50	24%	0.238	28%	0.279	C	S	.	.	H	α-helix	trans	-56	-44.3	174.3	-175.5	0	0	0	0	111.6	E229 T230 I231 T236 Q237 D419	E229-S233 PolarHBondContact O-N 3.3Å; T230-S233 WeakPolarHBondContact O-CB 3.22Å; T230-S233 PolarHBondContact O-N 3.44Å; I231-S233 VanDerWaalsContact C-N 3.29Å; I231-S233 PolarHBondContact O-N 3.14Å; S233-T236 PolarHBondContact O-N 2.93Å; S233-Q237 WeakPolarHBondContact O-CB 3.37Å; S233-Q237 VanDerWaalsContact O-CG 3.28Å; S233-Q237 WeakPolarHBondContact O-CG 3.39Å; S233-Q237 PolarHBondContact O-N 3.41Å; S233-Q237 PolarHBondContact OG-NE2 3.2Å; S233-D419 PolarHBondContact OG-OD2 3.47Å
234	F	84	Confident	85	Confident	70 Å²	70	53.9 Å²	53.9	31%	0.307	30%	0.3	S	S	.	.	H	α-helix	trans	-66.6	-38.5	175.6	-75.7	-63	0	0	0	114	T230 I231 S232 Q237 A238 T432 F436	T230-F234 HydrophobicContact CG2-CD2 4.3Å; T230-F234 HydrophobicContact CG2-CE2 3.81Å; T230-F234 WeakPolarHBondContact O-CD2 3.43Å; T230-F234 PolarHBondContact O-N 3.23Å; I231-F234 PolarHBondContact O-N 3.24Å; I231-F234 VanDerWaalsContact O-N 3.15Å; S232-F234 VanDerWaalsContact C-N 3.32Å; S232-F234 PolarHBondContact O-N 3.39Å; F234-Q237 PolarHBondContact O-N 2.87Å; F234-A238 WeakPolarHBondContact O-CB 3.49Å; F234-A238 PolarHBondContact O-N 3.42Å; F234-A238 VanDerWaalsContact O-N 3.08Å; F234-T432 HydrophobicContact CE2-CG2 3.33Å; F234-T432 HydrophobicContact CZ-CG2 3.42Å; F234-T432 VanDerWaalsContact CZ-CG2 3.42Å; F234-F436 HydrophobicContact CD2-CZ 4.38Å; F234-F436 HydrophobicContact CE2-CZ 4.19Å
235	L	86.6	Confident	84	Confident	41 Å²	41	55.1 Å²	55.1	22%	0.215	31%	0.313	C	S	.	.	H	α-helix	trans	-62.9	-46.5	176.5	-69.4	173.8	0	0	0	110.1	I231 S232 Q237 A238 D239 L240 I242 I253	I231-L235 HydrophobicContact CG2-CD1 4.17Å; I231-L235 HydrophobicContact CG2-CG 4.38Å; I231-L235 WeakPolarHBondContact O-CG 3.1Å; I231-L235 PolarHBondContact O-N 2.9Å; S232-L235 PolarHBondContact O-N 3.31Å; S232-L235 VanDerWaalsContact O-N 3.16Å; L235-Q237 PolarHBondContact O-N 2.94Å; L235-A238 CarbonylContact O-C 3.59Å; L235-A238 PolarHBondContact O-N 3.31Å; L235-D239 PolarHBondContact O-N 3.41Å; L235-L240 CarbonylContact C-O 3.56Å; L235-L240 HydrophobicContact CB-CB 4.3Å; L235-L240 WeakPolarHBondContact CB-O 3.24Å; L235-L240 HydrophobicContact CD2-CB 4.09Å; L235-L240 HydrophobicContact CD2-CD1 4.21Å; L235-L240 WeakPolarHBondContact O-CA 3.35Å; L235-L240 PolarHBondContact O-N 2.95Å; L235-L240 VanDerWaalsContact O-O 3.06Å; L235-I242 HydrophobicContact CD1-CD1 3.82Å; L235-I242 HydrophobicContact CD1-CG1 3.9Å; L235-I253 HydrophobicContact CD1-CD1 4.08Å
236	T	82.4	Confident	83.6	Confident	77 Å²	77	56.4 Å²	56.4	47%	0.472	33%	0.326	S	S	.	.	H	α-helix	trans	-63.1	-39.9	176.8	-52.2	0	0	0	0	112.3	S232 S233 A238 D239	S232-T236 PolarHBondContact O-N 3.23Å; S232-T236 PolarHBondContact O-OG1 3.27Å; S232-T236 VanDerWaalsContact O-OG1 3.07Å; S233-T236 PolarHBondContact O-N 2.93Å; T236-A238 PolarHBondContact O-N 2.91Å; T236-D239 PolarHBondContact O-N 3.36Å; T236-D239 VanDerWaalsContact O-N 3.14Å
237	Q	77.8	Confident	83.5	Confident	127 Å²	127	58.7 Å²	58.7	59%	0.593	34%	0.34	S	S	*	.	H	α-helix	trans	-64.1	-24.9	174.2	-74.1	173.5	24.7	0	0	113.3	S233 F234 L235	S233-Q237 WeakPolarHBondContact O-CB 3.37Å; S233-Q237 VanDerWaalsContact O-CG 3.28Å; S233-Q237 WeakPolarHBondContact O-CG 3.39Å; S233-Q237 PolarHBondContact O-N 3.41Å; S233-Q237 PolarHBondContact OG-NE2 3.2Å; F234-Q237 PolarHBondContact O-N 2.87Å; L235-Q237 PolarHBondContact O-N 2.94Å
238	A	83.4	Confident	83.3	Confident	60 Å²	60	60.5 Å²	60.5	50%	0.496	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	11.5	176.6	0	0	0	0	0	113.4	F234 L235 T236 L240	F234-A238 WeakPolarHBondContact O-CB 3.49Å; F234-A238 PolarHBondContact O-N 3.42Å; F234-A238 VanDerWaalsContact O-N 3.08Å; L235-A238 CarbonylContact O-C 3.59Å; L235-A238 PolarHBondContact O-N 3.31Å; T236-A238 PolarHBondContact O-N 2.91Å; A238-L240 HydrophobicContact CB-CD1 4.18Å; A238-L240 HydrophobicContact CB-CG 4.3Å; A238-L240 PolarHBondContact O-N 2.8Å
239	D	79.2	Confident	83.2	Confident	159 Å²	159	60.5 Å²	60.5	85%	0.85	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	32.1	-173.8	-65.8	-44.7	0	0	0	113.8	L235 T236	L235-D239 PolarHBondContact O-N 3.41Å; T236-D239 PolarHBondContact O-N 3.36Å; T236-D239 VanDerWaalsContact O-N 3.14Å
240	L	84.5	Confident	83.4	Confident	103 Å²	103	59.8 Å²	59.8	54%	0.539	35%	0.348	S	S	.	.			trans	-109.3	139.8	176.6	-63.6	173	0	0	0	110.9	L235 A238	L235-L240 CarbonylContact C-O 3.56Å; L235-L240 HydrophobicContact CB-CB 4.3Å; L235-L240 WeakPolarHBondContact CB-O 3.24Å; L235-L240 HydrophobicContact CD2-CB 4.09Å; L235-L240 HydrophobicContact CD2-CD1 4.21Å; L235-L240 WeakPolarHBondContact O-CA 3.35Å; L235-L240 PolarHBondContact O-N 2.95Å; L235-L240 VanDerWaalsContact O-O 3.06Å; A238-L240 HydrophobicContact CB-CD1 4.18Å; A238-L240 HydrophobicContact CB-CG 4.3Å; A238-L240 PolarHBondContact O-N 2.8Å
241	S	82.4	Confident	83.6	Confident	81 Å²	81	64 Å²	64	57%	0.566	36%	0.364	S	S	*	.			trans	-134.3	144.7	168.5	58.9	0	0	0	0	110
242	I	78.3	Confident	83.8	Confident	87 Å²	87	65.2 Å²	65.2	45%	0.446	37%	0.37	S	S	.	.	S	Bend	trans	-83.8	-48.8	178.5	-57.5	176.2	0	0	0	109.3	L235 D249 I253	L235-I242 HydrophobicContact CD1-CD1 3.82Å; L235-I242 HydrophobicContact CD1-CG1 3.9Å; I242-D249 PolarHBondContact N-OD2 2.84Å; I242-I253 HydrophobicContact CD1-CD1 3.76Å; I242-I253 HydrophobicContact CD1-CG1 3.69Å
243	V	81.2	Confident	84	Confident	92 Å²	92	65.7 Å²	65.7	56%	0.558	37%	0.372	S	S	*	.	S	Bend	trans	-127.8	-61.2	176.3	-175.5	0	0	0	0	110.3	D249 I252	V243-D249 WeakPolarHBondContact CA-OD1 3.39Å; V243-D249 WeakPolarHBondContact CB-OD1 3.27Å; V243-D249 PolarHBondContact N-OD1 3.11Å; V243-I252 HydrophobicContact CG2-CD1 3.48Å; V243-I252 VanDerWaalsContact CG2-CD1 3.48Å
244	D	78.9	Confident	84.5	Confident	83 Å²	83	64.1 Å²	64.1	44%	0.444	36%	0.361	S	S	.	.	S	Bend	trans	-133.2	-2.4	-174.3	61.9	10.8	0	0	0	114.3	G246 N248 D249	D244-G246 PolarHBondContact O-N 3.21Å; D244-G246 WeakPolarHBondContact OD1-CA 3.43Å; D244-G246 PolarHBondContact OD1-N 3.1Å; D244-N248 PolarHBondContact OD2-ND2 3.21Å; D244-D249 PolarHBondContact N-OD1 3.05Å; D244-D249 VanDerWaalsContact N-OD1 3.16Å
245	G	71.7	Confident	85	Confident	25 Å²	25	62.2 Å²	62.2	26%	0.258	36%	0.358	S	S	.	.	S	Bend	trans	67.8	11.8	-175.2	0	0	0	0	0	113.3	D249	G245-D249 VanDerWaalsContact CA-OD2 3.28Å; G245-D249 WeakPolarHBondContact CA-OD2 3.42Å; G245-D249 PolarHBondContact N-OD2 3.16Å
246	G	81.7	Confident	85.4	Confident	28 Å²	28	63.9 Å²	63.9	29%	0.289	37%	0.372	S	S	.	.	S	Bend	trans	-123.7	-139	-176.1	0	0	0	0	0	112.6	D244 N248 D249 I250	D244-G246 PolarHBondContact O-N 3.21Å; D244-G246 WeakPolarHBondContact OD1-CA 3.43Å; D244-G246 PolarHBondContact OD1-N 3.1Å; G246-N248 VanDerWaalsContact C-N 3.28Å; G246-N248 PolarHBondContact O-N 2.74Å; G246-D249 PolarHBondContact O-N 3.29Å; G246-I250 PolarHBondContact O-N 3.26Å
247	V	84.8	Confident	86	Confident	48 Å²	48	61 Å²	61	29%	0.291	36%	0.355	S	S	.	.	H	α-helix	trans	-66.1	-29.3	-171.5	-176.7	0	0	0	0	112.3	I250 R251	V247-I250 PolarHBondContact O-N 3.12Å; V247-R251 HydrophobicContact CG1-CG 4.5Å; V247-R251 VanDerWaalsContact O-CG 3.29Å; V247-R251 WeakPolarHBondContact O-CG 3.41Å; V247-R251 PolarHBondContact O-N 2.98Å
248	N	88.4	Confident	86.8	Confident	62 Å²	62	55 Å²	55	33%	0.332	33%	0.327	S	S	.	.	H	α-helix	trans	-71.3	-35.7	179.6	-68.1	-41.3	0	0	0	111.9	D244 G246 I250 R251 I252	D244-N248 PolarHBondContact OD2-ND2 3.21Å; G246-N248 VanDerWaalsContact C-N 3.28Å; G246-N248 PolarHBondContact O-N 2.74Å; N248-I250 VanDerWaalsContact C-N 3.35Å; N248-R251 WeakPolarHBondContact O-CB 3.34Å; N248-R251 PolarHBondContact O-N 2.82Å; N248-R251 PolarHBondContact OD1-NH1 2.89Å; N248-I252 VanDerWaalsContact O-CG1 3.31Å; N248-I252 WeakPolarHBondContact O-CG1 3.06Å; N248-I252 PolarHBondContact O-N 2.77Å
249	D	89.2	Confident	87.3	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.005	32%	0.324	C	S	.	.	H	α-helix	trans	-62.8	-44.5	173.6	-70.2	14.4	0	0	0	110.3	I242 V243 D244 G245 G246 R251 I252 I253	I242-D249 PolarHBondContact N-OD2 2.84Å; V243-D249 WeakPolarHBondContact CA-OD1 3.39Å; V243-D249 WeakPolarHBondContact CB-OD1 3.27Å; V243-D249 PolarHBondContact N-OD1 3.11Å; D244-D249 PolarHBondContact N-OD1 3.05Å; D244-D249 VanDerWaalsContact N-OD1 3.16Å; G245-D249 VanDerWaalsContact CA-OD2 3.28Å; G245-D249 WeakPolarHBondContact CA-OD2 3.42Å; G245-D249 PolarHBondContact N-OD2 3.16Å; G246-D249 PolarHBondContact O-N 3.29Å; D249-R251 VanDerWaalsContact C-N 3.33Å; D249-R251 PolarHBondContact O-N 2.91Å; D249-I252 PolarHBondContact O-N 3.25Å; D249-I253 WeakPolarHBondContact O-CB 3.06Å; D249-I253 WeakPolarHBondContact O-CD1 3.35Å; D249-I253 VanDerWaalsContact O-CG1 3.25Å; D249-I253 WeakPolarHBondContact O-CG1 3.39Å; D249-I253 PolarHBondContact O-N 3.39Å
250	I	89	Confident	87.9	Confident	25 Å²	25	52.5 Å²	52.5	13%	0.128	31%	0.31	C	S	.	.	H	α-helix	trans	-58.5	-44	174.3	-62.5	174	0	0	0	111	I225 A228 G246 V247 N248 G254	I225-I250 HydrophobicContact CG2-CG2 4.09Å; A228-I250 HydrophobicContact CB-CG2 3.93Å; A228-I250 WeakPolarHBondContact CB-O 3.42Å; G246-I250 PolarHBondContact O-N 3.26Å; V247-I250 PolarHBondContact O-N 3.12Å; N248-I250 VanDerWaalsContact C-N 3.35Å; I250-G254 WeakPolarHBondContact O-CA 3.27Å; I250-G254 PolarHBondContact O-N 2.67Å
251	R	92.9	Very high	88.2	Confident	88 Å²	88	48.3 Å²	48.3	33%	0.332	29%	0.288	S	S	.	.	H	α-helix	trans	-62.6	-43.5	177.8	-73.4	167.4	176.7	161.7	2.7	112.3	V247 N248 D249 A255 S495 I496	V247-R251 HydrophobicContact CG1-CG 4.5Å; V247-R251 VanDerWaalsContact O-CG 3.29Å; V247-R251 WeakPolarHBondContact O-CG 3.41Å; V247-R251 PolarHBondContact O-N 2.98Å; N248-R251 WeakPolarHBondContact O-CB 3.34Å; N248-R251 PolarHBondContact O-N 2.82Å; N248-R251 PolarHBondContact OD1-NH1 2.89Å; D249-R251 VanDerWaalsContact C-N 3.33Å; D249-R251 PolarHBondContact O-N 2.91Å; R251-A255 VanDerWaalsContact O-CB 3.27Å; R251-A255 WeakPolarHBondContact O-CB 3.43Å; R251-A255 PolarHBondContact O-N 2.89Å; R251-S495 PolarHBondContact NE-O 3.01Å; R251-S495 PolarHBondContact NH2-O 3.31Å; R251-I496 PolarHBondContact NH2-O 2.96Å
252	I	92.4	Very high	88.6	Confident	70 Å²	70	46.5 Å²	46.5	36%	0.359	27%	0.27	S	S	.	.	H	α-helix	trans	-67.7	-52	-179.3	-67.4	164.9	0	0	0	110.2	V243 N248 D249 G254 A255 C256	V243-I252 HydrophobicContact CG2-CD1 3.48Å; V243-I252 VanDerWaalsContact CG2-CD1 3.48Å; N248-I252 VanDerWaalsContact O-CG1 3.31Å; N248-I252 WeakPolarHBondContact O-CG1 3.06Å; N248-I252 PolarHBondContact O-N 2.77Å; D249-I252 PolarHBondContact O-N 3.25Å; I252-G254 VanDerWaalsContact C-N 3.28Å; I252-G254 PolarHBondContact O-N 3.34Å; I252-A255 PolarHBondContact O-N 2.65Å; I252-C256 PolarHBondContact O-N 3.43Å; I252-C256 PolarHBondContact O-SG 2.94Å; I252-C256 VanDerWaalsContact O-SG 3.4Å
253	I	92.4	Very high	89.1	Confident	19 Å²	19	46 Å²	46	10%	0.097	27%	0.271	C	S	.	.	H	α-helix	trans	-59.7	-43.6	178.7	-63.8	162.3	0	0	0	110	A228 I231 L235 I242 D249 C256 T257	A228-I253 HydrophobicContact CB-CB 3.94Å; A228-I253 HydrophobicContact CB-CG2 3.78Å; I231-I253 HydrophobicContact CB-CD1 4.32Å; I231-I253 HydrophobicContact CB-CG2 4.27Å; I231-I253 HydrophobicContact CD1-CG2 3.94Å; I231-I253 HydrophobicContact CG2-CD1 3.81Å; I231-I253 HydrophobicContact CG2-CG2 4.33Å; L235-I253 HydrophobicContact CD1-CD1 4.08Å; I242-I253 HydrophobicContact CD1-CD1 3.76Å; I242-I253 HydrophobicContact CD1-CG1 3.69Å; D249-I253 WeakPolarHBondContact O-CB 3.06Å; D249-I253 WeakPolarHBondContact O-CD1 3.35Å; D249-I253 VanDerWaalsContact O-CG1 3.25Å; D249-I253 WeakPolarHBondContact O-CG1 3.39Å; D249-I253 PolarHBondContact O-N 3.39Å; I253-C256 PolarHBondContact O-N 3.16Å; I253-T257 WeakPolarHBondContact O-CB 3.45Å; I253-T257 PolarHBondContact O-N 3.16Å; I253-T257 PolarHBondContact O-OG1 3.41Å
254	G	93.3	Very high	89.3	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.1	-47.6	177	0	0	0	0	0	112.3	V224 I250 I252 C256 T257 Q258	V224-G254 WeakPolarHBondContact CG1-O 3.46Å; I250-G254 WeakPolarHBondContact O-CA 3.27Å; I250-G254 PolarHBondContact O-N 2.67Å; I252-G254 VanDerWaalsContact C-N 3.28Å; I252-G254 PolarHBondContact O-N 3.34Å; G254-C256 PolarHBondContact O-N 3.2Å; G254-T257 PolarHBondContact O-N 3.44Å; G254-Q258 VanDerWaalsContact O-CB 3.32Å; G254-Q258 WeakPolarHBondContact O-CB 3.21Å; G254-Q258 PolarHBondContact O-N 2.92Å
255	A	94.7	Very high	89.6	Confident	30 Å²	30	40.9 Å²	40.9	25%	0.248	24%	0.241	C	C	.	.	H	α-helix	trans	-62	-44.3	177.7	0	0	0	0	0	112.2	R251 I252 T257 Q258 L259 L491	R251-A255 VanDerWaalsContact O-CB 3.27Å; R251-A255 WeakPolarHBondContact O-CB 3.43Å; R251-A255 PolarHBondContact O-N 2.89Å; I252-A255 PolarHBondContact O-N 2.65Å; A255-T257 PolarHBondContact O-N 2.86Å; A255-Q258 PolarHBondContact O-N 2.88Å; A255-L259 WeakPolarHBondContact O-CB 3.41Å; A255-L259 VanDerWaalsContact O-CG 3.29Å; A255-L259 WeakPolarHBondContact O-CG 3.34Å; A255-L259 PolarHBondContact O-N 3.1Å; A255-L491 HydrophobicContact CB-CD2 3.99Å
256	C	95.2	Very high	90.2	Very high	76 Å²	76	42 Å²	42	51%	0.514	24%	0.239	S	C	.	.	H	α-helix	trans	-61	-44	175.3	-71.8	0	0	0	0	111.9	I252 I253 G254 L259 C260	I252-C256 PolarHBondContact O-N 3.43Å; I252-C256 PolarHBondContact O-SG 2.94Å; I252-C256 VanDerWaalsContact O-SG 3.4Å; I253-C256 PolarHBondContact O-N 3.16Å; G254-C256 PolarHBondContact O-N 3.2Å; C256-L259 PolarHBondContact O-N 3.44Å; C256-C260 WeakPolarHBondContact O-CB 3.49Å; C256-C260 PolarHBondContact O-N 2.64Å
257	T	93.9	Very high	90.2	Very high	18 Å²	18	46.6 Å²	46.6	11%	0.11	26%	0.256	C	S	.	.	H	α-helix	trans	-64.4	-46	178.5	-56.6	0	0	0	0	111.2	V224 F227 I253 G254 A255 L259 C260 L261 L440	V224-T257 HydrophobicContact CG1-CG2 4.18Å; V224-T257 HydrophobicContact CG2-CG2 4.4Å; F227-T257 HydrophobicContact CD1-CG2 3.63Å; F227-T257 WeakPolarHBondContact CD1-OG1 3.43Å; F227-T257 HydrophobicContact CE1-CG2 3.75Å; F227-T257 WeakPolarHBondContact CE1-OG1 3.42Å; F227-T257 HydrophobicContact CG-CG2 4.42Å; I253-T257 WeakPolarHBondContact O-CB 3.45Å; I253-T257 PolarHBondContact O-N 3.16Å; I253-T257 PolarHBondContact O-OG1 3.41Å; G254-T257 PolarHBondContact O-N 3.44Å; A255-T257 PolarHBondContact O-N 2.86Å; T257-L259 VanDerWaalsContact C-N 3.31Å; T257-L259 PolarHBondContact O-N 3.13Å; T257-C260 WeakPolarHBondContact O-CB 3.45Å; T257-C260 PolarHBondContact O-N 2.93Å; T257-C260 VanDerWaalsContact O-N 3.16Å; T257-L261 HydrophobicContact CG2-CD1 4.3Å; T257-L261 HydrophobicContact CG2-CG 4.48Å; T257-L261 WeakPolarHBondContact O-CG 3.25Å; T257-L261 PolarHBondContact O-N 2.98Å; T257-L440 HydrophobicContact CG2-CD2 3.81Å
258	Q	94.3	Very high	89.5	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-59.5	-40.9	176.8	-175.7	71.8	1	0	0	111.8	V224 G254 A255 F262 T487 L491 I494	V224-Q258 HydrophobicContact CG1-CB 4.43Å; G254-Q258 VanDerWaalsContact O-CB 3.32Å; G254-Q258 WeakPolarHBondContact O-CB 3.21Å; G254-Q258 PolarHBondContact O-N 2.92Å; A255-Q258 PolarHBondContact O-N 2.88Å; Q258-F262 VanDerWaalsContact O-CB 3.31Å; Q258-F262 WeakPolarHBondContact O-CB 3.44Å; Q258-F262 PolarHBondContact O-N 2.84Å; Q258-T487 HydrophobicContact CG-CG2 4.24Å; Q258-L491 HydrophobicContact CB-CD2 4.11Å; Q258-L491 HydrophobicContact CG-CD2 4Å; Q258-L491 HydrophobicContact CG-CG 4.2Å; Q258-I494 HydrophobicContact CB-CD1 3.61Å; Q258-I494 HydrophobicContact CG-CD1 3.81Å
259	L	94.1	Very high	88.6	Confident	83 Å²	83	43.5 Å²	43.5	44%	0.435	24%	0.241	S	C	.	.	H	α-helix	trans	-68.4	-38.6	175.4	-71.7	172.9	0	0	0	112.2	A255 C256 T257 F262 V263 L491	A255-L259 WeakPolarHBondContact O-CB 3.41Å; A255-L259 VanDerWaalsContact O-CG 3.29Å; A255-L259 WeakPolarHBondContact O-CG 3.34Å; A255-L259 PolarHBondContact O-N 3.1Å; C256-L259 PolarHBondContact O-N 3.44Å; T257-L259 VanDerWaalsContact C-N 3.31Å; T257-L259 PolarHBondContact O-N 3.13Å; L259-F262 WeakPolarHBondContact O-CB 3.28Å; L259-F262 PolarHBondContact O-N 3.49Å; L259-V263 WeakPolarHBondContact O-CG2 3.48Å; L259-V263 PolarHBondContact O-N 2.91Å; L259-L491 HydrophobicContact CD2-CD1 4.27Å
260	C	92	Very high	87.6	Confident	84 Å²	84	46.2 Å²	46.2	57%	0.568	26%	0.263	S	S	*	.	H	α-helix	trans	-63.4	-47.8	175.3	-173.8	0	0	0	0	111.5	C256 T257 F262 V263 L264	C256-C260 WeakPolarHBondContact O-CB 3.49Å; C256-C260 PolarHBondContact O-N 2.64Å; T257-C260 WeakPolarHBondContact O-CB 3.45Å; T257-C260 PolarHBondContact O-N 2.93Å; T257-C260 VanDerWaalsContact O-N 3.16Å; C260-F262 VanDerWaalsContact C-N 3.31Å; C260-F262 PolarHBondContact O-N 3.4Å; C260-V263 PolarHBondContact O-N 3.31Å; C260-L264 PolarHBondContact O-N 3.3Å
261	L	91	Very high	86.8	Confident	14 Å²	14	52.6 Å²	52.6	7%	0.073	29%	0.286	C	S	.	.	H	α-helix	trans	-61.2	-40.4	174.9	-69.9	177.6	0	0	0	111.7	V224 T257 L264 V265 L440 L447	V224-L261 HydrophobicContact CG2-CD1 3.9Å; T257-L261 HydrophobicContact CG2-CD1 4.3Å; T257-L261 HydrophobicContact CG2-CG 4.48Å; T257-L261 WeakPolarHBondContact O-CG 3.25Å; T257-L261 PolarHBondContact O-N 2.98Å; L261-L264 PolarHBondContact O-N 3.14Å; L261-V265 WeakPolarHBondContact O-CG2 3.15Å; L261-V265 PolarHBondContact O-N 2.99Å; L261-L440 HydrophobicContact CD1-CD2 4.23Å; L261-L440 HydrophobicContact CD2-CD2 4.16Å; L261-L440 HydrophobicContact CG-CD2 4.44Å; L261-L447 HydrophobicContact CB-CD1 3.65Å; L261-L447 HydrophobicContact CD1-CD1 4.31Å
262	F	90.6	Very high	85.8	Confident	44 Å²	44	48.7 Å²	48.7	19%	0.193	27%	0.271	C	S	.	.	H	α-helix	trans	-58.3	-48.7	173.3	165.8	-107.4	0	0	0	111.8	Q258 L259 C260 L264 V265 M266 T483 V484 T487	Q258-F262 VanDerWaalsContact O-CB 3.31Å; Q258-F262 WeakPolarHBondContact O-CB 3.44Å; Q258-F262 PolarHBondContact O-N 2.84Å; L259-F262 WeakPolarHBondContact O-CB 3.28Å; L259-F262 PolarHBondContact O-N 3.49Å; C260-F262 VanDerWaalsContact C-N 3.31Å; C260-F262 PolarHBondContact O-N 3.4Å; F262-L264 VanDerWaalsContact C-N 3.3Å; F262-L264 PolarHBondContact O-N 3.09Å; F262-V265 PolarHBondContact O-N 2.77Å; F262-M266 HydrophobicContact CD2-CG 3.85Å; F262-M266 HydrophobicContact CE1-CG 4.16Å; F262-M266 HydrophobicContact CE2-CG 3.41Å; F262-M266 VanDerWaalsContact CE2-CG 3.41Å; F262-M266 HydrophobicContact CE2-SD 3.77Å; F262-M266 HydrophobicContact CG-CG 4.4Å; F262-M266 HydrophobicContact CZ-CE 4.48Å; F262-M266 HydrophobicContact CZ-CG 3.59Å; F262-M266 HydrophobicContact CZ-SD 4.09Å; F262-M266 WeakPolarHBondContact O-CB 3.23Å; F262-M266 WeakPolarHBondContact O-CG 3.46Å; F262-M266 PolarHBondContact O-N 2.76Å; F262-T483 HydrophobicContact CD2-CG2 4Å; F262-T483 HydrophobicContact CE2-CG2 4.15Å; F262-V484 HydrophobicContact CE2-CG2 3.85Å; F262-V484 HydrophobicContact CZ-CG2 3.81Å; F262-T487 HydrophobicContact CB-CG2 3.75Å; F262-T487 HydrophobicContact CD2-CG2 4.09Å; F262-T487 WeakPolarHBondContact CD2-OG1 3.4Å; F262-T487 HydrophobicContact CG-CG2 3.89Å
263	V	89.6	Confident	84.9	Confident	77 Å²	77	46.8 Å²	46.8	47%	0.467	26%	0.264	S	S	.	.	H	α-helix	trans	-59.8	-42.4	176.9	170.9	0	0	0	0	110.7	L259 C260 M266 I267	L259-V263 WeakPolarHBondContact O-CG2 3.48Å; L259-V263 PolarHBondContact O-N 2.91Å; C260-V263 PolarHBondContact O-N 3.31Å; V263-M266 PolarHBondContact O-N 2.87Å; V263-I267 HydrophobicContact CG1-CD1 3.73Å; V263-I267 HydrophobicContact CG1-CG1 4.34Å; V263-I267 VanDerWaalsContact O-CG1 3.27Å; V263-I267 WeakPolarHBondContact O-CG1 3.5Å; V263-I267 PolarHBondContact O-N 3.24Å
264	L	86	Confident	84.3	Confident	63 Å²	63	52.6 Å²	52.6	33%	0.33	29%	0.289	S	S	.	.	H	α-helix	trans	-60.5	-47.4	177.5	-173.6	148.9	0	0	0	112.3	C260 L261 F262 M266 I267 S268 L444	C260-L264 PolarHBondContact O-N 3.3Å; L261-L264 PolarHBondContact O-N 3.14Å; F262-L264 VanDerWaalsContact C-N 3.3Å; F262-L264 PolarHBondContact O-N 3.09Å; L264-M266 VanDerWaalsContact C-N 3.29Å; L264-M266 PolarHBondContact O-N 2.91Å; L264-I267 PolarHBondContact O-N 3.3Å; L264-S268 PolarHBondContact O-N 2.71Å; L264-L444 HydrophobicContact CD2-CD1 3.66Å; L264-L444 HydrophobicContact CD2-CD2 4.27Å
265	V	85.3	Confident	83.7	Confident	4 Å²	4	54.5 Å²	54.5	2%	0.024	30%	0.301	C	S	.	.	H	α-helix	trans	-63.5	-36.6	177	173.6	0	0	0	0	111.4	L261 F262 V269 L444 L447 V448 T483	L261-V265 WeakPolarHBondContact O-CG2 3.15Å; L261-V265 PolarHBondContact O-N 2.99Å; F262-V265 PolarHBondContact O-N 2.77Å; V265-V269 HydrophobicContact CG1-CG2 4.4Å; V265-L444 HydrophobicContact CG2-CD1 3.36Å; V265-L447 HydrophobicContact CG2-CB 4.16Å; V265-V448 HydrophobicContact CG1-CG2 4.2Å; V265-V448 HydrophobicContact CG2-CG2 4.36Å; V265-T483 HydrophobicContact CG1-CG2 3.89Å
266	M	84.1	Confident	83.1	Confident	47 Å²	47	53.3 Å²	53.3	23%	0.232	29%	0.29	C	S	.	.	H	α-helix	trans	-71.4	-31	178.8	-72.4	-66.4	-64.2	0	0	113.5	F262 V263 L264 R480 T483	F262-M266 HydrophobicContact CD2-CG 3.85Å; F262-M266 HydrophobicContact CE1-CG 4.16Å; F262-M266 HydrophobicContact CE2-CG 3.41Å; F262-M266 VanDerWaalsContact CE2-CG 3.41Å; F262-M266 HydrophobicContact CE2-SD 3.77Å; F262-M266 HydrophobicContact CG-CG 4.4Å; F262-M266 HydrophobicContact CZ-CE 4.48Å; F262-M266 HydrophobicContact CZ-CG 3.59Å; F262-M266 HydrophobicContact CZ-SD 4.09Å; F262-M266 WeakPolarHBondContact O-CB 3.23Å; F262-M266 WeakPolarHBondContact O-CG 3.46Å; F262-M266 PolarHBondContact O-N 2.76Å; V263-M266 PolarHBondContact O-N 2.87Å; L264-M266 VanDerWaalsContact C-N 3.29Å; L264-M266 PolarHBondContact O-N 2.91Å; M266-R480 HydrophobicContact CE-CB 3.92Å; M266-R480 HydrophobicContact CE-CG 3.79Å; M266-R480 HydrophobicContact SD-CB 4.08Å; M266-R480 HydrophobicContact SD-CG 3.95Å; M266-T483 HydrophobicContact SD-CG2 4.36Å
267	I	80.6	Confident	82.7	Confident	125 Å²	125	51.7 Å²	51.7	64%	0.641	28%	0.276	S	S	*	.	H	α-helix	trans	-68.7	-46.5	178.3	-72.4	165.1	0	0	0	110.4	V263 L264	V263-I267 HydrophobicContact CG1-CD1 3.73Å; V263-I267 HydrophobicContact CG1-CG1 4.34Å; V263-I267 VanDerWaalsContact O-CG1 3.27Å; V263-I267 WeakPolarHBondContact O-CG1 3.5Å; V263-I267 PolarHBondContact O-N 3.24Å; L264-I267 PolarHBondContact O-N 3.3Å
268	S	70	Confident	82.5	Confident	27 Å²	27	53.4 Å²	53.4	19%	0.189	29%	0.292	C	S	.	.			trans	-171.2	124	168.8	163.2	0	0	0	0	112.5	L264 A270 W271	L264-S268 PolarHBondContact O-N 2.71Å; S268-A270 PolarHBondContact O-N 3.22Å; S268-A270 WeakPolarHBondContact OG-CB 3.43Å; S268-A270 PolarHBondContact OG-N 2.94Å; S268-A270 VanDerWaalsContact OG-N 3.14Å; S268-W271 PolarHBondContact O-N 2.9Å
269	V	69.1	Low	82.3	Confident	19 Å²	19	54.6 Å²	54.6	12%	0.115	30%	0.298	C	S	.	.	H	α-helix	trans	-62.6	-27.4	172.4	-179	0	0	0	0	111.6	V265 W271 E272 V448 E478	V265-V269 HydrophobicContact CG1-CG2 4.4Å; V269-W271 PolarHBondContact O-N 2.83Å; V269-E272 WeakPolarHBondContact O-CB 3.48Å; V269-E272 PolarHBondContact O-N 3.47Å; V269-E272 VanDerWaalsContact O-N 3.1Å; V269-V448 HydrophobicContact CG1-CG1 3.94Å; V269-V448 HydrophobicContact CG1-CG2 4.3Å; V269-E478 HydrophobicContact CG2-CG 4.09Å; V269-E478 PolarHBondContact N-OE1 3.13Å
270	A	69.5	Low	82.2	Confident	57 Å²	57	52.8 Å²	52.8	47%	0.471	29%	0.287	S	S	.	.	H	α-helix	trans	-64.4	-24.5	179.3	0	0	0	0	0	114.4	S268 E272 S273	S268-A270 PolarHBondContact O-N 3.22Å; S268-A270 WeakPolarHBondContact OG-CB 3.43Å; S268-A270 PolarHBondContact OG-N 2.94Å; S268-A270 VanDerWaalsContact OG-N 3.14Å; A270-E272 VanDerWaalsContact C-N 3.28Å; A270-S273 PolarHBondContact O-OG 3.23Å
271	W	71.3	Confident	82.2	Confident	159 Å²	159	54.2 Å²	54.2	60%	0.602	28%	0.284	S	S	*	.	H	α-helix	trans	-73.9	-24.5	177.1	-80.7	80.1	0	0	0	112	S268 V269 S273 K274 T275	S268-W271 PolarHBondContact O-N 2.9Å; V269-W271 PolarHBondContact O-N 2.83Å; W271-S273 PolarHBondContact O-N 3.47Å; W271-K274 PolarHBondContact O-N 3.13Å; W271-K274 VanDerWaalsContact O-N 3.16Å; W271-T275 WeakPolarHBondContact O-CB 3.47Å; W271-T275 PolarHBondContact O-N 3.08Å; W271-T275 PolarHBondContact O-OG1 2.93Å
272	E	73.4	Confident	82.3	Confident	6 Å²	6	56.5 Å²	56.5	3%	0.028	30%	0.295	C	S	.	.	H	α-helix	trans	-57	-52.8	-177.9	172.7	-108.7	-137.9	0	0	111.6	R134 V269 A270 K274 T275 E276 L444 V448	R134-E272 IonicContact CZ-OE1 3.28Å; R134-E272 IonicContact NH1-OE1 3.52Å; R134-E272 PolarHBondContact NH1-OE1 3.03Å; R134-E272 IonicContact NH1-OE2 3.64Å; R134-E272 PolarHBondContact NH1-OE2 3.23Å; R134-E272 IonicContact NH2-OE1 2.89Å; R134-E272 PolarHBondContact NH2-OE1 2.97Å; V269-E272 WeakPolarHBondContact O-CB 3.48Å; V269-E272 PolarHBondContact O-N 3.47Å; V269-E272 VanDerWaalsContact O-N 3.1Å; A270-E272 VanDerWaalsContact C-N 3.28Å; E272-K274 VanDerWaalsContact C-N 3.25Å; E272-K274 PolarHBondContact O-N 3.41Å; E272-K274 VanDerWaalsContact O-N 3.16Å; E272-T275 CarbonylContact O-C 3.56Å; E272-T275 PolarHBondContact O-N 3.16Å; E272-T275 VanDerWaalsContact O-N 3.11Å; E272-E276 HydrophobicContact CG-CG 4.36Å; E272-E276 WeakPolarHBondContact O-CB 3.38Å; E272-E276 WeakPolarHBondContact O-CG 3.49Å; E272-E276 PolarHBondContact O-N 3.32Å; E272-L444 HydrophobicContact CB-CD2 4.17Å; E272-L444 HydrophobicContact CB-CG 4.38Å; E272-L444 HydrophobicContact CG-CD1 4.43Å; E272-L444 HydrophobicContact CG-CD2 3.77Å; E272-L444 HydrophobicContact CG-CG 3.71Å; E272-V448 HydrophobicContact CG-CG2 4.05Å; E272-V448 WeakPolarHBondContact OE1-CG2 3.45Å
273	S	72.2	Confident	82.4	Confident	31 Å²	31	54.6 Å²	54.6	22%	0.217	29%	0.287	C	S	.	.	H	α-helix	trans	-58.8	-31.2	178.5	67.5	0	0	0	0	114.9	F125 A270 W271 L277	F125-S273 WeakPolarHBondContact CE1-OG 3.36Å; A270-S273 PolarHBondContact O-OG 3.23Å; W271-S273 PolarHBondContact O-N 3.47Å; S273-L277 PolarHBondContact O-N 2.75Å
274	K	80.8	Confident	82.5	Confident	141 Å²	141	53.5 Å²	53.5	61%	0.613	28%	0.28	S	S	*	.	H	α-helix	trans	-76.6	-42.9	176.7	-67.4	-179.1	-178.5	176.4	0	110.8	W271 E272 L277 A278	W271-K274 PolarHBondContact O-N 3.13Å; W271-K274 VanDerWaalsContact O-N 3.16Å; E272-K274 VanDerWaalsContact C-N 3.25Å; E272-K274 PolarHBondContact O-N 3.41Å; E272-K274 VanDerWaalsContact O-N 3.16Å; K274-L277 PolarHBondContact O-N 2.9Å; K274-A278 PolarHBondContact O-N 3.36Å; K274-A278 VanDerWaalsContact O-N 3.08Å
275	T	81	Confident	82.9	Confident	40 Å²	40	54.5 Å²	54.5	25%	0.245	29%	0.285	C	S	.	.	H	α-helix	trans	-61.8	-46.3	175.2	-59	0	0	0	0	110.4	W271 E272 L277 A278 L279 L444	W271-T275 WeakPolarHBondContact O-CB 3.47Å; W271-T275 PolarHBondContact O-N 3.08Å; W271-T275 PolarHBondContact O-OG1 2.93Å; E272-T275 CarbonylContact O-C 3.56Å; E272-T275 PolarHBondContact O-N 3.16Å; E272-T275 VanDerWaalsContact O-N 3.11Å; T275-L277 VanDerWaalsContact C-N 3.28Å; T275-L277 PolarHBondContact O-N 3.42Å; T275-A278 WeakPolarHBondContact O-CB 3.39Å; T275-A278 PolarHBondContact O-N 2.92Å; T275-A278 VanDerWaalsContact O-N 3.07Å; T275-L279 HydrophobicContact CG2-CD1 4.01Å; T275-L279 HydrophobicContact CG2-CG 4.17Å; T275-L279 VanDerWaalsContact O-CG 3.29Å; T275-L279 WeakPolarHBondContact O-CG 3.47Å; T275-L279 PolarHBondContact O-N 3.39Å; T275-L444 HydrophobicContact CG2-CD2 4.2Å
276	E	81.9	Confident	83.3	Confident	5 Å²	5	54.3 Å²	54.3	2%	0.023	28%	0.284	C	S	.	.	H	α-helix	trans	-56.7	-41.7	176.1	-75.5	-175.7	174.1	0	0	111.9	R134 L137 E272 L279 F280 T445	R134-E276 IonicContact CZ-OE1 3.79Å; R134-E276 IonicContact CZ-OE2 3.11Å; R134-E276 IonicContact NH1-OE1 2.65Å; R134-E276 PolarHBondContact NH1-OE1 3.45Å; R134-E276 IonicContact NH1-OE2 3.34Å; R134-E276 PolarHBondContact NH1-OE2 2.94Å; R134-E276 IonicContact NH2-OE1 3.23Å; L137-E276 HydrophobicContact CD1-CB 3.95Å; L137-E276 HydrophobicContact CD1-CG 4.42Å; E272-E276 HydrophobicContact CG-CG 4.36Å; E272-E276 WeakPolarHBondContact O-CB 3.38Å; E272-E276 WeakPolarHBondContact O-CG 3.49Å; E272-E276 PolarHBondContact O-N 3.32Å; E276-L279 PolarHBondContact O-N 3.19Å; E276-F280 VanDerWaalsContact O-CB 3.27Å; E276-F280 WeakPolarHBondContact O-CB 3.13Å; E276-F280 PolarHBondContact O-N 2.95Å; E276-T445 PolarHBondContact OE1-OG1 3.32Å
277	L	86.7	Confident	83.7	Confident	42 Å²	42	52.7 Å²	52.7	22%	0.22	28%	0.276	C	S	.	.	H	α-helix	trans	-65.4	-40.5	176.4	-175.9	64.1	0	0	0	112.1	I133 S273 K274 T275 F280 F281	I133-L277 HydrophobicContact CD1-CD1 3.76Å; S273-L277 PolarHBondContact O-N 2.75Å; K274-L277 PolarHBondContact O-N 2.9Å; T275-L277 VanDerWaalsContact C-N 3.28Å; T275-L277 PolarHBondContact O-N 3.42Å; L277-F280 WeakPolarHBondContact O-CB 3.38Å; L277-F280 PolarHBondContact O-N 3.47Å; L277-F281 HydrophobicContact CD1-CD2 4.47Å; L277-F281 HydrophobicContact CD1-CE2 3.79Å; L277-F281 HydrophobicContact CD1-CZ 4.22Å; L277-F281 HydrophobicContact CD2-CE2 4.38Å; L277-F281 HydrophobicContact CG-CD2 4.3Å; L277-F281 HydrophobicContact CG-CE2 3.76Å; L277-F281 WeakPolarHBondContact O-CD2 3.36Å; L277-F281 PolarHBondContact O-N 3.07Å
278	A	89	Confident	84.3	Confident	53 Å²	53	51 Å²	51	44%	0.438	27%	0.267	S	S	.	.	H	α-helix	trans	-65.3	-45.3	175.5	0	0	0	0	0	111.7	K274 T275 F280 F281 I282	K274-A278 PolarHBondContact O-N 3.36Å; K274-A278 VanDerWaalsContact O-N 3.08Å; T275-A278 WeakPolarHBondContact O-CB 3.39Å; T275-A278 PolarHBondContact O-N 2.92Å; T275-A278 VanDerWaalsContact O-N 3.07Å; A278-F280 VanDerWaalsContact C-N 3.3Å; A278-F280 PolarHBondContact O-N 2.94Å; A278-F281 PolarHBondContact O-N 3.45Å; A278-I282 WeakPolarHBondContact O-CG1 3.28Å; A278-I282 PolarHBondContact O-N 3.2Å; A278-I282 VanDerWaalsContact O-N 3.14Å
279	L	90.2	Very high	85.4	Confident	26 Å²	26	50.6 Å²	50.6	14%	0.136	26%	0.263	C	S	.	.	H	α-helix	trans	-61.7	-39.3	175.8	-64.6	-178.1	0	0	0	111.1	T275 E276 F281 I282 I283 A437	T275-L279 HydrophobicContact CG2-CD1 4.01Å; T275-L279 HydrophobicContact CG2-CG 4.17Å; T275-L279 VanDerWaalsContact O-CG 3.29Å; T275-L279 WeakPolarHBondContact O-CG 3.47Å; T275-L279 PolarHBondContact O-N 3.39Å; E276-L279 PolarHBondContact O-N 3.19Å; L279-F281 VanDerWaalsContact C-N 3.34Å; L279-F281 PolarHBondContact O-N 2.89Å; L279-I282 HydrophobicContact CD2-CD1 4.35Å; L279-I282 PolarHBondContact O-N 3.38Å; L279-I282 VanDerWaalsContact O-N 3.16Å; L279-I283 WeakPolarHBondContact O-CD1 3.41Å; L279-I283 WeakPolarHBondContact O-CG1 3.32Å; L279-I283 PolarHBondContact O-N 2.96Å; L279-A437 HydrophobicContact CB-CB 4.16Å; L279-A437 HydrophobicContact CD2-CB 3.77Å; L279-A437 HydrophobicContact CG-CB 4.47Å
280	F	91.1	Very high	86.5	Confident	44 Å²	44	49.7 Å²	49.7	19%	0.193	26%	0.258	C	S	.	.	H	α-helix	trans	-57.6	-43.4	174.6	176.7	-99.2	0	0	0	113.1	I133 I136 L137 E276 L277 A278 I283 T284	I133-F280 HydrophobicContact CG2-CB 4Å; I133-F280 HydrophobicContact CG2-CD2 3.92Å; I133-F280 HydrophobicContact CG2-CG 3.94Å; I136-F280 HydrophobicContact CD1-CE2 4.49Å; I136-F280 HydrophobicContact CG2-CE2 4.19Å; L137-F280 HydrophobicContact CD1-CB 4.22Å; L137-F280 HydrophobicContact CD2-CB 3.97Å; L137-F280 HydrophobicContact CD2-CD2 4.01Å; L137-F280 HydrophobicContact CG-CB 4.42Å; L137-F280 HydrophobicContact CG-CD2 4.25Å; E276-F280 VanDerWaalsContact O-CB 3.27Å; E276-F280 WeakPolarHBondContact O-CB 3.13Å; E276-F280 PolarHBondContact O-N 2.95Å; L277-F280 WeakPolarHBondContact O-CB 3.38Å; L277-F280 PolarHBondContact O-N 3.47Å; A278-F280 VanDerWaalsContact C-N 3.3Å; A278-F280 PolarHBondContact O-N 2.94Å; F280-I283 PolarHBondContact O-N 3.28Å; F280-T284 WeakPolarHBondContact O-CB 3.49Å; F280-T284 PolarHBondContact O-N 2.9Å; F280-T284 PolarHBondContact O-OG1 2.67Å
281	F	93.2	Very high	87.6	Confident	115 Å²	115	49.4 Å²	49.4	50%	0.504	25%	0.248	S	C	.	.	H	α-helix	trans	-66.1	-40.7	175.7	-71.9	-61.2	0	0	0	112	L277 A278 L279 I283 T284 I285	L277-F281 HydrophobicContact CD1-CD2 4.47Å; L277-F281 HydrophobicContact CD1-CE2 3.79Å; L277-F281 HydrophobicContact CD1-CZ 4.22Å; L277-F281 HydrophobicContact CD2-CE2 4.38Å; L277-F281 HydrophobicContact CG-CD2 4.3Å; L277-F281 HydrophobicContact CG-CE2 3.76Å; L277-F281 WeakPolarHBondContact O-CD2 3.36Å; L277-F281 PolarHBondContact O-N 3.07Å; A278-F281 PolarHBondContact O-N 3.45Å; L279-F281 VanDerWaalsContact C-N 3.34Å; L279-F281 PolarHBondContact O-N 2.89Å; F281-I283 VanDerWaalsContact C-N 3.33Å; F281-I283 PolarHBondContact O-N 2.72Å; F281-T284 PolarHBondContact O-N 3.18Å; F281-I285 WeakPolarHBondContact O-CB 3.25Å; F281-I285 VanDerWaalsContact O-CG1 3.22Å; F281-I285 WeakPolarHBondContact O-CG1 3.25Å; F281-I285 PolarHBondContact O-N 2.85Å
282	I	92.9	Very high	88.6	Confident	62 Å²	62	45.3 Å²	45.3	32%	0.318	24%	0.24	S	C	.	.	H	α-helix	trans	-60.4	-45.1	175.8	-65.2	168.3	0	0	0	110.5	A278 L279 I285 S286 A433 A437	A278-I282 WeakPolarHBondContact O-CG1 3.28Å; A278-I282 PolarHBondContact O-N 3.2Å; A278-I282 VanDerWaalsContact O-N 3.14Å; L279-I282 HydrophobicContact CD2-CD1 4.35Å; L279-I282 PolarHBondContact O-N 3.38Å; L279-I282 VanDerWaalsContact O-N 3.16Å; I282-I285 PolarHBondContact O-N 3.14Å; I282-S286 WeakPolarHBondContact O-CB 3.13Å; I282-S286 PolarHBondContact O-N 3.06Å; I282-A433 HydrophobicContact CG2-CB 4.06Å; I282-A437 HydrophobicContact CB-CB 4.19Å; I282-A437 HydrophobicContact CG2-CB 3.9Å
283	I	91.8	Very high	89.3	Confident	4 Å²	4	45.4 Å²	45.4	2%	0.021	24%	0.243	C	C	.	.	H	α-helix	trans	-65.5	-42.8	178.7	-64.2	160.9	0	0	0	110.7	L137 L140 L279 F280 F281 I285 S286 Y287 A437 T438	L137-I283 HydrophobicContact CD2-CD1 3.34Å; L140-I283 HydrophobicContact CD1-CG2 3.9Å; L279-I283 WeakPolarHBondContact O-CD1 3.41Å; L279-I283 WeakPolarHBondContact O-CG1 3.32Å; L279-I283 PolarHBondContact O-N 2.96Å; F280-I283 PolarHBondContact O-N 3.28Å; F281-I283 VanDerWaalsContact C-N 3.33Å; F281-I283 PolarHBondContact O-N 2.72Å; I283-I285 PolarHBondContact O-N 2.99Å; I283-S286 PolarHBondContact O-N 3.03Å; I283-Y287 WeakPolarHBondContact O-CB 3.46Å; I283-Y287 PolarHBondContact O-N 2.8Å; I283-A437 HydrophobicContact CD1-CB 4.07Å; I283-A437 HydrophobicContact CG1-CB 3.67Å; I283-T438 HydrophobicContact CD1-CG2 4.23Å; I283-T438 WeakPolarHBondContact CD1-OG1 3.07Å; I283-T438 WeakPolarHBondContact CG1-OG1 3.12Å
284	T	92.3	Very high	90.2	Very high	53 Å²	53	44.2 Å²	44.2	33%	0.325	24%	0.235	S	C	.	.	H	α-helix	trans	-61.4	-47.6	178	-57.2	0	0	0	0	110.9	F280 F281 Y287 I288	F280-T284 WeakPolarHBondContact O-CB 3.49Å; F280-T284 PolarHBondContact O-N 2.9Å; F280-T284 PolarHBondContact O-OG1 2.67Å; F281-T284 PolarHBondContact O-N 3.18Å; T284-Y287 PolarHBondContact O-N 2.75Å; T284-I288 HydrophobicContact CG2-CD1 4.11Å; T284-I288 VanDerWaalsContact O-CG1 3.28Å; T284-I288 WeakPolarHBondContact O-CG1 3.01Å; T284-I288 PolarHBondContact O-N 3.33Å
285	I	94.7	Very high	90.6	Very high	85 Å²	85	44.5 Å²	44.5	44%	0.436	24%	0.236	S	C	.	.	H	α-helix	trans	-64.4	-44.9	177.7	-64.7	166.3	0	0	0	110.1	F281 I282 I283 Y287 I288 T289 L430	F281-I285 WeakPolarHBondContact O-CB 3.25Å; F281-I285 VanDerWaalsContact O-CG1 3.22Å; F281-I285 WeakPolarHBondContact O-CG1 3.25Å; F281-I285 PolarHBondContact O-N 2.85Å; I282-I285 PolarHBondContact O-N 3.14Å; I283-I285 PolarHBondContact O-N 2.99Å; I285-Y287 VanDerWaalsContact C-N 3.32Å; I285-Y287 PolarHBondContact O-N 3.36Å; I285-I288 PolarHBondContact O-N 2.99Å; I285-I288 VanDerWaalsContact O-N 3.15Å; I285-T289 PolarHBondContact O-N 3.2Å; I285-T289 PolarHBondContact O-OG1 3.14Å; I285-L430 HydrophobicContact CG2-CD1 4.37Å; I285-L430 HydrophobicContact CG2-CD2 3.73Å; I285-L430 HydrophobicContact CG2-CG 4.3Å
286	S	93.6	Very high	91	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-56.7	-45.2	176.3	166.9	0	0	0	0	112	Y145 I282 I283 I288 T289 F290 L430 V431	Y145-S286 WeakPolarHBondContact OH-CB 3.42Å; Y145-S286 PolarHBondContact OH-OG 2.89Å; I282-S286 WeakPolarHBondContact O-CB 3.13Å; I282-S286 PolarHBondContact O-N 3.06Å; I283-S286 PolarHBondContact O-N 3.03Å; S286-I288 PolarHBondContact O-N 3.47Å; S286-T289 WeakPolarHBondContact O-CB 3.5Å; S286-T289 PolarHBondContact O-N 3.45Å; S286-F290 PolarHBondContact O-N 2.95Å; S286-L430 WeakPolarHBondContact CB-O 3.36Å; S286-L430 PolarHBondContact OG-O 3.37Å; S286-V431 WeakPolarHBondContact OG-CA 3.47Å; S286-V431 PolarHBondContact OG-O 3.2Å
287	Y	92.5	Very high	91.3	Very high	13 Å²	13	52.1 Å²	52.1	5%	0.051	28%	0.281	C	S	.	.	H	α-helix	trans	-65.4	-39.7	177.3	-163.7	-91.8	0	0	0	111.7	L144 I283 T284 I285 T289 F290 L291 L373 S376 G377 M421	L144-Y287 HydrophobicContact CD1-CE2 4.25Å; L144-Y287 HydrophobicContact CD2-CD2 3.95Å; L144-Y287 HydrophobicContact CD2-CE2 4.19Å; I283-Y287 WeakPolarHBondContact O-CB 3.46Å; I283-Y287 PolarHBondContact O-N 2.8Å; T284-Y287 PolarHBondContact O-N 2.75Å; I285-Y287 VanDerWaalsContact C-N 3.32Å; I285-Y287 PolarHBondContact O-N 3.36Å; Y287-T289 VanDerWaalsContact C-N 3.34Å; Y287-T289 PolarHBondContact O-N 3.24Å; Y287-F290 HydrophobicContact CD2-CD1 4.37Å; Y287-F290 HydrophobicContact CE2-CD1 4.12Å; Y287-F290 HydrophobicContact CE2-CE1 4.36Å; Y287-F290 WeakPolarHBondContact O-CB 3.27Å; Y287-F290 PolarHBondContact O-N 3.13Å; Y287-L291 HydrophobicContact CD1-CD1 3.92Å; Y287-L291 HydrophobicContact CD1-CD2 4.46Å; Y287-L291 HydrophobicContact CD1-CG 3.95Å; Y287-L291 HydrophobicContact CE1-CD1 3.83Å; Y287-L291 HydrophobicContact CE1-CD2 3.79Å; Y287-L291 HydrophobicContact CE1-CG 3.78Å; Y287-L291 WeakPolarHBondContact O-CG 3.3Å; Y287-L291 PolarHBondContact O-N 3.11Å; Y287-L373 HydrophobicContact CD1-CD2 3.7Å; Y287-L373 HydrophobicContact CE1-CD2 3.4Å; Y287-L373 HydrophobicContact CE2-CD2 4.42Å; Y287-L373 HydrophobicContact CG-CD2 4.33Å; Y287-L373 PolarHBondContact OH-O 2.93Å; Y287-S376 PolarHBondContact OH-OG 2.87Å; Y287-G377 PolarHBondContact OH-N 3.39Å; Y287-M421 HydrophobicContact CE2-CE 4.15Å
288	I	93.4	Very high	91.3	Very high	89 Å²	89	51.1 Å²	51.1	46%	0.456	28%	0.278	S	S	.	.	H	α-helix	trans	-63.2	-40.5	173.1	-67.1	164.9	0	0	0	111	T284 I285 S286 F290 L291 V292	T284-I288 HydrophobicContact CG2-CD1 4.11Å; T284-I288 VanDerWaalsContact O-CG1 3.28Å; T284-I288 WeakPolarHBondContact O-CG1 3.01Å; T284-I288 PolarHBondContact O-N 3.33Å; I285-I288 PolarHBondContact O-N 2.99Å; I285-I288 VanDerWaalsContact O-N 3.15Å; S286-I288 PolarHBondContact O-N 3.47Å; I288-F290 VanDerWaalsContact C-N 3.31Å; I288-F290 PolarHBondContact O-N 3.34Å; I288-L291 PolarHBondContact O-N 3.32Å; I288-V292 HydrophobicContact CG2-CG2 4.27Å; I288-V292 WeakPolarHBondContact O-CG2 3.33Å; I288-V292 PolarHBondContact O-N 3.25Å
289	T	93.6	Very high	91.3	Very high	19 Å²	19	50.8 Å²	50.8	12%	0.117	27%	0.272	C	S	.	.	H	α-helix	trans	-61.9	-38.9	175.2	-60.9	0	0	0	0	112	I285 S286 Y287 G293 A426 F427 L430 V431	I285-T289 PolarHBondContact O-N 3.2Å; I285-T289 PolarHBondContact O-OG1 3.14Å; S286-T289 WeakPolarHBondContact O-CB 3.5Å; S286-T289 PolarHBondContact O-N 3.45Å; Y287-T289 VanDerWaalsContact C-N 3.34Å; Y287-T289 PolarHBondContact O-N 3.24Å; T289-G293 PolarHBondContact O-N 3.45Å; T289-A426 HydrophobicContact CG2-CB 4.13Å; T289-A426 PolarHBondContact O-N 2.88Å; T289-F427 HydrophobicContact CG2-CB 3.97Å; T289-L430 WeakPolarHBondContact OG1-CD2 3.43Å; T289-V431 HydrophobicContact CG2-CG2 4.13Å
290	F	92.3	Very high	91	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60.4	-53	169.6	160.7	-103.3	0	0	0	111.3	S286 Y287 I288 V292 G293 T294 L380 T381 M421 E424	S286-F290 PolarHBondContact O-N 2.95Å; Y287-F290 HydrophobicContact CD2-CD1 4.37Å; Y287-F290 HydrophobicContact CE2-CD1 4.12Å; Y287-F290 HydrophobicContact CE2-CE1 4.36Å; Y287-F290 WeakPolarHBondContact O-CB 3.27Å; Y287-F290 PolarHBondContact O-N 3.13Å; I288-F290 VanDerWaalsContact C-N 3.31Å; I288-F290 PolarHBondContact O-N 3.34Å; F290-V292 PolarHBondContact O-N 2.84Å; F290-G293 PolarHBondContact O-N 3.42Å; F290-G293 VanDerWaalsContact O-N 3.13Å; F290-T294 HydrophobicContact CD2-CG2 4.41Å; F290-T294 HydrophobicContact CE2-CG2 3.94Å; F290-T294 HydrophobicContact CZ-CG2 4.16Å; F290-T294 PolarHBondContact O-N 2.93Å; F290-T294 VanDerWaalsContact O-N 3.17Å; F290-L380 HydrophobicContact CE1-CB 4.36Å; F290-L380 HydrophobicContact CE1-CD1 3.97Å; F290-L380 HydrophobicContact CZ-CB 3.92Å; F290-L380 HydrophobicContact CZ-CD1 4.34Å; F290-T381 HydrophobicContact CE2-CG2 3.92Å; F290-T381 HydrophobicContact CZ-CG2 3.84Å; F290-M421 HydrophobicContact CD1-CE 3.76Å; F290-M421 HydrophobicContact CD2-CB 4.13Å; F290-M421 HydrophobicContact CD2-CE 4.02Å; F290-M421 HydrophobicContact CD2-CG 4.28Å; F290-M421 HydrophobicContact CE1-CE 3.74Å; F290-M421 HydrophobicContact CE2-CB 4.23Å; F290-M421 HydrophobicContact CE2-CE 3.98Å; F290-M421 HydrophobicContact CE2-CG 3.92Å; F290-M421 HydrophobicContact CG-CE 3.91Å; F290-M421 HydrophobicContact CZ-CE 3.86Å; F290-M421 HydrophobicContact CZ-CG 4.4Å; F290-E424 HydrophobicContact CD2-CB 4.25Å; F290-E424 HydrophobicContact CE2-CB 4.15Å; F290-E424 WeakPolarHBondContact CE2-OE2 3.28Å
291	L	91.3	Very high	90.7	Very high	51 Å²	51	57.8 Å²	57.8	27%	0.267	30%	0.303	S	S	.	.	H	α-helix	trans	-55	-50.9	178.7	-68.5	-179.9	0	0	0	111.7	Y287 I288 G293 T294 F295 L380	Y287-L291 HydrophobicContact CD1-CD1 3.92Å; Y287-L291 HydrophobicContact CD1-CD2 4.46Å; Y287-L291 HydrophobicContact CD1-CG 3.95Å; Y287-L291 HydrophobicContact CE1-CD1 3.83Å; Y287-L291 HydrophobicContact CE1-CD2 3.79Å; Y287-L291 HydrophobicContact CE1-CG 3.78Å; Y287-L291 WeakPolarHBondContact O-CG 3.3Å; Y287-L291 PolarHBondContact O-N 3.11Å; I288-L291 PolarHBondContact O-N 3.32Å; L291-G293 VanDerWaalsContact C-N 3.31Å; L291-G293 PolarHBondContact O-N 2.94Å; L291-T294 PolarHBondContact O-N 3.16Å; L291-T294 PolarHBondContact O-OG1 3.37Å; L291-F295 WeakPolarHBondContact O-CD2 3.49Å; L291-L380 HydrophobicContact CD2-CD1 3.14Å
292	V	92.2	Very high	90.3	Very high	72 Å²	72	54.6 Å²	54.6	44%	0.436	29%	0.289	S	S	.	.	H	α-helix	trans	-62.3	-39.9	179.2	173.4	0	0	0	0	111.4	I288 F290 T294 F295 L296 A426	I288-V292 HydrophobicContact CG2-CG2 4.27Å; I288-V292 WeakPolarHBondContact O-CG2 3.33Å; I288-V292 PolarHBondContact O-N 3.25Å; F290-V292 PolarHBondContact O-N 2.84Å; V292-T294 VanDerWaalsContact C-N 3.29Å; V292-T294 PolarHBondContact O-N 3.22Å; V292-F295 PolarHBondContact O-N 3.21Å; V292-L296 HydrophobicContact CG1-CD1 4.45Å; V292-L296 PolarHBondContact O-N 3.38Å; V292-A426 HydrophobicContact CG1-CB 4.36Å
293	G	89.5	Confident	90	Very high	9 Å²	9	55 Å²	55	9%	0.093	29%	0.291	C	S	.	.	H	α-helix	trans	-58.5	-39.2	179.7	0	0	0	0	0	113.2	T289 F290 L291 F295 L296 E424 A426	T289-G293 PolarHBondContact O-N 3.45Å; F290-G293 PolarHBondContact O-N 3.42Å; F290-G293 VanDerWaalsContact O-N 3.13Å; L291-G293 VanDerWaalsContact C-N 3.31Å; L291-G293 PolarHBondContact O-N 2.94Å; G293-F295 PolarHBondContact O-N 2.94Å; G293-F295 VanDerWaalsContact O-N 3.16Å; G293-L296 PolarHBondContact O-N 3.37Å; G293-E424 CarbonylContact C-O 3.58Å; G293-E424 WeakPolarHBondContact CA-O 3.48Å; G293-A426 VanDerWaalsContact CA-N 3.33Å
294	T	90	Very high	89.7	Confident	6 Å²	6	54.8 Å²	54.8	4%	0.037	29%	0.29	C	S	.	.	H	α-helix	trans	-62	-24.5	176.8	65.8	0	0	0	0	113.8	F290 L291 V292 Y310 L380 E424	F290-T294 HydrophobicContact CD2-CG2 4.41Å; F290-T294 HydrophobicContact CE2-CG2 3.94Å; F290-T294 HydrophobicContact CZ-CG2 4.16Å; F290-T294 PolarHBondContact O-N 2.93Å; F290-T294 VanDerWaalsContact O-N 3.17Å; L291-T294 PolarHBondContact O-N 3.16Å; L291-T294 PolarHBondContact O-OG1 3.37Å; V292-T294 VanDerWaalsContact C-N 3.29Å; V292-T294 PolarHBondContact O-N 3.22Å; T294-Y310 WeakPolarHBondContact O-CD2 3.25Å; T294-Y310 WeakPolarHBondContact O-CE2 3.44Å; T294-Y310 PolarHBondContact OG1-OH 3.24Å; T294-L380 HydrophobicContact CG2-CB 4.24Å; T294-E424 HydrophobicContact CG2-CB 4.36Å
295	F	89.7	Confident	89.3	Confident	146 Å²	146	54.7 Å²	54.7	64%	0.64	29%	0.286	S	S	*	.	H	α-helix	trans	-89.1	-12.3	175.8	-66.9	-79.2	0	0	0	114	L291 V292 G293 Y310	L291-F295 WeakPolarHBondContact O-CD2 3.49Å; V292-F295 PolarHBondContact O-N 3.21Å; G293-F295 PolarHBondContact O-N 2.94Å; G293-F295 VanDerWaalsContact O-N 3.16Å; F295-Y310 HydrophobicContact CD1-CD2 4.39Å; F295-Y310 AromaticContact CD1-CE2 3.54Å; F295-Y310 HydrophobicContact CD1-CE2 3.54Å; F295-Y310 AromaticContact CE1-CE2 3.75Å; F295-Y310 HydrophobicContact CE1-CE2 3.75Å; F295-Y310 AromaticContact CE1-CZ 3.94Å; F295-Y310 HydrophobicContact CG-CE2 4.04Å; F295-Y310 HydrophobicContact CZ-CE2 4.41Å; F295-Y310 WeakPolarHBondContact CZ-OH 3.35Å
296	L	90	Very high	88.9	Confident	90 Å²	90	50.7 Å²	50.7	47%	0.471	27%	0.265	S	S	.	.	S	Bend	trans	-82.2	144.8	177.4	-66.4	177	0	0	0	110.4	V292 G293 A426	V292-L296 HydrophobicContact CG1-CD1 4.45Å; V292-L296 PolarHBondContact O-N 3.38Å; G293-L296 PolarHBondContact O-N 3.37Å; L296-A426 HydrophobicContact CD1-CB 3.66Å
297	P	87.4	Confident	88.7	Confident	115 Å²	115	51.2 Å²	51.2	75%	0.747	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-64.7	130	175.5	26.6	-32.8	0	0	0	109.8
298	P	87	Confident	88.5	Confident	22 Å²	22	52.7 Å²	52.7	14%	0.143	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-70.6	145	-174.6	24.6	-30	0	0	0	112	Q302 M303 I307	P298-Q302 HydrophobicContact CB-CB 4.05Å; P298-M303 HydrophobicContact CB-CG 4.1Å; P298-M303 HydrophobicContact CG-CE 3.68Å; P298-M303 HydrophobicContact CG-CG 3.95Å; P298-I307 HydrophobicContact CB-CB 4.33Å; P298-I307 HydrophobicContact CB-CG2 3.83Å; P298-I307 HydrophobicContact CG-CG2 4.37Å
299	S	88.1	Confident	88.2	Confident	46 Å²	46	48.9 Å²	48.9	32%	0.322	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-68.2	164.4	171.6	91.3	0	0	0	0	111	E301 Q302 M303	S299-E301 VanDerWaalsContact CB-OE2 3.29Å; S299-E301 WeakPolarHBondContact CB-OE2 3.17Å; S299-E301 PolarHBondContact O-N 3.38Å; S299-E301 PolarHBondContact OG-N 3.44Å; S299-E301 PolarHBondContact OG-OE2 3.48Å; S299-Q302 PolarHBondContact O-N 3.43Å; S299-Q302 PolarHBondContact OG-N 3.25Å; S299-Q302 VanDerWaalsContact OG-N 3.17Å; S299-M303 WeakPolarHBondContact O-CG 3Å; S299-M303 PolarHBondContact O-N 3.22Å
300	K	84.4	Confident	88	Confident	113 Å²	113	53.1 Å²	53.1	49%	0.491	28%	0.275	S	S	.	.	H	α-helix	trans	-63.4	-34.4	178.5	-67.6	-175.7	176.2	-176.4	0	111.8	M303 A304 L396 Y397	K300-M303 PolarHBondContact O-N 3.4Å; K300-A304 PolarHBondContact O-N 2.86Å; K300-L396 HydrophobicContact CB-CD2 4.35Å; K300-L396 WeakPolarHBondContact O-CD2 3.42Å; K300-Y397 PolarHBondContact NZ-OH 3Å
301	E	84.2	Confident	87.8	Confident	104 Å²	104	60.7 Å²	60.7	49%	0.486	30%	0.304	S	S	.	.	H	α-helix	trans	-67.4	-44.1	175.5	-55.8	72.3	-155.2	0	0	110.7	S299 M303 A304 Q305	S299-E301 VanDerWaalsContact CB-OE2 3.29Å; S299-E301 WeakPolarHBondContact CB-OE2 3.17Å; S299-E301 PolarHBondContact O-N 3.38Å; S299-E301 PolarHBondContact OG-N 3.44Å; S299-E301 PolarHBondContact OG-OE2 3.48Å; E301-M303 VanDerWaalsContact C-N 3.34Å; E301-M303 PolarHBondContact O-N 3.5Å; E301-A304 PolarHBondContact O-N 3.4Å; E301-Q305 WeakPolarHBondContact O-CG 3.25Å; E301-Q305 PolarHBondContact O-N 2.94Å; E301-Q305 VanDerWaalsContact O-N 3.15Å
302	Q	86	Confident	87.8	Confident	47 Å²	47	67.4 Å²	67.4	22%	0.22	33%	0.326	C	S	.	.	H	α-helix	trans	-61.8	-41.2	173.9	-73.3	177.3	-44.3	0	0	111.7	P298 S299 Q305 G306 I307 L423	P298-Q302 HydrophobicContact CB-CB 4.05Å; S299-Q302 PolarHBondContact O-N 3.43Å; S299-Q302 PolarHBondContact OG-N 3.25Å; S299-Q302 VanDerWaalsContact OG-N 3.17Å; Q302-Q305 CarbonylContact O-C 3.6Å; Q302-Q305 PolarHBondContact O-N 3.38Å; Q302-G306 PolarHBondContact O-N 2.63Å; Q302-G306 VanDerWaalsContact O-N 3.16Å; Q302-I307 HydrophobicContact CB-CB 4.17Å; Q302-I307 HydrophobicContact CB-CD1 3.97Å; Q302-I307 HydrophobicContact CG-CD1 4.13Å; Q302-I307 WeakPolarHBondContact O-CB 3.37Å; Q302-I307 PolarHBondContact O-N 2.84Å; Q302-L423 PolarHBondContact NE2-O 3Å
303	M	85.6	Confident	87.6	Confident	71 Å²	71	67 Å²	67	35%	0.35	32%	0.324	S	S	.	.	H	α-helix	trans	-63.1	-40.9	175	-71.9	-176.1	-177.9	0	0	112.5	P298 S299 K300 E301 Q305 G306 I307 L396	P298-M303 HydrophobicContact CB-CG 4.1Å; P298-M303 HydrophobicContact CG-CE 3.68Å; P298-M303 HydrophobicContact CG-CG 3.95Å; S299-M303 WeakPolarHBondContact O-CG 3Å; S299-M303 PolarHBondContact O-N 3.22Å; K300-M303 PolarHBondContact O-N 3.4Å; E301-M303 VanDerWaalsContact C-N 3.34Å; E301-M303 PolarHBondContact O-N 3.5Å; M303-Q305 PolarHBondContact O-N 2.81Å; M303-G306 PolarHBondContact O-N 2.86Å; M303-I307 VanDerWaalsContact CA-O 3.28Å; M303-I307 WeakPolarHBondContact CA-O 3.49Å; M303-I307 WeakPolarHBondContact CG-O 3.38Å; M303-L396 HydrophobicContact CB-CD1 3.97Å; M303-L396 HydrophobicContact CB-CD2 3.93Å
304	A	85.7	Confident	87.5	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-63.2	-32.9	176.9	0	0	0	0	0	112.2	K300 E301 G306 G391 L393 L396	K300-A304 PolarHBondContact O-N 2.86Å; E301-A304 PolarHBondContact O-N 3.4Å; A304-G306 VanDerWaalsContact C-N 3.31Å; A304-G391 WeakPolarHBondContact O-CA 3.4Å; A304-G391 PolarHBondContact O-N 2.95Å; A304-L393 HydrophobicContact CB-CD1 4.46Å; A304-L393 HydrophobicContact CB-CG 4.37Å; A304-L396 HydrophobicContact CB-CB 4.34Å; A304-L396 HydrophobicContact CB-CD2 4.19Å
305	Q	84.7	Confident	87.6	Confident	51 Å²	51	68.5 Å²	68.5	24%	0.238	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-1.9	175.5	-65.3	176.6	-6.7	0	0	113.9	E301 Q302 M303 A389 H412 G413 L423	E301-Q305 WeakPolarHBondContact O-CG 3.25Å; E301-Q305 PolarHBondContact O-N 2.94Å; E301-Q305 VanDerWaalsContact O-N 3.15Å; Q302-Q305 CarbonylContact O-C 3.6Å; Q302-Q305 PolarHBondContact O-N 3.38Å; M303-Q305 PolarHBondContact O-N 2.81Å; Q305-A389 VanDerWaalsContact C-CB 3.49Å; Q305-A389 WeakPolarHBondContact O-CB 3.32Å; Q305-H412 HydrophobicContact CB-CB 4.24Å; Q305-H412 WeakPolarHBondContact O-CB 3.44Å; Q305-G413 PolarHBondContact O-N 3.11Å; Q305-L423 HydrophobicContact CB-CD1 4.3Å
306	G	86.1	Confident	87.6	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	111.8	2.2	169.7	0	0	0	0	0	116.3	Q302 M303 A304 T308 C385 I386	Q302-G306 PolarHBondContact O-N 2.63Å; Q302-G306 VanDerWaalsContact O-N 3.16Å; M303-G306 PolarHBondContact O-N 2.86Å; A304-G306 VanDerWaalsContact C-N 3.31Å; G306-T308 PolarHBondContact O-N 2.97Å; G306-C385 WeakPolarHBondContact O-CA 3.38Å; G306-I386 PolarHBondContact O-N 2.89Å
307	I	89.6	Confident	87.5	Confident	11 Å²	11	65.9 Å²	65.9	6%	0.056	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-82.7	113.8	178	-58.2	170.2	0	0	0	109.6	P298 Q302 M303 T384 L423 E424	P298-I307 HydrophobicContact CB-CB 4.33Å; P298-I307 HydrophobicContact CB-CG2 3.83Å; P298-I307 HydrophobicContact CG-CG2 4.37Å; Q302-I307 HydrophobicContact CB-CB 4.17Å; Q302-I307 HydrophobicContact CB-CD1 3.97Å; Q302-I307 HydrophobicContact CG-CD1 4.13Å; Q302-I307 WeakPolarHBondContact O-CB 3.37Å; Q302-I307 PolarHBondContact O-N 2.84Å; M303-I307 VanDerWaalsContact CA-O 3.28Å; M303-I307 WeakPolarHBondContact CA-O 3.49Å; M303-I307 WeakPolarHBondContact CG-O 3.38Å; I307-T384 CarbonylContact C-O 3.14Å; I307-T384 WeakPolarHBondContact CA-O 3.34Å; I307-L423 HydrophobicContact CD1-CB 3.59Å; I307-L423 VanDerWaalsContact CD1-O 3.22Å; I307-L423 WeakPolarHBondContact CD1-O 3.47Å; I307-E424 HydrophobicContact CD1-CB 4.45Å; I307-E424 HydrophobicContact CD1-CG 3.78Å; I307-E424 HydrophobicContact CG1-CG 3.96Å; I307-E424 HydrophobicContact CG2-CG 4.45Å
308	T	87.7	Confident	87.8	Confident	45 Å²	45	60.5 Å²	60.5	28%	0.276	29%	0.286	S	S	.	.			trans	-100.4	-10.8	-178.2	56.1	0	0	0	0	113.1	G306 T314 T384 I386	G306-T308 PolarHBondContact O-N 2.97Å; T308-T314 PolarHBondContact OG1-OG1 2.64Å; T308-T384 PolarHBondContact N-O 3.43Å; T308-T384 PolarHBondContact OG1-O 3.23Å; T308-I386 HydrophobicContact CG2-CG2 3.79Å
309	G	86.6	Confident	88	Confident	8 Å²	8	62.4 Å²	62.4	8%	0.082	29%	0.294	C	S	.	.			trans	70.5	-169.9	-165.8	0	0	0	0	0	111.2	R311 T384	G309-R311 PolarHBondContact O-N 3.42Å; G309-T384 PolarHBondContact N-O 2.98Å
310	Y	89.3	Confident	88.2	Confident	108 Å²	108	66.3 Å²	66.3	42%	0.424	31%	0.31	S	S	.	.	S	Bend	trans	-69.4	94.2	-178.9	-68.3	-75.1	0	0	0	111.9	T294 F295 L380 A383 T384	T294-Y310 WeakPolarHBondContact O-CD2 3.25Å; T294-Y310 WeakPolarHBondContact O-CE2 3.44Å; T294-Y310 PolarHBondContact OG1-OH 3.24Å; F295-Y310 HydrophobicContact CD1-CD2 4.39Å; F295-Y310 AromaticContact CD1-CE2 3.54Å; F295-Y310 HydrophobicContact CD1-CE2 3.54Å; F295-Y310 AromaticContact CE1-CE2 3.75Å; F295-Y310 HydrophobicContact CE1-CE2 3.75Å; F295-Y310 AromaticContact CE1-CZ 3.94Å; F295-Y310 HydrophobicContact CG-CE2 4.04Å; F295-Y310 HydrophobicContact CZ-CE2 4.41Å; F295-Y310 WeakPolarHBondContact CZ-OH 3.35Å; Y310-L380 HydrophobicContact CE1-CD2 4.21Å; Y310-L380 WeakPolarHBondContact OH-CD2 3.29Å; Y310-A383 HydrophobicContact CD1-CB 4.31Å; Y310-A383 HydrophobicContact CE1-CB 4.4Å; Y310-T384 HydrophobicContact CD1-CG2 3.96Å; Y310-T384 HydrophobicContact CD2-CG2 4.43Å; Y310-T384 HydrophobicContact CE1-CG2 3.94Å; Y310-T384 HydrophobicContact CE2-CG2 4.4Å; Y310-T384 HydrophobicContact CG-CG2 4.22Å
311	R	89	Confident	88.4	Confident	159 Å²	159	63.3 Å²	63.3	60%	0.6	30%	0.302	S	S	*	.			trans	-122.9	129.2	176.4	-160	173.6	-179.7	142.9	-0.1	110.6	G309 T313 T314 F315	G309-R311 PolarHBondContact O-N 3.42Å; R311-T313 WeakPolarHBondContact CD-OG1 3.27Å; R311-T313 WeakPolarHBondContact CG-OG1 3.36Å; R311-T313 PolarHBondContact NE-OG1 3.29Å; R311-T313 PolarHBondContact O-N 3.35Å; R311-T314 PolarHBondContact O-N 3.28Å; R311-F315 PolarHBondContact O-N 3.37Å
312	W	90.2	Very high	88.5	Confident	192 Å²	192	62 Å²	62	73%	0.727	30%	0.299	S	S	*	.	H	α-helix	trans	-57.9	-34.7	-179.7	-179.3	-104.9	0	0	0	113	F315 S316	W312-F315 HydrophobicContact CD2-CD1 4.48Å; W312-F315 AromaticContact CE3-CD1 3.75Å; W312-F315 HydrophobicContact CE3-CD1 3.75Å; W312-F315 HydrophobicContact CE3-CE1 4.31Å; W312-F315 HydrophobicContact CH2-CD1 4.03Å; W312-F315 AromaticContact CH2-CE1 3.9Å; W312-F315 HydrophobicContact CH2-CE1 3.9Å; W312-F315 AromaticContact CZ3-CD1 3.49Å; W312-F315 HydrophobicContact CZ3-CD1 3.49Å; W312-F315 VanDerWaalsContact CZ3-CD1 3.49Å; W312-F315 AromaticContact CZ3-CE1 3.58Å; W312-F315 HydrophobicContact CZ3-CE1 3.58Å; W312-F315 PolarHBondContact O-N 3.02Å; W312-S316 VanDerWaalsContact O-CB 3.31Å; W312-S316 WeakPolarHBondContact O-CB 3.41Å; W312-S316 PolarHBondContact O-N 2.77Å; W312-S316 PolarHBondContact O-OG 2.88Å
313	T	88	Confident	88.4	Confident	64 Å²	64	64.6 Å²	64.6	39%	0.393	31%	0.306	S	S	.	.	H	α-helix	trans	-62.8	-51.2	178	53.8	0	0	0	0	111.3	R311 F315 S316 E317	R311-T313 WeakPolarHBondContact CD-OG1 3.27Å; R311-T313 WeakPolarHBondContact CG-OG1 3.36Å; R311-T313 PolarHBondContact NE-OG1 3.29Å; R311-T313 PolarHBondContact O-N 3.35Å; T313-F315 PolarHBondContact O-N 3.06Å; T313-S316 PolarHBondContact O-N 3.26Å; T313-S316 PolarHBondContact O-OG 2.99Å; T313-E317 WeakPolarHBondContact O-CG 3.47Å; T313-E317 PolarHBondContact O-N 3.4Å
314	T	88.2	Confident	88	Confident	5 Å²	5	64.6 Å²	64.6	3%	0.031	31%	0.313	C	S	.	.	H	α-helix	trans	-58.1	-48	176.6	-56.8	0	0	0	0	111	T308 R311 S316 E317 N318 C385 I386	T308-T314 PolarHBondContact OG1-OG1 2.64Å; R311-T314 PolarHBondContact O-N 3.28Å; T314-S316 PolarHBondContact O-N 3.42Å; T314-E317 PolarHBondContact O-N 3.32Å; T314-N318 WeakPolarHBondContact O-CB 3.36Å; T314-N318 PolarHBondContact O-N 2.89Å; T314-N318 VanDerWaalsContact O-N 3.08Å; T314-N318 PolarHBondContact O-ND2 3.5Å; T314-C385 WeakPolarHBondContact CG2-O 3.19Å; T314-I386 HydrophobicContact CG2-CG2 4Å
315	F	91.2	Very high	87.7	Confident	42 Å²	42	68.4 Å²	68.4	18%	0.184	35%	0.353	C	S	.	.	H	α-helix	trans	-55.8	-52.6	175.8	175.2	-100.5	0	0	0	111.7	I157 R311 W312 T313 E317 N318 M319 A383	I157-F315 HydrophobicContact CD1-CD2 3.64Å; I157-F315 HydrophobicContact CD1-CE2 3.75Å; R311-F315 PolarHBondContact O-N 3.37Å; W312-F315 HydrophobicContact CD2-CD1 4.48Å; W312-F315 AromaticContact CE3-CD1 3.75Å; W312-F315 HydrophobicContact CE3-CD1 3.75Å; W312-F315 HydrophobicContact CE3-CE1 4.31Å; W312-F315 HydrophobicContact CH2-CD1 4.03Å; W312-F315 AromaticContact CH2-CE1 3.9Å; W312-F315 HydrophobicContact CH2-CE1 3.9Å; W312-F315 AromaticContact CZ3-CD1 3.49Å; W312-F315 HydrophobicContact CZ3-CD1 3.49Å; W312-F315 VanDerWaalsContact CZ3-CD1 3.49Å; W312-F315 AromaticContact CZ3-CE1 3.58Å; W312-F315 HydrophobicContact CZ3-CE1 3.58Å; W312-F315 PolarHBondContact O-N 3.02Å; T313-F315 PolarHBondContact O-N 3.06Å; F315-E317 PolarHBondContact O-N 3.33Å; F315-N318 PolarHBondContact O-N 3.09Å; F315-M319 HydrophobicContact CD1-CG 4.34Å; F315-M319 HydrophobicContact CD2-SD 4.43Å; F315-M319 HydrophobicContact CE1-CG 4.03Å; F315-M319 HydrophobicContact CE1-SD 3.81Å; F315-M319 HydrophobicContact CE2-SD 3.72Å; F315-M319 HydrophobicContact CZ-CE 4.26Å; F315-M319 HydrophobicContact CZ-CG 4.2Å; F315-M319 HydrophobicContact CZ-SD 3.37Å; F315-M319 WeakPolarHBondContact CZ-SD 3.5Å; F315-M319 WeakPolarHBondContact O-CG 3.45Å; F315-M319 PolarHBondContact O-N 3.25Å; F315-M319 VanDerWaalsContact O-N 3.13Å; F315-A383 HydrophobicContact CD2-CB 4.07Å
316	S	91.5	Very high	87.5	Confident	55 Å²	55	68.8 Å²	68.8	39%	0.385	35%	0.354	S	S	.	.	H	α-helix	trans	-63.5	-36.6	-175.8	68.5	0	0	0	0	113.7	W312 T313 T314 M319	W312-S316 VanDerWaalsContact O-CB 3.31Å; W312-S316 WeakPolarHBondContact O-CB 3.41Å; W312-S316 PolarHBondContact O-N 2.77Å; W312-S316 PolarHBondContact O-OG 2.88Å; T313-S316 PolarHBondContact O-N 3.26Å; T313-S316 PolarHBondContact O-OG 2.99Å; T314-S316 PolarHBondContact O-N 3.42Å; S316-M319 PolarHBondContact O-N 3.26Å
317	E	88	Confident	87.6	Confident	125 Å²	125	72.2 Å²	72.2	58%	0.584	38%	0.375	S	S	*	.	H	α-helix	trans	-72.2	-33.3	177.7	-72.4	173.2	-172.1	0	0	112	T313 T314 F315 M319 R387	T313-E317 WeakPolarHBondContact O-CG 3.47Å; T313-E317 PolarHBondContact O-N 3.4Å; T314-E317 PolarHBondContact O-N 3.32Å; F315-E317 PolarHBondContact O-N 3.33Å; E317-M319 VanDerWaalsContact C-N 3.34Å; E317-R387 PolarHBondContact O-NH1 3Å
318	N	92.1	Very high	87.5	Confident	3 Å²	3	74.6 Å²	74.6	2%	0.016	39%	0.388	C	S	.	.	H	α-helix	trans	-83.8	-4.3	178.5	-71.2	-19.2	0	0	0	114.1	G156 I157 T314 F315 G382 C385 R387	G156-N318 CarbonylContact C-O 3.28Å; G156-N318 WeakPolarHBondContact CA-O 3.47Å; I157-N318 HydrophobicContact CD1-CB 4.44Å; I157-N318 PolarHBondContact N-O 2.93Å; T314-N318 WeakPolarHBondContact O-CB 3.36Å; T314-N318 PolarHBondContact O-N 2.89Å; T314-N318 VanDerWaalsContact O-N 3.08Å; T314-N318 PolarHBondContact O-ND2 3.5Å; F315-N318 PolarHBondContact O-N 3.09Å; N318-G382 WeakPolarHBondContact CB-O 3.38Å; N318-G382 PolarHBondContact ND2-O 2.89Å; N318-C385 PolarHBondContact ND2-O 3.19Å; N318-R387 VanDerWaalsContact OD1-CG 3.32Å; N318-R387 WeakPolarHBondContact OD1-CG 3.29Å
319	M	92.3	Very high	87.3	Confident	62 Å²	62	77.5 Å²	77.5	31%	0.305	40%	0.397	S	S	.	.	S	Bend	trans	-64.9	-44.1	-179.6	-80.5	-59.8	-75.3	0	0	113.1	I157 A158 F315 S316 E317	I157-M319 HydrophobicContact CB-SD 4.1Å; I157-M319 HydrophobicContact CD1-SD 4.24Å; I157-M319 HydrophobicContact CG2-SD 4.43Å; A158-M319 HydrophobicContact CB-CE 4.39Å; A158-M319 WeakPolarHBondContact CB-O 3.47Å; A158-M319 PolarHBondContact N-O 2.94Å; F315-M319 HydrophobicContact CD1-CG 4.34Å; F315-M319 HydrophobicContact CD2-SD 4.43Å; F315-M319 HydrophobicContact CE1-CG 4.03Å; F315-M319 HydrophobicContact CE1-SD 3.81Å; F315-M319 HydrophobicContact CE2-SD 3.72Å; F315-M319 HydrophobicContact CZ-CE 4.26Å; F315-M319 HydrophobicContact CZ-CG 4.2Å; F315-M319 HydrophobicContact CZ-SD 3.37Å; F315-M319 WeakPolarHBondContact CZ-SD 3.5Å; F315-M319 WeakPolarHBondContact O-CG 3.45Å; F315-M319 PolarHBondContact O-N 3.25Å; F315-M319 VanDerWaalsContact O-N 3.13Å; S316-M319 PolarHBondContact O-N 3.26Å; E317-M319 VanDerWaalsContact C-N 3.34Å
320	L	91.5	Very high	87.1	Confident	127 Å²	127	78.7 Å²	78.7	67%	0.665	40%	0.404	S	S	*	.	S	Bend	trans	-97.9	152.1	-177.3	-72.1	172.3	0	0	0	111.1	R387	L320-R387 PolarHBondContact O-NH1 3.5Å; L320-R387 PolarHBondContact O-NH2 3.16Å
321	P	89	Confident	87	Confident	50 Å²	50	73.6 Å²	73.6	33%	0.325	38%	0.384	S	S	.	.			trans	-66.1	149.7	-176.8	26.2	-35.1	0	0	0	113.8	H154 A155 L159 W323	H154-P321 CarbonylContact O-C 3.14Å; H154-P321 VanDerWaalsContact O-CA 3.29Å; H154-P321 WeakPolarHBondContact O-CA 3.31Å; H154-P321 VanDerWaalsContact O-CB 3.31Å; H154-P321 WeakPolarHBondContact O-CB 3.43Å; A155-P321 WeakPolarHBondContact O-CA 3.16Å; A155-P321 WeakPolarHBondContact O-CB 3.12Å; L159-P321 HydrophobicContact CD2-CB 4.38Å; L159-P321 HydrophobicContact CD2-CG 4.42Å; P321-W323 HydrophobicContact CB-CD2 4.45Å; P321-W323 HydrophobicContact CB-CH2 4.44Å; P321-W323 HydrophobicContact CB-CZ2 3.68Å; P321-W323 HydrophobicContact CG-CZ2 4.25Å
322	L	86	Confident	87	Confident	78 Å²	78	66.6 Å²	66.6	41%	0.408	36%	0.358	S	S	.	.			trans	-127.2	107.1	166.3	-172.8	72.5	0	0	0	109.1	H154 L415	H154-L322 PolarHBondContact O-N 2.93Å; L322-L415 HydrophobicContact CD2-CD1 4.09Å
323	W	84.4	Confident	86.6	Confident	101 Å²	101	57.8 Å²	57.8	38%	0.383	33%	0.327	S	S	.	.			trans	-87.1	118.5	-176.1	-57.2	112.5	0	0	0	111.2	H154 L159 P321 E326 I328 V331	H154-W323 HydrophobicContact CB-CZ3 4.37Å; L159-W323 HydrophobicContact CD2-CH2 3.79Å; L159-W323 HydrophobicContact CD2-CZ2 3.55Å; P321-W323 HydrophobicContact CB-CD2 4.45Å; P321-W323 HydrophobicContact CB-CH2 4.44Å; P321-W323 HydrophobicContact CB-CZ2 3.68Å; P321-W323 HydrophobicContact CG-CZ2 4.25Å; W323-E326 HydrophobicContact CE3-CB 4.49Å; W323-E326 VanDerWaalsContact CE3-O 3.23Å; W323-I328 VanDerWaalsContact CH2-CA 3.47Å; W323-I328 HydrophobicContact CH2-CB 3.88Å; W323-I328 HydrophobicContact CZ2-CB 4.19Å; W323-V331 HydrophobicContact CZ3-CG2 3.75Å
324	S	77.6	Confident	86.4	Confident	70 Å²	70	55.6 Å²	55.6	49%	0.49	31%	0.312	S	S	.	.	S	Bend	trans	-107.9	60.4	173.8	71.1	0	0	0	0	111.7	H154 E326	H154-S324 PolarHBondContact NE2-OG 3.34Å; S324-E326 PolarHBondContact O-N 2.81Å
325	G	77.7	Confident	86.4	Confident	81 Å²	81	55.5 Å²	55.5	84%	0.835	31%	0.311	S	S	*	.	S	Bend	trans	85.8	-12.5	-175.8	0	0	0	0	0	114.7
326	E	82.5	Confident	86.2	Confident	59 Å²	59	53.5 Å²	53.5	28%	0.276	30%	0.303	S	S	.	.			trans	-87.7	160.9	175.4	-63.4	-66.7	169	0	0	112.4	W150 W323 S324 S330	W150-E326 HydrophobicContact CH2-CG 4.29Å; W150-E326 HydrophobicContact CZ2-CG 3.73Å; W323-E326 HydrophobicContact CE3-CB 4.49Å; W323-E326 VanDerWaalsContact CE3-O 3.23Å; S324-E326 PolarHBondContact O-N 2.81Å; E326-S330 WeakPolarHBondContact OE2-CB 3.36Å; E326-S330 PolarHBondContact OE2-OG 3.43Å
327	T	86.6	Confident	85.9	Confident	71 Å²	71	51 Å²	51	44%	0.436	29%	0.285	S	S	.	.			trans	-121.8	165.6	177.4	65.9	0	0	0	0	110.5	F329 S330 V331	T327-F329 PolarHBondContact O-N 3.18Å; T327-F329 VanDerWaalsContact O-N 3.11Å; T327-F329 PolarHBondContact OG1-N 2.88Å; T327-S330 PolarHBondContact N-OG 3.26Å; T327-S330 PolarHBondContact O-N 3.1Å; T327-S330 PolarHBondContact O-OG 3.42Å; T327-S330 PolarHBondContact OG1-N 3.34Å; T327-S330 PolarHBondContact OG1-OG 3.42Å; T327-V331 WeakPolarHBondContact O-CG2 3.47Å; T327-V331 PolarHBondContact O-N 3.26Å
328	I	87.6	Confident	85.7	Confident	62 Å²	62	45 Å²	45	32%	0.318	26%	0.257	S	S	.	.	H	α-helix	trans	-52.9	-34.3	171.6	-171.1	178.1	0	0	0	112.4	L159 I163 W323 F332	L159-I328 HydrophobicContact CD1-CD1 3.76Å; L159-I328 HydrophobicContact CD2-CB 4.47Å; L159-I328 HydrophobicContact CD2-CD1 3.94Å; L159-I328 HydrophobicContact CD2-CG1 4.03Å; L159-I328 HydrophobicContact CG-CD1 4.13Å; L159-I328 HydrophobicContact CG-CG1 4.42Å; I163-I328 HydrophobicContact CD1-CG1 4.3Å; W323-I328 VanDerWaalsContact CH2-CA 3.47Å; W323-I328 HydrophobicContact CH2-CB 3.88Å; W323-I328 HydrophobicContact CZ2-CB 4.19Å; I328-F332 VanDerWaalsContact O-CB 3.25Å; I328-F332 WeakPolarHBondContact O-CB 3.39Å; I328-F332 PolarHBondContact O-N 3.01Å
329	F	84.5	Confident	85.5	Confident	106 Å²	106	45.2 Å²	45.2	47%	0.465	26%	0.258	S	S	.	.	H	α-helix	trans	-76.7	-36.5	-177.8	-55.5	-56.9	0	0	0	112.7	T327 F332 G333 I557 L558	T327-F329 PolarHBondContact O-N 3.18Å; T327-F329 VanDerWaalsContact O-N 3.11Å; T327-F329 PolarHBondContact OG1-N 2.88Å; F329-F332 PolarHBondContact O-N 2.99Å; F329-G333 PolarHBondContact O-N 3.32Å; F329-I557 HydrophobicContact CB-CG2 4.23Å; F329-I557 HydrophobicContact CD1-CG2 3.08Å; F329-I557 HydrophobicContact CE1-CG2 3.39Å; F329-I557 HydrophobicContact CG-CG2 3.71Å; F329-I557 HydrophobicContact CZ-CG2 4.24Å; F329-L558 WeakPolarHBondContact O-CD2 3.42Å
330	S	82.6	Confident	85.2	Confident	33 Å²	33	42.3 Å²	42.3	23%	0.231	24%	0.244	C	C	.	.	H	α-helix	trans	-69	-41.6	174.2	59.5	0	0	0	0	110.9	E326 T327 F332 G333 I334	E326-S330 WeakPolarHBondContact OE2-CB 3.36Å; E326-S330 PolarHBondContact OE2-OG 3.43Å; T327-S330 PolarHBondContact N-OG 3.26Å; T327-S330 PolarHBondContact O-N 3.1Å; T327-S330 PolarHBondContact O-OG 3.42Å; T327-S330 PolarHBondContact OG1-N 3.34Å; T327-S330 PolarHBondContact OG1-OG 3.42Å; S330-F332 PolarHBondContact O-N 3.15Å; S330-G333 PolarHBondContact O-N 2.97Å; S330-G333 VanDerWaalsContact O-N 3.14Å; S330-I334 WeakPolarHBondContact O-CG1 3.38Å; S330-I334 PolarHBondContact O-N 2.95Å
331	V	86.9	Confident	84.9	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.4	-45.1	173.9	179.8	0	0	0	0	111.4	W150 V151 H154 A155 I163 W323 T327 G333 I334 Y335	W150-V331 HydrophobicContact CH2-CB 4.28Å; W150-V331 HydrophobicContact CH2-CG2 3.63Å; W150-V331 HydrophobicContact CZ3-CB 4.01Å; W150-V331 HydrophobicContact CZ3-CG1 3.91Å; W150-V331 HydrophobicContact CZ3-CG2 3.7Å; V151-V331 HydrophobicContact CB-CG1 4.27Å; V151-V331 HydrophobicContact CG1-CG1 3.97Å; V151-V331 HydrophobicContact CG2-CG1 3.97Å; H154-V331 HydrophobicContact CB-CG2 3.88Å; A155-V331 HydrophobicContact CB-CG1 4.31Å; I163-V331 HydrophobicContact CD1-CB 4.32Å; I163-V331 HydrophobicContact CD1-CG1 3.85Å; W323-V331 HydrophobicContact CZ3-CG2 3.75Å; T327-V331 WeakPolarHBondContact O-CG2 3.47Å; T327-V331 PolarHBondContact O-N 3.26Å; V331-G333 VanDerWaalsContact C-N 3.32Å; V331-G333 PolarHBondContact O-N 3.44Å; V331-I334 PolarHBondContact O-N 3.15Å; V331-Y335 WeakPolarHBondContact O-CB 3.22Å; V331-Y335 PolarHBondContact O-N 3Å
332	F	87.7	Confident	85	Confident	13 Å²	13	34 Å²	34	6%	0.057	20%	0.197	C	C	.	.	H	α-helix	trans	-59.8	-42.2	173.7	175.2	-122.8	0	0	0	111.7	I163 F166 S167 I170 I328 F329 S330 I334 Y335 L336 A554 L558	I163-F332 HydrophobicContact CG2-CD2 4.13Å; F166-F332 AromaticContact CD1-CE2 3.78Å; F166-F332 HydrophobicContact CD1-CE2 3.78Å; F166-F332 AromaticContact CD1-CZ 3.81Å; F166-F332 HydrophobicContact CD1-CZ 3.81Å; F166-F332 HydrophobicContact CE1-CE1 4.21Å; F166-F332 HydrophobicContact CE1-CE2 4.17Å; F166-F332 AromaticContact CE1-CZ 3.71Å; F166-F332 HydrophobicContact CE1-CZ 3.71Å; S167-F332 WeakPolarHBondContact OG-CE2 3.43Å; I170-F332 HydrophobicContact CD1-CZ 4.18Å; I328-F332 VanDerWaalsContact O-CB 3.25Å; I328-F332 WeakPolarHBondContact O-CB 3.39Å; I328-F332 PolarHBondContact O-N 3.01Å; F329-F332 PolarHBondContact O-N 2.99Å; S330-F332 PolarHBondContact O-N 3.15Å; F332-I334 VanDerWaalsContact C-N 3.34Å; F332-I334 PolarHBondContact O-N 3.29Å; F332-Y335 PolarHBondContact O-N 2.92Å; F332-L336 HydrophobicContact CE2-CD1 3.84Å; F332-L336 HydrophobicContact CZ-CD1 3.83Å; F332-L336 HydrophobicContact CZ-CD2 4.46Å; F332-L336 VanDerWaalsContact O-CB 3.3Å; F332-L336 WeakPolarHBondContact O-CB 3.49Å; F332-L336 PolarHBondContact O-N 3.3Å; F332-A554 HydrophobicContact CE1-CB 4.23Å; F332-L558 HydrophobicContact CD1-CD2 3.53Å; F332-L558 HydrophobicContact CD1-CG 4.24Å; F332-L558 HydrophobicContact CE1-CD1 4.49Å; F332-L558 HydrophobicContact CE1-CD2 4.09Å; F332-L558 HydrophobicContact CE1-CG 4.33Å; F332-L558 HydrophobicContact CG-CD2 4.35Å
333	G	83.3	Confident	85	Confident	7 Å²	7	30.4 Å²	30.4	7%	0.072	18%	0.178	C	C	.	.	H	α-helix	trans	-65.8	-31.4	179.4	0	0	0	0	0	115	F329 S330 V331 P337 S507	F329-G333 PolarHBondContact O-N 3.32Å; S330-G333 PolarHBondContact O-N 2.97Å; S330-G333 VanDerWaalsContact O-N 3.14Å; V331-G333 VanDerWaalsContact C-N 3.32Å; V331-G333 PolarHBondContact O-N 3.44Å; G333-P337 WeakPolarHBondContact O-CD 3.44Å; G333-S507 PolarHBondContact O-OG 3.17Å
334	I	82.9	Confident	85.1	Confident	18 Å²	18	25.7 Å²	25.7	9%	0.092	16%	0.161	C	C	.	.	H	α-helix	trans	-80.1	-33	175	-70.7	163.3	0	0	0	111.1	R147 W150 S330 V331 F332 P337	R147-I334 HydrophobicContact CG-CG2 4.24Å; W150-I334 HydrophobicContact CE3-CG2 4.38Å; W150-I334 HydrophobicContact CH2-CD1 3.36Å; W150-I334 HydrophobicContact CZ2-CD1 3.97Å; W150-I334 HydrophobicContact CZ3-CB 4.12Å; W150-I334 HydrophobicContact CZ3-CD1 3.79Å; W150-I334 HydrophobicContact CZ3-CG2 4.07Å; S330-I334 WeakPolarHBondContact O-CG1 3.38Å; S330-I334 PolarHBondContact O-N 2.95Å; V331-I334 PolarHBondContact O-N 3.15Å; F332-I334 VanDerWaalsContact C-N 3.34Å; F332-I334 PolarHBondContact O-N 3.29Å; I334-P337 WeakPolarHBondContact O-CD 3.31Å
335	Y	88	Confident	85.2	Confident	2 Å²	2	22.4 Å²	22.4	1%	0.008	14%	0.138	C	C	.	.	H	α-helix	trans	-74.5	-37.3	175.3	177.9	-97.8	0	0	0	112.7	I163 V164 S167 V331 F332 P337 S338 V339 Y374	I163-Y335 HydrophobicContact CG2-CD1 3.85Å; I163-Y335 HydrophobicContact CG2-CG 4.06Å; V164-Y335 HydrophobicContact CG2-CE1 4.25Å; V164-Y335 HydrophobicContact CG2-CE2 3.92Å; S167-Y335 WeakPolarHBondContact OG-CD1 3.31Å; S167-Y335 WeakPolarHBondContact OG-CE1 3.29Å; V331-Y335 WeakPolarHBondContact O-CB 3.22Å; V331-Y335 PolarHBondContact O-N 3Å; F332-Y335 PolarHBondContact O-N 2.92Å; Y335-P337 VanDerWaalsContact C-CD 3.42Å; Y335-S338 WeakPolarHBondContact O-CB 3.48Å; Y335-S338 PolarHBondContact O-N 3.08Å; Y335-S338 PolarHBondContact O-OG 3.35Å; Y335-V339 HydrophobicContact CE1-CG1 3.74Å; Y335-Y374 AromaticContact CE2-CD1 3.76Å; Y335-Y374 HydrophobicContact CE2-CD1 3.76Å; Y335-Y374 AromaticContact CE2-CE1 3.98Å; Y335-Y374 HydrophobicContact CE2-CE1 3.98Å; Y335-Y374 HydrophobicContact CE2-CG 4.15Å
336	L	87.5	Confident	85.5	Confident	1 Å²	1	18.5 Å²	18.5	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-55.9	-37.8	-170.8	-168.4	72.4	0	0	0	115.1	F332 S338 V339 L511 L558	F332-L336 HydrophobicContact CE2-CD1 3.84Å; F332-L336 HydrophobicContact CZ-CD1 3.83Å; F332-L336 HydrophobicContact CZ-CD2 4.46Å; F332-L336 VanDerWaalsContact O-CB 3.3Å; F332-L336 WeakPolarHBondContact O-CB 3.49Å; F332-L336 PolarHBondContact O-N 3.3Å; L336-S338 PolarHBondContact O-N 3.2Å; L336-V339 HydrophobicContact CD1-CG2 3.7Å; L336-V339 HydrophobicContact CG-CG2 4.41Å; L336-V339 VanDerWaalsContact O-CG2 3.25Å; L336-V339 WeakPolarHBondContact O-CG2 3.35Å; L336-V339 PolarHBondContact O-N 3.09Å; L336-L511 HydrophobicContact CD2-CD1 3.51Å; L336-L511 HydrophobicContact CD2-CD2 3.9Å; L336-L511 HydrophobicContact CD2-CG 3.68Å; L336-L558 HydrophobicContact CD2-CD1 3.6Å
337	P	84.8	Confident	85.4	Confident	1 Å²	1	15.8 Å²	15.8	1%	0.006	9%	0.086	C	C	.	.	H	α-helix	trans	-54.7	-22	173.1	-28.4	36.9	0	0	0	114.4	Y219 M222 G333 I334 Y335 T340 A503 I506 S507	Y219-P337 HydrophobicContact CE2-CB 4.16Å; Y219-P337 WeakPolarHBondContact CE2-O 3.18Å; Y219-P337 PolarHBondContact OH-O 3.29Å; M222-P337 HydrophobicContact CE-CB 3.7Å; M222-P337 HydrophobicContact SD-CB 3.89Å; M222-P337 HydrophobicContact SD-CG 4.28Å; G333-P337 WeakPolarHBondContact O-CD 3.44Å; I334-P337 WeakPolarHBondContact O-CD 3.31Å; Y335-P337 VanDerWaalsContact C-CD 3.42Å; P337-T340 PolarHBondContact O-OG1 3.02Å; P337-A503 HydrophobicContact CG-CB 4.15Å; P337-I506 HydrophobicContact CB-CG2 4.22Å; P337-I506 HydrophobicContact CG-CG2 4.44Å; P337-S507 WeakPolarHBondContact CD-OG 3.29Å; P337-S507 WeakPolarHBondContact CG-OG 3.4Å
338	S	85	Confident	85.1	Confident	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-64.6	-45	173.6	-42.7	0	0	0	0	111.3	I139 T143 Y335 L336 T340 Y374	I139-S338 CarbonylContact C-O 3.58Å; I139-S338 WeakPolarHBondContact CA-O 3.17Å; I139-S338 WeakPolarHBondContact CG2-O 3.37Å; I139-S338 CarbonylContact O-C 3.46Å; I139-S338 WeakPolarHBondContact O-CA 3.35Å; T143-S338 WeakPolarHBondContact CB-OG 3.04Å; T143-S338 WeakPolarHBondContact CG2-OG 3.27Å; T143-S338 PolarHBondContact OG1-OG 3.34Å; Y335-S338 WeakPolarHBondContact O-CB 3.48Å; Y335-S338 PolarHBondContact O-N 3.08Å; Y335-S338 PolarHBondContact O-OG 3.35Å; L336-S338 PolarHBondContact O-N 3.2Å; S338-T340 VanDerWaalsContact C-N 3.29Å; S338-T340 PolarHBondContact O-N 3.09Å; S338-Y374 WeakPolarHBondContact CB-OH 3.35Å
339	V	86.3	Confident	84.8	Confident	8 Å²	8	9.7 Å²	9.7	5%	0.048	5%	0.051	C	C	.	.	H	α-helix	trans	-84.2	-6.3	-172.5	-55.7	0	0	0	0	112.8	T171 Y335 L336 G341	T171-V339 HydrophobicContact CG2-CB 3.67Å; T171-V339 HydrophobicContact CG2-CG2 3.63Å; T171-V339 WeakPolarHBondContact CG2-O 3.31Å; Y335-V339 HydrophobicContact CE1-CG1 3.74Å; L336-V339 HydrophobicContact CD1-CG2 3.7Å; L336-V339 HydrophobicContact CG-CG2 4.41Å; L336-V339 VanDerWaalsContact O-CG2 3.25Å; L336-V339 WeakPolarHBondContact O-CG2 3.35Å; L336-V339 PolarHBondContact O-N 3.09Å; V339-G341 PolarHBondContact O-N 2.92Å
340	T	86.2	Confident	84.5	Confident	1 Å²	1	5.8 Å²	5.8	1%	0.006	4%	0.041	C	C	.	.	G	3₁₀ helix	trans	-69.6	-16.8	-178.4	59.4	0	0	0	0	113.3	P337 S338 I342 Y510	P337-T340 PolarHBondContact O-OG1 3.02Å; S338-T340 VanDerWaalsContact C-N 3.29Å; S338-T340 PolarHBondContact O-N 3.09Å; T340-I342 PolarHBondContact O-N 3.23Å; T340-Y510 VanDerWaalsContact CG2-CB 3.43Å; T340-Y510 HydrophobicContact CG2-CD1 4.28Å; T340-Y510 HydrophobicContact CG2-CD2 3.88Å; T340-Y510 HydrophobicContact CG2-CG 3.63Å
341	G	86.9	Confident	84.3	Confident	0 Å²	0	5 Å²	5	0%	0	3%	0.034	C	C	.	.	G	3₁₀ helix	trans	-66.1	-2.3	-176.6	0	0	0	0	0	116.6	N138 V339 M343 A344	N138-G341 VanDerWaalsContact ND2-CA 3.32Å; N138-G341 WeakPolarHBondContact ND2-CA 3.38Å; V339-G341 PolarHBondContact O-N 2.92Å; G341-M343 PolarHBondContact O-N 3.15Å; G341-M343 VanDerWaalsContact O-N 3.09Å; G341-A344 VanDerWaalsContact O-CB 3.3Å; G341-A344 WeakPolarHBondContact O-CB 3.47Å; G341-A344 PolarHBondContact O-N 3.17Å; G341-A344 VanDerWaalsContact O-N 3.09Å
342	I	90	Very high	84.2	Confident	2 Å²	2	5.1 Å²	5.1	1%	0.01	4%	0.035	C	C	.	.	G	3₁₀ helix	trans	-59	-22.8	179.9	63	167	0	0	0	114.2	I139 T171 T174 T340 T363 I367 F514	I139-I342 HydrophobicContact CD1-CG2 3.86Å; I139-I342 HydrophobicContact CG1-CG2 4.46Å; T171-I342 HydrophobicContact CG2-CD1 4.26Å; T171-I342 HydrophobicContact CG2-CG2 4.28Å; T174-I342 HydrophobicContact CG2-CD1 4.05Å; T340-I342 PolarHBondContact O-N 3.23Å; I342-T363 HydrophobicContact CB-CG2 4Å; I342-T363 WeakPolarHBondContact O-CG2 3.32Å; I342-I367 HydrophobicContact CB-CD1 4.46Å; I342-I367 HydrophobicContact CG2-CD1 3.71Å; I342-I367 HydrophobicContact CG2-CG1 3.55Å; I342-F514 HydrophobicContact CD1-CE1 3.81Å; I342-F514 HydrophobicContact CD1-CE2 4.41Å; I342-F514 HydrophobicContact CD1-CZ 3.71Å; I342-F514 HydrophobicContact CG1-CE1 3.83Å; I342-F514 HydrophobicContact CG1-CZ 3.66Å
343	M	85.4	Confident	83.9	Confident	2 Å²	2	7 Å²	7	1%	0.01	5%	0.052	C	C	.	.	G	3₁₀ helix	trans	-88.5	-6.5	-178.8	-60.7	-163.6	-78.7	0	0	113.7	M178 A192 F212 G341 G345 A346 G347 Y510 F514 I517	M178-M343 HydrophobicContact CE-CB 4.17Å; M178-M343 HydrophobicContact CE-CG 3.64Å; M178-M343 HydrophobicContact CE-SD 4.05Å; A192-M343 HydrophobicContact CB-SD 4.37Å; F212-M343 HydrophobicContact CD2-CE 3.5Å; F212-M343 VanDerWaalsContact CD2-CE 3.5Å; F212-M343 HydrophobicContact CD2-SD 4.17Å; F212-M343 HydrophobicContact CE2-CB 3.82Å; F212-M343 HydrophobicContact CE2-CE 3.34Å; F212-M343 HydrophobicContact CE2-CG 4.42Å; F212-M343 HydrophobicContact CE2-SD 3.84Å; F212-M343 HydrophobicContact CZ-CB 3.94Å; F212-M343 HydrophobicContact CZ-CE 4.48Å; G341-M343 PolarHBondContact O-N 3.15Å; G341-M343 VanDerWaalsContact O-N 3.09Å; M343-G345 VanDerWaalsContact C-N 3.34Å; M343-G345 PolarHBondContact O-N 2.99Å; M343-A346 PolarHBondContact O-N 3.04Å; M343-A346 VanDerWaalsContact O-N 3.08Å; M343-G347 PolarHBondContact O-N 2.93Å; M343-Y510 HydrophobicContact CE-CD1 3.4Å; M343-Y510 HydrophobicContact CE-CE1 3.66Å; M343-F514 HydrophobicContact CE-CD1 3.8Å; M343-F514 HydrophobicContact CE-CE1 3.43Å; M343-F514 VanDerWaalsContact CE-CE1 3.43Å; M343-F514 HydrophobicContact CE-CZ 4.48Å; M343-F514 HydrophobicContact CG-CE1 3.9Å; M343-F514 HydrophobicContact SD-CD1 4.12Å; M343-F514 HydrophobicContact SD-CE1 3.88Å; M343-I517 HydrophobicContact SD-CD1 3.42Å; M343-I517 WeakPolarHBondContact SD-CD1 2.94Å
344	A	86.4	Confident	84	Confident	3 Å²	3	11.4 Å²	11.4	3%	0.025	7%	0.071	C	C	.	.	H	α-helix	trans	-59.4	-43.2	-175.3	0	0	0	0	0	112.8	R134 N138 G341 G347 T445	R134-A344 HydrophobicContact CG-CB 4.17Å; N138-A344 HydrophobicContact CB-CB 3.79Å; G341-A344 VanDerWaalsContact O-CB 3.3Å; G341-A344 WeakPolarHBondContact O-CB 3.47Å; G341-A344 PolarHBondContact O-N 3.17Å; G341-A344 VanDerWaalsContact O-N 3.09Å; A344-G347 PolarHBondContact O-N 3.36Å; A344-T445 HydrophobicContact CB-CG2 3.85Å
345	G	81.6	Confident	84.1	Confident	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-68.7	-33.7	176.1	0	0	0	0	0	113.2	M343 G347 I348	M343-G345 VanDerWaalsContact C-N 3.34Å; M343-G345 PolarHBondContact O-N 2.99Å; G345-G347 VanDerWaalsContact C-N 3.34Å; G345-I348 WeakPolarHBondContact O-CG1 3.36Å
346	A	83.6	Confident	84.2	Confident	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-70.3	-31.4	174.2	0	0	0	0	0	111.9	M178 G191 M195 M343 I348 S349 I359	M178-A346 HydrophobicContact CE-CB 3.6Å; M178-A346 HydrophobicContact SD-CB 3.72Å; G191-A346 WeakPolarHBondContact CA-O 3.36Å; M195-A346 HydrophobicContact CE-CB 4.02Å; M343-A346 PolarHBondContact O-N 3.04Å; M343-A346 VanDerWaalsContact O-N 3.08Å; A346-I348 PolarHBondContact O-N 2.85Å; A346-I348 VanDerWaalsContact O-N 3.15Å; A346-S349 VanDerWaalsContact O-CB 3.27Å; A346-S349 WeakPolarHBondContact O-CB 3.23Å; A346-S349 PolarHBondContact O-N 3.27Å; A346-S349 PolarHBondContact O-OG 3.36Å; A346-I359 HydrophobicContact CB-CD1 4.41Å
347	G	80.8	Confident	84.2	Confident	1 Å²	1	19.5 Å²	19.5	1%	0.01	11%	0.11	C	C	.	.	H	α-helix	trans	-57	-27.1	178.1	0	0	0	0	0	114.3	M343 A344 G345	M343-G347 PolarHBondContact O-N 2.93Å; A344-G347 PolarHBondContact O-N 3.36Å; G345-G347 VanDerWaalsContact C-N 3.34Å
348	I	79.9	Confident	84.5	Confident	5 Å²	5	19.8 Å²	19.8	3%	0.026	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	24.5	176.6	65.7	165.7	0	0	0	113.7	F125 G130 G345 A346 G350 D351 L352	F125-I348 HydrophobicContact CD2-CD1 4.31Å; G130-I348 WeakPolarHBondContact O-CD1 3.38Å; G345-I348 WeakPolarHBondContact O-CG1 3.36Å; A346-I348 PolarHBondContact O-N 2.85Å; A346-I348 VanDerWaalsContact O-N 3.15Å; I348-G350 PolarHBondContact O-N 2.97Å; I348-D351 PolarHBondContact O-N 3.43Å; I348-L352 HydrophobicContact CD1-CD2 4.37Å; I348-L352 HydrophobicContact CG1-CD2 4.41Å
349	S	81.1	Confident	84.8	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-49.1	-33	-178.1	56.9	0	0	0	0	114.9	I187 K188 G191 A346 D351 L352 P355	I187-S349 VanDerWaalsContact CG2-CB 3.5Å; K188-S349 PolarHBondContact O-OG 3.34Å; G191-S349 VanDerWaalsContact CA-OG 3.28Å; G191-S349 WeakPolarHBondContact CA-OG 3.32Å; G191-S349 PolarHBondContact N-OG 2.96Å; G191-S349 VanDerWaalsContact N-OG 3.14Å; A346-S349 VanDerWaalsContact O-CB 3.27Å; A346-S349 WeakPolarHBondContact O-CB 3.23Å; A346-S349 PolarHBondContact O-N 3.27Å; A346-S349 PolarHBondContact O-OG 3.36Å; S349-D351 PolarHBondContact O-N 3.47Å; S349-L352 PolarHBondContact O-N 3.19Å; S349-P355 VanDerWaalsContact O-CG 3.24Å; S349-P355 WeakPolarHBondContact O-CG 3.42Å
350	G	77.2	Confident	85.2	Confident	24 Å²	24	20 Å²	20	25%	0.247	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-67.5	-19.2	178.2	0	0	0	0	0	115.2	I348	I348-G350 PolarHBondContact O-N 2.97Å
351	D	79.8	Confident	85.5	Confident	18 Å²	18	26.1 Å²	26.1	10%	0.096	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-107.7	2.8	-177.4	-70.7	12.4	0	0	0	112.5	K124 F125 I348 S349 R452	K124-D351 CarbonylContact C-O 3.53Å; K124-D351 WeakPolarHBondContact CA-O 3.18Å; K124-D351 WeakPolarHBondContact CB-O 3.46Å; F125-D351 HydrophobicContact CD2-CB 3.94Å; F125-D351 HydrophobicContact CE2-CB 4.11Å; F125-D351 PolarHBondContact N-O 3.03Å; I348-D351 PolarHBondContact O-N 3.43Å; S349-D351 PolarHBondContact O-N 3.47Å; D351-R452 IonicContact OD1-NH1 3.53Å; D351-R452 PolarHBondContact OD1-NH1 2.89Å; D351-R452 IonicContact OD1-NH2 2.89Å; D351-R452 IonicContact OD2-CZ 2.86Å; D351-R452 IonicContact OD2-NH1 3.88Å; D351-R452 PolarHBondContact OD2-NH1 3.41Å; D351-R452 IonicContact OD2-NH2 3.1Å; D351-R452 PolarHBondContact OD2-NH2 2.96Å
352	L	83.9	Confident	85.8	Confident	1 Å²	1	26.1 Å²	26.1	1%	0.005	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-83.5	141.6	174.9	-60.9	175.6	0	0	0	110.1	K124 F125 V131 I348 S349 P355 I359	K124-L352 WeakPolarHBondContact CD-O 3.43Å; F125-L352 HydrophobicContact CB-CD2 4.27Å; F125-L352 WeakPolarHBondContact O-CA 3.4Å; V131-L352 HydrophobicContact CG2-CD1 3.53Å; V131-L352 HydrophobicContact CG2-CD2 3.76Å; V131-L352 HydrophobicContact CG2-CG 4.32Å; I348-L352 HydrophobicContact CD1-CD2 4.37Å; I348-L352 HydrophobicContact CG1-CD2 4.41Å; S349-L352 PolarHBondContact O-N 3.19Å; L352-P355 HydrophobicContact CB-CB 4.38Å; L352-P355 HydrophobicContact CB-CG 4.05Å; L352-P355 HydrophobicContact CD1-CB 4.44Å; L352-I359 HydrophobicContact CD1-CD1 4.25Å; L352-I359 HydrophobicContact CD1-CG1 3.77Å
353	A	82	Confident	86	Confident	52 Å²	52	26 Å²	26	43%	0.43	14%	0.14	S	C	.	.	S	Bend	trans	-59.5	-49.9	178.3	0	0	0	0	0	111.3	K124 F125	K124-A353 HydrophobicContact CB-CB 4.04Å; F125-A353 PolarHBondContact O-N 3.37Å
354	E	84.6	Confident	86.5	Confident	101 Å²	101	28.4 Å²	28.4	47%	0.472	15%	0.152	S	C	.	.	S	Bend	trans	-134.6	86.2	176.2	-67.2	-175.3	107.9	0	0	109.8	N356 K357 S358	E354-N356 VanDerWaalsContact C-N 3.32Å; E354-N356 PolarHBondContact O-N 2.82Å; E354-K357 HydrophobicContact CB-CB 4.44Å; E354-K357 PolarHBondContact O-N 2.77Å; E354-K357 IonicContact OE1-NZ 2.96Å; E354-K357 PolarHBondContact OE1-NZ 3.35Å; E354-K357 IonicContact OE2-NZ 3.39Å; E354-S358 WeakPolarHBondContact O-CB 3.48Å; E354-S358 PolarHBondContact O-N 3.04Å; E354-S358 PolarHBondContact O-OG 2.73Å
355	P	86.1	Confident	86.9	Confident	19 Å²	19	31.9 Å²	31.9	12%	0.123	17%	0.17	C	C	.	.	H	α-helix	trans	-55.8	-44.7	-175.3	-23.5	31.3	0	0	0	112.9	I187 S349 L352 K357 S358 I359	I187-P355 HydrophobicContact CB-CB 3.99Å; I187-P355 HydrophobicContact CB-CG 4.48Å; I187-P355 HydrophobicContact CD1-CB 3.87Å; I187-P355 HydrophobicContact CG1-CB 4.42Å; S349-P355 VanDerWaalsContact O-CG 3.24Å; S349-P355 WeakPolarHBondContact O-CG 3.42Å; L352-P355 HydrophobicContact CB-CB 4.38Å; L352-P355 HydrophobicContact CB-CG 4.05Å; L352-P355 HydrophobicContact CD1-CB 4.44Å; P355-K357 VanDerWaalsContact C-N 3.25Å; P355-K357 PolarHBondContact O-N 3.34Å; P355-S358 PolarHBondContact O-N 3.4Å; P355-I359 HydrophobicContact CB-CD1 4.14Å; P355-I359 WeakPolarHBondContact O-CB 3.49Å; P355-I359 VanDerWaalsContact O-CG1 3.32Å; P355-I359 WeakPolarHBondContact O-CG1 3.44Å; P355-I359 PolarHBondContact O-N 3.47Å
356	N	88.4	Confident	87.6	Confident	52 Å²	52	31.9 Å²	31.9	28%	0.278	17%	0.17	S	C	.	.	H	α-helix	trans	-63.9	-26.7	-174.2	-57.9	9	0	0	0	113.7	C182 T183 G185 I187 E354 P360	C182-N356 PolarHBondContact O-OD1 2.85Å; T183-N356 WeakPolarHBondContact CG2-O 3.49Å; G185-N356 PolarHBondContact O-ND2 3.08Å; G185-N356 PolarHBondContact O-OD1 3.4Å; I187-N356 WeakPolarHBondContact CD1-OD1 3.22Å; I187-N356 WeakPolarHBondContact CG1-OD1 3.32Å; E354-N356 VanDerWaalsContact C-N 3.32Å; E354-N356 PolarHBondContact O-N 2.82Å; N356-P360 VanDerWaalsContact O-CD 3.29Å; N356-P360 WeakPolarHBondContact O-CD 3.2Å; N356-P360 WeakPolarHBondContact O-CG 3.46Å
357	K	89	Confident	88.1	Confident	120 Å²	120	32.2 Å²	32.2	52%	0.522	17%	0.172	S	C	.	.	H	α-helix	trans	-98.5	-31.9	175.6	-66.4	178.8	-171.2	157.8	0	112.1	E354 P355 K361	E354-K357 HydrophobicContact CB-CB 4.44Å; E354-K357 PolarHBondContact O-N 2.77Å; E354-K357 IonicContact OE1-NZ 2.96Å; E354-K357 PolarHBondContact OE1-NZ 3.35Å; E354-K357 IonicContact OE2-NZ 3.39Å; P355-K357 VanDerWaalsContact C-N 3.25Å; P355-K357 PolarHBondContact O-N 3.34Å; K357-K361 WeakPolarHBondContact O-CG 3.31Å
358	S	90.5	Very high	88.8	Confident	7 Å²	7	34.6 Å²	34.6	5%	0.049	19%	0.192	C	C	.	.	H	α-helix	trans	-75.7	-43.5	-174.5	-60.5	0	0	0	0	112.3	W127 E354 P355 G362	W127-S358 VanDerWaalsContact CB-CB 3.5Å; E354-S358 WeakPolarHBondContact O-CB 3.48Å; E354-S358 PolarHBondContact O-N 3.04Å; E354-S358 PolarHBondContact O-OG 2.73Å; P355-S358 PolarHBondContact O-N 3.4Å; S358-G362 PolarHBondContact O-N 2.95Å
359	I	91.9	Very high	89.5	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61.8	-51.5	-178.5	-64.9	167.3	0	0	0	110.6	V131 M178 C182 I187 A346 L352 P355 K361 G362 T363	V131-I359 HydrophobicContact CG2-CG1 4.44Å; M178-I359 HydrophobicContact CG-CG2 4.45Å; M178-I359 HydrophobicContact SD-CG2 4.22Å; C182-I359 HydrophobicContact CB-CD1 4.36Å; I187-I359 HydrophobicContact CD1-CD1 3.79Å; A346-I359 HydrophobicContact CB-CD1 4.41Å; L352-I359 HydrophobicContact CD1-CD1 4.25Å; L352-I359 HydrophobicContact CD1-CG1 3.77Å; P355-I359 HydrophobicContact CB-CD1 4.14Å; P355-I359 WeakPolarHBondContact O-CB 3.49Å; P355-I359 VanDerWaalsContact O-CG1 3.32Å; P355-I359 WeakPolarHBondContact O-CG1 3.44Å; P355-I359 PolarHBondContact O-N 3.47Å; I359-K361 PolarHBondContact O-N 3.44Å; I359-G362 PolarHBondContact O-N 3.18Å; I359-T363 VanDerWaalsContact O-CB 3.3Å; I359-T363 WeakPolarHBondContact O-CB 3.35Å; I359-T363 PolarHBondContact O-N 3.11Å; I359-T363 PolarHBondContact O-OG1 3.49Å
360	P	93.5	Very high	90.2	Very high	11 Å²	11	37.1 Å²	37.1	7%	0.071	21%	0.207	C	C	.	.	H	α-helix	trans	-60	-46.5	-179.1	-27	36.7	0	0	0	113.9	C179 T183 N356 L364 F536	C179-P360 HydrophobicContact CB-CB 4.19Å; C179-P360 HydrophobicContact CB-CG 4.13Å; C179-P360 WeakPolarHBondContact SG-CA 3.24Å; C179-P360 VanDerWaalsContact SG-CB 3.56Å; T183-P360 HydrophobicContact CG2-CG 4.43Å; N356-P360 VanDerWaalsContact O-CD 3.29Å; N356-P360 WeakPolarHBondContact O-CD 3.2Å; N356-P360 WeakPolarHBondContact O-CG 3.46Å; P360-L364 VanDerWaalsContact O-CB 3.3Å; P360-L364 WeakPolarHBondContact O-CB 3.49Å; P360-L364 WeakPolarHBondContact O-CD1 3.35Å; P360-L364 VanDerWaalsContact O-CG 3.27Å; P360-L364 WeakPolarHBondContact O-CG 3.31Å; P360-L364 PolarHBondContact O-N 2.93Å; P360-F536 HydrophobicContact CB-CD2 4.36Å; P360-F536 HydrophobicContact CB-CE2 4.31Å
361	K	92.3	Very high	91	Very high	130 Å²	130	36.8 Å²	36.8	57%	0.565	20%	0.2	S	C	*	.	H	α-helix	trans	-66.4	-47.5	-178.7	-68.5	-178.7	179.8	-176.2	0	111.7	W127 K357 I359 L365	W127-K361 HydrophobicContact CE3-CB 4.19Å; K357-K361 WeakPolarHBondContact O-CG 3.31Å; I359-K361 PolarHBondContact O-N 3.44Å; K361-L365 WeakPolarHBondContact O-CB 3.41Å; K361-L365 PolarHBondContact O-N 3.04Å
362	G	94	Very high	91.8	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-69.6	-43.8	-176.3	0	0	0	0	0	112.9	L132 S358 I359 G366	L132-G362 WeakPolarHBondContact CD1-O 3.46Å; S358-G362 PolarHBondContact O-N 2.95Å; I359-G362 PolarHBondContact O-N 3.18Å; G362-G366 PolarHBondContact O-N 2.98Å
363	T	94.7	Very high	92.2	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.006	23%	0.232	C	C	.	.	H	α-helix	trans	-70.4	-46.3	-178.6	-60.1	0	0	0	0	111.9	A175 I342 I359 G366 I367	A175-T363 HydrophobicContact CB-CG2 4.04Å; I342-T363 HydrophobicContact CB-CG2 4Å; I342-T363 WeakPolarHBondContact O-CG2 3.32Å; I359-T363 VanDerWaalsContact O-CB 3.3Å; I359-T363 WeakPolarHBondContact O-CB 3.35Å; I359-T363 PolarHBondContact O-N 3.11Å; I359-T363 PolarHBondContact O-OG1 3.49Å; T363-G366 PolarHBondContact O-N 3.22Å; T363-I367 HydrophobicContact CG2-CD1 4.13Å; T363-I367 WeakPolarHBondContact O-CG1 3.48Å; T363-I367 PolarHBondContact O-N 2.87Å
364	L	95.4	Very high	92.8	Very high	52 Å²	52	39.8 Å²	39.8	27%	0.272	21%	0.212	S	C	.	.	H	α-helix	trans	-66.2	-42.4	-179.3	-67.8	173	0	0	0	112.3	A175 L176 P360 G366 I367 A368 F536	A175-L364 HydrophobicContact CB-CD2 3.89Å; L176-L364 HydrophobicContact CD2-CD2 4.23Å; P360-L364 VanDerWaalsContact O-CB 3.3Å; P360-L364 WeakPolarHBondContact O-CB 3.49Å; P360-L364 WeakPolarHBondContact O-CD1 3.35Å; P360-L364 VanDerWaalsContact O-CG 3.27Å; P360-L364 WeakPolarHBondContact O-CG 3.31Å; P360-L364 PolarHBondContact O-N 2.93Å; L364-G366 VanDerWaalsContact C-N 3.35Å; L364-I367 PolarHBondContact O-N 3.46Å; L364-A368 PolarHBondContact O-N 3.29Å; L364-F536 HydrophobicContact CD1-CE2 4.3Å; L364-F536 HydrophobicContact CD1-CZ 4.07Å
365	L	95.4	Very high	93.3	Very high	75 Å²	75	36.8 Å²	36.8	39%	0.393	20%	0.199	S	C	.	.	H	α-helix	trans	-68.3	-36.7	175.2	-176.6	63.8	0	0	0	111.3	W127 L132 K361 A368 V369	W127-L365 HydrophobicContact CH2-CD2 4.21Å; W127-L365 HydrophobicContact CZ3-CD2 4.1Å; L132-L365 HydrophobicContact CD1-CB 3.87Å; L132-L365 HydrophobicContact CD1-CD2 3.97Å; L132-L365 HydrophobicContact CD1-CG 3.83Å; L132-L365 HydrophobicContact CD2-CD2 3.89Å; K361-L365 WeakPolarHBondContact O-CB 3.41Å; K361-L365 PolarHBondContact O-N 3.04Å; L365-A368 PolarHBondContact O-N 3.38Å; L365-V369 HydrophobicContact CD1-CG2 4.2Å; L365-V369 HydrophobicContact CG-CG2 4.28Å; L365-V369 VanDerWaalsContact O-CG2 3.32Å; L365-V369 WeakPolarHBondContact O-CG2 3.32Å; L365-V369 PolarHBondContact O-N 2.69Å
366	G	94.6	Very high	93.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.1	-43.2	175.4	0	0	0	0	0	112.4	G362 T363 L364 T370	G362-G366 PolarHBondContact O-N 2.98Å; T363-G366 PolarHBondContact O-N 3.22Å; L364-G366 VanDerWaalsContact C-N 3.35Å; G366-T370 WeakPolarHBondContact O-CB 3.08Å; G366-T370 VanDerWaalsContact O-CG2 3.24Å; G366-T370 WeakPolarHBondContact O-CG2 3.42Å; G366-T370 PolarHBondContact O-N 2.84Å; G366-T370 PolarHBondContact O-OG1 3.31Å
367	I	95.4	Very high	93.8	Very high	7 Å²	7	35 Å²	35	4%	0.036	19%	0.191	C	C	.	.	H	α-helix	trans	-60.1	-50.1	172.2	-67	165.2	0	0	0	109.9	T168 A175 I342 T363 L364 V369 T370 T371	T168-I367 HydrophobicContact CG2-CG2 3.98Å; A175-I367 HydrophobicContact CB-CD1 3.5Å; A175-I367 VanDerWaalsContact CB-CD1 3.5Å; I342-I367 HydrophobicContact CB-CD1 4.46Å; I342-I367 HydrophobicContact CG2-CD1 3.71Å; I342-I367 HydrophobicContact CG2-CG1 3.55Å; T363-I367 HydrophobicContact CG2-CD1 4.13Å; T363-I367 WeakPolarHBondContact O-CG1 3.48Å; T363-I367 PolarHBondContact O-N 2.87Å; L364-I367 PolarHBondContact O-N 3.46Å; I367-V369 PolarHBondContact O-N 2.99Å; I367-T370 PolarHBondContact O-N 3.04Å; I367-T370 PolarHBondContact O-OG1 3.26Å; I367-T370 VanDerWaalsContact O-OG1 3.07Å; I367-T371 WeakPolarHBondContact O-CB 3.35Å; I367-T371 PolarHBondContact O-N 3.09Å; I367-T371 PolarHBondContact O-OG1 3.29Å
368	A	95.6	Very high	94	Very high	52 Å²	52	29.3 Å²	29.3	43%	0.43	17%	0.166	S	C	.	.	H	α-helix	trans	-59.3	-46.6	-178.5	0	0	0	0	0	112.8	L364 L365 V372	L364-A368 PolarHBondContact O-N 3.29Å; L365-A368 PolarHBondContact O-N 3.38Å; A368-V372 WeakPolarHBondContact O-CG2 3.3Å; A368-V372 PolarHBondContact O-N 3.05Å
369	V	95.2	Very high	94.1	Very high	53 Å²	53	35 Å²	35	32%	0.321	19%	0.187	S	C	.	.	H	α-helix	trans	-64.2	-46.6	179.2	171.4	0	0	0	0	110.9	I136 L365 I367 V372 L373	I136-V369 HydrophobicContact CD1-CB 4.3Å; I136-V369 HydrophobicContact CD1-CG1 4.02Å; I136-V369 HydrophobicContact CG1-CG1 4.46Å; L365-V369 HydrophobicContact CD1-CG2 4.2Å; L365-V369 HydrophobicContact CG-CG2 4.28Å; L365-V369 VanDerWaalsContact O-CG2 3.32Å; L365-V369 WeakPolarHBondContact O-CG2 3.32Å; L365-V369 PolarHBondContact O-N 2.69Å; I367-V369 PolarHBondContact O-N 2.99Å; V369-V372 PolarHBondContact O-N 3.17Å; V369-L373 HydrophobicContact CG1-CD1 4.14Å; V369-L373 WeakPolarHBondContact O-CG 3.37Å; V369-L373 PolarHBondContact O-N 3.14Å; V369-L373 VanDerWaalsContact O-N 3.08Å
370	T	94.2	Very high	94.2	Very high	4 Å²	4	36.3 Å²	36.3	3%	0.025	19%	0.193	C	C	.	.	H	α-helix	trans	-69.7	-37.8	-177.1	51.4	0	0	0	0	112.3	I136 I139 L140 G366 I367 V372 L373 Y374	I136-T370 HydrophobicContact CB-CG2 4.18Å; I136-T370 HydrophobicContact CG1-CG2 4.1Å; I136-T370 HydrophobicContact CG2-CG2 4.03Å; I139-T370 HydrophobicContact CB-CG2 3.85Å; I139-T370 HydrophobicContact CD1-CG2 4.28Å; I139-T370 VanDerWaalsContact CG2-CB 3.48Å; I139-T370 HydrophobicContact CG2-CG2 3.64Å; I139-T370 WeakPolarHBondContact CG2-OG1 3.29Å; L140-T370 HydrophobicContact CD2-CG2 4.18Å; L140-T370 HydrophobicContact CG-CG2 4.45Å; G366-T370 WeakPolarHBondContact O-CB 3.08Å; G366-T370 VanDerWaalsContact O-CG2 3.24Å; G366-T370 WeakPolarHBondContact O-CG2 3.42Å; G366-T370 PolarHBondContact O-N 2.84Å; G366-T370 PolarHBondContact O-OG1 3.31Å; I367-T370 PolarHBondContact O-N 3.04Å; I367-T370 PolarHBondContact O-OG1 3.26Å; I367-T370 VanDerWaalsContact O-OG1 3.07Å; T370-V372 VanDerWaalsContact C-N 3.28Å; T370-V372 PolarHBondContact O-N 3.4Å; T370-L373 PolarHBondContact O-N 3.13Å; T370-Y374 VanDerWaalsContact O-CD2 3.25Å; T370-Y374 WeakPolarHBondContact O-CD2 3.25Å; T370-Y374 PolarHBondContact O-N 3.42Å
371	T	94.8	Very high	94.1	Very high	18 Å²	18	35.8 Å²	35.8	11%	0.11	19%	0.19	C	C	.	.	H	α-helix	trans	-57.4	-43.2	172	-62.2	0	0	0	0	111	V164 T168 I367 Y374 L375	V164-T371 HydrophobicContact CG1-CG2 4.28Å; T168-T371 HydrophobicContact CG2-CG2 4.04Å; T168-T371 VanDerWaalsContact CG2-OG1 3.25Å; T168-T371 WeakPolarHBondContact CG2-OG1 3.45Å; T168-T371 WeakPolarHBondContact OG1-CG2 3.3Å; T168-T371 PolarHBondContact OG1-OG1 3.48Å; I367-T371 WeakPolarHBondContact O-CB 3.35Å; I367-T371 PolarHBondContact O-N 3.09Å; I367-T371 PolarHBondContact O-OG1 3.29Å; T371-Y374 PolarHBondContact O-N 3.18Å; T371-L375 HydrophobicContact CG2-CD1 4.01Å; T371-L375 HydrophobicContact CG2-CG 4.38Å; T371-L375 WeakPolarHBondContact O-CB 3.43Å; T371-L375 VanDerWaalsContact O-CG 3.27Å; T371-L375 WeakPolarHBondContact O-CG 3.48Å; T371-L375 PolarHBondContact O-N 2.64Å
372	V	95.5	Very high	94	Very high	95 Å²	95	29.6 Å²	29.6	58%	0.576	16%	0.163	S	C	*	.	H	α-helix	trans	-61.8	-46	176.2	172.8	0	0	0	0	111	A368 V369 T370 Y374 L375 S376	A368-V372 WeakPolarHBondContact O-CG2 3.3Å; A368-V372 PolarHBondContact O-N 3.05Å; V369-V372 PolarHBondContact O-N 3.17Å; T370-V372 VanDerWaalsContact C-N 3.28Å; T370-V372 PolarHBondContact O-N 3.4Å; V372-Y374 PolarHBondContact O-N 3.05Å; V372-L375 PolarHBondContact O-N 3.21Å; V372-S376 PolarHBondContact O-N 3.17Å; V372-S376 PolarHBondContact O-OG 3Å
373	L	93.8	Very high	93.9	Very high	37 Å²	37	30.1 Å²	30.1	19%	0.194	17%	0.167	C	C	.	.	H	α-helix	trans	-62.5	-40	179	-65.9	172.6	0	0	0	112.8	L140 Y287 V369 T370 S376 G377	L140-L373 HydrophobicContact CD1-CD1 4.35Å; L140-L373 HydrophobicContact CD2-CB 4.37Å; L140-L373 HydrophobicContact CD2-CD1 3.96Å; Y287-L373 HydrophobicContact CD1-CD2 3.7Å; Y287-L373 HydrophobicContact CE1-CD2 3.4Å; Y287-L373 HydrophobicContact CE2-CD2 4.42Å; Y287-L373 HydrophobicContact CG-CD2 4.33Å; Y287-L373 PolarHBondContact OH-O 2.93Å; V369-L373 HydrophobicContact CG1-CD1 4.14Å; V369-L373 WeakPolarHBondContact O-CG 3.37Å; V369-L373 PolarHBondContact O-N 3.14Å; V369-L373 VanDerWaalsContact O-N 3.08Å; T370-L373 PolarHBondContact O-N 3.13Å; L373-S376 WeakPolarHBondContact CA-OG 3.19Å; L373-S376 PolarHBondContact O-OG 2.89Å; L373-S376 VanDerWaalsContact O-OG 3.1Å; L373-G377 PolarHBondContact O-N 3.1Å
374	Y	94	Very high	93.7	Very high	1 Å²	1	30 Å²	30	0%	0.004	17%	0.167	C	C	.	.	H	α-helix	trans	-68.6	-42.2	176.2	-85	-67.7	0	0	0	112.2	I139 L140 L144 L148 Y335 S338 T370 T371 V372 G377 I378	I139-Y374 HydrophobicContact CG2-CE2 3.92Å; I139-Y374 PolarHBondContact O-OH 3.07Å; L140-Y374 WeakPolarHBondContact CA-OH 3.44Å; L140-Y374 HydrophobicContact CD2-CE2 4.18Å; L140-Y374 PolarHBondContact O-OH 2.84Å; L144-Y374 HydrophobicContact CB-CE1 4.2Å; L144-Y374 HydrophobicContact CD1-CD1 3.91Å; L144-Y374 HydrophobicContact CD1-CE1 3.72Å; L144-Y374 HydrophobicContact CD1-CG 4.49Å; L148-Y374 HydrophobicContact CD1-CD1 3.68Å; L148-Y374 HydrophobicContact CD1-CE1 4.25Å; L148-Y374 HydrophobicContact CD2-CD1 4.19Å; Y335-Y374 AromaticContact CE2-CD1 3.76Å; Y335-Y374 HydrophobicContact CE2-CD1 3.76Å; Y335-Y374 AromaticContact CE2-CE1 3.98Å; Y335-Y374 HydrophobicContact CE2-CE1 3.98Å; Y335-Y374 HydrophobicContact CE2-CG 4.15Å; S338-Y374 WeakPolarHBondContact CB-OH 3.35Å; T370-Y374 VanDerWaalsContact O-CD2 3.25Å; T370-Y374 WeakPolarHBondContact O-CD2 3.25Å; T370-Y374 PolarHBondContact O-N 3.42Å; T371-Y374 PolarHBondContact O-N 3.18Å; V372-Y374 PolarHBondContact O-N 3.05Å; Y374-G377 PolarHBondContact O-N 3.48Å; Y374-I378 WeakPolarHBondContact O-CG1 3.47Å; Y374-I378 PolarHBondContact O-N 2.66Å
375	L	94.8	Very high	93.5	Very high	39 Å²	39	27.7 Å²	27.7	20%	0.204	16%	0.155	C	C	.	.	H	α-helix	trans	-64.1	-46.3	176.4	-71.2	178.1	0	0	0	111.5	T161 V164 L165 T371 V372 G377 I378 W379	T161-L375 HydrophobicContact CG2-CD2 3.82Å; V164-L375 HydrophobicContact CB-CD2 3.92Å; V164-L375 HydrophobicContact CG1-CD2 3.74Å; V164-L375 HydrophobicContact CG1-CG 3.95Å; V164-L375 HydrophobicContact CG2-CD2 4.47Å; L165-L375 HydrophobicContact CD2-CD1 4.26Å; T371-L375 HydrophobicContact CG2-CD1 4.01Å; T371-L375 HydrophobicContact CG2-CG 4.38Å; T371-L375 WeakPolarHBondContact O-CB 3.43Å; T371-L375 VanDerWaalsContact O-CG 3.27Å; T371-L375 WeakPolarHBondContact O-CG 3.48Å; T371-L375 PolarHBondContact O-N 2.64Å; V372-L375 PolarHBondContact O-N 3.21Å; L375-G377 VanDerWaalsContact C-N 3.31Å; L375-G377 PolarHBondContact O-N 3.49Å; L375-I378 PolarHBondContact O-N 2.81Å; L375-W379 WeakPolarHBondContact O-CB 3.44Å; L375-W379 PolarHBondContact O-N 2.9Å
376	S	93.9	Very high	93.4	Very high	33 Å²	33	25.2 Å²	25.2	23%	0.231	14%	0.142	C	C	.	.	H	α-helix	trans	-62.1	-41.1	175.8	52	0	0	0	0	111.3	Y287 V372 L373 W379 L380	Y287-S376 PolarHBondContact OH-OG 2.87Å; V372-S376 PolarHBondContact O-N 3.17Å; V372-S376 PolarHBondContact O-OG 3Å; L373-S376 WeakPolarHBondContact CA-OG 3.19Å; L373-S376 PolarHBondContact O-OG 2.89Å; L373-S376 VanDerWaalsContact O-OG 3.1Å; S376-W379 PolarHBondContact O-N 3.12Å; S376-L380 VanDerWaalsContact O-CB 3.23Å; S376-L380 WeakPolarHBondContact O-CB 3.42Å; S376-L380 WeakPolarHBondContact O-CD1 3.25Å; S376-L380 WeakPolarHBondContact O-CG 3.47Å; S376-L380 PolarHBondContact O-N 2.89Å
377	G	91.5	Very high	93	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-59.4	-50.8	177	0	0	0	0	0	112.6	L148 Y287 L373 Y374 L375 W379 L380 T381	L148-G377 VanDerWaalsContact CD2-CA 3.46Å; Y287-G377 PolarHBondContact OH-N 3.39Å; L373-G377 PolarHBondContact O-N 3.1Å; Y374-G377 PolarHBondContact O-N 3.48Å; L375-G377 VanDerWaalsContact C-N 3.31Å; L375-G377 PolarHBondContact O-N 3.49Å; G377-W379 VanDerWaalsContact C-N 3.35Å; G377-W379 PolarHBondContact O-N 3.35Å; G377-L380 PolarHBondContact O-N 2.94Å; G377-T381 WeakPolarHBondContact O-CB 3.33Å; G377-T381 VanDerWaalsContact O-CG2 3.29Å; G377-T381 WeakPolarHBondContact O-CG2 3.38Å; G377-T381 PolarHBondContact O-N 3.07Å; G377-T381 PolarHBondContact O-OG1 2.91Å
378	I	92.3	Very high	92.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-59	-46	178.3	-69	178.6	0	0	0	111.7	L148 V151 A152 I157 V164 Y374 L375 T381 G382	L148-I378 HydrophobicContact CD1-CD1 3.82Å; L148-I378 HydrophobicContact CD1-CG1 3.31Å; L148-I378 HydrophobicContact CD2-CG1 4.24Å; L148-I378 HydrophobicContact CG-CG1 3.67Å; V151-I378 HydrophobicContact CG1-CD1 4.25Å; A152-I378 HydrophobicContact CB-CG2 4.3Å; I157-I378 HydrophobicContact CG2-CG2 4.46Å; V164-I378 HydrophobicContact CG2-CD1 3.38Å; Y374-I378 WeakPolarHBondContact O-CG1 3.47Å; Y374-I378 PolarHBondContact O-N 2.66Å; L375-I378 PolarHBondContact O-N 2.81Å; I378-T381 PolarHBondContact O-OG1 3.44Å; I378-G382 WeakPolarHBondContact O-CA 3.4Å; I378-G382 PolarHBondContact O-N 3.34Å
379	W	93.9	Very high	92.3	Very high	128 Å²	128	25.4 Å²	25.4	49%	0.485	13%	0.133	S	C	.	.	H	α-helix	trans	-66.4	-41.5	-176.5	-82.5	58.8	0	0	0	111.6	I157 T161 L375 S376 G377 A383	I157-W379 HydrophobicContact CG2-CD2 3.98Å; I157-W379 HydrophobicContact CG2-CG 3.96Å; T161-W379 PolarHBondContact OG1-NE1 3.11Å; L375-W379 WeakPolarHBondContact O-CB 3.44Å; L375-W379 PolarHBondContact O-N 2.9Å; S376-W379 PolarHBondContact O-N 3.12Å; G377-W379 VanDerWaalsContact C-N 3.35Å; G377-W379 PolarHBondContact O-N 3.35Å; W379-A383 WeakPolarHBondContact O-CB 3.44Å; W379-A383 PolarHBondContact O-N 3.32Å
380	L	93	Very high	91.8	Very high	26 Å²	26	24.1 Å²	24.1	14%	0.136	13%	0.126	C	C	.	.	H	α-helix	trans	-70.8	-56.3	-179.4	-66.8	171.6	0	0	0	110.7	F290 L291 T294 Y310 S376 G377 G382 A383 T384	F290-L380 HydrophobicContact CE1-CB 4.36Å; F290-L380 HydrophobicContact CE1-CD1 3.97Å; F290-L380 HydrophobicContact CZ-CB 3.92Å; F290-L380 HydrophobicContact CZ-CD1 4.34Å; L291-L380 HydrophobicContact CD2-CD1 3.14Å; T294-L380 HydrophobicContact CG2-CB 4.24Å; Y310-L380 HydrophobicContact CE1-CD2 4.21Å; Y310-L380 WeakPolarHBondContact OH-CD2 3.29Å; S376-L380 VanDerWaalsContact O-CB 3.23Å; S376-L380 WeakPolarHBondContact O-CB 3.42Å; S376-L380 WeakPolarHBondContact O-CD1 3.25Å; S376-L380 WeakPolarHBondContact O-CG 3.47Å; S376-L380 PolarHBondContact O-N 2.89Å; G377-L380 PolarHBondContact O-N 2.94Å; L380-G382 PolarHBondContact O-N 2.86Å; L380-A383 PolarHBondContact O-N 3.24Å; L380-T384 PolarHBondContact O-N 3.37Å; L380-T384 PolarHBondContact O-OG1 2.86Å
381	T	91.1	Very high	91.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-58.1	-39.1	179.6	60.3	0	0	0	0	111.5	F290 G377 I378 C385 M421 E424	F290-T381 HydrophobicContact CE2-CG2 3.92Å; F290-T381 HydrophobicContact CZ-CG2 3.84Å; G377-T381 WeakPolarHBondContact O-CB 3.33Å; G377-T381 VanDerWaalsContact O-CG2 3.29Å; G377-T381 WeakPolarHBondContact O-CG2 3.38Å; G377-T381 PolarHBondContact O-N 3.07Å; G377-T381 PolarHBondContact O-OG1 2.91Å; I378-T381 PolarHBondContact O-OG1 3.44Å; T381-C385 WeakPolarHBondContact O-CB 3.44Å; T381-C385 PolarHBondContact O-N 3.07Å; T381-C385 VanDerWaalsContact O-N 3.14Å; T381-M421 HydrophobicContact CG2-CG 3.48Å; T381-M421 VanDerWaalsContact CG2-CG 3.48Å; T381-M421 HydrophobicContact CG2-SD 4.24Å; T381-E424 WeakPolarHBondContact CA-OE2 3.27Å; T381-E424 VanDerWaalsContact CG2-OE2 3.25Å; T381-E424 WeakPolarHBondContact CG2-OE2 2.96Å
382	G	91.1	Very high	90.7	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-71.4	-26.5	177.8	0	0	0	0	0	113.7	N318 I378 L380	N318-G382 WeakPolarHBondContact CB-O 3.38Å; N318-G382 PolarHBondContact ND2-O 2.89Å; I378-G382 WeakPolarHBondContact O-CA 3.4Å; I378-G382 PolarHBondContact O-N 3.34Å; L380-G382 PolarHBondContact O-N 2.86Å
383	A	91.5	Very high	90.2	Very high	11 Å²	11	24.6 Å²	24.6	9%	0.091	13%	0.133	C	C	.	.	H	α-helix	trans	-84.2	-25	178	0	0	0	0	0	113.1	Y310 F315 W379 L380	Y310-A383 HydrophobicContact CD1-CB 4.31Å; Y310-A383 HydrophobicContact CE1-CB 4.4Å; F315-A383 HydrophobicContact CD2-CB 4.07Å; W379-A383 WeakPolarHBondContact O-CB 3.44Å; W379-A383 PolarHBondContact O-N 3.32Å; L380-A383 PolarHBondContact O-N 3.24Å
384	T	91.8	Very high	89.7	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-110.8	-12.3	-170.8	51	0	0	0	0	115.8	I307 T308 G309 Y310 L380 E424	I307-T384 CarbonylContact C-O 3.14Å; I307-T384 WeakPolarHBondContact CA-O 3.34Å; T308-T384 PolarHBondContact N-O 3.43Å; T308-T384 PolarHBondContact OG1-O 3.23Å; G309-T384 PolarHBondContact N-O 2.98Å; Y310-T384 HydrophobicContact CD1-CG2 3.96Å; Y310-T384 HydrophobicContact CD2-CG2 4.43Å; Y310-T384 HydrophobicContact CE1-CG2 3.94Å; Y310-T384 HydrophobicContact CE2-CG2 4.4Å; Y310-T384 HydrophobicContact CG-CG2 4.22Å; L380-T384 PolarHBondContact O-N 3.37Å; L380-T384 PolarHBondContact O-OG1 2.86Å; T384-E424 VanDerWaalsContact OG1-CD 3.32Å; T384-E424 PolarHBondContact OG1-OE1 3.06Å
385	C	91.2	Very high	89.1	Confident	2 Å²	2	30.2 Å²	30.2	1%	0.014	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-124	137.4	-179	-170.9	0	0	0	0	112.6	G306 T314 N318 T381 L414 V420 E424	G306-C385 WeakPolarHBondContact O-CA 3.38Å; T314-C385 WeakPolarHBondContact CG2-O 3.19Å; N318-C385 PolarHBondContact ND2-O 3.19Å; T381-C385 WeakPolarHBondContact O-CB 3.44Å; T381-C385 PolarHBondContact O-N 3.07Å; T381-C385 VanDerWaalsContact O-N 3.14Å; C385-L414 HydrophobicContact CB-CD1 4.33Å; C385-L414 HydrophobicContact CB-CD2 3.98Å; C385-L414 HydrophobicContact CB-CG 3.88Å; C385-L414 WeakPolarHBondContact O-CD1 3.16Å; C385-V420 HydrophobicContact CB-CG1 3.92Å; C385-E424 WeakPolarHBondContact CB-OE1 3.4Å
386	I	91.3	Very high	88.5	Confident	24 Å²	24	30.1 Å²	30.1	12%	0.123	16%	0.163	C	C	.	.			trans	-78.3	158.6	172.8	65.2	-179.2	0	0	0	111.7	G306 T308 T314 N388 A389 I401 G413 L414	G306-I386 PolarHBondContact O-N 2.89Å; T308-I386 HydrophobicContact CG2-CG2 3.79Å; T314-I386 HydrophobicContact CG2-CG2 4Å; I386-N388 VanDerWaalsContact CD1-O 3.24Å; I386-N388 WeakPolarHBondContact CD1-O 3.35Å; I386-N388 PolarHBondContact O-N 3.29Å; I386-A389 HydrophobicContact CD1-CB 4.12Å; I386-A389 HydrophobicContact CG1-CB 4.28Å; I386-I401 HydrophobicContact CD1-CG2 4.03Å; I386-G413 WeakPolarHBondContact O-CA 3.46Å; I386-L414 PolarHBondContact O-N 3.11Å
387	R	87.8	Confident	88	Confident	33 Å²	33	35.3 Å²	35.3	13%	0.125	18%	0.178	C	C	.	.	S	Bend	trans	-63.9	-41.9	-178.2	-69.8	-169	162.2	115	13.4	114.9	G153 E317 N318 L320 G413 L414 L415	G153-R387 PolarHBondContact O-NE 3.32Å; G153-R387 PolarHBondContact O-NH2 3.47Å; E317-R387 PolarHBondContact O-NH1 3Å; N318-R387 VanDerWaalsContact OD1-CG 3.32Å; N318-R387 WeakPolarHBondContact OD1-CG 3.29Å; L320-R387 PolarHBondContact O-NH1 3.5Å; L320-R387 PolarHBondContact O-NH2 3.16Å; R387-G413 CarbonylContact O-C 3.55Å; R387-L414 PolarHBondContact O-N 3.25Å; R387-L414 VanDerWaalsContact O-N 3.17Å; R387-L415 HydrophobicContact CB-CD1 3.93Å; R387-L415 HydrophobicContact CB-CG 4.13Å; R387-L415 PolarHBondContact O-N 3.3Å
388	N	88.1	Confident	87.6	Confident	29 Å²	29	41.1 Å²	41.1	16%	0.155	21%	0.209	C	C	.	.			trans	-133.1	124.5	-170.5	-75.1	-45.6	0	0	0	108.8	I386 A405 C410 N416	I386-N388 VanDerWaalsContact CD1-O 3.24Å; I386-N388 WeakPolarHBondContact CD1-O 3.35Å; I386-N388 PolarHBondContact O-N 3.29Å; N388-A405 HydrophobicContact CB-CB 3.95Å; N388-C410 HydrophobicContact CB-CB 4.43Å; N388-N416 PolarHBondContact OD1-ND2 3.15Å
389	A	87.1	Confident	86.9	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-138.7	138.9	176.3	0	0	0	0	0	111.2	Q305 I386 I401 C404 H412	Q305-A389 VanDerWaalsContact C-CB 3.49Å; Q305-A389 WeakPolarHBondContact O-CB 3.32Å; I386-A389 HydrophobicContact CD1-CB 4.12Å; I386-A389 HydrophobicContact CG1-CB 4.28Å; A389-I401 HydrophobicContact CB-CG2 3.87Å; A389-C404 VanDerWaalsContact C-SG 3.57Å; A389-H412 HydrophobicContact CB-CB 4Å; A389-H412 PolarHBondContact N-O 3.17Å; A389-H412 CarbonylContact O-C 3.54Å; A389-H412 WeakPolarHBondContact O-CA 3.27Å; A389-H412 PolarHBondContact O-N 3.04Å; A389-H412 VanDerWaalsContact O-O 3.13Å
390	S	84.7	Confident	86.4	Confident	26 Å²	26	41.1 Å²	41.1	18%	0.182	24%	0.237	C	C	.	.			trans	-66.4	-39.8	177	170	0	0	0	0	112.3	S392 D395 I401 C404	S390-S392 VanDerWaalsContact C-N 3.27Å; S390-D395 WeakPolarHBondContact CB-OD2 3.26Å; S390-D395 PolarHBondContact OG-OD2 3.44Å; S390-I401 PolarHBondContact N-O 2.86Å; S390-I401 VanDerWaalsContact N-O 3.07Å; S390-C404 PolarHBondContact N-SG 3.3Å; S390-C404 VanDerWaalsContact N-SG 3.36Å
391	G	82.9	Confident	85.9	Confident	20 Å²	20	41.1 Å²	41.1	21%	0.206	24%	0.236	C	C	.	.			trans	88.5	-16.1	-169.9	0	0	0	0	0	113.8	A304	A304-G391 WeakPolarHBondContact O-CA 3.4Å; A304-G391 PolarHBondContact O-N 2.95Å
392	S	83.7	Confident	85.4	Confident	42 Å²	42	43.7 Å²	43.7	29%	0.294	26%	0.258	S	S	.	.			trans	-76.4	132.9	178.2	-176.7	0	0	0	0	112.4	S390 D394 D395 L396	S390-S392 VanDerWaalsContact C-N 3.27Å; S392-D394 PolarHBondContact O-N 2.89Å; S392-D394 PolarHBondContact OG-N 3.45Å; S392-D395 PolarHBondContact O-N 2.93Å; S392-L396 PolarHBondContact O-N 2.65Å
393	L	83.7	Confident	84.8	Confident	65 Å²	65	45.9 Å²	45.9	34%	0.34	28%	0.276	S	S	.	.	H	α-helix	trans	-65.3	-28.6	171.6	-81.7	87.5	0	0	0	111.9	A304 L396 Y397	A304-L393 HydrophobicContact CB-CD1 4.46Å; A304-L393 HydrophobicContact CB-CG 4.37Å; L393-L396 WeakPolarHBondContact O-CB 3.42Å; L393-L396 PolarHBondContact O-N 3.39Å; L393-Y397 HydrophobicContact CB-CE2 4.32Å; L393-Y397 WeakPolarHBondContact O-CD2 3.41Å; L393-Y397 PolarHBondContact O-N 3.04Å; L393-Y397 VanDerWaalsContact O-N 3.09Å
394	D	83.5	Confident	84.4	Confident	112 Å²	112	46.1 Å²	46.1	60%	0.599	28%	0.277	S	S	*	.	H	α-helix	trans	-67.4	-40.2	-180	-64.5	-31.8	0	0	0	111.2	S392 L396 Y397 N398	S392-D394 PolarHBondContact O-N 2.89Å; S392-D394 PolarHBondContact OG-N 3.45Å; D394-L396 VanDerWaalsContact C-N 3.28Å; D394-L396 PolarHBondContact O-N 3.14Å; D394-Y397 PolarHBondContact O-N 3.21Å; D394-N398 PolarHBondContact O-N 3.06Å; D394-N398 PolarHBondContact O-ND2 3.09Å
395	D	82.5	Confident	83.8	Confident	45 Å²	45	47.9 Å²	47.9	24%	0.241	29%	0.292	C	S	.	.	H	α-helix	trans	-68.4	-29.6	175.8	-68.4	-29.8	0	0	0	112.1	S390 S392 G399 T400 I401	S390-D395 WeakPolarHBondContact CB-OD2 3.26Å; S390-D395 PolarHBondContact OG-OD2 3.44Å; S392-D395 PolarHBondContact O-N 2.93Å; D395-G399 PolarHBondContact O-N 2.89Å; D395-T400 PolarHBondContact O-N 3.27Å; D395-I401 PolarHBondContact O-N 3.31Å
396	L	81.5	Confident	83.2	Confident	37 Å²	37	56 Å²	56	19%	0.194	33%	0.329	C	S	.	.	H	α-helix	trans	-65.6	-45.1	171.8	170.2	66.6	0	0	0	111.5	K300 M303 A304 S392 L393 D394 N398 G399 I401	K300-L396 HydrophobicContact CB-CD2 4.35Å; K300-L396 WeakPolarHBondContact O-CD2 3.42Å; M303-L396 HydrophobicContact CB-CD1 3.97Å; M303-L396 HydrophobicContact CB-CD2 3.93Å; A304-L396 HydrophobicContact CB-CB 4.34Å; A304-L396 HydrophobicContact CB-CD2 4.19Å; S392-L396 PolarHBondContact O-N 2.65Å; L393-L396 WeakPolarHBondContact O-CB 3.42Å; L393-L396 PolarHBondContact O-N 3.39Å; D394-L396 VanDerWaalsContact C-N 3.28Å; D394-L396 PolarHBondContact O-N 3.14Å; L396-N398 VanDerWaalsContact C-N 3.33Å; L396-N398 PolarHBondContact O-N 2.65Å; L396-G399 PolarHBondContact O-N 2.85Å; L396-I401 VanDerWaalsContact CA-CG1 3.48Å; L396-I401 HydrophobicContact CB-CD1 3.91Å; L396-I401 HydrophobicContact CB-CG1 4.04Å; L396-I401 HydrophobicContact CD1-CD1 3.36Å; L396-I401 HydrophobicContact CD1-CG1 4.36Å; L396-I401 HydrophobicContact CG-CD1 4.22Å
397	Y	83.7	Confident	82.6	Confident	142 Å²	142	60.9 Å²	60.9	56%	0.557	36%	0.355	S	S	*	.	H	α-helix	trans	-68.5	-31.5	177.4	-70.6	-63	0	0	0	112.8	K300 L393 D394 G399	K300-Y397 PolarHBondContact NZ-OH 3Å; L393-Y397 HydrophobicContact CB-CE2 4.32Å; L393-Y397 WeakPolarHBondContact O-CD2 3.41Å; L393-Y397 PolarHBondContact O-N 3.04Å; L393-Y397 VanDerWaalsContact O-N 3.09Å; D394-Y397 PolarHBondContact O-N 3.21Å; Y397-G399 VanDerWaalsContact C-N 3.34Å
398	N	83.3	Confident	82	Confident	121 Å²	121	64.6 Å²	64.6	65%	0.647	39%	0.387	S	S	*	.	H	α-helix	trans	-80.2	-12.9	175.8	-69.9	-19.5	0	0	0	113.8	D394 L396 T400	D394-N398 PolarHBondContact O-N 3.06Å; D394-N398 PolarHBondContact O-ND2 3.09Å; L396-N398 VanDerWaalsContact C-N 3.33Å; L396-N398 PolarHBondContact O-N 2.65Å; N398-T400 VanDerWaalsContact C-N 3.31Å
399	G	78.3	Confident	81.6	Confident	67 Å²	67	67.1 Å²	67.1	69%	0.691	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.8	16.7	-176.3	0	0	0	0	0	114.4	D395 L396 Y397	D395-G399 PolarHBondContact O-N 2.89Å; L396-G399 PolarHBondContact O-N 2.85Å; Y397-G399 VanDerWaalsContact C-N 3.34Å
400	T	82.7	Confident	81.4	Confident	61 Å²	61	67.6 Å²	67.6	37%	0.374	41%	0.407	S	S	.	.			trans	-108.8	22.7	-174.8	51.1	0	0	0	0	113.4	D395 N398 A402 A403	D395-T400 PolarHBondContact O-N 3.27Å; N398-T400 VanDerWaalsContact C-N 3.31Å; T400-A402 PolarHBondContact O-N 2.89Å; T400-A402 VanDerWaalsContact O-N 3.1Å; T400-A403 VanDerWaalsContact O-CB 3.22Å; T400-A403 WeakPolarHBondContact O-CB 3.44Å; T400-A403 PolarHBondContact O-N 3.45Å
401	I	82.7	Confident	81.3	Confident	26 Å²	26	73.3 Å²	73.3	13%	0.133	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-37.6	-175.2	-55.3	171.2	0	0	0	113.6	I386 A389 S390 D395 L396 C404	I386-I401 HydrophobicContact CD1-CG2 4.03Å; A389-I401 HydrophobicContact CB-CG2 3.87Å; S390-I401 PolarHBondContact N-O 2.86Å; S390-I401 VanDerWaalsContact N-O 3.07Å; D395-I401 PolarHBondContact O-N 3.31Å; L396-I401 VanDerWaalsContact CA-CG1 3.48Å; L396-I401 HydrophobicContact CB-CD1 3.91Å; L396-I401 HydrophobicContact CB-CG1 4.04Å; L396-I401 HydrophobicContact CD1-CD1 3.36Å; L396-I401 HydrophobicContact CD1-CG1 4.36Å; L396-I401 HydrophobicContact CG-CD1 4.22Å; I401-C404 PolarHBondContact O-SG 2.91Å
402	A	79.6	Confident	81.3	Confident	54 Å²	54	74.8 Å²	74.8	45%	0.446	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-5.1	-177.9	0	0	0	0	0	113.7	T400 C404 A405	T400-A402 PolarHBondContact O-N 2.89Å; T400-A402 VanDerWaalsContact O-N 3.1Å; A402-C404 PolarHBondContact O-N 3.46Å; A402-A405 WeakPolarHBondContact O-CB 3.13Å; A402-A405 PolarHBondContact O-N 2.95Å; A402-A405 VanDerWaalsContact O-N 3.11Å
403	A	80.1	Confident	81.5	Confident	47 Å²	47	72.8 Å²	72.8	39%	0.388	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-66.8	-23	-176.7	0	0	0	0	0	112.9	T400 A405 E406	T400-A403 VanDerWaalsContact O-CB 3.22Å; T400-A403 WeakPolarHBondContact O-CB 3.44Å; T400-A403 PolarHBondContact O-N 3.45Å; A403-A405 PolarHBondContact O-N 3.45Å; A403-E406 PolarHBondContact O-N 3.45Å; A403-E406 VanDerWaalsContact O-N 3.14Å
404	C	82.1	Confident	81.6	Confident	15 Å²	15	69.7 Å²	69.7	10%	0.101	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-58.9	-16.7	172.9	59.6	0	0	0	0	113.2	A389 S390 I401 A402 E406 N407 S408 T409 C410	A389-C404 VanDerWaalsContact C-SG 3.57Å; S390-C404 PolarHBondContact N-SG 3.3Å; S390-C404 VanDerWaalsContact N-SG 3.36Å; I401-C404 PolarHBondContact O-SG 2.91Å; A402-C404 PolarHBondContact O-N 3.46Å; C404-E406 VanDerWaalsContact C-N 3.32Å; C404-E406 PolarHBondContact O-N 3.01Å; C404-N407 PolarHBondContact O-N 3.4Å; C404-S408 PolarHBondContact O-N 3.15Å; C404-T409 PolarHBondContact O-N 2.78Å; C404-T409 PolarHBondContact O-OG1 3.28Å; C404-C410 VanDerWaalsContact CA-SG 3.6Å; C404-C410 HydrophobicContact CB-CB 4.06Å; C404-C410 WeakPolarHBondContact CB-SG 3.38Å; C404-C410 VanDerWaalsContact SG-CA 3.5Å; C404-C410 WeakPolarHBondContact SG-CB 3.32Å; C404-C410 CovalentContact SG-SG 2.03Å; C404-C410 PolarHBondContact SG-SG 3.31Å
405	A	78.7	Confident	81.7	Confident	38 Å²	38	65 Å²	65	31%	0.314	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-66.5	-33.2	177.7	0	0	0	0	0	112	N388 A402 A403 N407 S408 C410	N388-A405 HydrophobicContact CB-CB 3.95Å; A402-A405 WeakPolarHBondContact O-CB 3.13Å; A402-A405 PolarHBondContact O-N 2.95Å; A402-A405 VanDerWaalsContact O-N 3.11Å; A403-A405 PolarHBondContact O-N 3.45Å; A405-N407 VanDerWaalsContact C-N 3.3Å; A405-N407 PolarHBondContact O-N 3.37Å; A405-S408 PolarHBondContact O-N 3.02Å; A405-C410 PolarHBondContact N-SG 3.21Å
406	E	79.6	Confident	81.6	Confident	173 Å²	173	66.4 Å²	66.4	81%	0.808	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-36.5	177.9	-65.5	-176.4	177.4	0	0	111.5	A403 C404	A403-E406 PolarHBondContact O-N 3.45Å; A403-E406 VanDerWaalsContact O-N 3.14Å; C404-E406 VanDerWaalsContact C-N 3.32Å; C404-E406 PolarHBondContact O-N 3.01Å
407	N	79.3	Confident	81.7	Confident	125 Å²	125	65.4 Å²	65.4	67%	0.668	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-0.4	178.6	-71.1	-14.4	0	0	0	113.5	C404 A405 T409	C404-N407 PolarHBondContact O-N 3.4Å; A405-N407 VanDerWaalsContact C-N 3.3Å; A405-N407 PolarHBondContact O-N 3.37Å; N407-T409 HydrophobicContact CB-CG2 4.1Å; N407-T409 PolarHBondContact O-N 2.98Å
408	S	73.4	Confident	81.5	Confident	112 Å²	112	60.5 Å²	60.5	78%	0.783	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	37.4	-172.9	-57.8	0	0	0	0	113.6	C404 A405	C404-S408 PolarHBondContact O-N 3.15Å; A405-S408 PolarHBondContact O-N 3.02Å
409	T	81.1	Confident	81.3	Confident	81 Å²	81	55.6 Å²	55.6	50%	0.497	34%	0.337	S	S	.	.			trans	-109.5	7.4	-176.9	45.9	0	0	0	0	113.2	C404 N407 H411	C404-T409 PolarHBondContact O-N 2.78Å; C404-T409 PolarHBondContact O-OG1 3.28Å; N407-T409 HydrophobicContact CB-CG2 4.1Å; N407-T409 PolarHBondContact O-N 2.98Å; T409-H411 PolarHBondContact O-N 3.31Å
410	C	83.4	Confident	81.7	Confident	11 Å²	11	52.5 Å²	52.5	7%	0.074	31%	0.305	C	S	.	.			trans	-70.6	128.5	178.9	-57.4	0	0	0	0	111.2	N388 C404 A405 N416	N388-C410 HydrophobicContact CB-CB 4.43Å; C404-C410 VanDerWaalsContact CA-SG 3.6Å; C404-C410 HydrophobicContact CB-CB 4.06Å; C404-C410 WeakPolarHBondContact CB-SG 3.38Å; C404-C410 VanDerWaalsContact SG-CA 3.5Å; C404-C410 WeakPolarHBondContact SG-CB 3.32Å; C404-C410 CovalentContact SG-SG 2.03Å; C404-C410 PolarHBondContact SG-SG 3.31Å; A405-C410 PolarHBondContact N-SG 3.21Å; C410-N416 WeakPolarHBondContact CB-ND2 3.38Å; C410-N416 WeakPolarHBondContact O-CB 3.19Å; C410-N416 PolarHBondContact O-ND2 3.16Å
411	H	80.8	Confident	82	Confident	146 Å²	146	49.7 Å²	49.7	68%	0.676	29%	0.287	S	S	*	.			trans	-95.4	-19.4	174.1	-67.3	-70.6	0	0	0	113	T409	T409-H411 PolarHBondContact O-N 3.31Å
412	H	84.7	Confident	82.2	Confident	50 Å²	50	49.2 Å²	49.2	23%	0.231	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-120.6	175.4	-176	-64.8	-86	0	0	0	112.5	Q305 A389 N416	Q305-H412 HydrophobicContact CB-CB 4.24Å; Q305-H412 WeakPolarHBondContact O-CB 3.44Å; A389-H412 HydrophobicContact CB-CB 4Å; A389-H412 PolarHBondContact N-O 3.17Å; A389-H412 CarbonylContact O-C 3.54Å; A389-H412 WeakPolarHBondContact O-CA 3.27Å; A389-H412 PolarHBondContact O-N 3.04Å; A389-H412 VanDerWaalsContact O-O 3.13Å; H412-N416 PolarHBondContact O-ND2 3.2Å
413	G	86.4	Confident	82.5	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.01	27%	0.272	C	S	.	.	S	Bend	trans	97.4	173	-174.3	0	0	0	0	0	113.8	Q305 I386 R387 L415 N416 S417	Q305-G413 PolarHBondContact O-N 3.11Å; I386-G413 WeakPolarHBondContact O-CA 3.46Å; R387-G413 CarbonylContact O-C 3.55Å; G413-L415 PolarHBondContact O-N 3.29Å; G413-N416 PolarHBondContact O-N 3.25Å; G413-S417 WeakPolarHBondContact O-CB 3.29Å; G413-S417 PolarHBondContact O-N 3.46Å
414	L	86.7	Confident	82.8	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-30.5	-175.3	-69.6	166.5	0	0	0	114.7	G149 W150 C385 I386 R387 V420	G149-L414 CarbonylContact C-O 3.47Å; W150-L414 WeakPolarHBondContact CA-O 3.44Å; C385-L414 HydrophobicContact CB-CD1 4.33Å; C385-L414 HydrophobicContact CB-CD2 3.98Å; C385-L414 HydrophobicContact CB-CG 3.88Å; C385-L414 WeakPolarHBondContact O-CD1 3.16Å; I386-L414 PolarHBondContact O-N 3.11Å; R387-L414 PolarHBondContact O-N 3.25Å; R387-L414 VanDerWaalsContact O-N 3.17Å; L414-V420 HydrophobicContact CD2-CG1 3.93Å
415	L	84.7	Confident	83.1	Confident	13 Å²	13	45.5 Å²	45.5	7%	0.068	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-34.7	-176.4	-67.2	175.6	0	0	0	113.3	H154 L322 R387 G413	H154-L415 HydrophobicContact CB-CD2 4.44Å; H154-L415 VanDerWaalsContact CE1-CD2 3.41Å; H154-L415 WeakPolarHBondContact CE1-CD2 3.14Å; H154-L415 WeakPolarHBondContact ND1-CD2 3.48Å; L322-L415 HydrophobicContact CD2-CD1 4.09Å; R387-L415 HydrophobicContact CB-CD1 3.93Å; R387-L415 HydrophobicContact CB-CG 4.13Å; R387-L415 PolarHBondContact O-N 3.3Å; G413-L415 PolarHBondContact O-N 3.29Å
416	N	81.8	Confident	83.6	Confident	75 Å²	75	46 Å²	46	40%	0.401	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-19.7	-167.9	-54.5	-55.2	0	0	0	113.5	N388 C410 H412 G413	N388-N416 PolarHBondContact OD1-ND2 3.15Å; C410-N416 WeakPolarHBondContact CB-ND2 3.38Å; C410-N416 WeakPolarHBondContact O-CB 3.19Å; C410-N416 PolarHBondContact O-ND2 3.16Å; H412-N416 PolarHBondContact O-ND2 3.2Å; G413-N416 PolarHBondContact O-N 3.25Å
417	S	82.6	Confident	84	Confident	15 Å²	15	43.4 Å²	43.4	11%	0.105	24%	0.24	C	C	.	.			trans	-110.4	129.9	179.2	-171.4	0	0	0	0	111.3	G413 D419 V420	G413-S417 WeakPolarHBondContact O-CB 3.29Å; G413-S417 PolarHBondContact O-N 3.46Å; S417-D419 VanDerWaalsContact C-N 3.35Å; S417-D419 PolarHBondContact OG-N 2.85Å; S417-V420 WeakPolarHBondContact O-CG2 3.46Å
418	N	78.7	Confident	84.4	Confident	39 Å²	39	39.3 Å²	39.3	21%	0.209	22%	0.222	C	C	.	.	S	Bend	trans	-82.7	-16.6	173.7	-66.3	-26.1	0	0	0	112.1	L146 E229 V420	L146-N418 WeakPolarHBondContact CA-O 3.35Å; L146-N418 WeakPolarHBondContact O-CB 3.37Å; E229-N418 PolarHBondContact OE1-ND2 3.5Å; N418-V420 PolarHBondContact O-N 3.26Å
419	D	80.8	Confident	85.1	Confident	18 Å²	18	37.7 Å²	37.7	10%	0.096	21%	0.208	C	C	.	.			trans	-96.7	19	-171.5	-62.4	-29.2	0	0	0	112.7	S233 S417 M421 Q422 L423	S233-D419 PolarHBondContact OG-OD2 3.47Å; S417-D419 VanDerWaalsContact C-N 3.35Å; S417-D419 PolarHBondContact OG-N 2.85Å; D419-M421 VanDerWaalsContact C-N 3.33Å; D419-M421 PolarHBondContact O-N 3.3Å; D419-Q422 HydrophobicContact CB-CB 4.35Å; D419-Q422 WeakPolarHBondContact O-CA 3.28Å; D419-Q422 VanDerWaalsContact O-CB 3.22Å; D419-Q422 WeakPolarHBondContact O-CB 3.47Å; D419-Q422 PolarHBondContact O-N 3.07Å; D419-L423 PolarHBondContact O-N 3.3Å; D419-L423 VanDerWaalsContact O-N 3.1Å
420	V	86.1	Confident	85.6	Confident	3 Å²	3	36.2 Å²	36.2	2%	0.018	20%	0.197	C	C	.	.	H	α-helix	trans	-57.1	-43.6	-174.7	176.5	0	0	0	0	112.4	C385 L414 S417 N418 Q422 L423 E424	C385-V420 HydrophobicContact CB-CG1 3.92Å; L414-V420 HydrophobicContact CD2-CG1 3.93Å; S417-V420 WeakPolarHBondContact O-CG2 3.46Å; N418-V420 PolarHBondContact O-N 3.26Å; V420-Q422 PolarHBondContact O-N 3.33Å; V420-L423 PolarHBondContact O-N 3.07Å; V420-L423 VanDerWaalsContact O-N 3.09Å; V420-E424 HydrophobicContact CG1-CG 4.3Å; V420-E424 WeakPolarHBondContact O-CG 3.28Å; V420-E424 PolarHBondContact O-N 2.87Å
421	M	88.1	Confident	85.8	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-64.1	-27.9	177.5	-72.8	-175.3	68.7	0	0	112.9	Y145 L148 Y287 F290 T381 D419 G425	Y145-M421 HydrophobicContact CD1-CB 4.15Å; Y145-M421 HydrophobicContact CD1-CE 4.09Å; Y145-M421 HydrophobicContact CD1-SD 4.4Å; Y145-M421 HydrophobicContact CE1-CE 4.26Å; L148-M421 HydrophobicContact CB-SD 4.1Å; L148-M421 HydrophobicContact CD2-SD 4.18Å; Y287-M421 HydrophobicContact CE2-CE 4.15Å; F290-M421 HydrophobicContact CD1-CE 3.76Å; F290-M421 HydrophobicContact CD2-CB 4.13Å; F290-M421 HydrophobicContact CD2-CE 4.02Å; F290-M421 HydrophobicContact CD2-CG 4.28Å; F290-M421 HydrophobicContact CE1-CE 3.74Å; F290-M421 HydrophobicContact CE2-CB 4.23Å; F290-M421 HydrophobicContact CE2-CE 3.98Å; F290-M421 HydrophobicContact CE2-CG 3.92Å; F290-M421 HydrophobicContact CG-CE 3.91Å; F290-M421 HydrophobicContact CZ-CE 3.86Å; F290-M421 HydrophobicContact CZ-CG 4.4Å; T381-M421 HydrophobicContact CG2-CG 3.48Å; T381-M421 VanDerWaalsContact CG2-CG 3.48Å; T381-M421 HydrophobicContact CG2-SD 4.24Å; D419-M421 VanDerWaalsContact C-N 3.33Å; D419-M421 PolarHBondContact O-N 3.3Å; M421-G425 PolarHBondContact O-N 3.28Å
422	Q	87.4	Confident	86.2	Confident	16 Å²	16	29.2 Å²	29.2	8%	0.075	16%	0.164	C	C	.	.	H	α-helix	trans	-71.4	-38.6	174	-176.2	-166.3	-3	0	0	111.4	D419 V420 G425 S428 V431 T432 I435	D419-Q422 HydrophobicContact CB-CB 4.35Å; D419-Q422 WeakPolarHBondContact O-CA 3.28Å; D419-Q422 VanDerWaalsContact O-CB 3.22Å; D419-Q422 WeakPolarHBondContact O-CB 3.47Å; D419-Q422 PolarHBondContact O-N 3.07Å; V420-Q422 PolarHBondContact O-N 3.33Å; Q422-G425 PolarHBondContact O-N 3.07Å; Q422-S428 PolarHBondContact O-OG 3.26Å; Q422-S428 VanDerWaalsContact O-OG 3.13Å; Q422-V431 HydrophobicContact CB-CB 4.46Å; Q422-V431 HydrophobicContact CB-CG1 4.11Å; Q422-V431 HydrophobicContact CG-CB 4.34Å; Q422-V431 HydrophobicContact CG-CG1 4.48Å; Q422-T432 PolarHBondContact NE2-OG1 3.01Å; Q422-I435 HydrophobicContact CB-CD1 4.4Å
423	L	86	Confident	86.5	Confident	35 Å²	35	28.6 Å²	28.6	18%	0.183	17%	0.168	C	C	.	.	H	α-helix	trans	-70.5	-34.8	178	-62.7	176.4	0	0	0	111.9	Q302 Q305 I307 D419 V420 G425	Q302-L423 PolarHBondContact NE2-O 3Å; Q305-L423 HydrophobicContact CB-CD1 4.3Å; I307-L423 HydrophobicContact CD1-CB 3.59Å; I307-L423 VanDerWaalsContact CD1-O 3.22Å; I307-L423 WeakPolarHBondContact CD1-O 3.47Å; D419-L423 PolarHBondContact O-N 3.3Å; D419-L423 VanDerWaalsContact O-N 3.1Å; V420-L423 PolarHBondContact O-N 3.07Å; V420-L423 VanDerWaalsContact O-N 3.09Å; L423-G425 VanDerWaalsContact C-N 3.3Å
424	E	86.9	Confident	86.8	Confident	3 Å²	3	28.5 Å²	28.5	1%	0.014	17%	0.167	C	C	.	.	H	α-helix	trans	-77	-15.7	177.8	-70.7	179.8	149.9	0	0	113.5	F290 G293 T294 I307 T381 T384 C385 V420	F290-E424 HydrophobicContact CD2-CB 4.25Å; F290-E424 HydrophobicContact CE2-CB 4.15Å; F290-E424 WeakPolarHBondContact CE2-OE2 3.28Å; G293-E424 CarbonylContact C-O 3.58Å; G293-E424 WeakPolarHBondContact CA-O 3.48Å; T294-E424 HydrophobicContact CG2-CB 4.36Å; I307-E424 HydrophobicContact CD1-CB 4.45Å; I307-E424 HydrophobicContact CD1-CG 3.78Å; I307-E424 HydrophobicContact CG1-CG 3.96Å; I307-E424 HydrophobicContact CG2-CG 4.45Å; T381-E424 WeakPolarHBondContact CA-OE2 3.27Å; T381-E424 VanDerWaalsContact CG2-OE2 3.25Å; T381-E424 WeakPolarHBondContact CG2-OE2 2.96Å; T384-E424 VanDerWaalsContact OG1-CD 3.32Å; T384-E424 PolarHBondContact OG1-OE1 3.06Å; C385-E424 WeakPolarHBondContact CB-OE1 3.4Å; V420-E424 HydrophobicContact CG1-CG 4.3Å; V420-E424 WeakPolarHBondContact O-CG 3.28Å; V420-E424 PolarHBondContact O-N 2.87Å
425	G	88.4	Confident	86.9	Confident	1 Å²	1	28.6 Å²	28.6	1%	0.01	17%	0.168	C	C	.	.	S	Bend	trans	-68.7	143	179.3	0	0	0	0	0	113.4	M421 Q422 L423 F427	M421-G425 PolarHBondContact O-N 3.28Å; Q422-G425 PolarHBondContact O-N 3.07Å; L423-G425 VanDerWaalsContact C-N 3.3Å; G425-F427 PolarHBondContact O-N 3.44Å; G425-F427 VanDerWaalsContact O-N 3.15Å
426	A	88.3	Confident	87.2	Confident	49 Å²	49	30.7 Å²	30.7	41%	0.405	18%	0.176	S	C	.	.	S	Bend	trans	-60.1	-27.9	177.3	0	0	0	0	0	112.7	T289 V292 G293 L296	T289-A426 HydrophobicContact CG2-CB 4.13Å; T289-A426 PolarHBondContact O-N 2.88Å; V292-A426 HydrophobicContact CG1-CB 4.36Å; G293-A426 VanDerWaalsContact CA-N 3.33Å; L296-A426 HydrophobicContact CD1-CB 3.66Å
427	F	89.1	Confident	87.7	Confident	118 Å²	118	27.2 Å²	27.2	52%	0.518	16%	0.158	S	C	.	.	S	Bend	trans	-142.6	95.4	177.5	-175.5	-119.1	0	0	0	110.2	T289 G425 P429 L430 V431	T289-F427 HydrophobicContact CG2-CB 3.97Å; G425-F427 PolarHBondContact O-N 3.44Å; G425-F427 VanDerWaalsContact O-N 3.15Å; F427-P429 VanDerWaalsContact C-CD 3.46Å; F427-P429 HydrophobicContact CD2-CG 4.43Å; F427-P429 HydrophobicContact CE1-CB 3.89Å; F427-P429 HydrophobicContact CE1-CG 4.12Å; F427-P429 HydrophobicContact CE2-CG 3.87Å; F427-P429 HydrophobicContact CZ-CB 3.88Å; F427-P429 HydrophobicContact CZ-CG 3.68Å; F427-L430 HydrophobicContact CD1-CB 3.49Å; F427-L430 VanDerWaalsContact CD1-CB 3.49Å; F427-L430 HydrophobicContact CD1-CD2 4.32Å; F427-L430 HydrophobicContact CE1-CB 4.07Å; F427-L430 HydrophobicContact CG-CB 4.49Å; F427-L430 PolarHBondContact O-N 3.07Å; F427-L430 VanDerWaalsContact O-N 3.12Å; F427-V431 PolarHBondContact O-N 3.06Å
428	S	86.8	Confident	88.1	Confident	39 Å²	39	26.5 Å²	26.5	27%	0.273	15%	0.153	S	C	.	.	H	α-helix	trans	-54	-40.7	-173.1	-51.9	0	0	0	0	115.1	Q422 L430 V431 T432	Q422-S428 PolarHBondContact O-OG 3.26Å; Q422-S428 VanDerWaalsContact O-OG 3.13Å; S428-L430 PolarHBondContact O-N 3.48Å; S428-V431 PolarHBondContact O-N 3.4Å; S428-T432 PolarHBondContact O-N 3.26Å; S428-T432 PolarHBondContact O-OG1 2.81Å
429	P	89.3	Confident	88.7	Confident	77 Å²	77	24.7 Å²	24.7	50%	0.5	14%	0.143	S	C	.	.	H	α-helix	trans	-60.4	-32	178.9	-25.5	35.6	0	0	0	114	F427 T432 A433	F427-P429 VanDerWaalsContact C-CD 3.46Å; F427-P429 HydrophobicContact CD2-CG 4.43Å; F427-P429 HydrophobicContact CE1-CB 3.89Å; F427-P429 HydrophobicContact CE1-CG 4.12Å; F427-P429 HydrophobicContact CE2-CG 3.87Å; F427-P429 HydrophobicContact CZ-CB 3.88Å; F427-P429 HydrophobicContact CZ-CG 3.68Å; P429-T432 WeakPolarHBondContact O-CB 3.27Å; P429-A433 PolarHBondContact O-N 2.87Å
430	L	90.5	Very high	89.2	Confident	50 Å²	50	25.9 Å²	25.9	26%	0.262	15%	0.149	S	C	.	.	H	α-helix	trans	-78.1	-30.8	177.1	-176.2	57.4	0	0	0	111.8	I285 S286 T289 F427 S428 A433 G434	I285-L430 HydrophobicContact CG2-CD1 4.37Å; I285-L430 HydrophobicContact CG2-CD2 3.73Å; I285-L430 HydrophobicContact CG2-CG 4.3Å; S286-L430 WeakPolarHBondContact CB-O 3.36Å; S286-L430 PolarHBondContact OG-O 3.37Å; T289-L430 WeakPolarHBondContact OG1-CD2 3.43Å; F427-L430 HydrophobicContact CD1-CB 3.49Å; F427-L430 VanDerWaalsContact CD1-CB 3.49Å; F427-L430 HydrophobicContact CD1-CD2 4.32Å; F427-L430 HydrophobicContact CE1-CB 4.07Å; F427-L430 HydrophobicContact CG-CB 4.49Å; F427-L430 PolarHBondContact O-N 3.07Å; F427-L430 VanDerWaalsContact O-N 3.12Å; S428-L430 PolarHBondContact O-N 3.48Å; L430-A433 PolarHBondContact O-N 3.09Å; L430-G434 PolarHBondContact O-N 3.37Å
431	V	88.6	Confident	89.4	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64.8	-45.5	170	-175.4	0	0	0	0	110.6	Y145 S286 T289 Q422 F427 S428 A433 G434 I435	Y145-V431 HydrophobicContact CD1-CG1 3.88Å; Y145-V431 HydrophobicContact CE1-CG1 3.76Å; S286-V431 WeakPolarHBondContact OG-CA 3.47Å; S286-V431 PolarHBondContact OG-O 3.2Å; T289-V431 HydrophobicContact CG2-CG2 4.13Å; Q422-V431 HydrophobicContact CB-CB 4.46Å; Q422-V431 HydrophobicContact CB-CG1 4.11Å; Q422-V431 HydrophobicContact CG-CB 4.34Å; Q422-V431 HydrophobicContact CG-CG1 4.48Å; F427-V431 PolarHBondContact O-N 3.06Å; S428-V431 PolarHBondContact O-N 3.4Å; V431-A433 VanDerWaalsContact C-N 3.32Å; V431-A433 PolarHBondContact O-N 3.14Å; V431-G434 CarbonylContact O-C 3.47Å; V431-G434 VanDerWaalsContact O-CA 3.28Å; V431-G434 WeakPolarHBondContact O-CA 3.47Å; V431-G434 PolarHBondContact O-N 2.91Å; V431-I435 WeakPolarHBondContact O-CG1 3.43Å; V431-I435 PolarHBondContact O-N 3.33Å
432	T	89.1	Confident	89.5	Confident	10 Å²	10	25.7 Å²	25.7	6%	0.061	15%	0.148	C	C	.	.	H	α-helix	trans	-55.3	-45	172.1	-50.6	0	0	0	0	112.6	F234 Q422 S428 P429 G434 I435 F436	F234-T432 HydrophobicContact CE2-CG2 3.33Å; F234-T432 HydrophobicContact CZ-CG2 3.42Å; F234-T432 VanDerWaalsContact CZ-CG2 3.42Å; Q422-T432 PolarHBondContact NE2-OG1 3.01Å; S428-T432 PolarHBondContact O-N 3.26Å; S428-T432 PolarHBondContact O-OG1 2.81Å; P429-T432 WeakPolarHBondContact O-CB 3.27Å; T432-G434 PolarHBondContact O-N 2.53Å; T432-I435 WeakPolarHBondContact O-CB 3.34Å; T432-I435 PolarHBondContact O-N 3.42Å; T432-F436 HydrophobicContact CG2-CD2 4.34Å; T432-F436 HydrophobicContact CG2-CE1 4.36Å; T432-F436 HydrophobicContact CG2-CE2 3.95Å; T432-F436 HydrophobicContact CG2-CZ 3.97Å; T432-F436 PolarHBondContact O-N 2.77Å
433	A	90.9	Very high	89.7	Confident	37 Å²	37	24.9 Å²	24.9	31%	0.306	15%	0.145	S	C	.	.	H	α-helix	trans	-58.9	-35.5	175	0	0	0	0	0	111.5	I282 P429 L430 V431 A437	I282-A433 HydrophobicContact CG2-CB 4.06Å; P429-A433 PolarHBondContact O-N 2.87Å; L430-A433 PolarHBondContact O-N 3.09Å; V431-A433 VanDerWaalsContact C-N 3.32Å; V431-A433 PolarHBondContact O-N 3.14Å; A433-A437 WeakPolarHBondContact O-CB 3.27Å; A433-A437 PolarHBondContact O-N 2.85Å
434	G	91.4	Very high	89.9	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-66.2	-40.6	171	0	0	0	0	0	114.1	L430 V431 T432 A437 T438	L430-G434 PolarHBondContact O-N 3.37Å; V431-G434 CarbonylContact O-C 3.47Å; V431-G434 VanDerWaalsContact O-CA 3.28Å; V431-G434 WeakPolarHBondContact O-CA 3.47Å; V431-G434 PolarHBondContact O-N 2.91Å; T432-G434 PolarHBondContact O-N 2.53Å; G434-A437 PolarHBondContact O-N 3.36Å; G434-T438 WeakPolarHBondContact O-CB 3.42Å; G434-T438 PolarHBondContact O-N 3.49Å; G434-T438 PolarHBondContact O-OG1 3.22Å
435	I	89.5	Confident	90	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.01	14%	0.136	C	C	.	.	H	α-helix	trans	-58.7	-52.7	174.1	-59.2	175.4	0	0	0	109.5	Y145 L146 T230 Q422 V431 T432 A437 T438 C439	Y145-I435 HydrophobicContact CD1-CG1 4.11Å; Y145-I435 HydrophobicContact CD2-CG1 4.04Å; Y145-I435 HydrophobicContact CG-CG1 3.66Å; L146-I435 HydrophobicContact CD2-CD1 4.41Å; L146-I435 HydrophobicContact CD2-CG2 4.22Å; L146-I435 HydrophobicContact CG-CG2 4.34Å; T230-I435 HydrophobicContact CG2-CG2 4.12Å; T230-I435 WeakPolarHBondContact OG1-CG2 3.46Å; Q422-I435 HydrophobicContact CB-CD1 4.4Å; V431-I435 WeakPolarHBondContact O-CG1 3.43Å; V431-I435 PolarHBondContact O-N 3.33Å; T432-I435 WeakPolarHBondContact O-CB 3.34Å; T432-I435 PolarHBondContact O-N 3.42Å; I435-A437 VanDerWaalsContact C-N 3.34Å; I435-A437 PolarHBondContact O-N 2.89Å; I435-T438 PolarHBondContact O-N 3.44Å; I435-C439 PolarHBondContact O-N 3.01Å; I435-C439 PolarHBondContact O-SG 3.1Å; I435-C439 VanDerWaalsContact O-SG 3.33Å
436	F	91.6	Very high	90	Very high	56 Å²	56	23.3 Å²	23.3	25%	0.246	14%	0.136	C	C	.	.	H	α-helix	trans	-59	-45.8	177.2	-69.2	-14.6	0	0	0	112	F227 T230 I231 F234 T432 T438 C439 L440	F227-F436 HydrophobicContact CD2-CB 4.17Å; F227-F436 AromaticContact CD2-CD1 3.53Å; F227-F436 HydrophobicContact CD2-CD1 3.53Å; F227-F436 HydrophobicContact CD2-CE1 4.15Å; F227-F436 HydrophobicContact CD2-CG 4.03Å; F227-F436 HydrophobicContact CE2-CB 3.89Å; F227-F436 AromaticContact CE2-CD1 3.49Å; F227-F436 HydrophobicContact CE2-CD1 3.49Å; F227-F436 VanDerWaalsContact CE2-CD1 3.49Å; F227-F436 HydrophobicContact CE2-CD2 4.27Å; F227-F436 HydrophobicContact CE2-CE1 4.01Å; F227-F436 AromaticContact CE2-CG 3.63Å; F227-F436 HydrophobicContact CE2-CG 3.63Å; T230-F436 HydrophobicContact CG2-CD1 4.22Å; T230-F436 HydrophobicContact CG2-CE1 3.53Å; T230-F436 HydrophobicContact CG2-CZ 4.26Å; I231-F436 HydrophobicContact CG1-CE1 3.95Å; I231-F436 HydrophobicContact CG1-CZ 3.9Å; F234-F436 HydrophobicContact CD2-CZ 4.38Å; F234-F436 HydrophobicContact CE2-CZ 4.19Å; T432-F436 HydrophobicContact CG2-CD2 4.34Å; T432-F436 HydrophobicContact CG2-CE1 4.36Å; T432-F436 HydrophobicContact CG2-CE2 3.95Å; T432-F436 HydrophobicContact CG2-CZ 3.97Å; T432-F436 PolarHBondContact O-N 2.77Å; F436-T438 VanDerWaalsContact C-N 3.32Å; F436-T438 PolarHBondContact O-N 3.06Å; F436-C439 PolarHBondContact O-N 3.43Å; F436-L440 VanDerWaalsContact O-CB 3.29Å; F436-L440 WeakPolarHBondContact O-CB 3.24Å; F436-L440 WeakPolarHBondContact O-CG 3.43Å; F436-L440 PolarHBondContact O-N 3.25Å
437	A	92	Very high	90.1	Very high	3 Å²	3	21 Å²	21	3%	0.025	12%	0.117	C	C	.	.	H	α-helix	trans	-61.1	-41	179.4	0	0	0	0	0	112.2	L279 I282 I283 A433 G434 I435 S441	L279-A437 HydrophobicContact CB-CB 4.16Å; L279-A437 HydrophobicContact CD2-CB 3.77Å; L279-A437 HydrophobicContact CG-CB 4.47Å; I282-A437 HydrophobicContact CB-CB 4.19Å; I282-A437 HydrophobicContact CG2-CB 3.9Å; I283-A437 HydrophobicContact CD1-CB 4.07Å; I283-A437 HydrophobicContact CG1-CB 3.67Å; A433-A437 WeakPolarHBondContact O-CB 3.27Å; A433-A437 PolarHBondContact O-N 2.85Å; G434-A437 PolarHBondContact O-N 3.36Å; I435-A437 VanDerWaalsContact C-N 3.34Å; I435-A437 PolarHBondContact O-N 2.89Å; A437-S441 WeakPolarHBondContact O-CB 3.3Å; A437-S441 PolarHBondContact O-N 3.04Å
438	T	91	Very high	89.9	Confident	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-71.1	-45.9	-178.2	-42.7	0	0	0	0	111.3	L140 G141 I283 G434 I435 F436 S441 S442	L140-T438 HydrophobicContact CB-CG2 3.76Å; G141-T438 VanDerWaalsContact C-CG2 3.46Å; G141-T438 VanDerWaalsContact CA-CG2 3.49Å; G141-T438 WeakPolarHBondContact O-CG2 3.41Å; I283-T438 HydrophobicContact CD1-CG2 4.23Å; I283-T438 WeakPolarHBondContact CD1-OG1 3.07Å; I283-T438 WeakPolarHBondContact CG1-OG1 3.12Å; G434-T438 WeakPolarHBondContact O-CB 3.42Å; G434-T438 PolarHBondContact O-N 3.49Å; G434-T438 PolarHBondContact O-OG1 3.22Å; I435-T438 PolarHBondContact O-N 3.44Å; F436-T438 VanDerWaalsContact C-N 3.32Å; F436-T438 PolarHBondContact O-N 3.06Å; T438-S441 PolarHBondContact O-N 3.45Å; T438-S442 PolarHBondContact O-N 3.26Å; T438-S442 VanDerWaalsContact O-N 3.09Å; T438-S442 PolarHBondContact O-OG 2.86Å
439	C	91.7	Very high	89.9	Confident	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-60.6	-50.4	176.7	-66.6	0	0	0	0	111.7	A142 N223 F227 I435 F436 S441 S443	A142-C439 VanDerWaalsContact CB-SG 3.55Å; N223-C439 WeakPolarHBondContact O-CB 3.38Å; F227-C439 HydrophobicContact CB-CB 3.8Å; I435-C439 PolarHBondContact O-N 3.01Å; I435-C439 PolarHBondContact O-SG 3.1Å; I435-C439 VanDerWaalsContact O-SG 3.33Å; F436-C439 PolarHBondContact O-N 3.43Å; C439-S441 VanDerWaalsContact C-N 3.34Å; C439-S441 PolarHBondContact O-N 2.86Å; C439-S443 WeakPolarHBondContact O-CB 3.4Å; C439-S443 PolarHBondContact O-N 3.1Å; C439-S443 VanDerWaalsContact O-N 3.16Å; C439-S443 PolarHBondContact O-OG 3.16Å; C439-S443 VanDerWaalsContact O-OG 3.1Å
440	L	91.3	Very high	89.9	Confident	43 Å²	43	10.1 Å²	10.1	23%	0.225	6%	0.057	C	C	.	.	H	α-helix	trans	-65.6	-37.4	-179.6	-66.5	173.6	0	0	0	111.8	F227 T257 L261 F436 L444	F227-L440 HydrophobicContact CD2-CD1 4.35Å; F227-L440 HydrophobicContact CD2-CD2 4.05Å; F227-L440 HydrophobicContact CD2-CG 3.94Å; F227-L440 HydrophobicContact CE2-CD1 3.86Å; F227-L440 HydrophobicContact CE2-CD2 4.07Å; F227-L440 HydrophobicContact CE2-CG 3.96Å; F227-L440 HydrophobicContact CG-CD2 4.28Å; F227-L440 HydrophobicContact CZ-CD1 4.41Å; F227-L440 HydrophobicContact CZ-CD2 4.29Å; T257-L440 HydrophobicContact CG2-CD2 3.81Å; L261-L440 HydrophobicContact CD1-CD2 4.23Å; L261-L440 HydrophobicContact CD2-CD2 4.16Å; L261-L440 HydrophobicContact CG-CD2 4.44Å; F436-L440 VanDerWaalsContact O-CB 3.29Å; F436-L440 WeakPolarHBondContact O-CB 3.24Å; F436-L440 WeakPolarHBondContact O-CG 3.43Å; F436-L440 PolarHBondContact O-N 3.25Å; L440-L444 VanDerWaalsContact O-CB 3.23Å; L440-L444 WeakPolarHBondContact O-CB 3.32Å; L440-L444 PolarHBondContact O-N 3.02Å
441	S	89.7	Confident	89.9	Confident	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-64.1	-50.9	178.6	-171.6	0	0	0	0	112	L137 A437 T438 C439 S443 L444 T445	L137-S441 WeakPolarHBondContact CD1-OG 3.32Å; A437-S441 WeakPolarHBondContact O-CB 3.3Å; A437-S441 PolarHBondContact O-N 3.04Å; T438-S441 PolarHBondContact O-N 3.45Å; C439-S441 VanDerWaalsContact C-N 3.34Å; C439-S441 PolarHBondContact O-N 2.86Å; S441-S443 VanDerWaalsContact C-N 3.33Å; S441-S443 PolarHBondContact O-N 3.36Å; S441-L444 PolarHBondContact O-N 2.97Å; S441-T445 WeakPolarHBondContact O-CB 3.3Å; S441-T445 PolarHBondContact O-N 3.46Å; S441-T445 PolarHBondContact O-OG1 2.97Å
442	S	91	Very high	89.8	Confident	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-63.3	-40.1	-179.3	-62.3	0	0	0	0	111.9	L137 N138 T438 T445 C446	L137-S442 PolarHBondContact O-OG 3.37Å; L137-S442 VanDerWaalsContact O-OG 3.14Å; N138-S442 WeakPolarHBondContact OD1-CB 3.45Å; T438-S442 PolarHBondContact O-N 3.26Å; T438-S442 VanDerWaalsContact O-N 3.09Å; T438-S442 PolarHBondContact O-OG 2.86Å; S442-T445 PolarHBondContact O-N 2.74Å; S442-C446 PolarHBondContact O-N 2.95Å; S442-C446 VanDerWaalsContact O-N 3.09Å
443	S	91.6	Very high	89.8	Confident	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-61.8	-43.7	173.9	-63	0	0	0	0	112.1	A220 N223 V224 C439 S441 C446 L447	A220-S443 PolarHBondContact O-OG 3.1Å; N223-S443 VanDerWaalsContact CB-OG 3.22Å; N223-S443 WeakPolarHBondContact CB-OG 3.36Å; V224-S443 VanDerWaalsContact CG2-OG 3.32Å; V224-S443 WeakPolarHBondContact CG2-OG 3.44Å; V224-S443 PolarHBondContact N-OG 2.71Å; C439-S443 WeakPolarHBondContact O-CB 3.4Å; C439-S443 PolarHBondContact O-N 3.1Å; C439-S443 VanDerWaalsContact O-N 3.16Å; C439-S443 PolarHBondContact O-OG 3.16Å; C439-S443 VanDerWaalsContact O-OG 3.1Å; S441-S443 VanDerWaalsContact C-N 3.33Å; S441-S443 PolarHBondContact O-N 3.36Å; S443-C446 PolarHBondContact O-N 2.83Å; S443-L447 WeakPolarHBondContact O-CB 3.11Å; S443-L447 VanDerWaalsContact O-CG 3.23Å; S443-L447 WeakPolarHBondContact O-CG 3.5Å; S443-L447 PolarHBondContact O-N 3.37Å
444	L	89.5	Confident	89.8	Confident	3 Å²	3	7.4 Å²	7.4	2%	0.016	4%	0.035	C	C	.	.	H	α-helix	trans	-63.9	-45.4	177.6	-172.7	64.6	0	0	0	111.8	L264 V265 E272 T275 L440 S441 C446 L447 V448	L264-L444 HydrophobicContact CD2-CD1 3.66Å; L264-L444 HydrophobicContact CD2-CD2 4.27Å; V265-L444 HydrophobicContact CG2-CD1 3.36Å; E272-L444 HydrophobicContact CB-CD2 4.17Å; E272-L444 HydrophobicContact CB-CG 4.38Å; E272-L444 HydrophobicContact CG-CD1 4.43Å; E272-L444 HydrophobicContact CG-CD2 3.77Å; E272-L444 HydrophobicContact CG-CG 3.71Å; T275-L444 HydrophobicContact CG2-CD2 4.2Å; L440-L444 VanDerWaalsContact O-CB 3.23Å; L440-L444 WeakPolarHBondContact O-CB 3.32Å; L440-L444 PolarHBondContact O-N 3.02Å; S441-L444 PolarHBondContact O-N 2.97Å; L444-C446 PolarHBondContact O-N 3.25Å; L444-L447 PolarHBondContact O-N 3.06Å; L444-V448 PolarHBondContact O-N 2.94Å
445	T	88.1	Confident	89.7	Confident	1 Å²	1	8 Å²	8	1%	0.006	4%	0.038	C	C	.	.	H	α-helix	trans	-55.5	-47.7	177.1	-71.5	0	0	0	0	112.1	R134 N138 E276 A344 S441 S442 V448 S449	R134-T445 HydrophobicContact CG-CG2 3.86Å; R134-T445 PolarHBondContact NH2-O 3.1Å; N138-T445 HydrophobicContact CB-CG2 4.29Å; E276-T445 PolarHBondContact OE1-OG1 3.32Å; A344-T445 HydrophobicContact CB-CG2 3.85Å; S441-T445 WeakPolarHBondContact O-CB 3.3Å; S441-T445 PolarHBondContact O-N 3.46Å; S441-T445 PolarHBondContact O-OG1 2.97Å; S442-T445 PolarHBondContact O-N 2.74Å; T445-V448 PolarHBondContact O-N 3.28Å; T445-S449 PolarHBondContact O-N 3.38Å
446	C	90.2	Very high	89.5	Confident	1 Å²	1	8.5 Å²	8.5	1%	0.007	4%	0.042	C	C	.	.	H	α-helix	trans	-74.4	-30.8	-179.6	-77.3	0	0	0	0	113.2	D216 A220 S442 S443 L444 V448 S449 A450	D216-C446 HydrophobicContact CB-CB 4.35Å; D216-C446 WeakPolarHBondContact O-CB 3.25Å; A220-C446 HydrophobicContact CB-CB 3.79Å; S442-C446 PolarHBondContact O-N 2.95Å; S442-C446 VanDerWaalsContact O-N 3.09Å; S443-C446 PolarHBondContact O-N 2.83Å; L444-C446 PolarHBondContact O-N 3.25Å; C446-V448 PolarHBondContact O-N 3.01Å; C446-S449 PolarHBondContact O-N 2.79Å; C446-A450 WeakPolarHBondContact O-CB 3.28Å; C446-A450 PolarHBondContact O-N 3.2Å
447	L	89.1	Confident	89.3	Confident	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-65.8	-16.6	172	-77.7	171.7	0	0	0	113.2	A220 L261 V265 S443 L444 P451 V486	A220-L447 HydrophobicContact CB-CG 4.36Å; L261-L447 HydrophobicContact CB-CD1 3.65Å; L261-L447 HydrophobicContact CD1-CD1 4.31Å; V265-L447 HydrophobicContact CG2-CB 4.16Å; S443-L447 WeakPolarHBondContact O-CB 3.11Å; S443-L447 VanDerWaalsContact O-CG 3.23Å; S443-L447 WeakPolarHBondContact O-CG 3.5Å; S443-L447 PolarHBondContact O-N 3.37Å; L444-L447 PolarHBondContact O-N 3.06Å; L447-P451 WeakPolarHBondContact O-CD 3.24Å; L447-P451 WeakPolarHBondContact O-CG 3.21Å; L447-V486 HydrophobicContact CD2-CG1 3.98Å
448	V	85.1	Confident	89.1	Confident	5 Å²	5	5.8 Å²	5.8	3%	0.03	3%	0.03	C	C	.	.	H	α-helix	trans	-97.8	-38.4	171.8	175.8	0	0	0	0	112.2	V265 V269 E272 L444 T445 C446 R452	V265-V448 HydrophobicContact CG1-CG2 4.2Å; V265-V448 HydrophobicContact CG2-CG2 4.36Å; V269-V448 HydrophobicContact CG1-CG1 3.94Å; V269-V448 HydrophobicContact CG1-CG2 4.3Å; E272-V448 HydrophobicContact CG-CG2 4.05Å; E272-V448 WeakPolarHBondContact OE1-CG2 3.45Å; L444-V448 PolarHBondContact O-N 2.94Å; T445-V448 PolarHBondContact O-N 3.28Å; C446-V448 PolarHBondContact O-N 3.01Å; V448-R452 WeakPolarHBondContact O-CG 3.48Å
449	S	86.1	Confident	88.7	Confident	1 Å²	1	11 Å²	11	1%	0.007	5%	0.05	C	C	.	.	H	α-helix	trans	-67.1	-51.1	-179.8	179	0	0	0	0	113	D216 T445 C446 R452 T453	D216-S449 VanDerWaalsContact OD2-CB 3.27Å; D216-S449 WeakPolarHBondContact OD2-CB 3.46Å; D216-S449 PolarHBondContact OD2-OG 3.41Å; T445-S449 PolarHBondContact O-N 3.38Å; C446-S449 PolarHBondContact O-N 2.79Å; S449-R452 PolarHBondContact O-N 3.07Å; S449-T453 PolarHBondContact O-N 3.16Å; S449-T453 VanDerWaalsContact O-N 3.11Å; S449-T453 PolarHBondContact O-OG1 2.83Å
450	A	90.2	Very high	88.3	Confident	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-59.8	-46.7	-175.4	0	0	0	0	0	112.6	D216 C446 R452 T453 F454 V486	D216-A450 HydrophobicContact CB-CB 3.61Å; D216-A450 PolarHBondContact OD2-N 2.93Å; C446-A450 WeakPolarHBondContact O-CB 3.28Å; C446-A450 PolarHBondContact O-N 3.2Å; A450-R452 VanDerWaalsContact C-N 3.28Å; A450-R452 PolarHBondContact O-N 3.17Å; A450-T453 WeakPolarHBondContact O-CB 3.44Å; A450-T453 PolarHBondContact O-N 2.85Å; A450-F454 WeakPolarHBondContact O-CD2 3.36Å; A450-F454 PolarHBondContact O-N 3.07Å; A450-V486 HydrophobicContact CB-CB 4.38Å; A450-V486 HydrophobicContact CB-CG1 3.83Å; A450-V486 HydrophobicContact CB-CG2 3.57Å
451	P	90.5	Very high	87.8	Confident	1 Å²	1	18.6 Å²	18.6	1%	0.006	8%	0.077	C	C	.	.	H	α-helix	trans	-60.7	-35.2	178.8	-30.4	42	0	0	0	113.9	L447 F454 Q455 P479 A482 T483 V486	L447-P451 WeakPolarHBondContact O-CD 3.24Å; L447-P451 WeakPolarHBondContact O-CG 3.21Å; P451-F454 PolarHBondContact O-N 3.21Å; P451-Q455 VanDerWaalsContact O-CB 3.3Å; P451-Q455 WeakPolarHBondContact O-CB 3.16Å; P451-Q455 PolarHBondContact O-N 2.94Å; P451-P479 HydrophobicContact CB-CB 4.06Å; P451-P479 HydrophobicContact CB-CG 3.52Å; P451-A482 HydrophobicContact CB-CB 3.88Å; P451-A482 WeakPolarHBondContact O-CB 3.43Å; P451-T483 HydrophobicContact CG-CG2 4.37Å; P451-V486 HydrophobicContact CG-CB 4.14Å; P451-V486 HydrophobicContact CG-CG2 3.85Å
452	R	87.1	Confident	87.3	Confident	28 Å²	28	18.6 Å²	18.6	11%	0.106	8%	0.077	C	C	.	.	H	α-helix	trans	-69.4	-38.7	177.9	-72	177.5	173.4	-151.1	-6	112.1	D351 V448 S449 A450 Q455 A456 P479	D351-R452 IonicContact OD1-NH1 3.53Å; D351-R452 PolarHBondContact OD1-NH1 2.89Å; D351-R452 IonicContact OD1-NH2 2.89Å; D351-R452 IonicContact OD2-CZ 2.86Å; D351-R452 IonicContact OD2-NH1 3.88Å; D351-R452 PolarHBondContact OD2-NH1 3.41Å; D351-R452 IonicContact OD2-NH2 3.1Å; D351-R452 PolarHBondContact OD2-NH2 2.96Å; V448-R452 WeakPolarHBondContact O-CG 3.48Å; S449-R452 PolarHBondContact O-N 3.07Å; A450-R452 VanDerWaalsContact C-N 3.28Å; A450-R452 PolarHBondContact O-N 3.17Å; R452-Q455 PolarHBondContact O-N 2.95Å; R452-A456 WeakPolarHBondContact O-CB 3.34Å; R452-A456 PolarHBondContact O-N 2.98Å; R452-P479 HydrophobicContact CG-CG 4.1Å
453	T	89	Confident	86.9	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-59	-50.6	171.5	-61.8	0	0	0	0	110.4	G209 F212 S449 A450 Q455 A456 I457	G209-T453 VanDerWaalsContact O-CG2 3.24Å; G209-T453 WeakPolarHBondContact O-CG2 3.37Å; F212-T453 HydrophobicContact CD1-CG2 3.91Å; S449-T453 PolarHBondContact O-N 3.16Å; S449-T453 VanDerWaalsContact O-N 3.11Å; S449-T453 PolarHBondContact O-OG1 2.83Å; A450-T453 WeakPolarHBondContact O-CB 3.44Å; A450-T453 PolarHBondContact O-N 2.85Å; T453-Q455 PolarHBondContact O-N 3.47Å; T453-A456 PolarHBondContact O-N 3.42Å; T453-I457 HydrophobicContact CG2-CD1 4.01Å; T453-I457 WeakPolarHBondContact O-CD1 3.34Å; T453-I457 VanDerWaalsContact O-CG1 3.3Å; T453-I457 WeakPolarHBondContact O-CG1 3.44Å; T453-I457 PolarHBondContact O-N 3.13Å; T453-I457 VanDerWaalsContact O-N 3.12Å
454	F	89.7	Confident	86.1	Confident	11 Å²	11	21.6 Å²	21.6	5%	0.048	10%	0.095	C	C	.	.	H	α-helix	trans	-61.5	-40.7	176.5	-76.3	-64.8	0	0	0	112.9	M210 A450 P451 A456 I457 C458 A482 V486	M210-F454 HydrophobicContact SD-CD1 3.97Å; M210-F454 HydrophobicContact SD-CE1 3.6Å; M210-F454 VanDerWaalsContact SD-CE1 3.6Å; A450-F454 WeakPolarHBondContact O-CD2 3.36Å; A450-F454 PolarHBondContact O-N 3.07Å; P451-F454 PolarHBondContact O-N 3.21Å; F454-A456 PolarHBondContact O-N 3.36Å; F454-I457 PolarHBondContact O-N 3.12Å; F454-C458 WeakPolarHBondContact O-CB 3.49Å; F454-C458 PolarHBondContact O-N 2.88Å; F454-C458 PolarHBondContact O-SG 3.37Å; F454-A482 HydrophobicContact CB-CB 3.97Å; F454-V486 HydrophobicContact CD2-CG2 3.8Å; F454-V486 HydrophobicContact CE2-CG2 3.81Å
455	Q	89.7	Confident	85.7	Confident	14 Å²	14	30.8 Å²	30.8	7%	0.065	13%	0.131	C	C	.	.	H	α-helix	trans	-59.9	-45.6	177.4	-173.9	-172	31.7	0	0	111.5	P451 R452 T453 C458 R459 D477 P479	P451-Q455 VanDerWaalsContact O-CB 3.3Å; P451-Q455 WeakPolarHBondContact O-CB 3.16Å; P451-Q455 PolarHBondContact O-N 2.94Å; R452-Q455 PolarHBondContact O-N 2.95Å; T453-Q455 PolarHBondContact O-N 3.47Å; Q455-C458 PolarHBondContact O-N 3.3Å; Q455-R459 VanDerWaalsContact NE2-NH2 3.15Å; Q455-R459 WeakPolarHBondContact O-CG 3.48Å; Q455-R459 PolarHBondContact O-N 3.48Å; Q455-D477 PolarHBondContact NE2-O 3.11Å; Q455-P479 HydrophobicContact CB-CB 3.82Å; Q455-P479 HydrophobicContact CG-CB 4.07Å
456	A	85.8	Confident	85.4	Confident	12 Å²	12	32.7 Å²	32.7	10%	0.099	14%	0.14	C	C	.	.	H	α-helix	trans	-62	-47.6	178.5	0	0	0	0	0	111.9	G190 Y193 R452 T453 F454 C458 R459 D460	G190-A456 VanDerWaalsContact CA-CB 3.46Å; Y193-A456 HydrophobicContact CD1-CB 3.74Å; Y193-A456 HydrophobicContact CE1-CB 3.82Å; R452-A456 WeakPolarHBondContact O-CB 3.34Å; R452-A456 PolarHBondContact O-N 2.98Å; T453-A456 PolarHBondContact O-N 3.42Å; F454-A456 PolarHBondContact O-N 3.36Å; A456-C458 VanDerWaalsContact C-N 3.29Å; A456-C458 PolarHBondContact O-N 3.03Å; A456-R459 PolarHBondContact O-N 3.09Å; A456-D460 PolarHBondContact O-N 3.16Å
457	I	87.8	Confident	84.9	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-57.5	-43.2	176.3	-65	162.8	0	0	0	111.4	Y193 M210 T453 F454 R461 L462 Y463	Y193-I457 HydrophobicContact CD1-CG1 3.91Å; Y193-I457 HydrophobicContact CD2-CD1 4.29Å; Y193-I457 HydrophobicContact CD2-CG1 3.58Å; Y193-I457 HydrophobicContact CE1-CG1 3.93Å; Y193-I457 HydrophobicContact CE2-CB 4.47Å; Y193-I457 HydrophobicContact CE2-CG1 3.6Å; Y193-I457 HydrophobicContact CG-CD1 4.44Å; Y193-I457 HydrophobicContact CG-CG1 3.74Å; M210-I457 HydrophobicContact CG-CD1 4.42Å; M210-I457 HydrophobicContact SD-CD1 4.39Å; T453-I457 HydrophobicContact CG2-CD1 4.01Å; T453-I457 WeakPolarHBondContact O-CD1 3.34Å; T453-I457 VanDerWaalsContact O-CG1 3.3Å; T453-I457 WeakPolarHBondContact O-CG1 3.44Å; T453-I457 PolarHBondContact O-N 3.13Å; T453-I457 VanDerWaalsContact O-N 3.12Å; F454-I457 PolarHBondContact O-N 3.12Å; I457-R461 PolarHBondContact O-N 3.21Å; I457-L462 HydrophobicContact CG2-CB 4.37Å; I457-L462 PolarHBondContact O-N 3.08Å; I457-Y463 HydrophobicContact CG2-CD2 3.52Å; I457-Y463 HydrophobicContact CG2-CE2 3.8Å
458	C	87.4	Confident	84.7	Confident	2 Å²	2	40.6 Å²	40.6	1%	0.014	18%	0.182	C	C	.	.	H	α-helix	trans	-70.6	-33	-178.2	-68.3	0	0	0	0	112.6	F454 Q455 A456 R461 I466 G470	F454-C458 WeakPolarHBondContact O-CB 3.49Å; F454-C458 PolarHBondContact O-N 2.88Å; F454-C458 PolarHBondContact O-SG 3.37Å; Q455-C458 PolarHBondContact O-N 3.3Å; A456-C458 VanDerWaalsContact C-N 3.29Å; A456-C458 PolarHBondContact O-N 3.03Å; C458-R461 WeakPolarHBondContact O-CA 3.3Å; C458-R461 PolarHBondContact O-N 3.07Å; C458-R461 VanDerWaalsContact O-N 3.09Å; C458-I466 PolarHBondContact SG-O 3.02Å; C458-G470 VanDerWaalsContact CB-CA 3.48Å
459	R	82.9	Confident	84.7	Confident	110 Å²	110	41 Å²	41	42%	0.415	18%	0.183	S	C	.	.	H	α-helix	trans	-71.1	-39.1	175.7	-79.9	179.7	176	169.2	-6.9	113.7	Q455 A456 R461 G470 D477	Q455-R459 VanDerWaalsContact NE2-NH2 3.15Å; Q455-R459 WeakPolarHBondContact O-CG 3.48Å; Q455-R459 PolarHBondContact O-N 3.48Å; A456-R459 PolarHBondContact O-N 3.09Å; R459-R461 PolarHBondContact O-N 3.4Å; R459-R461 VanDerWaalsContact O-N 3.11Å; R459-G470 PolarHBondContact NE-O 3.26Å; R459-G470 VanDerWaalsContact NE-O 3.16Å; R459-D477 IonicContact CZ-OD1 3.6Å; R459-D477 IonicContact CZ-OD2 3.34Å; R459-D477 IonicContact NH1-OD1 3.62Å; R459-D477 IonicContact NH1-OD2 2.94Å; R459-D477 PolarHBondContact NH1-OD2 3.4Å; R459-D477 IonicContact NH2-OD1 2.84Å; R459-D477 PolarHBondContact NH2-OD1 3.29Å; R459-D477 IonicContact NH2-OD2 3.44Å; R459-D477 PolarHBondContact NH2-OD2 3.13Å
460	D	82.2	Confident	84.4	Confident	26 Å²	26	41.2 Å²	41.2	14%	0.139	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-7.5	170	-73.6	-34	0	0	0	111.6	Y193 R198 A456 L462 W586	Y193-D460 WeakPolarHBondContact CE1-OD2 3.4Å; Y193-D460 WeakPolarHBondContact OH-CB 3.36Å; Y193-D460 PolarHBondContact OH-OD2 2.97Å; R198-D460 IonicContact NH2-OD1 3.8Å; R198-D460 PolarHBondContact NH2-OD1 3.45Å; R198-D460 IonicContact NH2-OD2 3.79Å; R198-D460 PolarHBondContact NH2-OD2 3.33Å; A456-D460 PolarHBondContact O-N 3.16Å; D460-L462 HydrophobicContact CB-CD1 3.34Å; D460-L462 PolarHBondContact O-N 2.81Å; D460-W586 HydrophobicContact CB-CH2 3.83Å; D460-W586 HydrophobicContact CB-CZ2 3.97Å
461	R	81.1	Confident	84.1	Confident	175 Å²	175	47.9 Å²	47.9	66%	0.66	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.1	37.2	177.9	-60.3	-173.2	-177.8	-165.9	-0.1	112.3	I457 C458 R459 Y463 R580	I457-R461 PolarHBondContact O-N 3.21Å; C458-R461 WeakPolarHBondContact O-CA 3.3Å; C458-R461 PolarHBondContact O-N 3.07Å; C458-R461 VanDerWaalsContact O-N 3.09Å; R459-R461 PolarHBondContact O-N 3.4Å; R459-R461 VanDerWaalsContact O-N 3.11Å; R461-Y463 VanDerWaalsContact C-N 3.29Å; R461-Y463 PolarHBondContact O-N 3.15Å; R461-R580 VanDerWaalsContact O-CZ 3.3Å; R461-R580 PolarHBondContact O-NH1 3.38Å; R461-R580 PolarHBondContact O-NH2 2.81Å
462	L	79.6	Confident	83.7	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	-67.8	-31.1	176.8	-92.3	69.8	0	0	0	112.3	Y193 P202 I457 D460 L577 R580 W586	Y193-L462 HydrophobicContact CE2-CD2 4.29Å; P202-L462 HydrophobicContact CB-CD2 4.33Å; P202-L462 VanDerWaalsContact O-CD2 3.27Å; P202-L462 WeakPolarHBondContact O-CD2 3.47Å; I457-L462 HydrophobicContact CG2-CB 4.37Å; I457-L462 PolarHBondContact O-N 3.08Å; D460-L462 HydrophobicContact CB-CD1 3.34Å; D460-L462 PolarHBondContact O-N 2.81Å; L462-L577 HydrophobicContact CB-CD2 4.17Å; L462-L577 HydrophobicContact CD2-CD1 4.33Å; L462-L577 HydrophobicContact CG-CD2 4.43Å; L462-L577 WeakPolarHBondContact O-CD2 3.47Å; L462-R580 PolarHBondContact O-NH1 2.91Å; L462-W586 HydrophobicContact CD1-CH2 3.62Å; L462-W586 HydrophobicContact CD1-CZ3 4.28Å
463	Y	82.7	Confident	83.1	Confident	15 Å²	15	49.1 Å²	49.1	6%	0.059	23%	0.231	C	C	.	.	S	Bend	trans	-125.1	98.7	176.1	-59.7	-84.5	0	0	0	108.8	G206 M210 I457 R461 Y465 I466 S467 L573 Y576 L577	G206-Y463 PolarHBondContact O-OH 2.87Å; M210-Y463 HydrophobicContact CE-CD2 4.18Å; M210-Y463 HydrophobicContact CE-CE2 4.22Å; M210-Y463 HydrophobicContact CE-CG 4.36Å; M210-Y463 HydrophobicContact CG-CD2 4.39Å; M210-Y463 HydrophobicContact CG-CE2 3.64Å; M210-Y463 HydrophobicContact SD-CE2 4.31Å; I457-Y463 HydrophobicContact CG2-CD2 3.52Å; I457-Y463 HydrophobicContact CG2-CE2 3.8Å; R461-Y463 VanDerWaalsContact C-N 3.29Å; R461-Y463 PolarHBondContact O-N 3.15Å; Y463-Y465 VanDerWaalsContact C-N 3.31Å; Y463-Y465 PolarHBondContact O-N 2.72Å; Y463-I466 HydrophobicContact CD2-CD1 4.14Å; Y463-I466 HydrophobicContact CG-CD1 4.06Å; Y463-I466 HydrophobicContact CG-CG1 4.41Å; Y463-I466 VanDerWaalsContact O-CG1 3.28Å; Y463-I466 WeakPolarHBondContact O-CG1 3.28Å; Y463-I466 PolarHBondContact O-N 3.25Å; Y463-S467 PolarHBondContact O-N 3.34Å; Y463-L573 HydrophobicContact CE1-CD2 4.06Å; Y463-Y576 HydrophobicContact CD1-CD1 4.02Å; Y463-Y576 AromaticContact CD1-CE1 3.61Å; Y463-Y576 HydrophobicContact CD1-CE1 3.61Å; Y463-Y576 AromaticContact CE1-CD1 3.78Å; Y463-Y576 HydrophobicContact CE1-CD1 3.78Å; Y463-Y576 AromaticContact CE1-CE1 3.88Å; Y463-Y576 HydrophobicContact CE1-CE1 3.88Å; Y463-L577 HydrophobicContact CE1-CD2 4.08Å; Y463-L577 HydrophobicContact CE1-CG 4.31Å; Y463-L577 WeakPolarHBondContact OH-CD1 3.46Å
464	P	74.2	Confident	82.2	Confident	48 Å²	48	52.2 Å²	52.2	31%	0.312	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-65.5	-34.1	-169	24.1	-31.5	0	0	0	112.7	I466 S467	P464-I466 VanDerWaalsContact C-N 3.25Å; P464-I466 PolarHBondContact O-N 3.02Å; P464-S467 VanDerWaalsContact O-CB 3.29Å; P464-S467 WeakPolarHBondContact O-CB 3.48Å; P464-S467 PolarHBondContact O-N 3.41Å; P464-S467 PolarHBondContact O-OG 3.37Å
465	Y	80.4	Confident	80.9	Confident	197 Å²	197	56.3 Å²	56.3	77%	0.773	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-65.5	-25.6	179.8	-63.6	-65.3	0	0	0	113.6	Y463 F468	Y463-Y465 VanDerWaalsContact C-N 3.31Å; Y463-Y465 PolarHBondContact O-N 2.72Å; Y465-F468 WeakPolarHBondContact O-CD1 3.3Å; Y465-F468 WeakPolarHBondContact O-CE1 3.46Å
466	I	81.5	Confident	79.8	Confident	41 Å²	41	59.1 Å²	59.1	21%	0.21	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-102	5.1	177.1	63.4	171.8	0	0	0	112.9	M210 C458 Y463 P464 F468 L469	M210-I466 HydrophobicContact CE-CD1 3.54Å; M210-I466 HydrophobicContact SD-CD1 4.19Å; C458-I466 PolarHBondContact SG-O 3.02Å; Y463-I466 HydrophobicContact CD2-CD1 4.14Å; Y463-I466 HydrophobicContact CG-CD1 4.06Å; Y463-I466 HydrophobicContact CG-CG1 4.41Å; Y463-I466 VanDerWaalsContact O-CG1 3.28Å; Y463-I466 WeakPolarHBondContact O-CG1 3.28Å; Y463-I466 PolarHBondContact O-N 3.25Å; P464-I466 VanDerWaalsContact C-N 3.25Å; P464-I466 PolarHBondContact O-N 3.02Å; I466-F468 PolarHBondContact O-N 3.43Å; I466-L469 HydrophobicContact CB-CD1 3.99Å; I466-L469 HydrophobicContact CG2-CD1 4.47Å; I466-L469 VanDerWaalsContact O-CB 3.32Å; I466-L469 WeakPolarHBondContact O-CB 3.18Å; I466-L469 WeakPolarHBondContact O-CG 3.41Å; I466-L469 PolarHBondContact O-N 3.15Å
467	S	81.1	Confident	79.3	Confident	52 Å²	52	60.7 Å²	60.7	36%	0.364	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-56.9	-25.4	-176.6	60.8	0	0	0	0	114	Y463 P464 L469 G470	Y463-S467 PolarHBondContact O-N 3.34Å; P464-S467 VanDerWaalsContact O-CB 3.29Å; P464-S467 WeakPolarHBondContact O-CB 3.48Å; P464-S467 PolarHBondContact O-N 3.41Å; P464-S467 PolarHBondContact O-OG 3.37Å; S467-L469 PolarHBondContact O-N 3.5Å; S467-G470 PolarHBondContact O-N 2.86Å; S467-G470 VanDerWaalsContact O-N 3.07Å
468	F	84.1	Confident	79.1	Confident	115 Å²	115	61.7 Å²	61.7	50%	0.504	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-65	-20.1	176.1	73.1	-91.1	0	0	0	113.8	Y465 I466 G470 R481	Y465-F468 WeakPolarHBondContact O-CD1 3.3Å; Y465-F468 WeakPolarHBondContact O-CE1 3.46Å; I466-F468 PolarHBondContact O-N 3.43Å; F468-G470 VanDerWaalsContact C-N 3.29Å; F468-R481 WeakPolarHBondContact O-CD 3.24Å; F468-R481 PolarHBondContact O-NH1 2.98Å
469	L	84.9	Confident	79.1	Confident	12 Å²	12	61.9 Å²	61.9	6%	0.063	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-74	-21.1	174	-60.6	177.2	0	0	0	112.2	I466 S467 K471 R481 L485	I466-L469 HydrophobicContact CB-CD1 3.99Å; I466-L469 HydrophobicContact CG2-CD1 4.47Å; I466-L469 VanDerWaalsContact O-CB 3.32Å; I466-L469 WeakPolarHBondContact O-CB 3.18Å; I466-L469 WeakPolarHBondContact O-CG 3.41Å; I466-L469 PolarHBondContact O-N 3.15Å; S467-L469 PolarHBondContact O-N 3.5Å; L469-K471 PolarHBondContact O-N 2.9Å; L469-R481 HydrophobicContact CD2-CB 4.07Å; L469-L485 HydrophobicContact CD1-CD2 3.61Å
470	G	81.1	Confident	79.3	Confident	7 Å²	7	62 Å²	62	7%	0.072	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-76.3	-2.1	-179.9	0	0	0	0	0	115.2	C458 R459 S467 F468 G472	C458-G470 VanDerWaalsContact CB-CA 3.48Å; R459-G470 PolarHBondContact NE-O 3.26Å; R459-G470 VanDerWaalsContact NE-O 3.16Å; S467-G470 PolarHBondContact O-N 2.86Å; S467-G470 VanDerWaalsContact O-N 3.07Å; F468-G470 VanDerWaalsContact C-N 3.29Å; G470-G472 PolarHBondContact O-N 2.97Å
471	K	83.5	Confident	79.7	Confident	140 Å²	140	66.3 Å²	66.3	61%	0.609	34%	0.339	S	S	*	.			trans	-75.7	115.6	178	-172.4	175.6	-179.3	178.2	0	109.5	L469	L469-K471 PolarHBondContact O-N 2.9Å
472	G	81.1	Confident	80.1	Confident	19 Å²	19	58 Å²	58	20%	0.196	31%	0.308	C	S	.	.			trans	-84.1	161.4	171	0	0	0	0	0	112.4	G470 D477 E478	G470-G472 PolarHBondContact O-N 2.97Å; G472-D477 WeakPolarHBondContact CA-OD1 3.44Å; G472-E478 CarbonylContact C-O 3.6Å; G472-E478 VanDerWaalsContact CA-O 3.32Å; G472-E478 WeakPolarHBondContact CA-O 3.49Å
473	S	75.8	Confident	80.7	Confident	35 Å²	35	58.3 Å²	58.3	25%	0.245	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-130.5	144.5	178.7	56.7	0	0	0	0	111.8	E478 R480	S473-E478 PolarHBondContact N-O 3.22Å; S473-E478 PolarHBondContact O-N 2.79Å; S473-E478 PolarHBondContact OG-O 3.12Å; S473-E478 VanDerWaalsContact OG-O 3.12Å; S473-R480 WeakPolarHBondContact OG-CD 3.33Å; S473-R480 VanDerWaalsContact OG-CG 3.27Å; S473-R480 WeakPolarHBondContact OG-CG 3.43Å; S473-R480 PolarHBondContact OG-NE 3.35Å
474	G	69.4	Low	81.2	Confident	66 Å²	66	60.5 Å²	60.5	68%	0.68	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.1	178.3	177.6	0	0	0	0	0	114	Q476 D477	G474-Q476 VanDerWaalsContact C-N 3.29Å; G474-Q476 PolarHBondContact O-N 3.17Å; G474-D477 PolarHBondContact O-N 3.15Å
475	A	62.1	Low	82	Confident	96 Å²	96	61 Å²	61	79%	0.793	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-32.3	-177.6	0	0	0	0	0	113.2	D477	A475-D477 VanDerWaalsContact C-N 3.26Å; A475-D477 PolarHBondContact O-N 3.5Å
476	Q	67.1	Low	82.6	Confident	73 Å²	73	51.7 Å²	51.7	34%	0.341	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	3.3	178.7	-61.6	-58.2	-24	0	0	113.8	G474 E478	G474-Q476 VanDerWaalsContact C-N 3.29Å; G474-Q476 PolarHBondContact O-N 3.17Å; Q476-E478 HydrophobicContact CB-CG 4.08Å
477	D	75.3	Confident	83.2	Confident	46 Å²	46	50 Å²	50	25%	0.246	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.8	45.1	175.4	-167.3	31.2	0	0	0	113.8	Q455 R459 G472 G474 A475	Q455-D477 PolarHBondContact NE2-O 3.11Å; R459-D477 IonicContact CZ-OD1 3.6Å; R459-D477 IonicContact CZ-OD2 3.34Å; R459-D477 IonicContact NH1-OD1 3.62Å; R459-D477 IonicContact NH1-OD2 2.94Å; R459-D477 PolarHBondContact NH1-OD2 3.4Å; R459-D477 IonicContact NH2-OD1 2.84Å; R459-D477 PolarHBondContact NH2-OD1 3.29Å; R459-D477 IonicContact NH2-OD2 3.44Å; R459-D477 PolarHBondContact NH2-OD2 3.13Å; G472-D477 WeakPolarHBondContact CA-OD1 3.44Å; G474-D477 PolarHBondContact O-N 3.15Å; A475-D477 VanDerWaalsContact C-N 3.26Å; A475-D477 PolarHBondContact O-N 3.5Å
478	E	83	Confident	83.9	Confident	21 Å²	21	52 Å²	52	10%	0.098	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-74.9	133	-168.6	-61	178.6	153.1	0	0	112.7	V269 G472 S473 Q476 R480	V269-E478 HydrophobicContact CG2-CG 4.09Å; V269-E478 PolarHBondContact N-OE1 3.13Å; G472-E478 CarbonylContact C-O 3.6Å; G472-E478 VanDerWaalsContact CA-O 3.32Å; G472-E478 WeakPolarHBondContact CA-O 3.49Å; S473-E478 PolarHBondContact N-O 3.22Å; S473-E478 PolarHBondContact O-N 2.79Å; S473-E478 PolarHBondContact OG-O 3.12Å; S473-E478 VanDerWaalsContact OG-O 3.12Å; Q476-E478 HydrophobicContact CB-CG 4.08Å; E478-R480 VanDerWaalsContact C-N 3.31Å; E478-R480 PolarHBondContact O-N 3.27Å; E478-R480 IonicContact OE2-NE 3.5Å; E478-R480 IonicContact OE2-NH2 2.67Å
479	P	87.5	Confident	84.3	Confident	6 Å²	6	47.6 Å²	47.6	4%	0.039	27%	0.268	C	S	.	.			trans	-84.8	55.2	-174.6	36	-39.9	0	0	0	114	P451 R452 Q455 R481 A482 T483	P451-P479 HydrophobicContact CB-CB 4.06Å; P451-P479 HydrophobicContact CB-CG 3.52Å; R452-P479 HydrophobicContact CG-CG 4.1Å; Q455-P479 HydrophobicContact CB-CB 3.82Å; Q455-P479 HydrophobicContact CG-CB 4.07Å; P479-R481 VanDerWaalsContact C-N 3.26Å; P479-R481 PolarHBondContact O-N 3.05Å; P479-A482 HydrophobicContact CB-CB 4.18Å; P479-A482 PolarHBondContact O-N 2.83Å; P479-T483 PolarHBondContact O-N 3.01Å; P479-T483 PolarHBondContact O-OG1 2.82Å; P479-T483 VanDerWaalsContact O-OG1 3.11Å
480	R	88.3	Confident	84.7	Confident	111 Å²	111	47 Å²	47	42%	0.419	27%	0.265	S	S	.	.	H	α-helix	trans	-49.9	-40.7	-173.8	-72	-176.4	-175.3	-170.6	-0.1	114.7	M266 S473 E478 T483 V484	M266-R480 HydrophobicContact CE-CB 3.92Å; M266-R480 HydrophobicContact CE-CG 3.79Å; M266-R480 HydrophobicContact SD-CB 4.08Å; M266-R480 HydrophobicContact SD-CG 3.95Å; S473-R480 WeakPolarHBondContact OG-CD 3.33Å; S473-R480 VanDerWaalsContact OG-CG 3.27Å; S473-R480 WeakPolarHBondContact OG-CG 3.43Å; S473-R480 PolarHBondContact OG-NE 3.35Å; E478-R480 VanDerWaalsContact C-N 3.31Å; E478-R480 PolarHBondContact O-N 3.27Å; E478-R480 IonicContact OE2-NE 3.5Å; E478-R480 IonicContact OE2-NH2 2.67Å; R480-T483 WeakPolarHBondContact O-CB 3.42Å; R480-T483 PolarHBondContact O-N 3.34Å; R480-V484 WeakPolarHBondContact O-CG2 3.2Å; R480-V484 PolarHBondContact O-N 2.68Å; R480-V484 VanDerWaalsContact O-N 3.1Å
481	R	89.9	Confident	85.4	Confident	117 Å²	117	48.6 Å²	48.6	44%	0.442	27%	0.272	S	S	.	.	H	α-helix	trans	-67.5	-39.3	179	-67.7	177.9	175.7	-171.6	-6.1	112.7	F468 L469 P479 T483 V484 L485	F468-R481 WeakPolarHBondContact O-CD 3.24Å; F468-R481 PolarHBondContact O-NH1 2.98Å; L469-R481 HydrophobicContact CD2-CB 4.07Å; P479-R481 VanDerWaalsContact C-N 3.26Å; P479-R481 PolarHBondContact O-N 3.05Å; R481-T483 VanDerWaalsContact C-N 3.34Å; R481-V484 PolarHBondContact O-N 3.49Å; R481-L485 PolarHBondContact O-N 3.38Å
482	A	90.3	Very high	85.8	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-72.7	-32	176.1	0	0	0	0	0	111	P451 F454 P479 V484 L485 V486	P451-A482 HydrophobicContact CB-CB 3.88Å; P451-A482 WeakPolarHBondContact O-CB 3.43Å; F454-A482 HydrophobicContact CB-CB 3.97Å; P479-A482 HydrophobicContact CB-CB 4.18Å; P479-A482 PolarHBondContact O-N 2.83Å; A482-V484 PolarHBondContact O-N 3.38Å; A482-L485 WeakPolarHBondContact O-CB 3.35Å; A482-L485 PolarHBondContact O-N 2.92Å; A482-V486 WeakPolarHBondContact O-CG2 3.37Å; A482-V486 PolarHBondContact O-N 2.85Å
483	T	91.4	Very high	86.3	Confident	7 Å²	7	47.7 Å²	47.7	4%	0.043	27%	0.267	C	S	.	.	H	α-helix	trans	-58.6	-46.3	171.2	-49	0	0	0	0	111.2	F262 V265 M266 P451 P479 R480 R481 L485 V486 T487	F262-T483 HydrophobicContact CD2-CG2 4Å; F262-T483 HydrophobicContact CE2-CG2 4.15Å; V265-T483 HydrophobicContact CG1-CG2 3.89Å; M266-T483 HydrophobicContact SD-CG2 4.36Å; P451-T483 HydrophobicContact CG-CG2 4.37Å; P479-T483 PolarHBondContact O-N 3.01Å; P479-T483 PolarHBondContact O-OG1 2.82Å; P479-T483 VanDerWaalsContact O-OG1 3.11Å; R480-T483 WeakPolarHBondContact O-CB 3.42Å; R480-T483 PolarHBondContact O-N 3.34Å; R481-T483 VanDerWaalsContact C-N 3.34Å; T483-L485 VanDerWaalsContact C-N 3.33Å; T483-L485 PolarHBondContact O-N 3.11Å; T483-V486 PolarHBondContact O-N 3.19Å; T483-T487 PolarHBondContact O-N 3.29Å; T483-T487 PolarHBondContact O-OG1 3.27Å; T483-T487 VanDerWaalsContact O-OG1 3.07Å
484	V	92.9	Very high	87.1	Confident	62 Å²	62	46.1 Å²	46.1	38%	0.376	26%	0.256	S	S	.	.	H	α-helix	trans	-56.2	-46.3	174.1	174.1	0	0	0	0	111.5	F262 R480 R481 A482 T487 L488	F262-V484 HydrophobicContact CE2-CG2 3.85Å; F262-V484 HydrophobicContact CZ-CG2 3.81Å; R480-V484 WeakPolarHBondContact O-CG2 3.2Å; R480-V484 PolarHBondContact O-N 2.68Å; R480-V484 VanDerWaalsContact O-N 3.1Å; R481-V484 PolarHBondContact O-N 3.49Å; A482-V484 PolarHBondContact O-N 3.38Å; V484-T487 PolarHBondContact O-N 3.14Å; V484-L488 HydrophobicContact CG1-CD1 4.19Å; V484-L488 WeakPolarHBondContact O-CG 3.47Å; V484-L488 PolarHBondContact O-N 2.96Å
485	L	91.6	Very high	88	Confident	59 Å²	59	46.6 Å²	46.6	31%	0.309	25%	0.249	S	C	.	.	H	α-helix	trans	-60.2	-48.2	178	175.9	65.5	0	0	0	111.9	L469 R481 A482 T483 T487 L488 V489	L469-L485 HydrophobicContact CD1-CD2 3.61Å; R481-L485 PolarHBondContact O-N 3.38Å; A482-L485 WeakPolarHBondContact O-CB 3.35Å; A482-L485 PolarHBondContact O-N 2.92Å; T483-L485 VanDerWaalsContact C-N 3.33Å; T483-L485 PolarHBondContact O-N 3.11Å; L485-T487 VanDerWaalsContact C-N 3.31Å; L485-T487 PolarHBondContact O-N 3.11Å; L485-L488 PolarHBondContact O-N 3.35Å; L485-V489 HydrophobicContact CD1-CG2 4.38Å; L485-V489 WeakPolarHBondContact O-CG2 3.47Å; L485-V489 PolarHBondContact O-N 3.33Å
486	V	93.7	Very high	89.1	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.006	23%	0.229	C	C	.	.	H	α-helix	trans	-61.6	-41.3	-180	169.9	0	0	0	0	110.9	A217 L447 A450 P451 F454 A482 T483 V489 G490	A217-V486 HydrophobicContact CB-CG1 3.91Å; L447-V486 HydrophobicContact CD2-CG1 3.98Å; A450-V486 HydrophobicContact CB-CB 4.38Å; A450-V486 HydrophobicContact CB-CG1 3.83Å; A450-V486 HydrophobicContact CB-CG2 3.57Å; P451-V486 HydrophobicContact CG-CB 4.14Å; P451-V486 HydrophobicContact CG-CG2 3.85Å; F454-V486 HydrophobicContact CD2-CG2 3.8Å; F454-V486 HydrophobicContact CE2-CG2 3.81Å; A482-V486 WeakPolarHBondContact O-CG2 3.37Å; A482-V486 PolarHBondContact O-N 2.85Å; T483-V486 PolarHBondContact O-N 3.19Å; V486-V489 PolarHBondContact O-N 3.15Å; V486-G490 PolarHBondContact O-N 3.28Å
487	T	93.8	Very high	89.4	Confident	5 Å²	5	42.1 Å²	42.1	3%	0.031	21%	0.214	C	C	.	.	H	α-helix	trans	-62	-43.8	175.3	-61.2	0	0	0	0	111.7	Q258 F262 T483 V484 L485 G490 L491	Q258-T487 HydrophobicContact CG-CG2 4.24Å; F262-T487 HydrophobicContact CB-CG2 3.75Å; F262-T487 HydrophobicContact CD2-CG2 4.09Å; F262-T487 WeakPolarHBondContact CD2-OG1 3.4Å; F262-T487 HydrophobicContact CG-CG2 3.89Å; T483-T487 PolarHBondContact O-N 3.29Å; T483-T487 PolarHBondContact O-OG1 3.27Å; T483-T487 VanDerWaalsContact O-OG1 3.07Å; V484-T487 PolarHBondContact O-N 3.14Å; L485-T487 VanDerWaalsContact C-N 3.31Å; L485-T487 PolarHBondContact O-N 3.11Å; T487-G490 PolarHBondContact O-N 3.16Å; T487-L491 HydrophobicContact CG2-CD1 4.41Å; T487-L491 WeakPolarHBondContact O-CG 3.49Å; T487-L491 PolarHBondContact O-N 2.95Å
488	L	94.6	Very high	89.5	Confident	95 Å²	95	44.8 Å²	44.8	50%	0.497	23%	0.225	S	C	.	.	H	α-helix	trans	-63.1	-41.8	176.2	-69.6	173.6	0	0	0	112.2	V484 L485 G490 L491 M492	V484-L488 HydrophobicContact CG1-CD1 4.19Å; V484-L488 WeakPolarHBondContact O-CG 3.47Å; V484-L488 PolarHBondContact O-N 2.96Å; L485-L488 PolarHBondContact O-N 3.35Å; L488-G490 VanDerWaalsContact C-N 3.33Å; L488-L491 HydrophobicContact CD2-CD1 4.45Å; L488-L491 PolarHBondContact O-N 3.34Å; L488-M492 WeakPolarHBondContact O-CG 3.35Å; L488-M492 PolarHBondContact O-N 3.01Å; L488-M492 VanDerWaalsContact O-N 3.07Å
489	V	93.4	Very high	89	Confident	22 Å²	22	44.6 Å²	44.6	13%	0.133	22%	0.224	C	C	.	.	H	α-helix	trans	-61.3	-44.7	173.5	173.8	0	0	0	0	110.6	L214 A217 L485 V486 L491 M492 V493	L214-V489 HydrophobicContact CD2-CG1 4.26Å; A217-V489 HydrophobicContact CB-CB 4.25Å; A217-V489 HydrophobicContact CB-CG1 3.83Å; L485-V489 HydrophobicContact CD1-CG2 4.38Å; L485-V489 WeakPolarHBondContact O-CG2 3.47Å; L485-V489 PolarHBondContact O-N 3.33Å; V486-V489 PolarHBondContact O-N 3.15Å; V489-L491 PolarHBondContact O-N 3.11Å; V489-M492 HydrophobicContact CB-CE 4.34Å; V489-M492 HydrophobicContact CG2-CE 3.99Å; V489-M492 WeakPolarHBondContact O-CB 3.44Å; V489-M492 PolarHBondContact O-N 2.79Å; V489-V493 WeakPolarHBondContact O-CG2 3.45Å; V489-V493 PolarHBondContact O-N 3.2Å; V489-V493 VanDerWaalsContact O-N 3.08Å
490	G	93.6	Very high	88.3	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-59.3	-42.6	175.5	0	0	0	0	0	112.9	V486 T487 L488 M492 V493 I494	V486-G490 PolarHBondContact O-N 3.28Å; T487-G490 PolarHBondContact O-N 3.16Å; L488-G490 VanDerWaalsContact C-N 3.33Å; G490-M492 VanDerWaalsContact C-N 3.32Å; G490-M492 PolarHBondContact O-N 2.97Å; G490-V493 PolarHBondContact O-N 3.4Å; G490-V493 VanDerWaalsContact O-N 3.16Å; G490-I494 VanDerWaalsContact O-CG1 3.28Å; G490-I494 WeakPolarHBondContact O-CG1 3.49Å; G490-I494 PolarHBondContact O-N 3.42Å
491	L	95	Very high	87.7	Confident	40 Å²	40	45.2 Å²	45.2	21%	0.209	24%	0.241	C	C	.	.	H	α-helix	trans	-62.7	-35.9	175.4	-71.3	171.3	0	0	0	112.8	A255 Q258 L259 T487 L488 V489 S495	A255-L491 HydrophobicContact CB-CD2 3.99Å; Q258-L491 HydrophobicContact CB-CD2 4.11Å; Q258-L491 HydrophobicContact CG-CD2 4Å; Q258-L491 HydrophobicContact CG-CG 4.2Å; L259-L491 HydrophobicContact CD2-CD1 4.27Å; T487-L491 HydrophobicContact CG2-CD1 4.41Å; T487-L491 WeakPolarHBondContact O-CG 3.49Å; T487-L491 PolarHBondContact O-N 2.95Å; L488-L491 HydrophobicContact CD2-CD1 4.45Å; L488-L491 PolarHBondContact O-N 3.34Å; V489-L491 PolarHBondContact O-N 3.11Å; L491-S495 PolarHBondContact O-N 3.44Å; L491-S495 PolarHBondContact O-OG 2.97Å
492	M	92.6	Very high	87.2	Confident	126 Å²	126	39.7 Å²	39.7	62%	0.621	22%	0.22	S	C	*	.	H	α-helix	trans	-65.7	-39.5	173.6	-69.4	-172.6	-69.3	0	0	111.8	L488 V489 G490 S495	L488-M492 WeakPolarHBondContact O-CG 3.35Å; L488-M492 PolarHBondContact O-N 3.01Å; L488-M492 VanDerWaalsContact O-N 3.07Å; V489-M492 HydrophobicContact CB-CE 4.34Å; V489-M492 HydrophobicContact CG2-CE 3.99Å; V489-M492 WeakPolarHBondContact O-CB 3.44Å; V489-M492 PolarHBondContact O-N 2.79Å; G490-M492 VanDerWaalsContact C-N 3.32Å; G490-M492 PolarHBondContact O-N 2.97Å; M492-S495 WeakPolarHBondContact O-CB 3.35Å; M492-S495 PolarHBondContact O-N 3.34Å
493	V	91.7	Very high	86.9	Confident	13 Å²	13	39.9 Å²	39.9	8%	0.079	22%	0.221	C	C	.	.	H	α-helix	trans	-69.3	-42.4	176.5	175.9	0	0	0	0	111.2	T218 A221 V489 G490 S495 I496 V502	T218-V493 HydrophobicContact CG2-CG1 3.81Å; T218-V493 HydrophobicContact CG2-CG2 4Å; A221-V493 HydrophobicContact CB-CB 3.66Å; A221-V493 HydrophobicContact CB-CG1 3.58Å; V489-V493 WeakPolarHBondContact O-CG2 3.45Å; V489-V493 PolarHBondContact O-N 3.2Å; V489-V493 VanDerWaalsContact O-N 3.08Å; G490-V493 PolarHBondContact O-N 3.4Å; G490-V493 VanDerWaalsContact O-N 3.16Å; V493-S495 PolarHBondContact O-N 3.38Å; V493-I496 VanDerWaalsContact O-CB 3.28Å; V493-I496 WeakPolarHBondContact O-CB 3.41Å; V493-I496 WeakPolarHBondContact O-CG1 3.35Å; V493-I496 PolarHBondContact O-N 3.29Å; V493-V502 HydrophobicContact CG1-CG1 3.6Å; V493-V502 HydrophobicContact CG1-CG2 4.01Å
494	I	91.9	Very high	86.4	Confident	3 Å²	3	41.5 Å²	41.5	2%	0.015	23%	0.232	C	C	.	.	H	α-helix	trans	-60.4	-34.5	176.5	-69	165.1	0	0	0	111.2	A221 V224 I225 Q258 G490 I496 G497	A221-I494 HydrophobicContact CB-CD1 4.38Å; A221-I494 HydrophobicContact CB-CG1 3.82Å; V224-I494 HydrophobicContact CB-CD1 4.2Å; V224-I494 HydrophobicContact CG1-CD1 3.81Å; I225-I494 HydrophobicContact CG1-CG1 4.31Å; Q258-I494 HydrophobicContact CB-CD1 3.61Å; Q258-I494 HydrophobicContact CG-CD1 3.81Å; G490-I494 VanDerWaalsContact O-CG1 3.28Å; G490-I494 WeakPolarHBondContact O-CG1 3.49Å; G490-I494 PolarHBondContact O-N 3.42Å; I494-I496 PolarHBondContact O-N 3.47Å; I494-I496 VanDerWaalsContact O-N 3.09Å; I494-G497 WeakPolarHBondContact O-CA 3.24Å; I494-G497 PolarHBondContact O-N 3.5Å
495	S	87.8	Confident	86	Confident	76 Å²	76	40.6 Å²	40.6	53%	0.531	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-21.6	175.4	-60.1	0	0	0	0	113.8	R251 L491 M492 V493 G497	R251-S495 PolarHBondContact NE-O 3.01Å; R251-S495 PolarHBondContact NH2-O 3.31Å; L491-S495 PolarHBondContact O-N 3.44Å; L491-S495 PolarHBondContact O-OG 2.97Å; M492-S495 WeakPolarHBondContact O-CB 3.35Å; M492-S495 PolarHBondContact O-N 3.34Å; V493-S495 PolarHBondContact O-N 3.38Å; S495-G497 VanDerWaalsContact C-N 3.29Å
496	I	85.8	Confident	85.8	Confident	72 Å²	72	37.8 Å²	37.8	37%	0.369	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-39.5	172.6	-60.7	172.1	0	0	0	109.7	R251 V493 I494 E498 V502	R251-I496 PolarHBondContact NH2-O 2.96Å; V493-I496 VanDerWaalsContact O-CB 3.28Å; V493-I496 WeakPolarHBondContact O-CB 3.41Å; V493-I496 WeakPolarHBondContact O-CG1 3.35Å; V493-I496 PolarHBondContact O-N 3.29Å; I494-I496 PolarHBondContact O-N 3.47Å; I494-I496 VanDerWaalsContact O-N 3.09Å; I496-E498 PolarHBondContact O-N 3.22Å; I496-V502 HydrophobicContact CB-CG2 4.12Å; I496-V502 HydrophobicContact CD1-CG2 4.1Å; I496-V502 HydrophobicContact CG2-CG2 4.07Å
497	G	73.2	Confident	85.6	Confident	3 Å²	3	37.7 Å²	37.7	3%	0.031	21%	0.21	C	C	.	.			trans	81.5	-23.7	171.9	0	0	0	0	0	115.3	I494 S495	I494-G497 WeakPolarHBondContact O-CA 3.24Å; I494-G497 PolarHBondContact O-N 3.5Å; S495-G497 VanDerWaalsContact C-N 3.29Å
498	E	78.3	Confident	85.4	Confident	101 Å²	101	37.5 Å²	37.5	47%	0.472	21%	0.208	S	C	.	.			trans	-105.4	122.5	-177	-69.7	175.8	-174.4	0	0	112.6	I496 N500 S501 V502	I496-E498 PolarHBondContact O-N 3.22Å; E498-N500 PolarHBondContact O-N 3.45Å; E498-S501 PolarHBondContact O-N 2.87Å; E498-S501 PolarHBondContact OE2-OG 3.18Å; E498-V502 WeakPolarHBondContact O-CG2 3.44Å; E498-V502 PolarHBondContact O-N 3.41Å
499	L	71.3	Confident	85.3	Confident	17 Å²	17	33.8 Å²	33.8	9%	0.089	19%	0.189	C	C	.	.	H	α-helix	trans	-61.1	-45	-178.5	-162.8	79.4	0	0	0	112.5	R147 M222 I225 S501 V502 A503	R147-L499 VanDerWaalsContact NH2-CD2 3.31Å; M222-L499 HydrophobicContact CB-CD1 4.45Å; M222-L499 HydrophobicContact CG-CD1 3.42Å; M222-L499 VanDerWaalsContact CG-CD1 3.42Å; M222-L499 HydrophobicContact CG-CG 4.25Å; M222-L499 VanDerWaalsContact O-CD1 3.31Å; M222-L499 WeakPolarHBondContact O-CD1 3.31Å; I225-L499 HydrophobicContact CB-CD1 3.98Å; I225-L499 HydrophobicContact CG2-CB 4.17Å; I225-L499 HydrophobicContact CG2-CD1 3.79Å; L499-S501 PolarHBondContact O-N 3.01Å; L499-V502 PolarHBondContact O-N 3.49Å; L499-V502 VanDerWaalsContact O-N 3.11Å; L499-A503 PolarHBondContact O-N 2.86Å
500	N	72.7	Confident	85.2	Confident	67 Å²	67	32.9 Å²	32.9	36%	0.358	18%	0.183	S	C	.	.	H	α-helix	trans	-64.4	-29.1	-177.7	-71.3	-7.5	0	0	0	112.6	R147 E498 P504	R147-N500 PolarHBondContact NH1-OD1 3.43Å; E498-N500 PolarHBondContact O-N 3.45Å; N500-P504 WeakPolarHBondContact O-CD 3.33Å
501	S	76.1	Confident	85.2	Confident	64 Å²	64	32.9 Å²	32.9	45%	0.448	18%	0.184	S	C	.	.	H	α-helix	trans	-75.9	-29.7	176.9	-67.5	0	0	0	0	112.1	E498 L499	E498-S501 PolarHBondContact O-N 2.87Å; E498-S501 PolarHBondContact OE2-OG 3.18Å; L499-S501 PolarHBondContact O-N 3.01Å
502	V	80.5	Confident	85	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-85.3	-29.5	-179.6	178.9	0	0	0	0	112.2	T218 M222 I225 V493 I496 E498 L499 L505 I506	T218-V502 HydrophobicContact CG2-CG1 3.83Å; M222-V502 HydrophobicContact CB-CG1 4.4Å; I225-V502 HydrophobicContact CD1-CG2 4.27Å; V493-V502 HydrophobicContact CG1-CG1 3.6Å; V493-V502 HydrophobicContact CG1-CG2 4.01Å; I496-V502 HydrophobicContact CB-CG2 4.12Å; I496-V502 HydrophobicContact CD1-CG2 4.1Å; I496-V502 HydrophobicContact CG2-CG2 4.07Å; E498-V502 WeakPolarHBondContact O-CG2 3.44Å; E498-V502 PolarHBondContact O-N 3.41Å; L499-V502 PolarHBondContact O-N 3.49Å; L499-V502 VanDerWaalsContact O-N 3.11Å; V502-L505 WeakPolarHBondContact O-CB 3.19Å; V502-L505 PolarHBondContact O-N 3.43Å; V502-L505 VanDerWaalsContact O-N 3.17Å; V502-I506 HydrophobicContact CG1-CD1 3.72Å; V502-I506 HydrophobicContact CG1-CG1 4.18Å; V502-I506 PolarHBondContact O-N 3.25Å
503	A	82.3	Confident	85	Confident	4 Å²	4	25.2 Å²	25.2	3%	0.033	15%	0.146	C	C	.	.	H	α-helix	trans	-57.8	-46.5	-176.3	0	0	0	0	0	114.3	P337 L499 L505 I506 S507	P337-A503 HydrophobicContact CG-CB 4.15Å; L499-A503 PolarHBondContact O-N 2.86Å; A503-L505 VanDerWaalsContact C-N 3.28Å; A503-L505 PolarHBondContact O-N 3.3Å; A503-I506 PolarHBondContact O-N 3.46Å; A503-S507 WeakPolarHBondContact O-CB 3.48Å; A503-S507 PolarHBondContact O-N 2.97Å; A503-S507 PolarHBondContact O-OG 2.87Å
504	P	81	Confident	85.1	Confident	41 Å²	41	24.6 Å²	24.6	27%	0.266	14%	0.142	S	C	.	.	H	α-helix	trans	-62.1	-32.3	176.8	-24.9	34.5	0	0	0	113.9	N500 N508	N500-P504 WeakPolarHBondContact O-CD 3.33Å; P504-N508 WeakPolarHBondContact O-CB 3.4Å; P504-N508 PolarHBondContact O-N 2.97Å; P504-N508 VanDerWaalsContact O-N 3.11Å; P504-N508 PolarHBondContact O-ND2 3.04Å
505	L	84.9	Confident	85.1	Confident	43 Å²	43	24.9 Å²	24.9	23%	0.225	15%	0.145	C	C	.	.	H	α-helix	trans	-64.7	-49.7	176.4	170.9	63.2	0	0	0	110.5	T218 V502 A503 N508 L509 M562	T218-L505 HydrophobicContact CG2-CD2 3.85Å; T218-L505 HydrophobicContact CG2-CG 4.21Å; V502-L505 WeakPolarHBondContact O-CB 3.19Å; V502-L505 PolarHBondContact O-N 3.43Å; V502-L505 VanDerWaalsContact O-N 3.17Å; A503-L505 VanDerWaalsContact C-N 3.28Å; A503-L505 PolarHBondContact O-N 3.3Å; L505-N508 PolarHBondContact O-N 2.88Å; L505-L509 HydrophobicContact CD1-CD1 3.97Å; L505-L509 HydrophobicContact CD1-CG 4.28Å; L505-L509 HydrophobicContact CG-CD1 4.19Å; L505-L509 WeakPolarHBondContact O-CG 3.2Å; L505-L509 PolarHBondContact O-N 3.37Å; L505-L509 VanDerWaalsContact O-N 3.11Å; L505-M562 HydrophobicContact CB-CE 3.96Å; L505-M562 HydrophobicContact CD1-CE 3.47Å; L505-M562 VanDerWaalsContact CD1-CE 3.47Å; L505-M562 HydrophobicContact CG-CE 4.29Å
506	I	87.6	Confident	85.3	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.2	-51.7	178.4	-69.6	169.8	0	0	0	110.5	T218 Y219 M222 P337 V502 A503 N508 L509 Y510	T218-I506 HydrophobicContact CG2-CD1 3.91Å; T218-I506 HydrophobicContact CG2-CG1 3.35Å; Y219-I506 HydrophobicContact CD2-CD1 4.39Å; Y219-I506 HydrophobicContact CD2-CG2 3.89Å; M222-I506 HydrophobicContact CB-CD1 3.44Å; M222-I506 VanDerWaalsContact CB-CD1 3.44Å; M222-I506 HydrophobicContact CG-CD1 3.88Å; M222-I506 HydrophobicContact SD-CD1 3.42Å; M222-I506 WeakPolarHBondContact SD-CD1 3.49Å; P337-I506 HydrophobicContact CB-CG2 4.22Å; P337-I506 HydrophobicContact CG-CG2 4.44Å; V502-I506 HydrophobicContact CG1-CD1 3.72Å; V502-I506 HydrophobicContact CG1-CG1 4.18Å; V502-I506 PolarHBondContact O-N 3.25Å; A503-I506 PolarHBondContact O-N 3.46Å; I506-N508 VanDerWaalsContact C-N 3.28Å; I506-N508 PolarHBondContact O-N 2.87Å; I506-L509 PolarHBondContact O-N 2.89Å; I506-L509 VanDerWaalsContact O-N 3.15Å; I506-Y510 HydrophobicContact CG2-CD2 3.64Å; I506-Y510 HydrophobicContact CG2-CE2 3.88Å; I506-Y510 WeakPolarHBondContact O-CD2 3.4Å; I506-Y510 PolarHBondContact O-N 3.26Å
507	S	89.7	Confident	85.7	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-53.7	-44.9	-179.7	-74.3	0	0	0	0	111.7	G333 P337 A503 L511	G333-S507 PolarHBondContact O-OG 3.17Å; P337-S507 WeakPolarHBondContact CD-OG 3.29Å; P337-S507 WeakPolarHBondContact CG-OG 3.4Å; A503-S507 WeakPolarHBondContact O-CB 3.48Å; A503-S507 PolarHBondContact O-N 2.97Å; A503-S507 PolarHBondContact O-OG 2.87Å; S507-L511 VanDerWaalsContact O-CB 3.24Å; S507-L511 WeakPolarHBondContact O-CB 3.26Å; S507-L511 WeakPolarHBondContact O-CG 3.22Å; S507-L511 PolarHBondContact O-N 3.04Å
508	N	90.4	Very high	86.7	Confident	0 Å²	0	19 Å²	19	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-67.4	-42.6	177.8	-84.5	-78.1	0	0	0	113.3	P504 L505 I506 Y510 A512 M555 M562 T566	P504-N508 WeakPolarHBondContact O-CB 3.4Å; P504-N508 PolarHBondContact O-N 2.97Å; P504-N508 VanDerWaalsContact O-N 3.11Å; P504-N508 PolarHBondContact O-ND2 3.04Å; L505-N508 PolarHBondContact O-N 2.88Å; I506-N508 VanDerWaalsContact C-N 3.28Å; I506-N508 PolarHBondContact O-N 2.87Å; N508-Y510 PolarHBondContact O-N 2.9Å; N508-A512 VanDerWaalsContact O-CB 3.31Å; N508-A512 WeakPolarHBondContact O-CB 3.33Å; N508-A512 PolarHBondContact O-N 3.1Å; N508-M555 HydrophobicContact CB-CE 4.46Å; N508-M555 WeakPolarHBondContact OD1-CB 3.36Å; N508-M555 PolarHBondContact OD1-O 3.35Å; N508-M562 HydrophobicContact CB-CB 4.41Å; N508-M562 WeakPolarHBondContact ND2-CB 3.34Å; N508-T566 HydrophobicContact CB-CG2 3.82Å
509	L	91.5	Very high	87.4	Confident	18 Å²	18	18.2 Å²	18.2	9%	0.094	10%	0.101	C	C	.	.	H	α-helix	trans	-64.5	-40.4	179.3	-67.3	171.7	0	0	0	112.2	I211 A215 L505 I506 S513 T566	I211-L509 HydrophobicContact CG2-CB 4.39Å; I211-L509 HydrophobicContact CG2-CD2 4Å; A215-L509 HydrophobicContact CB-CB 3.77Å; L505-L509 HydrophobicContact CD1-CD1 3.97Å; L505-L509 HydrophobicContact CD1-CG 4.28Å; L505-L509 HydrophobicContact CG-CD1 4.19Å; L505-L509 WeakPolarHBondContact O-CG 3.2Å; L505-L509 PolarHBondContact O-N 3.37Å; L505-L509 VanDerWaalsContact O-N 3.11Å; I506-L509 PolarHBondContact O-N 2.89Å; I506-L509 VanDerWaalsContact O-N 3.15Å; L509-S513 PolarHBondContact O-N 3.35Å; L509-S513 VanDerWaalsContact O-N 3.17Å; L509-S513 PolarHBondContact O-OG 3.49Å; L509-T566 HydrophobicContact CD2-CG2 3.79Å; L509-T566 HydrophobicContact CG-CG2 4.3Å
510	Y	91.6	Very high	88.4	Confident	2 Å²	2	17.4 Å²	17.4	1%	0.008	10%	0.096	C	C	.	.	H	α-helix	trans	-74.4	-41.8	177.3	-85.8	-76.4	0	0	0	113.1	F212 A215 D216 Y219 T340 M343 I506 N508 A512 S513 F514	F212-Y510 HydrophobicContact CD2-CE1 4.38Å; F212-Y510 HydrophobicContact CE2-CE1 4.05Å; A215-Y510 HydrophobicContact CB-CD1 4.33Å; A215-Y510 HydrophobicContact CB-CD2 3.8Å; A215-Y510 HydrophobicContact CB-CE1 4.22Å; A215-Y510 HydrophobicContact CB-CE2 3.66Å; A215-Y510 HydrophobicContact CB-CG 4.15Å; D216-Y510 PolarHBondContact OD1-OH 2.89Å; Y219-Y510 HydrophobicContact CD2-CE2 4.41Å; Y219-Y510 HydrophobicContact CG-CE2 4.36Å; T340-Y510 VanDerWaalsContact CG2-CB 3.43Å; T340-Y510 HydrophobicContact CG2-CD1 4.28Å; T340-Y510 HydrophobicContact CG2-CD2 3.88Å; T340-Y510 HydrophobicContact CG2-CG 3.63Å; M343-Y510 HydrophobicContact CE-CD1 3.4Å; M343-Y510 HydrophobicContact CE-CE1 3.66Å; I506-Y510 HydrophobicContact CG2-CD2 3.64Å; I506-Y510 HydrophobicContact CG2-CE2 3.88Å; I506-Y510 WeakPolarHBondContact O-CD2 3.4Å; I506-Y510 PolarHBondContact O-N 3.26Å; N508-Y510 PolarHBondContact O-N 2.9Å; Y510-A512 VanDerWaalsContact C-N 3.26Å; Y510-A512 PolarHBondContact O-N 3.45Å; Y510-S513 CarbonylContact O-C 3.52Å; Y510-S513 WeakPolarHBondContact O-CA 3.4Å; Y510-S513 WeakPolarHBondContact O-CB 3.38Å; Y510-S513 PolarHBondContact O-N 3.21Å; Y510-F514 VanDerWaalsContact O-CG 3.3Å; Y510-F514 WeakPolarHBondContact O-CG 3.31Å; Y510-F514 PolarHBondContact O-N 2.83Å
511	L	92.9	Very high	89.3	Confident	1 Å²	1	14.2 Å²	14.2	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-61.7	-36.8	175	-75.9	175.5	0	0	0	111.8	I170 L336 S507 S513 F514 A515 C551 A554 M555 L558	I170-L511 HydrophobicContact CG2-CD2 4.4Å; L336-L511 HydrophobicContact CD2-CD1 3.51Å; L336-L511 HydrophobicContact CD2-CD2 3.9Å; L336-L511 HydrophobicContact CD2-CG 3.68Å; S507-L511 VanDerWaalsContact O-CB 3.24Å; S507-L511 WeakPolarHBondContact O-CB 3.26Å; S507-L511 WeakPolarHBondContact O-CG 3.22Å; S507-L511 PolarHBondContact O-N 3.04Å; L511-S513 VanDerWaalsContact C-N 3.33Å; L511-F514 HydrophobicContact CD2-CD2 4.35Å; L511-F514 PolarHBondContact O-N 2.81Å; L511-A515 WeakPolarHBondContact O-CB 3.37Å; L511-A515 PolarHBondContact O-N 3.13Å; L511-C551 HydrophobicContact CD2-CB 4.29Å; L511-A554 HydrophobicContact CD1-CB 3.71Å; L511-A554 HydrophobicContact CD2-CB 4.3Å; L511-M555 HydrophobicContact CB-CG 3.39Å; L511-M555 HydrophobicContact CB-SD 3.99Å; L511-M555 HydrophobicContact CD1-CG 3.77Å; L511-M555 HydrophobicContact CG-CG 4.26Å; L511-L558 HydrophobicContact CD1-CD1 3.85Å
512	A	92.2	Very high	90.2	Very high	4 Å²	4	12.3 Å²	12.3	3%	0.033	6%	0.063	C	C	.	.	H	α-helix	trans	-60.9	-44	171.3	0	0	0	0	0	111.8	N508 Y510 A515 L516 M555 I570	N508-A512 VanDerWaalsContact O-CB 3.31Å; N508-A512 WeakPolarHBondContact O-CB 3.33Å; N508-A512 PolarHBondContact O-N 3.1Å; Y510-A512 VanDerWaalsContact C-N 3.26Å; Y510-A512 PolarHBondContact O-N 3.45Å; A512-A515 PolarHBondContact O-N 3.4Å; A512-L516 WeakPolarHBondContact O-CG 3.45Å; A512-L516 PolarHBondContact O-N 3.13Å; A512-L516 VanDerWaalsContact O-N 3.07Å; A512-M555 HydrophobicContact CB-CE 3.89Å; A512-M555 HydrophobicContact CB-SD 4.01Å; A512-I570 HydrophobicContact CB-CD1 3.79Å
513	S	90.9	Very high	90.7	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-62.7	-42.4	176.7	-56.6	0	0	0	0	111.4	L509 Y510 L511 L516 I517	L509-S513 PolarHBondContact O-N 3.35Å; L509-S513 VanDerWaalsContact O-N 3.17Å; L509-S513 PolarHBondContact O-OG 3.49Å; Y510-S513 CarbonylContact O-C 3.52Å; Y510-S513 WeakPolarHBondContact O-CA 3.4Å; Y510-S513 WeakPolarHBondContact O-CB 3.38Å; Y510-S513 PolarHBondContact O-N 3.21Å; L511-S513 VanDerWaalsContact C-N 3.33Å; S513-L516 PolarHBondContact O-N 3.03Å; S513-I517 WeakPolarHBondContact O-CG1 3.33Å; S513-I517 PolarHBondContact O-N 2.9Å
514	F	93.6	Very high	90.9	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-64.7	-42.5	175.7	-67.1	-10.2	0	0	0	112.5	T171 T174 I342 M343 Y510 L511 L516 I517 N518	T171-F514 HydrophobicContact CG2-CE2 4.15Å; T174-F514 HydrophobicContact CG2-CB 3.79Å; T174-F514 HydrophobicContact CG2-CD1 3.62Å; T174-F514 HydrophobicContact CG2-CD2 4.46Å; T174-F514 HydrophobicContact CG2-CE1 4.23Å; T174-F514 HydrophobicContact CG2-CG 3.73Å; I342-F514 HydrophobicContact CD1-CE1 3.81Å; I342-F514 HydrophobicContact CD1-CE2 4.41Å; I342-F514 HydrophobicContact CD1-CZ 3.71Å; I342-F514 HydrophobicContact CG1-CE1 3.83Å; I342-F514 HydrophobicContact CG1-CZ 3.66Å; M343-F514 HydrophobicContact CE-CD1 3.8Å; M343-F514 HydrophobicContact CE-CE1 3.43Å; M343-F514 VanDerWaalsContact CE-CE1 3.43Å; M343-F514 HydrophobicContact CE-CZ 4.48Å; M343-F514 HydrophobicContact CG-CE1 3.9Å; M343-F514 HydrophobicContact SD-CD1 4.12Å; M343-F514 HydrophobicContact SD-CE1 3.88Å; Y510-F514 VanDerWaalsContact O-CG 3.3Å; Y510-F514 WeakPolarHBondContact O-CG 3.31Å; Y510-F514 PolarHBondContact O-N 2.83Å; L511-F514 HydrophobicContact CD2-CD2 4.35Å; L511-F514 PolarHBondContact O-N 2.81Å; F514-L516 VanDerWaalsContact C-N 3.29Å; F514-L516 PolarHBondContact O-N 3.19Å; F514-I517 PolarHBondContact O-N 3.29Å; F514-N518 WeakPolarHBondContact O-CB 3.47Å; F514-N518 PolarHBondContact O-N 3.07Å; F514-N518 PolarHBondContact O-ND2 3.11Å; F514-N518 VanDerWaalsContact O-ND2 3.16Å
515	A	93.9	Very high	91.4	Very high	9 Å²	9	11.7 Å²	11.7	7%	0.074	6%	0.059	C	C	.	.	H	α-helix	trans	-58.3	-43.6	175.6	0	0	0	0	0	111.3	L511 A512 Y519 C551 I552	L511-A515 WeakPolarHBondContact O-CB 3.37Å; L511-A515 PolarHBondContact O-N 3.13Å; A512-A515 PolarHBondContact O-N 3.4Å; A515-Y519 VanDerWaalsContact O-CB 3.26Å; A515-Y519 WeakPolarHBondContact O-CB 3.29Å; A515-Y519 PolarHBondContact O-N 3.22Å; A515-C551 HydrophobicContact CB-CB 3.82Å; A515-I552 HydrophobicContact CB-CD1 4.5Å; A515-I552 HydrophobicContact CB-CG1 3.96Å
516	L	91.8	Very high	91.6	Very high	25 Å²	25	13.5 Å²	13.5	13%	0.131	7%	0.068	C	C	.	.	H	α-helix	trans	-69.2	-36.8	177.9	-70.1	176.8	0	0	0	113.1	L196 M208 A512 S513 F514 Y519 A520	L196-L516 HydrophobicContact CD1-CB 4.29Å; M208-L516 HydrophobicContact CB-CD1 3.84Å; M208-L516 HydrophobicContact CG-CB 4.3Å; M208-L516 HydrophobicContact CG-CD1 3.82Å; A512-L516 WeakPolarHBondContact O-CG 3.45Å; A512-L516 PolarHBondContact O-N 3.13Å; A512-L516 VanDerWaalsContact O-N 3.07Å; S513-L516 PolarHBondContact O-N 3.03Å; F514-L516 VanDerWaalsContact C-N 3.29Å; F514-L516 PolarHBondContact O-N 3.19Å; L516-Y519 PolarHBondContact O-N 2.89Å; L516-A520 VanDerWaalsContact O-CB 3.26Å; L516-A520 WeakPolarHBondContact O-CB 3.37Å; L516-A520 PolarHBondContact O-N 3.05Å
517	I	92.4	Very high	91.4	Very high	2 Å²	2	13.7 Å²	13.7	1%	0.01	7%	0.07	C	C	.	.	H	α-helix	trans	-62.3	-48.8	174.3	-73.1	168.8	0	0	0	111	T174 M178 L181 A192 L196 M343 S513 F514 A520 C521	T174-I517 HydrophobicContact CG2-CB 4.43Å; T174-I517 HydrophobicContact CG2-CG2 4.14Å; M178-I517 HydrophobicContact CB-CG2 4.2Å; M178-I517 HydrophobicContact CE-CD1 4.08Å; L181-I517 HydrophobicContact CD1-CG2 3.94Å; A192-I517 HydrophobicContact CB-CD1 4.49Å; L196-I517 HydrophobicContact CD1-CG1 4.05Å; L196-I517 HydrophobicContact CD2-CG1 4.41Å; L196-I517 HydrophobicContact CG-CG1 4.44Å; M343-I517 HydrophobicContact SD-CD1 3.42Å; M343-I517 WeakPolarHBondContact SD-CD1 2.94Å; S513-I517 WeakPolarHBondContact O-CG1 3.33Å; S513-I517 PolarHBondContact O-N 2.9Å; F514-I517 PolarHBondContact O-N 3.29Å; I517-A520 PolarHBondContact O-N 3.26Å; I517-C521 PolarHBondContact O-N 2.93Å; I517-C521 VanDerWaalsContact O-N 3.15Å
518	N	95.2	Very high	91	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-62.2	-44.6	177.7	-80.7	-36.2	0	0	0	111.7	L173 T174 S177 F514 A520 C521 F522 S544 A548	L173-N518 PolarHBondContact O-OD1 2.72Å; T174-N518 WeakPolarHBondContact CA-OD1 3.38Å; T174-N518 PolarHBondContact OG1-ND2 3.26Å; S177-N518 WeakPolarHBondContact CB-OD1 3.46Å; S177-N518 PolarHBondContact OG-OD1 2.98Å; F514-N518 WeakPolarHBondContact O-CB 3.47Å; F514-N518 PolarHBondContact O-N 3.07Å; F514-N518 PolarHBondContact O-ND2 3.11Å; F514-N518 VanDerWaalsContact O-ND2 3.16Å; N518-A520 PolarHBondContact O-N 3.14Å; N518-C521 PolarHBondContact O-N 2.89Å; N518-F522 PolarHBondContact O-N 3.03Å; N518-F522 VanDerWaalsContact O-N 3.14Å; N518-S544 WeakPolarHBondContact CB-O 3.22Å; N518-S544 WeakPolarHBondContact O-CB 3.44Å; N518-A548 HydrophobicContact CB-CB 3.76Å
519	Y	93.8	Very high	90.6	Very high	86 Å²	86	23 Å²	23	34%	0.337	12%	0.118	S	C	.	.	H	α-helix	trans	-63.9	-39.6	176.1	179.6	-109.6	0	0	0	112.5	L200 A515 L516 C521 F522 D523	L200-Y519 HydrophobicContact CD1-CD1 4.43Å; A515-Y519 VanDerWaalsContact O-CB 3.26Å; A515-Y519 WeakPolarHBondContact O-CB 3.29Å; A515-Y519 PolarHBondContact O-N 3.22Å; L516-Y519 PolarHBondContact O-N 2.89Å; Y519-C521 VanDerWaalsContact C-N 3.34Å; Y519-C521 PolarHBondContact O-N 3.18Å; Y519-F522 HydrophobicContact CD2-CD1 4.2Å; Y519-F522 HydrophobicContact CE2-CD1 4.17Å; Y519-F522 PolarHBondContact O-N 3.09Å; Y519-D523 HydrophobicContact CE1-CB 4.34Å; Y519-D523 WeakPolarHBondContact O-CB 3.48Å; Y519-D523 PolarHBondContact O-N 3.33Å
520	A	91.1	Very high	90.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-61.7	-40.9	177.3	0	0	0	0	0	112.9	L181 L196 L200 L516 I517 N518 G524	L181-A520 HydrophobicContact CD1-CB 4.25Å; L181-A520 HydrophobicContact CD2-CB 4.18Å; L196-A520 HydrophobicContact CD2-CB 3.32Å; L200-A520 HydrophobicContact CD1-CB 3.61Å; L200-A520 HydrophobicContact CD2-CB 4.24Å; L200-A520 HydrophobicContact CG-CB 3.7Å; L516-A520 VanDerWaalsContact O-CB 3.26Å; L516-A520 WeakPolarHBondContact O-CB 3.37Å; L516-A520 PolarHBondContact O-N 3.05Å; I517-A520 PolarHBondContact O-N 3.26Å; N518-A520 PolarHBondContact O-N 3.14Å; A520-G524 PolarHBondContact O-N 2.89Å
521	C	92.6	Very high	89.5	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-63.7	-42.3	175.1	-179.2	0	0	0	0	111.8	L181 I517 N518 Y519 S525 Y539 S544	L181-C521 HydrophobicContact CG-CB 4.49Å; I517-C521 PolarHBondContact O-N 2.93Å; I517-C521 VanDerWaalsContact O-N 3.15Å; N518-C521 PolarHBondContact O-N 2.89Å; Y519-C521 VanDerWaalsContact C-N 3.34Å; Y519-C521 PolarHBondContact O-N 3.18Å; C521-S525 WeakPolarHBondContact O-CB 3.34Å; C521-S525 PolarHBondContact O-N 3.06Å; C521-S525 PolarHBondContact O-OG 3.33Å; C521-Y539 VanDerWaalsContact SG-CD2 3.53Å; C521-S544 PolarHBondContact SG-OG 3.08Å
522	F	94.6	Very high	89.2	Confident	23 Å²	23	32.3 Å²	32.3	10%	0.101	19%	0.185	C	C	.	.	H	α-helix	trans	-63.6	-52.7	174.9	168.7	-104.2	0	0	0	112.2	N518 Y519 G524 S525 L526 M541 W542 L545	N518-F522 PolarHBondContact O-N 3.03Å; N518-F522 VanDerWaalsContact O-N 3.14Å; Y519-F522 HydrophobicContact CD2-CD1 4.2Å; Y519-F522 HydrophobicContact CE2-CD1 4.17Å; Y519-F522 PolarHBondContact O-N 3.09Å; F522-G524 PolarHBondContact O-N 2.95Å; F522-S525 WeakPolarHBondContact O-CB 3.38Å; F522-S525 PolarHBondContact O-N 3.43Å; F522-L526 HydrophobicContact CE1-CD2 4.1Å; F522-L526 HydrophobicContact CZ-CD2 3.87Å; F522-L526 PolarHBondContact O-N 3.42Å; F522-M541 HydrophobicContact CD2-CB 4.14Å; F522-M541 HydrophobicContact CD2-CG 4.45Å; F522-M541 WeakPolarHBondContact CD2-O 3.48Å; F522-W542 HydrophobicContact CE2-CE3 4.38Å; F522-W542 HydrophobicContact CE2-CZ3 4.24Å; F522-L545 HydrophobicContact CD1-CD1 4.24Å; F522-L545 HydrophobicContact CD2-CB 3.91Å; F522-L545 HydrophobicContact CE1-CD1 4.32Å; F522-L545 HydrophobicContact CE2-CB 4.3Å; F522-L545 HydrophobicContact CE2-CD2 4.08Å; F522-L545 HydrophobicContact CG-CB 4.13Å; F522-L545 HydrophobicContact CG-CD1 4.45Å; F522-L545 HydrophobicContact CZ-CD2 4.15Å
523	D	90.7	Very high	88.9	Confident	16 Å²	16	41.5 Å²	41.5	9%	0.086	22%	0.219	C	C	.	.	H	α-helix	trans	-64.4	-43.1	-175.6	-178.1	60	0	0	0	112.2	L200 Y519 S525 L526 A527 S589 Y593	L200-D523 HydrophobicContact CD2-CB 3.95Å; L200-D523 VanDerWaalsContact CD2-OD2 3.28Å; L200-D523 WeakPolarHBondContact CD2-OD2 3.48Å; Y519-D523 HydrophobicContact CE1-CB 4.34Å; Y519-D523 WeakPolarHBondContact O-CB 3.48Å; Y519-D523 PolarHBondContact O-N 3.33Å; D523-S525 VanDerWaalsContact C-N 3.27Å; D523-S525 PolarHBondContact O-N 2.99Å; D523-L526 PolarHBondContact O-N 3.22Å; D523-A527 WeakPolarHBondContact O-CB 3.41Å; D523-A527 PolarHBondContact O-N 3.46Å; D523-S589 WeakPolarHBondContact OD2-CB 3.36Å; D523-S589 PolarHBondContact OD2-OG 3.45Å; D523-Y593 PolarHBondContact O-OH 3.46Å; D523-Y593 VanDerWaalsContact OD1-CE2 3.28Å; D523-Y593 WeakPolarHBondContact OD1-CE2 3.41Å; D523-Y593 PolarHBondContact OD1-OH 2.95Å; D523-Y593 VanDerWaalsContact OD1-OH 3.08Å
524	G	87.5	Confident	88.8	Confident	5 Å²	5	42.7 Å²	42.7	5%	0.052	23%	0.227	C	C	.	.	H	α-helix	trans	-60.1	-38.5	174.8	0	0	0	0	0	112.5	A520 F522	A520-G524 PolarHBondContact O-N 2.89Å; F522-G524 PolarHBondContact O-N 2.95Å
525	S	89.9	Confident	88.6	Confident	12 Å²	12	46.2 Å²	46.2	8%	0.084	26%	0.256	C	S	.	.	H	α-helix	trans	-70.8	-35.9	176.8	-59.6	0	0	0	0	112.9	C521 F522 D523 W532 Y539	C521-S525 WeakPolarHBondContact O-CB 3.34Å; C521-S525 PolarHBondContact O-N 3.06Å; C521-S525 PolarHBondContact O-OG 3.33Å; F522-S525 WeakPolarHBondContact O-CB 3.38Å; F522-S525 PolarHBondContact O-N 3.43Å; D523-S525 VanDerWaalsContact C-N 3.27Å; D523-S525 PolarHBondContact O-N 2.99Å; S525-W532 PolarHBondContact OG-NE1 2.57Å; S525-Y539 WeakPolarHBondContact OG-CE2 3.32Å
526	L	89.9	Confident	88.4	Confident	80 Å²	80	47.2 Å²	47.2	42%	0.419	26%	0.259	S	S	.	.	H	α-helix	trans	-76.3	-31.3	179.8	-177.7	65	0	0	0	112.6	F522 D523 Q528 Y593	F522-L526 HydrophobicContact CE1-CD2 4.1Å; F522-L526 HydrophobicContact CZ-CD2 3.87Å; F522-L526 PolarHBondContact O-N 3.42Å; D523-L526 PolarHBondContact O-N 3.22Å; L526-Q528 PolarHBondContact O-N 2.98Å; L526-Y593 VanDerWaalsContact CB-OH 3.31Å; L526-Y593 WeakPolarHBondContact CB-OH 3.33Å; L526-Y593 WeakPolarHBondContact CD2-OH 3.35Å; L526-Y593 HydrophobicContact CG-CE1 4.33Å; L526-Y593 VanDerWaalsContact CG-OH 3.31Å; L526-Y593 WeakPolarHBondContact CG-OH 3.22Å
527	A	83.9	Confident	88.2	Confident	4 Å²	4	54.9 Å²	54.9	3%	0.033	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-19.1	179.3	0	0	0	0	0	113.5	D523 S529 A592 Y593	D523-A527 WeakPolarHBondContact O-CB 3.41Å; D523-A527 PolarHBondContact O-N 3.46Å; A527-S529 PolarHBondContact O-N 3.28Å; A527-A592 HydrophobicContact CB-CB 4.43Å; A527-Y593 HydrophobicContact CB-CE1 4.34Å; A527-Y593 HydrophobicContact CB-CE2 3.99Å; A527-Y593 PolarHBondContact N-OH 3.34Å
528	Q	80.7	Confident	88	Confident	155 Å²	155	63.8 Å²	63.8	72%	0.724	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	31.1	-179.9	-64.8	-175.8	-27	0	0	113.5	L526	L526-Q528 PolarHBondContact O-N 2.98Å
529	S	82.1	Confident	87.8	Confident	41 Å²	41	66.6 Å²	66.6	29%	0.287	34%	0.337	S	S	.	.			trans	-72.1	139.9	177.2	76.3	0	0	0	0	109.8	A527 G531 W532	A527-S529 PolarHBondContact O-N 3.28Å; S529-G531 PolarHBondContact O-N 3.27Å; S529-W532 PolarHBondContact O-N 2.91Å
530	P	81.4	Confident	87.9	Confident	132 Å²	132	66.1 Å²	66.1	86%	0.857	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-21	177.5	-26.4	34.7	0	0	0	114.3	W532	P530-W532 VanDerWaalsContact C-N 3.29Å
531	G	79.1	Confident	88	Confident	52 Å²	52	69.1 Å²	69.1	54%	0.536	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-18.9	175.8	0	0	0	0	0	113.9	N184 S529 R533	N184-G531 PolarHBondContact OD1-O 2.78Å; N184-G531 VanDerWaalsContact OD1-O 3.13Å; S529-G531 PolarHBondContact O-N 3.27Å; G531-R533 PolarHBondContact O-N 3.18Å
532	W	85.9	Confident	88.2	Confident	33 Å²	33	77 Å²	77	13%	0.125	38%	0.384	C	S	.	.			trans	-84.7	99.9	175.6	-176.4	-97.8	0	0	0	110.5	L181 N184 S525 S529 P530 P534 Y539	L181-W532 HydrophobicContact CD2-CH2 3.7Å; L181-W532 HydrophobicContact CD2-CZ3 3.78Å; L181-W532 HydrophobicContact CG-CH2 4.36Å; N184-W532 HydrophobicContact CB-CE3 4.45Å; N184-W532 HydrophobicContact CB-CZ3 4.29Å; N184-W532 WeakPolarHBondContact OD1-CA 3.42Å; S525-W532 PolarHBondContact OG-NE1 2.57Å; S529-W532 PolarHBondContact O-N 2.91Å; P530-W532 VanDerWaalsContact C-N 3.29Å; W532-P534 HydrophobicContact CZ2-CG 4.17Å; W532-Y539 HydrophobicContact CZ2-CE2 4.46Å; W532-Y539 PolarHBondContact NE1-OH 2.88Å
533	R	87	Confident	88.2	Confident	196 Å²	196	79.7 Å²	79.7	74%	0.74	40%	0.4	S	S	*	.			trans	-141.4	61.1	-176.6	53.5	174	-178.5	-177.9	1	112.2	N184 G531 A535	N184-R533 PolarHBondContact OD1-N 3.42Å; G531-R533 PolarHBondContact O-N 3.18Å; R533-A535 PolarHBondContact O-N 3.4Å
534	P	88.9	Confident	88.4	Confident	25 Å²	25	79.1 Å²	79.1	16%	0.162	40%	0.397	C	S	.	.			trans	-60.3	129	178.7	25.6	-34	0	0	0	111.1	A180 W532 F536 Y539	A180-P534 HydrophobicContact CB-CB 4.24Å; A180-P534 WeakPolarHBondContact O-CB 3.47Å; W532-P534 HydrophobicContact CZ2-CG 4.17Å; P534-F536 VanDerWaalsContact C-N 3.33Å; P534-Y539 HydrophobicContact CB-CE1 4.01Å; P534-Y539 HydrophobicContact CG-CD1 4.39Å; P534-Y539 HydrophobicContact CG-CE1 3.39Å; P534-Y539 WeakPolarHBondContact CG-OH 3.31Å
535	A	87.9	Confident	88.9	Confident	75 Å²	75	81.1 Å²	81.1	62%	0.62	41%	0.406	S	S	*	.			trans	-76.8	-22.1	175	0	0	0	0	0	112.6	T183 R533 K537	T183-A535 HydrophobicContact CG2-CB 4.46Å; T183-A535 PolarHBondContact OG1-N 3.14Å; R533-A535 PolarHBondContact O-N 3.4Å; A535-K537 PolarHBondContact O-N 2.89Å
536	F	90	Very high	89.2	Confident	29 Å²	29	84.5 Å²	84.5	13%	0.127	42%	0.423	C	S	.	.			trans	-71.8	124.6	177.3	-172.2	-104.7	0	0	0	110.8	L176 C179 T183 P360 L364 P534 Y538 Y539	L176-F536 HydrophobicContact CD2-CE1 3.74Å; L176-F536 HydrophobicContact CD2-CZ 3.79Å; C179-F536 HydrophobicContact CB-CB 4.37Å; C179-F536 HydrophobicContact CB-CD1 3.6Å; C179-F536 HydrophobicContact CB-CD2 3.88Å; C179-F536 HydrophobicContact CB-CE1 3.7Å; C179-F536 HydrophobicContact CB-CE2 3.98Å; C179-F536 HydrophobicContact CB-CG 3.68Å; C179-F536 HydrophobicContact CB-CZ 3.89Å; T183-F536 HydrophobicContact CG2-CB 4Å; T183-F536 VanDerWaalsContact OG1-CB 3.32Å; T183-F536 WeakPolarHBondContact OG1-CB 3.36Å; T183-F536 PolarHBondContact OG1-N 3.47Å; T183-F536 VanDerWaalsContact OG1-N 3.07Å; P360-F536 HydrophobicContact CB-CD2 4.36Å; P360-F536 HydrophobicContact CB-CE2 4.31Å; L364-F536 HydrophobicContact CD1-CE2 4.3Å; L364-F536 HydrophobicContact CD1-CZ 4.07Å; P534-F536 VanDerWaalsContact C-N 3.33Å; F536-Y538 HydrophobicContact CE2-CD2 4.17Å; F536-Y538 HydrophobicContact CZ-CD2 4.09Å; F536-Y538 HydrophobicContact CZ-CG 4.44Å; F536-Y539 VanDerWaalsContact O-CD1 3.24Å; F536-Y539 WeakPolarHBondContact O-CD1 3.36Å
537	K	88	Confident	89.5	Confident	187 Å²	187	80.7 Å²	80.7	81%	0.813	40%	0.403	S	S	*	.			trans	-91.4	-20.6	-171.4	-62.7	-176.6	-179.9	-178.7	0	114.9	A535 Y539	A535-K537 PolarHBondContact O-N 2.89Å; K537-Y539 VanDerWaalsContact C-N 3.29Å; K537-Y539 PolarHBondContact O-N 3.21Å
538	Y	88.3	Confident	90.1	Very high	189 Å²	189	80.7 Å²	80.7	74%	0.741	40%	0.403	S	S	*	.	S	Bend	trans	-92.2	24	-170.3	-57.7	-74.5	0	0	0	113.9	F536	F536-Y538 HydrophobicContact CE2-CD2 4.17Å; F536-Y538 HydrophobicContact CZ-CD2 4.09Å; F536-Y538 HydrophobicContact CZ-CG 4.44Å
539	Y	91.7	Very high	90.9	Very high	59 Å²	59	78.1 Å²	78.1	23%	0.231	39%	0.394	C	S	.	.			trans	-103	156.3	173.7	88.9	-79.8	0	0	0	110.5	A180 C521 S525 W532 P534 F536 K537	A180-Y539 HydrophobicContact CB-CD1 3.82Å; A180-Y539 HydrophobicContact CB-CD2 3.91Å; A180-Y539 HydrophobicContact CB-CE1 4.36Å; A180-Y539 HydrophobicContact CB-CE2 4.45Å; A180-Y539 HydrophobicContact CB-CG 3.57Å; C521-Y539 VanDerWaalsContact SG-CD2 3.53Å; S525-Y539 WeakPolarHBondContact OG-CE2 3.32Å; W532-Y539 HydrophobicContact CZ2-CE2 4.46Å; W532-Y539 PolarHBondContact NE1-OH 2.88Å; P534-Y539 HydrophobicContact CB-CE1 4.01Å; P534-Y539 HydrophobicContact CG-CD1 4.39Å; P534-Y539 HydrophobicContact CG-CE1 3.39Å; P534-Y539 WeakPolarHBondContact CG-OH 3.31Å; F536-Y539 VanDerWaalsContact O-CD1 3.24Å; F536-Y539 WeakPolarHBondContact O-CD1 3.36Å; K537-Y539 VanDerWaalsContact C-N 3.29Å; K537-Y539 PolarHBondContact O-N 3.21Å
540	N	93.9	Very high	91.5	Very high	76 Å²	76	78.2 Å²	78.2	41%	0.406	39%	0.391	S	S	.	.			trans	-139.1	137.1	173.3	-175.6	-51.3	0	0	0	109.1	W542 L543 S544	N540-W542 VanDerWaalsContact C-N 3.29Å; N540-W542 PolarHBondContact O-N 2.99Å; N540-W542 PolarHBondContact OD1-N 3.39Å; N540-L543 HydrophobicContact CB-CB 4.11Å; N540-L543 HydrophobicContact CB-CD1 3.95Å; N540-L543 HydrophobicContact CB-CG 3.99Å; N540-L543 PolarHBondContact O-N 3.34Å; N540-S544 PolarHBondContact O-N 3.2Å; N540-S544 PolarHBondContact O-OG 2.86Å
541	M	93.6	Very high	92.1	Very high	62 Å²	62	71.9 Å²	71.9	31%	0.305	35%	0.35	S	S	.	.	H	α-helix	trans	-59.4	-39.4	-178.4	76.9	176.1	75	0	0	112.3	F522 S544 L545	F522-M541 HydrophobicContact CD2-CB 4.14Å; F522-M541 HydrophobicContact CD2-CG 4.45Å; F522-M541 WeakPolarHBondContact CD2-O 3.48Å; M541-S544 WeakPolarHBondContact O-CB 3.35Å; M541-S544 PolarHBondContact O-N 3.22Å; M541-L545 PolarHBondContact O-N 3.29Å
542	W	96.4	Very high	92.9	Very high	165 Å²	165	73.1 Å²	73.1	63%	0.625	34%	0.343	S	S	*	.	H	α-helix	trans	-75.7	-35.3	-176.5	-61.2	110.5	0	0	0	112.2	F522 N540 S544 L545 L546	F522-W542 HydrophobicContact CE2-CE3 4.38Å; F522-W542 HydrophobicContact CE2-CZ3 4.24Å; N540-W542 VanDerWaalsContact C-N 3.29Å; N540-W542 PolarHBondContact O-N 2.99Å; N540-W542 PolarHBondContact OD1-N 3.39Å; W542-S544 VanDerWaalsContact C-N 3.27Å; W542-S544 PolarHBondContact O-N 2.99Å; W542-L545 HydrophobicContact CE3-CD2 4.06Å; W542-L545 HydrophobicContact CZ3-CD2 4.11Å; W542-L545 PolarHBondContact O-N 3.48Å; W542-L546 WeakPolarHBondContact O-CB 3.37Å; W542-L546 PolarHBondContact O-N 3.07Å
543	L	95.3	Very high	93.2	Very high	81 Å²	81	73.7 Å²	73.7	42%	0.424	36%	0.355	S	S	.	.	H	α-helix	trans	-65.9	-34.6	171.2	-68.1	-178.8	0	0	0	111.3	L173 N540 L546 G547	L173-L543 HydrophobicContact CD2-CB 4.14Å; N540-L543 HydrophobicContact CB-CB 4.11Å; N540-L543 HydrophobicContact CB-CD1 3.95Å; N540-L543 HydrophobicContact CB-CG 3.99Å; N540-L543 PolarHBondContact O-N 3.34Å; L543-L546 HydrophobicContact CD2-CD2 4.48Å; L543-L546 PolarHBondContact O-N 2.88Å; L543-G547 PolarHBondContact O-N 2.87Å
544	S	95.6	Very high	93.4	Very high	3 Å²	3	64.5 Å²	64.5	2%	0.021	32%	0.321	C	S	.	.	H	α-helix	trans	-65.3	-45.1	173.5	-48.8	0	0	0	0	110.2	S177 N518 C521 N540 M541 W542 L546 G547 A548	S177-S544 PolarHBondContact OG-OG 3.08Å; N518-S544 WeakPolarHBondContact CB-O 3.22Å; N518-S544 WeakPolarHBondContact O-CB 3.44Å; C521-S544 PolarHBondContact SG-OG 3.08Å; N540-S544 PolarHBondContact O-N 3.2Å; N540-S544 PolarHBondContact O-OG 2.86Å; M541-S544 WeakPolarHBondContact O-CB 3.35Å; M541-S544 PolarHBondContact O-N 3.22Å; W542-S544 VanDerWaalsContact C-N 3.27Å; W542-S544 PolarHBondContact O-N 2.99Å; S544-L546 PolarHBondContact O-N 3.31Å; S544-G547 PolarHBondContact O-N 3.04Å; S544-A548 PolarHBondContact O-N 3.36Å
545	L	96.8	Very high	93.6	Very high	47 Å²	47	64 Å²	64	25%	0.246	32%	0.317	C	S	.	.	H	α-helix	trans	-60.4	-45.4	174.3	-178.2	62.6	0	0	0	112.3	F522 M541 W542 G547 A548 L549	F522-L545 HydrophobicContact CD1-CD1 4.24Å; F522-L545 HydrophobicContact CD2-CB 3.91Å; F522-L545 HydrophobicContact CE1-CD1 4.32Å; F522-L545 HydrophobicContact CE2-CB 4.3Å; F522-L545 HydrophobicContact CE2-CD2 4.08Å; F522-L545 HydrophobicContact CG-CB 4.13Å; F522-L545 HydrophobicContact CG-CD1 4.45Å; F522-L545 HydrophobicContact CZ-CD2 4.15Å; M541-L545 PolarHBondContact O-N 3.29Å; W542-L545 HydrophobicContact CE3-CD2 4.06Å; W542-L545 HydrophobicContact CZ3-CD2 4.11Å; W542-L545 PolarHBondContact O-N 3.48Å; L545-G547 VanDerWaalsContact C-N 3.31Å; L545-G547 PolarHBondContact O-N 2.88Å; L545-A548 WeakPolarHBondContact O-CB 3.24Å; L545-A548 PolarHBondContact O-N 2.88Å; L545-L549 HydrophobicContact CG-CD1 4.33Å; L545-L549 WeakPolarHBondContact O-CG 3.31Å; L545-L549 PolarHBondContact O-N 3.48Å
546	L	96.8	Very high	93.8	Very high	83 Å²	83	65 Å²	65	44%	0.435	31%	0.308	S	S	.	.	H	α-helix	trans	-57.6	-45.5	174.8	178.5	65	0	0	0	111	W542 L543 S544 A548 L549 L550	W542-L546 WeakPolarHBondContact O-CB 3.37Å; W542-L546 PolarHBondContact O-N 3.07Å; L543-L546 HydrophobicContact CD2-CD2 4.48Å; L543-L546 PolarHBondContact O-N 2.88Å; S544-L546 PolarHBondContact O-N 3.31Å; L546-A548 VanDerWaalsContact C-N 3.32Å; L546-A548 PolarHBondContact O-N 3.34Å; L546-L549 PolarHBondContact O-N 3.4Å; L546-L550 HydrophobicContact CD1-CD1 4.32Å; L546-L550 HydrophobicContact CD1-CG 4.22Å; L546-L550 HydrophobicContact CG-CD1 4.03Å; L546-L550 HydrophobicContact CG-CG 4.34Å; L546-L550 WeakPolarHBondContact O-CB 3.35Å; L546-L550 VanDerWaalsContact O-CG 3.31Å; L546-L550 WeakPolarHBondContact O-CG 3.34Å; L546-L550 PolarHBondContact O-N 3.37Å
547	G	96.2	Very high	93.7	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-58.1	-42.2	175.6	0	0	0	0	0	112.7	L543 S544 L545 L550 C551	L543-G547 PolarHBondContact O-N 2.87Å; S544-G547 PolarHBondContact O-N 3.04Å; L545-G547 VanDerWaalsContact C-N 3.31Å; L545-G547 PolarHBondContact O-N 2.88Å; G547-L550 PolarHBondContact O-N 2.94Å; G547-C551 PolarHBondContact O-N 3.43Å; G547-C551 PolarHBondContact O-SG 2.96Å
548	A	96.1	Very high	93.6	Very high	5 Å²	5	60.4 Å²	60.4	4%	0.041	29%	0.292	C	S	.	.	H	α-helix	trans	-63.4	-45.9	176	0	0	0	0	0	112.1	N518 S544 L545 L546 C551 I552	N518-A548 HydrophobicContact CB-CB 3.76Å; S544-A548 PolarHBondContact O-N 3.36Å; L545-A548 WeakPolarHBondContact O-CB 3.24Å; L545-A548 PolarHBondContact O-N 2.88Å; L546-A548 VanDerWaalsContact C-N 3.32Å; L546-A548 PolarHBondContact O-N 3.34Å; A548-C551 PolarHBondContact O-N 3.19Å; A548-I552 WeakPolarHBondContact O-CG1 3.35Å; A548-I552 PolarHBondContact O-N 2.98Å
549	L	97.1	Very high	93.5	Very high	101 Å²	101	53 Å²	53	53%	0.529	27%	0.268	S	S	.	.	H	α-helix	trans	-64.7	-40.9	178.5	-67.3	175.5	0	0	0	112.2	L545 L546 C551 I552 A553	L545-L549 HydrophobicContact CG-CD1 4.33Å; L545-L549 WeakPolarHBondContact O-CG 3.31Å; L545-L549 PolarHBondContact O-N 3.48Å; L546-L549 PolarHBondContact O-N 3.4Å; L549-C551 VanDerWaalsContact C-N 3.35Å; L549-I552 PolarHBondContact O-N 3.5Å; L549-A553 WeakPolarHBondContact O-CB 3.22Å; L549-A553 PolarHBondContact O-N 2.81Å
550	L	95.4	Very high	93.4	Very high	42 Å²	42	58.9 Å²	58.9	22%	0.22	29%	0.29	C	S	.	.	H	α-helix	trans	-63	-40.6	175	-72.5	175.8	0	0	0	111.7	L173 L546 G547 A553 A554	L173-L550 HydrophobicContact CD1-CD1 4.12Å; L546-L550 HydrophobicContact CD1-CD1 4.32Å; L546-L550 HydrophobicContact CD1-CG 4.22Å; L546-L550 HydrophobicContact CG-CD1 4.03Å; L546-L550 HydrophobicContact CG-CG 4.34Å; L546-L550 WeakPolarHBondContact O-CB 3.35Å; L546-L550 VanDerWaalsContact O-CG 3.31Å; L546-L550 WeakPolarHBondContact O-CG 3.34Å; L546-L550 PolarHBondContact O-N 3.37Å; G547-L550 PolarHBondContact O-N 2.94Å; L550-A553 PolarHBondContact O-N 3.42Å; L550-A554 VanDerWaalsContact O-CB 3.26Å; L550-A554 WeakPolarHBondContact O-CB 3.41Å; L550-A554 PolarHBondContact O-N 3.38Å
551	C	94.8	Very high	93.2	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-63.2	-45.4	175.8	-67.8	0	0	0	0	111.6	L511 A515 G547 A548 L549 A554 M555	L511-C551 HydrophobicContact CD2-CB 4.29Å; A515-C551 HydrophobicContact CB-CB 3.82Å; G547-C551 PolarHBondContact O-N 3.43Å; G547-C551 PolarHBondContact O-SG 2.96Å; A548-C551 PolarHBondContact O-N 3.19Å; L549-C551 VanDerWaalsContact C-N 3.35Å; C551-A554 PolarHBondContact O-N 3.23Å; C551-M555 WeakPolarHBondContact O-CG 3.45Å; C551-M555 PolarHBondContact O-N 3.05Å
552	I	94.6	Very high	92.9	Very high	77 Å²	77	56.2 Å²	56.2	40%	0.395	28%	0.282	S	S	.	.	H	α-helix	trans	-63.7	-46.1	177.6	-66.7	167.1	0	0	0	110.5	A515 A548 L549 A554 M555 F556	A515-I552 HydrophobicContact CB-CD1 4.5Å; A515-I552 HydrophobicContact CB-CG1 3.96Å; A548-I552 WeakPolarHBondContact O-CG1 3.35Å; A548-I552 PolarHBondContact O-N 2.98Å; L549-I552 PolarHBondContact O-N 3.5Å; I552-A554 VanDerWaalsContact C-N 3.32Å; I552-A554 PolarHBondContact O-N 3.43Å; I552-M555 WeakPolarHBondContact O-CB 3.47Å; I552-M555 PolarHBondContact O-N 3.02Å; I552-F556 HydrophobicContact CG2-CD2 4.18Å; I552-F556 HydrophobicContact CG2-CE2 4.13Å; I552-F556 WeakPolarHBondContact O-CD2 3.44Å; I552-F556 PolarHBondContact O-N 3.28Å
553	A	93.6	Very high	92.6	Very high	46 Å²	46	48.4 Å²	48.4	38%	0.38	25%	0.252	S	S	.	.	H	α-helix	trans	-59.1	-44.6	176.7	0	0	0	0	0	111.3	L549 L550 M555 F556 I557	L549-A553 WeakPolarHBondContact O-CB 3.22Å; L549-A553 PolarHBondContact O-N 2.81Å; L550-A553 PolarHBondContact O-N 3.42Å; A553-M555 VanDerWaalsContact C-N 3.33Å; A553-M555 PolarHBondContact O-N 3.3Å; A553-F556 PolarHBondContact O-N 3.42Å; A553-I557 WeakPolarHBondContact O-CB 3.42Å; A553-I557 WeakPolarHBondContact O-CD1 3.43Å; A553-I557 WeakPolarHBondContact O-CG1 3.21Å; A553-I557 PolarHBondContact O-N 3.29Å
554	A	91.3	Very high	92.5	Very high	3 Å²	3	48.8 Å²	48.8	3%	0.025	25%	0.254	C	S	.	.	H	α-helix	trans	-59.6	-40.4	176.2	0	0	0	0	0	112.3	I170 F332 L511 L550 C551 I552 F556 I557 L558	I170-A554 HydrophobicContact CD1-CB 4.48Å; F332-A554 HydrophobicContact CE1-CB 4.23Å; L511-A554 HydrophobicContact CD1-CB 3.71Å; L511-A554 HydrophobicContact CD2-CB 4.3Å; L550-A554 VanDerWaalsContact O-CB 3.26Å; L550-A554 WeakPolarHBondContact O-CB 3.41Å; L550-A554 PolarHBondContact O-N 3.38Å; C551-A554 PolarHBondContact O-N 3.23Å; I552-A554 VanDerWaalsContact C-N 3.32Å; I552-A554 PolarHBondContact O-N 3.43Å; A554-F556 PolarHBondContact O-N 3.22Å; A554-I557 PolarHBondContact O-N 2.87Å; A554-L558 WeakPolarHBondContact O-CB 3.4Å; A554-L558 WeakPolarHBondContact O-CG 3.34Å; A554-L558 PolarHBondContact O-N 3.36Å
555	M	91.5	Very high	92.3	Very high	13 Å²	13	52.5 Å²	52.5	6%	0.064	28%	0.277	C	S	.	.	H	α-helix	trans	-56.8	-49	176.2	-71.1	173.1	67.2	0	0	112.1	N508 L511 A512 C551 I552 A553 L558 S559 A563 T566	N508-M555 HydrophobicContact CB-CE 4.46Å; N508-M555 WeakPolarHBondContact OD1-CB 3.36Å; N508-M555 PolarHBondContact OD1-O 3.35Å; L511-M555 HydrophobicContact CB-CG 3.39Å; L511-M555 HydrophobicContact CB-SD 3.99Å; L511-M555 HydrophobicContact CD1-CG 3.77Å; L511-M555 HydrophobicContact CG-CG 4.26Å; A512-M555 HydrophobicContact CB-CE 3.89Å; A512-M555 HydrophobicContact CB-SD 4.01Å; C551-M555 WeakPolarHBondContact O-CG 3.45Å; C551-M555 PolarHBondContact O-N 3.05Å; I552-M555 WeakPolarHBondContact O-CB 3.47Å; I552-M555 PolarHBondContact O-N 3.02Å; A553-M555 VanDerWaalsContact C-N 3.33Å; A553-M555 PolarHBondContact O-N 3.3Å; M555-L558 PolarHBondContact O-N 2.94Å; M555-S559 CarbonylContact O-C 3.52Å; M555-S559 PolarHBondContact O-N 2.78Å; M555-S559 VanDerWaalsContact O-N 3.11Å; M555-A563 HydrophobicContact CB-CB 4.02Å; M555-T566 WeakPolarHBondContact CE-OG1 3.26Å
556	F	92.1	Very high	91.9	Very high	98 Å²	98	50.6 Å²	50.6	43%	0.43	27%	0.267	S	S	.	.	H	α-helix	trans	-69.2	-36.3	-179.7	-80.8	-82.7	0	0	0	113.1	I552 A553 A554 W560 A563 L564	I552-F556 HydrophobicContact CG2-CD2 4.18Å; I552-F556 HydrophobicContact CG2-CE2 4.13Å; I552-F556 WeakPolarHBondContact O-CD2 3.44Å; I552-F556 PolarHBondContact O-N 3.28Å; A553-F556 PolarHBondContact O-N 3.42Å; A554-F556 PolarHBondContact O-N 3.22Å; F556-W560 HydrophobicContact CD1-CB 4.16Å; F556-W560 PolarHBondContact O-N 3.19Å; F556-A563 HydrophobicContact CD1-CB 4.06Å; F556-A563 HydrophobicContact CD2-CB 4.31Å; F556-A563 HydrophobicContact CE1-CB 4.14Å; F556-A563 HydrophobicContact CE2-CB 4.38Å; F556-A563 HydrophobicContact CG-CB 4.15Å; F556-A563 HydrophobicContact CZ-CB 4.3Å; F556-L564 HydrophobicContact CE1-CD2 4.17Å; F556-L564 HydrophobicContact CE1-CG 4.47Å; F556-L564 HydrophobicContact CZ-CD2 4.4Å
557	I	88.7	Confident	91.6	Very high	88 Å²	88	48.9 Å²	48.9	45%	0.451	27%	0.265	S	S	.	.	H	α-helix	trans	-65.4	-40.5	177	-72	167.4	0	0	0	110.9	F329 A553 A554	F329-I557 HydrophobicContact CB-CG2 4.23Å; F329-I557 HydrophobicContact CD1-CG2 3.08Å; F329-I557 HydrophobicContact CE1-CG2 3.39Å; F329-I557 HydrophobicContact CG-CG2 3.71Å; F329-I557 HydrophobicContact CZ-CG2 4.24Å; A553-I557 WeakPolarHBondContact O-CB 3.42Å; A553-I557 WeakPolarHBondContact O-CD1 3.43Å; A553-I557 WeakPolarHBondContact O-CG1 3.21Å; A553-I557 PolarHBondContact O-N 3.29Å; A554-I557 PolarHBondContact O-N 2.87Å
558	L	85.4	Confident	91.5	Very high	30 Å²	30	51.4 Å²	51.4	16%	0.157	29%	0.286	C	S	.	.	H	α-helix	trans	-70.6	-51.8	-179.5	-72.1	-179.4	0	0	0	112.6	F329 F332 L336 L511 A554 M555	F329-L558 WeakPolarHBondContact O-CD2 3.42Å; F332-L558 HydrophobicContact CD1-CD2 3.53Å; F332-L558 HydrophobicContact CD1-CG 4.24Å; F332-L558 HydrophobicContact CE1-CD1 4.49Å; F332-L558 HydrophobicContact CE1-CD2 4.09Å; F332-L558 HydrophobicContact CE1-CG 4.33Å; F332-L558 HydrophobicContact CG-CD2 4.35Å; L336-L558 HydrophobicContact CD2-CD1 3.6Å; L511-L558 HydrophobicContact CD1-CD1 3.85Å; A554-L558 WeakPolarHBondContact O-CB 3.4Å; A554-L558 WeakPolarHBondContact O-CG 3.34Å; A554-L558 PolarHBondContact O-N 3.36Å; M555-L558 PolarHBondContact O-N 2.94Å
559	S	87	Confident	91.3	Very high	34 Å²	34	54 Å²	54	24%	0.238	30%	0.301	C	S	.	.	H	α-helix	trans	-161.8	100.9	176.4	177.5	0	0	0	0	109.4	M555 G561 M562 A563	M555-S559 CarbonylContact O-C 3.52Å; M555-S559 PolarHBondContact O-N 2.78Å; M555-S559 VanDerWaalsContact O-N 3.11Å; S559-G561 PolarHBondContact O-N 3.24Å; S559-M562 PolarHBondContact O-N 2.99Å; S559-M562 WeakPolarHBondContact OG-CG 3.26Å; S559-M562 PolarHBondContact OG-N 2.85Å; S559-A563 WeakPolarHBondContact O-CB 3.38Å; S559-A563 PolarHBondContact O-N 3.33Å
560	W	89.5	Confident	91	Very high	183 Å²	183	50.8 Å²	50.8	69%	0.693	28%	0.284	S	S	*	.	H	α-helix	trans	-56.8	-35.6	177.8	70	-88.8	0	0	0	112.3	F556 A563 L564	F556-W560 HydrophobicContact CD1-CB 4.16Å; F556-W560 PolarHBondContact O-N 3.19Å; W560-A563 PolarHBondContact O-N 2.96Å; W560-L564 HydrophobicContact CE3-CD1 3.77Å; W560-L564 HydrophobicContact CZ3-CD1 3.87Å; W560-L564 WeakPolarHBondContact O-CG 3.36Å; W560-L564 PolarHBondContact O-N 3.43Å
561	G	89.5	Confident	90.8	Very high	27 Å²	27	52 Å²	52	28%	0.278	30%	0.296	S	S	.	.	H	α-helix	trans	-62.9	-49.2	176.8	0	0	0	0	0	112.3	S559 A563 L564 V565	S559-G561 PolarHBondContact O-N 3.24Å; G561-A563 VanDerWaalsContact C-N 3.34Å; G561-L564 PolarHBondContact O-N 3.44Å; G561-V565 WeakPolarHBondContact O-CG2 3.4Å; G561-V565 PolarHBondContact O-N 2.94Å; G561-V565 VanDerWaalsContact O-N 3.09Å
562	M	87.6	Confident	90.7	Very high	54 Å²	54	56.6 Å²	56.6	27%	0.266	33%	0.325	S	S	.	.	H	α-helix	trans	-69.5	-32.7	177.5	-64.5	-55.3	-68.3	0	0	112.4	L505 N508 S559 L564 V565 T566	L505-M562 HydrophobicContact CB-CE 3.96Å; L505-M562 HydrophobicContact CD1-CE 3.47Å; L505-M562 VanDerWaalsContact CD1-CE 3.47Å; L505-M562 HydrophobicContact CG-CE 4.29Å; N508-M562 HydrophobicContact CB-CB 4.41Å; N508-M562 WeakPolarHBondContact ND2-CB 3.34Å; S559-M562 PolarHBondContact O-N 2.99Å; S559-M562 WeakPolarHBondContact OG-CG 3.26Å; S559-M562 PolarHBondContact OG-N 2.85Å; M562-L564 VanDerWaalsContact C-N 3.33Å; M562-L564 PolarHBondContact O-N 3.44Å; M562-V565 PolarHBondContact O-N 3Å; M562-T566 WeakPolarHBondContact O-CB 3.42Å; M562-T566 WeakPolarHBondContact O-CG2 3.48Å; M562-T566 PolarHBondContact O-N 3.45Å; M562-T566 PolarHBondContact O-OG1 3.33Å
563	A	90.9	Very high	90.6	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.008	31%	0.314	C	S	.	.	H	α-helix	trans	-60.6	-42.4	173.1	0	0	0	0	0	111.4	M555 F556 S559 W560 G561 T566 A567	M555-A563 HydrophobicContact CB-CB 4.02Å; F556-A563 HydrophobicContact CD1-CB 4.06Å; F556-A563 HydrophobicContact CD2-CB 4.31Å; F556-A563 HydrophobicContact CE1-CB 4.14Å; F556-A563 HydrophobicContact CE2-CB 4.38Å; F556-A563 HydrophobicContact CG-CB 4.15Å; F556-A563 HydrophobicContact CZ-CB 4.3Å; S559-A563 WeakPolarHBondContact O-CB 3.38Å; S559-A563 PolarHBondContact O-N 3.33Å; W560-A563 PolarHBondContact O-N 2.96Å; G561-A563 VanDerWaalsContact C-N 3.34Å; A563-T566 WeakPolarHBondContact CA-OG1 3.39Å; A563-T566 PolarHBondContact O-OG1 3.04Å; A563-A567 VanDerWaalsContact O-CB 3.22Å; A563-A567 WeakPolarHBondContact O-CB 3.4Å; A563-A567 PolarHBondContact O-N 3.39Å
564	L	92.9	Very high	90.4	Very high	89 Å²	89	55.7 Å²	55.7	47%	0.466	31%	0.309	S	S	.	.	H	α-helix	trans	-67.2	-42.3	175.5	-69.5	177.1	0	0	0	112.4	F556 W560 G561 M562 A567 A568	F556-L564 HydrophobicContact CE1-CD2 4.17Å; F556-L564 HydrophobicContact CE1-CG 4.47Å; F556-L564 HydrophobicContact CZ-CD2 4.4Å; W560-L564 HydrophobicContact CE3-CD1 3.77Å; W560-L564 HydrophobicContact CZ3-CD1 3.87Å; W560-L564 WeakPolarHBondContact O-CG 3.36Å; W560-L564 PolarHBondContact O-N 3.43Å; G561-L564 PolarHBondContact O-N 3.44Å; M562-L564 VanDerWaalsContact C-N 3.33Å; M562-L564 PolarHBondContact O-N 3.44Å; L564-A567 PolarHBondContact O-N 2.82Å; L564-A568 VanDerWaalsContact O-CB 3.32Å; L564-A568 WeakPolarHBondContact O-CB 3.4Å; L564-A568 PolarHBondContact O-N 3.42Å
565	V	90.7	Very high	90.4	Very high	82 Å²	82	58.4 Å²	58.4	50%	0.497	33%	0.325	S	S	.	.	H	α-helix	trans	-61.6	-48.6	176.8	172.3	0	0	0	0	110.7	G561 M562 A568 V569	G561-V565 WeakPolarHBondContact O-CG2 3.4Å; G561-V565 PolarHBondContact O-N 2.94Å; G561-V565 VanDerWaalsContact O-N 3.09Å; M562-V565 PolarHBondContact O-N 3Å; V565-A568 PolarHBondContact O-N 3.4Å; V565-V569 WeakPolarHBondContact O-CG2 3.46Å; V565-V569 PolarHBondContact O-N 2.82Å
566	T	88.7	Confident	90.4	Very high	6 Å²	6	62.1 Å²	62.1	4%	0.037	34%	0.339	C	S	.	.	H	α-helix	trans	-61.3	-47.9	177.9	50.4	0	0	0	0	111.2	N508 L509 M555 M562 A563 A568 V569 I570	N508-T566 HydrophobicContact CB-CG2 3.82Å; L509-T566 HydrophobicContact CD2-CG2 3.79Å; L509-T566 HydrophobicContact CG-CG2 4.3Å; M555-T566 WeakPolarHBondContact CE-OG1 3.26Å; M562-T566 WeakPolarHBondContact O-CB 3.42Å; M562-T566 WeakPolarHBondContact O-CG2 3.48Å; M562-T566 PolarHBondContact O-N 3.45Å; M562-T566 PolarHBondContact O-OG1 3.33Å; A563-T566 WeakPolarHBondContact CA-OG1 3.39Å; A563-T566 PolarHBondContact O-OG1 3.04Å; T566-A568 VanDerWaalsContact C-N 3.31Å; T566-A568 PolarHBondContact O-N 3.12Å; T566-V569 WeakPolarHBondContact O-CB 3.27Å; T566-V569 PolarHBondContact O-N 3.38Å; T566-V569 VanDerWaalsContact O-N 3.11Å; T566-I570 WeakPolarHBondContact O-CG1 3.46Å; T566-I570 PolarHBondContact O-N 2.73Å
567	A	91.2	Very high	90.1	Very high	47 Å²	47	57.4 Å²	57.4	39%	0.388	32%	0.319	S	S	.	.	H	α-helix	trans	-56.4	-41.9	175.4	0	0	0	0	0	112.8	A563 L564 I570 S571	A563-A567 VanDerWaalsContact O-CB 3.22Å; A563-A567 WeakPolarHBondContact O-CB 3.4Å; A563-A567 PolarHBondContact O-N 3.39Å; L564-A567 PolarHBondContact O-N 2.82Å; A567-I570 PolarHBondContact O-N 3.04Å; A567-S571 WeakPolarHBondContact O-CB 3.49Å; A567-S571 PolarHBondContact O-N 3.01Å
568	A	93.4	Very high	90	Very high	53 Å²	53	57 Å²	57	44%	0.438	32%	0.317	S	S	.	.	H	α-helix	trans	-63.5	-40.7	176.6	0	0	0	0	0	112.1	L564 V565 T566 S571 T572	L564-A568 VanDerWaalsContact O-CB 3.32Å; L564-A568 WeakPolarHBondContact O-CB 3.4Å; L564-A568 PolarHBondContact O-N 3.42Å; V565-A568 PolarHBondContact O-N 3.4Å; T566-A568 VanDerWaalsContact C-N 3.31Å; T566-A568 PolarHBondContact O-N 3.12Å; A568-S571 PolarHBondContact O-N 3.04Å; A568-T572 WeakPolarHBondContact O-CB 3.33Å; A568-T572 PolarHBondContact O-N 2.92Å; A568-T572 PolarHBondContact O-OG1 3.17Å
569	V	91.3	Very high	90	Very high	60 Å²	60	62.7 Å²	62.7	36%	0.364	34%	0.342	S	S	.	.	H	α-helix	trans	-63.1	-46.8	174.6	173.7	0	0	0	0	110.8	V565 T566 S571 T572 L573	V565-V569 WeakPolarHBondContact O-CG2 3.46Å; V565-V569 PolarHBondContact O-N 2.82Å; T566-V569 WeakPolarHBondContact O-CB 3.27Å; T566-V569 PolarHBondContact O-N 3.38Å; T566-V569 VanDerWaalsContact O-N 3.11Å; V569-S571 PolarHBondContact O-N 2.72Å; V569-T572 PolarHBondContact O-N 3.01Å; V569-L573 HydrophobicContact CG1-CD1 4.03Å; V569-L573 WeakPolarHBondContact O-CG 3.26Å; V569-L573 PolarHBondContact O-N 3.36Å
570	I	90.5	Very high	89.8	Confident	33 Å²	33	65.6 Å²	65.6	17%	0.169	35%	0.348	C	S	.	.	H	α-helix	trans	-59.4	-48.9	178	-38.1	-154.3	0	0	0	110.6	I211 A512 T566 A567 T572 L573 Y574	I211-I570 HydrophobicContact CD1-CB 3.88Å; I211-I570 HydrophobicContact CD1-CD1 3.54Å; I211-I570 HydrophobicContact CD1-CG1 3.34Å; I211-I570 HydrophobicContact CD1-CG2 3.9Å; A512-I570 HydrophobicContact CB-CD1 3.79Å; T566-I570 WeakPolarHBondContact O-CG1 3.46Å; T566-I570 PolarHBondContact O-N 2.73Å; A567-I570 PolarHBondContact O-N 3.04Å; I570-T572 VanDerWaalsContact C-N 3.33Å; I570-T572 PolarHBondContact O-N 2.82Å; I570-L573 PolarHBondContact O-N 3.31Å; I570-Y574 WeakPolarHBondContact O-CB 3.37Å; I570-Y574 PolarHBondContact O-N 3.27Å
571	S	91	Very high	89.2	Confident	68 Å²	68	64.3 Å²	64.3	48%	0.476	35%	0.347	S	S	.	.	H	α-helix	trans	-61.7	-42.5	-177.9	-173.3	0	0	0	0	111.4	A567 A568 V569 Y574 V575	A567-S571 WeakPolarHBondContact O-CB 3.49Å; A567-S571 PolarHBondContact O-N 3.01Å; A568-S571 PolarHBondContact O-N 3.04Å; V569-S571 PolarHBondContact O-N 2.72Å; S571-Y574 PolarHBondContact O-N 3.24Å; S571-V575 WeakPolarHBondContact O-CB 3.41Å; S571-V575 VanDerWaalsContact O-CG2 3.26Å; S571-V575 WeakPolarHBondContact O-CG2 3.39Å; S571-V575 PolarHBondContact O-N 3.32Å
572	T	94	Very high	88.2	Confident	97 Å²	97	64 Å²	64	60%	0.595	34%	0.34	S	S	*	.	H	α-helix	trans	-63	-45.5	177.9	-57.5	0	0	0	0	111.7	A568 V569 I570 Y576	A568-T572 WeakPolarHBondContact O-CB 3.33Å; A568-T572 PolarHBondContact O-N 2.92Å; A568-T572 PolarHBondContact O-OG1 3.17Å; V569-T572 PolarHBondContact O-N 3.01Å; I570-T572 VanDerWaalsContact C-N 3.33Å; I570-T572 PolarHBondContact O-N 2.82Å; T572-Y576 WeakPolarHBondContact O-CB 3.06Å; T572-Y576 PolarHBondContact O-N 3.3Å
573	L	91.2	Very high	87	Confident	34 Å²	34	69.3 Å²	69.3	18%	0.178	37%	0.37	C	S	.	.	H	α-helix	trans	-64.2	-41	177.3	-69.1	172.8	0	0	0	111.9	M210 I211 Y463 V569 I570 Y576 L577	M210-L573 HydrophobicContact CB-CD1 3.9Å; I211-L573 HydrophobicContact CG1-CD1 4.46Å; Y463-L573 HydrophobicContact CE1-CD2 4.06Å; V569-L573 HydrophobicContact CG1-CD1 4.03Å; V569-L573 WeakPolarHBondContact O-CG 3.26Å; V569-L573 PolarHBondContact O-N 3.36Å; I570-L573 PolarHBondContact O-N 3.31Å; L573-Y576 PolarHBondContact O-N 3.01Å; L573-L577 WeakPolarHBondContact O-CG 3.27Å; L573-L577 PolarHBondContact O-N 3.49Å; L573-L577 VanDerWaalsContact O-N 3.08Å
574	Y	89.6	Confident	85.9	Confident	70 Å²	70	70.9 Å²	70.9	28%	0.275	38%	0.379	S	S	.	.	H	α-helix	trans	-64.5	-50.1	178.2	174.7	-101.7	0	0	0	111.6	E203 F204 S207 I570 S571 Y576 L577 L578	E203-Y574 HydrophobicContact CB-CD2 3.85Å; E203-Y574 HydrophobicContact CB-CE2 3.64Å; F204-Y574 HydrophobicContact CD1-CD2 4.3Å; F204-Y574 HydrophobicContact CD1-CE2 4.34Å; F204-Y574 HydrophobicContact CD2-CD2 4.39Å; F204-Y574 AromaticContact CD2-CE2 3.75Å; F204-Y574 HydrophobicContact CD2-CE2 3.75Å; F204-Y574 HydrophobicContact CE1-CD2 4.26Å; F204-Y574 HydrophobicContact CE1-CE2 4.11Å; F204-Y574 HydrophobicContact CE2-CD2 4.34Å; F204-Y574 AromaticContact CE2-CE2 3.47Å; F204-Y574 HydrophobicContact CE2-CE2 3.47Å; F204-Y574 VanDerWaalsContact CE2-CE2 3.47Å; F204-Y574 AromaticContact CE2-CZ 3.97Å; F204-Y574 HydrophobicContact CG-CD2 4.37Å; F204-Y574 HydrophobicContact CG-CE2 4.18Å; F204-Y574 HydrophobicContact CZ-CD2 4.27Å; F204-Y574 AromaticContact CZ-CE2 3.67Å; F204-Y574 HydrophobicContact CZ-CE2 3.67Å; S207-Y574 VanDerWaalsContact OG-CA 3.3Å; S207-Y574 WeakPolarHBondContact OG-CA 3.42Å; S207-Y574 PolarHBondContact OG-N 3.46Å; S207-Y574 VanDerWaalsContact OG-N 3.13Å; I570-Y574 WeakPolarHBondContact O-CB 3.37Å; I570-Y574 PolarHBondContact O-N 3.27Å; S571-Y574 PolarHBondContact O-N 3.24Å; Y574-Y576 VanDerWaalsContact C-N 3.28Å; Y574-Y576 PolarHBondContact O-N 2.68Å; Y574-L577 PolarHBondContact O-N 3.12Å; Y574-L578 HydrophobicContact CE1-CD2 4.42Å; Y574-L578 WeakPolarHBondContact O-CB 3.29Å; Y574-L578 PolarHBondContact O-N 3.48Å
575	V	91.6	Very high	84.7	Confident	60 Å²	60	73.1 Å²	73.1	36%	0.364	39%	0.392	S	S	.	.	H	α-helix	trans	-60.4	-40.1	177.9	171.6	0	0	0	0	110.8	S571 L578 H579	S571-V575 WeakPolarHBondContact O-CB 3.41Å; S571-V575 VanDerWaalsContact O-CG2 3.26Å; S571-V575 WeakPolarHBondContact O-CG2 3.39Å; S571-V575 PolarHBondContact O-N 3.32Å; V575-L578 PolarHBondContact O-N 3.17Å; V575-H579 VanDerWaalsContact CG1-CE1 3.48Å; V575-H579 WeakPolarHBondContact CG1-CE1 3.28Å; V575-H579 WeakPolarHBondContact CG1-ND1 3.35Å; V575-H579 PolarHBondContact O-N 3.24Å; V575-H579 VanDerWaalsContact O-N 3.08Å; V575-H579 PolarHBondContact O-ND1 3.01Å
576	Y	91.4	Very high	83.7	Confident	90 Å²	90	71.2 Å²	71.2	35%	0.353	38%	0.376	S	S	.	.	H	α-helix	trans	-58.8	-47.6	175.1	173.4	-93.1	0	0	0	112.1	Y463 T572 L573 Y574 H579 R580	Y463-Y576 HydrophobicContact CD1-CD1 4.02Å; Y463-Y576 AromaticContact CD1-CE1 3.61Å; Y463-Y576 HydrophobicContact CD1-CE1 3.61Å; Y463-Y576 AromaticContact CE1-CD1 3.78Å; Y463-Y576 HydrophobicContact CE1-CD1 3.78Å; Y463-Y576 AromaticContact CE1-CE1 3.88Å; Y463-Y576 HydrophobicContact CE1-CE1 3.88Å; T572-Y576 WeakPolarHBondContact O-CB 3.06Å; T572-Y576 PolarHBondContact O-N 3.3Å; L573-Y576 PolarHBondContact O-N 3.01Å; Y574-Y576 VanDerWaalsContact C-N 3.28Å; Y574-Y576 PolarHBondContact O-N 2.68Å; Y576-H579 PolarHBondContact O-N 3.39Å; Y576-R580 PolarHBondContact O-N 2.77Å
577	L	86.5	Confident	82.7	Confident	0 Å²	0	73 Å²	73	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-67.6	-37.5	179.4	-70.2	175.3	0	0	0	112.2	E203 L462 Y463 L573 Y574 H579 R580 K581 P582	E203-L577 HydrophobicContact CB-CB 4.3Å; E203-L577 HydrophobicContact CG-CB 4.35Å; E203-L577 WeakPolarHBondContact O-CD1 3.4Å; L462-L577 HydrophobicContact CB-CD2 4.17Å; L462-L577 HydrophobicContact CD2-CD1 4.33Å; L462-L577 HydrophobicContact CG-CD2 4.43Å; L462-L577 WeakPolarHBondContact O-CD2 3.47Å; Y463-L577 HydrophobicContact CE1-CD2 4.08Å; Y463-L577 HydrophobicContact CE1-CG 4.31Å; Y463-L577 WeakPolarHBondContact OH-CD1 3.46Å; L573-L577 WeakPolarHBondContact O-CG 3.27Å; L573-L577 PolarHBondContact O-N 3.49Å; L573-L577 VanDerWaalsContact O-N 3.08Å; Y574-L577 PolarHBondContact O-N 3.12Å; L577-H579 PolarHBondContact O-N 2.94Å; L577-R580 PolarHBondContact O-N 3.42Å; L577-K581 PolarHBondContact O-N 3.45Å; L577-P582 WeakPolarHBondContact O-CD 3.23Å
578	L	86.1	Confident	81.8	Confident	79 Å²	79	72.1 Å²	72.1	41%	0.414	39%	0.386	S	S	.	.	H	α-helix	trans	-62.4	-40.8	177.2	-168.8	71	0	0	0	112.2	E203 Y574 V575 R580 K581	E203-L578 HydrophobicContact CG-CD1 4.35Å; Y574-L578 HydrophobicContact CE1-CD2 4.42Å; Y574-L578 WeakPolarHBondContact O-CB 3.29Å; Y574-L578 PolarHBondContact O-N 3.48Å; V575-L578 PolarHBondContact O-N 3.17Å; L578-R580 VanDerWaalsContact C-N 3.34Å; L578-K581 WeakPolarHBondContact O-CG 3.4Å
579	H	86.3	Confident	80.9	Confident	150 Å²	150	70 Å²	70	69%	0.694	37%	0.368	S	S	*	.	H	α-helix	trans	-68.5	-33.6	176.6	-77.7	88.4	0	0	0	112.6	V575 Y576 L577	V575-H579 VanDerWaalsContact CG1-CE1 3.48Å; V575-H579 WeakPolarHBondContact CG1-CE1 3.28Å; V575-H579 WeakPolarHBondContact CG1-ND1 3.35Å; V575-H579 PolarHBondContact O-N 3.24Å; V575-H579 VanDerWaalsContact O-N 3.08Å; V575-H579 PolarHBondContact O-ND1 3.01Å; Y576-H579 PolarHBondContact O-N 3.39Å; L577-H579 PolarHBondContact O-N 2.94Å
580	R	82.7	Confident	80.2	Confident	94 Å²	94	69.1 Å²	69.1	36%	0.355	37%	0.371	S	S	.	.	H	α-helix	trans	-72.3	-31.4	-179.2	-172.5	176.9	175.6	-126	-0.6	112.8	R461 L462 Y576 L577 L578	R461-R580 VanDerWaalsContact O-CZ 3.3Å; R461-R580 PolarHBondContact O-NH1 3.38Å; R461-R580 PolarHBondContact O-NH2 2.81Å; L462-R580 PolarHBondContact O-NH1 2.91Å; Y576-R580 PolarHBondContact O-N 2.77Å; L577-R580 PolarHBondContact O-N 3.42Å; L578-R580 VanDerWaalsContact C-N 3.34Å
581	K	75.4	Confident	79.8	Confident	157 Å²	157	72.7 Å²	72.7	68%	0.683	39%	0.387	S	S	*	.			trans	48.2	67.6	-173.6	-62.5	-175.2	178.3	-177.8	0	111.4	L577 L578 N583	L577-K581 PolarHBondContact O-N 3.45Å; L578-K581 WeakPolarHBondContact O-CG 3.4Å; K581-N583 PolarHBondContact O-N 3.43Å
582	P	69	Low	79.3	Confident	19 Å²	19	70.5 Å²	70.5	12%	0.123	37%	0.373	C	S	.	.			trans	-53	131.1	179	23.6	-32.8	0	0	0	110.1	P202 L577 V584	P202-P582 HydrophobicContact CB-CG 3.88Å; P202-P582 HydrophobicContact CG-CG 3.88Å; L577-P582 WeakPolarHBondContact O-CD 3.23Å; P582-V584 HydrophobicContact CB-CG2 4.23Å; P582-V584 PolarHBondContact O-N 3.13Å
583	N	62.9	Low	78.8	Confident	167 Å²	167	69.1 Å²	69.1	89%	0.893	36%	0.358	S	S	*	.	S	Bend	trans	-74.1	62.1	179.5	-77.4	-23.1	0	0	0	110.8	K581	K581-N583 PolarHBondContact O-N 3.43Å
584	V	67.8	Low	78.6	Confident	34 Å²	34	72.1 Å²	72.1	21%	0.206	38%	0.378	C	S	.	.			trans	-136.5	112.7	-177.7	-156.8	0	0	0	0	109.5	P582 W586	P582-V584 HydrophobicContact CB-CG2 4.23Å; P582-V584 PolarHBondContact O-N 3.13Å; V584-W586 HydrophobicContact CB-CD2 4.48Å; V584-W586 HydrophobicContact CB-CZ2 4.27Å; V584-W586 HydrophobicContact CG1-CD2 3.86Å; V584-W586 HydrophobicContact CG1-CG 4.11Å; V584-W586 HydrophobicContact CG1-CZ2 3.54Å; V584-W586 PolarHBondContact O-N 2.98Å
585	N	66.6	Low	78.5	Confident	136 Å²	136	76.7 Å²	76.7	73%	0.727	40%	0.396	S	S	*	.			trans	-96.3	83.6	-179.1	-71.9	-15.3	0	0	0	109.5	G587	N585-G587 VanDerWaalsContact C-N 3.29Å
586	W	70.1	Confident	78.4	Confident	42 Å²	42	75.5 Å²	75.5	16%	0.159	39%	0.388	C	S	.	.			trans	-84.7	-5	173.2	-63.4	-32.9	0	0	0	113.7	S197 R198 P202 D460 L462 V584	S197-W586 VanDerWaalsContact O-CE3 3.28Å; R198-W586 VanDerWaalsContact CZ-CZ2 3.43Å; R198-W586 VanDerWaalsContact CZ-NE1 3.26Å; P202-W586 HydrophobicContact CB-CE3 3.71Å; P202-W586 HydrophobicContact CB-CH2 4.3Å; P202-W586 HydrophobicContact CB-CZ3 3.45Å; P202-W586 VanDerWaalsContact CB-CZ3 3.45Å; P202-W586 HydrophobicContact CG-CE3 4.21Å; P202-W586 HydrophobicContact CG-CZ3 4.42Å; D460-W586 HydrophobicContact CB-CH2 3.83Å; D460-W586 HydrophobicContact CB-CZ2 3.97Å; L462-W586 HydrophobicContact CD1-CH2 3.62Å; L462-W586 HydrophobicContact CD1-CZ3 4.28Å; V584-W586 HydrophobicContact CB-CD2 4.48Å; V584-W586 HydrophobicContact CB-CZ2 4.27Å; V584-W586 HydrophobicContact CG1-CD2 3.86Å; V584-W586 HydrophobicContact CG1-CG 4.11Å; V584-W586 HydrophobicContact CG1-CZ2 3.54Å; V584-W586 PolarHBondContact O-N 2.98Å
587	G	68.4	Low	78.3	Confident	43 Å²	43	79.2 Å²	79.2	44%	0.443	40%	0.402	S	S	.	.			trans	75.7	100.8	-168.8	0	0	0	0	0	109.3	N585	N585-G587 VanDerWaalsContact C-N 3.29Å
588	S	73	Confident	78.5	Confident	29 Å²	29	81.8 Å²	81.8	20%	0.203	42%	0.423	C	S	.	.			trans	-96.5	148	177.6	64.1	0	0	0	0	110.9	G590 Q591 A592	S588-G590 PolarHBondContact O-N 3.34Å; S588-G590 VanDerWaalsContact O-N 3.16Å; S588-Q591 PolarHBondContact O-N 3.34Å; S588-Q591 WeakPolarHBondContact OG-CG 3.3Å; S588-A592 PolarHBondContact O-N 3.36Å
589	S	73.2	Confident	78.8	Confident	9 Å²	9	82.5 Å²	82.5	6%	0.063	43%	0.426	C	S	.	.	H	α-helix	trans	-53.2	-36.3	172.5	-49.2	0	0	0	0	111.9	S199 D523 Q591 A592 Y593	S199-S589 PolarHBondContact O-OG 3.14Å; D523-S589 WeakPolarHBondContact OD2-CB 3.36Å; D523-S589 PolarHBondContact OD2-OG 3.45Å; S589-Q591 VanDerWaalsContact C-N 3.32Å; S589-Q591 PolarHBondContact O-N 3.27Å; S589-A592 WeakPolarHBondContact O-CB 3.05Å; S589-A592 PolarHBondContact O-N 3.47Å; S589-A592 VanDerWaalsContact O-N 3.1Å; S589-Y593 WeakPolarHBondContact O-CD2 3.28Å; S589-Y593 PolarHBondContact O-N 3.03Å
590	G	77.6	Confident	79	Confident	41 Å²	41	82.3 Å²	82.3	42%	0.423	42%	0.42	S	S	.	.	H	α-helix	trans	-59.9	-36	178	0	0	0	0	0	114.2	S588 T594	S588-G590 PolarHBondContact O-N 3.34Å; S588-G590 VanDerWaalsContact O-N 3.16Å; G590-T594 PolarHBondContact O-N 3.11Å; G590-T594 PolarHBondContact O-OG1 3.02Å
591	Q	80.7	Confident	79.5	Confident	107 Å²	107	82.1 Å²	82.1	50%	0.5	43%	0.426	S	S	.	.	H	α-helix	trans	-68.2	-41.4	174.4	-70.7	171.1	-6.4	0	0	111.1	S588 S589 T594 Y595	S588-Q591 PolarHBondContact O-N 3.34Å; S588-Q591 WeakPolarHBondContact OG-CG 3.3Å; S589-Q591 VanDerWaalsContact C-N 3.32Å; S589-Q591 PolarHBondContact O-N 3.27Å; Q591-T594 PolarHBondContact O-N 2.89Å; Q591-Y595 PolarHBondContact O-N 2.86Å
592	A	81.5	Confident	80.3	Confident	23 Å²	23	77.8 Å²	77.8	19%	0.19	41%	0.408	C	S	.	.	H	α-helix	trans	-63	-43.1	176.7	0	0	0	0	0	112.1	A527 S588 S589 T594 Y595 T596	A527-A592 HydrophobicContact CB-CB 4.43Å; S588-A592 PolarHBondContact O-N 3.36Å; S589-A592 WeakPolarHBondContact O-CB 3.05Å; S589-A592 PolarHBondContact O-N 3.47Å; S589-A592 VanDerWaalsContact O-N 3.1Å; A592-T594 VanDerWaalsContact C-N 3.34Å; A592-T594 PolarHBondContact O-N 3.45Å; A592-Y595 PolarHBondContact O-N 2.94Å; A592-T596 WeakPolarHBondContact O-CG2 3.49Å; A592-T596 PolarHBondContact O-N 3.09Å; A592-T596 PolarHBondContact O-OG1 3.3Å; A592-T596 VanDerWaalsContact O-OG1 3.05Å
593	Y	84.1	Confident	81.4	Confident	67 Å²	67	80.7 Å²	80.7	26%	0.263	43%	0.426	S	S	.	.	H	α-helix	trans	-63.6	-38.7	173.7	-72.7	-62.9	0	0	0	112.7	D523 L526 A527 S589 Y595 T596 R597	D523-Y593 PolarHBondContact O-OH 3.46Å; D523-Y593 VanDerWaalsContact OD1-CE2 3.28Å; D523-Y593 WeakPolarHBondContact OD1-CE2 3.41Å; D523-Y593 PolarHBondContact OD1-OH 2.95Å; D523-Y593 VanDerWaalsContact OD1-OH 3.08Å; L526-Y593 VanDerWaalsContact CB-OH 3.31Å; L526-Y593 WeakPolarHBondContact CB-OH 3.33Å; L526-Y593 WeakPolarHBondContact CD2-OH 3.35Å; L526-Y593 HydrophobicContact CG-CE1 4.33Å; L526-Y593 VanDerWaalsContact CG-OH 3.31Å; L526-Y593 WeakPolarHBondContact CG-OH 3.22Å; A527-Y593 HydrophobicContact CB-CE1 4.34Å; A527-Y593 HydrophobicContact CB-CE2 3.99Å; A527-Y593 PolarHBondContact N-OH 3.34Å; S589-Y593 WeakPolarHBondContact O-CD2 3.28Å; S589-Y593 PolarHBondContact O-N 3.03Å; Y593-Y595 VanDerWaalsContact C-N 3.34Å; Y593-Y595 PolarHBondContact O-N 3.01Å; Y593-T596 WeakPolarHBondContact CA-OG1 3.44Å; Y593-T596 PolarHBondContact O-OG1 2.93Å; Y593-T596 VanDerWaalsContact O-OG1 3.12Å; Y593-R597 WeakPolarHBondContact O-CB 3.28Å; Y593-R597 PolarHBondContact O-N 3.21Å
594	T	86.3	Confident	82.9	Confident	98 Å²	98	76.5 Å²	76.5	60%	0.601	41%	0.407	S	S	*	.	H	α-helix	trans	-62.9	-42.7	177.9	-57.9	0	0	0	0	111.1	G590 Q591 A592 A598	G590-T594 PolarHBondContact O-N 3.11Å; G590-T594 PolarHBondContact O-OG1 3.02Å; Q591-T594 PolarHBondContact O-N 2.89Å; A592-T594 VanDerWaalsContact C-N 3.34Å; A592-T594 PolarHBondContact O-N 3.45Å; T594-A598 WeakPolarHBondContact O-CB 2.91Å; T594-A598 PolarHBondContact O-N 3.37Å
595	Y	88.1	Confident	84	Confident	166 Å²	166	77.6 Å²	77.6	65%	0.651	41%	0.411	S	S	*	.	H	α-helix	trans	-63.8	-52.1	176.6	177.3	-91.4	0	0	0	112.2	Q591 A592 Y593 R597 A598 L599	Q591-Y595 PolarHBondContact O-N 2.86Å; A592-Y595 PolarHBondContact O-N 2.94Å; Y593-Y595 VanDerWaalsContact C-N 3.34Å; Y593-Y595 PolarHBondContact O-N 3.01Å; Y595-R597 VanDerWaalsContact C-N 3.31Å; Y595-R597 PolarHBondContact O-N 3.36Å; Y595-A598 PolarHBondContact O-N 3.19Å; Y595-L599 HydrophobicContact CE1-CD2 4.49Å; Y595-L599 PolarHBondContact O-N 3.45Å
596	T	88.1	Confident	85.1	Confident	34 Å²	34	75.7 Å²	75.7	21%	0.209	40%	0.4	C	S	.	.	H	α-helix	trans	-63.9	-37.8	-178.3	52	0	0	0	0	111.9	A592 Y593 L599 R600	A592-T596 WeakPolarHBondContact O-CG2 3.49Å; A592-T596 PolarHBondContact O-N 3.09Å; A592-T596 PolarHBondContact O-OG1 3.3Å; A592-T596 VanDerWaalsContact O-OG1 3.05Å; Y593-T596 WeakPolarHBondContact CA-OG1 3.44Å; Y593-T596 PolarHBondContact O-OG1 2.93Å; Y593-T596 VanDerWaalsContact O-OG1 3.12Å; T596-L599 PolarHBondContact O-N 2.96Å; T596-R600 WeakPolarHBondContact O-CG 3.42Å; T596-R600 PolarHBondContact O-N 2.69Å
597	R	90.3	Very high	86.1	Confident	169 Å²	169	79.2 Å²	79.2	64%	0.638	43%	0.426	S	S	*	.	H	α-helix	trans	-62.5	-49.4	172.5	-178.7	177.5	177.3	174.4	4.2	111.7	Y593 Y595 L599 R600 D601	Y593-R597 WeakPolarHBondContact O-CB 3.28Å; Y593-R597 PolarHBondContact O-N 3.21Å; Y595-R597 VanDerWaalsContact C-N 3.31Å; Y595-R597 PolarHBondContact O-N 3.36Å; R597-L599 VanDerWaalsContact C-N 3.27Å; R597-L599 PolarHBondContact O-N 3.18Å; R597-R600 PolarHBondContact O-N 3.36Å; R597-D601 WeakPolarHBondContact CG-OD2 3.31Å; R597-D601 IonicContact NE-OD2 3.75Å; R597-D601 WeakPolarHBondContact O-CB 3.47Å; R597-D601 VanDerWaalsContact O-CG 3.27Å; R597-D601 PolarHBondContact O-N 3.08Å
598	A	90.9	Very high	87.2	Confident	53 Å²	53	80.3 Å²	80.3	44%	0.438	43%	0.425	S	S	.	.	H	α-helix	trans	-58.1	-41.6	178.4	0	0	0	0	0	111.7	T594 Y595 M602	T594-A598 WeakPolarHBondContact O-CB 2.91Å; T594-A598 PolarHBondContact O-N 3.37Å; Y595-A598 PolarHBondContact O-N 3.19Å; A598-M602 WeakPolarHBondContact O-CB 3.31Å; A598-M602 WeakPolarHBondContact O-CG 3.33Å; A598-M602 PolarHBondContact O-N 3.24Å
599	L	91	Very high	88	Confident	94 Å²	94	87.4 Å²	87.4	49%	0.492	46%	0.455	S	S	.	.	H	α-helix	trans	-63.6	-49.1	176	179.7	62	0	0	0	112.2	Y595 T596 R597 D601 M602 V603	Y595-L599 HydrophobicContact CE1-CD2 4.49Å; Y595-L599 PolarHBondContact O-N 3.45Å; T596-L599 PolarHBondContact O-N 2.96Å; R597-L599 VanDerWaalsContact C-N 3.27Å; R597-L599 PolarHBondContact O-N 3.18Å; L599-D601 PolarHBondContact O-N 3.46Å; L599-M602 PolarHBondContact O-N 2.92Å; L599-V603 HydrophobicContact CD1-CG2 4.46Å; L599-V603 WeakPolarHBondContact O-CG2 3.45Å; L599-V603 PolarHBondContact O-N 3.36Å
600	R	92.2	Very high	88.4	Confident	147 Å²	147	94.4 Å²	94.4	56%	0.555	49%	0.486	S	S	*	.	H	α-helix	trans	-60.5	-47	178.6	-72.8	179.3	-164.6	134.6	2.6	111.5	T596 R597 M602 V603 T604	T596-R600 WeakPolarHBondContact O-CG 3.42Å; T596-R600 PolarHBondContact O-N 2.69Å; R597-R600 PolarHBondContact O-N 3.36Å; R600-M602 VanDerWaalsContact C-N 3.26Å; R600-M602 PolarHBondContact O-N 3.47Å; R600-V603 PolarHBondContact O-N 3.2Å; R600-V603 VanDerWaalsContact O-N 3.15Å; R600-T604 PolarHBondContact O-N 3.32Å; R600-T604 PolarHBondContact O-OG1 3.44Å; R600-T604 VanDerWaalsContact O-OG1 3.1Å
601	D	93	Very high	88.9	Confident	90 Å²	90	97.1 Å²	97.1	48%	0.481	49%	0.488	S	S	.	.	H	α-helix	trans	-60.5	-38.2	179.2	-69.6	-13	0	0	0	110.9	R597 L599 L605	R597-D601 WeakPolarHBondContact CG-OD2 3.31Å; R597-D601 IonicContact NE-OD2 3.75Å; R597-D601 WeakPolarHBondContact O-CB 3.47Å; R597-D601 VanDerWaalsContact O-CG 3.27Å; R597-D601 PolarHBondContact O-N 3.08Å; L599-D601 PolarHBondContact O-N 3.46Å; D601-L605 WeakPolarHBondContact O-CB 3.32Å; D601-L605 PolarHBondContact O-N 3.08Å
602	M	90.6	Very high	89.1	Confident	65 Å²	65	94 Å²	94	32%	0.32	48%	0.476	S	S	.	.	H	α-helix	trans	-67.1	-40.4	175.4	-72.8	-73	-104.7	0	0	112.9	A598 L599 R600 L605 L606 F705 L708	A598-M602 WeakPolarHBondContact O-CB 3.31Å; A598-M602 WeakPolarHBondContact O-CG 3.33Å; A598-M602 PolarHBondContact O-N 3.24Å; L599-M602 PolarHBondContact O-N 2.92Å; R600-M602 VanDerWaalsContact C-N 3.26Å; R600-M602 PolarHBondContact O-N 3.47Å; M602-L605 WeakPolarHBondContact O-CB 3.13Å; M602-L605 PolarHBondContact O-N 2.88Å; M602-L606 PolarHBondContact O-N 3.23Å; M602-F705 HydrophobicContact CE-CB 3.98Å; M602-L708 HydrophobicContact CE-CB 4.18Å; M602-L708 HydrophobicContact CE-CD1 3.56Å; M602-L708 HydrophobicContact CE-CG 4.09Å; M602-L708 HydrophobicContact SD-CB 4.46Å; M602-L708 HydrophobicContact SD-CD1 3.32Å; M602-L708 WeakPolarHBondContact SD-CD1 3.44Å; M602-L708 HydrophobicContact SD-CG 3.77Å
603	V	92.9	Very high	89.2	Confident	80 Å²	80	98.2 Å²	98.2	49%	0.485	49%	0.49	S	S	.	.	H	α-helix	trans	-67	-43.8	175.4	173	0	0	0	0	110.8	L599 R600 L605 L606	L599-V603 HydrophobicContact CD1-CG2 4.46Å; L599-V603 WeakPolarHBondContact O-CG2 3.45Å; L599-V603 PolarHBondContact O-N 3.36Å; R600-V603 PolarHBondContact O-N 3.2Å; R600-V603 VanDerWaalsContact O-N 3.15Å; V603-L605 PolarHBondContact O-N 3.48Å; V603-L606 WeakPolarHBondContact O-CB 3.49Å; V603-L606 PolarHBondContact O-N 2.97Å; V603-L606 VanDerWaalsContact O-N 3.08Å
604	T	95	Very high	89.4	Confident	80 Å²	80	100.7 Å²	100.7	49%	0.491	51%	0.508	S	S	.	.	H	α-helix	trans	-60.9	-33.3	174.6	-59	0	0	0	0	112	R600 L606 T607 T608	R600-T604 PolarHBondContact O-N 3.32Å; R600-T604 PolarHBondContact O-OG1 3.44Å; R600-T604 VanDerWaalsContact O-OG1 3.1Å; T604-L606 VanDerWaalsContact C-N 3.3Å; T604-L606 PolarHBondContact O-N 3.47Å; T604-T607 PolarHBondContact O-N 3.31Å; T604-T607 PolarHBondContact O-OG1 2.91Å; T604-T608 PolarHBondContact O-N 3.33Å; T604-T608 PolarHBondContact O-OG1 3.34Å
605	L	90.4	Very high	89.6	Confident	57 Å²	57	98.8 Å²	98.8	30%	0.298	49%	0.49	S	S	.	.	H	α-helix	trans	-65.4	-32.9	176	-171.4	65.1	0	0	0	112.2	D601 M602 V603 T607 T608 K707 L708	D601-L605 WeakPolarHBondContact O-CB 3.32Å; D601-L605 PolarHBondContact O-N 3.08Å; M602-L605 WeakPolarHBondContact O-CB 3.13Å; M602-L605 PolarHBondContact O-N 2.88Å; V603-L605 PolarHBondContact O-N 3.48Å; L605-T607 VanDerWaalsContact C-N 3.3Å; L605-T607 PolarHBondContact O-N 2.86Å; L605-T608 PolarHBondContact O-N 3.11Å; L605-K707 HydrophobicContact CD2-CB 4Å; L605-K707 HydrophobicContact CG-CB 3.95Å; L605-K707 HydrophobicContact CG-CG 4.35Å; L605-K707 WeakPolarHBondContact O-CD 3.34Å; L605-K707 WeakPolarHBondContact O-CE 3.49Å; L605-L708 HydrophobicContact CD2-CD2 3.93Å; L605-L708 HydrophobicContact CD2-CG 3.89Å
606	L	90.3	Very high	89.8	Confident	95 Å²	95	96.8 Å²	96.8	50%	0.497	48%	0.481	S	S	.	.	H	α-helix	trans	-60.7	-39.3	175.8	-68.2	172.7	0	0	0	112.2	M602 V603 T604 K707	M602-L606 PolarHBondContact O-N 3.23Å; V603-L606 WeakPolarHBondContact O-CB 3.49Å; V603-L606 PolarHBondContact O-N 2.97Å; V603-L606 VanDerWaalsContact O-N 3.08Å; T604-L606 VanDerWaalsContact C-N 3.3Å; T604-L606 PolarHBondContact O-N 3.47Å; L606-K707 WeakPolarHBondContact O-CE 3.48Å
607	T	91.3	Very high	90.1	Very high	116 Å²	116	95.4 Å²	95.4	71%	0.712	47%	0.473	S	S	*	.	H	α-helix	trans	-84.6	-8.7	-178.5	58.5	0	0	0	0	113.8	T604 L605	T604-T607 PolarHBondContact O-N 3.31Å; T604-T607 PolarHBondContact O-OG1 2.91Å; L605-T607 VanDerWaalsContact C-N 3.3Å; L605-T607 PolarHBondContact O-N 2.86Å
608	T	91.1	Very high	90.4	Very high	67 Å²	67	88.9 Å²	88.9	41%	0.411	45%	0.45	S	S	.	.	S	Bend	trans	-80.3	123.2	-177.8	-60.7	0	0	0	0	110.7	T604 L605 K707	T604-T608 PolarHBondContact O-N 3.33Å; T604-T608 PolarHBondContact O-OG1 3.34Å; L605-T608 PolarHBondContact O-N 3.11Å; T608-K707 WeakPolarHBondContact O-CE 3.35Å; T608-K707 PolarHBondContact O-NZ 3.36Å
609	E	88.7	Confident	90.7	Very high	177 Å²	177	86.4 Å²	86.4	83%	0.827	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-61.6	144.6	179.8	-66	-177.4	176.8	0	0	113.4
610	E	83.2	Confident	91	Very high	157 Å²	157	82 Å²	82	73%	0.734	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-79.8	132.6	176	-67.8	-174.2	-177.5	0	0	110.8	K707	E610-K707 HydrophobicContact CG-CD 4.48Å
611	H	86.6	Confident	91.3	Very high	97 Å²	97	75 Å²	75	45%	0.449	38%	0.38	S	S	.	.			trans	-136.4	135.7	176.2	-168.2	-71.9	0	0	0	109.1	K613 N614 Y615	H611-K613 VanDerWaalsContact CE1-CD 3.45Å; H611-K613 WeakPolarHBondContact CE1-CD 3.26Å; H611-K613 VanDerWaalsContact CE1-CG 3.44Å; H611-K613 WeakPolarHBondContact CE1-CG 3.36Å; H611-K613 WeakPolarHBondContact ND1-CB 3.45Å; H611-K613 WeakPolarHBondContact ND1-CG 3.38Å; H611-K613 PolarHBondContact ND1-N 3.26Å; H611-K613 VanDerWaalsContact ND1-N 3.1Å; H611-K613 PolarHBondContact O-N 3.22Å; H611-K613 VanDerWaalsContact O-N 3.12Å; H611-N614 WeakPolarHBondContact O-CA 3.37Å; H611-N614 PolarHBondContact O-N 2.86Å; H611-Y615 PolarHBondContact O-N 3.17Å
612	V	85.6	Confident	91.5	Very high	42 Å²	42	71.1 Å²	71.1	26%	0.255	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-53.5	-35.1	-178.5	56	0	0	0	0	113.1	N614 Y615 N1051 T1054	V612-N614 PolarHBondContact O-N 3.49Å; V612-Y615 WeakPolarHBondContact O-CB 3.34Å; V612-Y615 PolarHBondContact O-N 3.26Å; V612-N1051 WeakPolarHBondContact CG2-O 3.23Å; V612-T1054 HydrophobicContact CB-CG2 4.42Å; V612-T1054 HydrophobicContact CG1-CG2 3.45Å; V612-T1054 VanDerWaalsContact CG1-CG2 3.45Å; V612-T1054 HydrophobicContact CG2-CG2 4.2Å
613	K	83.8	Confident	91.5	Very high	111 Å²	111	68 Å²	68	48%	0.483	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-56.4	-31.6	172	-69.7	173.2	-174.9	176.9	0	114.5	H611 T1054 Y1056	H611-K613 VanDerWaalsContact CE1-CD 3.45Å; H611-K613 WeakPolarHBondContact CE1-CD 3.26Å; H611-K613 VanDerWaalsContact CE1-CG 3.44Å; H611-K613 WeakPolarHBondContact CE1-CG 3.36Å; H611-K613 WeakPolarHBondContact ND1-CB 3.45Å; H611-K613 WeakPolarHBondContact ND1-CG 3.38Å; H611-K613 PolarHBondContact ND1-N 3.26Å; H611-K613 VanDerWaalsContact ND1-N 3.1Å; H611-K613 PolarHBondContact O-N 3.22Å; H611-K613 VanDerWaalsContact O-N 3.12Å; K613-T1054 HydrophobicContact CG-CG2 3.97Å; K613-Y1056 HydrophobicContact CD-CE1 3.8Å; K613-Y1056 HydrophobicContact CG-CE1 4.22Å
614	N	87.9	Confident	91.5	Very high	119 Å²	119	65.1 Å²	65.1	64%	0.636	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-99.8	7.4	179.8	-68.4	-26.9	0	0	0	111.9	H611 V612 R616	H611-N614 WeakPolarHBondContact O-CA 3.37Å; H611-N614 PolarHBondContact O-N 2.86Å; V612-N614 PolarHBondContact O-N 3.49Å; N614-R616 PolarHBondContact O-N 2.59Å
615	Y	91	Very high	91.4	Very high	58 Å²	58	61.8 Å²	61.8	23%	0.227	31%	0.308	C	S	.	.			trans	-57.2	135	177.2	177.8	-90.8	0	0	0	110.6	H611 V612 P617 N711 L886 V1052	H611-Y615 PolarHBondContact O-N 3.17Å; V612-Y615 WeakPolarHBondContact O-CB 3.34Å; V612-Y615 PolarHBondContact O-N 3.26Å; Y615-P617 HydrophobicContact CE1-CG 4.3Å; Y615-N711 VanDerWaalsContact CE2-ND2 3.26Å; Y615-N711 WeakPolarHBondContact CE2-ND2 3.35Å; Y615-N711 PolarHBondContact OH-ND2 2.85Å; Y615-L886 HydrophobicContact CD1-CD2 3.71Å; Y615-L886 HydrophobicContact CE1-CD2 3.68Å; Y615-V1052 HydrophobicContact CD1-CB 3.74Å; Y615-V1052 HydrophobicContact CD1-CG1 4.01Å; Y615-V1052 HydrophobicContact CD2-CB 4.38Å; Y615-V1052 HydrophobicContact CD2-CG1 3.95Å; Y615-V1052 HydrophobicContact CE1-CB 3.72Å; Y615-V1052 HydrophobicContact CE1-CG1 3.63Å; Y615-V1052 HydrophobicContact CE2-CB 4.35Å; Y615-V1052 HydrophobicContact CE2-CG1 3.56Å; Y615-V1052 HydrophobicContact CG-CB 4.08Å; Y615-V1052 HydrophobicContact CG-CG1 4.16Å
616	R	91.9	Very high	91.6	Very high	124 Å²	124	59 Å²	59	47%	0.468	29%	0.294	S	S	.	.			trans	-128.6	135.5	176.3	-69.9	-177.4	-177.9	-80.6	-9.4	109.8	N614 Q618 V643 N711	N614-R616 PolarHBondContact O-N 2.59Å; R616-Q618 WeakPolarHBondContact O-CG 3.46Å; R616-Q618 PolarHBondContact O-N 2.85Å; R616-V643 PolarHBondContact NH1-O 2.81Å; R616-N711 PolarHBondContact O-ND2 3.18Å
617	P	94.8	Very high	91.7	Very high	6 Å²	6	54.7 Å²	54.7	4%	0.039	27%	0.272	C	S	.	.			trans	-64.9	104	168.1	-22	33.4	0	0	0	110.3	Y615 V619 I639 S644 I712 L890	Y615-P617 HydrophobicContact CE1-CG 4.3Å; P617-V619 HydrophobicContact CB-CG2 4.34Å; P617-I639 HydrophobicContact CB-CG2 4.12Å; P617-I639 HydrophobicContact CG-CG2 4.27Å; P617-S644 WeakPolarHBondContact O-CB 3.37Å; P617-I712 HydrophobicContact CB-CD1 3.58Å; P617-L890 HydrophobicContact CG-CD1 3.57Å
618	Q	95.7	Very high	91.7	Very high	32 Å²	32	49.4 Å²	49.4	15%	0.15	24%	0.239	C	C	.	.			trans	-101.1	106.3	177.3	-58	-161.7	51.1	0	0	107.9	R616 L645 K707 T709 P710 N711 I712	R616-Q618 WeakPolarHBondContact O-CG 3.46Å; R616-Q618 PolarHBondContact O-N 2.85Å; Q618-L645 HydrophobicContact CB-CB 3.98Å; Q618-L645 HydrophobicContact CB-CD2 4.43Å; Q618-L645 HydrophobicContact CG-CB 4.11Å; Q618-K707 PolarHBondContact NE2-O 2.95Å; Q618-K707 PolarHBondContact OE1-O 3.42Å; Q618-T709 WeakPolarHBondContact CB-O 3.37Å; Q618-T709 PolarHBondContact OE1-O 2.92Å; Q618-P710 CarbonylContact O-C 3.49Å; Q618-P710 VanDerWaalsContact O-CA 3.29Å; Q618-P710 WeakPolarHBondContact O-CA 3.36Å; Q618-N711 WeakPolarHBondContact CA-OD1 3.5Å; Q618-N711 PolarHBondContact N-OD1 3.38Å; Q618-N711 PolarHBondContact O-N 3.04Å; Q618-N711 PolarHBondContact O-OD1 3.3Å; Q618-I712 PolarHBondContact O-N 2.84Å
619	V	97.7	Very high	91.8	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	120.6	-162	-166.2	0	0	0	0	111.8	P617 V621 V636 T640 L645 M646 V647 I712 F714	P617-V619 HydrophobicContact CB-CG2 4.34Å; V619-V621 HydrophobicContact CB-CG2 4.35Å; V619-V621 HydrophobicContact CG1-CG2 3.75Å; V619-V636 HydrophobicContact CB-CG1 3.79Å; V619-V636 HydrophobicContact CG1-CG1 3.78Å; V619-V636 HydrophobicContact CG1-CG2 4.38Å; V619-V636 HydrophobicContact CG2-CG1 4Å; V619-T640 HydrophobicContact CB-CG2 4.48Å; V619-T640 HydrophobicContact CG2-CG2 3.86Å; V619-L645 PolarHBondContact N-O 3.06Å; V619-M646 WeakPolarHBondContact O-CA 3.46Å; V619-V647 PolarHBondContact O-N 3.12Å; V619-I712 CarbonylContact C-O 3.5Å; V619-I712 WeakPolarHBondContact CA-O 3.47Å; V619-I712 HydrophobicContact CG1-CB 4.48Å; V619-I712 HydrophobicContact CG1-CG2 4.32Å; V619-I712 HydrophobicContact CG2-CB 4.37Å; V619-I712 HydrophobicContact CG2-CD1 4.38Å; V619-F714 HydrophobicContact CG1-CB 3.45Å; V619-F714 VanDerWaalsContact CG1-CB 3.45Å; V619-F714 HydrophobicContact CG1-CD2 4.26Å; V619-F714 HydrophobicContact CG1-CG 4.22Å
620	L	98	Very high	92	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	106.9	162.8	178.7	59.2	0	0	0	108	F622 V647 L699 L700 P710 I712 A713 F714	L620-F622 HydrophobicContact CD2-CE1 4.03Å; L620-F622 HydrophobicContact CD2-CZ 4.2Å; L620-F622 HydrophobicContact CG-CE1 4.3Å; L620-V647 HydrophobicContact CD1-CB 3.91Å; L620-V647 HydrophobicContact CD1-CG1 3.82Å; L620-L699 HydrophobicContact CD2-CB 4.42Å; L620-L700 HydrophobicContact CD2-CD2 3.57Å; L620-P710 HydrophobicContact CB-CB 3.57Å; L620-P710 HydrophobicContact CB-CG 3.78Å; L620-I712 PolarHBondContact N-O 2.81Å; L620-A713 CarbonylContact O-C 3.5Å; L620-A713 WeakPolarHBondContact O-CA 3.32Å; L620-F714 PolarHBondContact O-N 3.3Å
621	V	97.7	Very high	92.4	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	115.4	-179.6	-165.6	0	0	0	0	108.3	V619 T623 L632 V636 M646 V647 G649 F714	V619-V621 HydrophobicContact CB-CG2 4.35Å; V619-V621 HydrophobicContact CG1-CG2 3.75Å; V621-T623 HydrophobicContact CB-CG2 3.81Å; V621-T623 HydrophobicContact CG1-CG2 3.43Å; V621-T623 VanDerWaalsContact CG1-CG2 3.43Å; V621-T623 PolarHBondContact O-N 2.68Å; V621-L632 HydrophobicContact CG1-CB 4.11Å; V621-V636 HydrophobicContact CG1-CG2 4.28Å; V621-V636 HydrophobicContact CG2-CB 4.04Å; V621-V636 HydrophobicContact CG2-CG1 3.72Å; V621-V636 HydrophobicContact CG2-CG2 3.82Å; V621-M646 HydrophobicContact CG2-CE 4.06Å; V621-M646 HydrophobicContact CG2-CG 4.2Å; V621-V647 PolarHBondContact N-O 3.05Å; V621-G649 PolarHBondContact O-N 2.74Å; V621-F714 CarbonylContact C-O 3.6Å; V621-F714 WeakPolarHBondContact CA-O 3.34Å; V621-F714 HydrophobicContact CG1-CB 4.41Å; V621-F714 HydrophobicContact CG1-CD1 4.48Å; V621-F714 HydrophobicContact CG2-CB 4.38Å
622	F	96.7	Very high	92.7	Very high	9 Å²	9	29.3 Å²	29.3	4%	0.039	14%	0.138	C	C	.	.			trans	-73.7	69	169.6	-62.9	-57.3	0	0	0	109.7	L620 G624 I696 L699 L700 A713 F714 M715 T735	L620-F622 HydrophobicContact CD2-CE1 4.03Å; L620-F622 HydrophobicContact CD2-CZ 4.2Å; L620-F622 HydrophobicContact CG-CE1 4.3Å; F622-G624 PolarHBondContact O-N 3.05Å; F622-I696 HydrophobicContact CD1-CD1 3.75Å; F622-I696 HydrophobicContact CE1-CD1 3.55Å; F622-I696 HydrophobicContact CE1-CG2 4.42Å; F622-I696 HydrophobicContact CZ-CD1 4.16Å; F622-I696 HydrophobicContact CZ-CG2 4.22Å; F622-L699 HydrophobicContact CD1-CD1 4.45Å; F622-L699 HydrophobicContact CE1-CD1 4.34Å; F622-L700 HydrophobicContact CE1-CD2 4.3Å; F622-L700 HydrophobicContact CZ-CD2 3.64Å; F622-A713 HydrophobicContact CE2-CB 3.89Å; F622-F714 PolarHBondContact N-O 3.26Å; F622-M715 HydrophobicContact CB-CB 4.32Å; F622-M715 HydrophobicContact CD2-CB 4.2Å; F622-T735 HydrophobicContact CD2-CG2 4.21Å; F622-T735 HydrophobicContact CE2-CG2 3.74Å; F622-T735 HydrophobicContact CZ-CG2 4.11Å
623	T	92	Very high	93.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.126	C	C	.	.			trans	-69.3	-23.3	-179.2	51.4	0	0	0	0	111.6	V621 N625 R629 I633 C648 G649	V621-T623 HydrophobicContact CB-CG2 3.81Å; V621-T623 HydrophobicContact CG1-CG2 3.43Å; V621-T623 VanDerWaalsContact CG1-CG2 3.43Å; V621-T623 PolarHBondContact O-N 2.68Å; T623-N625 PolarHBondContact O-N 3.07Å; T623-R629 WeakPolarHBondContact O-CD 3.42Å; T623-R629 WeakPolarHBondContact O-CG 3.09Å; T623-I633 HydrophobicContact CG2-CD1 4.14Å; T623-I633 HydrophobicContact CG2-CG1 3.65Å; T623-C648 HydrophobicContact CG2-CB 4.05Å; T623-G649 PolarHBondContact N-O 3.21Å; T623-G649 PolarHBondContact OG1-O 3.34Å
624	G	91.6	Very high	93.7	Very high	18 Å²	18	22.1 Å²	22.1	19%	0.186	10%	0.103	C	C	.	.	S	Bend	trans	58.5	-134.8	-155.4	0	0	0	0	0	107.5	F622 P626 G649 H650	F622-G624 PolarHBondContact O-N 3.05Å; G624-P626 VanDerWaalsContact O-CD 3.27Å; G624-P626 WeakPolarHBondContact O-CD 3.4Å; G624-G649 PolarHBondContact N-O 3.5Å; G624-H650 VanDerWaalsContact C-CG 3.43Å; G624-H650 VanDerWaalsContact CA-CD2 3.48Å; G624-H650 WeakPolarHBondContact CA-CD2 3.39Å; G624-H650 VanDerWaalsContact O-CB 3.24Å; G624-H650 WeakPolarHBondContact O-CB 3.43Å; G624-H650 PolarHBondContact O-CD2 3.5Å
625	N	93.6	Very high	94.1	Very high	10 Å²	10	16.5 Å²	16.5	5%	0.053	7%	0.073	C	C	.	.	S	Bend	trans	-66	117.7	171	-170	-31.4	0	0	0	110.4	T623 V627 S628 R629 H650 L772 L773	T623-N625 PolarHBondContact O-N 3.07Å; N625-V627 PolarHBondContact O-N 3.46Å; N625-V627 VanDerWaalsContact O-N 3.11Å; N625-V627 WeakPolarHBondContact OD1-CB 3.32Å; N625-V627 PolarHBondContact OD1-N 3.17Å; N625-S628 PolarHBondContact O-N 3.17Å; N625-S628 PolarHBondContact O-OG 2.76Å; N625-R629 PolarHBondContact O-N 3.22Å; N625-H650 PolarHBondContact N-CD2 3.42Å; N625-H650 VanDerWaalsContact N-CD2 3.25Å; N625-H650 PolarHBondContact N-NE2 3.32Å; N625-L772 PolarHBondContact ND2-O 2.85Å; N625-L773 VanDerWaalsContact ND2-C 3.3Å; N625-L773 WeakPolarHBondContact ND2-CA 3.36Å; N625-L773 PolarHBondContact ND2-O 3.17Å
626	P	93.6	Very high	94.3	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-27.4	-177.1	22.8	-33.2	0	0	0	113.3	G624 I633 I671 W674 Y684	G624-P626 VanDerWaalsContact O-CD 3.27Å; G624-P626 WeakPolarHBondContact O-CD 3.4Å; P626-I633 HydrophobicContact CB-CD1 3.33Å; P626-I633 VanDerWaalsContact O-CD1 3.26Å; P626-I633 WeakPolarHBondContact O-CD1 3.47Å; P626-I671 HydrophobicContact CG-CD1 4.08Å; P626-I671 HydrophobicContact CG-CG2 3.59Å; P626-W674 HydrophobicContact CB-CZ3 4.29Å; P626-W674 WeakPolarHBondContact O-CH2 3.26Å; P626-Y684 HydrophobicContact CG-CD2 3.94Å; P626-Y684 HydrophobicContact CG-CE2 3.83Å
627	V	92.6	Very high	94.5	Very high	4 Å²	4	10.6 Å²	10.6	2%	0.024	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-30.1	178.1	-173.4	0	0	0	0	111.9	N625 P630 W674 L761 G769 L772 L773	N625-V627 PolarHBondContact O-N 3.46Å; N625-V627 VanDerWaalsContact O-N 3.11Å; N625-V627 WeakPolarHBondContact OD1-CB 3.32Å; N625-V627 PolarHBondContact OD1-N 3.17Å; V627-P630 WeakPolarHBondContact O-CD 3.44Å; V627-W674 HydrophobicContact CB-CZ2 4.39Å; V627-W674 HydrophobicContact CG1-CZ2 4.23Å; V627-W674 HydrophobicContact CG2-CD2 3.92Å; V627-W674 HydrophobicContact CG2-CE3 4.22Å; V627-W674 HydrophobicContact CG2-CG 4.26Å; V627-W674 HydrophobicContact CG2-CZ2 4.28Å; V627-L761 VanDerWaalsContact O-CD1 3.29Å; V627-L761 WeakPolarHBondContact O-CD1 3.46Å; V627-G769 WeakPolarHBondContact CG1-O 3.24Å; V627-L772 HydrophobicContact CG2-CB 4.2Å; V627-L773 HydrophobicContact CB-CD2 4.3Å; V627-L773 HydrophobicContact CG1-CD2 4.07Å
628	S	91.4	Very high	94.5	Very high	4 Å²	4	10.6 Å²	10.6	3%	0.028	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-26.7	177.8	67.1	0	0	0	0	113.3	N625 P630 F757 S758	N625-S628 PolarHBondContact O-N 3.17Å; N625-S628 PolarHBondContact O-OG 2.76Å; S628-P630 WeakPolarHBondContact O-CD 3.47Å; S628-F757 PolarHBondContact O-N 3.25Å; S628-S758 WeakPolarHBondContact CB-OG 3.49Å; S628-S758 PolarHBondContact OG-OG 2.87Å
629	R	93.3	Very high	94.5	Very high	76 Å²	76	9.4 Å²	9.4	29%	0.287	5%	0.045	S	C	.	.			trans	-120.6	53.5	-179.7	-50.5	-164.4	-175.5	153	-3.3	114.4	T623 N625 C631 L632 C755 D756	T623-R629 WeakPolarHBondContact O-CD 3.42Å; T623-R629 WeakPolarHBondContact O-CG 3.09Å; N625-R629 PolarHBondContact O-N 3.22Å; R629-C631 PolarHBondContact O-N 3.44Å; R629-C631 VanDerWaalsContact O-N 3.14Å; R629-L632 HydrophobicContact CB-CD1 3.97Å; R629-L632 HydrophobicContact CB-CG 4.39Å; R629-L632 PolarHBondContact O-N 3.08Å; R629-L632 VanDerWaalsContact O-N 3.14Å; R629-C755 WeakPolarHBondContact CA-O 3.43Å; R629-D756 HydrophobicContact CG-CB 4.45Å; R629-D756 IonicContact CZ-OD2 3.75Å; R629-D756 IonicContact NE-OD2 3.94Å; R629-D756 PolarHBondContact NE-OD2 3.3Å; R629-D756 IonicContact NH2-OD2 3.52Å; R629-D756 PolarHBondContact NH2-OD2 3.46Å
630	P	92.4	Very high	94.3	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.006	5%	0.045	C	C	.	.	H	α-helix	trans	-61.9	-26.2	-177.6	24.4	-33.2	0	0	0	113.2	V627 S628 L632 I633 D634 W674 F757 V860	V627-P630 WeakPolarHBondContact O-CD 3.44Å; S628-P630 WeakPolarHBondContact O-CD 3.47Å; P630-L632 VanDerWaalsContact C-N 3.35Å; P630-L632 PolarHBondContact O-N 2.99Å; P630-I633 PolarHBondContact O-N 3.36Å; P630-D634 PolarHBondContact O-N 3.32Å; P630-W674 HydrophobicContact CB-CH2 4.22Å; P630-F757 HydrophobicContact CG-CD2 4.29Å; P630-V860 HydrophobicContact CB-CG1 4.44Å; P630-V860 HydrophobicContact CG-CB 4.39Å; P630-V860 HydrophobicContact CG-CG1 3.8Å; P630-V860 HydrophobicContact CG-CG2 4.38Å
631	C	91.7	Very high	94	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-62	-40	177	-71.3	0	0	0	0	112.6	R629 I633 F635 L751 F757 A859 F863	R629-C631 PolarHBondContact O-N 3.44Å; R629-C631 VanDerWaalsContact O-N 3.14Å; C631-I633 VanDerWaalsContact C-N 3.31Å; C631-I633 PolarHBondContact O-N 3.31Å; C631-F635 VanDerWaalsContact O-CB 3.24Å; C631-F635 WeakPolarHBondContact O-CB 3.41Å; C631-F635 PolarHBondContact O-N 2.89Å; C631-L751 HydrophobicContact CB-CD1 4.05Å; C631-F757 HydrophobicContact CB-CE2 4.29Å; C631-F757 WeakPolarHBondContact SG-CE2 3.29Å; C631-A859 PolarHBondContact SG-O 3.25Å; C631-F863 HydrophobicContact CB-CD2 4.13Å; C631-F863 HydrophobicContact CB-CE2 4.05Å; C631-F863 VanDerWaalsContact O-CD2 3.25Å; C631-F863 WeakPolarHBondContact O-CD2 3.38Å
632	L	93.9	Very high	93.5	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-63.3	-43.2	176.4	-69.1	174.6	0	0	0	110.5	V621 R629 P630 F635 V636 F714 L749 C755	V621-L632 HydrophobicContact CG1-CB 4.11Å; R629-L632 HydrophobicContact CB-CD1 3.97Å; R629-L632 HydrophobicContact CB-CG 4.39Å; R629-L632 PolarHBondContact O-N 3.08Å; R629-L632 VanDerWaalsContact O-N 3.14Å; P630-L632 VanDerWaalsContact C-N 3.35Å; P630-L632 PolarHBondContact O-N 2.99Å; L632-F635 PolarHBondContact O-N 3.34Å; L632-V636 WeakPolarHBondContact O-CB 3.45Å; L632-V636 VanDerWaalsContact O-CG2 3.27Å; L632-V636 WeakPolarHBondContact O-CG2 3.4Å; L632-V636 PolarHBondContact O-N 2.94Å; L632-F714 HydrophobicContact CD2-CD1 4.27Å; L632-F714 HydrophobicContact CD2-CE1 3.99Å; L632-L749 HydrophobicContact CD2-CB 4.08Å; L632-L749 HydrophobicContact CD2-CD2 4.06Å; L632-C755 HydrophobicContact CD1-CB 4.43Å; L632-C755 HydrophobicContact CD2-CB 4.42Å; L632-C755 HydrophobicContact CG-CB 4.16Å
633	I	95.2	Very high	93.3	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63.5	-50.8	-179.3	-61.4	176.3	0	0	0	110.9	T623 P626 P630 C631 F635 V636 R637 M646 W674 L675 V680	T623-I633 HydrophobicContact CG2-CD1 4.14Å; T623-I633 HydrophobicContact CG2-CG1 3.65Å; P626-I633 HydrophobicContact CB-CD1 3.33Å; P626-I633 VanDerWaalsContact O-CD1 3.26Å; P626-I633 WeakPolarHBondContact O-CD1 3.47Å; P630-I633 PolarHBondContact O-N 3.36Å; C631-I633 VanDerWaalsContact C-N 3.31Å; C631-I633 PolarHBondContact O-N 3.31Å; I633-F635 VanDerWaalsContact C-N 3.31Å; I633-F635 PolarHBondContact O-N 2.73Å; I633-V636 PolarHBondContact O-N 3.5Å; I633-R637 VanDerWaalsContact O-CB 3.26Å; I633-R637 WeakPolarHBondContact O-CB 3.36Å; I633-R637 PolarHBondContact O-N 3.05Å; I633-M646 HydrophobicContact CB-CE 3.98Å; I633-M646 HydrophobicContact CG1-CE 4.28Å; I633-M646 HydrophobicContact CG2-CE 3.6Å; I633-M646 WeakPolarHBondContact O-CE 3.47Å; I633-W674 HydrophobicContact CD1-CH2 4.4Å; I633-W674 HydrophobicContact CD1-CZ3 4.06Å; I633-L675 HydrophobicContact CD1-CD2 4.31Å; I633-L675 HydrophobicContact CG2-CD2 4.32Å; I633-V680 HydrophobicContact CG2-CB 4.37Å; I633-V680 HydrophobicContact CG2-CG1 3.75Å; I633-V680 HydrophobicContact CG2-CG2 4.08Å
634	D	94.6	Very high	93.3	Very high	2 Å²	2	17.1 Å²	17.1	1%	0.011	9%	0.09	C	C	.	.	H	α-helix	trans	-66.9	-34.2	-177.9	-68.1	-27.3	0	0	0	112.1	P630 S638 R678 F863 R864	P630-D634 PolarHBondContact O-N 3.32Å; D634-S638 PolarHBondContact O-N 3.02Å; D634-S638 PolarHBondContact O-OG 2.92Å; D634-S638 VanDerWaalsContact O-OG 3.1Å; D634-R678 IonicContact OD1-CZ 2.64Å; D634-R678 IonicContact OD1-NE 3.77Å; D634-R678 PolarHBondContact OD1-NE 3.32Å; D634-R678 IonicContact OD1-NH2 3.13Å; D634-R678 IonicContact OD2-CZ 3.7Å; D634-R678 IonicContact OD2-NE 2.64Å; D634-R678 PolarHBondContact OD2-NE 3.26Å; D634-R678 IonicContact OD2-NH2 2.66Å; D634-R678 PolarHBondContact OD2-NH2 3.31Å; D634-F863 HydrophobicContact CB-CB 3.84Å; D634-R864 HydrophobicContact CB-CG 4.23Å; D634-R864 WeakPolarHBondContact OD2-CD 3.47Å; D634-R864 WeakPolarHBondContact OD2-CG 3.36Å
635	F	95.7	Very high	93.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-66.3	-51.1	174.8	-170.7	-88.4	0	0	0	111.1	C631 L632 I633 R637 S638 I639 F714 L749 F863 L891 Y897 L1010 L1043	C631-F635 VanDerWaalsContact O-CB 3.24Å; C631-F635 WeakPolarHBondContact O-CB 3.41Å; C631-F635 PolarHBondContact O-N 2.89Å; L632-F635 PolarHBondContact O-N 3.34Å; I633-F635 VanDerWaalsContact C-N 3.31Å; I633-F635 PolarHBondContact O-N 2.73Å; F635-R637 VanDerWaalsContact C-N 3.3Å; F635-R637 PolarHBondContact O-N 3.16Å; F635-S638 VanDerWaalsContact O-CB 3.27Å; F635-S638 WeakPolarHBondContact O-CB 3.41Å; F635-S638 PolarHBondContact O-N 3.05Å; F635-I639 HydrophobicContact CD1-CD1 4.23Å; F635-I639 HydrophobicContact CE1-CD1 3.97Å; F635-F714 HydrophobicContact CD1-CE1 4.26Å; F635-F714 HydrophobicContact CD1-CE2 4.11Å; F635-F714 AromaticContact CD1-CZ 3.45Å; F635-F714 HydrophobicContact CD1-CZ 3.45Å; F635-F714 VanDerWaalsContact CD1-CZ 3.45Å; F635-F714 HydrophobicContact CE1-CE2 4.11Å; F635-F714 AromaticContact CE1-CZ 3.65Å; F635-F714 HydrophobicContact CE1-CZ 3.65Å; F635-L749 HydrophobicContact CB-CD2 3.97Å; F635-L749 HydrophobicContact CD1-CD2 4.2Å; F635-L749 HydrophobicContact CD2-CD1 4.22Å; F635-L749 HydrophobicContact CD2-CD2 4.07Å; F635-L749 HydrophobicContact CE1-CD1 4.31Å; F635-L749 HydrophobicContact CE2-CD1 3.98Å; F635-L749 HydrophobicContact CG-CD1 4.47Å; F635-L749 HydrophobicContact CG-CD2 3.81Å; F635-L749 HydrophobicContact CZ-CD1 4.03Å; F635-F863 HydrophobicContact CB-CD2 3.75Å; F635-F863 HydrophobicContact CB-CE2 3.86Å; F635-F863 HydrophobicContact CB-CG 4.28Å; F635-F863 HydrophobicContact CD2-CD1 4.04Å; F635-F863 HydrophobicContact CD2-CD2 4.15Å; F635-F863 AromaticContact CD2-CE1 3.75Å; F635-F863 HydrophobicContact CD2-CE1 3.75Å; F635-F863 AromaticContact CD2-CE2 3.82Å; F635-F863 HydrophobicContact CD2-CE2 3.82Å; F635-F863 HydrophobicContact CD2-CG 4.22Å; F635-F863 AromaticContact CD2-CZ 3.6Å; F635-F863 HydrophobicContact CD2-CZ 3.6Å; F635-F863 HydrophobicContact CE2-CE1 4.3Å; F635-F863 HydrophobicContact CE2-CZ 4.3Å; F635-F863 HydrophobicContact CG-CD2 4.46Å; F635-F863 HydrophobicContact CG-CE2 4.25Å; F635-F863 HydrophobicContact CG-CZ 4.44Å; F635-L891 HydrophobicContact CE1-CD1 4.43Å; F635-L891 HydrophobicContact CZ-CD1 3.9Å; F635-Y897 AromaticContact CD2-CE1 3.86Å; F635-Y897 HydrophobicContact CD2-CE1 3.86Å; F635-Y897 AromaticContact CE2-CE1 3.94Å; F635-Y897 HydrophobicContact CE2-CE1 3.94Å; F635-Y897 WeakPolarHBondContact CE2-OH 3.38Å; F635-L1010 HydrophobicContact CE2-CD1 4.01Å; F635-L1010 HydrophobicContact CE2-CD2 4.2Å; F635-L1010 HydrophobicContact CZ-CD1 4.17Å; F635-L1010 HydrophobicContact CZ-CD2 4.09Å; F635-L1043 HydrophobicContact CE1-CD1 3.98Å; F635-L1043 HydrophobicContact CE1-CD2 3.88Å; F635-L1043 HydrophobicContact CE1-CG 4.42Å; F635-L1043 HydrophobicContact CZ-CB 4.39Å; F635-L1043 HydrophobicContact CZ-CD1 4.42Å; F635-L1043 HydrophobicContact CZ-CD2 4.03Å
636	V	96.6	Very high	93.7	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-63.4	-37.6	179.1	172.9	0	0	0	0	111.5	V619 V621 L632 I633 S638 I639 T640 M646 F714	V619-V636 HydrophobicContact CB-CG1 3.79Å; V619-V636 HydrophobicContact CG1-CG1 3.78Å; V619-V636 HydrophobicContact CG1-CG2 4.38Å; V619-V636 HydrophobicContact CG2-CG1 4Å; V621-V636 HydrophobicContact CG1-CG2 4.28Å; V621-V636 HydrophobicContact CG2-CB 4.04Å; V621-V636 HydrophobicContact CG2-CG1 3.72Å; V621-V636 HydrophobicContact CG2-CG2 3.82Å; L632-V636 WeakPolarHBondContact O-CB 3.45Å; L632-V636 VanDerWaalsContact O-CG2 3.27Å; L632-V636 WeakPolarHBondContact O-CG2 3.4Å; L632-V636 PolarHBondContact O-N 2.94Å; I633-V636 PolarHBondContact O-N 3.5Å; V636-S638 PolarHBondContact O-N 3.47Å; V636-I639 WeakPolarHBondContact O-CA 3.48Å; V636-I639 WeakPolarHBondContact O-CB 3.34Å; V636-I639 PolarHBondContact O-N 2.92Å; V636-T640 HydrophobicContact CG1-CG2 3.97Å; V636-T640 PolarHBondContact O-N 3.05Å; V636-T640 PolarHBondContact O-OG1 3.32Å; V636-M646 HydrophobicContact CB-CE 4.02Å; V636-M646 HydrophobicContact CB-SD 4.43Å; V636-M646 HydrophobicContact CG1-CE 4.06Å; V636-M646 HydrophobicContact CG1-CG 4.1Å; V636-M646 HydrophobicContact CG1-SD 3.97Å; V636-F714 HydrophobicContact CG2-CB 4.18Å; V636-F714 HydrophobicContact CG2-CD1 3.59Å; V636-F714 HydrophobicContact CG2-CD2 3.67Å; V636-F714 HydrophobicContact CG2-CE1 3.82Å; V636-F714 HydrophobicContact CG2-CE2 3.89Å; V636-F714 HydrophobicContact CG2-CG 3.52Å; V636-F714 HydrophobicContact CG2-CZ 3.98Å
637	R	95.4	Very high	93.9	Very high	59 Å²	59	17.2 Å²	17.2	22%	0.223	9%	0.086	C	C	.	.	H	α-helix	trans	-55.3	-35.5	172.1	-176.9	-147.7	173.3	135.9	13.5	112.3	I633 F635 I639 T640 K641 D642 K679	I633-R637 VanDerWaalsContact O-CB 3.26Å; I633-R637 WeakPolarHBondContact O-CB 3.36Å; I633-R637 PolarHBondContact O-N 3.05Å; F635-R637 VanDerWaalsContact C-N 3.3Å; F635-R637 PolarHBondContact O-N 3.16Å; R637-I639 PolarHBondContact O-N 3.41Å; R637-T640 PolarHBondContact O-N 3.46Å; R637-K641 WeakPolarHBondContact O-CA 3.36Å; R637-K641 PolarHBondContact O-N 3.36Å; R637-D642 IonicContact NH2-OD2 3.97Å; R637-K679 PolarHBondContact NH1-O 3.4Å; R637-K679 PolarHBondContact NH2-O 3.06Å
638	S	94.9	Very high	94.1	Very high	5 Å²	5	17 Å²	17	4%	0.035	9%	0.085	C	C	.	.	H	α-helix	trans	-67.9	-23.5	177.2	-59	0	0	0	0	112.5	D634 F635 V636 K641 Y897	D634-S638 PolarHBondContact O-N 3.02Å; D634-S638 PolarHBondContact O-OG 2.92Å; D634-S638 VanDerWaalsContact O-OG 3.1Å; F635-S638 VanDerWaalsContact O-CB 3.27Å; F635-S638 WeakPolarHBondContact O-CB 3.41Å; F635-S638 PolarHBondContact O-N 3.05Å; V636-S638 PolarHBondContact O-N 3.47Å; S638-K641 WeakPolarHBondContact O-CE 3.49Å; S638-Y897 WeakPolarHBondContact OG-CD1 3.49Å
639	I	95.7	Very high	94.3	Very high	7 Å²	7	16.9 Å²	16.9	4%	0.036	8%	0.084	C	C	.	.	H	α-helix	trans	-82.8	-50.5	172.7	-55.3	171.8	0	0	0	110.4	P617 F635 V636 R637 F714 V887 L890 L891	P617-I639 HydrophobicContact CB-CG2 4.12Å; P617-I639 HydrophobicContact CG-CG2 4.27Å; F635-I639 HydrophobicContact CD1-CD1 4.23Å; F635-I639 HydrophobicContact CE1-CD1 3.97Å; V636-I639 WeakPolarHBondContact O-CA 3.48Å; V636-I639 WeakPolarHBondContact O-CB 3.34Å; V636-I639 PolarHBondContact O-N 2.92Å; R637-I639 PolarHBondContact O-N 3.41Å; I639-F714 HydrophobicContact CD1-CE2 3.98Å; I639-V887 HydrophobicContact CD1-CG1 3.79Å; I639-V887 HydrophobicContact CG1-CG1 4.24Å; I639-L890 HydrophobicContact CG2-CD1 4.09Å; I639-L891 HydrophobicContact CG1-CD2 3.87Å; I639-L891 HydrophobicContact CG1-CG 4.19Å
640	T	94.8	Very high	94.4	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.006	8%	0.075	C	C	.	.	H	α-helix	trans	-78.7	-26.3	-172.8	61.5	0	0	0	0	114.3	V619 V636 R637 D642 V643 S644 M646	V619-T640 HydrophobicContact CB-CG2 4.48Å; V619-T640 HydrophobicContact CG2-CG2 3.86Å; V636-T640 HydrophobicContact CG1-CG2 3.97Å; V636-T640 PolarHBondContact O-N 3.05Å; V636-T640 PolarHBondContact O-OG1 3.32Å; R637-T640 PolarHBondContact O-N 3.46Å; T640-D642 PolarHBondContact O-N 3.1Å; T640-V643 VanDerWaalsContact O-CG2 3.22Å; T640-V643 WeakPolarHBondContact O-CG2 3.14Å; T640-V643 PolarHBondContact O-N 3.05Å; T640-S644 PolarHBondContact O-N 3.04Å; T640-M646 HydrophobicContact CG2-CB 4.36Å
641	K	91	Very high	94.6	Very high	25 Å²	25	15 Å²	15	11%	0.109	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	32	174	-60.2	173.3	-175.8	162.8	0	115.3	R637 S638 V643 L890 S894 K895	R637-K641 WeakPolarHBondContact O-CA 3.36Å; R637-K641 PolarHBondContact O-N 3.36Å; S638-K641 WeakPolarHBondContact O-CE 3.49Å; K641-V643 HydrophobicContact CB-CG2 4.28Å; K641-V643 PolarHBondContact O-N 2.93Å; K641-L890 WeakPolarHBondContact CE-O 3.48Å; K641-L890 PolarHBondContact NZ-O 3.24Å; K641-S894 WeakPolarHBondContact CD-O 3.4Å; K641-S894 VanDerWaalsContact CE-O 3.27Å; K641-S894 WeakPolarHBondContact CE-O 3.36Å; K641-K895 HydrophobicContact CB-CD 4.46Å; K641-K895 HydrophobicContact CG-CB 4.36Å
642	D	87.3	Confident	94.6	Very high	45 Å²	45	15.6 Å²	15.6	24%	0.241	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	18.4	-177.2	-53.7	-49.6	0	0	0	113.9	R637 T640 K681	R637-D642 IonicContact NH2-OD2 3.97Å; T640-D642 PolarHBondContact O-N 3.1Å; D642-K681 HydrophobicContact CB-CB 4.34Å; D642-K681 HydrophobicContact CB-CD 3.91Å; D642-K681 HydrophobicContact CB-CG 4.16Å; D642-K681 WeakPolarHBondContact OD1-CB 3.32Å; D642-K681 PolarHBondContact OD1-N 3.48Å
643	V	91.2	Very high	94.5	Very high	84 Å²	84	19.3 Å²	19.3	51%	0.509	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.6	-2.5	178.2	-62.3	0	0	0	0	113.5	R616 T640 K641	R616-V643 PolarHBondContact NH1-O 2.81Å; T640-V643 VanDerWaalsContact O-CG2 3.22Å; T640-V643 WeakPolarHBondContact O-CG2 3.14Å; T640-V643 PolarHBondContact O-N 3.05Å; K641-V643 HydrophobicContact CB-CG2 4.28Å; K641-V643 PolarHBondContact O-N 2.93Å
644	S	93.5	Very high	94.2	Very high	19 Å²	19	21.5 Å²	21.5	13%	0.133	12%	0.117	C	C	.	.	S	Bend	trans	-129	155.1	174.8	-49.1	0	0	0	0	110.2	P617 T640 M646	P617-S644 WeakPolarHBondContact O-CB 3.37Å; T640-S644 PolarHBondContact O-N 3.04Å; S644-M646 PolarHBondContact O-N 3.33Å
645	L	95.6	Very high	93.9	Very high	19 Å²	19	26.9 Å²	26.9	10%	0.099	16%	0.155	C	C	.	.			trans	-62.1	135.8	-178.4	-179.1	65.4	0	0	0	110.9	Q618 V619 V647 F683 L708 P710	Q618-L645 HydrophobicContact CB-CB 3.98Å; Q618-L645 HydrophobicContact CB-CD2 4.43Å; Q618-L645 HydrophobicContact CG-CB 4.11Å; V619-L645 PolarHBondContact N-O 3.06Å; L645-V647 HydrophobicContact CD1-CG2 4.03Å; L645-V647 HydrophobicContact CD2-CG2 4.19Å; L645-V647 HydrophobicContact CG-CG2 3.99Å; L645-F683 HydrophobicContact CD1-CD2 3.59Å; L645-F683 HydrophobicContact CD1-CE2 3.64Å; L645-L708 HydrophobicContact CD2-CB 4.48Å; L645-L708 WeakPolarHBondContact CD2-O 3.2Å; L645-P710 HydrophobicContact CD2-CG 4.33Å
646	M	96.8	Very high	93.4	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.01	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	118.6	172.4	-177	178.5	173.4	0	0	108.8	V619 V621 I633 V636 T640 S644 V680 A682 F683	V619-M646 WeakPolarHBondContact O-CA 3.46Å; V621-M646 HydrophobicContact CG2-CE 4.06Å; V621-M646 HydrophobicContact CG2-CG 4.2Å; I633-M646 HydrophobicContact CB-CE 3.98Å; I633-M646 HydrophobicContact CG1-CE 4.28Å; I633-M646 HydrophobicContact CG2-CE 3.6Å; I633-M646 WeakPolarHBondContact O-CE 3.47Å; V636-M646 HydrophobicContact CB-CE 4.02Å; V636-M646 HydrophobicContact CB-SD 4.43Å; V636-M646 HydrophobicContact CG1-CE 4.06Å; V636-M646 HydrophobicContact CG1-CG 4.1Å; V636-M646 HydrophobicContact CG1-SD 3.97Å; T640-M646 HydrophobicContact CG2-CB 4.36Å; S644-M646 PolarHBondContact O-N 3.33Å; M646-V680 HydrophobicContact SD-CG1 4.2Å; M646-A682 HydrophobicContact CB-CB 4.05Å; M646-A682 HydrophobicContact CE-CB 4.38Å; M646-A682 HydrophobicContact CG-CB 3.82Å; M646-A682 CarbonylContact O-C 3.53Å; M646-A682 WeakPolarHBondContact O-CA 3.19Å; M646-A682 HydrophobicContact SD-CB 3.89Å; M646-F683 PolarHBondContact O-N 3.03Å
647	V	97.5	Very high	92.8	Very high	8 Å²	8	31.6 Å²	31.6	5%	0.048	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	123.2	178.3	-175.5	0	0	0	0	108.4	V619 L620 V621 L645 F683 A685 P710	V619-V647 PolarHBondContact O-N 3.12Å; L620-V647 HydrophobicContact CD1-CB 3.91Å; L620-V647 HydrophobicContact CD1-CG1 3.82Å; V621-V647 PolarHBondContact N-O 3.05Å; L645-V647 HydrophobicContact CD1-CG2 4.03Å; L645-V647 HydrophobicContact CD2-CG2 4.19Å; L645-V647 HydrophobicContact CG-CG2 3.99Å; V647-F683 HydrophobicContact CG2-CB 4.43Å; V647-A685 HydrophobicContact CG1-CB 3.63Å; V647-P710 HydrophobicContact CG2-CG 4.23Å
648	C	97.3	Very high	92.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	100.3	174.7	-59.8	0	0	0	0	108.6	T623 F683 Y684 A685	T623-C648 HydrophobicContact CG2-CB 4.05Å; C648-F683 PolarHBondContact N-O 3.15Å; C648-Y684 HydrophobicContact CB-CD2 4.23Å; C648-A685 PolarHBondContact O-N 3.32Å
649	G	96.6	Very high	91.4	Very high	2 Å²	2	37 Å²	37	2%	0.021	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	128.3	177.1	0	0	0	0	0	111.9	V621 T623 G624	V621-G649 PolarHBondContact O-N 2.74Å; T623-G649 PolarHBondContact N-O 3.21Å; T623-G649 PolarHBondContact OG1-O 3.34Å; G624-G649 PolarHBondContact N-O 3.5Å
650	H	95.5	Very high	90.7	Very high	19 Å²	19	36.9 Å²	36.9	9%	0.088	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	103.5	177.8	-174.9	-158.2	0	0	0	111	G624 N625 I652 Y684 A685 P686 V687	G624-H650 VanDerWaalsContact C-CG 3.43Å; G624-H650 VanDerWaalsContact CA-CD2 3.48Å; G624-H650 WeakPolarHBondContact CA-CD2 3.39Å; G624-H650 VanDerWaalsContact O-CB 3.24Å; G624-H650 WeakPolarHBondContact O-CB 3.43Å; G624-H650 PolarHBondContact O-CD2 3.5Å; N625-H650 PolarHBondContact N-CD2 3.42Å; N625-H650 VanDerWaalsContact N-CD2 3.25Å; N625-H650 PolarHBondContact N-NE2 3.32Å; H650-I652 VanDerWaalsContact CE1-CG1 3.4Å; H650-I652 WeakPolarHBondContact CE1-CG1 3.2Å; H650-Y684 HydrophobicContact CB-CE2 3.63Å; H650-Y684 AromaticContact ND1-CZ 3.83Å; H650-Y684 PolarHBondContact ND1-OH 2.89Å; H650-A685 PolarHBondContact N-O 2.75Å; H650-P686 CarbonylContact O-C 3.41Å; H650-P686 WeakPolarHBondContact O-CA 3.19Å; H650-V687 PolarHBondContact O-N 3.33Å
651	V	95.3	Very high	90.1	Very high	18 Å²	18	40.3 Å²	40.3	11%	0.109	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	122.1	169.8	-175.4	0	0	0	0	108.8	T653 V687 V689 Y692 I696 L699	V651-T653 HydrophobicContact CG1-CG2 4.46Å; V651-V687 CarbonylContact C-O 3.58Å; V651-V687 WeakPolarHBondContact CA-O 3.4Å; V651-V689 HydrophobicContact CG1-CG2 3.59Å; V651-Y692 HydrophobicContact CB-CD2 4.02Å; V651-Y692 HydrophobicContact CB-CE2 4.05Å; V651-Y692 HydrophobicContact CG1-CD2 3.87Å; V651-Y692 HydrophobicContact CG1-CE2 4.4Å; V651-Y692 HydrophobicContact CG1-CG 4.49Å; V651-Y692 HydrophobicContact CG2-CE2 4.48Å; V651-I696 HydrophobicContact CG2-CD1 3.88Å; V651-I696 HydrophobicContact CG2-CG1 4.31Å; V651-L699 HydrophobicContact CG2-CD1 3.58Å
652	I	93.3	Very high	89.2	Confident	13 Å²	13	41 Å²	41	7%	0.067	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	114.6	177.1	-60.1	162.4	0	0	0	107	H650 L654 L660 M664 V687 V688 V689 P775	H650-I652 VanDerWaalsContact CE1-CG1 3.4Å; H650-I652 WeakPolarHBondContact CE1-CG1 3.2Å; I652-L654 HydrophobicContact CG2-CD1 4.03Å; I652-L654 HydrophobicContact CG2-CG 4.18Å; I652-L660 HydrophobicContact CD1-CD2 4.04Å; I652-L660 HydrophobicContact CG2-CD2 3.93Å; I652-M664 HydrophobicContact CD1-CE 3.46Å; I652-M664 VanDerWaalsContact CD1-CE 3.46Å; I652-M664 HydrophobicContact CD1-SD 4.44Å; I652-V687 PolarHBondContact N-O 3.34Å; I652-V688 HydrophobicContact CB-CG2 4.37Å; I652-V688 HydrophobicContact CD1-CG2 4.27Å; I652-V688 WeakPolarHBondContact O-CA 3.43Å; I652-V689 PolarHBondContact O-N 2.97Å; I652-P775 HydrophobicContact CD1-CB 4.31Å; I652-P775 HydrophobicContact CD1-CG 3.98Å; I652-P775 HydrophobicContact CG1-CG 4.38Å; I652-P775 HydrophobicContact CG2-CG 4.09Å
653	T	91.6	Very high	88.5	Confident	78 Å²	78	39.9 Å²	39.9	48%	0.479	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	120.7	178.6	47.2	0	0	0	0	111.2	V651 V689 Y692	V651-T653 HydrophobicContact CG1-CG2 4.46Å; T653-V689 VanDerWaalsContact CA-O 3.23Å; T653-V689 WeakPolarHBondContact CA-O 3.45Å; T653-Y692 HydrophobicContact CG2-CD2 4.49Å
654	L	88.9	Confident	88.2	Confident	45 Å²	45	36.8 Å²	36.8	24%	0.236	24%	0.237	C	C	.	.			trans	-140.8	142.4	177.7	-76.5	166.8	0	0	0	109.5	I652 N656 L660 V688 V689 E690 V776	I652-L654 HydrophobicContact CG2-CD1 4.03Å; I652-L654 HydrophobicContact CG2-CG 4.18Å; L654-N656 PolarHBondContact O-N 2.95Å; L654-L660 HydrophobicContact CD1-CB 3.76Å; L654-L660 HydrophobicContact CD1-CD2 3.74Å; L654-L660 HydrophobicContact CD1-CG 4.36Å; L654-V688 HydrophobicContact CB-CG1 4.45Å; L654-V688 HydrophobicContact CD1-CG1 3.92Å; L654-V689 PolarHBondContact N-O 3.43Å; L654-E690 WeakPolarHBondContact O-CA 3.37Å; L654-E690 WeakPolarHBondContact O-CG 3.35Å; L654-V776 HydrophobicContact CD1-CG2 4.17Å; L654-V776 HydrophobicContact CD2-CG2 3.82Å
655	S	87.7	Confident	87.6	Confident	116 Å²	116	39.1 Å²	39.1	81%	0.811	26%	0.258	S	S	*	.	S	Bend	trans	-62.1	-28.4	177.3	-52.3	0	0	0	0	113.1
656	N	85.7	Confident	87	Confident	74 Å²	74	40 Å²	40	40%	0.396	27%	0.266	S	S	.	.	S	Bend	trans	-131.8	93.8	175.2	-174.3	12.7	0	0	0	109.3	L654 S658 D659	L654-N656 PolarHBondContact O-N 2.95Å; N656-S658 PolarHBondContact O-N 2.94Å; N656-D659 WeakPolarHBondContact CB-OD2 3.4Å; N656-D659 VanDerWaalsContact ND2-CG 3.32Å; N656-D659 PolarHBondContact ND2-OD1 3.22Å; N656-D659 PolarHBondContact ND2-OD2 3.45Å; N656-D659 WeakPolarHBondContact O-CB 3.09Å; N656-D659 PolarHBondContact O-N 2.87Å
657	P	84.2	Confident	86.5	Confident	24 Å²	24	40.1 Å²	40.1	16%	0.156	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-32.9	-175.9	-29	36.9	0	0	0	114.2	D659 L660 C661 V688 E690	P657-D659 PolarHBondContact O-N 2.89Å; P657-D659 VanDerWaalsContact O-N 3.14Å; P657-L660 PolarHBondContact O-N 3.08Å; P657-L660 VanDerWaalsContact O-N 3.13Å; P657-C661 PolarHBondContact O-N 3.48Å; P657-C661 PolarHBondContact O-SG 3.28Å; P657-V688 HydrophobicContact CB-CB 4.45Å; P657-V688 HydrophobicContact CB-CG1 3.9Å; P657-E690 HydrophobicContact CG-CG 3.89Å
658	S	82.3	Confident	86.2	Confident	84 Å²	84	40.8 Å²	40.8	59%	0.587	27%	0.27	S	S	*	.	H	α-helix	trans	-55.9	-30.9	179.9	-58.6	0	0	0	0	112.9	N656 L660 C661	N656-S658 PolarHBondContact O-N 2.94Å; S658-L660 PolarHBondContact O-N 2.78Å; S658-L660 VanDerWaalsContact O-N 3.14Å; S658-C661 PolarHBondContact O-N 3.44Å
659	D	78.1	Confident	85.8	Confident	95 Å²	95	46 Å²	46	51%	0.508	30%	0.298	S	S	.	.	H	α-helix	trans	-64.9	-18.2	-178.5	-68.5	-16.2	0	0	0	113.3	N656 P657 K779	N656-D659 WeakPolarHBondContact CB-OD2 3.4Å; N656-D659 VanDerWaalsContact ND2-CG 3.32Å; N656-D659 PolarHBondContact ND2-OD1 3.22Å; N656-D659 PolarHBondContact ND2-OD2 3.45Å; N656-D659 WeakPolarHBondContact O-CB 3.09Å; N656-D659 PolarHBondContact O-N 2.87Å; P657-D659 PolarHBondContact O-N 2.89Å; P657-D659 VanDerWaalsContact O-N 3.14Å; D659-K779 WeakPolarHBondContact O-CD 3.38Å; D659-K779 WeakPolarHBondContact O-CE 3.43Å; D659-K779 PolarHBondContact O-NZ 3.25Å
660	L	81.6	Confident	85.5	Confident	4 Å²	4	51.5 Å²	51.5	2%	0.021	32%	0.318	C	S	.	.	H	α-helix	trans	-111.3	-25.3	179.7	-170.9	62.2	0	0	0	113.3	I652 L654 P657 S658 G662 G663 M664 V688 P775 K779	I652-L660 HydrophobicContact CD1-CD2 4.04Å; I652-L660 HydrophobicContact CG2-CD2 3.93Å; L654-L660 HydrophobicContact CD1-CB 3.76Å; L654-L660 HydrophobicContact CD1-CD2 3.74Å; L654-L660 HydrophobicContact CD1-CG 4.36Å; P657-L660 PolarHBondContact O-N 3.08Å; P657-L660 VanDerWaalsContact O-N 3.13Å; S658-L660 PolarHBondContact O-N 2.78Å; S658-L660 VanDerWaalsContact O-N 3.14Å; L660-G662 PolarHBondContact O-N 3.34Å; L660-G663 PolarHBondContact O-N 3.47Å; L660-G663 VanDerWaalsContact O-N 3.08Å; L660-M664 HydrophobicContact CD2-SD 4.25Å; L660-M664 HydrophobicContact CG-SD 4.18Å; L660-M664 PolarHBondContact O-N 3.39Å; L660-V688 HydrophobicContact CB-CG1 4.35Å; L660-V688 HydrophobicContact CD2-CG1 4.44Å; L660-V688 HydrophobicContact CD2-CG2 4Å; L660-V688 HydrophobicContact CG-CG2 4.46Å; L660-P775 HydrophobicContact CD1-CB 4.16Å; L660-P775 HydrophobicContact CD2-CB 3.79Å; L660-P775 HydrophobicContact CD2-CG 3.99Å; L660-K779 HydrophobicContact CD1-CB 4.16Å; L660-K779 HydrophobicContact CD1-CD 4.32Å
661	C	81.3	Confident	85.4	Confident	72 Å²	72	50.6 Å²	50.6	49%	0.486	31%	0.314	S	S	.	.	H	α-helix	trans	-52.3	-47.2	-173	-72.8	0	0	0	0	114	P657 S658 G663 M664	P657-C661 PolarHBondContact O-N 3.48Å; P657-C661 PolarHBondContact O-SG 3.28Å; S658-C661 PolarHBondContact O-N 3.44Å; C661-G663 VanDerWaalsContact C-N 3.25Å; C661-G663 PolarHBondContact O-N 2.95Å; C661-M664 WeakPolarHBondContact O-CB 3.32Å; C661-M664 PolarHBondContact O-N 2.98Å; C661-M664 VanDerWaalsContact O-N 3.11Å
662	G	72.2	Confident	85.3	Confident	40 Å²	40	52.9 Å²	52.9	41%	0.412	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-23.1	-178.6	0	0	0	0	0	115.5	L660	L660-G662 PolarHBondContact O-N 3.34Å
663	G	72.7	Confident	85.2	Confident	21 Å²	21	53.7 Å²	53.7	22%	0.216	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-8.6	177.2	0	0	0	0	0	114	L660 C661 A665 S666 W667	L660-G663 PolarHBondContact O-N 3.47Å; L660-G663 VanDerWaalsContact O-N 3.08Å; C661-G663 VanDerWaalsContact C-N 3.25Å; C661-G663 PolarHBondContact O-N 2.95Å; G663-A665 PolarHBondContact O-N 2.99Å; G663-S666 PolarHBondContact O-N 3.21Å; G663-W667 PolarHBondContact O-N 2.88Å
664	M	83.7	Confident	85.3	Confident	19 Å²	19	50.2 Å²	50.2	9%	0.094	31%	0.313	C	S	.	.	H	α-helix	trans	-72.2	-30.7	-161.9	-156.1	58	-170.8	0	0	113.6	I652 L660 C661 S666 W667 T668 Y684 P686	I652-M664 HydrophobicContact CD1-CE 3.46Å; I652-M664 VanDerWaalsContact CD1-CE 3.46Å; I652-M664 HydrophobicContact CD1-SD 4.44Å; L660-M664 HydrophobicContact CD2-SD 4.25Å; L660-M664 HydrophobicContact CG-SD 4.18Å; L660-M664 PolarHBondContact O-N 3.39Å; C661-M664 WeakPolarHBondContact O-CB 3.32Å; C661-M664 PolarHBondContact O-N 2.98Å; C661-M664 VanDerWaalsContact O-N 3.11Å; M664-S666 PolarHBondContact O-N 3.24Å; M664-W667 HydrophobicContact CE-CG 4.05Å; M664-W667 PolarHBondContact O-N 3.39Å; M664-W667 HydrophobicContact SD-CB 4.17Å; M664-W667 HydrophobicContact SD-CG 4.14Å; M664-T668 WeakPolarHBondContact O-CB 3.34Å; M664-T668 PolarHBondContact O-N 2.9Å; M664-T668 PolarHBondContact O-OG1 2.98Å; M664-Y684 HydrophobicContact CE-CE1 4.42Å; M664-P686 HydrophobicContact CE-CB 3.14Å; M664-P686 HydrophobicContact CE-CG 3.63Å; M664-P686 HydrophobicContact CG-CB 4.42Å; M664-P686 HydrophobicContact CG-CG 4.12Å
665	A	82.6	Confident	85.6	Confident	69 Å²	69	48.2 Å²	48.2	57%	0.57	30%	0.303	S	S	*	.	H	α-helix	trans	-61.9	-42.3	175.4	0	0	0	0	0	112.3	G663 T668 N669	G663-A665 PolarHBondContact O-N 2.99Å; A665-T668 PolarHBondContact O-N 3.26Å; A665-N669 VanDerWaalsContact O-CG 3.29Å; A665-N669 PolarHBondContact O-N 3.48Å; A665-N669 PolarHBondContact O-ND2 3.46Å
666	S	82	Confident	85.7	Confident	38 Å²	38	49.8 Å²	49.8	27%	0.266	30%	0.297	S	S	.	.	H	α-helix	trans	-63.4	-45	177	-177.5	0	0	0	0	111.1	G663 M664 N669 R670	G663-S666 PolarHBondContact O-N 3.21Å; M664-S666 PolarHBondContact O-N 3.24Å; S666-N669 PolarHBondContact O-N 2.93Å; S666-R670 WeakPolarHBondContact O-CG 3.39Å; S666-R670 PolarHBondContact O-N 3.5Å; S666-R670 VanDerWaalsContact O-N 3.1Å
667	W	86	Confident	86	Confident	3 Å²	3	52.9 Å²	52.9	1%	0.011	30%	0.303	C	S	.	.	H	α-helix	trans	-60.3	-49.9	176.4	173.2	-93.9	0	0	0	112.7	G663 M664 N669 R670 I671 Y684 L772 P775 F778	G663-W667 PolarHBondContact O-N 2.88Å; M664-W667 HydrophobicContact CE-CG 4.05Å; M664-W667 PolarHBondContact O-N 3.39Å; M664-W667 HydrophobicContact SD-CB 4.17Å; M664-W667 HydrophobicContact SD-CG 4.14Å; W667-N669 VanDerWaalsContact C-N 3.31Å; W667-N669 PolarHBondContact O-N 3.35Å; W667-R670 WeakPolarHBondContact O-CB 3.37Å; W667-R670 PolarHBondContact O-N 3.31Å; W667-I671 HydrophobicContact CD2-CD1 4.34Å; W667-I671 HydrophobicContact CZ2-CD1 3.92Å; W667-I671 PolarHBondContact O-N 3.36Å; W667-Y684 AromaticContact CD1-CE1 3.86Å; W667-Y684 AromaticContact NE1-CE1 3.87Å; W667-Y684 AromaticContact NE1-CZ 3.86Å; W667-Y684 PolarHBondContact NE1-OH 3.34Å; W667-Y684 VanDerWaalsContact NE1-OH 3.08Å; W667-L772 HydrophobicContact CE3-CD2 3.88Å; W667-L772 VanDerWaalsContact CH2-CA 3.42Å; W667-L772 HydrophobicContact CH2-CB 4Å; W667-L772 WeakPolarHBondContact CH2-O 3.49Å; W667-L772 VanDerWaalsContact CZ2-O 3.31Å; W667-L772 WeakPolarHBondContact CZ2-O 3.3Å; W667-L772 HydrophobicContact CZ3-CB 4.04Å; W667-L772 HydrophobicContact CZ3-CD2 3.78Å; W667-P775 HydrophobicContact CD2-CB 4.19Å; W667-P775 HydrophobicContact CE3-CB 4.46Å; W667-P775 VanDerWaalsContact CH2-CA 3.49Å; W667-P775 HydrophobicContact CH2-CB 3.96Å; W667-P775 HydrophobicContact CZ2-CB 3.77Å; W667-P775 HydrophobicContact CZ2-CG 4.44Å; W667-P775 HydrophobicContact CZ3-CB 4.36Å; W667-F778 HydrophobicContact CB-CD1 4.37Å; W667-F778 HydrophobicContact CB-CE1 4.16Å; W667-F778 HydrophobicContact CD2-CD1 4.42Å; W667-F778 HydrophobicContact CE3-CB 3.62Å; W667-F778 AromaticContact CE3-CD1 3.44Å; W667-F778 HydrophobicContact CE3-CD1 3.44Å; W667-F778 VanDerWaalsContact CE3-CD1 3.44Å; W667-F778 AromaticContact CE3-CD2 3.85Å; W667-F778 HydrophobicContact CE3-CD2 3.85Å; W667-F778 HydrophobicContact CE3-CE1 4.01Å; W667-F778 HydrophobicContact CE3-CE2 4.37Å; W667-F778 AromaticContact CE3-CG 3.35Å; W667-F778 HydrophobicContact CE3-CG 3.35Å; W667-F778 HydrophobicContact CE3-CZ 4.45Å; W667-F778 HydrophobicContact CH2-CB 4.42Å; W667-F778 HydrophobicContact CZ3-CB 3.31Å; W667-F778 HydrophobicContact CZ3-CD1 4.09Å; W667-F778 AromaticContact CZ3-CD2 3.91Å; W667-F778 HydrophobicContact CZ3-CD2 3.91Å; W667-F778 AromaticContact CZ3-CG 3.51Å; W667-F778 HydrophobicContact CZ3-CG 3.51Å
668	T	91.1	Very high	86.3	Confident	23 Å²	23	52.8 Å²	52.8	14%	0.141	30%	0.299	C	S	.	.	H	α-helix	trans	-55.1	-46.2	177.2	-68.8	0	0	0	0	111.4	M664 A665 R670 I671 H672 Y684 P686	M664-T668 WeakPolarHBondContact O-CB 3.34Å; M664-T668 PolarHBondContact O-N 2.9Å; M664-T668 PolarHBondContact O-OG1 2.98Å; A665-T668 PolarHBondContact O-N 3.26Å; T668-R670 VanDerWaalsContact C-N 3.31Å; T668-R670 PolarHBondContact O-N 2.97Å; T668-I671 PolarHBondContact O-N 2.88Å; T668-H672 WeakPolarHBondContact CG2-CE1 3.39Å; T668-H672 PolarHBondContact O-N 3.26Å; T668-H672 PolarHBondContact O-ND1 3.44Å; T668-Y684 HydrophobicContact CG2-CD1 4.08Å; T668-P686 WeakPolarHBondContact OG1-CG 3.37Å
669	N	88.8	Confident	86.7	Confident	108 Å²	108	56 Å²	56	58%	0.578	30%	0.303	S	S	*	.	H	α-helix	trans	-61.4	-37.2	176.5	-73.6	-23.6	0	0	0	112.6	A665 S666 W667 H672 G673	A665-N669 VanDerWaalsContact O-CG 3.29Å; A665-N669 PolarHBondContact O-N 3.48Å; A665-N669 PolarHBondContact O-ND2 3.46Å; S666-N669 PolarHBondContact O-N 2.93Å; W667-N669 VanDerWaalsContact C-N 3.31Å; W667-N669 PolarHBondContact O-N 3.35Å; N669-H672 PolarHBondContact O-N 3.19Å; N669-G673 PolarHBondContact O-N 2.59Å
670	R	90.2	Very high	87.4	Confident	119 Å²	119	51.8 Å²	51.8	45%	0.449	28%	0.28	S	S	.	.	H	α-helix	trans	-66.7	-40	175.4	-68.5	-69.2	-171.9	154.8	1.9	112.1	S666 W667 T668 G673 W674 L772 F778	S666-R670 WeakPolarHBondContact O-CG 3.39Å; S666-R670 PolarHBondContact O-N 3.5Å; S666-R670 VanDerWaalsContact O-N 3.1Å; W667-R670 WeakPolarHBondContact O-CB 3.37Å; W667-R670 PolarHBondContact O-N 3.31Å; T668-R670 VanDerWaalsContact C-N 3.31Å; T668-R670 PolarHBondContact O-N 2.97Å; R670-G673 PolarHBondContact O-N 3.14Å; R670-W674 PolarHBondContact O-N 2.92Å; R670-L772 HydrophobicContact CB-CD1 4.03Å; R670-L772 HydrophobicContact CB-CD2 3.67Å; R670-L772 HydrophobicContact CG-CD2 4.32Å; R670-F778 HydrophobicContact CG-CE2 4.12Å; R670-F778 HydrophobicContact CG-CZ 3.88Å
671	I	93.8	Very high	87.9	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-67.7	-42.2	175.6	-73.8	-178.5	0	0	0	111.4	P626 W667 T668 G673 W674 L675 Y684 L772	P626-I671 HydrophobicContact CG-CD1 4.08Å; P626-I671 HydrophobicContact CG-CG2 3.59Å; W667-I671 HydrophobicContact CD2-CD1 4.34Å; W667-I671 HydrophobicContact CZ2-CD1 3.92Å; W667-I671 PolarHBondContact O-N 3.36Å; T668-I671 PolarHBondContact O-N 2.88Å; I671-G673 PolarHBondContact O-N 3.13Å; I671-W674 WeakPolarHBondContact O-CA 3.32Å; I671-W674 WeakPolarHBondContact O-CB 3.29Å; I671-W674 PolarHBondContact O-N 3.19Å; I671-L675 HydrophobicContact CG2-CD1 4.17Å; I671-L675 HydrophobicContact CG2-CG 4.44Å; I671-L675 WeakPolarHBondContact O-CG 3.49Å; I671-L675 PolarHBondContact O-N 3.2Å; I671-Y684 HydrophobicContact CB-CD1 4.06Å; I671-Y684 HydrophobicContact CB-CE1 4.27Å; I671-Y684 HydrophobicContact CB-CG 4.33Å; I671-Y684 HydrophobicContact CD1-CD1 4.15Å; I671-Y684 HydrophobicContact CD1-CD2 4.48Å; I671-Y684 HydrophobicContact CD1-CE1 3.52Å; I671-Y684 HydrophobicContact CD1-CE2 3.88Å; I671-Y684 WeakPolarHBondContact CD1-OH 3.41Å; I671-Y684 HydrophobicContact CG1-CE1 4.43Å; I671-Y684 HydrophobicContact CG2-CD1 3.84Å; I671-Y684 HydrophobicContact CG2-CD2 3.84Å; I671-Y684 HydrophobicContact CG2-CE1 4.28Å; I671-Y684 HydrophobicContact CG2-CE2 4.26Å; I671-Y684 HydrophobicContact CG2-CG 3.59Å; I671-L772 HydrophobicContact CG1-CD1 4.21Å
672	H	93.4	Very high	88.5	Confident	65 Å²	65	55.9 Å²	55.9	30%	0.301	29%	0.293	S	S	.	.	H	α-helix	trans	-58	-41	171.1	-67.2	148.6	0	0	0	111.2	T668 N669 W674 L675 H676	T668-H672 WeakPolarHBondContact CG2-CE1 3.39Å; T668-H672 PolarHBondContact O-N 3.26Å; T668-H672 PolarHBondContact O-ND1 3.44Å; N669-H672 PolarHBondContact O-N 3.19Å; H672-W674 VanDerWaalsContact C-N 3.33Å; H672-W674 PolarHBondContact O-N 3.44Å; H672-L675 PolarHBondContact O-N 3.08Å; H672-H676 VanDerWaalsContact O-CB 3.29Å; H672-H676 WeakPolarHBondContact O-CB 3.41Å; H672-H676 PolarHBondContact O-N 3Å
673	G	91.5	Very high	89.6	Confident	31 Å²	31	60.2 Å²	60.2	32%	0.32	30%	0.301	S	S	.	.	H	α-helix	trans	-60.4	-38.7	172.8	0	0	0	0	0	113.4	N669 R670 I671 R677	N669-G673 PolarHBondContact O-N 2.59Å; R670-G673 PolarHBondContact O-N 3.14Å; I671-G673 PolarHBondContact O-N 3.13Å; G673-R677 WeakPolarHBondContact O-CB 3.47Å; G673-R677 VanDerWaalsContact O-CG 3.32Å; G673-R677 WeakPolarHBondContact O-CG 3.12Å; G673-R677 PolarHBondContact O-N 3.14Å; G673-R677 PolarHBondContact O-NE 3.37Å
674	W	93.7	Very high	90.7	Very high	5 Å²	5	59.8 Å²	59.8	2%	0.019	29%	0.292	C	S	.	.	H	α-helix	trans	-68.1	-45.7	174.1	-179.5	91.4	0	0	0	112.2	P626 V627 P630 I633 R670 I671 H672 H676 R677 R678 D768 L772	P626-W674 HydrophobicContact CB-CZ3 4.29Å; P626-W674 WeakPolarHBondContact O-CH2 3.26Å; V627-W674 HydrophobicContact CB-CZ2 4.39Å; V627-W674 HydrophobicContact CG1-CZ2 4.23Å; V627-W674 HydrophobicContact CG2-CD2 3.92Å; V627-W674 HydrophobicContact CG2-CE3 4.22Å; V627-W674 HydrophobicContact CG2-CG 4.26Å; V627-W674 HydrophobicContact CG2-CZ2 4.28Å; P630-W674 HydrophobicContact CB-CH2 4.22Å; I633-W674 HydrophobicContact CD1-CH2 4.4Å; I633-W674 HydrophobicContact CD1-CZ3 4.06Å; R670-W674 PolarHBondContact O-N 2.92Å; I671-W674 WeakPolarHBondContact O-CA 3.32Å; I671-W674 WeakPolarHBondContact O-CB 3.29Å; I671-W674 PolarHBondContact O-N 3.19Å; H672-W674 VanDerWaalsContact C-N 3.33Å; H672-W674 PolarHBondContact O-N 3.44Å; W674-H676 VanDerWaalsContact C-N 3.33Å; W674-H676 PolarHBondContact O-N 3.2Å; W674-R677 PolarHBondContact O-N 3.45Å; W674-R678 WeakPolarHBondContact O-CB 3.42Å; W674-R678 PolarHBondContact O-N 3.02Å; W674-D768 PolarHBondContact NE1-O 2.85Å; W674-L772 HydrophobicContact CB-CD1 4.27Å
675	L	94.2	Very high	91.2	Very high	2 Å²	2	60 Å²	60	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-58.8	-44.8	175.2	-72.4	169.6	0	0	0	111.3	I633 I671 H672 R678 K679 V680 A682	I633-L675 HydrophobicContact CD1-CD2 4.31Å; I633-L675 HydrophobicContact CG2-CD2 4.32Å; I671-L675 HydrophobicContact CG2-CD1 4.17Å; I671-L675 HydrophobicContact CG2-CG 4.44Å; I671-L675 WeakPolarHBondContact O-CG 3.49Å; I671-L675 PolarHBondContact O-N 3.2Å; H672-L675 PolarHBondContact O-N 3.08Å; L675-R678 CarbonylContact O-C 3.29Å; L675-R678 PolarHBondContact O-N 3.33Å; L675-K679 PolarHBondContact O-N 3.25Å; L675-V680 HydrophobicContact CD2-CB 4.33Å; L675-V680 HydrophobicContact CD2-CG1 4.43Å; L675-V680 PolarHBondContact O-N 3.35Å; L675-A682 HydrophobicContact CD1-CB 4.42Å
676	H	91.2	Very high	91.8	Very high	149 Å²	149	58.3 Å²	58.3	69%	0.69	28%	0.281	S	S	*	.	H	α-helix	trans	-61.5	-45.2	176.6	-176.7	-89.7	0	0	0	111.8	H672 W674 R678 K679	H672-H676 VanDerWaalsContact O-CB 3.29Å; H672-H676 WeakPolarHBondContact O-CB 3.41Å; H672-H676 PolarHBondContact O-N 3Å; W674-H676 VanDerWaalsContact C-N 3.33Å; W674-H676 PolarHBondContact O-N 3.2Å; H676-R678 VanDerWaalsContact C-N 3.31Å; H676-R678 PolarHBondContact O-N 3.45Å; H676-K679 WeakPolarHBondContact O-CA 3.25Å; H676-K679 PolarHBondContact O-N 3.11Å
677	R	90.8	Very high	92.3	Very high	139 Å²	139	57.6 Å²	57.6	53%	0.525	28%	0.275	S	S	.	.	H	α-helix	trans	-63.4	-34.8	174.5	-75	-175.4	-67.9	154	6.3	112.5	G673 W674 K679 D768	G673-R677 WeakPolarHBondContact O-CB 3.47Å; G673-R677 VanDerWaalsContact O-CG 3.32Å; G673-R677 WeakPolarHBondContact O-CG 3.12Å; G673-R677 PolarHBondContact O-N 3.14Å; G673-R677 PolarHBondContact O-NE 3.37Å; W674-R677 PolarHBondContact O-N 3.45Å; R677-K679 PolarHBondContact O-N 3.4Å; R677-D768 IonicContact CZ-OD1 2.72Å; R677-D768 IonicContact CZ-OD2 2.96Å; R677-D768 VanDerWaalsContact CZ-OD2 3.28Å; R677-D768 IonicContact NE-OD2 2.62Å; R677-D768 VanDerWaalsContact NH1-CG 3.32Å; R677-D768 IonicContact NH1-OD1 3.54Å; R677-D768 PolarHBondContact NH1-OD1 3.18Å; R677-D768 IonicContact NH1-OD2 2.87Å; R677-D768 PolarHBondContact NH1-OD2 2.97Å; R677-D768 IonicContact NH2-OD1 3.05Å; R677-D768 PolarHBondContact NH2-OD1 2.86Å; R677-D768 IonicContact NH2-OD2 3.42Å
678	R	90.2	Very high	92.7	Very high	22 Å²	22	58.6 Å²	58.6	8%	0.083	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-6.9	172	-156.7	178.9	-176.7	88.6	1.8	113	D634 W674 L675 H676 V680 V860 N861 R864	D634-R678 IonicContact OD1-CZ 2.64Å; D634-R678 IonicContact OD1-NE 3.77Å; D634-R678 PolarHBondContact OD1-NE 3.32Å; D634-R678 IonicContact OD1-NH2 3.13Å; D634-R678 IonicContact OD2-CZ 3.7Å; D634-R678 IonicContact OD2-NE 2.64Å; D634-R678 PolarHBondContact OD2-NE 3.26Å; D634-R678 IonicContact OD2-NH2 2.66Å; D634-R678 PolarHBondContact OD2-NH2 3.31Å; W674-R678 WeakPolarHBondContact O-CB 3.42Å; W674-R678 PolarHBondContact O-N 3.02Å; L675-R678 CarbonylContact O-C 3.29Å; L675-R678 PolarHBondContact O-N 3.33Å; H676-R678 VanDerWaalsContact C-N 3.31Å; H676-R678 PolarHBondContact O-N 3.45Å; R678-V680 HydrophobicContact CB-CG2 4.2Å; R678-V680 HydrophobicContact CG-CG2 4.15Å; R678-V860 PolarHBondContact NH2-O 2.82Å; R678-N861 PolarHBondContact NH2-OD1 3.39Å; R678-R864 PolarHBondContact O-NH2 2.82Å
679	K	91.8	Very high	92.8	Very high	152 Å²	152	58.2 Å²	58.2	66%	0.661	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	36.3	-175.9	-53.1	-175.8	176.5	-175.1	0	112.7	R637 L675 H676 R677	R637-K679 PolarHBondContact NH1-O 3.4Å; R637-K679 PolarHBondContact NH2-O 3.06Å; L675-K679 PolarHBondContact O-N 3.25Å; H676-K679 WeakPolarHBondContact O-CA 3.25Å; H676-K679 PolarHBondContact O-N 3.11Å; R677-K679 PolarHBondContact O-N 3.4Å
680	V	91.6	Very high	93	Very high	6 Å²	6	59.8 Å²	59.8	4%	0.036	28%	0.282	C	S	.	.			trans	-106	124.1	177.4	-179.4	0	0	0	0	108.5	I633 M646 L675 R678 A682	I633-V680 HydrophobicContact CG2-CB 4.37Å; I633-V680 HydrophobicContact CG2-CG1 3.75Å; I633-V680 HydrophobicContact CG2-CG2 4.08Å; M646-V680 HydrophobicContact SD-CG1 4.2Å; L675-V680 HydrophobicContact CD2-CB 4.33Å; L675-V680 HydrophobicContact CD2-CG1 4.43Å; L675-V680 PolarHBondContact O-N 3.35Å; R678-V680 HydrophobicContact CB-CG2 4.2Å; R678-V680 HydrophobicContact CG-CG2 4.15Å; V680-A682 HydrophobicContact CG1-CB 3.98Å; V680-A682 PolarHBondContact O-N 3.1Å
681	K	93	Very high	93.1	Very high	147 Å²	147	58.5 Å²	58.5	64%	0.639	29%	0.285	S	S	*	.			trans	-87.4	94.5	171.3	-59.5	-165.4	-163.8	172.8	0	109.4	D642	D642-K681 HydrophobicContact CB-CB 4.34Å; D642-K681 HydrophobicContact CB-CD 3.91Å; D642-K681 HydrophobicContact CB-CG 4.16Å; D642-K681 WeakPolarHBondContact OD1-CB 3.32Å; D642-K681 PolarHBondContact OD1-N 3.48Å
682	A	93.6	Very high	93	Very high	16 Å²	16	62 Å²	62	13%	0.132	30%	0.299	C	S	.	.			trans	-143.5	151	177.3	0	0	0	0	0	110.6	M646 L675 V680	M646-A682 HydrophobicContact CB-CB 4.05Å; M646-A682 HydrophobicContact CE-CB 4.38Å; M646-A682 HydrophobicContact CG-CB 3.82Å; M646-A682 CarbonylContact O-C 3.53Å; M646-A682 WeakPolarHBondContact O-CA 3.19Å; M646-A682 HydrophobicContact SD-CB 3.89Å; L675-A682 HydrophobicContact CD1-CB 4.42Å; V680-A682 HydrophobicContact CG1-CB 3.98Å; V680-A682 PolarHBondContact O-N 3.1Å
683	F	95	Very high	93	Very high	130 Å²	130	60.6 Å²	60.6	57%	0.57	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	152.2	168.5	-61.5	-82.2	0	0	0	109.5	L645 M646 V647 C648	L645-F683 HydrophobicContact CD1-CD2 3.59Å; L645-F683 HydrophobicContact CD1-CE2 3.64Å; M646-F683 PolarHBondContact O-N 3.03Å; V647-F683 HydrophobicContact CG2-CB 4.43Å; C648-F683 PolarHBondContact N-O 3.15Å
684	Y	95.6	Very high	93.1	Very high	12 Å²	12	61.4 Å²	61.4	5%	0.047	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	122.4	175.7	174.5	-116.3	0	0	0	107.7	P626 C648 H650 M664 W667 T668 I671 P686	P626-Y684 HydrophobicContact CG-CD2 3.94Å; P626-Y684 HydrophobicContact CG-CE2 3.83Å; C648-Y684 HydrophobicContact CB-CD2 4.23Å; H650-Y684 HydrophobicContact CB-CE2 3.63Å; H650-Y684 AromaticContact ND1-CZ 3.83Å; H650-Y684 PolarHBondContact ND1-OH 2.89Å; M664-Y684 HydrophobicContact CE-CE1 4.42Å; W667-Y684 AromaticContact CD1-CE1 3.86Å; W667-Y684 AromaticContact NE1-CE1 3.87Å; W667-Y684 AromaticContact NE1-CZ 3.86Å; W667-Y684 PolarHBondContact NE1-OH 3.34Å; W667-Y684 VanDerWaalsContact NE1-OH 3.08Å; T668-Y684 HydrophobicContact CG2-CD1 4.08Å; I671-Y684 HydrophobicContact CB-CD1 4.06Å; I671-Y684 HydrophobicContact CB-CE1 4.27Å; I671-Y684 HydrophobicContact CB-CG 4.33Å; I671-Y684 HydrophobicContact CD1-CD1 4.15Å; I671-Y684 HydrophobicContact CD1-CD2 4.48Å; I671-Y684 HydrophobicContact CD1-CE1 3.52Å; I671-Y684 HydrophobicContact CD1-CE2 3.88Å; I671-Y684 WeakPolarHBondContact CD1-OH 3.41Å; I671-Y684 HydrophobicContact CG1-CE1 4.43Å; I671-Y684 HydrophobicContact CG2-CD1 3.84Å; I671-Y684 HydrophobicContact CG2-CD2 3.84Å; I671-Y684 HydrophobicContact CG2-CE1 4.28Å; I671-Y684 HydrophobicContact CG2-CE2 4.26Å; I671-Y684 HydrophobicContact CG2-CG 3.59Å; Y684-P686 HydrophobicContact CD1-CG 4.08Å; Y684-P686 HydrophobicContact CE1-CB 3.77Å; Y684-P686 HydrophobicContact CE1-CG 3.64Å; Y684-P686 WeakPolarHBondContact O-CD 3.21Å
685	A	95.3	Very high	93.2	Very high	24 Å²	24	61.2 Å²	61.2	20%	0.198	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	88.1	-176.2	0	0	0	0	0	109	V647 C648 H650 L699	V647-A685 HydrophobicContact CG1-CB 3.63Å; C648-A685 PolarHBondContact O-N 3.32Å; H650-A685 PolarHBondContact N-O 2.75Å; A685-L699 HydrophobicContact CB-CD2 3.92Å
686	P	94.5	Very high	93.3	Very high	34 Å²	34	61.1 Å²	61.1	22%	0.221	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	141.7	172.2	29.8	-29.6	0	0	0	111.9	H650 M664 T668 Y684	H650-P686 CarbonylContact O-C 3.41Å; H650-P686 WeakPolarHBondContact O-CA 3.19Å; M664-P686 HydrophobicContact CE-CB 3.14Å; M664-P686 HydrophobicContact CE-CG 3.63Å; M664-P686 HydrophobicContact CG-CB 4.42Å; M664-P686 HydrophobicContact CG-CG 4.12Å; T668-P686 WeakPolarHBondContact OG1-CG 3.37Å; Y684-P686 HydrophobicContact CD1-CG 4.08Å; Y684-P686 HydrophobicContact CE1-CB 3.77Å; Y684-P686 HydrophobicContact CE1-CG 3.64Å; Y684-P686 WeakPolarHBondContact O-CD 3.21Å
687	V	93.7	Very high	93.5	Very high	23 Å²	23	57.3 Å²	57.3	14%	0.139	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	126.6	172.5	175.6	0	0	0	0	108	H650 V651 I652 V689 M698 L699	H650-V687 PolarHBondContact O-N 3.33Å; V651-V687 CarbonylContact C-O 3.58Å; V651-V687 WeakPolarHBondContact CA-O 3.4Å; I652-V687 PolarHBondContact N-O 3.34Å; V687-V689 HydrophobicContact CG1-CG1 3.76Å; V687-V689 HydrophobicContact CG1-CG2 4.44Å; V687-M698 HydrophobicContact CG1-CB 4.4Å; V687-M698 HydrophobicContact CG1-SD 4.01Å; V687-L699 HydrophobicContact CG2-CD2 3.62Å; V687-L699 HydrophobicContact CG2-CG 3.79Å
688	V	93	Very high	93.8	Very high	24 Å²	24	54.4 Å²	54.4	15%	0.145	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	118.7	178.2	-169.6	0	0	0	0	108	I652 L654 P657 L660	I652-V688 HydrophobicContact CB-CG2 4.37Å; I652-V688 HydrophobicContact CD1-CG2 4.27Å; I652-V688 WeakPolarHBondContact O-CA 3.43Å; L654-V688 HydrophobicContact CB-CG1 4.45Å; L654-V688 HydrophobicContact CD1-CG1 3.92Å; P657-V688 HydrophobicContact CB-CB 4.45Å; P657-V688 HydrophobicContact CB-CG1 3.9Å; L660-V688 HydrophobicContact CB-CG1 4.35Å; L660-V688 HydrophobicContact CD2-CG1 4.44Å; L660-V688 HydrophobicContact CD2-CG2 4Å; L660-V688 HydrophobicContact CG-CG2 4.46Å
689	V	94	Very high	94.1	Very high	15 Å²	15	53.6 Å²	53.6	9%	0.091	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	162.6	-173.8	-75.9	0	0	0	0	110.2	V651 I652 T653 L654 V687 N691 M698	V651-V689 HydrophobicContact CG1-CG2 3.59Å; I652-V689 PolarHBondContact O-N 2.97Å; T653-V689 VanDerWaalsContact CA-O 3.23Å; T653-V689 WeakPolarHBondContact CA-O 3.45Å; L654-V689 PolarHBondContact N-O 3.43Å; V687-V689 HydrophobicContact CG1-CG1 3.76Å; V687-V689 HydrophobicContact CG1-CG2 4.44Å; V689-N691 WeakPolarHBondContact CG2-O 3.44Å; V689-M698 HydrophobicContact CG1-SD 3.96Å
690	E	92.1	Very high	94.2	Very high	140 Å²	140	47.2 Å²	47.2	65%	0.654	24%	0.237	S	C	*	.	S	Bend	trans	-77.5	-46.7	171.6	-66.3	174.4	-167	0	0	111	L654 P657	L654-E690 WeakPolarHBondContact O-CA 3.37Å; L654-E690 WeakPolarHBondContact O-CG 3.35Å; P657-E690 HydrophobicContact CG-CG 3.89Å
691	N	92.2	Very high	94.3	Very high	93 Å²	93	53.3 Å²	53.3	50%	0.497	27%	0.265	S	S	.	.	S	Bend	trans	-97.4	122.1	-179.6	-171.4	-48.2	0	0	0	110.8	V689 F693 S694 G695	V689-N691 WeakPolarHBondContact CG2-O 3.44Å; N691-F693 VanDerWaalsContact C-N 3.29Å; N691-F693 PolarHBondContact O-N 3.1Å; N691-F693 WeakPolarHBondContact OD1-CB 2.96Å; N691-F693 PolarHBondContact OD1-N 3.08Å; N691-S694 PolarHBondContact O-N 2.87Å; N691-G695 PolarHBondContact O-N 2.99Å
692	Y	92.9	Very high	94.3	Very high	74 Å²	74	52.1 Å²	52.1	29%	0.29	27%	0.265	S	S	.	.	H	α-helix	trans	-53.2	-44.1	178.4	174.4	-92.9	0	0	0	113.1	V651 T653 G695 I696 N731	V651-Y692 HydrophobicContact CB-CD2 4.02Å; V651-Y692 HydrophobicContact CB-CE2 4.05Å; V651-Y692 HydrophobicContact CG1-CD2 3.87Å; V651-Y692 HydrophobicContact CG1-CE2 4.4Å; V651-Y692 HydrophobicContact CG1-CG 4.49Å; V651-Y692 HydrophobicContact CG2-CE2 4.48Å; T653-Y692 HydrophobicContact CG2-CD2 4.49Å; Y692-G695 PolarHBondContact O-N 3.41Å; Y692-G695 VanDerWaalsContact O-N 3.16Å; Y692-I696 HydrophobicContact CD1-CG1 4.2Å; Y692-I696 HydrophobicContact CE1-CD1 4.15Å; Y692-I696 HydrophobicContact CE1-CG1 3.65Å; Y692-I696 PolarHBondContact O-N 3.3Å; Y692-N731 HydrophobicContact CD1-CB 3.77Å; Y692-N731 HydrophobicContact CE1-CB 4.1Å
693	F	93.4	Very high	94.3	Very high	35 Å²	35	52 Å²	52	15%	0.154	26%	0.264	C	S	.	.	H	α-helix	trans	-68.9	-38.5	-174.4	-169	-105.6	0	0	0	111.9	N691 G695 I696 E697 N734 E738	N691-F693 VanDerWaalsContact C-N 3.29Å; N691-F693 PolarHBondContact O-N 3.1Å; N691-F693 WeakPolarHBondContact OD1-CB 2.96Å; N691-F693 PolarHBondContact OD1-N 3.08Å; F693-G695 PolarHBondContact O-N 3.49Å; F693-I696 WeakPolarHBondContact O-CA 3.31Å; F693-I696 WeakPolarHBondContact O-CB 3.34Å; F693-I696 PolarHBondContact O-N 3.31Å; F693-E697 HydrophobicContact CD1-CG 4.28Å; F693-E697 HydrophobicContact CE1-CG 4.01Å; F693-E697 WeakPolarHBondContact CE1-OE1 3.46Å; F693-E697 PolarHBondContact O-N 2.91Å; F693-N734 HydrophobicContact CD2-CB 3.89Å; F693-N734 VanDerWaalsContact CE2-C 3.48Å; F693-N734 HydrophobicContact CE2-CB 3.4Å; F693-N734 HydrophobicContact CZ-CB 3.89Å; F693-E738 HydrophobicContact CE2-CB 4.2Å; F693-E738 HydrophobicContact CZ-CB 3.93Å; F693-E738 HydrophobicContact CZ-CG 3.96Å
694	S	94.3	Very high	94	Very high	48 Å²	48	47.1 Å²	47.1	34%	0.336	25%	0.25	S	C	.	.	H	α-helix	trans	-58.3	-38.7	171.7	-179.5	0	0	0	0	111.7	N691 I696 E697 M698	N691-S694 PolarHBondContact O-N 2.87Å; S694-I696 VanDerWaalsContact C-N 3.29Å; S694-I696 PolarHBondContact O-N 3.24Å; S694-E697 PolarHBondContact O-N 3.18Å; S694-M698 WeakPolarHBondContact O-CG 3.32Å; S694-M698 PolarHBondContact O-N 3.34Å
695	G	95.2	Very high	93.6	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-63.9	-32.2	174	0	0	0	0	0	113.8	N691 Y692 F693 L699	N691-G695 PolarHBondContact O-N 2.99Å; Y692-G695 PolarHBondContact O-N 3.41Å; Y692-G695 VanDerWaalsContact O-N 3.16Å; F693-G695 PolarHBondContact O-N 3.49Å; G695-L699 WeakPolarHBondContact O-CG 3.49Å; G695-L699 PolarHBondContact O-N 3.18Å
696	I	96.5	Very high	93.2	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-68.7	-48.7	173.2	-65.5	-65.5	0	0	0	110.3	F622 V651 Y692 F693 S694 M698 L699 L700 T735	F622-I696 HydrophobicContact CD1-CD1 3.75Å; F622-I696 HydrophobicContact CE1-CD1 3.55Å; F622-I696 HydrophobicContact CE1-CG2 4.42Å; F622-I696 HydrophobicContact CZ-CD1 4.16Å; F622-I696 HydrophobicContact CZ-CG2 4.22Å; V651-I696 HydrophobicContact CG2-CD1 3.88Å; V651-I696 HydrophobicContact CG2-CG1 4.31Å; Y692-I696 HydrophobicContact CD1-CG1 4.2Å; Y692-I696 HydrophobicContact CE1-CD1 4.15Å; Y692-I696 HydrophobicContact CE1-CG1 3.65Å; Y692-I696 PolarHBondContact O-N 3.3Å; F693-I696 WeakPolarHBondContact O-CA 3.31Å; F693-I696 WeakPolarHBondContact O-CB 3.34Å; F693-I696 PolarHBondContact O-N 3.31Å; S694-I696 VanDerWaalsContact C-N 3.29Å; S694-I696 PolarHBondContact O-N 3.24Å; I696-M698 VanDerWaalsContact C-N 3.27Å; I696-M698 PolarHBondContact O-N 3.5Å; I696-L699 PolarHBondContact O-N 3.47Å; I696-L700 HydrophobicContact CG2-CD1 4.11Å; I696-L700 HydrophobicContact CG2-CG 4.24Å; I696-L700 WeakPolarHBondContact O-CG 3.43Å; I696-L700 PolarHBondContact O-N 3.28Å; I696-T735 HydrophobicContact CD1-CG2 4.36Å; I696-T735 HydrophobicContact CG2-CG2 3.98Å
697	E	95.7	Very high	92.9	Very high	68 Å²	68	56.2 Å²	56.2	32%	0.318	29%	0.294	S	S	.	.	H	α-helix	trans	-53.8	-46.2	176.9	-66.4	172.6	147.6	0	0	111	F693 S694 L699 L700 Q701 E738	F693-E697 HydrophobicContact CD1-CG 4.28Å; F693-E697 HydrophobicContact CE1-CG 4.01Å; F693-E697 WeakPolarHBondContact CE1-OE1 3.46Å; F693-E697 PolarHBondContact O-N 2.91Å; S694-E697 PolarHBondContact O-N 3.18Å; E697-L699 PolarHBondContact O-N 2.98Å; E697-L700 PolarHBondContact O-N 3.28Å; E697-Q701 WeakPolarHBondContact O-CG 3.33Å; E697-Q701 PolarHBondContact O-N 3.01Å; E697-E738 HydrophobicContact CG-CG 4.37Å
698	M	95.8	Very high	92.8	Very high	79 Å²	79	58.2 Å²	58.2	39%	0.389	30%	0.304	S	S	.	.	H	α-helix	trans	-60.7	-44.7	175.3	-68.8	-177.2	79.1	0	0	112.6	V687 V689 S694 I696 L700 Q701 L702	V687-M698 HydrophobicContact CG1-CB 4.4Å; V687-M698 HydrophobicContact CG1-SD 4.01Å; V689-M698 HydrophobicContact CG1-SD 3.96Å; S694-M698 WeakPolarHBondContact O-CG 3.32Å; S694-M698 PolarHBondContact O-N 3.34Å; I696-M698 VanDerWaalsContact C-N 3.27Å; I696-M698 PolarHBondContact O-N 3.5Å; M698-L700 VanDerWaalsContact C-N 3.31Å; M698-L700 PolarHBondContact O-N 3.08Å; M698-Q701 PolarHBondContact O-N 3.28Å; M698-L702 HydrophobicContact CB-CD1 4.43Å; M698-L702 HydrophobicContact CE-CD1 4.17Å; M698-L702 VanDerWaalsContact O-CB 3.25Å; M698-L702 WeakPolarHBondContact O-CB 3.23Å; M698-L702 WeakPolarHBondContact O-CG 3.4Å; M698-L702 PolarHBondContact O-N 2.89Å
699	L	96.1	Very high	92.8	Very high	4 Å²	4	59.9 Å²	59.9	2%	0.021	31%	0.314	C	S	.	.	H	α-helix	trans	-62.5	-39.4	177.5	-79.3	173.9	0	0	0	111.9	L620 F622 V651 A685 V687 G695 I696 E697 S703	L620-L699 HydrophobicContact CD2-CB 4.42Å; F622-L699 HydrophobicContact CD1-CD1 4.45Å; F622-L699 HydrophobicContact CE1-CD1 4.34Å; V651-L699 HydrophobicContact CG2-CD1 3.58Å; A685-L699 HydrophobicContact CB-CD2 3.92Å; V687-L699 HydrophobicContact CG2-CD2 3.62Å; V687-L699 HydrophobicContact CG2-CG 3.79Å; G695-L699 WeakPolarHBondContact O-CG 3.49Å; G695-L699 PolarHBondContact O-N 3.18Å; I696-L699 PolarHBondContact O-N 3.47Å; E697-L699 PolarHBondContact O-N 2.98Å; L699-S703 WeakPolarHBondContact O-CB 3.35Å; L699-S703 PolarHBondContact O-N 2.98Å; L699-S703 PolarHBondContact O-OG 3.46Å
700	L	95.1	Very high	92.9	Very high	19 Å²	19	60 Å²	60	10%	0.099	32%	0.316	C	S	.	.	H	α-helix	trans	-69.4	-36.4	179.9	-63.2	-174.4	0	0	0	112.2	L620 F622 I696 E697 M698 E738 M744	L620-L700 HydrophobicContact CD2-CD2 3.57Å; F622-L700 HydrophobicContact CE1-CD2 4.3Å; F622-L700 HydrophobicContact CZ-CD2 3.64Å; I696-L700 HydrophobicContact CG2-CD1 4.11Å; I696-L700 HydrophobicContact CG2-CG 4.24Å; I696-L700 WeakPolarHBondContact O-CG 3.43Å; I696-L700 PolarHBondContact O-N 3.28Å; E697-L700 PolarHBondContact O-N 3.28Å; M698-L700 VanDerWaalsContact C-N 3.31Å; M698-L700 PolarHBondContact O-N 3.08Å; L700-E738 HydrophobicContact CD1-CB 4.05Å; L700-E738 HydrophobicContact CD1-CG 3.85Å; L700-M744 HydrophobicContact CB-CE 4.09Å; L700-M744 HydrophobicContact CD1-CE 3.74Å; L700-M744 HydrophobicContact CD2-CE 3.15Å; L700-M744 HydrophobicContact CD2-SD 3.98Å; L700-M744 HydrophobicContact CG-CE 3.8Å
701	Q	92.2	Very high	93	Very high	133 Å²	133	54.8 Å²	54.8	62%	0.621	29%	0.292	S	S	*	.	H	α-helix	trans	-84	-32.8	-177.8	-68.3	177.4	13.9	0	0	113.7	E697 M698	E697-Q701 WeakPolarHBondContact O-CG 3.33Å; E697-Q701 PolarHBondContact O-N 3.01Å; M698-Q701 PolarHBondContact O-N 3.28Å
702	L	93.8	Very high	93.2	Very high	122 Å²	122	50.5 Å²	50.5	64%	0.639	27%	0.269	S	S	*	.	H	α-helix	trans	-108	-7.1	-169.9	-56.8	175.8	0	0	0	114.2	M698 G704	M698-L702 HydrophobicContact CB-CD1 4.43Å; M698-L702 HydrophobicContact CE-CD1 4.17Å; M698-L702 VanDerWaalsContact O-CB 3.25Å; M698-L702 WeakPolarHBondContact O-CB 3.23Å; M698-L702 WeakPolarHBondContact O-CG 3.4Å; M698-L702 PolarHBondContact O-N 2.89Å; L702-G704 PolarHBondContact O-N 3.17Å
703	S	93.3	Very high	93.4	Very high	14 Å²	14	47.1 Å²	47.1	10%	0.098	26%	0.256	C	S	.	.	S	Bend	trans	-75.1	109.1	179.5	-68	0	0	0	0	111.6	L699 P710	L699-S703 WeakPolarHBondContact O-CB 3.35Å; L699-S703 PolarHBondContact O-N 2.98Å; L699-S703 PolarHBondContact O-OG 3.46Å; S703-P710 WeakPolarHBondContact O-CD 3.44Å
704	G	88.8	Confident	93.7	Very high	27 Å²	27	45.5 Å²	45.5	28%	0.278	25%	0.249	S	C	.	.	S	Bend	trans	112.6	177.6	171.9	0	0	0	0	0	113.5	L702 L708	L702-G704 PolarHBondContact O-N 3.17Å; G704-L708 CarbonylContact C-O 3.47Å; G704-L708 WeakPolarHBondContact CA-O 3.49Å
705	F	86.8	Confident	93.7	Very high	166 Å²	166	43.6 Å²	43.6	73%	0.728	24%	0.235	S	C	*	.	B	Isolated β-bridge	trans	-143.2	126	179.4	-73	-82.2	0	0	0	110.3	M602 K707 L708	M602-F705 HydrophobicContact CE-CB 3.98Å; F705-K707 PolarHBondContact O-N 3.36Å; F705-L708 PolarHBondContact N-O 2.88Å; F705-L708 VanDerWaalsContact N-O 3.08Å; F705-L708 PolarHBondContact O-N 3.03Å; F705-L708 VanDerWaalsContact O-N 3.08Å
706	G	86.9	Confident	93.7	Very high	44 Å²	44	44 Å²	44	45%	0.454	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	-126.6	-178.1	0	0	0	0	0	112.3	L708 T709	G706-L708 VanDerWaalsContact C-N 3.33Å; G706-T709 VanDerWaalsContact O-CG2 3.26Å; G706-T709 WeakPolarHBondContact O-CG2 3.24Å; G706-T709 PolarHBondContact O-OG1 3.26Å
707	K	88.9	Confident	93.6	Very high	52 Å²	52	44.6 Å²	44.6	23%	0.226	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-4.5	175.7	-50.9	-158.9	179.7	-156.1	0	114.3	L605 L606 T608 E610 Q618 F705 T709	L605-K707 HydrophobicContact CD2-CB 4Å; L605-K707 HydrophobicContact CG-CB 3.95Å; L605-K707 HydrophobicContact CG-CG 4.35Å; L605-K707 WeakPolarHBondContact O-CD 3.34Å; L605-K707 WeakPolarHBondContact O-CE 3.49Å; L606-K707 WeakPolarHBondContact O-CE 3.48Å; T608-K707 WeakPolarHBondContact O-CE 3.35Å; T608-K707 PolarHBondContact O-NZ 3.36Å; E610-K707 HydrophobicContact CG-CD 4.48Å; Q618-K707 PolarHBondContact NE2-O 2.95Å; Q618-K707 PolarHBondContact OE1-O 3.42Å; F705-K707 PolarHBondContact O-N 3.36Å; K707-T709 PolarHBondContact O-N 3.5Å; K707-T709 VanDerWaalsContact O-N 3.15Å
708	L	90.8	Very high	93.5	Very high	65 Å²	65	42.5 Å²	42.5	34%	0.34	23%	0.232	S	C	.	.	B	Isolated β-bridge	trans	-85.9	63.3	168.5	-66.3	-168.7	0	0	0	109.5	M602 L605 L645 G704 F705 G706	M602-L708 HydrophobicContact CE-CB 4.18Å; M602-L708 HydrophobicContact CE-CD1 3.56Å; M602-L708 HydrophobicContact CE-CG 4.09Å; M602-L708 HydrophobicContact SD-CB 4.46Å; M602-L708 HydrophobicContact SD-CD1 3.32Å; M602-L708 WeakPolarHBondContact SD-CD1 3.44Å; M602-L708 HydrophobicContact SD-CG 3.77Å; L605-L708 HydrophobicContact CD2-CD2 3.93Å; L605-L708 HydrophobicContact CD2-CG 3.89Å; L645-L708 HydrophobicContact CD2-CB 4.48Å; L645-L708 WeakPolarHBondContact CD2-O 3.2Å; G704-L708 CarbonylContact C-O 3.47Å; G704-L708 WeakPolarHBondContact CA-O 3.49Å; F705-L708 PolarHBondContact N-O 2.88Å; F705-L708 VanDerWaalsContact N-O 3.08Å; F705-L708 PolarHBondContact O-N 3.03Å; F705-L708 VanDerWaalsContact O-N 3.08Å; G706-L708 VanDerWaalsContact C-N 3.33Å
709	T	93.3	Very high	93.2	Very high	59 Å²	59	42 Å²	42	36%	0.362	24%	0.236	S	C	.	.			trans	-122.8	140.7	178.4	45.3	0	0	0	0	110.1	Q618 G706 K707	Q618-T709 WeakPolarHBondContact CB-O 3.37Å; Q618-T709 PolarHBondContact OE1-O 2.92Å; G706-T709 VanDerWaalsContact O-CG2 3.26Å; G706-T709 WeakPolarHBondContact O-CG2 3.24Å; G706-T709 PolarHBondContact O-OG1 3.26Å; K707-T709 PolarHBondContact O-N 3.5Å; K707-T709 VanDerWaalsContact O-N 3.15Å
710	P	95.9	Very high	92.9	Very high	18 Å²	18	45.1 Å²	45.1	12%	0.117	25%	0.252	C	S	.	.			trans	-59	140	177.3	-24.9	35.9	0	0	0	113.2	Q618 L620 L645 V647 S703	Q618-P710 CarbonylContact O-C 3.49Å; Q618-P710 VanDerWaalsContact O-CA 3.29Å; Q618-P710 WeakPolarHBondContact O-CA 3.36Å; L620-P710 HydrophobicContact CB-CB 3.57Å; L620-P710 HydrophobicContact CB-CG 3.78Å; L645-P710 HydrophobicContact CD2-CG 4.33Å; V647-P710 HydrophobicContact CG2-CG 4.23Å; S703-P710 WeakPolarHBondContact O-CD 3.44Å
711	N	94.8	Very high	92.8	Very high	29 Å²	29	44.2 Å²	44.2	16%	0.155	25%	0.248	C	C	.	.			trans	-119.2	-6.7	173.4	61.5	10.1	0	0	0	112.9	Y615 R616 Q618 A745	Y615-N711 VanDerWaalsContact CE2-ND2 3.26Å; Y615-N711 WeakPolarHBondContact CE2-ND2 3.35Å; Y615-N711 PolarHBondContact OH-ND2 2.85Å; R616-N711 PolarHBondContact O-ND2 3.18Å; Q618-N711 WeakPolarHBondContact CA-OD1 3.5Å; Q618-N711 PolarHBondContact N-OD1 3.38Å; Q618-N711 PolarHBondContact O-N 3.04Å; Q618-N711 PolarHBondContact O-OD1 3.3Å; N711-A745 PolarHBondContact O-N 3.17Å
712	I	96.9	Very high	92.7	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.021	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	121.2	176.1	-60.4	158.7	0	0	0	108.7	P617 Q618 V619 L620 A745 C747 L883	P617-I712 HydrophobicContact CB-CD1 3.58Å; Q618-I712 PolarHBondContact O-N 2.84Å; V619-I712 CarbonylContact C-O 3.5Å; V619-I712 WeakPolarHBondContact CA-O 3.47Å; V619-I712 HydrophobicContact CG1-CB 4.48Å; V619-I712 HydrophobicContact CG1-CG2 4.32Å; V619-I712 HydrophobicContact CG2-CB 4.37Å; V619-I712 HydrophobicContact CG2-CD1 4.38Å; L620-I712 PolarHBondContact N-O 2.81Å; I712-A745 CarbonylContact C-O 3.39Å; I712-A745 WeakPolarHBondContact CA-O 3.35Å; I712-A745 HydrophobicContact CB-CB 4.41Å; I712-A745 HydrophobicContact CG1-CB 3.9Å; I712-A745 HydrophobicContact CG2-CB 4.45Å; I712-C747 HydrophobicContact CG2-CB 4.38Å; I712-L883 HydrophobicContact CD1-CD1 4.03Å; I712-L883 HydrophobicContact CG1-CD2 4.35Å
713	A	97.6	Very high	92.5	Very high	2 Å²	2	42.8 Å²	42.8	2%	0.017	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	128.2	164.8	0	0	0	0	0	110	L620 F622 C739 A745 V746 C747	L620-A713 CarbonylContact O-C 3.5Å; L620-A713 WeakPolarHBondContact O-CA 3.32Å; F622-A713 HydrophobicContact CE2-CB 3.89Å; A713-C739 HydrophobicContact CB-CB 4.03Å; A713-C739 WeakPolarHBondContact CB-SG 3.47Å; A713-A745 PolarHBondContact N-O 2.88Å; A713-V746 HydrophobicContact CB-CG2 4.49Å; A713-V746 CarbonylContact O-C 3.42Å; A713-V746 WeakPolarHBondContact O-CA 3.35Å; A713-C747 PolarHBondContact O-N 3.08Å
714	F	97.8	Very high	92.4	Very high	1 Å²	1	43 Å²	43	0%	0.004	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	124	-176.9	-158.3	-69.4	0	0	0	110.5	V619 L620 V621 F622 L632 F635 V636 I639 C747 L749 L1043	V619-F714 HydrophobicContact CG1-CB 3.45Å; V619-F714 VanDerWaalsContact CG1-CB 3.45Å; V619-F714 HydrophobicContact CG1-CD2 4.26Å; V619-F714 HydrophobicContact CG1-CG 4.22Å; L620-F714 PolarHBondContact O-N 3.3Å; V621-F714 CarbonylContact C-O 3.6Å; V621-F714 WeakPolarHBondContact CA-O 3.34Å; V621-F714 HydrophobicContact CG1-CB 4.41Å; V621-F714 HydrophobicContact CG1-CD1 4.48Å; V621-F714 HydrophobicContact CG2-CB 4.38Å; F622-F714 PolarHBondContact N-O 3.26Å; L632-F714 HydrophobicContact CD2-CD1 4.27Å; L632-F714 HydrophobicContact CD2-CE1 3.99Å; F635-F714 HydrophobicContact CD1-CE1 4.26Å; F635-F714 HydrophobicContact CD1-CE2 4.11Å; F635-F714 AromaticContact CD1-CZ 3.45Å; F635-F714 HydrophobicContact CD1-CZ 3.45Å; F635-F714 VanDerWaalsContact CD1-CZ 3.45Å; F635-F714 HydrophobicContact CE1-CE2 4.11Å; F635-F714 AromaticContact CE1-CZ 3.65Å; F635-F714 HydrophobicContact CE1-CZ 3.65Å; V636-F714 HydrophobicContact CG2-CB 4.18Å; V636-F714 HydrophobicContact CG2-CD1 3.59Å; V636-F714 HydrophobicContact CG2-CD2 3.67Å; V636-F714 HydrophobicContact CG2-CE1 3.82Å; V636-F714 HydrophobicContact CG2-CE2 3.89Å; V636-F714 HydrophobicContact CG2-CG 3.52Å; V636-F714 HydrophobicContact CG2-CZ 3.98Å; I639-F714 HydrophobicContact CD1-CE2 3.98Å; F714-C747 WeakPolarHBondContact CA-O 3.38Å; F714-C747 HydrophobicContact CB-CB 4.46Å; F714-C747 HydrophobicContact CD2-CB 3.31Å; F714-C747 HydrophobicContact CE2-CB 3.56Å; F714-C747 HydrophobicContact CG-CB 3.94Å; F714-C747 HydrophobicContact CZ-CB 4.35Å; F714-L749 HydrophobicContact CE1-CB 3.75Å; F714-L749 HydrophobicContact CZ-CB 4.06Å; F714-L1043 HydrophobicContact CE1-CD1 4.45Å; F714-L1043 HydrophobicContact CE2-CD1 3.73Å; F714-L1043 HydrophobicContact CZ-CD1 3.46Å; F714-L1043 VanDerWaalsContact CZ-CD1 3.46Å
715	M	95.9	Very high	92.4	Very high	8 Å²	8	44 Å²	44	4%	0.039	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	161.1	-177.6	67	-165.9	-41.3	0	0	112.6	F622 Y732 T735 I736 C747 I748 L749	F622-M715 HydrophobicContact CB-CB 4.32Å; F622-M715 HydrophobicContact CD2-CB 4.2Å; M715-Y732 HydrophobicContact CE-CD2 3.64Å; M715-Y732 HydrophobicContact CE-CE1 4.44Å; M715-Y732 HydrophobicContact CE-CE2 3.31Å; M715-Y732 HydrophobicContact CE-CG 4.35Å; M715-Y732 HydrophobicContact SD-CE2 4.23Å; M715-T735 HydrophobicContact CE-CG2 4.08Å; M715-I736 HydrophobicContact SD-CD1 4.35Å; M715-I736 HydrophobicContact SD-CG1 3.78Å; M715-C747 PolarHBondContact N-O 3.08Å; M715-I748 HydrophobicContact CG-CB 4.41Å; M715-I748 HydrophobicContact CG-CG1 3.79Å; M715-I748 HydrophobicContact CG-CG2 4.44Å; M715-I748 WeakPolarHBondContact O-CA 3.4Å; M715-I748 HydrophobicContact SD-CD1 4.33Å; M715-I748 HydrophobicContact SD-CG1 4.15Å; M715-L749 PolarHBondContact O-N 2.99Å
716	G	94.4	Very high	92.5	Very high	10 Å²	10	37.7 Å²	37.7	10%	0.103	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	146.1	170.6	0	0	0	0	0	111	K718 Y732	G716-K718 PolarHBondContact O-N 3.29Å; G716-Y732 WeakPolarHBondContact O-CE2 3.48Å; G716-Y732 PolarHBondContact O-OH 2.93Å
717	Y	95.4	Very high	92.5	Very high	12 Å²	12	41.2 Å²	41.2	5%	0.047	23%	0.229	C	C	.	.			trans	-57.7	132.2	170.5	178.2	-100.8	0	0	0	111	S719 W721 L749 R750 L1029 L1032 E1033	Y717-S719 PolarHBondContact O-N 3.41Å; Y717-W721 AromaticContact CZ-CD1 3.98Å; Y717-W721 VanDerWaalsContact OH-CD1 3.24Å; Y717-W721 PolarHBondContact OH-NE1 2.96Å; Y717-L749 PolarHBondContact N-O 3.38Å; Y717-R750 HydrophobicContact CD1-CG 3.8Å; Y717-R750 HydrophobicContact CG-CB 4.03Å; Y717-R750 HydrophobicContact CG-CG 3.8Å; Y717-L1029 HydrophobicContact CE2-CD2 4.45Å; Y717-L1032 HydrophobicContact CD2-CB 4.47Å; Y717-L1032 HydrophobicContact CE2-CB 3.79Å; Y717-L1032 HydrophobicContact CE2-CD1 4.44Å; Y717-E1033 PolarHBondContact OH-OE2 3.3Å
718	K	92.8	Very high	92.6	Very high	25 Å²	25	42.6 Å²	42.6	11%	0.109	24%	0.239	C	C	.	.			trans	-73.5	90.3	177.3	-171.5	167.8	171.9	53.7	0	110.9	G716 D720 W721 C724 Y732	G716-K718 PolarHBondContact O-N 3.29Å; K718-D720 VanDerWaalsContact C-N 3.3Å; K718-D720 WeakPolarHBondContact CG-OD1 2.96Å; K718-D720 VanDerWaalsContact NZ-CG 3.26Å; K718-D720 IonicContact NZ-OD1 2.7Å; K718-D720 PolarHBondContact NZ-OD1 3.44Å; K718-D720 IonicContact NZ-OD2 3.25Å; K718-D720 PolarHBondContact NZ-OD2 2.84Å; K718-D720 PolarHBondContact O-N 3.32Å; K718-W721 HydrophobicContact CD-CB 4.49Å; K718-W721 HydrophobicContact CG-CB 4.21Å; K718-W721 PolarHBondContact O-N 2.98Å; K718-C724 WeakPolarHBondContact CE-SG 3.05Å; K718-Y732 HydrophobicContact CB-CD1 4.41Å; K718-Y732 HydrophobicContact CB-CD2 3.83Å; K718-Y732 HydrophobicContact CB-CE1 4.34Å; K718-Y732 HydrophobicContact CB-CE2 3.72Å; K718-Y732 HydrophobicContact CB-CG 4.18Å; K718-Y732 HydrophobicContact CD-CD2 4.08Å; K718-Y732 HydrophobicContact CD-CG 4.01Å; K718-Y732 HydrophobicContact CG-CD2 4.45Å
719	S	89.8	Confident	92.5	Very high	68 Å²	68	39.5 Å²	39.5	48%	0.476	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-28	-176.3	-60.9	0	0	0	0	114.5	Y717	Y717-S719 PolarHBondContact O-N 3.41Å
720	D	90.5	Very high	92.3	Very high	69 Å²	69	39.7 Å²	39.7	37%	0.369	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	13.2	-175.6	67.1	-38.9	0	0	0	113.3	K718 R722 T723 C724	K718-D720 VanDerWaalsContact C-N 3.3Å; K718-D720 WeakPolarHBondContact CG-OD1 2.96Å; K718-D720 VanDerWaalsContact NZ-CG 3.26Å; K718-D720 IonicContact NZ-OD1 2.7Å; K718-D720 PolarHBondContact NZ-OD1 3.44Å; K718-D720 IonicContact NZ-OD2 3.25Å; K718-D720 PolarHBondContact NZ-OD2 2.84Å; K718-D720 PolarHBondContact O-N 3.32Å; D720-R722 PolarHBondContact O-N 3.12Å; D720-T723 PolarHBondContact O-N 3.16Å; D720-T723 PolarHBondContact O-OG1 3.48Å; D720-C724 WeakPolarHBondContact O-CB 3.26Å; D720-C724 PolarHBondContact O-N 3.39Å; D720-C724 WeakPolarHBondContact OD2-CB 3.37Å
721	W	92.3	Very high	92.1	Very high	1 Å²	1	40.3 Å²	40.3	0%	0.004	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-20.4	-174.2	70.8	-92.3	0	0	0	115.2	Y717 K718 L729 L957 F961 Y1026 L1029 E1033	Y717-W721 AromaticContact CZ-CD1 3.98Å; Y717-W721 VanDerWaalsContact OH-CD1 3.24Å; Y717-W721 PolarHBondContact OH-NE1 2.96Å; K718-W721 HydrophobicContact CD-CB 4.49Å; K718-W721 HydrophobicContact CG-CB 4.21Å; K718-W721 PolarHBondContact O-N 2.98Å; W721-L729 HydrophobicContact CB-CD1 3.76Å; W721-L957 HydrophobicContact CH2-CD1 4.01Å; W721-L957 HydrophobicContact CH2-CG 4.34Å; W721-L957 HydrophobicContact CZ2-CD1 3.95Å; W721-F961 HydrophobicContact CH2-CD2 4.48Å; W721-F961 AromaticContact CH2-CE2 3.91Å; W721-F961 HydrophobicContact CH2-CE2 3.91Å; W721-F961 HydrophobicContact CZ3-CD2 4.07Å; W721-F961 AromaticContact CZ3-CE2 3.57Å; W721-F961 HydrophobicContact CZ3-CE2 3.57Å; W721-F961 AromaticContact CZ3-CZ 3.99Å; W721-F961 HydrophobicContact CZ3-CZ 3.99Å; W721-Y1026 AromaticContact CE3-CD1 3.84Å; W721-Y1026 HydrophobicContact CE3-CD1 3.84Å; W721-Y1026 HydrophobicContact CE3-CE1 4.31Å; W721-Y1026 AromaticContact CZ3-CD1 3.81Å; W721-Y1026 HydrophobicContact CZ3-CD1 3.81Å; W721-L1029 HydrophobicContact CB-CD1 3.94Å; W721-L1029 HydrophobicContact CD2-CB 3.96Å; W721-L1029 HydrophobicContact CE3-CB 4.05Å; W721-L1029 HydrophobicContact CG-CB 4.21Å; W721-L1029 HydrophobicContact CG-CD1 4.5Å; W721-E1033 HydrophobicContact CZ2-CB 3.83Å; W721-E1033 HydrophobicContact CZ2-CG 3.97Å
722	R	90.3	Very high	92	Very high	102 Å²	102	39.9 Å²	39.9	39%	0.385	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-19.4	177.8	-56.9	-171.6	-164.1	-176.3	9.1	113.7	D720 F961 E1033	D720-R722 PolarHBondContact O-N 3.12Å; R722-F961 HydrophobicContact CB-CZ 4.03Å; R722-F961 HydrophobicContact CG-CE2 4.48Å; R722-F961 HydrophobicContact CG-CZ 4.16Å; R722-E1033 IonicContact CZ-OE1 2.95Å; R722-E1033 IonicContact NH2-OE1 2.85Å; R722-E1033 PolarHBondContact NH2-OE1 3.02Å
723	T	89.8	Confident	91.8	Very high	122 Å²	122	40.2 Å²	40.2	75%	0.748	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-122	-12.1	-171	53.7	0	0	0	0	113.2	D720	D720-T723 PolarHBondContact O-N 3.16Å; D720-T723 PolarHBondContact O-OG1 3.48Å
724	C	90	Very high	91.5	Very high	20 Å²	20	43.2 Å²	43.2	14%	0.135	23%	0.234	C	C	.	.	S	Bend	trans	-73.7	167.7	179.9	69.2	0	0	0	0	112.4	K718 D720 D728	K718-C724 WeakPolarHBondContact CE-SG 3.05Å; D720-C724 WeakPolarHBondContact O-CB 3.26Å; D720-C724 PolarHBondContact O-N 3.39Å; D720-C724 WeakPolarHBondContact OD2-CB 3.37Å; C724-D728 HydrophobicContact CB-CB 4.38Å
725	A	90.2	Very high	91.3	Very high	48 Å²	48	43.2 Å²	43.2	40%	0.397	23%	0.234	S	C	.	.			trans	-61.3	151.7	168.5	0	0	0	0	0	111	E727 D728 L729	A725-E727 PolarHBondContact O-N 3.23Å; A725-D728 PolarHBondContact O-N 2.75Å; A725-L729 PolarHBondContact O-N 2.73Å
726	V	87.6	Confident	91.2	Very high	33 Å²	33	42.8 Å²	42.8	20%	0.2	23%	0.232	C	C	.	.	H	α-helix	trans	-64.3	-33	179.9	170.9	0	0	0	0	110.8	L729 K730 V977	V726-L729 VanDerWaalsContact O-CB 3.3Å; V726-L729 WeakPolarHBondContact O-CB 3.38Å; V726-L729 PolarHBondContact O-N 2.8Å; V726-K730 PolarHBondContact O-N 2.89Å; V726-V977 HydrophobicContact CG1-CB 4.34Å; V726-V977 HydrophobicContact CG1-CG1 3.64Å; V726-V977 HydrophobicContact CG1-CG2 3.78Å
727	E	87.3	Confident	91.1	Very high	118 Å²	118	43.2 Å²	43.2	55%	0.551	23%	0.232	S	C	*	.	H	α-helix	trans	-63.2	-43.2	178.3	-64.8	66.5	-139.9	0	0	111.6	A725 L729 K730 N731	A725-E727 PolarHBondContact O-N 3.23Å; E727-L729 VanDerWaalsContact C-N 3.26Å; E727-L729 PolarHBondContact O-N 2.73Å; E727-K730 PolarHBondContact O-N 3.43Å; E727-N731 WeakPolarHBondContact O-CB 3.42Å; E727-N731 PolarHBondContact O-N 3.06Å; E727-N731 PolarHBondContact O-ND2 3.18Å
728	D	90.6	Very high	91.1	Very high	81 Å²	81	44.5 Å²	44.5	43%	0.433	24%	0.238	S	C	.	.	H	α-helix	trans	-64.6	-34.8	177.4	-69.9	-23.3	0	0	0	112	C724 A725 Y732	C724-D728 HydrophobicContact CB-CB 4.38Å; A725-D728 PolarHBondContact O-N 2.75Å; D728-Y732 WeakPolarHBondContact O-CB 3.41Å; D728-Y732 PolarHBondContact O-N 2.84Å
729	L	90.1	Very high	91.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-65.6	-48.7	175.9	-161.9	79.4	0	0	0	111	W721 A725 V726 E727 Y732 M733 V977 A1025 Y1026 L1029	W721-L729 HydrophobicContact CB-CD1 3.76Å; A725-L729 PolarHBondContact O-N 2.73Å; V726-L729 VanDerWaalsContact O-CB 3.3Å; V726-L729 WeakPolarHBondContact O-CB 3.38Å; V726-L729 PolarHBondContact O-N 2.8Å; E727-L729 VanDerWaalsContact C-N 3.26Å; E727-L729 PolarHBondContact O-N 2.73Å; L729-Y732 PolarHBondContact O-N 3.42Å; L729-M733 PolarHBondContact O-N 3.05Å; L729-M733 VanDerWaalsContact O-N 3.13Å; L729-V977 HydrophobicContact CD2-CG1 4.27Å; L729-A1025 HydrophobicContact CD2-CB 3.64Å; L729-A1025 HydrophobicContact CG-CB 3.91Å; L729-Y1026 HydrophobicContact CD1-CE1 4.41Å; L729-Y1026 HydrophobicContact CD2-CD1 3.54Å; L729-Y1026 HydrophobicContact CD2-CD2 4.13Å; L729-Y1026 HydrophobicContact CD2-CE1 3.39Å; L729-Y1026 HydrophobicContact CD2-CE2 4Å; L729-Y1026 HydrophobicContact CD2-CG 3.91Å; L729-L1029 HydrophobicContact CD1-CD1 3.16Å; L729-L1029 HydrophobicContact CG-CD1 3.85Å
730	K	88.9	Confident	91.3	Very high	62 Å²	62	42.2 Å²	42.2	27%	0.27	22%	0.22	S	C	.	.	H	α-helix	trans	-58.7	-47.4	174.7	-73.7	-178.4	-179.8	178.6	0	110.9	V726 E727 Y732 M733 N734 V977	V726-K730 PolarHBondContact O-N 2.89Å; E727-K730 PolarHBondContact O-N 3.43Å; K730-Y732 VanDerWaalsContact C-N 3.31Å; K730-Y732 PolarHBondContact O-N 3.24Å; K730-M733 PolarHBondContact O-N 2.79Å; K730-N734 VanDerWaalsContact O-CB 3.32Å; K730-N734 WeakPolarHBondContact O-CB 3.37Å; K730-N734 VanDerWaalsContact O-CG 3.22Å; K730-N734 PolarHBondContact O-N 3.34Å; K730-N734 PolarHBondContact O-ND2 3.05Å; K730-V977 HydrophobicContact CD-CG2 4.09Å; K730-V977 HydrophobicContact CG-CG2 3.99Å
731	N	91.8	Very high	91.4	Very high	31 Å²	31	41.9 Å²	41.9	17%	0.166	22%	0.223	C	C	.	.	H	α-helix	trans	-59.3	-41.2	179.2	-75.3	-23	0	0	0	112.1	Y692 E727 T735	Y692-N731 HydrophobicContact CD1-CB 3.77Å; Y692-N731 HydrophobicContact CE1-CB 4.1Å; E727-N731 WeakPolarHBondContact O-CB 3.42Å; E727-N731 PolarHBondContact O-N 3.06Å; E727-N731 PolarHBondContact O-ND2 3.18Å; N731-T735 WeakPolarHBondContact O-CB 3.39Å; N731-T735 PolarHBondContact O-N 3.44Å; N731-T735 PolarHBondContact O-OG1 2.89Å
732	Y	92.7	Very high	91.4	Very high	20 Å²	20	45 Å²	45	8%	0.078	24%	0.237	C	C	.	.	H	α-helix	trans	-63.2	-44.7	176.2	-173.4	-89.2	0	0	0	112.2	M715 G716 K718 D728 L729 K730 T735 I736 I748 L1029	M715-Y732 HydrophobicContact CE-CD2 3.64Å; M715-Y732 HydrophobicContact CE-CE1 4.44Å; M715-Y732 HydrophobicContact CE-CE2 3.31Å; M715-Y732 HydrophobicContact CE-CG 4.35Å; M715-Y732 HydrophobicContact SD-CE2 4.23Å; G716-Y732 WeakPolarHBondContact O-CE2 3.48Å; G716-Y732 PolarHBondContact O-OH 2.93Å; K718-Y732 HydrophobicContact CB-CD1 4.41Å; K718-Y732 HydrophobicContact CB-CD2 3.83Å; K718-Y732 HydrophobicContact CB-CE1 4.34Å; K718-Y732 HydrophobicContact CB-CE2 3.72Å; K718-Y732 HydrophobicContact CB-CG 4.18Å; K718-Y732 HydrophobicContact CD-CD2 4.08Å; K718-Y732 HydrophobicContact CD-CG 4.01Å; K718-Y732 HydrophobicContact CG-CD2 4.45Å; D728-Y732 WeakPolarHBondContact O-CB 3.41Å; D728-Y732 PolarHBondContact O-N 2.84Å; L729-Y732 PolarHBondContact O-N 3.42Å; K730-Y732 VanDerWaalsContact C-N 3.31Å; K730-Y732 PolarHBondContact O-N 3.24Å; Y732-T735 PolarHBondContact O-N 3.42Å; Y732-I736 HydrophobicContact CD1-CD1 4.14Å; Y732-I736 HydrophobicContact CE1-CD1 3.77Å; Y732-I736 PolarHBondContact O-N 3.3Å; Y732-I748 WeakPolarHBondContact OH-CG2 3.27Å; Y732-L1029 HydrophobicContact CD1-CD2 4.26Å; Y732-L1029 HydrophobicContact CE1-CD2 4.05Å
733	M	90.9	Very high	91.5	Very high	12 Å²	12	45.1 Å²	45.1	6%	0.059	25%	0.245	C	C	.	.	H	α-helix	trans	-68	-44.6	178	-169.5	177.9	-161.4	0	0	112.1	L729 K730 T735 I736 H737 P1018 E1023 A1025 F1028	L729-M733 PolarHBondContact O-N 3.05Å; L729-M733 VanDerWaalsContact O-N 3.13Å; K730-M733 PolarHBondContact O-N 2.79Å; M733-T735 VanDerWaalsContact C-N 3.28Å; M733-T735 PolarHBondContact O-N 3.16Å; M733-I736 WeakPolarHBondContact O-CB 3.26Å; M733-I736 PolarHBondContact O-N 2.84Å; M733-I736 VanDerWaalsContact O-N 3.16Å; M733-H737 PolarHBondContact O-CD2 3.35Å; M733-H737 PolarHBondContact O-N 2.97Å; M733-H737 VanDerWaalsContact O-N 3.11Å; M733-P1018 HydrophobicContact CE-CB 3.64Å; M733-E1023 WeakPolarHBondContact CE-O 3.44Å; M733-A1025 VanDerWaalsContact SD-CA 3.53Å; M733-A1025 HydrophobicContact SD-CB 3.74Å; M733-F1028 HydrophobicContact CE-CB 3.98Å; M733-F1028 HydrophobicContact CE-CG 4.36Å
734	N	91.4	Very high	91.7	Very high	65 Å²	65	39.9 Å²	39.9	35%	0.348	21%	0.212	S	C	.	.	H	α-helix	trans	-62.3	-37.8	177.1	-70.1	-14.7	0	0	0	111	F693 K730 I736 H737 E738	F693-N734 HydrophobicContact CD2-CB 3.89Å; F693-N734 VanDerWaalsContact CE2-C 3.48Å; F693-N734 HydrophobicContact CE2-CB 3.4Å; F693-N734 HydrophobicContact CZ-CB 3.89Å; K730-N734 VanDerWaalsContact O-CB 3.32Å; K730-N734 WeakPolarHBondContact O-CB 3.37Å; K730-N734 VanDerWaalsContact O-CG 3.22Å; K730-N734 PolarHBondContact O-N 3.34Å; K730-N734 PolarHBondContact O-ND2 3.05Å; N734-I736 VanDerWaalsContact C-N 3.29Å; N734-I736 PolarHBondContact O-N 2.92Å; N734-H737 WeakPolarHBondContact O-CB 3.47Å; N734-H737 PolarHBondContact O-N 3.03Å; N734-H737 VanDerWaalsContact O-N 3.13Å; N734-E738 WeakPolarHBondContact O-CB 3.48Å; N734-E738 PolarHBondContact O-N 3.29Å
735	T	94.9	Very high	91.9	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-56.9	-43.7	174.9	-61.6	0	0	0	0	111.3	F622 I696 M715 N731 Y732 M733 E738 C739	F622-T735 HydrophobicContact CD2-CG2 4.21Å; F622-T735 HydrophobicContact CE2-CG2 3.74Å; F622-T735 HydrophobicContact CZ-CG2 4.11Å; I696-T735 HydrophobicContact CD1-CG2 4.36Å; I696-T735 HydrophobicContact CG2-CG2 3.98Å; M715-T735 HydrophobicContact CE-CG2 4.08Å; N731-T735 WeakPolarHBondContact O-CB 3.39Å; N731-T735 PolarHBondContact O-N 3.44Å; N731-T735 PolarHBondContact O-OG1 2.89Å; Y732-T735 PolarHBondContact O-N 3.42Å; M733-T735 VanDerWaalsContact C-N 3.28Å; M733-T735 PolarHBondContact O-N 3.16Å; T735-E738 PolarHBondContact O-N 3.31Å; T735-C739 PolarHBondContact O-N 3.31Å; T735-C739 PolarHBondContact O-SG 3.26Å
736	I	94.2	Very high	92.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63.6	-45	177.3	-65.1	167.4	0	0	0	110.5	M715 Y732 M733 N734 E738 C739 F740 V746 I748 P1018 F1028	M715-I736 HydrophobicContact SD-CD1 4.35Å; M715-I736 HydrophobicContact SD-CG1 3.78Å; Y732-I736 HydrophobicContact CD1-CD1 4.14Å; Y732-I736 HydrophobicContact CE1-CD1 3.77Å; Y732-I736 PolarHBondContact O-N 3.3Å; M733-I736 WeakPolarHBondContact O-CB 3.26Å; M733-I736 PolarHBondContact O-N 2.84Å; M733-I736 VanDerWaalsContact O-N 3.16Å; N734-I736 VanDerWaalsContact C-N 3.29Å; N734-I736 PolarHBondContact O-N 2.92Å; I736-E738 VanDerWaalsContact C-N 3.32Å; I736-E738 PolarHBondContact O-N 2.77Å; I736-C739 PolarHBondContact O-N 3.28Å; I736-F740 HydrophobicContact CG2-CD2 4.08Å; I736-F740 HydrophobicContact CG2-CE2 3.45Å; I736-F740 VanDerWaalsContact CG2-CE2 3.45Å; I736-F740 HydrophobicContact CG2-CZ 4.06Å; I736-F740 VanDerWaalsContact O-CD2 3.26Å; I736-F740 WeakPolarHBondContact O-CD2 3.35Å; I736-F740 PolarHBondContact O-N 2.92Å; I736-V746 HydrophobicContact CG2-CG1 4.48Å; I736-I748 HydrophobicContact CD1-CD1 3.82Å; I736-I748 HydrophobicContact CG1-CD1 4.49Å; I736-P1018 HydrophobicContact CG2-CG 3.98Å; I736-F1028 HydrophobicContact CD1-CE1 3.84Å; I736-F1028 HydrophobicContact CD1-CZ 4.41Å
737	H	92.4	Very high	92.7	Very high	19 Å²	19	35.2 Å²	35.2	9%	0.088	18%	0.179	C	C	.	.	H	α-helix	trans	-61.7	-40.9	177.3	-77.2	-54.6	0	0	0	112.7	M733 N734 F740 S741 P1018 K1020	M733-H737 PolarHBondContact O-CD2 3.35Å; M733-H737 PolarHBondContact O-N 2.97Å; M733-H737 VanDerWaalsContact O-N 3.11Å; N734-H737 WeakPolarHBondContact O-CB 3.47Å; N734-H737 PolarHBondContact O-N 3.03Å; N734-H737 VanDerWaalsContact O-N 3.13Å; H737-F740 PolarHBondContact O-N 3.47Å; H737-S741 PolarHBondContact O-N 3.28Å; H737-S741 PolarHBondContact O-OG 3.06Å; H737-S741 VanDerWaalsContact O-OG 3.13Å; H737-P1018 PolarHBondContact CE1-O 2.89Å; H737-K1020 VanDerWaalsContact CE1-CG 3.46Å; H737-K1020 WeakPolarHBondContact CE1-CG 3.33Å
738	E	94.1	Very high	93.2	Very high	38 Å²	38	29.6 Å²	29.6	18%	0.178	15%	0.152	C	C	.	.	H	α-helix	trans	-68.2	-38.3	-179.5	-155.4	51.8	-130.1	0	0	111.6	F693 E697 L700 N734 T735 I736 F740 S741 H742	F693-E738 HydrophobicContact CE2-CB 4.2Å; F693-E738 HydrophobicContact CZ-CB 3.93Å; F693-E738 HydrophobicContact CZ-CG 3.96Å; E697-E738 HydrophobicContact CG-CG 4.37Å; L700-E738 HydrophobicContact CD1-CB 4.05Å; L700-E738 HydrophobicContact CD1-CG 3.85Å; N734-E738 WeakPolarHBondContact O-CB 3.48Å; N734-E738 PolarHBondContact O-N 3.29Å; T735-E738 PolarHBondContact O-N 3.31Å; I736-E738 VanDerWaalsContact C-N 3.32Å; I736-E738 PolarHBondContact O-N 2.77Å; E738-F740 VanDerWaalsContact C-N 3.26Å; E738-F740 PolarHBondContact O-N 3.05Å; E738-S741 WeakPolarHBondContact O-CB 3.43Å; E738-S741 PolarHBondContact O-N 2.87Å; E738-S741 VanDerWaalsContact O-N 3.11Å; E738-H742 PolarHBondContact O-CD2 3.31Å; E738-H742 PolarHBondContact O-N 3.37Å; E738-H742 VanDerWaalsContact O-N 3.11Å; E738-H742 IonicContact OE1-CD2 2.63Å; E738-H742 IonicContact OE1-NE2 3.34Å
739	C	95.4	Very high	93.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-58.4	-40.6	172.7	-65.9	0	0	0	0	112.1	A713 T735 I736 H742 M744 V746	A713-C739 HydrophobicContact CB-CB 4.03Å; A713-C739 WeakPolarHBondContact CB-SG 3.47Å; T735-C739 PolarHBondContact O-N 3.31Å; T735-C739 PolarHBondContact O-SG 3.26Å; I736-C739 PolarHBondContact O-N 3.28Å; C739-H742 PolarHBondContact O-N 3Å; C739-M744 HydrophobicContact CB-CE 4.1Å; C739-M744 WeakPolarHBondContact O-CB 3.37Å; C739-M744 PolarHBondContact O-N 3.44Å; C739-V746 HydrophobicContact CB-CG2 3.46Å; C739-V746 VanDerWaalsContact CB-CG2 3.46Å
740	F	92.4	Very high	93.8	Very high	46 Å²	46	27.4 Å²	27.4	20%	0.202	14%	0.138	C	C	.	.	H	α-helix	trans	-70.9	-34.6	175.5	-63.2	-43	0	0	0	112.9	I736 H737 E738 H742 D743 V746 V1017 R1046	I736-F740 HydrophobicContact CG2-CD2 4.08Å; I736-F740 HydrophobicContact CG2-CE2 3.45Å; I736-F740 VanDerWaalsContact CG2-CE2 3.45Å; I736-F740 HydrophobicContact CG2-CZ 4.06Å; I736-F740 VanDerWaalsContact O-CD2 3.26Å; I736-F740 WeakPolarHBondContact O-CD2 3.35Å; I736-F740 PolarHBondContact O-N 2.92Å; H737-F740 PolarHBondContact O-N 3.47Å; E738-F740 VanDerWaalsContact C-N 3.26Å; E738-F740 PolarHBondContact O-N 3.05Å; F740-H742 PolarHBondContact O-N 2.89Å; F740-D743 PolarHBondContact O-N 3.03Å; F740-D743 VanDerWaalsContact O-N 3.15Å; F740-V746 HydrophobicContact CD1-CG2 3.93Å; F740-V746 HydrophobicContact CE1-CB 3.85Å; F740-V746 HydrophobicContact CE1-CG2 3.48Å; F740-V746 VanDerWaalsContact CE1-CG2 3.48Å; F740-V746 HydrophobicContact CZ-CB 3.98Å; F740-V746 HydrophobicContact CZ-CG2 3.83Å; F740-V1017 HydrophobicContact CD2-CG1 4.44Å; F740-V1017 HydrophobicContact CE2-CG1 4.04Å; F740-R1046 HydrophobicContact CE1-CB 4.04Å; F740-R1046 HydrophobicContact CE1-CG 3.82Å; F740-R1046 HydrophobicContact CZ-CB 4.02Å; F740-R1046 HydrophobicContact CZ-CG 3.88Å
741	S	91.6	Very high	94	Very high	62 Å²	62	24.8 Å²	24.8	43%	0.434	13%	0.127	S	C	.	.	H	α-helix	trans	-58.3	-31.2	172.6	-55.6	0	0	0	0	112	H737 E738	H737-S741 PolarHBondContact O-N 3.28Å; H737-S741 PolarHBondContact O-OG 3.06Å; H737-S741 VanDerWaalsContact O-OG 3.13Å; E738-S741 WeakPolarHBondContact O-CB 3.43Å; E738-S741 PolarHBondContact O-N 2.87Å; E738-S741 VanDerWaalsContact O-N 3.11Å
742	H	92.3	Very high	93.6	Very high	65 Å²	65	29.1 Å²	29.1	30%	0.301	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	18.9	178.8	-79.6	-79.2	0	0	0	114.2	E738 C739 F740 M744	E738-H742 PolarHBondContact O-CD2 3.31Å; E738-H742 PolarHBondContact O-N 3.37Å; E738-H742 VanDerWaalsContact O-N 3.11Å; E738-H742 IonicContact OE1-CD2 2.63Å; E738-H742 IonicContact OE1-NE2 3.34Å; C739-H742 PolarHBondContact O-N 3Å; F740-H742 PolarHBondContact O-N 2.89Å; H742-M744 HydrophobicContact CB-CE 3.6Å; H742-M744 PolarHBondContact O-N 3.39Å; H742-M744 VanDerWaalsContact O-N 3.08Å
743	D	91.9	Very high	93.1	Very high	106 Å²	106	31 Å²	31	57%	0.567	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	29	-178.7	-68	-35.4	0	0	0	114.3	F740 N1048	F740-D743 PolarHBondContact O-N 3.03Å; F740-D743 VanDerWaalsContact O-N 3.15Å; D743-N1048 WeakPolarHBondContact O-CB 3.31Å; D743-N1048 PolarHBondContact O-ND2 2.62Å
744	M	94	Very high	92.9	Very high	11 Å²	11	30.8 Å²	30.8	5%	0.054	18%	0.177	C	C	.	.			trans	-93.6	145.7	175.1	-68.4	179.2	-70.4	0	0	111.7	L700 C739 H742	L700-M744 HydrophobicContact CB-CE 4.09Å; L700-M744 HydrophobicContact CD1-CE 3.74Å; L700-M744 HydrophobicContact CD2-CE 3.15Å; L700-M744 HydrophobicContact CD2-SD 3.98Å; L700-M744 HydrophobicContact CG-CE 3.8Å; C739-M744 HydrophobicContact CB-CE 4.1Å; C739-M744 WeakPolarHBondContact O-CB 3.37Å; C739-M744 PolarHBondContact O-N 3.44Å; H742-M744 HydrophobicContact CB-CE 3.6Å; H742-M744 PolarHBondContact O-N 3.39Å; H742-M744 VanDerWaalsContact O-N 3.08Å
745	A	95.7	Very high	92.7	Very high	1 Å²	1	28 Å²	28	1%	0.008	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	150.7	164.5	0	0	0	0	0	110.3	N711 I712 A713 L883 R1046	N711-A745 PolarHBondContact O-N 3.17Å; I712-A745 CarbonylContact C-O 3.39Å; I712-A745 WeakPolarHBondContact CA-O 3.35Å; I712-A745 HydrophobicContact CB-CB 4.41Å; I712-A745 HydrophobicContact CG1-CB 3.9Å; I712-A745 HydrophobicContact CG2-CB 4.45Å; A713-A745 PolarHBondContact N-O 2.88Å; A745-L883 HydrophobicContact CB-CD2 3.35Å; A745-R1046 CarbonylContact C-O 3.51Å; A745-R1046 WeakPolarHBondContact CA-O 3.35Å; A745-R1046 VanDerWaalsContact CB-O 3.27Å; A745-R1046 WeakPolarHBondContact CB-O 3.45Å
746	V	97	Very high	92.5	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.006	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	129.3	179.2	178	0	0	0	0	110.2	A713 I736 C739 F740 I748 L1015 R1046	A713-V746 HydrophobicContact CB-CG2 4.49Å; A713-V746 CarbonylContact O-C 3.42Å; A713-V746 WeakPolarHBondContact O-CA 3.35Å; I736-V746 HydrophobicContact CG2-CG1 4.48Å; C739-V746 HydrophobicContact CB-CG2 3.46Å; C739-V746 VanDerWaalsContact CB-CG2 3.46Å; F740-V746 HydrophobicContact CD1-CG2 3.93Å; F740-V746 HydrophobicContact CE1-CB 3.85Å; F740-V746 HydrophobicContact CE1-CG2 3.48Å; F740-V746 VanDerWaalsContact CE1-CG2 3.48Å; F740-V746 HydrophobicContact CZ-CB 3.98Å; F740-V746 HydrophobicContact CZ-CG2 3.83Å; V746-I748 HydrophobicContact CG1-CG1 4.17Å; V746-L1015 HydrophobicContact CB-CD2 4.2Å; V746-L1015 HydrophobicContact CG1-CD2 3.87Å; V746-R1046 PolarHBondContact N-O 3.49Å; V746-R1046 PolarHBondContact O-N 2.99Å
747	C	97.5	Very high	92.2	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.007	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	127.1	175.6	-71.8	0	0	0	0	110.4	I712 A713 F714 M715 L1043 L1044	I712-C747 HydrophobicContact CG2-CB 4.38Å; A713-C747 PolarHBondContact O-N 3.08Å; F714-C747 WeakPolarHBondContact CA-O 3.38Å; F714-C747 HydrophobicContact CB-CB 4.46Å; F714-C747 HydrophobicContact CD2-CB 3.31Å; F714-C747 HydrophobicContact CE2-CB 3.56Å; F714-C747 HydrophobicContact CG-CB 3.94Å; F714-C747 HydrophobicContact CZ-CB 4.35Å; M715-C747 PolarHBondContact N-O 3.08Å; C747-L1043 HydrophobicContact CB-CD1 4.23Å; C747-L1044 CarbonylContact C-O 3.52Å; C747-L1044 VanDerWaalsContact CA-O 3.28Å; C747-L1044 WeakPolarHBondContact CA-O 3.41Å
748	I	97.6	Very high	92	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	115.9	177.7	-51.6	-178.4	0	0	0	109.5	M715 Y732 I736 V746 L1015 L1032 L1044	M715-I748 HydrophobicContact CG-CB 4.41Å; M715-I748 HydrophobicContact CG-CG1 3.79Å; M715-I748 HydrophobicContact CG-CG2 4.44Å; M715-I748 WeakPolarHBondContact O-CA 3.4Å; M715-I748 HydrophobicContact SD-CD1 4.33Å; M715-I748 HydrophobicContact SD-CG1 4.15Å; Y732-I748 WeakPolarHBondContact OH-CG2 3.27Å; I736-I748 HydrophobicContact CD1-CD1 3.82Å; I736-I748 HydrophobicContact CG1-CD1 4.49Å; V746-I748 HydrophobicContact CG1-CG1 4.17Å; I748-L1015 HydrophobicContact CD1-CD1 3.78Å; I748-L1015 HydrophobicContact CD1-CD2 3.95Å; I748-L1015 HydrophobicContact CG1-CD1 4.41Å; I748-L1015 HydrophobicContact CG1-CD2 4.15Å; I748-L1032 HydrophobicContact CD1-CD1 4.19Å; I748-L1044 HydrophobicContact CB-CB 4.23Å; I748-L1044 HydrophobicContact CB-CD1 4.1Å; I748-L1044 HydrophobicContact CG2-CD1 4.24Å; I748-L1044 PolarHBondContact N-O 3.15Å; I748-L1044 PolarHBondContact O-N 3.39Å
749	L	97	Very high	91.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	119.6	176.1	-177.9	67.2	0	0	0	110.9	L632 F635 F714 M715 Y717 L751 F863 L1043	L632-L749 HydrophobicContact CD2-CB 4.08Å; L632-L749 HydrophobicContact CD2-CD2 4.06Å; F635-L749 HydrophobicContact CB-CD2 3.97Å; F635-L749 HydrophobicContact CD1-CD2 4.2Å; F635-L749 HydrophobicContact CD2-CD1 4.22Å; F635-L749 HydrophobicContact CD2-CD2 4.07Å; F635-L749 HydrophobicContact CE1-CD1 4.31Å; F635-L749 HydrophobicContact CE2-CD1 3.98Å; F635-L749 HydrophobicContact CG-CD1 4.47Å; F635-L749 HydrophobicContact CG-CD2 3.81Å; F635-L749 HydrophobicContact CZ-CD1 4.03Å; F714-L749 HydrophobicContact CE1-CB 3.75Å; F714-L749 HydrophobicContact CZ-CB 4.06Å; M715-L749 PolarHBondContact O-N 2.99Å; Y717-L749 PolarHBondContact N-O 3.38Å; L749-L751 HydrophobicContact CD1-CD2 4.24Å; L749-L751 HydrophobicContact CD2-CD2 4.3Å; L749-L751 HydrophobicContact CD2-CG 4.44Å; L749-L751 HydrophobicContact CG-CD2 4.15Å; L749-L751 HydrophobicContact CG-CG 4.32Å; L749-F863 HydrophobicContact CD2-CE2 3.91Å; L749-F863 HydrophobicContact CD2-CZ 4.2Å; L749-L1043 HydrophobicContact CB-CD1 4.28Å; L749-L1043 HydrophobicContact CD1-CD1 4.36Å
750	R	95.4	Very high	91.2	Very high	35 Å²	35	39.4 Å²	39.4	13%	0.132	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	132.1	170.9	-172.7	178.5	-179.1	169.7	4.3	111.2	Y717 L1032 E1033 T1036 P1041 V1042	Y717-R750 HydrophobicContact CD1-CG 3.8Å; Y717-R750 HydrophobicContact CG-CB 4.03Å; Y717-R750 HydrophobicContact CG-CG 3.8Å; R750-L1032 PolarHBondContact NH1-O 2.83Å; R750-E1033 IonicContact CZ-OE2 3.11Å; R750-E1033 VanDerWaalsContact CZ-OE2 3.25Å; R750-E1033 VanDerWaalsContact NH1-CA 3.3Å; R750-E1033 PolarHBondContact NH1-O 3.31Å; R750-E1033 IonicContact NH1-OE2 2.72Å; R750-E1033 PolarHBondContact NH1-OE2 2.97Å; R750-E1033 VanDerWaalsContact NH2-CD 3.29Å; R750-E1033 IonicContact NH2-OE1 2.81Å; R750-E1033 PolarHBondContact NH2-OE1 3.35Å; R750-E1033 IonicContact NH2-OE2 3.82Å; R750-E1033 PolarHBondContact NH2-OE2 3.3Å; R750-T1036 WeakPolarHBondContact CD-OG1 3.22Å; R750-T1036 PolarHBondContact NH1-OG1 3.27Å; R750-P1041 WeakPolarHBondContact O-CA 3.33Å; R750-V1042 PolarHBondContact N-O 3.47Å; R750-V1042 PolarHBondContact O-N 2.62Å
751	L	92.8	Very high	90.8	Very high	8 Å²	8	37.4 Å²	37.4	4%	0.042	22%	0.219	C	C	.	.			trans	-124.7	147.8	173.8	-54.5	175.7	0	0	0	109.8	C631 L749 S753 G754 C755 F863 P1041	C631-L751 HydrophobicContact CB-CD1 4.05Å; L749-L751 HydrophobicContact CD1-CD2 4.24Å; L749-L751 HydrophobicContact CD2-CD2 4.3Å; L749-L751 HydrophobicContact CD2-CG 4.44Å; L749-L751 HydrophobicContact CG-CD2 4.15Å; L749-L751 HydrophobicContact CG-CG 4.32Å; L751-S753 VanDerWaalsContact C-N 3.26Å; L751-S753 PolarHBondContact O-N 2.91Å; L751-G754 PolarHBondContact O-N 2.91Å; L751-G754 VanDerWaalsContact O-N 3.15Å; L751-C755 VanDerWaalsContact CD1-SG 3.57Å; L751-F863 HydrophobicContact CD1-CE2 4.21Å; L751-F863 HydrophobicContact CD1-CZ 4.44Å; L751-F863 HydrophobicContact CD2-CE2 4.23Å; L751-F863 HydrophobicContact CD2-CZ 3.67Å; L751-P1041 HydrophobicContact CD2-CB 3.81Å; L751-P1041 HydrophobicContact CD2-CG 4.04Å
752	S	84.9	Confident	90.5	Very high	121 Å²	121	40.6 Å²	40.6	85%	0.846	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-31.6	173	54.2	0	0	0	0	112.8	G754	S752-G754 VanDerWaalsContact C-N 3.3Å
753	S	82.2	Confident	90	Very high	59 Å²	59	44.7 Å²	44.7	41%	0.413	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-8.6	175.4	60.1	0	0	0	0	114.3	L751	L751-S753 VanDerWaalsContact C-N 3.26Å; L751-S753 PolarHBondContact O-N 2.91Å
754	G	87	Confident	89.5	Confident	9 Å²	9	42.5 Å²	42.5	9%	0.093	23%	0.226	C	C	.	.			trans	72.5	168.2	-161	0	0	0	0	0	112.7	L751 S752	L751-G754 PolarHBondContact O-N 2.91Å; L751-G754 VanDerWaalsContact O-N 3.15Å; S752-G754 VanDerWaalsContact C-N 3.3Å
755	C	86.5	Confident	88.4	Confident	7 Å²	7	45.7 Å²	45.7	5%	0.047	25%	0.247	C	C	.	.	S	Bend	trans	-100.5	-13.1	178	-67.2	0	0	0	0	113.8	R629 L632 L751	R629-C755 WeakPolarHBondContact CA-O 3.43Å; L632-C755 HydrophobicContact CD1-CB 4.43Å; L632-C755 HydrophobicContact CD2-CB 4.42Å; L632-C755 HydrophobicContact CG-CB 4.16Å; L751-C755 VanDerWaalsContact CD1-SG 3.57Å
756	D	90.5	Very high	87.4	Confident	69 Å²	69	52.2 Å²	52.2	37%	0.369	28%	0.276	S	S	.	.			trans	-101.7	118.7	-174.1	-157	-34.7	0	0	0	111.5	R629 S758	R629-D756 HydrophobicContact CG-CB 4.45Å; R629-D756 IonicContact CZ-OD2 3.75Å; R629-D756 IonicContact NE-OD2 3.94Å; R629-D756 PolarHBondContact NE-OD2 3.3Å; R629-D756 IonicContact NH2-OD2 3.52Å; R629-D756 PolarHBondContact NH2-OD2 3.46Å; D756-S758 VanDerWaalsContact OD1-CB 3.24Å; D756-S758 WeakPolarHBondContact OD1-CB 3.48Å; D756-S758 PolarHBondContact OD1-N 3.01Å; D756-S758 PolarHBondContact OD1-OG 3.39Å
757	F	88.7	Confident	86.5	Confident	6 Å²	6	54 Å²	54	3%	0.026	28%	0.283	C	S	.	.			trans	-110.7	14.5	179.2	-56.3	-77.6	0	0	0	112.6	S628 P630 C631 D759 L760 L761 L856 A859 V860	S628-F757 PolarHBondContact O-N 3.25Å; P630-F757 HydrophobicContact CG-CD2 4.29Å; C631-F757 HydrophobicContact CB-CE2 4.29Å; C631-F757 WeakPolarHBondContact SG-CE2 3.29Å; F757-D759 PolarHBondContact O-N 2.96Å; F757-L760 HydrophobicContact CD1-CD1 4.12Å; F757-L760 PolarHBondContact O-N 3.26Å; F757-L760 VanDerWaalsContact O-N 3.17Å; F757-L761 HydrophobicContact CB-CD1 4.03Å; F757-L761 HydrophobicContact CB-CG 4.1Å; F757-L761 WeakPolarHBondContact O-CB 2.98Å; F757-L761 VanDerWaalsContact O-CG 3.31Å; F757-L761 WeakPolarHBondContact O-CG 3.26Å; F757-L761 PolarHBondContact O-N 3.5Å; F757-L856 HydrophobicContact CB-CD1 4.27Å; F757-L856 HydrophobicContact CD1-CD1 3.7Å; F757-L856 HydrophobicContact CE1-CD1 4.45Å; F757-L856 HydrophobicContact CG-CD1 4.22Å; F757-A859 HydrophobicContact CE1-CB 3.75Å; F757-A859 HydrophobicContact CZ-CB 3.98Å; F757-V860 HydrophobicContact CB-CG2 4.48Å; F757-V860 HydrophobicContact CD1-CG2 4.37Å; F757-V860 HydrophobicContact CD2-CG2 4.13Å; F757-V860 HydrophobicContact CG-CG2 4.06Å
758	S	87.9	Confident	85.7	Confident	31 Å²	31	57.7 Å²	57.7	22%	0.217	30%	0.303	C	S	.	.	H	α-helix	trans	-49.1	-55.5	-177	-61.6	0	0	0	0	112.6	S628 D756 L760 L761 K762	S628-S758 WeakPolarHBondContact CB-OG 3.49Å; S628-S758 PolarHBondContact OG-OG 2.87Å; D756-S758 VanDerWaalsContact OD1-CB 3.24Å; D756-S758 WeakPolarHBondContact OD1-CB 3.48Å; D756-S758 PolarHBondContact OD1-N 3.01Å; D756-S758 PolarHBondContact OD1-OG 3.39Å; S758-L760 VanDerWaalsContact C-N 3.33Å; S758-L760 PolarHBondContact O-N 3Å; S758-L761 PolarHBondContact O-N 3.11Å; S758-K762 WeakPolarHBondContact O-CG 3.45Å; S758-K762 PolarHBondContact O-N 3.3Å
759	D	86.7	Confident	84.9	Confident	114 Å²	114	57.8 Å²	57.8	61%	0.61	30%	0.304	S	S	*	.	H	α-helix	trans	-67.6	-33.3	-176.9	-65.2	-28.1	0	0	0	113	F757 K763	F757-D759 PolarHBondContact O-N 2.96Å; D759-K763 WeakPolarHBondContact O-CG 3.44Å; D759-K763 PolarHBondContact O-N 3.18Å
760	L	84.8	Confident	84.3	Confident	75 Å²	75	58.8 Å²	58.8	39%	0.393	31%	0.311	S	S	.	.	H	α-helix	trans	-72.9	-40.5	178.3	-69.5	171.4	0	0	0	111.1	F757 S758 K763 Y764 L856	F757-L760 HydrophobicContact CD1-CD1 4.12Å; F757-L760 PolarHBondContact O-N 3.26Å; F757-L760 VanDerWaalsContact O-N 3.17Å; S758-L760 VanDerWaalsContact C-N 3.33Å; S758-L760 PolarHBondContact O-N 3Å; L760-K763 PolarHBondContact O-N 3.31Å; L760-Y764 WeakPolarHBondContact O-CD2 3.48Å; L760-Y764 PolarHBondContact O-N 3.35Å; L760-Y764 VanDerWaalsContact O-N 3.16Å; L760-L856 HydrophobicContact CB-CD1 3.83Å; L760-L856 HydrophobicContact CB-CD2 3.99Å; L760-L856 HydrophobicContact CD1-CD1 4.03Å
761	L	85.5	Confident	83.7	Confident	5 Å²	5	61.3 Å²	61.3	3%	0.026	33%	0.327	C	S	.	.	H	α-helix	trans	-70.1	-32.9	177.6	-68.2	169.5	0	0	0	112.1	V627 F757 S758 K763 Y764 F767 L773 L856	V627-L761 VanDerWaalsContact O-CD1 3.29Å; V627-L761 WeakPolarHBondContact O-CD1 3.46Å; F757-L761 HydrophobicContact CB-CD1 4.03Å; F757-L761 HydrophobicContact CB-CG 4.1Å; F757-L761 WeakPolarHBondContact O-CB 2.98Å; F757-L761 VanDerWaalsContact O-CG 3.31Å; F757-L761 WeakPolarHBondContact O-CG 3.26Å; F757-L761 PolarHBondContact O-N 3.5Å; S758-L761 PolarHBondContact O-N 3.11Å; L761-K763 VanDerWaalsContact C-N 3.33Å; L761-Y764 CarbonylContact O-C 3.57Å; L761-Y764 VanDerWaalsContact O-C 3.28Å; L761-Y764 PolarHBondContact O-N 3.38Å; L761-F767 HydrophobicContact CD2-CB 3.84Å; L761-F767 HydrophobicContact CD2-CD2 3.96Å; L761-F767 HydrophobicContact CD2-CG 3.94Å; L761-L773 HydrophobicContact CB-CD1 3.68Å; L761-L773 HydrophobicContact CB-CD2 4.24Å; L761-L773 HydrophobicContact CD1-CD2 4.02Å; L761-L856 HydrophobicContact CD2-CD2 4.28Å
762	K	84.3	Confident	83.4	Confident	128 Å²	128	61.1 Å²	61.1	56%	0.557	33%	0.326	S	S	*	.	H	α-helix	trans	-61.6	-39.2	170.2	-75	177.9	-179.1	177.9	0	112.1	S758 Y764 L773	S758-K762 WeakPolarHBondContact O-CG 3.45Å; S758-K762 PolarHBondContact O-N 3.3Å; K762-Y764 VanDerWaalsContact C-N 3.32Å; K762-Y764 PolarHBondContact O-N 2.8Å; K762-L773 HydrophobicContact CG-CD1 4.04Å
763	K	83.1	Confident	83.6	Confident	152 Å²	152	56.5 Å²	56.5	66%	0.661	29%	0.292	S	S	*	.	H	α-helix	trans	-70.8	-25.5	176.7	-71.5	172.8	-175.7	177.6	0	113.4	D759 L760 L761 P765	D759-K763 WeakPolarHBondContact O-CG 3.44Å; D759-K763 PolarHBondContact O-N 3.18Å; L760-K763 PolarHBondContact O-N 3.31Å; L761-K763 VanDerWaalsContact C-N 3.33Å; K763-P765 WeakPolarHBondContact O-CD 3.44Å
764	Y	79.7	Confident	83.8	Confident	60 Å²	60	56.8 Å²	56.8	24%	0.235	29%	0.288	C	S	.	.			trans	-124.5	71	-176.5	-62	-66	0	0	0	111.7	L760 L761 K762 F766 F767 A852 L856	L760-Y764 WeakPolarHBondContact O-CD2 3.48Å; L760-Y764 PolarHBondContact O-N 3.35Å; L760-Y764 VanDerWaalsContact O-N 3.16Å; L761-Y764 CarbonylContact O-C 3.57Å; L761-Y764 VanDerWaalsContact O-C 3.28Å; L761-Y764 PolarHBondContact O-N 3.38Å; K762-Y764 VanDerWaalsContact C-N 3.32Å; K762-Y764 PolarHBondContact O-N 2.8Å; Y764-F766 AromaticContact CD1-CE1 3.75Å; Y764-F766 HydrophobicContact CD1-CE1 3.75Å; Y764-F766 AromaticContact CD1-CZ 3.99Å; Y764-F766 HydrophobicContact CD1-CZ 3.99Å; Y764-F766 HydrophobicContact CG-CE1 4.09Å; Y764-F766 HydrophobicContact CG-CZ 4.13Å; Y764-F766 PolarHBondContact O-N 2.72Å; Y764-F767 WeakPolarHBondContact O-CD2 3.03Å; Y764-A852 VanDerWaalsContact OH-CB 3.28Å; Y764-A852 WeakPolarHBondContact OH-CB 3.43Å; Y764-L856 HydrophobicContact CD2-CD2 3.68Å; Y764-L856 HydrophobicContact CE2-CD2 4.48Å; Y764-L856 HydrophobicContact CG-CD2 4.39Å
765	P	72.3	Confident	83.8	Confident	78 Å²	78	56.9 Å²	56.9	51%	0.506	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	20	-169	30.9	-37.9	0	0	0	115.8	K763 P844	K763-P765 WeakPolarHBondContact O-CD 3.44Å; P765-P844 HydrophobicContact CG-CG 4.32Å
766	F	74	Confident	83.8	Confident	137 Å²	137	60 Å²	60	60%	0.601	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-3.2	177.5	55	-100.4	0	0	0	113.6	Y764 A853	Y764-F766 AromaticContact CD1-CE1 3.75Å; Y764-F766 HydrophobicContact CD1-CE1 3.75Å; Y764-F766 AromaticContact CD1-CZ 3.99Å; Y764-F766 HydrophobicContact CD1-CZ 3.99Å; Y764-F766 HydrophobicContact CG-CE1 4.09Å; Y764-F766 HydrophobicContact CG-CZ 4.13Å; Y764-F766 PolarHBondContact O-N 2.72Å; F766-A853 HydrophobicContact CE2-CB 4.49Å; F766-A853 HydrophobicContact CZ-CB 3.78Å
767	F	78.8	Confident	83.5	Confident	39 Å²	39	59.1 Å²	59.1	17%	0.171	31%	0.308	C	S	.	.	S	Bend	trans	-76.1	148.9	172.8	-74.1	-85.8	0	0	0	110.9	L761 Y764 G769 C770 L856	L761-F767 HydrophobicContact CD2-CB 3.84Å; L761-F767 HydrophobicContact CD2-CD2 3.96Å; L761-F767 HydrophobicContact CD2-CG 3.94Å; Y764-F767 WeakPolarHBondContact O-CD2 3.03Å; F767-G769 PolarHBondContact O-N 2.88Å; F767-C770 PolarHBondContact O-N 3.37Å; F767-C770 PolarHBondContact O-SG 3Å; F767-L856 HydrophobicContact CD2-CD2 4.21Å; F767-L856 HydrophobicContact CE2-CD2 3.65Å; F767-L856 HydrophobicContact CE2-CG 4.15Å; F767-L856 HydrophobicContact CZ-CB 4.48Å; F767-L856 HydrophobicContact CZ-CD2 4.2Å; F767-L856 HydrophobicContact CZ-CG 4.2Å
768	D	79.6	Confident	83.3	Confident	79 Å²	79	59.4 Å²	59.4	42%	0.422	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	127.3	178.8	-171.8	25.4	0	0	0	110.8	W674 R677	W674-D768 PolarHBondContact NE1-O 2.85Å; R677-D768 IonicContact CZ-OD1 2.72Å; R677-D768 IonicContact CZ-OD2 2.96Å; R677-D768 VanDerWaalsContact CZ-OD2 3.28Å; R677-D768 IonicContact NE-OD2 2.62Å; R677-D768 VanDerWaalsContact NH1-CG 3.32Å; R677-D768 IonicContact NH1-OD1 3.54Å; R677-D768 PolarHBondContact NH1-OD1 3.18Å; R677-D768 IonicContact NH1-OD2 2.87Å; R677-D768 PolarHBondContact NH1-OD2 2.97Å; R677-D768 IonicContact NH2-OD1 3.05Å; R677-D768 PolarHBondContact NH2-OD1 2.86Å; R677-D768 IonicContact NH2-OD2 3.42Å
769	G	82	Confident	83	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.01	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.1	3.2	-177.6	0	0	0	0	0	115.3	V627 F767 D771 L772	V627-G769 WeakPolarHBondContact CG1-O 3.24Å; F767-G769 PolarHBondContact O-N 2.88Å; G769-D771 PolarHBondContact O-N 2.81Å; G769-D771 VanDerWaalsContact O-N 3.16Å; G769-L772 CarbonylContact O-C 3.51Å; G769-L772 WeakPolarHBondContact O-CA 3.31Å; G769-L772 WeakPolarHBondContact O-CB 3.28Å; G769-L772 PolarHBondContact O-N 2.83Å
770	C	84.5	Confident	82.8	Confident	22 Å²	22	57.5 Å²	57.5	15%	0.149	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-57.4	-28.6	176.8	-78.7	0	0	0	0	113.6	F767 L772 L773	F767-C770 PolarHBondContact O-N 3.37Å; F767-C770 PolarHBondContact O-SG 3Å; C770-L772 PolarHBondContact O-N 2.8Å; C770-L773 HydrophobicContact CB-CD1 4.41Å; C770-L773 WeakPolarHBondContact O-CG 3.29Å; C770-L773 PolarHBondContact O-N 2.76Å
771	D	81.9	Confident	82.5	Confident	88 Å²	88	55.9 Å²	55.9	47%	0.471	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-70.8	-12.7	172.4	59.8	-38.1	0	0	0	113.7	G769	G769-D771 PolarHBondContact O-N 2.81Å; G769-D771 VanDerWaalsContact O-N 3.16Å
772	L	87.5	Confident	82.1	Confident	3 Å²	3	57.5 Å²	57.5	2%	0.016	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-106.5	19.1	178.8	-53.5	175.2	0	0	0	112.5	N625 V627 W667 R670 I671 W674 G769 C770 F778	N625-L772 PolarHBondContact ND2-O 2.85Å; V627-L772 HydrophobicContact CG2-CB 4.2Å; W667-L772 HydrophobicContact CE3-CD2 3.88Å; W667-L772 VanDerWaalsContact CH2-CA 3.42Å; W667-L772 HydrophobicContact CH2-CB 4Å; W667-L772 WeakPolarHBondContact CH2-O 3.49Å; W667-L772 VanDerWaalsContact CZ2-O 3.31Å; W667-L772 WeakPolarHBondContact CZ2-O 3.3Å; W667-L772 HydrophobicContact CZ3-CB 4.04Å; W667-L772 HydrophobicContact CZ3-CD2 3.78Å; R670-L772 HydrophobicContact CB-CD1 4.03Å; R670-L772 HydrophobicContact CB-CD2 3.67Å; R670-L772 HydrophobicContact CG-CD2 4.32Å; I671-L772 HydrophobicContact CG1-CD1 4.21Å; W674-L772 HydrophobicContact CB-CD1 4.27Å; G769-L772 CarbonylContact O-C 3.51Å; G769-L772 WeakPolarHBondContact O-CA 3.31Å; G769-L772 WeakPolarHBondContact O-CB 3.28Å; G769-L772 PolarHBondContact O-N 2.83Å; C770-L772 PolarHBondContact O-N 2.8Å; L772-F778 HydrophobicContact CD2-CD2 3.85Å; L772-F778 HydrophobicContact CD2-CE2 3.82Å
773	L	87.5	Confident	81.6	Confident	25 Å²	25	57.5 Å²	57.5	13%	0.131	30%	0.304	C	S	.	.	S	Bend	trans	-78.7	-31.9	177.1	-70.8	171.3	0	0	0	113	N625 V627 L761 K762 C770	N625-L773 VanDerWaalsContact ND2-C 3.3Å; N625-L773 WeakPolarHBondContact ND2-CA 3.36Å; N625-L773 PolarHBondContact ND2-O 3.17Å; V627-L773 HydrophobicContact CB-CD2 4.3Å; V627-L773 HydrophobicContact CG1-CD2 4.07Å; L761-L773 HydrophobicContact CB-CD1 3.68Å; L761-L773 HydrophobicContact CB-CD2 4.24Å; L761-L773 HydrophobicContact CD1-CD2 4.02Å; K762-L773 HydrophobicContact CG-CD1 4.04Å; C770-L773 HydrophobicContact CB-CD1 4.41Å; C770-L773 WeakPolarHBondContact O-CG 3.29Å; C770-L773 PolarHBondContact O-N 2.76Å
774	D	87.8	Confident	81.3	Confident	64 Å²	64	52.6 Å²	52.6	34%	0.342	29%	0.292	S	S	.	.			trans	-127.5	112.6	-176	-178.4	-18.5	0	0	0	109.8	V776 A777 F778	D774-V776 VanDerWaalsContact C-N 3.32Å; D774-V776 PolarHBondContact O-N 3.05Å; D774-V776 WeakPolarHBondContact OD1-CB 3.41Å; D774-V776 PolarHBondContact OD1-N 3.19Å; D774-A777 HydrophobicContact CB-CB 3.82Å; D774-A777 PolarHBondContact OD1-N 3.04Å; D774-A777 VanDerWaalsContact OD1-N 3.12Å; D774-F778 WeakPolarHBondContact O-CB 3.33Å; D774-F778 PolarHBondContact O-N 3Å
775	P	86.3	Confident	81.1	Confident	12 Å²	12	55.7 Å²	55.7	8%	0.078	30%	0.304	C	S	.	.	H	α-helix	trans	-68.1	-30.5	-177.9	28.4	-34.1	0	0	0	112.9	I652 L660 W667 F778 K779	I652-P775 HydrophobicContact CD1-CB 4.31Å; I652-P775 HydrophobicContact CD1-CG 3.98Å; I652-P775 HydrophobicContact CG1-CG 4.38Å; I652-P775 HydrophobicContact CG2-CG 4.09Å; L660-P775 HydrophobicContact CD1-CB 4.16Å; L660-P775 HydrophobicContact CD2-CB 3.79Å; L660-P775 HydrophobicContact CD2-CG 3.99Å; W667-P775 HydrophobicContact CD2-CB 4.19Å; W667-P775 HydrophobicContact CE3-CB 4.46Å; W667-P775 VanDerWaalsContact CH2-CA 3.49Å; W667-P775 HydrophobicContact CH2-CB 3.96Å; W667-P775 HydrophobicContact CZ2-CB 3.77Å; W667-P775 HydrophobicContact CZ2-CG 4.44Å; W667-P775 HydrophobicContact CZ3-CB 4.36Å; P775-F778 PolarHBondContact O-N 2.81Å; P775-K779 PolarHBondContact O-N 2.96Å
776	V	86.3	Confident	80.9	Confident	71 Å²	71	57.5 Å²	57.5	43%	0.43	30%	0.3	S	S	.	.	H	α-helix	trans	-71.2	-48.7	178.4	-178.6	0	0	0	0	109.7	L654 D774 F778 K779 A780	L654-V776 HydrophobicContact CD1-CG2 4.17Å; L654-V776 HydrophobicContact CD2-CG2 3.82Å; D774-V776 VanDerWaalsContact C-N 3.32Å; D774-V776 PolarHBondContact O-N 3.05Å; D774-V776 WeakPolarHBondContact OD1-CB 3.41Å; D774-V776 PolarHBondContact OD1-N 3.19Å; V776-F778 PolarHBondContact O-N 3.33Å; V776-K779 PolarHBondContact O-N 2.8Å; V776-A780 PolarHBondContact O-N 3.28Å
777	A	84.8	Confident	80.7	Confident	51 Å²	51	55.3 Å²	55.3	42%	0.421	29%	0.294	S	S	.	.	H	α-helix	trans	-60.5	-36.2	176	0	0	0	0	0	111.7	D774 A780 A781	D774-A777 HydrophobicContact CB-CB 3.82Å; D774-A777 PolarHBondContact OD1-N 3.04Å; D774-A777 VanDerWaalsContact OD1-N 3.12Å; A777-A780 PolarHBondContact O-N 3.08Å; A777-A781 WeakPolarHBondContact O-CB 3.38Å; A777-A781 PolarHBondContact O-N 3.34Å
778	F	84.2	Confident	80.4	Confident	13 Å²	13	57.9 Å²	57.9	6%	0.057	31%	0.307	C	S	.	.	H	α-helix	trans	-66	-45.7	174.3	174.5	-87.6	0	0	0	112.8	W667 R670 L772 D774 P775 V776 A780 A781 E782	W667-F778 HydrophobicContact CB-CD1 4.37Å; W667-F778 HydrophobicContact CB-CE1 4.16Å; W667-F778 HydrophobicContact CD2-CD1 4.42Å; W667-F778 HydrophobicContact CE3-CB 3.62Å; W667-F778 AromaticContact CE3-CD1 3.44Å; W667-F778 HydrophobicContact CE3-CD1 3.44Å; W667-F778 VanDerWaalsContact CE3-CD1 3.44Å; W667-F778 AromaticContact CE3-CD2 3.85Å; W667-F778 HydrophobicContact CE3-CD2 3.85Å; W667-F778 HydrophobicContact CE3-CE1 4.01Å; W667-F778 HydrophobicContact CE3-CE2 4.37Å; W667-F778 AromaticContact CE3-CG 3.35Å; W667-F778 HydrophobicContact CE3-CG 3.35Å; W667-F778 HydrophobicContact CE3-CZ 4.45Å; W667-F778 HydrophobicContact CH2-CB 4.42Å; W667-F778 HydrophobicContact CZ3-CB 3.31Å; W667-F778 HydrophobicContact CZ3-CD1 4.09Å; W667-F778 AromaticContact CZ3-CD2 3.91Å; W667-F778 HydrophobicContact CZ3-CD2 3.91Å; W667-F778 AromaticContact CZ3-CG 3.51Å; W667-F778 HydrophobicContact CZ3-CG 3.51Å; R670-F778 HydrophobicContact CG-CE2 4.12Å; R670-F778 HydrophobicContact CG-CZ 3.88Å; L772-F778 HydrophobicContact CD2-CD2 3.85Å; L772-F778 HydrophobicContact CD2-CE2 3.82Å; D774-F778 WeakPolarHBondContact O-CB 3.33Å; D774-F778 PolarHBondContact O-N 3Å; P775-F778 PolarHBondContact O-N 2.81Å; V776-F778 PolarHBondContact O-N 3.33Å; F778-A780 VanDerWaalsContact C-N 3.29Å; F778-A780 PolarHBondContact O-N 3.02Å; F778-A781 PolarHBondContact O-N 3.04Å; F778-E782 WeakPolarHBondContact O-CB 3.2Å; F778-E782 PolarHBondContact O-N 2.82Å
779	K	81.7	Confident	79.7	Confident	46 Å²	46	60.7 Å²	60.7	20%	0.2	32%	0.318	C	S	.	.	H	α-helix	trans	-58.4	-44.3	175.8	-174.1	-179	172.9	-173.4	0	110.4	D659 L660 P775 V776 E782 R783	D659-K779 WeakPolarHBondContact O-CD 3.38Å; D659-K779 WeakPolarHBondContact O-CE 3.43Å; D659-K779 PolarHBondContact O-NZ 3.25Å; L660-K779 HydrophobicContact CD1-CB 4.16Å; L660-K779 HydrophobicContact CD1-CD 4.32Å; P775-K779 PolarHBondContact O-N 2.96Å; V776-K779 PolarHBondContact O-N 2.8Å; K779-E782 PolarHBondContact O-N 3.06Å; K779-R783 WeakPolarHBondContact O-CB 3.33Å; K779-R783 PolarHBondContact O-N 3.18Å
780	A	81.2	Confident	78.6	Confident	59 Å²	59	63.4 Å²	63.4	49%	0.488	34%	0.34	S	S	.	.	H	α-helix	trans	-61.9	-45.1	176.7	0	0	0	0	0	112.4	V776 A777 F778 E782 R783 A784	V776-A780 PolarHBondContact O-N 3.28Å; A777-A780 PolarHBondContact O-N 3.08Å; F778-A780 VanDerWaalsContact C-N 3.29Å; F778-A780 PolarHBondContact O-N 3.02Å; A780-E782 VanDerWaalsContact C-N 3.34Å; A780-E782 PolarHBondContact O-N 3.32Å; A780-R783 PolarHBondContact O-N 3.41Å; A780-A784 WeakPolarHBondContact O-CB 3.27Å; A780-A784 PolarHBondContact O-N 3.28Å
781	A	80.2	Confident	77.6	Confident	41 Å²	41	65 Å²	65	34%	0.339	35%	0.345	S	S	.	.	H	α-helix	trans	-64.7	-37.6	177.6	0	0	0	0	0	112.6	A777 F778 A784 R785	A777-A781 WeakPolarHBondContact O-CB 3.38Å; A777-A781 PolarHBondContact O-N 3.34Å; F778-A781 PolarHBondContact O-N 3.04Å; A781-A784 PolarHBondContact O-N 3.16Å; A781-R785 WeakPolarHBondContact O-CG 3.2Å; A781-R785 PolarHBondContact O-N 3.27Å
782	E	76.5	Confident	76.7	Confident	39 Å²	39	65.2 Å²	65.2	18%	0.182	34%	0.344	C	S	.	.	H	α-helix	trans	-70.3	-39.9	176.9	-165.4	65.6	-173.2	0	0	111.4	F778 K779 A780 A784 R785 R786	F778-E782 WeakPolarHBondContact O-CB 3.2Å; F778-E782 PolarHBondContact O-N 2.82Å; K779-E782 PolarHBondContact O-N 3.06Å; A780-E782 VanDerWaalsContact C-N 3.34Å; A780-E782 PolarHBondContact O-N 3.32Å; E782-A784 VanDerWaalsContact C-N 3.34Å; E782-A784 PolarHBondContact O-N 3.26Å; E782-R785 PolarHBondContact O-N 3.4Å; E782-R785 IonicContact OE2-NH1 3.95Å; E782-R785 PolarHBondContact OE2-NH1 3.03Å; E782-R786 WeakPolarHBondContact O-CG 3.44Å; E782-R786 PolarHBondContact O-N 3.36Å
783	R	74.6	Confident	75.3	Confident	127 Å²	127	67.5 Å²	67.5	48%	0.479	36%	0.359	S	S	.	.	H	α-helix	trans	-57.8	-46.7	170.8	-170.5	-178	-171.2	148.8	14.8	110.9	E79 K779 A780 R785 R786 L787	E79-R783 IonicContact OE2-CZ 2.76Å; E79-R783 IonicContact OE2-NH1 2.63Å; E79-R783 PolarHBondContact OE2-NH1 3.12Å; E79-R783 IonicContact OE2-NH2 3.66Å; E79-R783 PolarHBondContact OE2-NH2 3.5Å; K779-R783 WeakPolarHBondContact O-CB 3.33Å; K779-R783 PolarHBondContact O-N 3.18Å; A780-R783 PolarHBondContact O-N 3.41Å; R783-R785 PolarHBondContact O-N 3.24Å; R783-R786 PolarHBondContact O-N 2.84Å; R783-L787 HydrophobicContact CG-CD1 4.24Å; R783-L787 WeakPolarHBondContact O-CG 3.26Å; R783-L787 PolarHBondContact O-N 2.59Å
784	A	76.5	Confident	74	Confident	50 Å²	50	70 Å²	70	41%	0.413	37%	0.372	S	S	.	.	H	α-helix	trans	-61.7	-40.8	177.3	0	0	0	0	0	112.5	A780 A781 E782 L787 E788	A780-A784 WeakPolarHBondContact O-CB 3.27Å; A780-A784 PolarHBondContact O-N 3.28Å; A781-A784 PolarHBondContact O-N 3.16Å; E782-A784 VanDerWaalsContact C-N 3.34Å; E782-A784 PolarHBondContact O-N 3.26Å; A784-L787 PolarHBondContact O-N 3.49Å; A784-E788 WeakPolarHBondContact O-CB 3.41Å; A784-E788 PolarHBondContact O-N 2.95Å
785	R	74	Confident	72.6	Confident	124 Å²	124	68.9 Å²	68.9	47%	0.468	38%	0.376	S	S	.	.	H	α-helix	trans	-65.1	-41.9	175.3	-74.7	175.3	-171.5	158.1	2.6	112.7	A781 E782 R783 L787 E788 Q789	A781-R785 WeakPolarHBondContact O-CG 3.2Å; A781-R785 PolarHBondContact O-N 3.27Å; E782-R785 PolarHBondContact O-N 3.4Å; E782-R785 IonicContact OE2-NH1 3.95Å; E782-R785 PolarHBondContact OE2-NH1 3.03Å; R783-R785 PolarHBondContact O-N 3.24Å; R785-L787 VanDerWaalsContact C-N 3.35Å; R785-E788 PolarHBondContact O-N 2.83Å; R785-Q789 WeakPolarHBondContact O-CB 3.32Å; R785-Q789 PolarHBondContact O-N 2.94Å
786	R	69.6	Low	71.2	Confident	116 Å²	116	75.2 Å²	75.2	44%	0.438	40%	0.402	S	S	.	.	H	α-helix	trans	-62	-44.6	175.8	-73.6	-179.4	-178.8	-174.6	-0.2	111	D76 E782 R783 Q789 A790	D76-R786 IonicContact OD2-NH1 2.66Å; E782-R786 WeakPolarHBondContact O-CG 3.44Å; E782-R786 PolarHBondContact O-N 3.36Å; R783-R786 PolarHBondContact O-N 2.84Å; R786-Q789 PolarHBondContact O-N 3.34Å; R786-A790 WeakPolarHBondContact O-CB 3.4Å; R786-A790 PolarHBondContact O-N 3.14Å
787	L	69.6	Low	69.6	Low	91 Å²	91	76 Å²	76	48%	0.476	40%	0.401	S	S	.	.	H	α-helix	trans	-61.2	-43.7	174.9	-73.2	168.5	0	0	0	111.6	R783 A784 R785 A790 K791	R783-L787 HydrophobicContact CG-CD1 4.24Å; R783-L787 WeakPolarHBondContact O-CG 3.26Å; R783-L787 PolarHBondContact O-N 2.59Å; A784-L787 PolarHBondContact O-N 3.49Å; R785-L787 VanDerWaalsContact C-N 3.35Å; L787-A790 WeakPolarHBondContact O-CB 3.27Å; L787-A790 PolarHBondContact O-N 3.39Å; L787-K791 WeakPolarHBondContact O-CG 3.38Å; L787-K791 PolarHBondContact O-N 3.26Å
788	E	72.1	Confident	68.3	Low	94 Å²	94	76 Å²	76	44%	0.439	39%	0.394	S	S	.	.	H	α-helix	trans	-64.8	-41.1	177.4	-169.1	61.8	-164.9	0	0	112.1	A784 R785 A790 K791 I792	A784-E788 WeakPolarHBondContact O-CB 3.41Å; A784-E788 PolarHBondContact O-N 2.95Å; R785-E788 PolarHBondContact O-N 2.83Å; E788-A790 VanDerWaalsContact C-N 3.34Å; E788-A790 PolarHBondContact O-N 2.84Å; E788-K791 WeakPolarHBondContact O-CB 3.47Å; E788-K791 PolarHBondContact O-N 3.14Å; E788-K791 IonicContact OE2-NZ 3.82Å; E788-I792 HydrophobicContact CG-CD1 4.4Å; E788-I792 WeakPolarHBondContact O-CG1 3.43Å; E788-I792 PolarHBondContact O-N 3.43Å
789	Q	66	Low	67	Low	137 Å²	137	78.2 Å²	78.2	64%	0.64	41%	0.414	S	S	*	.	H	α-helix	trans	-67.6	-35.8	176.5	-168.2	160.4	-11.7	0	0	111.9	R785 R786 I792 T793	R785-Q789 WeakPolarHBondContact O-CB 3.32Å; R785-Q789 PolarHBondContact O-N 2.94Å; R786-Q789 PolarHBondContact O-N 3.34Å; Q789-I792 PolarHBondContact O-N 3.46Å; Q789-T793 WeakPolarHBondContact O-CB 3.38Å; Q789-T793 PolarHBondContact O-N 2.92Å; Q789-T793 PolarHBondContact O-OG1 3.26Å
790	A	58.8	Low	65.7	Low	58 Å²	58	80.1 Å²	80.1	48%	0.479	43%	0.429	S	S	.	.	H	α-helix	trans	-63.1	-43.9	170.4	0	0	0	0	0	111.4	R786 L787 E788 I792 T793 L794	R786-A790 WeakPolarHBondContact O-CB 3.4Å; R786-A790 PolarHBondContact O-N 3.14Å; L787-A790 WeakPolarHBondContact O-CB 3.27Å; L787-A790 PolarHBondContact O-N 3.39Å; E788-A790 VanDerWaalsContact C-N 3.34Å; E788-A790 PolarHBondContact O-N 2.84Å; A790-I792 PolarHBondContact O-N 2.9Å; A790-T793 PolarHBondContact O-N 2.66Å; A790-L794 WeakPolarHBondContact O-CB 3.39Å; A790-L794 PolarHBondContact O-N 3.49Å
791	K	62.5	Low	64.4	Low	57 Å²	57	80.4 Å²	80.4	25%	0.248	43%	0.425	C	S	.	.	H	α-helix	trans	-60.1	-44.3	174.4	-71.5	174.4	-164.5	171.2	0	112.5	L787 E788 T793 L794 G795 F835	L787-K791 WeakPolarHBondContact O-CG 3.38Å; L787-K791 PolarHBondContact O-N 3.26Å; E788-K791 WeakPolarHBondContact O-CB 3.47Å; E788-K791 PolarHBondContact O-N 3.14Å; E788-K791 IonicContact OE2-NZ 3.82Å; K791-T793 VanDerWaalsContact C-N 3.31Å; K791-T793 PolarHBondContact O-N 3Å; K791-L794 PolarHBondContact O-N 3.47Å; K791-G795 PolarHBondContact O-N 2.89Å; K791-F835 PolarHBondContact NZ-O 3.5Å
792	I	64	Low	63.1	Low	91 Å²	91	82.5 Å²	82.5	47%	0.467	43%	0.43	S	S	.	.	H	α-helix	trans	-62.4	-41.6	176.2	-67.8	165.5	0	0	0	110.4	E788 Q789 A790 G795 K796	E788-I792 HydrophobicContact CG-CD1 4.4Å; E788-I792 WeakPolarHBondContact O-CG1 3.43Å; E788-I792 PolarHBondContact O-N 3.43Å; Q789-I792 PolarHBondContact O-N 3.46Å; A790-I792 PolarHBondContact O-N 2.9Å; I792-G795 PolarHBondContact O-N 2.67Å; I792-K796 WeakPolarHBondContact O-CG 3.42Å; I792-K796 PolarHBondContact O-N 2.83Å
793	T	57.5	Low	62.1	Low	52 Å²	52	87.3 Å²	87.3	32%	0.319	45%	0.453	S	S	.	.	H	α-helix	trans	-65.7	-44.5	178.9	-54.6	0	0	0	0	110.9	Q789 A790 K791 K796 H797	Q789-T793 WeakPolarHBondContact O-CB 3.38Å; Q789-T793 PolarHBondContact O-N 2.92Å; Q789-T793 PolarHBondContact O-OG1 3.26Å; A790-T793 PolarHBondContact O-N 2.66Å; K791-T793 VanDerWaalsContact C-N 3.31Å; K791-T793 PolarHBondContact O-N 3Å; T793-K796 PolarHBondContact O-N 2.87Å; T793-H797 PolarHBondContact O-N 2.96Å; T793-H797 VanDerWaalsContact O-N 3.13Å; T793-H797 PolarHBondContact O-ND1 3.21Å
794	L	59.2	Low	61	Low	77 Å²	77	85.6 Å²	85.6	40%	0.403	45%	0.453	S	S	.	.	H	α-helix	trans	-63	-42.7	174.9	-173.5	69	0	0	0	111.6	A790 K791 K796 H797 L798 V832	A790-L794 WeakPolarHBondContact O-CB 3.39Å; A790-L794 PolarHBondContact O-N 3.49Å; K791-L794 PolarHBondContact O-N 3.47Å; L794-K796 VanDerWaalsContact C-N 3.31Å; L794-K796 PolarHBondContact O-N 3.4Å; L794-H797 PolarHBondContact O-N 2.87Å; L794-L798 WeakPolarHBondContact O-CB 3.09Å; L794-L798 PolarHBondContact O-N 2.99Å; L794-V832 HydrophobicContact CD2-CG2 4.09Å
795	G	58.7	Low	59.8	Low	41 Å²	41	84.9 Å²	84.9	42%	0.423	45%	0.447	S	S	.	.	H	α-helix	trans	-62.1	-35.7	176.8	0	0	0	0	0	113.2	K791 I792 A799	K791-G795 PolarHBondContact O-N 2.89Å; I792-G795 PolarHBondContact O-N 2.67Å; G795-A799 PolarHBondContact O-N 3.46Å
796	K	58.2	Low	58.8	Low	144 Å²	144	84.6 Å²	84.6	63%	0.626	45%	0.452	S	S	*	.	H	α-helix	trans	-66.1	-44.8	172	-74.9	178.8	-179.9	179.8	0	112.2	I792 T793 L794 L798 A799 T800	I792-K796 WeakPolarHBondContact O-CG 3.42Å; I792-K796 PolarHBondContact O-N 2.83Å; T793-K796 PolarHBondContact O-N 2.87Å; L794-K796 VanDerWaalsContact C-N 3.31Å; L794-K796 PolarHBondContact O-N 3.4Å; K796-L798 VanDerWaalsContact C-N 3.32Å; K796-L798 PolarHBondContact O-N 3.29Å; K796-A799 WeakPolarHBondContact O-CB 3.27Å; K796-A799 PolarHBondContact O-N 3.36Å; K796-T800 PolarHBondContact O-N 3.38Å; K796-T800 VanDerWaalsContact O-N 3.1Å; K796-T800 PolarHBondContact O-OG1 2.9Å; K796-T800 VanDerWaalsContact O-OG1 3.04Å
797	H	52	Low	57.8	Low	88 Å²	88	85.2 Å²	85.2	41%	0.407	46%	0.46	S	S	.	.	H	α-helix	trans	-64.2	-39.4	176.6	-73.6	75.8	0	0	0	111.2	T793 L794 A799 T800 V801	T793-H797 PolarHBondContact O-N 2.96Å; T793-H797 VanDerWaalsContact O-N 3.13Å; T793-H797 PolarHBondContact O-ND1 3.21Å; L794-H797 PolarHBondContact O-N 2.87Å; H797-A799 VanDerWaalsContact C-N 3.29Å; H797-A799 PolarHBondContact O-N 2.83Å; H797-T800 WeakPolarHBondContact O-CB 3.47Å; H797-T800 PolarHBondContact O-N 2.9Å; H797-T800 VanDerWaalsContact O-N 3.13Å; H797-V801 WeakPolarHBondContact O-CG2 3.43Å; H797-V801 PolarHBondContact O-N 3.37Å
798	L	58.5	Low	56.9	Low	52 Å²	52	84 Å²	84	27%	0.272	46%	0.456	S	S	.	.	H	α-helix	trans	-61.8	-38.4	175	-169.2	72	0	0	0	111.5	L794 K796 T800 V801 N802 I828	L794-L798 WeakPolarHBondContact O-CB 3.09Å; L794-L798 PolarHBondContact O-N 2.99Å; K796-L798 VanDerWaalsContact C-N 3.32Å; K796-L798 PolarHBondContact O-N 3.29Å; L798-T800 VanDerWaalsContact C-N 3.35Å; L798-V801 PolarHBondContact O-N 3.1Å; L798-N802 WeakPolarHBondContact O-CB 3.36Å; L798-N802 PolarHBondContact O-N 3.4Å; L798-I828 HydrophobicContact CD1-CG2 4.26Å
799	A	56.9	Low	55.7	Low	59 Å²	59	84.5 Å²	84.5	49%	0.488	46%	0.457	S	S	.	.	H	α-helix	trans	-61.5	-43.3	173.3	0	0	0	0	0	111.5	G795 K796 H797 N802 E803	G795-A799 PolarHBondContact O-N 3.46Å; K796-A799 WeakPolarHBondContact O-CB 3.27Å; K796-A799 PolarHBondContact O-N 3.36Å; H797-A799 VanDerWaalsContact C-N 3.29Å; H797-A799 PolarHBondContact O-N 2.83Å; A799-N802 PolarHBondContact O-N 2.8Å; A799-E803 PolarHBondContact O-N 3.13Å
800	T	53.4	Low	55	Low	85 Å²	85	86.7 Å²	86.7	52%	0.521	47%	0.467	S	S	.	.	H	α-helix	trans	-61.8	-43.9	174.9	-42.7	0	0	0	0	112.1	K796 H797 L798 N802 E803 L804	K796-T800 PolarHBondContact O-N 3.38Å; K796-T800 VanDerWaalsContact O-N 3.1Å; K796-T800 PolarHBondContact O-OG1 2.9Å; K796-T800 VanDerWaalsContact O-OG1 3.04Å; H797-T800 WeakPolarHBondContact O-CB 3.47Å; H797-T800 PolarHBondContact O-N 2.9Å; H797-T800 VanDerWaalsContact O-N 3.13Å; L798-T800 VanDerWaalsContact C-N 3.35Å; T800-N802 VanDerWaalsContact C-N 3.31Å; T800-N802 PolarHBondContact O-N 3.34Å; T800-E803 WeakPolarHBondContact O-CB 3.4Å; T800-E803 PolarHBondContact O-N 3.09Å; T800-L804 PolarHBondContact O-N 3.01Å
801	V	53.9	Low	54.4	Low	65 Å²	65	92.6 Å²	92.6	39%	0.394	49%	0.485	S	S	.	.	H	α-helix	trans	-64	-37.7	176.4	173.1	0	0	0	0	111.2	H797 L798 E803 L804 A805	H797-V801 WeakPolarHBondContact O-CG2 3.43Å; H797-V801 PolarHBondContact O-N 3.37Å; L798-V801 PolarHBondContact O-N 3.1Å; V801-E803 VanDerWaalsContact C-N 3.34Å; V801-L804 PolarHBondContact O-N 3.37Å; V801-A805 WeakPolarHBondContact O-CB 3.27Å; V801-A805 PolarHBondContact O-N 2.74Å
802	N	54	Low	53.6	Low	85 Å²	85	92 Å²	92	46%	0.455	49%	0.49	S	S	.	.	H	α-helix	trans	-70.3	-32.3	178.1	-142.7	28.3	0	0	0	111.9	L798 A799 T800 M806	L798-N802 WeakPolarHBondContact O-CB 3.36Å; L798-N802 PolarHBondContact O-N 3.4Å; A799-N802 PolarHBondContact O-N 2.8Å; T800-N802 VanDerWaalsContact C-N 3.31Å; T800-N802 PolarHBondContact O-N 3.34Å; N802-M806 WeakPolarHBondContact O-CB 3.17Å; N802-M806 WeakPolarHBondContact O-CG 3.5Å; N802-M806 PolarHBondContact O-N 3.23Å
803	E	54.6	Low	52.9	Low	140 Å²	140	99.5 Å²	99.5	65%	0.654	51%	0.513	S	S	*	.	H	α-helix	trans	-64.1	-47.1	170.4	-128.7	169	-169.4	0	0	110.6	A799 T800 V801 A805 M806 E807	A799-E803 PolarHBondContact O-N 3.13Å; T800-E803 WeakPolarHBondContact O-CB 3.4Å; T800-E803 PolarHBondContact O-N 3.09Å; V801-E803 VanDerWaalsContact C-N 3.34Å; E803-A805 PolarHBondContact O-N 3.47Å; E803-M806 VanDerWaalsContact O-CB 3.28Å; E803-M806 WeakPolarHBondContact O-CB 3.09Å; E803-M806 PolarHBondContact O-N 3.27Å; E803-M806 VanDerWaalsContact O-N 3.16Å; E803-E807 PolarHBondContact O-N 3.34Å; E803-E807 VanDerWaalsContact O-N 3.13Å
804	L	50.9	Low	52.6	Low	92 Å²	92	103.3 Å²	103.3	48%	0.482	53%	0.531	S	S	.	.	H	α-helix	trans	-64.1	-40	176.8	-149.7	78.4	0	0	0	112.1	T800 V801 M806 E807 V808	T800-L804 PolarHBondContact O-N 3.01Å; V801-L804 PolarHBondContact O-N 3.37Å; L804-M806 VanDerWaalsContact C-N 3.28Å; L804-M806 PolarHBondContact O-N 2.85Å; L804-E807 PolarHBondContact O-N 3.03Å; L804-V808 WeakPolarHBondContact O-CG2 3.15Å; L804-V808 PolarHBondContact O-N 3.41Å
805	A	52.6	Low	52.4	Low	35 Å²	35	102.3 Å²	102.3	29%	0.289	54%	0.54	S	S	.	.	H	α-helix	trans	-69.3	-25.7	176.3	0	0	0	0	0	113	V801 E803 K809	V801-A805 WeakPolarHBondContact O-CB 3.27Å; V801-A805 PolarHBondContact O-N 2.74Å; E803-A805 PolarHBondContact O-N 3.47Å; A805-K809 PolarHBondContact O-N 3.31Å
806	M	52.2	Low	52.3	Low	117 Å²	117	108.3 Å²	108.3	58%	0.576	56%	0.557	S	S	*	*	H	α-helix	trans	-69.8	-38.7	170.8	-93	-75.6	-39.1	0	0	111.2	N802 E803 L804 K809	N802-M806 WeakPolarHBondContact O-CB 3.17Å; N802-M806 WeakPolarHBondContact O-CG 3.5Å; N802-M806 PolarHBondContact O-N 3.23Å; E803-M806 VanDerWaalsContact O-CB 3.28Å; E803-M806 WeakPolarHBondContact O-CB 3.09Å; E803-M806 PolarHBondContact O-N 3.27Å; E803-M806 VanDerWaalsContact O-N 3.16Å; L804-M806 VanDerWaalsContact C-N 3.28Å; L804-M806 PolarHBondContact O-N 2.85Å; M806-K809 WeakPolarHBondContact O-CB 3.45Å; M806-K809 PolarHBondContact O-N 2.98Å
807	E	47.8	Very low	51.9	Low	130 Å²	130	108.1 Å²	108.1	61%	0.607	56%	0.556	S	S	*	*	H	α-helix	trans	-65.9	-45	174.1	-71.2	179.4	160.4	0	0	111.5	E803 L804 K809 E810	E803-E807 PolarHBondContact O-N 3.34Å; E803-E807 VanDerWaalsContact O-N 3.13Å; L804-E807 PolarHBondContact O-N 3.03Å; E807-K809 PolarHBondContact O-N 3.13Å; E807-E810 PolarHBondContact O-N 2.74Å
808	V	51.4	Low	51.8	Low	65 Å²	65	107.6 Å²	107.6	39%	0.394	55%	0.554	S	S	.	*	H	α-helix	trans	-62.1	-27.7	177.5	176.3	0	0	0	0	112.5	L804 E810 E811 A812	L804-V808 WeakPolarHBondContact O-CG2 3.15Å; L804-V808 PolarHBondContact O-N 3.41Å; V808-E810 VanDerWaalsContact C-N 3.26Å; V808-E810 PolarHBondContact O-N 3.11Å; V808-E811 PolarHBondContact O-N 3.11Å; V808-A812 HydrophobicContact CG1-CB 4.46Å; V808-A812 PolarHBondContact O-N 2.99Å; V808-A812 VanDerWaalsContact O-N 3.11Å
809	K	47.2	Very low	51.7	Low	105 Å²	105	113.1 Å²	113.1	46%	0.457	58%	0.576	S	S	.	*	H	α-helix	trans	-65.7	-25.1	175.8	-98.6	-177.3	-176.9	169.3	0	114	A805 M806 E807 E811	A805-K809 PolarHBondContact O-N 3.31Å; M806-K809 WeakPolarHBondContact O-CB 3.45Å; M806-K809 PolarHBondContact O-N 2.98Å; E807-K809 PolarHBondContact O-N 3.13Å; K809-E811 VanDerWaalsContact C-N 3.35Å
810	E	50.6	Low	51.5	Low	182 Å²	182	117.3 Å²	117.3	85%	0.85	59%	0.585	S	S	*	*	H	α-helix	trans	-77.2	-23	176.6	-90.8	-174.1	154.3	0	0	112.3	E807 V808	E807-E810 PolarHBondContact O-N 2.74Å; V808-E810 VanDerWaalsContact C-N 3.26Å; V808-E810 PolarHBondContact O-N 3.11Å
811	E	46.1	Very low	51.3	Low	183 Å²	183	115.1 Å²	115.1	86%	0.855	58%	0.576	S	S	*	*	H	α-helix	trans	-106.4	-22.9	-175.6	-68.2	-170.8	157.3	0	0	115.2	V808 K809	V808-E811 PolarHBondContact O-N 3.11Å; K809-E811 VanDerWaalsContact C-N 3.35Å
812	A	45.8	Very low	51.1	Low	43 Å²	43	118.2 Å²	118.2	36%	0.355	58%	0.584	S	S	.	*			trans	-93.5	114	-176.4	0	0	0	0	0	113.8	V808	V808-A812 HydrophobicContact CG1-CB 4.46Å; V808-A812 PolarHBondContact O-N 2.99Å; V808-A812 VanDerWaalsContact O-N 3.11Å
813	R	49.4	Very low	51.3	Low	249 Å²	249	116.3 Å²	116.3	94%	0.94	58%	0.58	S	S	*	*			trans	-88	-0.5	-176.6	-148.7	178.8	-84.7	-171.8	-3.3	114.9
814	D	52.5	Low	51.2	Low	132 Å²	132	112 Å²	112	71%	0.706	57%	0.568	S	S	*	*			trans	-99.7	121.2	-178.6	-80	-32.7	0	0	0	113.8	E816	D814-E816 VanDerWaalsContact C-N 3.33Å; D814-E816 PolarHBondContact O-N 3.15Å
815	G	54.9	Low	51.1	Low	57 Å²	57	109.8 Å²	109.8	59%	0.588	56%	0.556	S	S	*	*	H	α-helix	trans	-74.1	-13.8	-170.5	0	0	0	0	0	116
816	E	55	Low	51.2	Low	167 Å²	167	114.6 Å²	114.6	78%	0.78	57%	0.571	S	S	*	*	H	α-helix	trans	-81.8	-41.8	-174.9	-147.3	158.5	-150.8	0	0	111.8	D814 Q818 K819	D814-E816 VanDerWaalsContact C-N 3.33Å; D814-E816 PolarHBondContact O-N 3.15Å; E816-Q818 VanDerWaalsContact C-N 3.28Å; E816-Q818 PolarHBondContact O-N 2.81Å; E816-K819 WeakPolarHBondContact O-CB 3.36Å; E816-K819 PolarHBondContact O-N 3.3Å
817	F	50.6	Low	51.3	Low	139 Å²	139	118.2 Å²	118.2	61%	0.61	58%	0.578	S	S	*	*	H	α-helix	trans	-60.5	-35.9	174.3	-166.4	-98.1	0	0	0	112.4	K819 E820 A821	F817-K819 PolarHBondContact O-N 2.73Å; F817-E820 PolarHBondContact O-N 3.11Å; F817-A821 WeakPolarHBondContact O-CB 3.35Å; F817-A821 PolarHBondContact O-N 3.1Å; F817-A821 VanDerWaalsContact O-N 3.09Å
818	Q	49.9	Very low	51.3	Low	78 Å²	78	116 Å²	116	36%	0.364	57%	0.57	S	S	.	*	H	α-helix	trans	-61.4	-30.6	175.5	-75.2	-162.4	-7.2	0	0	113.4	E816 K822	E816-Q818 VanDerWaalsContact C-N 3.28Å; E816-Q818 PolarHBondContact O-N 2.81Å; Q818-K822 WeakPolarHBondContact O-CB 3.46Å; Q818-K822 PolarHBondContact O-N 3.01Å
819	K	56.5	Low	51.1	Low	167 Å²	167	117.8 Å²	117.8	73%	0.726	58%	0.575	S	S	*	*	H	α-helix	trans	-75.7	-44.1	-176.5	-125.6	179.4	-176.1	177.7	0	111	E816 F817 A823	E816-K819 WeakPolarHBondContact O-CB 3.36Å; E816-K819 PolarHBondContact O-N 3.3Å; F817-K819 PolarHBondContact O-N 2.73Å; K819-A823 WeakPolarHBondContact O-CB 3.39Å; K819-A823 PolarHBondContact O-N 2.85Å; K819-A823 VanDerWaalsContact O-N 3.1Å
820	E	52.9	Low	51.1	Low	147 Å²	147	117.3 Å²	117.3	69%	0.687	58%	0.578	S	S	*	*	H	α-helix	trans	-68.6	-43.9	177	-78.7	-166.2	142.6	0	0	112.3	F817 K822 A823 A824	F817-E820 PolarHBondContact O-N 3.11Å; E820-K822 VanDerWaalsContact C-N 3.33Å; E820-K822 PolarHBondContact O-N 3.23Å; E820-A823 PolarHBondContact O-N 3.28Å; E820-A824 PolarHBondContact O-N 3.43Å
821	A	49.2	Very low	51	Low	39 Å²	39	111.6 Å²	111.6	32%	0.322	56%	0.558	S	S	.	*	H	α-helix	trans	-57.9	-44.9	176.5	0	0	0	0	0	111.6	F817 A823 A824 I825	F817-A821 WeakPolarHBondContact O-CB 3.35Å; F817-A821 PolarHBondContact O-N 3.1Å; F817-A821 VanDerWaalsContact O-N 3.09Å; A821-A823 VanDerWaalsContact C-N 3.35Å; A821-A823 PolarHBondContact O-N 3.27Å; A821-A824 PolarHBondContact O-N 2.96Å; A821-I825 WeakPolarHBondContact O-CB 3.28Å; A821-I825 WeakPolarHBondContact O-CD1 3.48Å; A821-I825 WeakPolarHBondContact O-CG1 3.2Å; A821-I825 PolarHBondContact O-N 3.05Å
822	K	49.6	Very low	50.9	Low	131 Å²	131	105.1 Å²	105.1	57%	0.57	53%	0.531	S	S	*	.	H	α-helix	trans	-61.3	-40.3	174	-93	-179.7	176.4	170.5	0	112.8	Q818 E820 K826	Q818-K822 WeakPolarHBondContact O-CB 3.46Å; Q818-K822 PolarHBondContact O-N 3.01Å; E820-K822 VanDerWaalsContact C-N 3.33Å; E820-K822 PolarHBondContact O-N 3.23Å; K822-K826 VanDerWaalsContact O-CB 3.29Å; K822-K826 WeakPolarHBondContact O-CB 3.49Å; K822-K826 PolarHBondContact O-N 3.17Å
823	A	58.6	Low	50.8	Low	45 Å²	45	105.5 Å²	105.5	37%	0.372	53%	0.533	S	S	.	.	H	α-helix	trans	-68	-42	-179.4	0	0	0	0	0	111.8	K819 E820 A821 K826 R827	K819-A823 WeakPolarHBondContact O-CB 3.39Å; K819-A823 PolarHBondContact O-N 2.85Å; K819-A823 VanDerWaalsContact O-N 3.1Å; E820-A823 PolarHBondContact O-N 3.28Å; A821-A823 VanDerWaalsContact C-N 3.35Å; A821-A823 PolarHBondContact O-N 3.27Å; A823-K826 PolarHBondContact O-N 2.96Å; A823-R827 WeakPolarHBondContact O-CG 3.47Å; A823-R827 PolarHBondContact O-N 3.27Å
824	A	50.6	Low	50.5	Low	49 Å²	49	100.5 Å²	100.5	41%	0.405	53%	0.525	S	S	.	.	H	α-helix	trans	-62.2	-49	175.4	0	0	0	0	0	111.3	E820 A821 K826 R827 I828	E820-A824 PolarHBondContact O-N 3.43Å; A821-A824 PolarHBondContact O-N 2.96Å; A824-K826 VanDerWaalsContact C-N 3.31Å; A824-K826 PolarHBondContact O-N 2.88Å; A824-R827 PolarHBondContact O-N 3.12Å; A824-R827 VanDerWaalsContact O-N 3.17Å; A824-I828 WeakPolarHBondContact O-CG1 3.32Å; A824-I828 PolarHBondContact O-N 2.86Å
825	I	50.8	Low	49.9	Very low	45 Å²	45	101.3 Å²	101.3	23%	0.231	52%	0.522	C	S	.	.	H	α-helix	trans	-58.8	-42.8	176.5	-66.9	165.8	0	0	0	110.9	A821 I828 M829	A821-I825 WeakPolarHBondContact O-CB 3.28Å; A821-I825 WeakPolarHBondContact O-CD1 3.48Å; A821-I825 WeakPolarHBondContact O-CG1 3.2Å; A821-I825 PolarHBondContact O-N 3.05Å; I825-I828 PolarHBondContact O-N 3.25Å; I825-M829 WeakPolarHBondContact O-CB 3.46Å; I825-M829 PolarHBondContact O-N 3.32Å
826	K	54	Low	49.1	Very low	137 Å²	137	102.9 Å²	102.9	60%	0.596	52%	0.52	S	S	*	.	H	α-helix	trans	-66.6	-36.7	178.7	-169	174.9	-176.7	179.3	0	112.6	K822 A823 A824 M829 N830	K822-K826 VanDerWaalsContact O-CB 3.29Å; K822-K826 WeakPolarHBondContact O-CB 3.49Å; K822-K826 PolarHBondContact O-N 3.17Å; A823-K826 PolarHBondContact O-N 2.96Å; A824-K826 VanDerWaalsContact C-N 3.31Å; A824-K826 PolarHBondContact O-N 2.88Å; K826-M829 PolarHBondContact O-N 2.93Å; K826-N830 WeakPolarHBondContact O-CB 3.4Å; K826-N830 VanDerWaalsContact O-CG 3.27Å; K826-N830 PolarHBondContact O-N 3.03Å
827	R	53.1	Low	48.1	Very low	192 Å²	192	104 Å²	104	73%	0.725	52%	0.522	S	S	*	.	H	α-helix	trans	-64.2	-43.6	174.2	-77.7	-177.2	-168.1	155.2	4.2	111.5	A823 A824 N830 S831	A823-R827 WeakPolarHBondContact O-CG 3.47Å; A823-R827 PolarHBondContact O-N 3.27Å; A824-R827 PolarHBondContact O-N 3.12Å; A824-R827 VanDerWaalsContact O-N 3.17Å; R827-N830 PolarHBondContact O-N 3.46Å; R827-S831 PolarHBondContact O-N 2.96Å; R827-S831 PolarHBondContact O-OG 2.87Å
828	I	48.9	Very low	47.4	Very low	84 Å²	84	105.4 Å²	105.4	43%	0.431	53%	0.531	S	S	.	.	H	α-helix	trans	-63.5	-42.5	176.2	-63.7	165.8	0	0	0	110.4	L798 A824 I825 N830 S831 V832	L798-I828 HydrophobicContact CD1-CG2 4.26Å; A824-I828 WeakPolarHBondContact O-CG1 3.32Å; A824-I828 PolarHBondContact O-N 2.86Å; I825-I828 PolarHBondContact O-N 3.25Å; I828-N830 VanDerWaalsContact C-N 3.34Å; I828-N830 PolarHBondContact O-N 3.07Å; I828-S831 PolarHBondContact O-N 3.32Å; I828-S831 PolarHBondContact O-OG 3.29Å; I828-V832 VanDerWaalsContact O-CG2 3.27Å; I828-V832 WeakPolarHBondContact O-CG2 3.45Å; I828-V832 PolarHBondContact O-N 3.2Å; I828-V832 VanDerWaalsContact O-N 3.12Å
829	M	46.8	Very low	46.5	Very low	102 Å²	102	111.5 Å²	111.5	50%	0.502	56%	0.557	S	S	.	*	H	α-helix	trans	-64.3	-39.5	177.8	-163.3	-178.3	-77.6	0	0	112	I825 K826 A833	I825-M829 WeakPolarHBondContact O-CB 3.46Å; I825-M829 PolarHBondContact O-N 3.32Å; K826-M829 PolarHBondContact O-N 2.93Å; M829-A833 VanDerWaalsContact O-CB 3.32Å; M829-A833 WeakPolarHBondContact O-CB 3.38Å; M829-A833 PolarHBondContact O-N 3.14Å
830	N	47.2	Very low	45.3	Very low	96 Å²	96	109.3 Å²	109.3	51%	0.513	56%	0.557	S	S	.	*	H	α-helix	trans	-69.7	-39.5	178.5	-76.4	-10	0	0	0	112.9	K826 R827 I828 A833 L834	K826-N830 WeakPolarHBondContact O-CB 3.4Å; K826-N830 VanDerWaalsContact O-CG 3.27Å; K826-N830 PolarHBondContact O-N 3.03Å; R827-N830 PolarHBondContact O-N 3.46Å; I828-N830 VanDerWaalsContact C-N 3.34Å; I828-N830 PolarHBondContact O-N 3.07Å; N830-A833 PolarHBondContact O-N 3.07Å; N830-L834 PolarHBondContact O-N 3.23Å
831	S	47.7	Very low	44.4	Very low	62 Å²	62	108.2 Å²	108.2	43%	0.434	56%	0.563	S	S	.	*	H	α-helix	trans	-64.6	-42.8	176	61.7	0	0	0	0	110.6	R827 I828 L834 F835	R827-S831 PolarHBondContact O-N 2.96Å; R827-S831 PolarHBondContact O-OG 2.87Å; I828-S831 PolarHBondContact O-N 3.32Å; I828-S831 PolarHBondContact O-OG 3.29Å; S831-L834 PolarHBondContact O-N 3.37Å; S831-F835 WeakPolarHBondContact O-CD2 3.1Å
832	V	45.4	Very low	43.4	Very low	47 Å²	47	116 Å²	116	29%	0.285	59%	0.589	S	S	.	*	H	α-helix	trans	-65.4	-42.5	176.6	176.5	0	0	0	0	111.8	L794 I828 L834 F835 T836	L794-V832 HydrophobicContact CD2-CG2 4.09Å; I828-V832 VanDerWaalsContact O-CG2 3.27Å; I828-V832 WeakPolarHBondContact O-CG2 3.45Å; I828-V832 PolarHBondContact O-N 3.2Å; I828-V832 VanDerWaalsContact O-N 3.12Å; V832-L834 VanDerWaalsContact C-N 3.26Å; V832-L834 PolarHBondContact O-N 3.01Å; V832-F835 PolarHBondContact O-N 2.85Å; V832-F835 VanDerWaalsContact O-N 3.08Å; V832-T836 PolarHBondContact O-N 3.38Å
833	A	43.7	Very low	42.5	Very low	50 Å²	50	120.8 Å²	120.8	41%	0.413	60%	0.604	S	S	.	*	H	α-helix	trans	-60.8	-35.1	178.6	0	0	0	0	0	112.4	M829 N830 F835 T836	M829-A833 VanDerWaalsContact O-CB 3.32Å; M829-A833 WeakPolarHBondContact O-CB 3.38Å; M829-A833 PolarHBondContact O-N 3.14Å; N830-A833 PolarHBondContact O-N 3.07Å; A833-F835 VanDerWaalsContact C-N 3.26Å; A833-F835 PolarHBondContact O-N 3.36Å; A833-T836 PolarHBondContact O-N 3Å; A833-T836 PolarHBondContact O-OG1 3.26Å
834	L	43.1	Very low	41.3	Very low	145 Å²	145	123.5 Å²	123.5	76%	0.759	62%	0.618	S	S	*	*	H	α-helix	trans	-61.9	-34.4	176.3	-141.8	90.1	0	0	0	112.1	N830 S831 V832 T836	N830-L834 PolarHBondContact O-N 3.23Å; S831-L834 PolarHBondContact O-N 3.37Å; V832-L834 VanDerWaalsContact C-N 3.26Å; V832-L834 PolarHBondContact O-N 3.01Å; L834-T836 PolarHBondContact O-N 2.87Å
835	F	38.5	Very low	40.5	Very low	148 Å²	148	127.3 Å²	127.3	65%	0.649	64%	0.636	S	S	*	*	H	α-helix	trans	-80.9	-8.1	179.1	-73	-74.3	0	0	0	114.7	K791 S831 V832 A833 K837	K791-F835 PolarHBondContact NZ-O 3.5Å; S831-F835 WeakPolarHBondContact O-CD2 3.1Å; V832-F835 PolarHBondContact O-N 2.85Å; V832-F835 VanDerWaalsContact O-N 3.08Å; A833-F835 VanDerWaalsContact C-N 3.26Å; A833-F835 PolarHBondContact O-N 3.36Å; F835-K837 VanDerWaalsContact C-N 3.33Å
836	T	38.6	Very low	40	Very low	90 Å²	90	131 Å²	131	55%	0.552	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	-1.1	-179.6	60.1	0	0	0	0	114.2	V832 A833 L834 E838	V832-T836 PolarHBondContact O-N 3.38Å; A833-T836 PolarHBondContact O-N 3Å; A833-T836 PolarHBondContact O-OG1 3.26Å; L834-T836 PolarHBondContact O-N 2.87Å; T836-E838 PolarHBondContact O-N 3.18Å
837	K	34.3	Very low	39.4	Very low	190 Å²	190	129.3 Å²	129.3	83%	0.826	67%	0.666	S	S	*	*			trans	-83.1	8.8	-171.6	-104.4	-175.8	-179	178.3	0	117	F835	F835-K837 VanDerWaalsContact C-N 3.33Å
838	E	37	Very low	39.1	Very low	170 Å²	170	129.6 Å²	129.6	79%	0.794	67%	0.673	S	S	*	*			trans	-91.1	114.8	173.1	-77.6	-171.1	156	0	0	112.2	T836 T840	T836-E838 PolarHBondContact O-N 3.18Å; E838-T840 PolarHBondContact O-N 3.13Å
839	K	30.7	Very low	39.3	Very low	206 Å²	206	135.9 Å²	135.9	90%	0.896	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-67.3	120.2	178	-76.7	177.6	176.7	172	0	110.3
840	T	31.6	Very low	40.3	Very low	120 Å²	120	133.8 Å²	133.8	74%	0.736	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-61.1	132.9	164.6	39.3	0	0	0	0	110.5	E838 K842	E838-T840 PolarHBondContact O-N 3.13Å; T840-K842 PolarHBondContact O-N 3.36Å
841	P	33.1	Very low	41.4	Very low	125 Å²	125	136.4 Å²	136.4	81%	0.812	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-65.5	118.5	175.9	22.3	-29.1	0	0	0	110	R843	P841-R843 PolarHBondContact O-N 3.31Å
842	K	28.4	Very low	42.8	Very low	201 Å²	201	135.8 Å²	135.8	87%	0.874	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-59.7	125.5	176.5	-68.5	-177.9	177.6	-178.5	0	109.4	T840 P844	T840-K842 PolarHBondContact O-N 3.36Å; K842-P844 WeakPolarHBondContact O-CD 3.43Å
843	R	30.5	Very low	44.3	Very low	232 Å²	232	133.9 Å²	133.9	88%	0.875	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-57.3	122.1	169.7	-88.5	179	166.7	171.2	-3.6	109	P841 V845	P841-R843 PolarHBondContact O-N 3.31Å; R843-V845 PolarHBondContact O-N 2.8Å
844	P	32.9	Very low	46	Very low	103 Å²	103	136.9 Å²	136.9	67%	0.669	69%	0.69	S	S	*	*			trans	-68.2	102.8	174.6	25.1	-29.7	0	0	0	109.1	P765 K842	P765-P844 HydrophobicContact CG-CG 4.32Å; K842-P844 WeakPolarHBondContact O-CD 3.43Å
845	V	34.3	Very low	47.8	Very low	128 Å²	128	131.8 Å²	131.8	78%	0.776	67%	0.673	S	S	*	*			trans	-84.4	104.4	162.7	176.7	0	0	0	0	105.8	R843	R843-V845 PolarHBondContact O-N 2.8Å
846	T	39.4	Very low	50	Low	123 Å²	123	125.2 Å²	125.2	76%	0.755	64%	0.644	S	S	*	*			trans	-173	126.5	154.9	32.1	0	0	0	0	114.2
847	S	43	Very low	52.1	Low	102 Å²	102	122.8 Å²	122.8	71%	0.713	63%	0.631	S	S	*	*			trans	71.3	120.5	132.3	90.1	0	0	0	0	120.1
848	K	46.5	Very low	54.5	Low	198 Å²	198	118.3 Å²	118.3	86%	0.861	62%	0.615	S	S	*	*			trans	43.6	103.4	140	-64	-177.5	179.5	178.1	0	115.5	S850	K848-S850 VanDerWaalsContact C-N 3.35Å; K848-S850 PolarHBondContact O-N 3.48Å
849	R	52.1	Low	56.8	Low	216 Å²	216	111.2 Å²	111.2	82%	0.815	59%	0.585	S	S	*	*			trans	-35.6	90.6	166.9	-73.5	176.7	172.1	170.1	-2.8	112.1	K854	R849-K854 HydrophobicContact CB-CG 4.14Å
850	S	67.5	Low	59.5	Low	57 Å²	57	101.8 Å²	101.8	40%	0.399	55%	0.545	S	S	.	.			trans	-52.4	149	167.5	163.6	0	0	0	0	109.3	K848 A852 A853 K854	K848-S850 VanDerWaalsContact C-N 3.35Å; K848-S850 PolarHBondContact O-N 3.48Å; S850-A852 PolarHBondContact O-N 3.38Å; S850-A852 PolarHBondContact OG-N 3.13Å; S850-A852 VanDerWaalsContact OG-N 3.13Å; S850-A853 WeakPolarHBondContact O-CB 3.35Å; S850-A853 PolarHBondContact O-N 2.61Å; S850-K854 PolarHBondContact O-N 3.48Å
851	I	72.2	Confident	62.2	Low	151 Å²	151	97.5 Å²	97.5	77%	0.774	52%	0.517	S	S	*	.	H	α-helix	trans	-53.4	-37.9	172.3	-63.1	171.8	0	0	0	109.8	K854 G855	I851-K854 PolarHBondContact O-N 3.18Å; I851-G855 PolarHBondContact O-N 2.94Å
852	A	76.1	Confident	64.8	Low	49 Å²	49	93.4 Å²	93.4	41%	0.405	49%	0.488	S	S	.	.	H	α-helix	trans	-64.6	-41.7	176.7	0	0	0	0	0	112.7	Y764 S850 G855 L856	Y764-A852 VanDerWaalsContact OH-CB 3.28Å; Y764-A852 WeakPolarHBondContact OH-CB 3.43Å; S850-A852 PolarHBondContact O-N 3.38Å; S850-A852 PolarHBondContact OG-N 3.13Å; S850-A852 VanDerWaalsContact OG-N 3.13Å; A852-G855 PolarHBondContact O-N 3.42Å; A852-L856 WeakPolarHBondContact O-CB 3.45Å; A852-L856 PolarHBondContact O-N 3.43Å
853	A	76.6	Confident	67.8	Low	7 Å²	7	84.4 Å²	84.4	6%	0.058	45%	0.448	C	S	.	.	H	α-helix	trans	-65.4	-38.9	175.6	0	0	0	0	0	112.2	F766 S850 S857	F766-A853 HydrophobicContact CE2-CB 4.49Å; F766-A853 HydrophobicContact CZ-CB 3.78Å; S850-A853 WeakPolarHBondContact O-CB 3.35Å; S850-A853 PolarHBondContact O-N 2.61Å; A853-S857 WeakPolarHBondContact O-CB 3.21Å; A853-S857 PolarHBondContact O-N 3.33Å
854	K	79.7	Confident	70.6	Confident	114 Å²	114	78.7 Å²	78.7	50%	0.496	43%	0.427	S	S	.	.	H	α-helix	trans	-64.1	-44.3	172.5	-70	-178.2	-178.2	176.7	0	111	R849 S850 I851 S857 I858	R849-K854 HydrophobicContact CB-CG 4.14Å; S850-K854 PolarHBondContact O-N 3.48Å; I851-K854 PolarHBondContact O-N 3.18Å; K854-S857 PolarHBondContact O-N 3.11Å; K854-I858 VanDerWaalsContact O-CG1 3.32Å; K854-I858 WeakPolarHBondContact O-CG1 3.3Å; K854-I858 PolarHBondContact O-N 3.44Å
855	G	81.7	Confident	73.2	Confident	38 Å²	38	80 Å²	80	39%	0.392	42%	0.419	S	S	.	.	H	α-helix	trans	-58.3	-48.8	175.7	0	0	0	0	0	112.2	I851 A852 S857 I858 A859	I851-G855 PolarHBondContact O-N 2.94Å; A852-G855 PolarHBondContact O-N 3.42Å; G855-S857 VanDerWaalsContact C-N 3.35Å; G855-S857 PolarHBondContact O-N 3.16Å; G855-I858 PolarHBondContact O-N 3.31Å; G855-I858 VanDerWaalsContact O-N 3.12Å; G855-A859 PolarHBondContact O-N 3.29Å
856	L	83	Confident	75.8	Confident	9 Å²	9	80.6 Å²	80.6	5%	0.047	41%	0.41	C	S	.	.	H	α-helix	trans	-59.2	-45	175	179.5	60.1	0	0	0	111.6	F757 L760 L761 Y764 F767 A852 I858 A859 V860	F757-L856 HydrophobicContact CB-CD1 4.27Å; F757-L856 HydrophobicContact CD1-CD1 3.7Å; F757-L856 HydrophobicContact CE1-CD1 4.45Å; F757-L856 HydrophobicContact CG-CD1 4.22Å; L760-L856 HydrophobicContact CB-CD1 3.83Å; L760-L856 HydrophobicContact CB-CD2 3.99Å; L760-L856 HydrophobicContact CD1-CD1 4.03Å; L761-L856 HydrophobicContact CD2-CD2 4.28Å; Y764-L856 HydrophobicContact CD2-CD2 3.68Å; Y764-L856 HydrophobicContact CE2-CD2 4.48Å; Y764-L856 HydrophobicContact CG-CD2 4.39Å; F767-L856 HydrophobicContact CD2-CD2 4.21Å; F767-L856 HydrophobicContact CE2-CD2 3.65Å; F767-L856 HydrophobicContact CE2-CG 4.15Å; F767-L856 HydrophobicContact CZ-CB 4.48Å; F767-L856 HydrophobicContact CZ-CD2 4.2Å; F767-L856 HydrophobicContact CZ-CG 4.2Å; A852-L856 WeakPolarHBondContact O-CB 3.45Å; A852-L856 PolarHBondContact O-N 3.43Å; L856-I858 VanDerWaalsContact C-N 3.26Å; L856-I858 PolarHBondContact O-N 3.19Å; L856-A859 PolarHBondContact O-N 2.62Å; L856-V860 HydrophobicContact CD1-CG2 3.72Å; L856-V860 HydrophobicContact CG-CG2 4.14Å; L856-V860 VanDerWaalsContact O-CB 3.3Å; L856-V860 WeakPolarHBondContact O-CB 3.33Å; L856-V860 VanDerWaalsContact O-CG2 3.28Å; L856-V860 WeakPolarHBondContact O-CG2 3.32Å; L856-V860 PolarHBondContact O-N 2.79Å
857	S	84	Confident	78.1	Confident	39 Å²	39	81.7 Å²	81.7	27%	0.273	40%	0.401	S	S	.	.	H	α-helix	trans	-61.3	-34	176.5	178.4	0	0	0	0	112.8	A853 K854 G855 N861	A853-S857 WeakPolarHBondContact O-CB 3.21Å; A853-S857 PolarHBondContact O-N 3.33Å; K854-S857 PolarHBondContact O-N 3.11Å; G855-S857 VanDerWaalsContact C-N 3.35Å; G855-S857 PolarHBondContact O-N 3.16Å; S857-N861 WeakPolarHBondContact O-CB 3.25Å; S857-N861 PolarHBondContact O-N 2.82Å; S857-N861 PolarHBondContact O-ND2 2.85Å
858	I	84.8	Confident	80.2	Confident	97 Å²	97	85.8 Å²	85.8	50%	0.497	41%	0.406	S	S	.	.	H	α-helix	trans	-70.4	-48.3	175.5	-68.7	164.5	0	0	0	110	K854 G855 L856 N861 Q862	K854-I858 VanDerWaalsContact O-CG1 3.32Å; K854-I858 WeakPolarHBondContact O-CG1 3.3Å; K854-I858 PolarHBondContact O-N 3.44Å; G855-I858 PolarHBondContact O-N 3.31Å; G855-I858 VanDerWaalsContact O-N 3.12Å; L856-I858 VanDerWaalsContact C-N 3.26Å; L856-I858 PolarHBondContact O-N 3.19Å; I858-N861 CarbonylContact O-C 3.43Å; I858-N861 PolarHBondContact O-N 2.98Å; I858-Q862 WeakPolarHBondContact O-CA 3.24Å; I858-Q862 PolarHBondContact O-N 3.42Å
859	A	85	Confident	82.2	Confident	20 Å²	20	84.9 Å²	84.9	17%	0.165	40%	0.404	C	S	.	.	H	α-helix	trans	-60.2	-51.5	179.6	0	0	0	0	0	111.8	C631 F757 G855 L856 N861 Q862	C631-A859 PolarHBondContact SG-O 3.25Å; F757-A859 HydrophobicContact CE1-CB 3.75Å; F757-A859 HydrophobicContact CZ-CB 3.98Å; G855-A859 PolarHBondContact O-N 3.29Å; L856-A859 PolarHBondContact O-N 2.62Å; A859-N861 PolarHBondContact O-N 3.27Å; A859-Q862 WeakPolarHBondContact O-CB 3.25Å; A859-Q862 WeakPolarHBondContact O-CG 3.35Å; A859-Q862 PolarHBondContact O-N 3.18Å; A859-Q862 VanDerWaalsContact O-N 3.14Å
860	V	86.3	Confident	84.1	Confident	9 Å²	9	74.7 Å²	74.7	6%	0.055	37%	0.366	C	S	.	.	H	α-helix	trans	-58.2	-24.4	178.9	163.7	0	0	0	0	113.4	P630 R678 F757 L856	P630-V860 HydrophobicContact CB-CG1 4.44Å; P630-V860 HydrophobicContact CG-CB 4.39Å; P630-V860 HydrophobicContact CG-CG1 3.8Å; P630-V860 HydrophobicContact CG-CG2 4.38Å; R678-V860 PolarHBondContact NH2-O 2.82Å; F757-V860 HydrophobicContact CB-CG2 4.48Å; F757-V860 HydrophobicContact CD1-CG2 4.37Å; F757-V860 HydrophobicContact CD2-CG2 4.13Å; F757-V860 HydrophobicContact CG-CG2 4.06Å; L856-V860 HydrophobicContact CD1-CG2 3.72Å; L856-V860 HydrophobicContact CG-CG2 4.14Å; L856-V860 VanDerWaalsContact O-CB 3.3Å; L856-V860 WeakPolarHBondContact O-CB 3.33Å; L856-V860 VanDerWaalsContact O-CG2 3.28Å; L856-V860 WeakPolarHBondContact O-CG2 3.32Å; L856-V860 PolarHBondContact O-N 2.79Å
861	N	88.3	Confident	85.5	Confident	29 Å²	29	73.5 Å²	73.5	16%	0.155	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	18.7	-177.7	-63.1	-74.8	0	0	0	112.8	R678 S857 I858 A859 F863 R864	R678-N861 PolarHBondContact NH2-OD1 3.39Å; S857-N861 WeakPolarHBondContact O-CB 3.25Å; S857-N861 PolarHBondContact O-N 2.82Å; S857-N861 PolarHBondContact O-ND2 2.85Å; I858-N861 CarbonylContact O-C 3.43Å; I858-N861 PolarHBondContact O-N 2.98Å; A859-N861 PolarHBondContact O-N 3.27Å; N861-F863 VanDerWaalsContact C-N 3.27Å; N861-F863 PolarHBondContact O-N 3.35Å; N861-R864 PolarHBondContact O-N 3.22Å; N861-R864 VanDerWaalsContact O-N 3.07Å
862	Q	88.5	Confident	86.7	Confident	40 Å²	40	66.3 Å²	66.3	19%	0.187	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-60.6	-35.3	-170.9	69.4	-180	10.3	0	0	113.3	I858 A859	I858-Q862 WeakPolarHBondContact O-CA 3.24Å; I858-Q862 PolarHBondContact O-N 3.42Å; A859-Q862 WeakPolarHBondContact O-CB 3.25Å; A859-Q862 WeakPolarHBondContact O-CG 3.35Å; A859-Q862 PolarHBondContact O-N 3.18Å; A859-Q862 VanDerWaalsContact O-N 3.14Å
863	F	92.3	Very high	87.7	Confident	11 Å²	11	64 Å²	64	5%	0.048	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-91.9	7.5	-179.8	-59.2	-51.6	0	0	0	113.9	C631 D634 F635 L749 L751 N861 Y897	C631-F863 HydrophobicContact CB-CD2 4.13Å; C631-F863 HydrophobicContact CB-CE2 4.05Å; C631-F863 VanDerWaalsContact O-CD2 3.25Å; C631-F863 WeakPolarHBondContact O-CD2 3.38Å; D634-F863 HydrophobicContact CB-CB 3.84Å; F635-F863 HydrophobicContact CB-CD2 3.75Å; F635-F863 HydrophobicContact CB-CE2 3.86Å; F635-F863 HydrophobicContact CB-CG 4.28Å; F635-F863 HydrophobicContact CD2-CD1 4.04Å; F635-F863 HydrophobicContact CD2-CD2 4.15Å; F635-F863 AromaticContact CD2-CE1 3.75Å; F635-F863 HydrophobicContact CD2-CE1 3.75Å; F635-F863 AromaticContact CD2-CE2 3.82Å; F635-F863 HydrophobicContact CD2-CE2 3.82Å; F635-F863 HydrophobicContact CD2-CG 4.22Å; F635-F863 AromaticContact CD2-CZ 3.6Å; F635-F863 HydrophobicContact CD2-CZ 3.6Å; F635-F863 HydrophobicContact CE2-CE1 4.3Å; F635-F863 HydrophobicContact CE2-CZ 4.3Å; F635-F863 HydrophobicContact CG-CD2 4.46Å; F635-F863 HydrophobicContact CG-CE2 4.25Å; F635-F863 HydrophobicContact CG-CZ 4.44Å; L749-F863 HydrophobicContact CD2-CE2 3.91Å; L749-F863 HydrophobicContact CD2-CZ 4.2Å; L751-F863 HydrophobicContact CD1-CE2 4.21Å; L751-F863 HydrophobicContact CD1-CZ 4.44Å; L751-F863 HydrophobicContact CD2-CE2 4.23Å; L751-F863 HydrophobicContact CD2-CZ 3.67Å; N861-F863 VanDerWaalsContact C-N 3.27Å; N861-F863 PolarHBondContact O-N 3.35Å; F863-Y897 HydrophobicContact CB-CD1 4.35Å; F863-Y897 HydrophobicContact CB-CG 4.41Å; F863-Y897 HydrophobicContact CD1-CD1 4.18Å; F863-Y897 AromaticContact CD1-CD2 3.98Å; F863-Y897 HydrophobicContact CD1-CD2 3.98Å; F863-Y897 AromaticContact CD1-CE1 3.76Å; F863-Y897 HydrophobicContact CD1-CE1 3.76Å; F863-Y897 AromaticContact CD1-CE2 3.53Å; F863-Y897 HydrophobicContact CD1-CE2 3.53Å; F863-Y897 HydrophobicContact CD1-CG 4.29Å; F863-Y897 AromaticContact CD1-CZ 3.42Å; F863-Y897 VanDerWaalsContact CD1-CZ 3.42Å; F863-Y897 HydrophobicContact CE1-CE1 4.27Å; F863-Y897 AromaticContact CE1-CE2 3.94Å; F863-Y897 HydrophobicContact CE1-CE2 3.94Å; F863-Y897 AromaticContact CE1-CZ 3.64Å; F863-Y897 WeakPolarHBondContact CE1-OH 3.36Å; F863-Y897 HydrophobicContact CG-CE1 4.46Å; F863-Y897 VanDerWaalsContact O-CB 3.25Å; F863-Y897 WeakPolarHBondContact O-CB 3.46Å
864	R	89.1	Confident	88.7	Confident	113 Å²	113	63.6 Å²	63.6	43%	0.426	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-95.8	-16	174.1	-60.2	-172.2	69	-166.7	7.2	112.8	D634 R678 N861	D634-R864 HydrophobicContact CB-CG 4.23Å; D634-R864 WeakPolarHBondContact OD2-CD 3.47Å; D634-R864 WeakPolarHBondContact OD2-CG 3.36Å; R678-R864 PolarHBondContact O-NH2 2.82Å; N861-R864 PolarHBondContact O-N 3.22Å; N861-R864 VanDerWaalsContact O-N 3.07Å
865	R	87.1	Confident	89.5	Confident	131 Å²	131	58.2 Å²	58.2	49%	0.494	27%	0.274	S	S	.	.	S	Bend	trans	-97.3	123.6	178.4	-64.8	-171.4	179.9	103.1	-2.4	109.4	R867	R865-R867 PolarHBondContact O-N 3.28Å
866	K	88.2	Confident	89.9	Confident	139 Å²	139	58.4 Å²	58.4	60%	0.604	26%	0.263	S	S	*	.	P	Polyproline II helix	trans	-61.7	135.3	174.3	-65	-171.4	-178.7	-174.3	0	110.4	Y897 E899	K866-Y897 WeakPolarHBondContact CA-O 3Å; K866-E899 WeakPolarHBondContact CE-OE2 3.31Å; K866-E899 IonicContact NZ-OE2 3.25Å; K866-E899 PolarHBondContact NZ-OE2 2.76Å
867	R	88.6	Confident	90.2	Very high	147 Å²	147	59.2 Å²	59.2	56%	0.555	27%	0.266	S	S	*	.	P	Polyproline II helix	trans	-97.7	126.6	174.5	-69	-68.3	-171.2	163.9	4	109.4	R865 A870 Y897 L898 T1009	R865-R867 PolarHBondContact O-N 3.28Å; R867-A870 HydrophobicContact CB-CB 4.25Å; R867-Y897 PolarHBondContact N-O 3.12Å; R867-L898 HydrophobicContact CB-CD2 4.18Å; R867-L898 HydrophobicContact CG-CD2 4.42Å; R867-T1009 HydrophobicContact CB-CG2 4.44Å; R867-T1009 HydrophobicContact CG-CG2 4.34Å
868	K	86.1	Confident	90.1	Very high	187 Å²	187	58.9 Å²	58.9	81%	0.813	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	145.2	172.8	-64.4	-173.1	177.3	-174.3	0	109.5	A870	K868-A870 VanDerWaalsContact C-N 3.25Å; K868-A870 PolarHBondContact O-N 2.92Å
869	H	88.7	Confident	90	Very high	180 Å²	180	59.1 Å²	59.1	83%	0.833	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	41.5	179.6	-47.9	96.4	0	0	0	112.8
870	A	93.1	Very high	90	Very high	2 Å²	2	58.2 Å²	58.2	2%	0.017	26%	0.258	C	S	.	.			trans	-72.8	143.4	178	0	0	0	0	0	111	R867 K868 L898 A901 Q902 T1009	R867-A870 HydrophobicContact CB-CB 4.25Å; K868-A870 VanDerWaalsContact C-N 3.25Å; K868-A870 PolarHBondContact O-N 2.92Å; A870-L898 HydrophobicContact CB-CD2 3.74Å; A870-A901 HydrophobicContact CB-CB 3.79Å; A870-A901 CarbonylContact O-C 3.57Å; A870-A901 WeakPolarHBondContact O-CA 3.38Å; A870-A901 WeakPolarHBondContact O-CB 3.29Å; A870-Q902 PolarHBondContact O-N 3.3Å; A870-T1009 WeakPolarHBondContact CA-OG1 3.21Å; A870-T1009 HydrophobicContact CB-CG2 4.09Å
871	V	96.5	Very high	90.1	Very high	31 Å²	31	58 Å²	58	19%	0.188	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	127.5	173.6	-176.8	0	0	0	0	108.1	Q902 R904 T1008 T1009 L1010	V871-Q902 WeakPolarHBondContact CA-O 3.46Å; V871-Q902 HydrophobicContact CG2-CB 4.46Å; V871-R904 HydrophobicContact CG1-CG 4.36Å; V871-T1008 HydrophobicContact CB-CG2 4.36Å; V871-T1008 HydrophobicContact CG1-CG2 4.02Å; V871-T1009 PolarHBondContact N-OG1 2.92Å; V871-T1009 WeakPolarHBondContact O-CB 3.36Å; V871-T1009 PolarHBondContact O-N 3.06Å; V871-L1010 PolarHBondContact O-N 3.42Å
872	I	97.5	Very high	90.1	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	118.8	174.3	-56.2	170.5	0	0	0	107.9	V874 L891 L898 A901 Q902 L903 R904 L1010 V1012	I872-V874 HydrophobicContact CG2-CG2 4.03Å; I872-L891 HydrophobicContact CD1-CB 4.04Å; I872-L898 HydrophobicContact CD1-CB 4.19Å; I872-L898 HydrophobicContact CD1-CD1 3.66Å; I872-L898 HydrophobicContact CG1-CD1 3.77Å; I872-A901 HydrophobicContact CD1-CB 3.69Å; I872-A901 HydrophobicContact CG1-CB 3.82Å; I872-Q902 PolarHBondContact N-O 2.8Å; I872-L903 HydrophobicContact CB-CD2 3.66Å; I872-L903 HydrophobicContact CD1-CD2 3.83Å; I872-L903 HydrophobicContact CG1-CD2 4.22Å; I872-L903 HydrophobicContact CG2-CD2 4.12Å; I872-L903 WeakPolarHBondContact O-CA 3.46Å; I872-R904 PolarHBondContact O-N 3.34Å; I872-L1010 WeakPolarHBondContact CA-O 3.27Å; I872-L1010 HydrophobicContact CG1-CB 4.39Å; I872-L1010 HydrophobicContact CG2-CD2 4.36Å; I872-V1012 HydrophobicContact CG2-CG2 3.85Å
873	D	97.8	Very high	90.4	Very high	0 Å²	0	55 Å²	55	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	123.4	172.7	-77	-1.5	0	0	0	109.8	R904 F906 S1005 T1008 L1010 I1011 V1012	D873-R904 IonicContact OD1-CZ 2.91Å; D873-R904 VanDerWaalsContact OD1-CZ 3.27Å; D873-R904 IonicContact OD1-NE 2.65Å; D873-R904 PolarHBondContact OD1-NE 3.49Å; D873-R904 IonicContact OD1-NH2 3.8Å; D873-R904 PolarHBondContact OD1-NH2 2.52Å; D873-R904 IonicContact OD2-CZ 2.95Å; D873-R904 IonicContact OD2-NE 3.11Å; D873-R904 IonicContact OD2-NH2 3.82Å; D873-R904 PolarHBondContact OD2-NH2 2.82Å; D873-F906 HydrophobicContact CB-CD2 4.38Å; D873-F906 HydrophobicContact CB-CE2 3.94Å; D873-S1005 WeakPolarHBondContact OD2-CA 3.46Å; D873-S1005 WeakPolarHBondContact OD2-CB 3.41Å; D873-S1005 PolarHBondContact OD2-OG 2.84Å; D873-T1008 HydrophobicContact CB-CG2 4.43Å; D873-T1008 VanDerWaalsContact CG-CG2 3.44Å; D873-T1008 WeakPolarHBondContact OD2-CG2 3.32Å; D873-L1010 PolarHBondContact N-O 3.43Å; D873-I1011 CarbonylContact O-C 3.54Å; D873-I1011 WeakPolarHBondContact O-CA 3.33Å; D873-V1012 PolarHBondContact O-N 3.33Å
874	V	96.8	Very high	90.4	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	102.6	-175.8	-169.2	0	0	0	0	109.2	I872 W876 T884 L885 S888 R904 V905 F906 V1012	I872-V874 HydrophobicContact CG2-CG2 4.03Å; V874-W876 PolarHBondContact O-N 3.28Å; V874-T884 HydrophobicContact CG1-CG2 3.56Å; V874-L885 HydrophobicContact CG1-CD2 4.08Å; V874-S888 VanDerWaalsContact CG2-CB 3.41Å; V874-S888 WeakPolarHBondContact CG2-OG 3.39Å; V874-R904 PolarHBondContact N-O 3.27Å; V874-V905 HydrophobicContact CB-CG2 4.41Å; V874-V905 CarbonylContact O-C 3.28Å; V874-V905 WeakPolarHBondContact O-CA 3.28Å; V874-F906 PolarHBondContact O-N 3.26Å; V874-V1012 CarbonylContact C-O 3.57Å; V874-V1012 WeakPolarHBondContact CA-O 3.49Å
875	W	95.5	Very high	90.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	88.8	179.5	-69.2	76.6	0	0	0	110	F877 F906 L939 L1000 L1001 Y1004 S1005 V1012 I1013 S1014	W875-F877 HydrophobicContact CD2-CZ 4.48Å; W875-F877 AromaticContact CE3-CE1 3.76Å; W875-F877 HydrophobicContact CE3-CE1 3.76Å; W875-F877 AromaticContact CE3-CE2 3.84Å; W875-F877 HydrophobicContact CE3-CE2 3.84Å; W875-F877 AromaticContact CE3-CZ 3.26Å; W875-F877 HydrophobicContact CE3-CZ 3.26Å; W875-F877 HydrophobicContact CZ3-CE1 4.26Å; W875-F877 HydrophobicContact CZ3-CE2 4.41Å; W875-F877 AromaticContact CZ3-CZ 3.63Å; W875-F877 HydrophobicContact CZ3-CZ 3.63Å; W875-F877 PolarHBondContact O-N 2.88Å; W875-F906 HydrophobicContact CD2-CB 3.77Å; W875-F906 HydrophobicContact CD2-CD2 4.31Å; W875-F906 HydrophobicContact CD2-CG 4.02Å; W875-F906 AromaticContact CE2-CD2 3.89Å; W875-F906 AromaticContact CE2-CG 3.81Å; W875-F906 HydrophobicContact CE3-CB 3.82Å; W875-F906 HydrophobicContact CE3-CG 4.32Å; W875-F906 HydrophobicContact CG-CB 4.19Å; W875-F906 HydrophobicContact CG-CD2 4.49Å; W875-F906 AromaticContact CH2-CD1 3.97Å; W875-F906 HydrophobicContact CH2-CD1 3.97Å; W875-F906 HydrophobicContact CH2-CE1 4.44Å; W875-F906 HydrophobicContact CH2-CG 4.28Å; W875-F906 HydrophobicContact CZ2-CB 4.49Å; W875-F906 AromaticContact CZ2-CD1 3.88Å; W875-F906 HydrophobicContact CZ2-CD1 3.88Å; W875-F906 HydrophobicContact CZ2-CD2 4.28Å; W875-F906 HydrophobicContact CZ2-CE1 4.11Å; W875-F906 AromaticContact CZ2-CG 3.97Å; W875-F906 HydrophobicContact CZ2-CG 3.97Å; W875-F906 HydrophobicContact CZ2-CZ 4.43Å; W875-F906 HydrophobicContact CZ3-CB 4.22Å; W875-F906 HydrophobicContact CZ3-CD1 4.42Å; W875-F906 HydrophobicContact CZ3-CG 4.47Å; W875-F906 AromaticContact NE1-CD2 3.8Å; W875-L939 HydrophobicContact CE3-CD1 4.34Å; W875-L939 HydrophobicContact CH2-CD1 4.08Å; W875-L939 HydrophobicContact CZ3-CD1 3.48Å; W875-L939 VanDerWaalsContact CZ3-CD1 3.48Å; W875-L1000 HydrophobicContact CH2-CB 3.77Å; W875-L1000 HydrophobicContact CZ3-CB 4.02Å; W875-L1001 HydrophobicContact CD2-CD2 3.69Å; W875-L1001 HydrophobicContact CE3-CD2 4.4Å; W875-L1001 HydrophobicContact CG-CD2 3.89Å; W875-L1001 HydrophobicContact CZ2-CD2 3.83Å; W875-L1001 HydrophobicContact CZ2-CG 4.41Å; W875-L1001 VanDerWaalsContact NE1-CD2 3.32Å; W875-Y1004 HydrophobicContact CH2-CD2 4.33Å; W875-S1005 WeakPolarHBondContact CZ2-OG 3.23Å; W875-S1005 PolarHBondContact NE1-OG 2.87Å; W875-V1012 PolarHBondContact N-O 3.44Å; W875-I1013 HydrophobicContact CB-CB 3.84Å; W875-I1013 HydrophobicContact CB-CD1 3.92Å; W875-I1013 HydrophobicContact CB-CG1 3.63Å; W875-I1013 HydrophobicContact CG-CD1 4.39Å; W875-I1013 WeakPolarHBondContact O-CA 3.34Å; W875-S1014 PolarHBondContact O-N 3.33Å; W875-S1014 PolarHBondContact O-OG 2.85Å
876	W	91.8	Very high	90.9	Very high	42 Å²	42	44 Å²	44	16%	0.159	20%	0.204	C	C	.	.			trans	-96.4	85.6	-174.4	-168	41.3	0	0	0	110.6	V874 S878 D880 L885 F906 T907 L922	V874-W876 PolarHBondContact O-N 3.28Å; W876-S878 PolarHBondContact NE1-O 3.13Å; W876-D880 PolarHBondContact NE1-OD1 2.91Å; W876-L885 HydrophobicContact CD2-CD1 3.97Å; W876-L885 HydrophobicContact CD2-CG 4.14Å; W876-L885 HydrophobicContact CE3-CD1 3.71Å; W876-L885 HydrophobicContact CE3-CG 4.26Å; W876-L885 HydrophobicContact CG-CG 4.47Å; W876-L885 HydrophobicContact CH2-CD1 3.86Å; W876-L885 HydrophobicContact CZ2-CD1 4.1Å; W876-L885 HydrophobicContact CZ3-CD1 3.66Å; W876-F906 PolarHBondContact N-O 2.92Å; W876-T907 PolarHBondContact O-OG1 2.92Å; W876-L922 HydrophobicContact CE3-CD1 4.29Å; W876-L922 HydrophobicContact CZ3-CD1 3.88Å
877	F	87.7	Confident	91.2	Very high	26 Å²	26	37.4 Å²	37.4	11%	0.114	18%	0.176	C	C	.	.			trans	-99	-9	-172.1	-74.9	-18.8	0	0	0	115.1	W875 K908 L939 M942 T997 I1013 S1014	W875-F877 HydrophobicContact CD2-CZ 4.48Å; W875-F877 AromaticContact CE3-CE1 3.76Å; W875-F877 HydrophobicContact CE3-CE1 3.76Å; W875-F877 AromaticContact CE3-CE2 3.84Å; W875-F877 HydrophobicContact CE3-CE2 3.84Å; W875-F877 AromaticContact CE3-CZ 3.26Å; W875-F877 HydrophobicContact CE3-CZ 3.26Å; W875-F877 HydrophobicContact CZ3-CE1 4.26Å; W875-F877 HydrophobicContact CZ3-CE2 4.41Å; W875-F877 AromaticContact CZ3-CZ 3.63Å; W875-F877 HydrophobicContact CZ3-CZ 3.63Å; W875-F877 PolarHBondContact O-N 2.88Å; F877-K908 HydrophobicContact CD1-CB 4.28Å; F877-K908 HydrophobicContact CE1-CB 4.41Å; F877-K908 VanDerWaalsContact O-CE 3.3Å; F877-K908 WeakPolarHBondContact O-CE 3.32Å; F877-K908 PolarHBondContact O-NZ 2.85Å; F877-L939 HydrophobicContact CE1-CD1 4.27Å; F877-L939 HydrophobicContact CZ-CD1 4.28Å; F877-M942 HydrophobicContact CE1-SD 4.39Å; F877-M942 HydrophobicContact CE2-CE 4.41Å; F877-M942 HydrophobicContact CE2-SD 3.94Å; F877-M942 HydrophobicContact CZ-CE 4.34Å; F877-M942 HydrophobicContact CZ-SD 3.75Å; F877-T997 HydrophobicContact CE2-CG2 3.86Å; F877-I1013 HydrophobicContact CD2-CD1 4.49Å; F877-I1013 HydrophobicContact CE2-CD1 4.46Å; F877-S1014 PolarHBondContact N-OG 3.48Å; F877-S1014 VanDerWaalsContact N-OG 3.14Å
878	S	83	Confident	91.6	Very high	33 Å²	33	30.5 Å²	30.5	23%	0.231	15%	0.15	C	C	.	.	S	Bend	trans	-145.3	143.4	-175.9	63.9	0	0	0	0	109.7	W876 D880 S1014 R1046	W876-S878 PolarHBondContact NE1-O 3.13Å; S878-D880 PolarHBondContact O-N 3.32Å; S878-S1014 VanDerWaalsContact OG-CB 3.26Å; S878-S1014 WeakPolarHBondContact OG-CB 3.32Å; S878-S1014 PolarHBondContact OG-OG 3.15Å; S878-R1046 PolarHBondContact OG-NH1 2.81Å
879	D	82.9	Confident	91.9	Very high	102 Å²	102	23.3 Å²	23.3	55%	0.545	12%	0.119	S	C	.	.			trans	-63.4	126.3	169.1	-167	-1.1	0	0	0	109.9	G881 R1046 Q1049	D879-G881 PolarHBondContact OD1-N 3.38Å; D879-R1046 PolarHBondContact O-NH1 3.26Å; D879-Q1049 PolarHBondContact O-NE2 3.26Å
880	D	85	Confident	92.2	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.088	C	C	.	.	S	Bend	trans	-138	20	-177.3	74.4	-21.5	0	0	0	110.9	W876 S878 G882 L883 T884 G1047	W876-D880 PolarHBondContact NE1-OD1 2.91Å; S878-D880 PolarHBondContact O-N 3.32Å; D880-G882 PolarHBondContact O-N 2.92Å; D880-G882 WeakPolarHBondContact OD1-CA 3.46Å; D880-G882 PolarHBondContact OD1-N 2.95Å; D880-L883 PolarHBondContact O-N 3.17Å; D880-L883 PolarHBondContact OD1-N 3.19Å; D880-T884 VanDerWaalsContact OD2-CB 3.24Å; D880-T884 WeakPolarHBondContact OD2-CB 3.46Å; D880-T884 PolarHBondContact OD2-N 3.01Å; D880-T884 PolarHBondContact OD2-OG1 3.13Å; D880-G1047 WeakPolarHBondContact O-CA 3.18Å
881	G	87.2	Confident	92.4	Very high	6 Å²	6	16.2 Å²	16.2	6%	0.062	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	7.1	-175.2	0	0	0	0	0	114.3	D879 K1050 V1052	D879-G881 PolarHBondContact OD1-N 3.38Å; G881-K1050 WeakPolarHBondContact CA-O 3.46Å; G881-V1052 WeakPolarHBondContact O-CG2 3.26Å; G881-V1052 PolarHBondContact O-N 3Å
882	G	89.5	Confident	92.3	Very high	5 Å²	5	15.5 Å²	15.5	5%	0.052	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.3	12.2	-177.1	0	0	0	0	0	114	D880 T884 L885 L886 L1053	D880-G882 PolarHBondContact O-N 2.92Å; D880-G882 WeakPolarHBondContact OD1-CA 3.46Å; D880-G882 PolarHBondContact OD1-N 2.95Å; G882-T884 PolarHBondContact O-N 3.44Å; G882-L885 PolarHBondContact O-N 3.15Å; G882-L886 WeakPolarHBondContact O-CB 3.26Å; G882-L886 PolarHBondContact O-N 3.41Å; G882-L1053 WeakPolarHBondContact O-CD1 3.35Å
883	L	93.3	Very high	92.1	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-64.7	-40.9	-177.3	-176.2	64.8	0	0	0	112.7	I712 A745 D880 L885 L886 V887 V1045 V1052	I712-L883 HydrophobicContact CD1-CD1 4.03Å; I712-L883 HydrophobicContact CG1-CD2 4.35Å; A745-L883 HydrophobicContact CB-CD2 3.35Å; D880-L883 PolarHBondContact O-N 3.17Å; D880-L883 PolarHBondContact OD1-N 3.19Å; L883-L885 VanDerWaalsContact C-N 3.26Å; L883-L885 PolarHBondContact O-N 2.72Å; L883-L886 PolarHBondContact O-N 3.34Å; L883-V887 HydrophobicContact CD1-CG2 3.85Å; L883-V887 HydrophobicContact CG-CG2 4.11Å; L883-V887 WeakPolarHBondContact O-CB 3.32Å; L883-V887 WeakPolarHBondContact O-CG2 3.47Å; L883-V887 PolarHBondContact O-N 3.49Å; L883-V1045 HydrophobicContact CB-CG1 4.36Å; L883-V1045 HydrophobicContact CD2-CG1 3.88Å; L883-V1045 HydrophobicContact CG-CG1 3.92Å; L883-V1052 HydrophobicContact CB-CG2 4.1Å; L883-V1052 HydrophobicContact CD1-CG2 4.34Å
884	T	93.9	Very high	91.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-56.9	-41.7	175.7	-61.8	0	0	0	0	111	V874 D880 G882 S888 V1012	V874-T884 HydrophobicContact CG1-CG2 3.56Å; D880-T884 VanDerWaalsContact OD2-CB 3.24Å; D880-T884 WeakPolarHBondContact OD2-CB 3.46Å; D880-T884 PolarHBondContact OD2-N 3.01Å; D880-T884 PolarHBondContact OD2-OG1 3.13Å; G882-T884 PolarHBondContact O-N 3.44Å; T884-S888 WeakPolarHBondContact O-CB 3.25Å; T884-S888 PolarHBondContact O-N 3.04Å; T884-S888 PolarHBondContact O-OG 2.94Å; T884-V1012 HydrophobicContact CG2-CG1 3.75Å
885	L	93.1	Very high	91.3	Very high	1 Å²	1	29 Å²	29	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-70.9	-43.4	176	-69.4	174.8	0	0	0	112.1	V874 W876 G882 L883 S888 H889 V905 L926 I931 L1053	V874-L885 HydrophobicContact CG1-CD2 4.08Å; W876-L885 HydrophobicContact CD2-CD1 3.97Å; W876-L885 HydrophobicContact CD2-CG 4.14Å; W876-L885 HydrophobicContact CE3-CD1 3.71Å; W876-L885 HydrophobicContact CE3-CG 4.26Å; W876-L885 HydrophobicContact CG-CG 4.47Å; W876-L885 HydrophobicContact CH2-CD1 3.86Å; W876-L885 HydrophobicContact CZ2-CD1 4.1Å; W876-L885 HydrophobicContact CZ3-CD1 3.66Å; G882-L885 PolarHBondContact O-N 3.15Å; L883-L885 VanDerWaalsContact C-N 3.26Å; L883-L885 PolarHBondContact O-N 2.72Å; L885-S888 WeakPolarHBondContact CA-OG 3.38Å; L885-S888 PolarHBondContact O-OG 3.46Å; L885-H889 VanDerWaalsContact O-CB 3.27Å; L885-H889 WeakPolarHBondContact O-CB 3.43Å; L885-H889 PolarHBondContact O-N 2.81Å; L885-V905 HydrophobicContact CD2-CG1 4.16Å; L885-V905 HydrophobicContact CD2-CG2 4.28Å; L885-L926 HydrophobicContact CD1-CD2 3.99Å; L885-L926 HydrophobicContact CD2-CD2 3.99Å; L885-I931 HydrophobicContact CB-CD1 4.24Å; L885-L1053 HydrophobicContact CB-CD1 3.79Å; L885-L1053 HydrophobicContact CD1-CD1 4.49Å
886	L	93.1	Very high	91.1	Very high	21 Å²	21	29.1 Å²	29.1	11%	0.11	15%	0.152	C	C	.	.	H	α-helix	trans	-62.9	-46.2	179.1	177.4	61.7	0	0	0	111.5	Y615 G882 L883 H889 L890 V1052 L1053	Y615-L886 HydrophobicContact CD1-CD2 3.71Å; Y615-L886 HydrophobicContact CE1-CD2 3.68Å; G882-L886 WeakPolarHBondContact O-CB 3.26Å; G882-L886 PolarHBondContact O-N 3.41Å; L883-L886 PolarHBondContact O-N 3.34Å; L886-H889 PolarHBondContact O-N 2.99Å; L886-L890 HydrophobicContact CD1-CD1 4.08Å; L886-L890 HydrophobicContact CD1-CG 4.05Å; L886-L890 HydrophobicContact CG-CD1 4Å; L886-L890 HydrophobicContact CG-CG 4.37Å; L886-L890 WeakPolarHBondContact O-CB 3.49Å; L886-L890 VanDerWaalsContact O-CG 3.25Å; L886-L890 WeakPolarHBondContact O-CG 3.39Å; L886-L890 PolarHBondContact O-N 3.41Å; L886-V1052 HydrophobicContact CB-CG2 4.13Å; L886-V1052 HydrophobicContact CD2-CB 3.94Å; L886-V1052 HydrophobicContact CD2-CG2 3.76Å; L886-L1053 HydrophobicContact CB-CD1 4.36Å; L886-L1053 HydrophobicContact CB-CD2 4.07Å; L886-L1053 HydrophobicContact CB-CG 4.16Å; L886-L1053 HydrophobicContact CD1-CD2 3.86Å; L886-L1053 HydrophobicContact CG-CD2 4.43Å
887	V	95	Very high	91.3	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.012	15%	0.147	C	C	.	.	H	α-helix	trans	-64	-45	-179	170.9	0	0	0	0	111.1	I639 L883 L890 L891 L1043	I639-V887 HydrophobicContact CD1-CG1 3.79Å; I639-V887 HydrophobicContact CG1-CG1 4.24Å; L883-V887 HydrophobicContact CD1-CG2 3.85Å; L883-V887 HydrophobicContact CG-CG2 4.11Å; L883-V887 WeakPolarHBondContact O-CB 3.32Å; L883-V887 WeakPolarHBondContact O-CG2 3.47Å; L883-V887 PolarHBondContact O-N 3.49Å; V887-L890 PolarHBondContact O-N 3.02Å; V887-L891 HydrophobicContact CG1-CD1 4.15Å; V887-L891 VanDerWaalsContact O-CG 3.32Å; V887-L891 WeakPolarHBondContact O-CG 3.06Å; V887-L891 PolarHBondContact O-N 2.9Å; V887-L1043 HydrophobicContact CG1-CD2 3.67Å
888	S	95.5	Very high	91.6	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.007	14%	0.142	C	C	.	.	H	α-helix	trans	-63.5	-42.7	177.1	52.5	0	0	0	0	112	V874 T884 L885 L891 S892	V874-S888 VanDerWaalsContact CG2-CB 3.41Å; V874-S888 WeakPolarHBondContact CG2-OG 3.39Å; T884-S888 WeakPolarHBondContact O-CB 3.25Å; T884-S888 PolarHBondContact O-N 3.04Å; T884-S888 PolarHBondContact O-OG 2.94Å; L885-S888 WeakPolarHBondContact CA-OG 3.38Å; L885-S888 PolarHBondContact O-OG 3.46Å; S888-L891 PolarHBondContact O-N 3.27Å; S888-S892 PolarHBondContact O-N 3.01Å; S888-S892 VanDerWaalsContact O-N 3.15Å
889	H	94.2	Very high	92.1	Very high	36 Å²	36	28.4 Å²	28.4	17%	0.167	15%	0.147	C	C	.	.	H	α-helix	trans	-61	-46.5	172.4	178.9	80.7	0	0	0	112	L885 L886 L891 S892 Q893 I931	L885-H889 VanDerWaalsContact O-CB 3.27Å; L885-H889 WeakPolarHBondContact O-CB 3.43Å; L885-H889 PolarHBondContact O-N 2.81Å; L886-H889 PolarHBondContact O-N 2.99Å; H889-L891 PolarHBondContact O-N 2.86Å; H889-S892 PolarHBondContact O-N 2.82Å; H889-S892 PolarHBondContact O-OG 2.86Å; H889-Q893 PolarHBondContact CE1-NE2 2.78Å; H889-Q893 PolarHBondContact NE2-NE2 2.95Å; H889-Q893 VanDerWaalsContact O-CG 3.32Å; H889-Q893 WeakPolarHBondContact O-CG 2.86Å; H889-Q893 PolarHBondContact O-N 2.88Å; H889-I931 HydrophobicContact CB-CD1 4.39Å; H889-I931 HydrophobicContact CB-CG1 4.34Å; H889-I931 HydrophobicContact CB-CG2 4.31Å
890	L	94.8	Very high	92.5	Very high	33 Å²	33	26.6 Å²	26.6	17%	0.173	15%	0.152	C	C	.	.	H	α-helix	trans	-60.3	-35.4	177.8	-72.9	173.9	0	0	0	111.9	P617 I639 K641 L886 V887 S892 Q893	P617-L890 HydrophobicContact CG-CD1 3.57Å; I639-L890 HydrophobicContact CG2-CD1 4.09Å; K641-L890 WeakPolarHBondContact CE-O 3.48Å; K641-L890 PolarHBondContact NZ-O 3.24Å; L886-L890 HydrophobicContact CD1-CD1 4.08Å; L886-L890 HydrophobicContact CD1-CG 4.05Å; L886-L890 HydrophobicContact CG-CD1 4Å; L886-L890 HydrophobicContact CG-CG 4.37Å; L886-L890 WeakPolarHBondContact O-CB 3.49Å; L886-L890 VanDerWaalsContact O-CG 3.25Å; L886-L890 WeakPolarHBondContact O-CG 3.39Å; L886-L890 PolarHBondContact O-N 3.41Å; V887-L890 PolarHBondContact O-N 3.02Å; L890-S892 VanDerWaalsContact C-N 3.34Å; L890-Q893 PolarHBondContact O-N 3.15Å
891	L	95.7	Very high	93	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-69.5	-26.3	175.1	-71.5	170.6	0	0	0	113.2	F635 I639 I872 V887 S888 H889 S896 Y897 L898 L1010	F635-L891 HydrophobicContact CE1-CD1 4.43Å; F635-L891 HydrophobicContact CZ-CD1 3.9Å; I639-L891 HydrophobicContact CG1-CD2 3.87Å; I639-L891 HydrophobicContact CG1-CG 4.19Å; I872-L891 HydrophobicContact CD1-CB 4.04Å; V887-L891 HydrophobicContact CG1-CD1 4.15Å; V887-L891 VanDerWaalsContact O-CG 3.32Å; V887-L891 WeakPolarHBondContact O-CG 3.06Å; V887-L891 PolarHBondContact O-N 2.9Å; S888-L891 PolarHBondContact O-N 3.27Å; H889-L891 PolarHBondContact O-N 2.86Å; L891-S896 WeakPolarHBondContact O-CB 3.43Å; L891-S896 PolarHBondContact O-OG 3.07Å; L891-Y897 HydrophobicContact CD2-CE1 4.26Å; L891-L898 CarbonylContact O-C 3.59Å; L891-L898 VanDerWaalsContact O-C 3.29Å; L891-L898 WeakPolarHBondContact O-CB 3.47Å; L891-L1010 HydrophobicContact CD1-CD2 3.56Å
892	S	94.7	Very high	93.4	Very high	16 Å²	16	31.9 Å²	31.9	11%	0.112	18%	0.177	C	C	.	.	H	α-helix	trans	-82.4	-14.7	176.4	71.6	0	0	0	0	114	S888 H889 L890 L898 E899 G900	S888-S892 PolarHBondContact O-N 3.01Å; S888-S892 VanDerWaalsContact O-N 3.15Å; H889-S892 PolarHBondContact O-N 2.82Å; H889-S892 PolarHBondContact O-OG 2.86Å; L890-S892 VanDerWaalsContact C-N 3.34Å; S892-L898 WeakPolarHBondContact CA-O 3.46Å; S892-E899 CarbonylContact O-C 3.49Å; S892-E899 WeakPolarHBondContact O-CA 3.47Å; S892-G900 PolarHBondContact O-N 3.38Å
893	Q	93	Very high	93.7	Very high	81 Å²	81	31.7 Å²	31.7	38%	0.379	18%	0.175	S	C	.	.	S	Bend	trans	-80.6	172.6	-178.9	-70.2	-62.6	-34	0	0	113.4	H889 L890 S896	H889-Q893 PolarHBondContact CE1-NE2 2.78Å; H889-Q893 PolarHBondContact NE2-NE2 2.95Å; H889-Q893 VanDerWaalsContact O-CG 3.32Å; H889-Q893 WeakPolarHBondContact O-CG 2.86Å; H889-Q893 PolarHBondContact O-N 2.88Å; L890-Q893 PolarHBondContact O-N 3.15Å; Q893-S896 VanDerWaalsContact O-CB 3.31Å; Q893-S896 WeakPolarHBondContact O-CB 3.49Å; Q893-S896 PolarHBondContact O-N 3.01Å
894	S	90.1	Very high	93.8	Very high	64 Å²	64	34.7 Å²	34.7	45%	0.448	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	155.3	-179.9	70.3	0	0	0	0	114	K641 S896 E899	K641-S894 WeakPolarHBondContact CD-O 3.4Å; K641-S894 VanDerWaalsContact CE-O 3.27Å; K641-S894 WeakPolarHBondContact CE-O 3.36Å; S894-S896 PolarHBondContact O-N 2.82Å; S894-E899 WeakPolarHBondContact CA-OE1 3.38Å; S894-E899 VanDerWaalsContact CB-OE1 3.29Å; S894-E899 WeakPolarHBondContact CB-OE1 3.19Å
895	K	88.2	Confident	93.9	Very high	140 Å²	140	34.7 Å²	34.7	61%	0.609	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.5	-7.2	-173	-54.9	178.8	179.1	175.9	0	116	K641	K641-K895 HydrophobicContact CB-CD 4.46Å; K641-K895 HydrophobicContact CG-CB 4.36Å
896	S	92.4	Very high	93.9	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.014	19%	0.186	C	C	.	.	S	Bend	trans	-78.3	157	170.7	177.8	0	0	0	0	111.8	L891 Q893 S894 L898 E899	L891-S896 WeakPolarHBondContact O-CB 3.43Å; L891-S896 PolarHBondContact O-OG 3.07Å; Q893-S896 VanDerWaalsContact O-CB 3.31Å; Q893-S896 WeakPolarHBondContact O-CB 3.49Å; Q893-S896 PolarHBondContact O-N 3.01Å; S894-S896 PolarHBondContact O-N 2.82Å; S896-L898 PolarHBondContact O-N 3.28Å; S896-L898 PolarHBondContact OG-N 3.27Å; S896-L898 VanDerWaalsContact OG-N 3.13Å; S896-E899 PolarHBondContact O-N 3.19Å
897	Y	94.2	Very high	93.7	Very high	11 Å²	11	34.8 Å²	34.8	4%	0.043	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-16.4	169.7	84.3	-82	0	0	0	113.3	F635 S638 F863 K866 R867 L891	F635-Y897 AromaticContact CD2-CE1 3.86Å; F635-Y897 HydrophobicContact CD2-CE1 3.86Å; F635-Y897 AromaticContact CE2-CE1 3.94Å; F635-Y897 HydrophobicContact CE2-CE1 3.94Å; F635-Y897 WeakPolarHBondContact CE2-OH 3.38Å; S638-Y897 WeakPolarHBondContact OG-CD1 3.49Å; F863-Y897 HydrophobicContact CB-CD1 4.35Å; F863-Y897 HydrophobicContact CB-CG 4.41Å; F863-Y897 HydrophobicContact CD1-CD1 4.18Å; F863-Y897 AromaticContact CD1-CD2 3.98Å; F863-Y897 HydrophobicContact CD1-CD2 3.98Å; F863-Y897 AromaticContact CD1-CE1 3.76Å; F863-Y897 HydrophobicContact CD1-CE1 3.76Å; F863-Y897 AromaticContact CD1-CE2 3.53Å; F863-Y897 HydrophobicContact CD1-CE2 3.53Å; F863-Y897 HydrophobicContact CD1-CG 4.29Å; F863-Y897 AromaticContact CD1-CZ 3.42Å; F863-Y897 VanDerWaalsContact CD1-CZ 3.42Å; F863-Y897 HydrophobicContact CE1-CE1 4.27Å; F863-Y897 AromaticContact CE1-CE2 3.94Å; F863-Y897 HydrophobicContact CE1-CE2 3.94Å; F863-Y897 AromaticContact CE1-CZ 3.64Å; F863-Y897 WeakPolarHBondContact CE1-OH 3.36Å; F863-Y897 HydrophobicContact CG-CE1 4.46Å; F863-Y897 VanDerWaalsContact O-CB 3.25Å; F863-Y897 WeakPolarHBondContact O-CB 3.46Å; K866-Y897 WeakPolarHBondContact CA-O 3Å; R867-Y897 PolarHBondContact N-O 3.12Å; L891-Y897 HydrophobicContact CD2-CE1 4.26Å
898	L	95.4	Very high	93.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	26.9	175.9	-59.6	-178.4	0	0	0	112.5	R867 A870 I872 L891 S892 S896 G900 A901 T1009 L1010	R867-L898 HydrophobicContact CB-CD2 4.18Å; R867-L898 HydrophobicContact CG-CD2 4.42Å; A870-L898 HydrophobicContact CB-CD2 3.74Å; I872-L898 HydrophobicContact CD1-CB 4.19Å; I872-L898 HydrophobicContact CD1-CD1 3.66Å; I872-L898 HydrophobicContact CG1-CD1 3.77Å; L891-L898 CarbonylContact O-C 3.59Å; L891-L898 VanDerWaalsContact O-C 3.29Å; L891-L898 WeakPolarHBondContact O-CB 3.47Å; S892-L898 WeakPolarHBondContact CA-O 3.46Å; S896-L898 PolarHBondContact O-N 3.28Å; S896-L898 PolarHBondContact OG-N 3.27Å; S896-L898 VanDerWaalsContact OG-N 3.13Å; L898-G900 PolarHBondContact O-N 2.93Å; L898-A901 HydrophobicContact CB-CB 4.05Å; L898-A901 WeakPolarHBondContact O-CB 3.11Å; L898-A901 PolarHBondContact O-N 3.36Å; L898-T1009 HydrophobicContact CD2-CG2 3.64Å; L898-L1010 HydrophobicContact CD1-CB 3.92Å; L898-L1010 HydrophobicContact CD1-CD2 3.67Å; L898-L1010 HydrophobicContact CD1-CG 4.44Å
899	E	92.9	Very high	92.6	Very high	75 Å²	75	39.7 Å²	39.7	35%	0.35	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	128	176.6	178	173.1	-162.5	0	0	111.9	K866 S892 S894 S896 A901	K866-E899 WeakPolarHBondContact CE-OE2 3.31Å; K866-E899 IonicContact NZ-OE2 3.25Å; K866-E899 PolarHBondContact NZ-OE2 2.76Å; S892-E899 CarbonylContact O-C 3.49Å; S892-E899 WeakPolarHBondContact O-CA 3.47Å; S894-E899 WeakPolarHBondContact CA-OE1 3.38Å; S894-E899 VanDerWaalsContact CB-OE1 3.29Å; S894-E899 WeakPolarHBondContact CB-OE1 3.19Å; S896-E899 PolarHBondContact O-N 3.19Å; E899-A901 VanDerWaalsContact C-N 3.33Å
900	G	91.8	Very high	91.8	Very high	63 Å²	63	46.5 Å²	46.5	65%	0.649	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	78	13.5	-176.4	0	0	0	0	0	114.3	S892 L898	S892-G900 PolarHBondContact O-N 3.38Å; L898-G900 PolarHBondContact O-N 2.93Å
901	A	94.7	Very high	90.8	Very high	10 Å²	10	48.2 Å²	48.2	8%	0.083	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-64	141.4	177.3	0	0	0	0	0	112.5	A870 I872 L898 E899	A870-A901 HydrophobicContact CB-CB 3.79Å; A870-A901 CarbonylContact O-C 3.57Å; A870-A901 WeakPolarHBondContact O-CA 3.38Å; A870-A901 WeakPolarHBondContact O-CB 3.29Å; I872-A901 HydrophobicContact CD1-CB 3.69Å; I872-A901 HydrophobicContact CG1-CB 3.82Å; L898-A901 HydrophobicContact CB-CB 4.05Å; L898-A901 WeakPolarHBondContact O-CB 3.11Å; L898-A901 PolarHBondContact O-N 3.36Å; E899-A901 VanDerWaalsContact C-N 3.33Å
902	Q	95.7	Very high	89.8	Confident	107 Å²	107	51.9 Å²	51.9	50%	0.5	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	128.4	173.2	-73.3	-178.8	-7.3	0	0	109.8	A870 V871 I872 T934	A870-Q902 PolarHBondContact O-N 3.3Å; V871-Q902 WeakPolarHBondContact CA-O 3.46Å; V871-Q902 HydrophobicContact CG2-CB 4.46Å; I872-Q902 PolarHBondContact N-O 2.8Å; Q902-T934 VanDerWaalsContact CB-OG1 3.31Å; Q902-T934 WeakPolarHBondContact CB-OG1 3.43Å
903	L	95.7	Very high	89	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	124.5	178.3	-57.9	-177.1	0	0	0	109.9	I872 I931 Y933 T934	I872-L903 HydrophobicContact CB-CD2 3.66Å; I872-L903 HydrophobicContact CD1-CD2 3.83Å; I872-L903 HydrophobicContact CG1-CD2 4.22Å; I872-L903 HydrophobicContact CG2-CD2 4.12Å; I872-L903 WeakPolarHBondContact O-CA 3.46Å; L903-I931 HydrophobicContact CD1-CG2 3.68Å; L903-Y933 CarbonylContact O-C 3.57Å; L903-Y933 WeakPolarHBondContact O-CA 3.32Å; L903-T934 PolarHBondContact O-N 3.22Å
904	R	95.9	Very high	88.5	Confident	64 Å²	64	57.1 Å²	57.1	24%	0.242	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	122.6	167.5	-58.3	-173	-59.8	173.2	6.3	108.7	V871 I872 D873 V874 F906 D935 Y1004 T1008	V871-R904 HydrophobicContact CG1-CG 4.36Å; I872-R904 PolarHBondContact O-N 3.34Å; D873-R904 IonicContact OD1-CZ 2.91Å; D873-R904 VanDerWaalsContact OD1-CZ 3.27Å; D873-R904 IonicContact OD1-NE 2.65Å; D873-R904 PolarHBondContact OD1-NE 3.49Å; D873-R904 IonicContact OD1-NH2 3.8Å; D873-R904 PolarHBondContact OD1-NH2 2.52Å; D873-R904 IonicContact OD2-CZ 2.95Å; D873-R904 IonicContact OD2-NE 3.11Å; D873-R904 IonicContact OD2-NH2 3.82Å; D873-R904 PolarHBondContact OD2-NH2 2.82Å; V874-R904 PolarHBondContact N-O 3.27Å; R904-F906 HydrophobicContact CB-CE2 3.83Å; R904-F906 HydrophobicContact CB-CZ 4.43Å; R904-D935 WeakPolarHBondContact CA-O 3.34Å; R904-D935 HydrophobicContact CG-CB 4.48Å; R904-Y1004 PolarHBondContact NH2-O 3.26Å; R904-T1008 VanDerWaalsContact NH2-CG2 3.27Å
905	V	94.9	Very high	88.1	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.006	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	124.2	-174.1	-175.3	0	0	0	0	109.5	V874 L885 L922 L926 D935 V936 I937	V874-V905 HydrophobicContact CB-CG2 4.41Å; V874-V905 CarbonylContact O-C 3.28Å; V874-V905 WeakPolarHBondContact O-CA 3.28Å; L885-V905 HydrophobicContact CD2-CG1 4.16Å; L885-V905 HydrophobicContact CD2-CG2 4.28Å; V905-L922 HydrophobicContact CG1-CD2 4.23Å; V905-L926 HydrophobicContact CB-CD1 4.27Å; V905-L926 HydrophobicContact CG1-CD1 4.5Å; V905-L926 HydrophobicContact CG2-CD1 3.89Å; V905-D935 PolarHBondContact N-O 3.49Å; V905-V936 HydrophobicContact CB-CG2 4.45Å; V905-V936 CarbonylContact O-C 3.55Å; V905-V936 WeakPolarHBondContact O-CA 3.48Å; V905-I937 PolarHBondContact O-N 2.83Å
906	F	93.5	Very high	87.9	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	126.7	177.1	-61.5	-99.9	0	0	0	108.7	D873 V874 W875 W876 R904 I937 Y1004	D873-F906 HydrophobicContact CB-CD2 4.38Å; D873-F906 HydrophobicContact CB-CE2 3.94Å; V874-F906 PolarHBondContact O-N 3.26Å; W875-F906 HydrophobicContact CD2-CB 3.77Å; W875-F906 HydrophobicContact CD2-CD2 4.31Å; W875-F906 HydrophobicContact CD2-CG 4.02Å; W875-F906 AromaticContact CE2-CD2 3.89Å; W875-F906 AromaticContact CE2-CG 3.81Å; W875-F906 HydrophobicContact CE3-CB 3.82Å; W875-F906 HydrophobicContact CE3-CG 4.32Å; W875-F906 HydrophobicContact CG-CB 4.19Å; W875-F906 HydrophobicContact CG-CD2 4.49Å; W875-F906 AromaticContact CH2-CD1 3.97Å; W875-F906 HydrophobicContact CH2-CD1 3.97Å; W875-F906 HydrophobicContact CH2-CE1 4.44Å; W875-F906 HydrophobicContact CH2-CG 4.28Å; W875-F906 HydrophobicContact CZ2-CB 4.49Å; W875-F906 AromaticContact CZ2-CD1 3.88Å; W875-F906 HydrophobicContact CZ2-CD1 3.88Å; W875-F906 HydrophobicContact CZ2-CD2 4.28Å; W875-F906 HydrophobicContact CZ2-CE1 4.11Å; W875-F906 AromaticContact CZ2-CG 3.97Å; W875-F906 HydrophobicContact CZ2-CG 3.97Å; W875-F906 HydrophobicContact CZ2-CZ 4.43Å; W875-F906 HydrophobicContact CZ3-CB 4.22Å; W875-F906 HydrophobicContact CZ3-CD1 4.42Å; W875-F906 HydrophobicContact CZ3-CG 4.47Å; W875-F906 AromaticContact NE1-CD2 3.8Å; W876-F906 PolarHBondContact N-O 2.92Å; R904-F906 HydrophobicContact CB-CE2 3.83Å; R904-F906 HydrophobicContact CB-CZ 4.43Å; F906-I937 WeakPolarHBondContact CA-O 3.22Å; F906-I937 HydrophobicContact CD1-CB 3.81Å; F906-I937 HydrophobicContact CD1-CD1 4.06Å; F906-I937 HydrophobicContact CD1-CG2 4.03Å; F906-I937 HydrophobicContact CE1-CB 4.01Å; F906-I937 HydrophobicContact CE1-CD1 3.34Å; F906-I937 HydrophobicContact CE1-CG1 4.25Å; F906-I937 HydrophobicContact CE1-CG2 4.22Å; F906-I937 HydrophobicContact CZ-CD1 3.68Å; F906-Y1004 HydrophobicContact CE1-CD1 4.25Å; F906-Y1004 HydrophobicContact CE1-CG 4.08Å
907	T	89.8	Confident	87.6	Confident	23 Å²	23	62.8 Å²	62.8	14%	0.141	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	160.5	173.2	-171.6	0	0	0	0	110.3	W876 L922 I937 V938 L939	W876-T907 PolarHBondContact O-OG1 2.92Å; T907-L922 HydrophobicContact CG2-CD2 3.58Å; T907-I937 PolarHBondContact N-O 2.94Å; T907-V938 HydrophobicContact CG2-CB 4.28Å; T907-V938 HydrophobicContact CG2-CG1 4.24Å; T907-V938 HydrophobicContact CG2-CG2 3.76Å; T907-L939 PolarHBondContact O-N 3.48Å
908	K	86.1	Confident	87.2	Confident	89 Å²	89	64.2 Å²	64.2	39%	0.387	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	141.9	170.2	71.6	-172.5	-172.5	-162.1	0	109.1	F877 M942	F877-K908 HydrophobicContact CD1-CB 4.28Å; F877-K908 HydrophobicContact CE1-CB 4.41Å; F877-K908 VanDerWaalsContact O-CE 3.3Å; F877-K908 WeakPolarHBondContact O-CE 3.32Å; F877-K908 PolarHBondContact O-NZ 2.85Å; K908-M942 HydrophobicContact CB-CE 3.81Å; K908-M942 HydrophobicContact CD-CE 3.91Å; K908-M942 HydrophobicContact CG-CE 4.48Å
909	A	80.9	Confident	86.8	Confident	18 Å²	18	66.8 Å²	66.8	15%	0.149	35%	0.349	C	S	.	.			trans	-65.4	140.5	170.5	0	0	0	0	0	111.1	L915 E918 V938 L939	A909-L915 HydrophobicContact CB-CD2 3.32Å; A909-E918 VanDerWaalsContact CA-OE2 3.24Å; A909-E918 WeakPolarHBondContact CA-OE2 3.27Å; A909-V938 HydrophobicContact CB-CG1 3.85Å; A909-L939 WeakPolarHBondContact CB-O 3.34Å; A909-L939 PolarHBondContact N-O 3.42Å
910	Q	77	Confident	86.7	Confident	179 Å²	179	69.8 Å²	69.8	84%	0.836	36%	0.363	S	S	*	.	S	Bend	trans	-86.7	-44	166	-59	-173.5	12.4	0	0	110.6	E918	Q910-E918 WeakPolarHBondContact CA-OE1 3.27Å; Q910-E918 WeakPolarHBondContact CB-OE1 3.35Å; Q910-E918 VanDerWaalsContact N-CD 3.35Å; Q910-E918 PolarHBondContact N-OE1 2.88Å; Q910-E918 PolarHBondContact N-OE2 2.84Å
911	D	75.3	Confident	86.5	Confident	68 Å²	68	70.8 Å²	70.8	36%	0.364	36%	0.359	S	S	.	.	S	Bend	trans	-114.9	113.9	173.4	-169.6	-8.7	0	0	0	110.4	N913 N914 E918	D911-N913 PolarHBondContact O-N 3.28Å; D911-N913 WeakPolarHBondContact OD1-CB 3.32Å; D911-N913 PolarHBondContact OD1-N 3.04Å; D911-N913 PolarHBondContact OD1-ND2 3.35Å; D911-N914 HydrophobicContact CB-CB 4.48Å; D911-N914 PolarHBondContact O-N 2.88Å; D911-E918 PolarHBondContact N-OE1 2.86Å
912	V	73.1	Confident	86.2	Confident	77 Å²	77	71 Å²	71	47%	0.467	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-64.2	-23.1	-178.8	-169.5	0	0	0	0	111.7	L915 P940	V912-L915 WeakPolarHBondContact O-CG 3.3Å; V912-P940 HydrophobicContact CG1-CB 4.27Å; V912-P940 VanDerWaalsContact CG2-O 3.31Å; V912-P940 WeakPolarHBondContact CG2-O 3.38Å
913	N	78.9	Confident	85.9	Confident	142 Å²	142	68.7 Å²	68.7	76%	0.759	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-77.6	-24.1	-179.7	-58.5	-50.4	0	0	0	112.7	D911	D911-N913 PolarHBondContact O-N 3.28Å; D911-N913 WeakPolarHBondContact OD1-CB 3.32Å; D911-N913 PolarHBondContact OD1-N 3.04Å; D911-N913 PolarHBondContact OD1-ND2 3.35Å
914	N	81.4	Confident	85.6	Confident	66 Å²	66	71 Å²	71	35%	0.353	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-118.7	38.2	-168.2	-68.6	2.3	0	0	0	113.3	D911 M916 E917 E918	D911-N914 HydrophobicContact CB-CB 4.48Å; D911-N914 PolarHBondContact O-N 2.88Å; N914-M916 VanDerWaalsContact C-N 3.32Å; N914-M916 PolarHBondContact O-N 3.39Å; N914-E917 HydrophobicContact CB-CB 4.38Å; N914-E917 PolarHBondContact ND2-OE2 2.99Å; N914-E917 PolarHBondContact O-N 3.02Å; N914-E917 VanDerWaalsContact O-N 3.16Å; N914-E918 PolarHBondContact O-N 3.34Å
915	L	82.4	Confident	85.2	Confident	50 Å²	50	70.4 Å²	70.4	26%	0.262	37%	0.368	S	S	.	.	H	α-helix	trans	-56.4	-41.7	-175.6	-55.9	172	0	0	0	113.8	A909 V912 E918 E919 V938 P940	A909-L915 HydrophobicContact CB-CD2 3.32Å; V912-L915 WeakPolarHBondContact O-CG 3.3Å; L915-E918 PolarHBondContact O-N 3.02Å; L915-E919 WeakPolarHBondContact O-CB 3.24Å; L915-E919 PolarHBondContact O-N 3.27Å; L915-V938 HydrophobicContact CD2-CG1 4.16Å; L915-P940 HydrophobicContact CD1-CB 3.67Å; L915-P940 HydrophobicContact CD2-CB 4.03Å; L915-P940 HydrophobicContact CG-CB 4.49Å
916	M	85	Confident	85	Confident	151 Å²	151	70.4 Å²	70.4	74%	0.744	37%	0.368	S	S	*	.	H	α-helix	trans	-65.5	-41.1	180	-70.6	-172.9	180	0	0	111.5	N914 E919 E920	N914-M916 VanDerWaalsContact C-N 3.32Å; N914-M916 PolarHBondContact O-N 3.39Å; M916-E919 WeakPolarHBondContact O-CB 3.42Å; M916-E919 PolarHBondContact O-N 2.95Å; M916-E920 WeakPolarHBondContact O-CG 3.46Å; M916-E920 PolarHBondContact O-N 3.48Å
917	E	85.5	Confident	84.8	Confident	123 Å²	123	73.2 Å²	73.2	58%	0.575	39%	0.391	S	S	*	.	H	α-helix	trans	-66.3	-40	177.7	-63.6	-177	169.7	0	0	111.5	N914 E919 E920 S921	N914-E917 HydrophobicContact CB-CB 4.38Å; N914-E917 PolarHBondContact ND2-OE2 2.99Å; N914-E917 PolarHBondContact O-N 3.02Å; N914-E917 VanDerWaalsContact O-N 3.16Å; E917-E919 VanDerWaalsContact C-N 3.34Å; E917-E920 PolarHBondContact O-N 3.18Å; E917-S921 WeakPolarHBondContact O-CB 3.42Å; E917-S921 PolarHBondContact O-N 2.97Å
918	E	84.4	Confident	84.7	Confident	41 Å²	41	77.8 Å²	77.8	19%	0.192	41%	0.409	C	S	.	.	H	α-helix	trans	-63.9	-39.5	174.4	-72.8	-163.3	-162.6	0	0	112.2	A909 Q910 D911 N914 L915 S921 L922 V938	A909-E918 VanDerWaalsContact CA-OE2 3.24Å; A909-E918 WeakPolarHBondContact CA-OE2 3.27Å; Q910-E918 WeakPolarHBondContact CA-OE1 3.27Å; Q910-E918 WeakPolarHBondContact CB-OE1 3.35Å; Q910-E918 VanDerWaalsContact N-CD 3.35Å; Q910-E918 PolarHBondContact N-OE1 2.88Å; Q910-E918 PolarHBondContact N-OE2 2.84Å; D911-E918 PolarHBondContact N-OE1 2.86Å; N914-E918 PolarHBondContact O-N 3.34Å; L915-E918 PolarHBondContact O-N 3.02Å; E918-S921 PolarHBondContact O-N 2.97Å; E918-L922 WeakPolarHBondContact O-CB 3.27Å; E918-L922 PolarHBondContact O-N 2.63Å; E918-V938 HydrophobicContact CB-CG1 4.34Å; E918-V938 HydrophobicContact CB-CG2 4.48Å
919	E	88.9	Confident	84.8	Confident	55 Å²	55	75.5 Å²	75.5	26%	0.257	40%	0.399	S	S	.	.	H	α-helix	trans	-63.3	-47.8	176.2	-168.9	-171.8	136.7	0	0	111.1	L915 M916 E917 L922 K923 V936 V938	L915-E919 WeakPolarHBondContact O-CB 3.24Å; L915-E919 PolarHBondContact O-N 3.27Å; M916-E919 WeakPolarHBondContact O-CB 3.42Å; M916-E919 PolarHBondContact O-N 2.95Å; E917-E919 VanDerWaalsContact C-N 3.34Å; E919-L922 PolarHBondContact O-N 2.94Å; E919-K923 HydrophobicContact CG-CD 4.27Å; E919-K923 WeakPolarHBondContact O-CB 3.45Å; E919-K923 VanDerWaalsContact O-CG 3.23Å; E919-K923 WeakPolarHBondContact O-CG 3.43Å; E919-K923 PolarHBondContact O-N 2.7Å; E919-K923 VanDerWaalsContact OE1-CE 3.27Å; E919-K923 WeakPolarHBondContact OE1-CE 3.19Å; E919-K923 IonicContact OE1-NZ 2.89Å; E919-K923 PolarHBondContact OE1-NZ 2.87Å; E919-V936 HydrophobicContact CG-CB 4.45Å; E919-V936 HydrophobicContact CG-CG1 4.26Å; E919-V938 HydrophobicContact CB-CG2 3.65Å; E919-V938 HydrophobicContact CG-CG2 4.13Å
920	E	89.5	Confident	85.2	Confident	138 Å²	138	83.8 Å²	83.8	65%	0.645	43%	0.427	S	S	*	.	H	α-helix	trans	-63.9	-41.1	177	-73.6	-173.1	172.4	0	0	112.3	M916 E917 K923 A924	M916-E920 WeakPolarHBondContact O-CG 3.46Å; M916-E920 PolarHBondContact O-N 3.48Å; E917-E920 PolarHBondContact O-N 3.18Å; E920-K923 PolarHBondContact O-N 3.25Å; E920-A924 WeakPolarHBondContact O-CB 2.92Å; E920-A924 PolarHBondContact O-N 2.7Å
921	S	87.5	Confident	85.7	Confident	83 Å²	83	75.5 Å²	75.5	58%	0.58	39%	0.388	S	S	*	.	H	α-helix	trans	-61.7	-45.5	176.6	-177.1	0	0	0	0	111.6	E917 E918 A924 L925	E917-S921 WeakPolarHBondContact O-CB 3.42Å; E917-S921 PolarHBondContact O-N 2.97Å; E918-S921 PolarHBondContact O-N 2.97Å; S921-A924 PolarHBondContact O-N 3.49Å; S921-L925 WeakPolarHBondContact O-CB 3.19Å; S921-L925 PolarHBondContact O-N 3.46Å
922	L	87.8	Confident	86.4	Confident	14 Å²	14	77 Å²	77	7%	0.073	40%	0.404	C	S	.	.	H	α-helix	trans	-67.7	-40.7	176.8	-178.5	57.2	0	0	0	111.8	W876 V905 T907 E918 E919 A924 L925 L926 V936	W876-L922 HydrophobicContact CE3-CD1 4.29Å; W876-L922 HydrophobicContact CZ3-CD1 3.88Å; V905-L922 HydrophobicContact CG1-CD2 4.23Å; T907-L922 HydrophobicContact CG2-CD2 3.58Å; E918-L922 WeakPolarHBondContact O-CB 3.27Å; E918-L922 PolarHBondContact O-N 2.63Å; E919-L922 PolarHBondContact O-N 2.94Å; L922-A924 VanDerWaalsContact C-N 3.34Å; L922-A924 PolarHBondContact O-N 3.22Å; L922-L925 HydrophobicContact CD1-CD2 4.43Å; L922-L925 PolarHBondContact O-N 2.85Å; L922-L926 HydrophobicContact CD1-CD1 4.45Å; L922-L926 HydrophobicContact CD1-CG 4.22Å; L922-L926 HydrophobicContact CG-CD1 4.27Å; L922-L926 HydrophobicContact CG-CG 4.49Å; L922-L926 WeakPolarHBondContact O-CG 3.42Å; L922-L926 PolarHBondContact O-N 3.1Å; L922-V936 HydrophobicContact CB-CG1 4.26Å; L922-V936 HydrophobicContact CD2-CG1 3.58Å; L922-V936 HydrophobicContact CG-CG1 3.96Å
923	K	91.3	Very high	87.3	Confident	60 Å²	60	76.8 Å²	76.8	26%	0.261	40%	0.395	S	S	.	.	H	α-helix	trans	-57.7	-46.6	172.8	-78	175.5	172.1	174.1	0	111.2	E919 E920 L925 L926 A927 Y933 V936	E919-K923 HydrophobicContact CG-CD 4.27Å; E919-K923 WeakPolarHBondContact O-CB 3.45Å; E919-K923 VanDerWaalsContact O-CG 3.23Å; E919-K923 WeakPolarHBondContact O-CG 3.43Å; E919-K923 PolarHBondContact O-N 2.7Å; E919-K923 VanDerWaalsContact OE1-CE 3.27Å; E919-K923 WeakPolarHBondContact OE1-CE 3.19Å; E919-K923 IonicContact OE1-NZ 2.89Å; E919-K923 PolarHBondContact OE1-NZ 2.87Å; E920-K923 PolarHBondContact O-N 3.25Å; K923-L925 VanDerWaalsContact C-N 3.34Å; K923-L925 PolarHBondContact O-N 3.48Å; K923-L926 PolarHBondContact O-N 3.15Å; K923-A927 WeakPolarHBondContact O-CB 3.41Å; K923-A927 PolarHBondContact O-N 3.38Å; K923-Y933 WeakPolarHBondContact CB-OH 3.48Å; K923-Y933 HydrophobicContact CG-CE2 4.05Å; K923-Y933 WeakPolarHBondContact CG-OH 3.31Å; K923-V936 HydrophobicContact CG-CB 3.96Å; K923-V936 HydrophobicContact CG-CG1 4.47Å; K923-V936 HydrophobicContact CG-CG2 3.76Å
924	A	89	Confident	87.9	Confident	49 Å²	49	73.7 Å²	73.7	41%	0.405	38%	0.381	S	S	.	.	H	α-helix	trans	-62.4	-40.2	176.2	0	0	0	0	0	111.9	E920 S921 L922 A927 K928	E920-A924 WeakPolarHBondContact O-CB 2.92Å; E920-A924 PolarHBondContact O-N 2.7Å; S921-A924 PolarHBondContact O-N 3.49Å; L922-A924 VanDerWaalsContact C-N 3.34Å; L922-A924 PolarHBondContact O-N 3.22Å; A924-A927 PolarHBondContact O-N 3.22Å; A924-K928 VanDerWaalsContact O-CG 3.31Å; A924-K928 WeakPolarHBondContact O-CG 3.27Å; A924-K928 PolarHBondContact O-N 3.09Å
925	L	87.6	Confident	88.4	Confident	52 Å²	52	73.8 Å²	73.8	27%	0.272	38%	0.382	S	S	.	.	H	α-helix	trans	-65.1	-46.6	176.8	-174.7	65.9	0	0	0	112.2	S921 L922 K923 A927 K928 F929 F1055	S921-L925 WeakPolarHBondContact O-CB 3.19Å; S921-L925 PolarHBondContact O-N 3.46Å; L922-L925 HydrophobicContact CD1-CD2 4.43Å; L922-L925 PolarHBondContact O-N 2.85Å; K923-L925 VanDerWaalsContact C-N 3.34Å; K923-L925 PolarHBondContact O-N 3.48Å; L925-A927 VanDerWaalsContact C-N 3.33Å; L925-A927 PolarHBondContact O-N 3.36Å; L925-K928 WeakPolarHBondContact O-CB 3.21Å; L925-K928 PolarHBondContact O-N 2.99Å; L925-F929 HydrophobicContact CD1-CD2 4.49Å; L925-F929 HydrophobicContact CD1-CE1 4.33Å; L925-F929 HydrophobicContact CD1-CE2 3.78Å; L925-F929 HydrophobicContact CD1-CZ 3.68Å; L925-F929 HydrophobicContact CD2-CE2 3.95Å; L925-F929 HydrophobicContact CD2-CZ 4.45Å; L925-F929 HydrophobicContact CG-CD2 4.09Å; L925-F929 HydrophobicContact CG-CE2 3.55Å; L925-F929 HydrophobicContact CG-CZ 4.01Å; L925-F929 WeakPolarHBondContact O-CD2 3.01Å; L925-F929 PolarHBondContact O-N 2.91Å; L925-F1055 HydrophobicContact CD1-CD1 4.49Å
926	L	90	Very high	88.8	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-63.6	-38.7	176.9	-69.5	173.8	0	0	0	111.9	L885 V905 L922 K923 F929 R930 I931 Y933 V936	L885-L926 HydrophobicContact CD1-CD2 3.99Å; L885-L926 HydrophobicContact CD2-CD2 3.99Å; V905-L926 HydrophobicContact CB-CD1 4.27Å; V905-L926 HydrophobicContact CG1-CD1 4.5Å; V905-L926 HydrophobicContact CG2-CD1 3.89Å; L922-L926 HydrophobicContact CD1-CD1 4.45Å; L922-L926 HydrophobicContact CD1-CG 4.22Å; L922-L926 HydrophobicContact CG-CD1 4.27Å; L922-L926 HydrophobicContact CG-CG 4.49Å; L922-L926 WeakPolarHBondContact O-CG 3.42Å; L922-L926 PolarHBondContact O-N 3.1Å; K923-L926 PolarHBondContact O-N 3.15Å; L926-F929 CarbonylContact O-C 3.6Å; L926-F929 PolarHBondContact O-N 3.43Å; L926-R930 PolarHBondContact O-N 3.47Å; L926-I931 HydrophobicContact CD2-CB 4.38Å; L926-I931 HydrophobicContact CD2-CD1 4.35Å; L926-I931 PolarHBondContact O-N 2.88Å; L926-Y933 HydrophobicContact CB-CD1 3.73Å; L926-Y933 HydrophobicContact CB-CE1 3.7Å; L926-Y933 HydrophobicContact CD1-CD1 3.77Å; L926-Y933 HydrophobicContact CD1-CE1 4.17Å; L926-Y933 HydrophobicContact CD1-CG 4.17Å; L926-Y933 HydrophobicContact CG-CD1 4.39Å; L926-V936 HydrophobicContact CD1-CG2 3.77Å
927	A	88.7	Confident	89.1	Confident	60 Å²	60	66 Å²	66	50%	0.496	34%	0.343	S	S	.	.	H	α-helix	trans	-61.6	-42.5	172.9	0	0	0	0	0	111.6	K923 A924 L925 F929 R930	K923-A927 WeakPolarHBondContact O-CB 3.41Å; K923-A927 PolarHBondContact O-N 3.38Å; A924-A927 PolarHBondContact O-N 3.22Å; L925-A927 VanDerWaalsContact C-N 3.33Å; L925-A927 PolarHBondContact O-N 3.36Å; A927-F929 VanDerWaalsContact C-N 3.35Å; A927-F929 PolarHBondContact O-N 3.12Å; A927-R930 WeakPolarHBondContact O-CA 3.19Å; A927-R930 PolarHBondContact O-N 3.12Å
928	K	88	Confident	89.2	Confident	118 Å²	118	60.9 Å²	60.9	51%	0.513	32%	0.32	S	S	.	.	H	α-helix	trans	-62.9	-37.8	174.2	-76.6	177.4	-179.3	-179.9	0	112.7	A924 L925 R930 F1055	A924-K928 VanDerWaalsContact O-CG 3.31Å; A924-K928 WeakPolarHBondContact O-CG 3.27Å; A924-K928 PolarHBondContact O-N 3.09Å; L925-K928 WeakPolarHBondContact O-CB 3.21Å; L925-K928 PolarHBondContact O-N 2.99Å; K928-R930 PolarHBondContact O-N 3.44Å; K928-F1055 HydrophobicContact CB-CB 3.73Å; K928-F1055 HydrophobicContact CB-CG 4.13Å; K928-F1055 HydrophobicContact CD-CD1 4.47Å; K928-F1055 HydrophobicContact CD-CD2 4.39Å; K928-F1055 HydrophobicContact CD-CG 4.29Å
929	F	88.2	Confident	89.2	Confident	41 Å²	41	59.4 Å²	59.4	18%	0.18	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-7.2	171.7	-63.8	-34.8	0	0	0	113.7	L925 L926 A927 I931 L1053 F1055	L925-F929 HydrophobicContact CD1-CD2 4.49Å; L925-F929 HydrophobicContact CD1-CE1 4.33Å; L925-F929 HydrophobicContact CD1-CE2 3.78Å; L925-F929 HydrophobicContact CD1-CZ 3.68Å; L925-F929 HydrophobicContact CD2-CE2 3.95Å; L925-F929 HydrophobicContact CD2-CZ 4.45Å; L925-F929 HydrophobicContact CG-CD2 4.09Å; L925-F929 HydrophobicContact CG-CE2 3.55Å; L925-F929 HydrophobicContact CG-CZ 4.01Å; L925-F929 WeakPolarHBondContact O-CD2 3.01Å; L925-F929 PolarHBondContact O-N 2.91Å; L926-F929 CarbonylContact O-C 3.6Å; L926-F929 PolarHBondContact O-N 3.43Å; A927-F929 VanDerWaalsContact C-N 3.35Å; A927-F929 PolarHBondContact O-N 3.12Å; F929-I931 HydrophobicContact CB-CD1 3.99Å; F929-I931 HydrophobicContact CB-CG1 3.96Å; F929-I931 PolarHBondContact O-N 3.37Å; F929-L1053 HydrophobicContact CD1-CB 4.31Å; F929-L1053 HydrophobicContact CD2-CD1 4.24Å; F929-L1053 HydrophobicContact CE1-CB 4.1Å; F929-L1053 HydrophobicContact CE2-CB 4.33Å; F929-L1053 HydrophobicContact CE2-CD1 4.4Å; F929-L1053 HydrophobicContact CZ-CB 4.11Å; F929-F1055 HydrophobicContact CD1-CB 4.12Å; F929-F1055 HydrophobicContact CE1-CB 4.3Å; F929-F1055 AromaticContact CE1-CD1 3.91Å; F929-F1055 HydrophobicContact CE1-CD1 3.91Å
930	R	88.8	Confident	88.4	Confident	192 Å²	192	59.8 Å²	59.8	73%	0.725	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	35.1	-175.3	-56.1	-177.1	176.4	176.6	-0.8	112.9	L926 A927 K928	L926-R930 PolarHBondContact O-N 3.47Å; A927-R930 WeakPolarHBondContact O-CA 3.19Å; A927-R930 PolarHBondContact O-N 3.12Å; K928-R930 PolarHBondContact O-N 3.44Å
931	I	89.3	Confident	87.3	Confident	6 Å²	6	57 Å²	57	3%	0.031	31%	0.31	C	S	.	.			trans	-89.3	111.2	173.6	-63	176.3	0	0	0	107.4	L885 H889 L903 L926 F929 Y933 L1053	L885-I931 HydrophobicContact CB-CD1 4.24Å; H889-I931 HydrophobicContact CB-CD1 4.39Å; H889-I931 HydrophobicContact CB-CG1 4.34Å; H889-I931 HydrophobicContact CB-CG2 4.31Å; L903-I931 HydrophobicContact CD1-CG2 3.68Å; L926-I931 HydrophobicContact CD2-CB 4.38Å; L926-I931 HydrophobicContact CD2-CD1 4.35Å; L926-I931 PolarHBondContact O-N 2.88Å; F929-I931 HydrophobicContact CB-CD1 3.99Å; F929-I931 HydrophobicContact CB-CG1 3.96Å; F929-I931 PolarHBondContact O-N 3.37Å; I931-Y933 WeakPolarHBondContact O-CD1 3.25Å; I931-Y933 PolarHBondContact O-N 2.78Å; I931-L1053 HydrophobicContact CD1-CD1 4.05Å
932	S	88.9	Confident	86.2	Confident	98 Å²	98	54.4 Å²	54.4	69%	0.685	29%	0.289	S	S	*	.			trans	-67.4	123.1	173.8	-56.4	0	0	0	0	110.4
933	Y	91.5	Very high	85.2	Confident	74 Å²	74	58.5 Å²	58.5	29%	0.29	31%	0.311	S	S	.	.			trans	-125.9	157.3	175.7	62	-91.5	0	0	0	110.1	L903 K923 L926 I931 V936	L903-Y933 CarbonylContact O-C 3.57Å; L903-Y933 WeakPolarHBondContact O-CA 3.32Å; K923-Y933 WeakPolarHBondContact CB-OH 3.48Å; K923-Y933 HydrophobicContact CG-CE2 4.05Å; K923-Y933 WeakPolarHBondContact CG-OH 3.31Å; L926-Y933 HydrophobicContact CB-CD1 3.73Å; L926-Y933 HydrophobicContact CB-CE1 3.7Å; L926-Y933 HydrophobicContact CD1-CD1 3.77Å; L926-Y933 HydrophobicContact CD1-CE1 4.17Å; L926-Y933 HydrophobicContact CD1-CG 4.17Å; L926-Y933 HydrophobicContact CG-CD1 4.39Å; I931-Y933 WeakPolarHBondContact O-CD1 3.25Å; I931-Y933 PolarHBondContact O-N 2.78Å; Y933-V936 HydrophobicContact CD2-CG2 3.62Å; Y933-V936 HydrophobicContact CE2-CG2 3.67Å; Y933-V936 HydrophobicContact CG-CG2 4.15Å
934	T	92.7	Very high	84.6	Confident	77 Å²	77	58.8 Å²	58.8	47%	0.472	32%	0.321	S	S	.	.	S	Bend	trans	-93.8	-40.6	175.6	-59.4	0	0	0	0	110.8	Q902 L903	Q902-T934 VanDerWaalsContact CB-OG1 3.31Å; Q902-T934 WeakPolarHBondContact CB-OG1 3.43Å; L903-T934 PolarHBondContact O-N 3.22Å
935	D	91.1	Very high	84.3	Confident	68 Å²	68	63.2 Å²	63.2	36%	0.364	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	154.8	179.9	-156.8	2.5	0	0	0	111.5	R904 V905	R904-D935 WeakPolarHBondContact CA-O 3.34Å; R904-D935 HydrophobicContact CG-CB 4.48Å; V905-D935 PolarHBondContact N-O 3.49Å
936	V	91.2	Very high	84.3	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.006	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	118.8	174.1	178.1	0	0	0	0	107.7	V905 E919 L922 K923 L926 Y933	V905-V936 HydrophobicContact CB-CG2 4.45Å; V905-V936 CarbonylContact O-C 3.55Å; V905-V936 WeakPolarHBondContact O-CA 3.48Å; E919-V936 HydrophobicContact CG-CB 4.45Å; E919-V936 HydrophobicContact CG-CG1 4.26Å; L922-V936 HydrophobicContact CB-CG1 4.26Å; L922-V936 HydrophobicContact CD2-CG1 3.58Å; L922-V936 HydrophobicContact CG-CG1 3.96Å; K923-V936 HydrophobicContact CG-CB 3.96Å; K923-V936 HydrophobicContact CG-CG1 4.47Å; K923-V936 HydrophobicContact CG-CG2 3.76Å; L926-V936 HydrophobicContact CD1-CG2 3.77Å; Y933-V936 HydrophobicContact CD2-CG2 3.62Å; Y933-V936 HydrophobicContact CE2-CG2 3.67Å; Y933-V936 HydrophobicContact CG-CG2 4.15Å
937	I	90.5	Very high	84.3	Confident	37 Å²	37	65.9 Å²	65.9	19%	0.19	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	115.7	-175.3	-62.1	162	0	0	0	108.5	V905 F906 T907 L939	V905-I937 PolarHBondContact O-N 2.83Å; F906-I937 WeakPolarHBondContact CA-O 3.22Å; F906-I937 HydrophobicContact CD1-CB 3.81Å; F906-I937 HydrophobicContact CD1-CD1 4.06Å; F906-I937 HydrophobicContact CD1-CG2 4.03Å; F906-I937 HydrophobicContact CE1-CB 4.01Å; F906-I937 HydrophobicContact CE1-CD1 3.34Å; F906-I937 HydrophobicContact CE1-CG1 4.25Å; F906-I937 HydrophobicContact CE1-CG2 4.22Å; F906-I937 HydrophobicContact CZ-CD1 3.68Å; T907-I937 PolarHBondContact N-O 2.94Å; I937-L939 HydrophobicContact CG2-CD2 4.1Å
938	V	88.2	Confident	84.5	Confident	15 Å²	15	68.6 Å²	68.6	9%	0.091	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	119.9	174.6	-176.1	0	0	0	0	108.8	T907 A909 L915 E918 E919	T907-V938 HydrophobicContact CG2-CB 4.28Å; T907-V938 HydrophobicContact CG2-CG1 4.24Å; T907-V938 HydrophobicContact CG2-CG2 3.76Å; A909-V938 HydrophobicContact CB-CG1 3.85Å; L915-V938 HydrophobicContact CD2-CG1 4.16Å; E918-V938 HydrophobicContact CB-CG1 4.34Å; E918-V938 HydrophobicContact CB-CG2 4.48Å; E919-V938 HydrophobicContact CB-CG2 3.65Å; E919-V938 HydrophobicContact CG-CG2 4.13Å
939	L	85.4	Confident	84.7	Confident	10 Å²	10	68.3 Å²	68.3	5%	0.052	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	122	-176.9	-64.6	168.7	0	0	0	110	W875 F877 T907 A909 I937 D941 L1000 Y1004	W875-L939 HydrophobicContact CE3-CD1 4.34Å; W875-L939 HydrophobicContact CH2-CD1 4.08Å; W875-L939 HydrophobicContact CZ3-CD1 3.48Å; W875-L939 VanDerWaalsContact CZ3-CD1 3.48Å; F877-L939 HydrophobicContact CE1-CD1 4.27Å; F877-L939 HydrophobicContact CZ-CD1 4.28Å; T907-L939 PolarHBondContact O-N 3.48Å; A909-L939 WeakPolarHBondContact CB-O 3.34Å; A909-L939 PolarHBondContact N-O 3.42Å; I937-L939 HydrophobicContact CG2-CD2 4.1Å; L939-D941 PolarHBondContact O-N 3.41Å; L939-L1000 HydrophobicContact CD1-CD1 4.23Å; L939-Y1004 HydrophobicContact CD2-CE2 4.46Å
940	P	72.1	Confident	84.8	Confident	63 Å²	63	67.1 Å²	67.1	41%	0.409	36%	0.362	S	S	.	.			trans	-65.8	-40	-168.5	20.8	-31.7	0	0	0	114.4	V912 L915	V912-P940 HydrophobicContact CG1-CB 4.27Å; V912-P940 VanDerWaalsContact CG2-O 3.31Å; V912-P940 WeakPolarHBondContact CG2-O 3.38Å; L915-P940 HydrophobicContact CD1-CB 3.67Å; L915-P940 HydrophobicContact CD2-CB 4.03Å; L915-P940 HydrophobicContact CG-CB 4.49Å
941	D	65	Low	85	Confident	78 Å²	78	59.9 Å²	59.9	42%	0.417	34%	0.339	S	S	.	.			trans	-155.2	137.1	-177.3	-168.3	10.3	0	0	0	112.1	L939 L943	L939-D941 PolarHBondContact O-N 3.41Å; D941-L943 WeakPolarHBondContact OD1-CB 3.43Å; D941-L943 WeakPolarHBondContact OD1-CG 3.46Å; D941-L943 PolarHBondContact OD1-N 3.09Å
942	M	65.9	Low	85.2	Confident	29 Å²	29	67.6 Å²	67.6	14%	0.143	37%	0.367	C	S	.	.	S	Bend	trans	-114.1	24.4	171	-67.5	-163.7	-67.6	0	0	111.5	F877 K908 L996 L1000	F877-M942 HydrophobicContact CE1-SD 4.39Å; F877-M942 HydrophobicContact CE2-CE 4.41Å; F877-M942 HydrophobicContact CE2-SD 3.94Å; F877-M942 HydrophobicContact CZ-CE 4.34Å; F877-M942 HydrophobicContact CZ-SD 3.75Å; K908-M942 HydrophobicContact CB-CE 3.81Å; K908-M942 HydrophobicContact CD-CE 3.91Å; K908-M942 HydrophobicContact CG-CE 4.48Å; M942-L996 WeakPolarHBondContact O-CD1 3.39Å; M942-L1000 HydrophobicContact CG-CD1 4.42Å
943	L	67	Low	85.3	Confident	101 Å²	101	66.5 Å²	66.5	53%	0.529	35%	0.348	S	S	.	.			trans	-102.8	-3.3	175.9	-58.7	171.9	0	0	0	113.3	D941	D941-L943 WeakPolarHBondContact OD1-CB 3.43Å; D941-L943 WeakPolarHBondContact OD1-CG 3.46Å; D941-L943 PolarHBondContact OD1-N 3.09Å
944	S	76.8	Confident	85.4	Confident	66 Å²	66	63.1 Å²	63.1	46%	0.462	34%	0.335	S	S	.	.	S	Bend	trans	-56.9	154.7	170.8	55.2	0	0	0	0	111.4	L996	S944-L996 WeakPolarHBondContact O-CD1 3.47Å; S944-L996 WeakPolarHBondContact OG-CD2 3.22Å
945	L	83.9	Confident	85.4	Confident	141 Å²	141	62.3 Å²	62.3	74%	0.738	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-75.6	134.2	174.6	-75.6	156.5	0	0	0	109.2
946	P	87.8	Confident	85.5	Confident	10 Å²	10	65.9 Å²	65.9	7%	0.065	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-64.5	156.3	174	27.4	-34.1	0	0	0	110.8	V951 N992 L995 L996	P946-V951 HydrophobicContact CB-CG2 4.15Å; P946-V951 HydrophobicContact CG-CG2 3.6Å; P946-N992 HydrophobicContact CG-CB 4.3Å; P946-L995 HydrophobicContact CB-CB 3.72Å; P946-L995 HydrophobicContact CB-CD1 4.34Å; P946-L995 HydrophobicContact CG-CB 4.09Å; P946-L995 HydrophobicContact CG-CD1 4.02Å; P946-L996 HydrophobicContact CB-CD2 4.15Å; P946-L996 HydrophobicContact CB-CG 4.31Å
947	N	89.9	Confident	85.5	Confident	99 Å²	99	66.1 Å²	66.1	53%	0.529	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-61.7	142.2	176.6	-65	-52.4	0	0	0	110.8	V949 T950 V951 E999	N947-V949 PolarHBondContact O-N 3.11Å; N947-T950 WeakPolarHBondContact O-CB 3.21Å; N947-T950 PolarHBondContact O-N 3.05Å; N947-V951 PolarHBondContact O-N 3.24Å; N947-V951 VanDerWaalsContact O-N 3.1Å; N947-E999 VanDerWaalsContact CB-OE1 3.26Å; N947-E999 WeakPolarHBondContact CB-OE1 3.49Å; N947-E999 PolarHBondContact N-OE1 3.05Å; N947-E999 VanDerWaalsContact ND2-CD 3.31Å; N947-E999 PolarHBondContact ND2-OE1 2.85Å; N947-E999 PolarHBondContact ND2-OE2 2.96Å
948	D	91.6	Very high	85.5	Confident	117 Å²	117	64.5 Å²	64.5	63%	0.626	34%	0.335	S	S	*	.	H	α-helix	trans	-54.1	-32.7	178.8	-71.3	-30.4	0	0	0	112.9	V951 R952	D948-V951 PolarHBondContact O-N 2.6Å; D948-R952 WeakPolarHBondContact O-CB 3.34Å; D948-R952 VanDerWaalsContact O-CG 3.23Å; D948-R952 WeakPolarHBondContact O-CG 3.46Å; D948-R952 PolarHBondContact O-N 3.16Å
949	V	92.2	Very high	85.7	Confident	112 Å²	112	66.7 Å²	66.7	68%	0.679	36%	0.355	S	S	*	.	H	α-helix	trans	-62.1	-44.2	176.4	-179.7	0	0	0	0	111.1	N947 R953	N947-V949 PolarHBondContact O-N 3.11Å; V949-R953 WeakPolarHBondContact O-CB 3.34Å; V949-R953 PolarHBondContact O-N 3.03Å
950	T	91.2	Very high	85.9	Confident	15 Å²	15	70.8 Å²	70.8	9%	0.092	38%	0.383	C	S	.	.	H	α-helix	trans	-69.4	-41.4	-179.8	-51.1	0	0	0	0	110.9	N947 R953 F954 L995 E999	N947-T950 WeakPolarHBondContact O-CB 3.21Å; N947-T950 PolarHBondContact O-N 3.05Å; T950-R953 PolarHBondContact O-N 3.37Å; T950-F954 PolarHBondContact O-N 3.22Å; T950-L995 HydrophobicContact CG2-CB 3.9Å; T950-L995 HydrophobicContact CG2-CD2 4.12Å; T950-L995 HydrophobicContact CG2-CG 4.41Å; T950-E999 WeakPolarHBondContact CB-OE1 3.33Å; T950-E999 HydrophobicContact CG2-CG 4.24Å; T950-E999 PolarHBondContact OG1-OE1 3.45Å
951	V	92.1	Very high	86.7	Confident	40 Å²	40	68.8 Å²	68.8	24%	0.242	37%	0.367	C	S	.	.	H	α-helix	trans	-60.2	-52.9	175.1	179.2	0	0	0	0	110.6	P946 N947 D948 R953 F954 D955 L995	P946-V951 HydrophobicContact CB-CG2 4.15Å; P946-V951 HydrophobicContact CG-CG2 3.6Å; N947-V951 PolarHBondContact O-N 3.24Å; N947-V951 VanDerWaalsContact O-N 3.1Å; D948-V951 PolarHBondContact O-N 2.6Å; V951-R953 PolarHBondContact O-N 2.97Å; V951-F954 WeakPolarHBondContact O-CB 3.44Å; V951-F954 PolarHBondContact O-N 2.91Å; V951-D955 PolarHBondContact O-N 3.2Å; V951-L995 HydrophobicContact CB-CD1 4.49Å; V951-L995 HydrophobicContact CG2-CD1 3.95Å
952	R	93.7	Very high	87.8	Confident	168 Å²	168	68.6 Å²	68.6	63%	0.634	37%	0.366	S	S	*	.	H	α-helix	trans	-57.5	-38.8	177.4	-72.9	174.6	-172.6	179.6	4.7	112.1	D948 D955 Q956	D948-R952 WeakPolarHBondContact O-CB 3.34Å; D948-R952 VanDerWaalsContact O-CG 3.23Å; D948-R952 WeakPolarHBondContact O-CG 3.46Å; D948-R952 PolarHBondContact O-N 3.16Å; R952-D955 PolarHBondContact O-N 2.97Å; R952-Q956 WeakPolarHBondContact O-CB 3.43Å; R952-Q956 VanDerWaalsContact O-CG 3.27Å; R952-Q956 WeakPolarHBondContact O-CG 3.31Å; R952-Q956 PolarHBondContact O-N 2.9Å
953	R	91.6	Very high	88.8	Confident	76 Å²	76	70.2 Å²	70.2	29%	0.287	37%	0.371	S	S	.	.	H	α-helix	trans	-67.3	-37.3	178.2	-164.2	172.5	-167.6	-164.6	-1.2	112.1	V949 T950 V951 L957 R1037 D1038	V949-R953 WeakPolarHBondContact O-CB 3.34Å; V949-R953 PolarHBondContact O-N 3.03Å; T950-R953 PolarHBondContact O-N 3.37Å; V951-R953 PolarHBondContact O-N 2.97Å; R953-L957 WeakPolarHBondContact O-CB 3.2Å; R953-L957 PolarHBondContact O-N 2.8Å; R953-R1037 VanDerWaalsContact NH2-CZ 3.32Å; R953-R1037 VanDerWaalsContact NH2-NE 3.19Å; R953-D1038 IonicContact CZ-OD2 2.58Å; R953-D1038 IonicContact NH1-OD2 2.87Å; R953-D1038 PolarHBondContact NH1-OD2 3.01Å; R953-D1038 VanDerWaalsContact NH1-OD2 3.11Å; R953-D1038 IonicContact NH2-OD2 2.98Å; R953-D1038 PolarHBondContact NH2-OD2 3.32Å
954	F	93.4	Very high	89.6	Confident	2 Å²	2	68.2 Å²	68.2	1%	0.009	36%	0.362	C	S	.	.	H	α-helix	trans	-70.5	-38	174.1	-176.6	-101.8	0	0	0	112.2	T950 V951 L957 T958 I991 L995 L1027 S1030 F1031 I1034	T950-F954 PolarHBondContact O-N 3.22Å; V951-F954 WeakPolarHBondContact O-CB 3.44Å; V951-F954 PolarHBondContact O-N 2.91Å; F954-L957 HydrophobicContact CD2-CD2 4.46Å; F954-L957 WeakPolarHBondContact O-CB 3.37Å; F954-L957 PolarHBondContact O-N 3Å; F954-T958 HydrophobicContact CD1-CG2 4.33Å; F954-T958 HydrophobicContact CD2-CG2 4.44Å; F954-T958 HydrophobicContact CE1-CG2 3.81Å; F954-T958 HydrophobicContact CE2-CG2 3.95Å; F954-T958 HydrophobicContact CZ-CG2 3.6Å; F954-T958 WeakPolarHBondContact O-CG2 3.26Å; F954-T958 PolarHBondContact O-N 3.06Å; F954-T958 PolarHBondContact O-OG1 3.11Å; F954-I991 HydrophobicContact CD1-CG2 3.8Å; F954-I991 HydrophobicContact CE1-CD1 4.28Å; F954-I991 HydrophobicContact CE1-CG1 4.48Å; F954-I991 HydrophobicContact CE1-CG2 3.52Å; F954-I991 HydrophobicContact CZ-CG2 4.1Å; F954-L995 HydrophobicContact CB-CD1 4.31Å; F954-L995 HydrophobicContact CB-CD2 3.64Å; F954-L995 HydrophobicContact CD1-CD2 4.48Å; F954-L995 HydrophobicContact CD2-CD2 3.85Å; F954-L995 HydrophobicContact CG-CD2 3.73Å; F954-L1027 HydrophobicContact CZ-CD1 4.04Å; F954-S1030 VanDerWaalsContact CE2-OG 3.29Å; F954-S1030 WeakPolarHBondContact CE2-OG 3.32Å; F954-S1030 WeakPolarHBondContact CZ-OG 3.2Å; F954-F1031 AromaticContact CE2-CD1 3.97Å; F954-F1031 HydrophobicContact CE2-CD1 3.97Å; F954-F1031 HydrophobicContact CE2-CE1 4.16Å; F954-F1031 AromaticContact CZ-CD1 3.94Å; F954-F1031 HydrophobicContact CZ-CD1 3.94Å; F954-F1031 AromaticContact CZ-CE1 3.65Å; F954-F1031 HydrophobicContact CZ-CE1 3.65Å; F954-I1034 HydrophobicContact CD2-CB 4.19Å; F954-I1034 HydrophobicContact CD2-CG1 4.37Å; F954-I1034 HydrophobicContact CD2-CG2 4.1Å; F954-I1034 HydrophobicContact CE2-CG2 4.31Å
955	D	92.4	Very high	89.6	Confident	60 Å²	60	69 Å²	69	32%	0.321	36%	0.359	S	S	.	.	H	α-helix	trans	-63.1	-44.9	174.2	-67.5	-24.5	0	0	0	111.2	V951 R952 L957 T958 A959 K984	V951-D955 PolarHBondContact O-N 3.2Å; R952-D955 PolarHBondContact O-N 2.97Å; D955-L957 VanDerWaalsContact C-N 3.27Å; D955-L957 PolarHBondContact O-N 2.84Å; D955-T958 PolarHBondContact O-N 2.62Å; D955-T958 PolarHBondContact O-OG1 2.79Å; D955-A959 VanDerWaalsContact O-CB 3.27Å; D955-A959 WeakPolarHBondContact O-CB 3.34Å; D955-A959 PolarHBondContact O-N 3.32Å; D955-K984 WeakPolarHBondContact OD1-CE 3.48Å; D955-K984 IonicContact OD1-NZ 3.42Å; D955-K984 PolarHBondContact OD1-NZ 3.47Å
956	Q	93.3	Very high	89.3	Confident	143 Å²	143	66.8 Å²	66.8	67%	0.668	36%	0.355	S	S	*	.	H	α-helix	trans	-61.7	-34.4	173.1	-73.4	172.9	-1.4	0	0	112.9	R952	R952-Q956 WeakPolarHBondContact O-CB 3.43Å; R952-Q956 VanDerWaalsContact O-CG 3.27Å; R952-Q956 WeakPolarHBondContact O-CG 3.31Å; R952-Q956 PolarHBondContact O-N 2.9Å
957	L	91.4	Very high	88.9	Confident	7 Å²	7	70.4 Å²	70.4	4%	0.037	37%	0.371	C	S	.	.	H	α-helix	trans	-68.9	-37.8	177.5	178	63.1	0	0	0	112.2	W721 R953 F954 D955 E1033	W721-L957 HydrophobicContact CH2-CD1 4.01Å; W721-L957 HydrophobicContact CH2-CG 4.34Å; W721-L957 HydrophobicContact CZ2-CD1 3.95Å; R953-L957 WeakPolarHBondContact O-CB 3.2Å; R953-L957 PolarHBondContact O-N 2.8Å; F954-L957 HydrophobicContact CD2-CD2 4.46Å; F954-L957 WeakPolarHBondContact O-CB 3.37Å; F954-L957 PolarHBondContact O-N 3Å; D955-L957 VanDerWaalsContact C-N 3.27Å; D955-L957 PolarHBondContact O-N 2.84Å; L957-E1033 HydrophobicContact CD1-CG 4.18Å; L957-E1033 HydrophobicContact CD2-CB 4.07Å; L957-E1033 HydrophobicContact CD2-CG 3.78Å
958	T	91.6	Very high	88.3	Confident	2 Å²	2	65.7 Å²	65.7	1%	0.012	35%	0.346	C	S	.	.	H	α-helix	trans	-92.7	-22.2	-174.1	51	0	0	0	0	113.4	F954 D955 P960 F961 L962 I979	F954-T958 HydrophobicContact CD1-CG2 4.33Å; F954-T958 HydrophobicContact CD2-CG2 4.44Å; F954-T958 HydrophobicContact CE1-CG2 3.81Å; F954-T958 HydrophobicContact CE2-CG2 3.95Å; F954-T958 HydrophobicContact CZ-CG2 3.6Å; F954-T958 WeakPolarHBondContact O-CG2 3.26Å; F954-T958 PolarHBondContact O-N 3.06Å; F954-T958 PolarHBondContact O-OG1 3.11Å; D955-T958 PolarHBondContact O-N 2.62Å; D955-T958 PolarHBondContact O-OG1 2.79Å; T958-P960 VanDerWaalsContact C-CD 3.4Å; T958-F961 PolarHBondContact O-N 3.32Å; T958-L962 PolarHBondContact O-N 3.43Å; T958-I979 HydrophobicContact CG2-CD1 3.63Å
959	A	90.6	Very high	87.5	Confident	62 Å²	62	67.4 Å²	67.4	51%	0.512	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-50.3	-42	-178.6	0	0	0	0	0	114.9	D955 F961 L962	D955-A959 VanDerWaalsContact O-CB 3.27Å; D955-A959 WeakPolarHBondContact O-CB 3.34Å; D955-A959 PolarHBondContact O-N 3.32Å; A959-F961 PolarHBondContact O-N 3.14Å; A959-L962 PolarHBondContact O-N 3.03Å
960	P	89.5	Confident	86.7	Confident	96 Å²	96	69.5 Å²	69.5	62%	0.623	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-66.6	-17.2	179.5	-21.2	34.3	0	0	0	114.6	T958	T958-P960 VanDerWaalsContact C-CD 3.4Å
961	F	89.3	Confident	85.8	Confident	21 Å²	21	73.7 Å²	73.7	9%	0.092	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-114.1	9.3	-173.6	-48.5	-69.3	0	0	0	112.3	W721 R722 T958 A959 I979 Y1026	W721-F961 HydrophobicContact CH2-CD2 4.48Å; W721-F961 AromaticContact CH2-CE2 3.91Å; W721-F961 HydrophobicContact CH2-CE2 3.91Å; W721-F961 HydrophobicContact CZ3-CD2 4.07Å; W721-F961 AromaticContact CZ3-CE2 3.57Å; W721-F961 HydrophobicContact CZ3-CE2 3.57Å; W721-F961 AromaticContact CZ3-CZ 3.99Å; W721-F961 HydrophobicContact CZ3-CZ 3.99Å; R722-F961 HydrophobicContact CB-CZ 4.03Å; R722-F961 HydrophobicContact CG-CE2 4.48Å; R722-F961 HydrophobicContact CG-CZ 4.16Å; T958-F961 PolarHBondContact O-N 3.32Å; A959-F961 PolarHBondContact O-N 3.14Å; F961-I979 HydrophobicContact CB-CD1 4.3Å; F961-I979 HydrophobicContact CB-CG1 4.37Å; F961-I979 PolarHBondContact O-N 3.33Å; F961-Y1026 HydrophobicContact CB-CD1 4.34Å; F961-Y1026 HydrophobicContact CB-CD2 3.83Å; F961-Y1026 HydrophobicContact CB-CE2 4.46Å; F961-Y1026 HydrophobicContact CB-CG 3.77Å; F961-Y1026 AromaticContact CD1-CD1 3.58Å; F961-Y1026 HydrophobicContact CD1-CD1 3.58Å; F961-Y1026 AromaticContact CD1-CD2 3.88Å; F961-Y1026 HydrophobicContact CD1-CD2 3.88Å; F961-Y1026 AromaticContact CD1-CE1 3.47Å; F961-Y1026 HydrophobicContact CD1-CE1 3.47Å; F961-Y1026 VanDerWaalsContact CD1-CE1 3.47Å; F961-Y1026 AromaticContact CD1-CE2 3.78Å; F961-Y1026 HydrophobicContact CD1-CE2 3.78Å; F961-Y1026 AromaticContact CD1-CG 3.8Å; F961-Y1026 HydrophobicContact CD1-CG 3.8Å; F961-Y1026 AromaticContact CD1-CZ 3.58Å; F961-Y1026 HydrophobicContact CD2-CD1 4.24Å; F961-Y1026 HydrophobicContact CD2-CG 4.43Å; F961-Y1026 AromaticContact CE1-CD1 3.87Å; F961-Y1026 HydrophobicContact CE1-CD1 3.87Å; F961-Y1026 AromaticContact CE1-CE1 3.48Å; F961-Y1026 HydrophobicContact CE1-CE1 3.48Å; F961-Y1026 VanDerWaalsContact CE1-CE1 3.48Å; F961-Y1026 HydrophobicContact CE1-CE2 4.5Å; F961-Y1026 AromaticContact CE1-CZ 3.85Å; F961-Y1026 HydrophobicContact CE2-CD1 4.49Å; F961-Y1026 AromaticContact CG-CD1 3.78Å; F961-Y1026 HydrophobicContact CG-CD1 3.78Å; F961-Y1026 HydrophobicContact CG-CD2 4.06Å; F961-Y1026 HydrophobicContact CG-CE1 4.17Å; F961-Y1026 HydrophobicContact CG-CE2 4.42Å; F961-Y1026 AromaticContact CG-CG 3.74Å; F961-Y1026 HydrophobicContact CG-CG 3.74Å; F961-Y1026 HydrophobicContact CZ-CD1 4.31Å; F961-Y1026 HydrophobicContact CZ-CE1 4.19Å
962	L	88.7	Confident	84.6	Confident	74 Å²	74	79.3 Å²	79.3	39%	0.387	40%	0.401	S	S	.	.	B	Isolated β-bridge	trans	-83.8	124.9	176.5	-167.3	78.7	0	0	0	109.2	T958 A959 I979 P981	T958-L962 PolarHBondContact O-N 3.43Å; A959-L962 PolarHBondContact O-N 3.03Å; L962-I979 CarbonylContact C-O 3.58Å; L962-I979 VanDerWaalsContact CA-O 3.31Å; L962-I979 WeakPolarHBondContact CA-O 3.44Å; L962-I979 HydrophobicContact CD1-CB 4.23Å; L962-I979 HydrophobicContact CD1-CG2 3.99Å; L962-I979 WeakPolarHBondContact CD1-O 3.46Å; L962-P981 HydrophobicContact CD1-CG 4.26Å; L962-P981 HydrophobicContact CD2-CG 4.47Å; L962-P981 HydrophobicContact CG-CG 4.43Å
963	R	86.7	Confident	83.3	Confident	63 Å²	63	74.4 Å²	74.4	24%	0.238	39%	0.386	C	S	.	.			trans	-129.2	147.2	171.8	-67.2	-162.5	-178.3	174.3	7.6	110.2	E967 L968 E971 E973 F978 I979 P981	R963-E967 WeakPolarHBondContact CA-OE2 3.37Å; R963-L968 HydrophobicContact CB-CD1 4.4Å; R963-L968 HydrophobicContact CB-CD2 3.91Å; R963-L968 HydrophobicContact CB-CG 3.93Å; R963-L968 HydrophobicContact CG-CD2 4.39Å; R963-E971 IonicContact CZ-OE2 2.62Å; R963-E971 IonicContact NE-OE2 2.89Å; R963-E971 IonicContact NH1-OE1 3.66Å; R963-E971 IonicContact NH1-OE2 3.66Å; R963-E971 PolarHBondContact NH1-OE2 2.84Å; R963-E973 IonicContact CZ-OE2 3.06Å; R963-E973 IonicContact NH1-OE1 3.52Å; R963-E973 PolarHBondContact NH1-OE1 3.21Å; R963-E973 IonicContact NH1-OE2 3.48Å; R963-E973 PolarHBondContact NH1-OE2 2.9Å; R963-F978 HydrophobicContact CB-CB 4.33Å; R963-F978 HydrophobicContact CG-CB 4.28Å; R963-F978 HydrophobicContact CG-CD1 3.98Å; R963-F978 HydrophobicContact CG-CG 4.18Å; R963-I979 PolarHBondContact N-O 3.19Å; R963-P981 WeakPolarHBondContact O-CD 3.46Å
964	T	83.3	Confident	82.2	Confident	58 Å²	58	77.8 Å²	77.8	36%	0.356	40%	0.403	S	S	.	.			trans	-75.3	150.8	172.8	64.7	0	0	0	0	110.4	S966 E967 L968	T964-S966 PolarHBondContact O-N 2.76Å; T964-S966 VanDerWaalsContact O-N 3.17Å; T964-E967 PolarHBondContact N-OE2 2.81Å; T964-E967 WeakPolarHBondContact O-CB 3.3Å; T964-E967 PolarHBondContact O-N 2.88Å; T964-E967 WeakPolarHBondContact OG1-CG 3.37Å; T964-E967 PolarHBondContact OG1-N 3.41Å; T964-E967 PolarHBondContact OG1-OE1 2.78Å; T964-E967 PolarHBondContact OG1-OE2 2.77Å; T964-L968 PolarHBondContact O-N 2.84Å; T964-L968 VanDerWaalsContact O-N 3.09Å
965	E	78	Confident	80.9	Confident	84 Å²	84	82 Å²	82	39%	0.393	43%	0.425	S	S	.	.	H	α-helix	trans	-58.9	-29.1	177.8	-65.6	176	-174.3	0	0	112.1	K969 T980 S982	E965-K969 WeakPolarHBondContact O-CG 3.34Å; E965-K969 PolarHBondContact O-N 3.46Å; E965-T980 HydrophobicContact CG-CG2 4.09Å; E965-S982 VanDerWaalsContact OE1-CB 3.24Å; E965-S982 WeakPolarHBondContact OE1-CB 3.38Å; E965-S982 PolarHBondContact OE1-OG 3.42Å
966	S	78	Confident	80.1	Confident	94 Å²	94	82.3 Å²	82.3	66%	0.657	43%	0.427	S	S	*	.	H	α-helix	trans	-69.3	-39.6	174.6	-57.1	0	0	0	0	112.4	T964 L970	T964-S966 PolarHBondContact O-N 2.76Å; T964-S966 VanDerWaalsContact O-N 3.17Å; S966-L970 PolarHBondContact O-N 2.94Å; S966-L970 VanDerWaalsContact O-N 3.15Å
967	E	79.3	Confident	79.6	Confident	85 Å²	85	75.7 Å²	75.7	40%	0.397	40%	0.396	S	S	.	.	H	α-helix	trans	-64.9	-45.9	175.3	-74.4	152.4	-151.2	0	0	111.1	R963 T964 K969 L970 E971	R963-E967 WeakPolarHBondContact CA-OE2 3.37Å; T964-E967 PolarHBondContact N-OE2 2.81Å; T964-E967 WeakPolarHBondContact O-CB 3.3Å; T964-E967 PolarHBondContact O-N 2.88Å; T964-E967 WeakPolarHBondContact OG1-CG 3.37Å; T964-E967 PolarHBondContact OG1-N 3.41Å; T964-E967 PolarHBondContact OG1-OE1 2.78Å; T964-E967 PolarHBondContact OG1-OE2 2.77Å; E967-K969 VanDerWaalsContact C-N 3.33Å; E967-K969 PolarHBondContact O-N 3.35Å; E967-L970 WeakPolarHBondContact O-CB 3.33Å; E967-L970 PolarHBondContact O-N 3.48Å; E967-L970 VanDerWaalsContact O-N 3.1Å; E967-E971 PolarHBondContact O-N 3.41Å
968	L	75.8	Confident	79.4	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-61.1	-41.5	-179.9	-67.9	173.1	0	0	0	112.4	R963 T964 L970 E971 N972 E973 D975 F978 T980	R963-L968 HydrophobicContact CB-CD1 4.4Å; R963-L968 HydrophobicContact CB-CD2 3.91Å; R963-L968 HydrophobicContact CB-CG 3.93Å; R963-L968 HydrophobicContact CG-CD2 4.39Å; T964-L968 PolarHBondContact O-N 2.84Å; T964-L968 VanDerWaalsContact O-N 3.09Å; L968-L970 VanDerWaalsContact C-N 3.34Å; L968-E971 PolarHBondContact O-N 2.88Å; L968-N972 PolarHBondContact O-N 3.37Å; L968-N972 VanDerWaalsContact O-N 3.13Å; L968-E973 HydrophobicContact CD2-CB 3.99Å; L968-E973 PolarHBondContact O-N 3.46Å; L968-D975 VanDerWaalsContact CD1-OD1 3.27Å; L968-D975 WeakPolarHBondContact CD1-OD1 3.42Å; L968-F978 HydrophobicContact CD2-CB 3.88Å; L968-F978 HydrophobicContact CD2-CD2 3.98Å; L968-F978 HydrophobicContact CD2-CG 4.17Å; L968-T980 HydrophobicContact CD1-CG2 3.49Å; L968-T980 VanDerWaalsContact CD1-CG2 3.49Å
969	K	76.2	Confident	79.3	Confident	154 Å²	154	75.9 Å²	75.9	67%	0.67	40%	0.397	S	S	*	.	H	α-helix	trans	-65.5	-35.7	175.1	-73.9	174.7	-175.9	173.7	0	112.7	E965 E967	E965-K969 WeakPolarHBondContact O-CG 3.34Å; E965-K969 PolarHBondContact O-N 3.46Å; E967-K969 VanDerWaalsContact C-N 3.33Å; E967-K969 PolarHBondContact O-N 3.35Å
970	L	74.2	Confident	79.1	Confident	155 Å²	155	73.3 Å²	73.3	81%	0.812	37%	0.374	S	S	*	.	H	α-helix	trans	-69.1	-38.7	178.2	-166	80.4	0	0	0	111.3	S966 E967 L968 N972	S966-L970 PolarHBondContact O-N 2.94Å; S966-L970 VanDerWaalsContact O-N 3.15Å; E967-L970 WeakPolarHBondContact O-CB 3.33Å; E967-L970 PolarHBondContact O-N 3.48Å; E967-L970 VanDerWaalsContact O-N 3.1Å; L968-L970 VanDerWaalsContact C-N 3.34Å; L970-N972 VanDerWaalsContact C-N 3.29Å
971	E	72	Confident	78.9	Confident	104 Å²	104	71.8 Å²	71.8	49%	0.486	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	0.8	-178.3	-67.2	173.6	146.4	0	0	113.3	R963 E967 L968 E973	R963-E971 IonicContact CZ-OE2 2.62Å; R963-E971 IonicContact NE-OE2 2.89Å; R963-E971 IonicContact NH1-OE1 3.66Å; R963-E971 IonicContact NH1-OE2 3.66Å; R963-E971 PolarHBondContact NH1-OE2 2.84Å; E967-E971 PolarHBondContact O-N 3.41Å; L968-E971 PolarHBondContact O-N 2.88Å; E971-E973 HydrophobicContact CB-CG 4.21Å; E971-E973 PolarHBondContact O-N 3.48Å
972	N	68.3	Low	78.7	Confident	157 Å²	157	72.7 Å²	72.7	84%	0.84	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	26.2	-176.4	-114.3	-1.4	0	0	0	113	L968 L970	L968-N972 PolarHBondContact O-N 3.37Å; L968-N972 VanDerWaalsContact O-N 3.13Å; L970-N972 VanDerWaalsContact C-N 3.29Å
973	E	66.5	Low	78.5	Confident	65 Å²	65	70.1 Å²	70.1	30%	0.304	36%	0.36	S	S	.	.			trans	-86.3	143.6	175.9	-72.5	-170.3	157	0	0	110.6	R963 L968 E971 F978	R963-E973 IonicContact CZ-OE2 3.06Å; R963-E973 IonicContact NH1-OE1 3.52Å; R963-E973 PolarHBondContact NH1-OE1 3.21Å; R963-E973 IonicContact NH1-OE2 3.48Å; R963-E973 PolarHBondContact NH1-OE2 2.9Å; L968-E973 HydrophobicContact CD2-CB 3.99Å; L968-E973 PolarHBondContact O-N 3.46Å; E971-E973 HydrophobicContact CB-CG 4.21Å; E971-E973 PolarHBondContact O-N 3.48Å; E973-F978 VanDerWaalsContact CD-CE2 3.44Å; E973-F978 WeakPolarHBondContact OE1-CE2 3.34Å; E973-F978 WeakPolarHBondContact OE2-CD2 3.43Å; E973-F978 WeakPolarHBondContact OE2-CE2 3.2Å
974	K	67.1	Low	78.5	Confident	148 Å²	148	69.6 Å²	69.6	64%	0.643	36%	0.359	S	S	*	.			trans	-78.8	146.1	174.7	-70.9	-177	-179.5	-178.6	0	110.1	D976	K974-D976 WeakPolarHBondContact CB-OD1 3.39Å; K974-D976 PolarHBondContact O-N 3.44Å
975	D	66.4	Low	78.6	Confident	90 Å²	90	72.3 Å²	72.3	48%	0.481	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	5.4	174.8	-66	-22.8	0	0	0	114	L968	L968-D975 VanDerWaalsContact CD1-OD1 3.27Å; L968-D975 WeakPolarHBondContact CD1-OD1 3.42Å
976	D	75.2	Confident	79.1	Confident	67 Å²	67	74.8 Å²	74.8	36%	0.358	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-13.6	-178	62.8	-0.3	0	0	0	113.7	K974 S1024 A1025	K974-D976 WeakPolarHBondContact CB-OD1 3.39Å; K974-D976 PolarHBondContact O-N 3.44Å; D976-S1024 CarbonylContact O-C 3.59Å; D976-S1024 WeakPolarHBondContact O-CA 3.4Å; D976-A1025 PolarHBondContact O-N 3.22Å
977	V	84.2	Confident	79.5	Confident	4 Å²	4	71 Å²	71	2%	0.024	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-59.8	-178.4	-174.7	0	0	0	0	113.1	V726 L729 K730 S1024 A1025 Y1026	V726-V977 HydrophobicContact CG1-CB 4.34Å; V726-V977 HydrophobicContact CG1-CG1 3.64Å; V726-V977 HydrophobicContact CG1-CG2 3.78Å; L729-V977 HydrophobicContact CD2-CG1 4.27Å; K730-V977 HydrophobicContact CD-CG2 4.09Å; K730-V977 HydrophobicContact CG-CG2 3.99Å; V977-S1024 WeakPolarHBondContact O-CB 3.22Å; V977-A1025 PolarHBondContact O-N 2.89Å; V977-Y1026 HydrophobicContact CG1-CD2 3.75Å; V977-Y1026 HydrophobicContact CG1-CE2 3.49Å; V977-Y1026 VanDerWaalsContact CG1-CE2 3.49Å; V977-Y1026 WeakPolarHBondContact O-CD2 3.47Å; V977-Y1026 PolarHBondContact O-N 2.87Å; V977-Y1026 VanDerWaalsContact O-N 3.12Å
978	F	87.2	Confident	80	Confident	11 Å²	11	71.6 Å²	71.6	5%	0.048	36%	0.357	C	S	.	.	S	Bend	trans	-85.5	157.7	-170.5	-70.5	-85.7	0	0	0	111.8	R963 L968 E973 S1024 Y1026	R963-F978 HydrophobicContact CB-CB 4.33Å; R963-F978 HydrophobicContact CG-CB 4.28Å; R963-F978 HydrophobicContact CG-CD1 3.98Å; R963-F978 HydrophobicContact CG-CG 4.18Å; L968-F978 HydrophobicContact CD2-CB 3.88Å; L968-F978 HydrophobicContact CD2-CD2 3.98Å; L968-F978 HydrophobicContact CD2-CG 4.17Å; E973-F978 VanDerWaalsContact CD-CE2 3.44Å; E973-F978 WeakPolarHBondContact OE1-CE2 3.34Å; E973-F978 WeakPolarHBondContact OE2-CD2 3.43Å; E973-F978 WeakPolarHBondContact OE2-CE2 3.2Å; F978-S1024 WeakPolarHBondContact O-CB 3.45Å; F978-S1024 PolarHBondContact O-OG 3.4Å; F978-Y1026 HydrophobicContact CD1-CD2 4.02Å; F978-Y1026 AromaticContact CD1-CE2 3.89Å; F978-Y1026 HydrophobicContact CD1-CE2 3.89Å; F978-Y1026 HydrophobicContact CE1-CD2 4.28Å; F978-Y1026 AromaticContact CE1-CE2 3.68Å; F978-Y1026 HydrophobicContact CE1-CE2 3.68Å; F978-Y1026 HydrophobicContact CG-CD2 4.42Å; F978-Y1026 HydrophobicContact CG-CE2 4.44Å; F978-Y1026 HydrophobicContact CZ-CE2 4.03Å
979	I	88	Confident	80.5	Confident	1 Å²	1	79.9 Å²	79.9	1%	0.005	39%	0.389	C	S	.	.	B	Isolated β-bridge	trans	-88.8	125.9	-178.7	-50.2	-178.7	0	0	0	107.5	T958 F961 L962 R963 L1027	T958-I979 HydrophobicContact CG2-CD1 3.63Å; F961-I979 HydrophobicContact CB-CD1 4.3Å; F961-I979 HydrophobicContact CB-CG1 4.37Å; F961-I979 PolarHBondContact O-N 3.33Å; L962-I979 CarbonylContact C-O 3.58Å; L962-I979 VanDerWaalsContact CA-O 3.31Å; L962-I979 WeakPolarHBondContact CA-O 3.44Å; L962-I979 HydrophobicContact CD1-CB 4.23Å; L962-I979 HydrophobicContact CD1-CG2 3.99Å; L962-I979 WeakPolarHBondContact CD1-O 3.46Å; R963-I979 PolarHBondContact N-O 3.19Å; I979-L1027 HydrophobicContact CD1-CB 4.16Å; I979-L1027 HydrophobicContact CD1-CD1 4.23Å; I979-L1027 HydrophobicContact CG1-CB 4.03Å; I979-L1027 HydrophobicContact CG2-CD1 4.35Å
980	T	87.4	Confident	81	Confident	8 Å²	8	73.6 Å²	73.6	5%	0.049	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-99.1	149.2	171.9	64.5	0	0	0	0	111.3	E965 L968 S982 Q983 K984	E965-T980 HydrophobicContact CG-CG2 4.09Å; L968-T980 HydrophobicContact CD1-CG2 3.49Å; L968-T980 VanDerWaalsContact CD1-CG2 3.49Å; T980-S982 VanDerWaalsContact C-N 3.29Å; T980-S982 PolarHBondContact O-N 2.95Å; T980-S982 PolarHBondContact OG1-OG 2.97Å; T980-Q983 WeakPolarHBondContact O-CB 3.31Å; T980-Q983 PolarHBondContact O-N 2.98Å; T980-Q983 WeakPolarHBondContact OG1-CB 3.37Å; T980-Q983 PolarHBondContact OG1-N 2.72Å; T980-K984 PolarHBondContact O-N 3.25Å
981	P	85.9	Confident	81.7	Confident	64 Å²	64	66.7 Å²	66.7	42%	0.416	32%	0.324	S	S	.	.	H	α-helix	trans	-58.3	-38.6	176	-25.8	33.8	0	0	0	113.4	L962 R963 K984 E985	L962-P981 HydrophobicContact CD1-CG 4.26Å; L962-P981 HydrophobicContact CD2-CG 4.47Å; L962-P981 HydrophobicContact CG-CG 4.43Å; R963-P981 WeakPolarHBondContact O-CD 3.46Å; P981-K984 PolarHBondContact O-N 2.94Å; P981-E985 PolarHBondContact O-N 3.22Å
982	S	84.8	Confident	82.6	Confident	41 Å²	41	63.6 Å²	63.6	29%	0.287	31%	0.311	S	S	.	.	H	α-helix	trans	-63.8	-43.7	176.9	59.6	0	0	0	0	111.6	E965 T980 K984 E985 N986	E965-S982 VanDerWaalsContact OE1-CB 3.24Å; E965-S982 WeakPolarHBondContact OE1-CB 3.38Å; E965-S982 PolarHBondContact OE1-OG 3.42Å; T980-S982 VanDerWaalsContact C-N 3.29Å; T980-S982 PolarHBondContact O-N 2.95Å; T980-S982 PolarHBondContact OG1-OG 2.97Å; S982-K984 VanDerWaalsContact C-N 3.32Å; S982-K984 PolarHBondContact O-N 2.62Å; S982-E985 PolarHBondContact O-N 2.93Å; S982-N986 WeakPolarHBondContact O-CB 3.42Å; S982-N986 PolarHBondContact O-N 3.39Å; S982-N986 PolarHBondContact O-ND2 3.23Å
983	Q	85.1	Confident	83.6	Confident	19 Å²	19	60.9 Å²	60.9	9%	0.089	29%	0.289	C	S	.	.	H	α-helix	trans	-61.4	-41.5	174.9	179.2	-177.5	50	0	0	111.5	T980 N986 L987 R1022 S1024 L1027	T980-Q983 WeakPolarHBondContact O-CB 3.31Å; T980-Q983 PolarHBondContact O-N 2.98Å; T980-Q983 WeakPolarHBondContact OG1-CB 3.37Å; T980-Q983 PolarHBondContact OG1-N 2.72Å; Q983-N986 PolarHBondContact O-N 3.03Å; Q983-L987 HydrophobicContact CG-CD1 3.94Å; Q983-L987 WeakPolarHBondContact O-CB 3.29Å; Q983-L987 WeakPolarHBondContact O-CG 3.36Å; Q983-L987 PolarHBondContact O-N 3.4Å; Q983-R1022 PolarHBondContact NE2-O 3.17Å; Q983-S1024 PolarHBondContact OE1-OG 3.07Å; Q983-L1027 HydrophobicContact CG-CD2 3.94Å
984	K	85.2	Confident	84.7	Confident	53 Å²	53	58.7 Å²	58.7	23%	0.23	28%	0.279	C	S	.	.	H	α-helix	trans	-63.2	-43	177.5	-168.6	175.7	179.1	173.4	0	111.9	D955 T980 P981 S982 L987 K988 I991	D955-K984 WeakPolarHBondContact OD1-CE 3.48Å; D955-K984 IonicContact OD1-NZ 3.42Å; D955-K984 PolarHBondContact OD1-NZ 3.47Å; T980-K984 PolarHBondContact O-N 3.25Å; P981-K984 PolarHBondContact O-N 2.94Å; S982-K984 VanDerWaalsContact C-N 3.32Å; S982-K984 PolarHBondContact O-N 2.62Å; K984-L987 PolarHBondContact O-N 3.01Å; K984-K988 PolarHBondContact O-N 2.9Å; K984-I991 HydrophobicContact CG-CD1 3.71Å; K984-I991 WeakPolarHBondContact O-CD1 3.11Å
985	E	86.5	Confident	85.9	Confident	114 Å²	114	51.8 Å²	51.8	53%	0.533	25%	0.249	S	C	.	.	H	α-helix	trans	-68.5	-43.6	176.6	-169.5	60.2	-155.9	0	0	111.4	P981 S982 L987 K988	P981-E985 PolarHBondContact O-N 3.22Å; S982-E985 PolarHBondContact O-N 2.93Å; E985-L987 VanDerWaalsContact C-N 3.25Å; E985-L987 PolarHBondContact O-N 3.47Å; E985-K988 WeakPolarHBondContact O-CB 3.49Å; E985-K988 PolarHBondContact O-N 3.01Å; E985-K988 WeakPolarHBondContact OE1-CD 3.41Å; E985-K988 IonicContact OE1-NZ 3.19Å; E985-K988 PolarHBondContact OE1-NZ 3.44Å; E985-K988 IonicContact OE2-NZ 3.25Å; E985-K988 PolarHBondContact OE2-NZ 3.2Å
986	N	87.2	Confident	87	Confident	136 Å²	136	47.8 Å²	47.8	73%	0.727	23%	0.228	S	C	*	.	H	α-helix	trans	-60.5	-33.6	176.9	-73.9	-23.7	0	0	0	113	S982 Q983	S982-N986 WeakPolarHBondContact O-CB 3.42Å; S982-N986 PolarHBondContact O-N 3.39Å; S982-N986 PolarHBondContact O-ND2 3.23Å; Q983-N986 PolarHBondContact O-N 3.03Å
987	L	87.8	Confident	87.8	Confident	15 Å²	15	44.9 Å²	44.9	8%	0.079	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	4.2	-179.4	-66.4	175	0	0	0	113.6	Q983 K984 E985 R989 R990 I991 E1023 L1027	Q983-L987 HydrophobicContact CG-CD1 3.94Å; Q983-L987 WeakPolarHBondContact O-CB 3.29Å; Q983-L987 WeakPolarHBondContact O-CG 3.36Å; Q983-L987 PolarHBondContact O-N 3.4Å; K984-L987 PolarHBondContact O-N 3.01Å; E985-L987 VanDerWaalsContact C-N 3.25Å; E985-L987 PolarHBondContact O-N 3.47Å; L987-R989 VanDerWaalsContact C-N 3.29Å; L987-R989 PolarHBondContact O-N 2.73Å; L987-R989 VanDerWaalsContact O-N 3.12Å; L987-R990 CarbonylContact O-C 3.57Å; L987-R990 VanDerWaalsContact O-CA 3.32Å; L987-R990 WeakPolarHBondContact O-CA 3.35Å; L987-R990 VanDerWaalsContact O-CB 3.32Å; L987-R990 WeakPolarHBondContact O-CB 3.39Å; L987-R990 PolarHBondContact O-N 3.36Å; L987-I991 HydrophobicContact CB-CG1 4.4Å; L987-I991 WeakPolarHBondContact O-CG1 3.33Å; L987-I991 PolarHBondContact O-N 3.31Å; L987-E1023 HydrophobicContact CD1-CG 3.61Å; L987-L1027 HydrophobicContact CD1-CD2 3.55Å
988	K	88.2	Confident	88.2	Confident	98 Å²	98	45.3 Å²	45.3	43%	0.426	21%	0.214	S	C	.	.	H	α-helix	trans	-48	-44.8	-176.1	-172.1	179.1	-161.6	154.6	0	114.3	K984 E985 R990 I991 N992	K984-K988 PolarHBondContact O-N 2.9Å; E985-K988 WeakPolarHBondContact O-CB 3.49Å; E985-K988 PolarHBondContact O-N 3.01Å; E985-K988 WeakPolarHBondContact OE1-CD 3.41Å; E985-K988 IonicContact OE1-NZ 3.19Å; E985-K988 PolarHBondContact OE1-NZ 3.44Å; E985-K988 IonicContact OE2-NZ 3.25Å; E985-K988 PolarHBondContact OE2-NZ 3.2Å; K988-R990 VanDerWaalsContact C-N 3.31Å; K988-R990 PolarHBondContact O-N 3.28Å; K988-I991 WeakPolarHBondContact O-CB 3.32Å; K988-I991 PolarHBondContact O-N 3.46Å; K988-N992 PolarHBondContact O-N 2.79Å
989	R	86.5	Confident	88.5	Confident	174 Å²	174	46.5 Å²	46.5	66%	0.657	22%	0.22	S	C	*	.	H	α-helix	trans	-63.1	-35.6	175.8	-171.4	176.1	-176.3	168.3	2.1	112.7	L987 R993	L987-R989 VanDerWaalsContact C-N 3.29Å; L987-R989 PolarHBondContact O-N 2.73Å; L987-R989 VanDerWaalsContact O-N 3.12Å; R989-R993 WeakPolarHBondContact O-CG 3.47Å; R989-R993 PolarHBondContact O-N 2.97Å; R989-R993 PolarHBondContact O-NE 3.16Å
990	R	87.3	Confident	88.6	Confident	22 Å²	22	48.1 Å²	48.1	8%	0.083	23%	0.228	C	C	.	.	H	α-helix	trans	-73.2	-41.2	175	-174.1	174.5	-176.3	172.2	-0	111.3	L987 K988 R993 H994 V1017 E1023	L987-R990 CarbonylContact O-C 3.57Å; L987-R990 VanDerWaalsContact O-CA 3.32Å; L987-R990 WeakPolarHBondContact O-CA 3.35Å; L987-R990 VanDerWaalsContact O-CB 3.32Å; L987-R990 WeakPolarHBondContact O-CB 3.39Å; L987-R990 PolarHBondContact O-N 3.36Å; K988-R990 VanDerWaalsContact C-N 3.31Å; K988-R990 PolarHBondContact O-N 3.28Å; R990-R993 PolarHBondContact O-N 3.17Å; R990-H994 WeakPolarHBondContact CG-NE2 3.12Å; R990-H994 PolarHBondContact NE-NE2 3.01Å; R990-H994 PolarHBondContact O-CD2 2.75Å; R990-H994 VanDerWaalsContact O-CD2 3.25Å; R990-H994 PolarHBondContact O-N 3.26Å; R990-H994 VanDerWaalsContact O-N 3.15Å; R990-V1017 PolarHBondContact NH2-O 2.94Å; R990-E1023 WeakPolarHBondContact CD-OE1 3.4Å; R990-E1023 IonicContact CZ-OE1 3.91Å; R990-E1023 IonicContact CZ-OE2 3.27Å; R990-E1023 IonicContact NE-OE1 3.44Å; R990-E1023 PolarHBondContact NE-OE1 3.42Å; R990-E1023 VanDerWaalsContact NE-OE1 3.11Å; R990-E1023 IonicContact NH1-OE1 2.97Å; R990-E1023 PolarHBondContact NH1-OE1 2.93Å; R990-E1023 IonicContact NH1-OE2 3.69Å; R990-E1023 PolarHBondContact NH1-OE2 2.88Å; R990-E1023 IonicContact NH2-OE1 2.75Å; R990-E1023 IonicContact NH2-OE2 2.72Å
991	I	89.7	Confident	88.9	Confident	9 Å²	9	47.7 Å²	47.7	5%	0.046	23%	0.226	C	C	.	.	H	α-helix	trans	-56	-54.8	174.1	-60.2	174.7	0	0	0	109.4	F954 K984 L987 K988 R993 H994 L995 F1031	F954-I991 HydrophobicContact CD1-CG2 3.8Å; F954-I991 HydrophobicContact CE1-CD1 4.28Å; F954-I991 HydrophobicContact CE1-CG1 4.48Å; F954-I991 HydrophobicContact CE1-CG2 3.52Å; F954-I991 HydrophobicContact CZ-CG2 4.1Å; K984-I991 HydrophobicContact CG-CD1 3.71Å; K984-I991 WeakPolarHBondContact O-CD1 3.11Å; L987-I991 HydrophobicContact CB-CG1 4.4Å; L987-I991 WeakPolarHBondContact O-CG1 3.33Å; L987-I991 PolarHBondContact O-N 3.31Å; K988-I991 WeakPolarHBondContact O-CB 3.32Å; K988-I991 PolarHBondContact O-N 3.46Å; I991-R993 VanDerWaalsContact C-N 3.28Å; I991-R993 PolarHBondContact O-N 2.94Å; I991-H994 WeakPolarHBondContact O-CA 3.49Å; I991-H994 WeakPolarHBondContact O-CB 3.28Å; I991-H994 PolarHBondContact O-N 2.55Å; I991-L995 HydrophobicContact CG2-CD1 4.08Å; I991-L995 HydrophobicContact CG2-CG 4.18Å; I991-L995 WeakPolarHBondContact O-CG 3.48Å; I991-L995 PolarHBondContact O-N 2.72Å; I991-F1031 HydrophobicContact CB-CE1 4.37Å; I991-F1031 HydrophobicContact CG1-CE1 3.73Å; I991-F1031 HydrophobicContact CG1-CZ 3.81Å
992	N	90.4	Very high	89.2	Confident	40 Å²	40	46.7 Å²	46.7	21%	0.214	22%	0.215	C	C	.	.	H	α-helix	trans	-55.1	-42.4	-179.6	-72.5	-2.7	0	0	0	112.3	P946 K988 H994 L995 L996	P946-N992 HydrophobicContact CG-CB 4.3Å; K988-N992 PolarHBondContact O-N 2.79Å; N992-H994 VanDerWaalsContact C-N 3.34Å; N992-H994 PolarHBondContact O-N 2.95Å; N992-L995 PolarHBondContact O-N 2.51Å; N992-L996 VanDerWaalsContact O-CG 3.25Å; N992-L996 WeakPolarHBondContact O-CG 3.09Å; N992-L996 PolarHBondContact O-N 2.9Å
993	R	88.2	Confident	89.5	Confident	100 Å²	100	54 Å²	54	38%	0.377	24%	0.237	S	C	.	.	H	α-helix	trans	-60.5	-40.3	175.2	-73.4	-176.8	-62.8	166.3	3.7	113	R989 R990 I991 T997	R989-R993 WeakPolarHBondContact O-CG 3.47Å; R989-R993 PolarHBondContact O-N 2.97Å; R989-R993 PolarHBondContact O-NE 3.16Å; R990-R993 PolarHBondContact O-N 3.17Å; I991-R993 VanDerWaalsContact C-N 3.28Å; I991-R993 PolarHBondContact O-N 2.94Å; R993-T997 WeakPolarHBondContact O-CB 3.4Å; R993-T997 PolarHBondContact O-N 3.33Å; R993-T997 PolarHBondContact O-OG1 3.48Å
994	H	90.3	Very high	89.8	Confident	19 Å²	19	57.1 Å²	57.1	9%	0.088	25%	0.248	C	C	.	.	H	α-helix	trans	-69.5	-36.5	176.8	-67.2	-41.8	0	0	0	112.3	R990 I991 N992 T997 H998 F1031 I1035	R990-H994 WeakPolarHBondContact CG-NE2 3.12Å; R990-H994 PolarHBondContact NE-NE2 3.01Å; R990-H994 PolarHBondContact O-CD2 2.75Å; R990-H994 VanDerWaalsContact O-CD2 3.25Å; R990-H994 PolarHBondContact O-N 3.26Å; R990-H994 VanDerWaalsContact O-N 3.15Å; I991-H994 WeakPolarHBondContact O-CA 3.49Å; I991-H994 WeakPolarHBondContact O-CB 3.28Å; I991-H994 PolarHBondContact O-N 2.55Å; N992-H994 VanDerWaalsContact C-N 3.34Å; N992-H994 PolarHBondContact O-N 2.95Å; H994-T997 WeakPolarHBondContact O-CB 3.46Å; H994-T997 PolarHBondContact O-N 2.96Å; H994-H998 PolarHBondContact O-N 3.43Å; H994-F1031 HydrophobicContact CB-CD1 4.45Å; H994-F1031 AromaticContact CD2-CD1 3.84Å; H994-F1031 AromaticContact CD2-CD2 3.72Å; H994-F1031 AromaticContact CD2-CG 3.61Å; H994-I1035 HydrophobicContact CB-CD1 4.04Å; H994-I1035 HydrophobicContact CB-CG1 4.11Å
995	L	92.2	Very high	90.3	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-66	-45	174.1	-59.2	-173.8	0	0	0	111.9	P946 T950 V951 F954 I991 N992 T997 H998 E999 I1034	P946-L995 HydrophobicContact CB-CB 3.72Å; P946-L995 HydrophobicContact CB-CD1 4.34Å; P946-L995 HydrophobicContact CG-CB 4.09Å; P946-L995 HydrophobicContact CG-CD1 4.02Å; T950-L995 HydrophobicContact CG2-CB 3.9Å; T950-L995 HydrophobicContact CG2-CD2 4.12Å; T950-L995 HydrophobicContact CG2-CG 4.41Å; V951-L995 HydrophobicContact CB-CD1 4.49Å; V951-L995 HydrophobicContact CG2-CD1 3.95Å; F954-L995 HydrophobicContact CB-CD1 4.31Å; F954-L995 HydrophobicContact CB-CD2 3.64Å; F954-L995 HydrophobicContact CD1-CD2 4.48Å; F954-L995 HydrophobicContact CD2-CD2 3.85Å; F954-L995 HydrophobicContact CG-CD2 3.73Å; I991-L995 HydrophobicContact CG2-CD1 4.08Å; I991-L995 HydrophobicContact CG2-CG 4.18Å; I991-L995 WeakPolarHBondContact O-CG 3.48Å; I991-L995 PolarHBondContact O-N 2.72Å; N992-L995 PolarHBondContact O-N 2.51Å; L995-T997 VanDerWaalsContact C-N 3.32Å; L995-T997 PolarHBondContact O-N 3.26Å; L995-H998 WeakPolarHBondContact O-CB 3.14Å; L995-H998 PolarHBondContact O-N 3.25Å; L995-E999 WeakPolarHBondContact O-CG 3.35Å; L995-E999 PolarHBondContact O-N 3.24Å; L995-E999 VanDerWaalsContact O-N 3.07Å; L995-I1034 HydrophobicContact CD2-CG1 3.78Å; L995-I1034 HydrophobicContact CD2-CG2 4.1Å
996	L	90.7	Very high	90.6	Very high	6 Å²	6	55.1 Å²	55.1	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-62	-41.5	174.1	-68.4	165.6	0	0	0	111.7	M942 S944 P946 N992 H998 E999 L1000	M942-L996 WeakPolarHBondContact O-CD1 3.39Å; S944-L996 WeakPolarHBondContact O-CD1 3.47Å; S944-L996 WeakPolarHBondContact OG-CD2 3.22Å; P946-L996 HydrophobicContact CB-CD2 4.15Å; P946-L996 HydrophobicContact CB-CG 4.31Å; N992-L996 VanDerWaalsContact O-CG 3.25Å; N992-L996 WeakPolarHBondContact O-CG 3.09Å; N992-L996 PolarHBondContact O-N 2.9Å; L996-H998 VanDerWaalsContact C-N 3.26Å; L996-H998 PolarHBondContact O-N 3.15Å; L996-E999 PolarHBondContact O-N 2.95Å; L996-E999 VanDerWaalsContact O-N 3.13Å; L996-L1000 WeakPolarHBondContact O-CB 3.34Å; L996-L1000 VanDerWaalsContact O-CG 3.26Å; L996-L1000 WeakPolarHBondContact O-CG 3.5Å; L996-L1000 PolarHBondContact O-N 3.41Å
997	T	91.3	Very high	90.8	Very high	7 Å²	7	58 Å²	58	4%	0.043	25%	0.247	C	C	.	.	H	α-helix	trans	-57.4	-43.3	175.4	-59.8	0	0	0	0	110.6	F877 R993 H994 L995 L1000 L1001 I1013 I1035	F877-T997 HydrophobicContact CE2-CG2 3.86Å; R993-T997 WeakPolarHBondContact O-CB 3.4Å; R993-T997 PolarHBondContact O-N 3.33Å; R993-T997 PolarHBondContact O-OG1 3.48Å; H994-T997 WeakPolarHBondContact O-CB 3.46Å; H994-T997 PolarHBondContact O-N 2.96Å; L995-T997 VanDerWaalsContact C-N 3.32Å; L995-T997 PolarHBondContact O-N 3.26Å; T997-L1000 PolarHBondContact O-N 3.48Å; T997-L1001 HydrophobicContact CG2-CD1 3.89Å; T997-L1001 HydrophobicContact CG2-CG 4.32Å; T997-L1001 WeakPolarHBondContact O-CB 3.46Å; T997-L1001 WeakPolarHBondContact O-CG 3.32Å; T997-L1001 PolarHBondContact O-N 2.89Å; T997-I1013 HydrophobicContact CG2-CD1 3.72Å; T997-I1035 HydrophobicContact CG2-CG2 4.23Å
998	H	92.8	Very high	91.1	Very high	12 Å²	12	57.9 Å²	57.9	6%	0.056	25%	0.247	C	C	.	.	H	α-helix	trans	-59.4	-46.9	174.4	171.9	67.2	0	0	0	112.3	H994 L995 L996 L1000 L1001 Q1002 I1034	H994-H998 PolarHBondContact O-N 3.43Å; L995-H998 WeakPolarHBondContact O-CB 3.14Å; L995-H998 PolarHBondContact O-N 3.25Å; L996-H998 VanDerWaalsContact C-N 3.26Å; L996-H998 PolarHBondContact O-N 3.15Å; H998-L1000 VanDerWaalsContact C-N 3.33Å; H998-L1000 PolarHBondContact O-N 3.32Å; H998-L1001 PolarHBondContact O-N 2.72Å; H998-Q1002 WeakPolarHBondContact O-CB 3.5Å; H998-Q1002 VanDerWaalsContact O-CG 3.32Å; H998-Q1002 WeakPolarHBondContact O-CG 3.32Å; H998-Q1002 PolarHBondContact O-N 3.36Å; H998-I1034 HydrophobicContact CB-CG1 4.48Å; H998-I1034 PolarHBondContact CE1-O 3.44Å; H998-I1034 VanDerWaalsContact CG-O 3.26Å; H998-I1034 PolarHBondContact ND1-O 2.58Å
999	E	92.3	Very high	91.4	Very high	37 Å²	37	55.1 Å²	55.1	17%	0.173	24%	0.239	C	C	.	.	H	α-helix	trans	-61.8	-41.3	179.2	-68.1	178	176.3	0	0	112.3	N947 T950 L995 L996 Q1002 R1003	N947-E999 VanDerWaalsContact CB-OE1 3.26Å; N947-E999 WeakPolarHBondContact CB-OE1 3.49Å; N947-E999 PolarHBondContact N-OE1 3.05Å; N947-E999 VanDerWaalsContact ND2-CD 3.31Å; N947-E999 PolarHBondContact ND2-OE1 2.85Å; N947-E999 PolarHBondContact ND2-OE2 2.96Å; T950-E999 WeakPolarHBondContact CB-OE1 3.33Å; T950-E999 HydrophobicContact CG2-CG 4.24Å; T950-E999 PolarHBondContact OG1-OE1 3.45Å; L995-E999 WeakPolarHBondContact O-CG 3.35Å; L995-E999 PolarHBondContact O-N 3.24Å; L995-E999 VanDerWaalsContact O-N 3.07Å; L996-E999 PolarHBondContact O-N 2.95Å; L996-E999 VanDerWaalsContact O-N 3.13Å; E999-Q1002 PolarHBondContact O-N 2.87Å; E999-R1003 WeakPolarHBondContact O-CB 3.24Å; E999-R1003 PolarHBondContact O-N 3.36Å
1000	L	91	Very high	91.9	Very high	34 Å²	34	46.9 Å²	46.9	18%	0.178	21%	0.207	C	C	.	.	H	α-helix	trans	-66.4	-44.4	176.8	-67.9	169.3	0	0	0	111.5	W875 L939 M942 L996 T997 H998 Q1002 R1003 Y1004	W875-L1000 HydrophobicContact CH2-CB 3.77Å; W875-L1000 HydrophobicContact CZ3-CB 4.02Å; L939-L1000 HydrophobicContact CD1-CD1 4.23Å; M942-L1000 HydrophobicContact CG-CD1 4.42Å; L996-L1000 WeakPolarHBondContact O-CB 3.34Å; L996-L1000 VanDerWaalsContact O-CG 3.26Å; L996-L1000 WeakPolarHBondContact O-CG 3.5Å; L996-L1000 PolarHBondContact O-N 3.41Å; T997-L1000 PolarHBondContact O-N 3.48Å; H998-L1000 VanDerWaalsContact C-N 3.33Å; H998-L1000 PolarHBondContact O-N 3.32Å; L1000-Q1002 VanDerWaalsContact C-N 3.32Å; L1000-Q1002 PolarHBondContact O-N 2.84Å; L1000-R1003 PolarHBondContact O-N 3.19Å; L1000-R1003 VanDerWaalsContact O-N 3.15Å; L1000-Y1004 HydrophobicContact CD2-CD2 4.44Å; L1000-Y1004 HydrophobicContact CD2-CE2 4.01Å; L1000-Y1004 WeakPolarHBondContact O-CD2 3.37Å; L1000-Y1004 PolarHBondContact O-N 2.92Å
1001	L	93.4	Very high	92.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.6	-41.8	175.1	-74.1	168.3	0	0	0	112	W875 T997 H998 R1003 S1005 K1006 I1011 I1013 I1035 L1039	W875-L1001 HydrophobicContact CD2-CD2 3.69Å; W875-L1001 HydrophobicContact CE3-CD2 4.4Å; W875-L1001 HydrophobicContact CG-CD2 3.89Å; W875-L1001 HydrophobicContact CZ2-CD2 3.83Å; W875-L1001 HydrophobicContact CZ2-CG 4.41Å; W875-L1001 VanDerWaalsContact NE1-CD2 3.32Å; T997-L1001 HydrophobicContact CG2-CD1 3.89Å; T997-L1001 HydrophobicContact CG2-CG 4.32Å; T997-L1001 WeakPolarHBondContact O-CB 3.46Å; T997-L1001 WeakPolarHBondContact O-CG 3.32Å; T997-L1001 PolarHBondContact O-N 2.89Å; H998-L1001 PolarHBondContact O-N 2.72Å; L1001-R1003 VanDerWaalsContact C-N 3.31Å; L1001-R1003 PolarHBondContact O-N 3.05Å; L1001-S1005 CarbonylContact O-C 3.54Å; L1001-S1005 WeakPolarHBondContact O-CA 3.34Å; L1001-S1005 WeakPolarHBondContact O-CB 3.35Å; L1001-S1005 PolarHBondContact O-N 3.29Å; L1001-K1006 PolarHBondContact O-N 2.97Å; L1001-I1011 HydrophobicContact CD2-CD1 4.36Å; L1001-I1011 HydrophobicContact CD2-CG2 3.8Å; L1001-I1013 HydrophobicContact CD1-CD1 3.92Å; L1001-I1013 HydrophobicContact CD2-CD1 4.36Å; L1001-I1035 HydrophobicContact CD1-CG2 3.71Å; L1001-I1035 WeakPolarHBondContact CD1-O 3.45Å; L1001-L1039 HydrophobicContact CB-CD1 3.72Å; L1001-L1039 HydrophobicContact CB-CD2 4.37Å; L1001-L1039 HydrophobicContact CD1-CD1 3.99Å; L1001-L1039 HydrophobicContact CG-CD1 4.37Å
1002	Q	92.3	Very high	92.8	Very high	42 Å²	42	45.4 Å²	45.4	20%	0.196	20%	0.201	C	C	.	.	H	α-helix	trans	-63.9	-37.7	175.4	-75.5	-68.9	-28.4	0	0	111.9	H998 E999 L1000 K1006 R1037 D1038 L1039	H998-Q1002 WeakPolarHBondContact O-CB 3.5Å; H998-Q1002 VanDerWaalsContact O-CG 3.32Å; H998-Q1002 WeakPolarHBondContact O-CG 3.32Å; H998-Q1002 PolarHBondContact O-N 3.36Å; E999-Q1002 PolarHBondContact O-N 2.87Å; L1000-Q1002 VanDerWaalsContact C-N 3.32Å; L1000-Q1002 PolarHBondContact O-N 2.84Å; Q1002-K1006 WeakPolarHBondContact O-CB 3.38Å; Q1002-R1037 PolarHBondContact NE2-O 3.24Å; Q1002-D1038 PolarHBondContact NE2-O 3.38Å; Q1002-L1039 HydrophobicContact CG-CD2 4.45Å
1003	R	90.7	Very high	93	Very high	194 Å²	194	43.7 Å²	43.7	73%	0.732	19%	0.192	S	C	*	.	H	α-helix	trans	-72.5	-42.5	-179.7	-173.9	175.5	-178.1	173.6	-0.4	113.2	E999 L1000 L1001	E999-R1003 WeakPolarHBondContact O-CB 3.24Å; E999-R1003 PolarHBondContact O-N 3.36Å; L1000-R1003 PolarHBondContact O-N 3.19Å; L1000-R1003 VanDerWaalsContact O-N 3.15Å; L1001-R1003 VanDerWaalsContact C-N 3.31Å; L1001-R1003 PolarHBondContact O-N 3.05Å
1004	Y	92	Very high	93.3	Very high	85 Å²	85	39.4 Å²	39.4	33%	0.333	18%	0.177	S	C	.	.	H	α-helix	trans	-104.3	-27.1	-170.1	-69.9	-77.7	0	0	0	114.4	W875 R904 F906 L939 L1000	W875-Y1004 HydrophobicContact CH2-CD2 4.33Å; R904-Y1004 PolarHBondContact NH2-O 3.26Å; F906-Y1004 HydrophobicContact CE1-CD1 4.25Å; F906-Y1004 HydrophobicContact CE1-CG 4.08Å; L939-Y1004 HydrophobicContact CD2-CE2 4.46Å; L1000-Y1004 HydrophobicContact CD2-CD2 4.44Å; L1000-Y1004 HydrophobicContact CD2-CE2 4.01Å; L1000-Y1004 WeakPolarHBondContact O-CD2 3.37Å; L1000-Y1004 PolarHBondContact O-N 2.92Å
1005	S	95.1	Very high	93.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-0.7	-164.3	-59.8	0	0	0	0	115.6	D873 W875 L1001 E1007 T1008	D873-S1005 WeakPolarHBondContact OD2-CA 3.46Å; D873-S1005 WeakPolarHBondContact OD2-CB 3.41Å; D873-S1005 PolarHBondContact OD2-OG 2.84Å; W875-S1005 WeakPolarHBondContact CZ2-OG 3.23Å; W875-S1005 PolarHBondContact NE1-OG 2.87Å; L1001-S1005 CarbonylContact O-C 3.54Å; L1001-S1005 WeakPolarHBondContact O-CA 3.34Å; L1001-S1005 WeakPolarHBondContact O-CB 3.35Å; L1001-S1005 PolarHBondContact O-N 3.29Å; S1005-E1007 VanDerWaalsContact C-N 3.27Å; S1005-E1007 PolarHBondContact O-N 2.85Å; S1005-T1008 PolarHBondContact O-N 3.11Å; S1005-T1008 VanDerWaalsContact O-N 3.16Å; S1005-T1008 PolarHBondContact O-OG1 2.65Å
1006	K	92.7	Very high	93.3	Very high	125 Å²	125	39.4 Å²	39.4	54%	0.543	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-32.8	-176.2	-174.4	178.4	-176.2	176.9	0	114.7	L1001 Q1002 P1040	L1001-K1006 PolarHBondContact O-N 2.97Å; Q1002-K1006 WeakPolarHBondContact O-CB 3.38Å; K1006-P1040 WeakPolarHBondContact O-CD 3.46Å
1007	E	91.1	Very high	93.1	Very high	196 Å²	196	41.5 Å²	41.5	92%	0.916	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.4	5.4	-176.9	-61.2	-173.1	168.6	0	0	113.7	S1005	S1005-E1007 VanDerWaalsContact C-N 3.27Å; S1005-E1007 PolarHBondContact O-N 2.85Å
1008	T	94.3	Very high	92.7	Very high	14 Å²	14	41.3 Å²	41.3	9%	0.086	19%	0.191	C	C	.	.			trans	-80.1	168.2	-177.4	63	0	0	0	0	113.7	V871 D873 R904 S1005 I1011 P1040	V871-T1008 HydrophobicContact CB-CG2 4.36Å; V871-T1008 HydrophobicContact CG1-CG2 4.02Å; D873-T1008 HydrophobicContact CB-CG2 4.43Å; D873-T1008 VanDerWaalsContact CG-CG2 3.44Å; D873-T1008 WeakPolarHBondContact OD2-CG2 3.32Å; R904-T1008 VanDerWaalsContact NH2-CG2 3.27Å; S1005-T1008 PolarHBondContact O-N 3.11Å; S1005-T1008 VanDerWaalsContact O-N 3.16Å; S1005-T1008 PolarHBondContact O-OG1 2.65Å; T1008-I1011 WeakPolarHBondContact OG1-CG1 3.41Å; T1008-P1040 WeakPolarHBondContact O-CB 3.43Å; T1008-P1040 WeakPolarHBondContact O-CG 3.36Å
1009	T	94.6	Very high	92.2	Very high	40 Å²	40	46.5 Å²	46.5	25%	0.245	21%	0.21	C	C	.	.	S	Bend	trans	-85.1	-35.7	-178.6	-49.6	0	0	0	0	112.1	R867 A870 V871 L898	R867-T1009 HydrophobicContact CB-CG2 4.44Å; R867-T1009 HydrophobicContact CG-CG2 4.34Å; A870-T1009 WeakPolarHBondContact CA-OG1 3.21Å; A870-T1009 HydrophobicContact CB-CG2 4.09Å; V871-T1009 PolarHBondContact N-OG1 2.92Å; V871-T1009 WeakPolarHBondContact O-CB 3.36Å; V871-T1009 PolarHBondContact O-N 3.06Å; L898-T1009 HydrophobicContact CD2-CG2 3.64Å
1010	L	97	Very high	91.3	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	136.7	178.8	176.5	71.6	0	0	0	109.1	F635 V871 I872 D873 L891 L898 V1012 P1041 L1043	F635-L1010 HydrophobicContact CE2-CD1 4.01Å; F635-L1010 HydrophobicContact CE2-CD2 4.2Å; F635-L1010 HydrophobicContact CZ-CD1 4.17Å; F635-L1010 HydrophobicContact CZ-CD2 4.09Å; V871-L1010 PolarHBondContact O-N 3.42Å; I872-L1010 WeakPolarHBondContact CA-O 3.27Å; I872-L1010 HydrophobicContact CG1-CB 4.39Å; I872-L1010 HydrophobicContact CG2-CD2 4.36Å; D873-L1010 PolarHBondContact N-O 3.43Å; L891-L1010 HydrophobicContact CD1-CD2 3.56Å; L898-L1010 HydrophobicContact CD1-CB 3.92Å; L898-L1010 HydrophobicContact CD1-CD2 3.67Å; L898-L1010 HydrophobicContact CD1-CG 4.44Å; L1010-V1012 HydrophobicContact CD2-CG2 3.87Å; L1010-V1012 HydrophobicContact CG-CG2 4.08Å; L1010-P1041 HydrophobicContact CD1-CB 4.02Å; L1010-P1041 WeakPolarHBondContact CD1-O 3.48Å; L1010-L1043 HydrophobicContact CD1-CB 4.5Å
1011	I	98	Very high	90.4	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	126.7	170.3	-59.8	172.4	0	0	0	107.5	D873 L1001 T1008 I1013 L1039 P1040 P1041 V1042 L1043	D873-I1011 CarbonylContact O-C 3.54Å; D873-I1011 WeakPolarHBondContact O-CA 3.33Å; L1001-I1011 HydrophobicContact CD2-CD1 4.36Å; L1001-I1011 HydrophobicContact CD2-CG2 3.8Å; T1008-I1011 WeakPolarHBondContact OG1-CG1 3.41Å; I1011-I1013 HydrophobicContact CG2-CB 4.46Å; I1011-L1039 HydrophobicContact CD1-CB 4.15Å; I1011-L1039 HydrophobicContact CD1-CD1 3.97Å; I1011-L1039 HydrophobicContact CD1-CD2 4.03Å; I1011-L1039 HydrophobicContact CD1-CG 4.27Å; I1011-P1040 HydrophobicContact CD1-CG 3.84Å; I1011-P1040 HydrophobicContact CG1-CG 4.08Å; I1011-P1041 PolarHBondContact N-O 3.1Å; I1011-V1042 HydrophobicContact CB-CG1 4.19Å; I1011-V1042 HydrophobicContact CB-CG2 4.23Å; I1011-V1042 HydrophobicContact CD1-CG2 4.38Å; I1011-V1042 HydrophobicContact CG2-CG1 4.14Å; I1011-V1042 CarbonylContact O-C 3.56Å; I1011-V1042 WeakPolarHBondContact O-CA 3.38Å; I1011-L1043 PolarHBondContact O-N 2.89Å
1012	V	97.6	Very high	89.6	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	113.5	171.5	-173.4	0	0	0	0	107.3	I872 D873 V874 W875 T884 L1010 L1043 V1045	I872-V1012 HydrophobicContact CG2-CG2 3.85Å; D873-V1012 PolarHBondContact O-N 3.33Å; V874-V1012 CarbonylContact C-O 3.57Å; V874-V1012 WeakPolarHBondContact CA-O 3.49Å; W875-V1012 PolarHBondContact N-O 3.44Å; T884-V1012 HydrophobicContact CG2-CG1 3.75Å; L1010-V1012 HydrophobicContact CD2-CG2 3.87Å; L1010-V1012 HydrophobicContact CG-CG2 4.08Å; V1012-L1043 CarbonylContact C-O 3.58Å; V1012-L1043 WeakPolarHBondContact CA-O 2.97Å; V1012-L1043 HydrophobicContact CG1-CB 4.5Å; V1012-L1043 HydrophobicContact CG1-CD2 4.2Å; V1012-L1043 HydrophobicContact CG2-CB 4.35Å; V1012-L1043 HydrophobicContact CG2-CD2 4.42Å; V1012-V1045 HydrophobicContact CG1-CG2 3.75Å
1013	I	95.9	Very high	89	Confident	4 Å²	4	59.7 Å²	59.7	2%	0.021	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	147.6	-175.3	-176	162.3	0	0	0	110.8	W875 F877 T997 L1001 I1011 L1015 I1035 V1042 L1043 L1044 V1045	W875-I1013 HydrophobicContact CB-CB 3.84Å; W875-I1013 HydrophobicContact CB-CD1 3.92Å; W875-I1013 HydrophobicContact CB-CG1 3.63Å; W875-I1013 HydrophobicContact CG-CD1 4.39Å; W875-I1013 WeakPolarHBondContact O-CA 3.34Å; F877-I1013 HydrophobicContact CD2-CD1 4.49Å; F877-I1013 HydrophobicContact CE2-CD1 4.46Å; T997-I1013 HydrophobicContact CG2-CD1 3.72Å; L1001-I1013 HydrophobicContact CD1-CD1 3.92Å; L1001-I1013 HydrophobicContact CD2-CD1 4.36Å; I1011-I1013 HydrophobicContact CG2-CB 4.46Å; I1013-L1015 PolarHBondContact O-N 2.95Å; I1013-I1035 HydrophobicContact CD1-CG2 4.26Å; I1013-V1042 HydrophobicContact CG2-CG1 3.69Å; I1013-L1043 PolarHBondContact N-O 3.05Å; I1013-L1044 HydrophobicContact CG2-CD2 3.82Å; I1013-L1044 HydrophobicContact CG2-CG 4.13Å; I1013-L1044 CarbonylContact O-C 3.55Å; I1013-L1044 VanDerWaalsContact O-CA 3.27Å; I1013-L1044 WeakPolarHBondContact O-CA 3.15Å; I1013-V1045 PolarHBondContact O-N 2.59Å
1014	S	93.2	Very high	88.8	Confident	10 Å²	10	50.5 Å²	50.5	7%	0.07	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	121.9	171.2	-58.6	0	0	0	0	111.7	W875 F877 S878 P1016 V1045	W875-S1014 PolarHBondContact O-N 3.33Å; W875-S1014 PolarHBondContact O-OG 2.85Å; F877-S1014 PolarHBondContact N-OG 3.48Å; F877-S1014 VanDerWaalsContact N-OG 3.14Å; S878-S1014 VanDerWaalsContact OG-CB 3.26Å; S878-S1014 WeakPolarHBondContact OG-CB 3.32Å; S878-S1014 PolarHBondContact OG-OG 3.15Å; S1014-P1016 WeakPolarHBondContact O-CD 3.45Å; S1014-V1045 CarbonylContact C-O 3.53Å; S1014-V1045 VanDerWaalsContact CA-O 3.3Å; S1014-V1045 WeakPolarHBondContact CA-O 3.16Å
1015	L	94.1	Very high	88.6	Confident	3 Å²	3	46.5 Å²	46.5	2%	0.016	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-67.6	122.3	177	171.8	67	0	0	0	109.7	V746 I748 I1013 V1017 F1028 L1032 L1044 V1045 R1046	V746-L1015 HydrophobicContact CB-CD2 4.2Å; V746-L1015 HydrophobicContact CG1-CD2 3.87Å; I748-L1015 HydrophobicContact CD1-CD1 3.78Å; I748-L1015 HydrophobicContact CD1-CD2 3.95Å; I748-L1015 HydrophobicContact CG1-CD1 4.41Å; I748-L1015 HydrophobicContact CG1-CD2 4.15Å; I1013-L1015 PolarHBondContact O-N 2.95Å; L1015-V1017 PolarHBondContact O-N 3.04Å; L1015-F1028 HydrophobicContact CD1-CZ 4.46Å; L1015-L1032 HydrophobicContact CD1-CD1 4.46Å; L1015-L1032 HydrophobicContact CD1-CD2 3.74Å; L1015-L1044 HydrophobicContact CB-CB 3.81Å; L1015-L1044 HydrophobicContact CD1-CB 3.68Å; L1015-L1044 HydrophobicContact CD1-CD2 4.15Å; L1015-L1044 HydrophobicContact CD1-CG 4.34Å; L1015-L1044 HydrophobicContact CG-CB 4.3Å; L1015-V1045 PolarHBondContact N-O 3.24Å; L1015-R1046 HydrophobicContact CB-CB 4.01Å; L1015-R1046 HydrophobicContact CD2-CB 4.14Å; L1015-R1046 HydrophobicContact CG-CB 4.45Å
1016	P	89.2	Confident	88.5	Confident	18 Å²	18	47.1 Å²	47.1	12%	0.117	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-59.3	131.6	169.7	-23.2	34.3	0	0	0	110.5	S1014 F1028 I1035	S1014-P1016 WeakPolarHBondContact O-CD 3.45Å; P1016-F1028 VanDerWaalsContact O-CE2 3.27Å; P1016-F1028 WeakPolarHBondContact O-CE2 3.26Å; P1016-I1035 HydrophobicContact CG-CD1 3.85Å
1017	V	86	Confident	88.4	Confident	50 Å²	50	41.2 Å²	41.2	30%	0.303	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-82.5	123.4	179.4	-179	0	0	0	0	109.8	F740 R990 L1015 R1019 R1046	F740-V1017 HydrophobicContact CD2-CG1 4.44Å; F740-V1017 HydrophobicContact CE2-CG1 4.04Å; R990-V1017 PolarHBondContact NH2-O 2.94Å; L1015-V1017 PolarHBondContact O-N 3.04Å; V1017-R1019 PolarHBondContact O-N 3.23Å; V1017-R1046 HydrophobicContact CG2-CG 3.86Å
1018	P	83.3	Confident	88.4	Confident	3 Å²	3	32 Å²	32	2%	0.019	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-62.7	128	171.1	24.7	-29.3	0	0	0	109.1	M733 I736 H737 E1023 F1028	M733-P1018 HydrophobicContact CE-CB 3.64Å; I736-P1018 HydrophobicContact CG2-CG 3.98Å; H737-P1018 PolarHBondContact CE1-O 2.89Å; P1018-E1023 WeakPolarHBondContact CA-OE2 3.35Å; P1018-F1028 HydrophobicContact CB-CD1 4.32Å; P1018-F1028 HydrophobicContact CB-CD2 3.77Å; P1018-F1028 HydrophobicContact CB-CE1 4.42Å; P1018-F1028 HydrophobicContact CB-CE2 3.88Å; P1018-F1028 HydrophobicContact CB-CG 4Å; P1018-F1028 HydrophobicContact CB-CZ 4.21Å; P1018-F1028 HydrophobicContact CG-CD2 4.43Å; P1018-F1028 HydrophobicContact CG-CE1 4.28Å; P1018-F1028 HydrophobicContact CG-CE2 4.07Å; P1018-F1028 HydrophobicContact CG-CZ 3.98Å
1019	R	81.8	Confident	88.3	Confident	122 Å²	122	31.3 Å²	31.3	46%	0.46	17%	0.165	S	C	.	.			trans	-88.2	115.5	176.9	-72.2	179.6	-177.9	-168.6	-2.4	109.7	V1017 G1021 R1022 E1023	V1017-R1019 PolarHBondContact O-N 3.23Å; R1019-G1021 PolarHBondContact O-N 3.05Å; R1019-R1022 HydrophobicContact CB-CB 3.99Å; R1019-R1022 PolarHBondContact O-N 3.35Å; R1019-E1023 PolarHBondContact N-OE2 2.95Å; R1019-E1023 PolarHBondContact O-N 3.18Å
1020	K	74.7	Confident	88.3	Confident	138 Å²	138	29.5 Å²	29.5	60%	0.6	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50	127.4	177.1	-72.6	-172.3	177.8	-180	0	110.2	H737 R1022	H737-K1020 VanDerWaalsContact CE1-CG 3.46Å; H737-K1020 WeakPolarHBondContact CE1-CG 3.33Å; K1020-R1022 PolarHBondContact O-N 3.46Å
1021	G	71.2	Confident	88	Confident	89 Å²	89	29.5 Å²	29.5	92%	0.918	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.1	-2.4	177.8	0	0	0	0	0	116.7	R1019	R1019-G1021 PolarHBondContact O-N 3.05Å
1022	R	76.3	Confident	87.8	Confident	157 Å²	157	29.5 Å²	29.5	59%	0.592	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.9	-31.4	176.4	-70.3	-166.9	-177.8	-164.1	4	113.7	Q983 R1019 K1020	Q983-R1022 PolarHBondContact NE2-O 3.17Å; R1019-R1022 HydrophobicContact CB-CB 3.99Å; R1019-R1022 PolarHBondContact O-N 3.35Å; K1020-R1022 PolarHBondContact O-N 3.46Å
1023	E	79.5	Confident	87.7	Confident	6 Å²	6	30.3 Å²	30.3	3%	0.028	16%	0.158	C	C	.	.	S	Bend	trans	-114.8	131.2	-177	-73.6	172.2	160.5	0	0	109.2	M733 L987 R990 P1018 R1019	M733-E1023 WeakPolarHBondContact CE-O 3.44Å; L987-E1023 HydrophobicContact CD1-CG 3.61Å; R990-E1023 WeakPolarHBondContact CD-OE1 3.4Å; R990-E1023 IonicContact CZ-OE1 3.91Å; R990-E1023 IonicContact CZ-OE2 3.27Å; R990-E1023 IonicContact NE-OE1 3.44Å; R990-E1023 PolarHBondContact NE-OE1 3.42Å; R990-E1023 VanDerWaalsContact NE-OE1 3.11Å; R990-E1023 IonicContact NH1-OE1 2.97Å; R990-E1023 PolarHBondContact NH1-OE1 2.93Å; R990-E1023 IonicContact NH1-OE2 3.69Å; R990-E1023 PolarHBondContact NH1-OE2 2.88Å; R990-E1023 IonicContact NH2-OE1 2.75Å; R990-E1023 IonicContact NH2-OE2 2.72Å; P1018-E1023 WeakPolarHBondContact CA-OE2 3.35Å; R1019-E1023 PolarHBondContact N-OE2 2.95Å; R1019-E1023 PolarHBondContact O-N 3.18Å
1024	S	87.4	Confident	87.5	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.157	C	C	.	.			trans	-82.9	156.8	174.2	64.8	0	0	0	0	110.7	D976 V977 F978 Q983 Y1026 L1027 F1028	D976-S1024 CarbonylContact O-C 3.59Å; D976-S1024 WeakPolarHBondContact O-CA 3.4Å; V977-S1024 WeakPolarHBondContact O-CB 3.22Å; F978-S1024 WeakPolarHBondContact O-CB 3.45Å; F978-S1024 PolarHBondContact O-OG 3.4Å; Q983-S1024 PolarHBondContact OE1-OG 3.07Å; S1024-Y1026 VanDerWaalsContact C-N 3.33Å; S1024-Y1026 PolarHBondContact O-N 2.89Å; S1024-L1027 PolarHBondContact O-N 3.18Å; S1024-L1027 VanDerWaalsContact O-N 3.12Å; S1024-L1027 WeakPolarHBondContact OG-CB 3.49Å; S1024-F1028 PolarHBondContact O-N 3.03Å
1025	A	88.5	Confident	87.5	Confident	1 Å²	1	29.8 Å²	29.8	1%	0.008	15%	0.154	C	C	.	.	H	α-helix	trans	-58.4	-43.9	-176.4	0	0	0	0	0	112.4	L729 M733 D976 V977 F1028 L1029	L729-A1025 HydrophobicContact CD2-CB 3.64Å; L729-A1025 HydrophobicContact CG-CB 3.91Å; M733-A1025 VanDerWaalsContact SD-CA 3.53Å; M733-A1025 HydrophobicContact SD-CB 3.74Å; D976-A1025 PolarHBondContact O-N 3.22Å; V977-A1025 PolarHBondContact O-N 2.89Å; A1025-F1028 PolarHBondContact O-N 2.91Å; A1025-L1029 WeakPolarHBondContact O-CB 3.4Å; A1025-L1029 PolarHBondContact O-N 3.41Å
1026	Y	91.6	Very high	87.4	Confident	14 Å²	14	29.8 Å²	29.8	6%	0.055	15%	0.154	C	C	.	.	H	α-helix	trans	-65.6	-38.7	175.9	-74.1	-56.4	0	0	0	112.3	W721 L729 F961 V977 F978 S1024 S1030	W721-Y1026 AromaticContact CE3-CD1 3.84Å; W721-Y1026 HydrophobicContact CE3-CD1 3.84Å; W721-Y1026 HydrophobicContact CE3-CE1 4.31Å; W721-Y1026 AromaticContact CZ3-CD1 3.81Å; W721-Y1026 HydrophobicContact CZ3-CD1 3.81Å; L729-Y1026 HydrophobicContact CD1-CE1 4.41Å; L729-Y1026 HydrophobicContact CD2-CD1 3.54Å; L729-Y1026 HydrophobicContact CD2-CD2 4.13Å; L729-Y1026 HydrophobicContact CD2-CE1 3.39Å; L729-Y1026 HydrophobicContact CD2-CE2 4Å; L729-Y1026 HydrophobicContact CD2-CG 3.91Å; F961-Y1026 HydrophobicContact CB-CD1 4.34Å; F961-Y1026 HydrophobicContact CB-CD2 3.83Å; F961-Y1026 HydrophobicContact CB-CE2 4.46Å; F961-Y1026 HydrophobicContact CB-CG 3.77Å; F961-Y1026 AromaticContact CD1-CD1 3.58Å; F961-Y1026 HydrophobicContact CD1-CD1 3.58Å; F961-Y1026 AromaticContact CD1-CD2 3.88Å; F961-Y1026 HydrophobicContact CD1-CD2 3.88Å; F961-Y1026 AromaticContact CD1-CE1 3.47Å; F961-Y1026 HydrophobicContact CD1-CE1 3.47Å; F961-Y1026 VanDerWaalsContact CD1-CE1 3.47Å; F961-Y1026 AromaticContact CD1-CE2 3.78Å; F961-Y1026 HydrophobicContact CD1-CE2 3.78Å; F961-Y1026 AromaticContact CD1-CG 3.8Å; F961-Y1026 HydrophobicContact CD1-CG 3.8Å; F961-Y1026 AromaticContact CD1-CZ 3.58Å; F961-Y1026 HydrophobicContact CD2-CD1 4.24Å; F961-Y1026 HydrophobicContact CD2-CG 4.43Å; F961-Y1026 AromaticContact CE1-CD1 3.87Å; F961-Y1026 HydrophobicContact CE1-CD1 3.87Å; F961-Y1026 AromaticContact CE1-CE1 3.48Å; F961-Y1026 HydrophobicContact CE1-CE1 3.48Å; F961-Y1026 VanDerWaalsContact CE1-CE1 3.48Å; F961-Y1026 HydrophobicContact CE1-CE2 4.5Å; F961-Y1026 AromaticContact CE1-CZ 3.85Å; F961-Y1026 HydrophobicContact CE2-CD1 4.49Å; F961-Y1026 AromaticContact CG-CD1 3.78Å; F961-Y1026 HydrophobicContact CG-CD1 3.78Å; F961-Y1026 HydrophobicContact CG-CD2 4.06Å; F961-Y1026 HydrophobicContact CG-CE1 4.17Å; F961-Y1026 HydrophobicContact CG-CE2 4.42Å; F961-Y1026 AromaticContact CG-CG 3.74Å; F961-Y1026 HydrophobicContact CG-CG 3.74Å; F961-Y1026 HydrophobicContact CZ-CD1 4.31Å; F961-Y1026 HydrophobicContact CZ-CE1 4.19Å; V977-Y1026 HydrophobicContact CG1-CD2 3.75Å; V977-Y1026 HydrophobicContact CG1-CE2 3.49Å; V977-Y1026 VanDerWaalsContact CG1-CE2 3.49Å; V977-Y1026 WeakPolarHBondContact O-CD2 3.47Å; V977-Y1026 PolarHBondContact O-N 2.87Å; V977-Y1026 VanDerWaalsContact O-N 3.12Å; F978-Y1026 HydrophobicContact CD1-CD2 4.02Å; F978-Y1026 AromaticContact CD1-CE2 3.89Å; F978-Y1026 HydrophobicContact CD1-CE2 3.89Å; F978-Y1026 HydrophobicContact CE1-CD2 4.28Å; F978-Y1026 AromaticContact CE1-CE2 3.68Å; F978-Y1026 HydrophobicContact CE1-CE2 3.68Å; F978-Y1026 HydrophobicContact CG-CD2 4.42Å; F978-Y1026 HydrophobicContact CG-CE2 4.44Å; F978-Y1026 HydrophobicContact CZ-CE2 4.03Å; S1024-Y1026 VanDerWaalsContact C-N 3.33Å; S1024-Y1026 PolarHBondContact O-N 2.89Å; Y1026-S1030 VanDerWaalsContact O-CB 3.25Å; Y1026-S1030 WeakPolarHBondContact O-CB 3.5Å; Y1026-S1030 PolarHBondContact O-N 3.13Å; Y1026-S1030 PolarHBondContact O-OG 2.91Å
1027	L	90.8	Very high	87.5	Confident	1 Å²	1	31.9 Å²	31.9	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-64.7	-46.9	177.3	-174.5	60.6	0	0	0	111.1	F954 I979 Q983 L987 S1024 L1029 S1030 F1031	F954-L1027 HydrophobicContact CZ-CD1 4.04Å; I979-L1027 HydrophobicContact CD1-CB 4.16Å; I979-L1027 HydrophobicContact CD1-CD1 4.23Å; I979-L1027 HydrophobicContact CG1-CB 4.03Å; I979-L1027 HydrophobicContact CG2-CD1 4.35Å; Q983-L1027 HydrophobicContact CG-CD2 3.94Å; L987-L1027 HydrophobicContact CD1-CD2 3.55Å; S1024-L1027 PolarHBondContact O-N 3.18Å; S1024-L1027 VanDerWaalsContact O-N 3.12Å; S1024-L1027 WeakPolarHBondContact OG-CB 3.49Å; L1027-L1029 PolarHBondContact O-N 3.26Å; L1027-S1030 PolarHBondContact O-N 2.87Å; L1027-S1030 PolarHBondContact O-OG 3.12Å; L1027-F1031 HydrophobicContact CD1-CE1 3.72Å; L1027-F1031 HydrophobicContact CD1-CE2 4.43Å; L1027-F1031 HydrophobicContact CD1-CZ 3.64Å; L1027-F1031 HydrophobicContact CD2-CE2 4.39Å; L1027-F1031 HydrophobicContact CD2-CZ 4.02Å; L1027-F1031 HydrophobicContact CG-CE1 4.11Å; L1027-F1031 HydrophobicContact CG-CE2 3.91Å; L1027-F1031 HydrophobicContact CG-CZ 3.57Å; L1027-F1031 WeakPolarHBondContact O-CG 3.36Å; L1027-F1031 PolarHBondContact O-N 2.89Å
1028	F	91.6	Very high	87.7	Confident	1 Å²	1	34 Å²	34	0%	0.004	17%	0.169	C	C	.	.	H	α-helix	trans	-61	-45.9	178.5	176.7	-111.3	0	0	0	112.3	M733 I736 L1015 P1016 P1018 S1024 A1025 S1030 F1031 L1032	M733-F1028 HydrophobicContact CE-CB 3.98Å; M733-F1028 HydrophobicContact CE-CG 4.36Å; I736-F1028 HydrophobicContact CD1-CE1 3.84Å; I736-F1028 HydrophobicContact CD1-CZ 4.41Å; L1015-F1028 HydrophobicContact CD1-CZ 4.46Å; P1016-F1028 VanDerWaalsContact O-CE2 3.27Å; P1016-F1028 WeakPolarHBondContact O-CE2 3.26Å; P1018-F1028 HydrophobicContact CB-CD1 4.32Å; P1018-F1028 HydrophobicContact CB-CD2 3.77Å; P1018-F1028 HydrophobicContact CB-CE1 4.42Å; P1018-F1028 HydrophobicContact CB-CE2 3.88Å; P1018-F1028 HydrophobicContact CB-CG 4Å; P1018-F1028 HydrophobicContact CB-CZ 4.21Å; P1018-F1028 HydrophobicContact CG-CD2 4.43Å; P1018-F1028 HydrophobicContact CG-CE1 4.28Å; P1018-F1028 HydrophobicContact CG-CE2 4.07Å; P1018-F1028 HydrophobicContact CG-CZ 3.98Å; S1024-F1028 PolarHBondContact O-N 3.03Å; A1025-F1028 PolarHBondContact O-N 2.91Å; F1028-S1030 VanDerWaalsContact C-N 3.3Å; F1028-S1030 PolarHBondContact O-N 3.38Å; F1028-F1031 WeakPolarHBondContact O-CB 3.25Å; F1028-F1031 PolarHBondContact O-N 3.4Å; F1028-F1031 VanDerWaalsContact O-N 3.11Å; F1028-L1032 HydrophobicContact CD1-CD1 4.41Å; F1028-L1032 HydrophobicContact CE1-CD1 3.68Å; F1028-L1032 HydrophobicContact CE1-CG 4.21Å; F1028-L1032 HydrophobicContact CE2-CD2 4.37Å; F1028-L1032 HydrophobicContact CE2-CG 4.4Å; F1028-L1032 HydrophobicContact CZ-CD1 3.8Å; F1028-L1032 HydrophobicContact CZ-CD2 4.17Å; F1028-L1032 HydrophobicContact CZ-CG 4.05Å; F1028-L1032 PolarHBondContact O-N 3.34Å; F1028-L1032 VanDerWaalsContact O-N 3.09Å
1029	L	93	Very high	88.2	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-70.3	-28.2	178.4	-74.8	161.2	0	0	0	112.5	Y717 W721 L729 Y732 A1025 L1027 F1031 L1032 E1033	Y717-L1029 HydrophobicContact CE2-CD2 4.45Å; W721-L1029 HydrophobicContact CB-CD1 3.94Å; W721-L1029 HydrophobicContact CD2-CB 3.96Å; W721-L1029 HydrophobicContact CE3-CB 4.05Å; W721-L1029 HydrophobicContact CG-CB 4.21Å; W721-L1029 HydrophobicContact CG-CD1 4.5Å; L729-L1029 HydrophobicContact CD1-CD1 3.16Å; L729-L1029 HydrophobicContact CG-CD1 3.85Å; Y732-L1029 HydrophobicContact CD1-CD2 4.26Å; Y732-L1029 HydrophobicContact CE1-CD2 4.05Å; A1025-L1029 WeakPolarHBondContact O-CB 3.4Å; A1025-L1029 PolarHBondContact O-N 3.41Å; L1027-L1029 PolarHBondContact O-N 3.26Å; L1029-F1031 VanDerWaalsContact C-N 3.32Å; L1029-L1032 HydrophobicContact CD2-CD1 4.29Å; L1029-L1032 PolarHBondContact O-N 3.43Å; L1029-E1033 WeakPolarHBondContact O-CB 3.43Å; L1029-E1033 PolarHBondContact O-N 2.95Å
1030	S	92.9	Very high	88.8	Confident	1 Å²	1	30.1 Å²	30.1	1%	0.007	16%	0.159	C	C	.	.	H	α-helix	trans	-65.5	-33.8	169.2	80.2	0	0	0	0	112.3	F954 Y1026 L1027 F1028 E1033 I1034	F954-S1030 VanDerWaalsContact CE2-OG 3.29Å; F954-S1030 WeakPolarHBondContact CE2-OG 3.32Å; F954-S1030 WeakPolarHBondContact CZ-OG 3.2Å; Y1026-S1030 VanDerWaalsContact O-CB 3.25Å; Y1026-S1030 WeakPolarHBondContact O-CB 3.5Å; Y1026-S1030 PolarHBondContact O-N 3.13Å; Y1026-S1030 PolarHBondContact O-OG 2.91Å; L1027-S1030 PolarHBondContact O-N 2.87Å; L1027-S1030 PolarHBondContact O-OG 3.12Å; F1028-S1030 VanDerWaalsContact C-N 3.3Å; F1028-S1030 PolarHBondContact O-N 3.38Å; S1030-E1033 PolarHBondContact O-N 2.89Å; S1030-I1034 WeakPolarHBondContact O-CB 3.49Å; S1030-I1034 WeakPolarHBondContact O-CG2 3.27Å; S1030-I1034 PolarHBondContact O-N 2.77Å
1031	F	92.3	Very high	89.8	Confident	0 Å²	0	25 Å²	25	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-66.1	-48.6	172	-62.1	-27.5	0	0	0	111.7	F954 I991 H994 L1027 F1028 L1029 E1033 I1034 I1035	F954-F1031 AromaticContact CE2-CD1 3.97Å; F954-F1031 HydrophobicContact CE2-CD1 3.97Å; F954-F1031 HydrophobicContact CE2-CE1 4.16Å; F954-F1031 AromaticContact CZ-CD1 3.94Å; F954-F1031 HydrophobicContact CZ-CD1 3.94Å; F954-F1031 AromaticContact CZ-CE1 3.65Å; F954-F1031 HydrophobicContact CZ-CE1 3.65Å; I991-F1031 HydrophobicContact CB-CE1 4.37Å; I991-F1031 HydrophobicContact CG1-CE1 3.73Å; I991-F1031 HydrophobicContact CG1-CZ 3.81Å; H994-F1031 HydrophobicContact CB-CD1 4.45Å; H994-F1031 AromaticContact CD2-CD1 3.84Å; H994-F1031 AromaticContact CD2-CD2 3.72Å; H994-F1031 AromaticContact CD2-CG 3.61Å; L1027-F1031 HydrophobicContact CD1-CE1 3.72Å; L1027-F1031 HydrophobicContact CD1-CE2 4.43Å; L1027-F1031 HydrophobicContact CD1-CZ 3.64Å; L1027-F1031 HydrophobicContact CD2-CE2 4.39Å; L1027-F1031 HydrophobicContact CD2-CZ 4.02Å; L1027-F1031 HydrophobicContact CG-CE1 4.11Å; L1027-F1031 HydrophobicContact CG-CE2 3.91Å; L1027-F1031 HydrophobicContact CG-CZ 3.57Å; L1027-F1031 WeakPolarHBondContact O-CG 3.36Å; L1027-F1031 PolarHBondContact O-N 2.89Å; F1028-F1031 WeakPolarHBondContact O-CB 3.25Å; F1028-F1031 PolarHBondContact O-N 3.4Å; F1028-F1031 VanDerWaalsContact O-N 3.11Å; L1029-F1031 VanDerWaalsContact C-N 3.32Å; F1031-E1033 VanDerWaalsContact C-N 3.27Å; F1031-E1033 PolarHBondContact O-N 2.86Å; F1031-I1034 WeakPolarHBondContact O-CG2 3.37Å; F1031-I1034 PolarHBondContact O-N 3.43Å; F1031-I1035 WeakPolarHBondContact O-CB 3.38Å; F1031-I1035 VanDerWaalsContact O-CD1 3.28Å; F1031-I1035 WeakPolarHBondContact O-CD1 3.24Å; F1031-I1035 WeakPolarHBondContact O-CG1 3.37Å; F1031-I1035 PolarHBondContact O-N 2.94Å
1032	L	93.5	Very high	91	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-61.1	-42.7	176.1	-62.1	-170.5	0	0	0	110.7	Y717 I748 R750 L1015 F1028 L1029 T1036 L1044	Y717-L1032 HydrophobicContact CD2-CB 4.47Å; Y717-L1032 HydrophobicContact CE2-CB 3.79Å; Y717-L1032 HydrophobicContact CE2-CD1 4.44Å; I748-L1032 HydrophobicContact CD1-CD1 4.19Å; R750-L1032 PolarHBondContact NH1-O 2.83Å; L1015-L1032 HydrophobicContact CD1-CD1 4.46Å; L1015-L1032 HydrophobicContact CD1-CD2 3.74Å; F1028-L1032 HydrophobicContact CD1-CD1 4.41Å; F1028-L1032 HydrophobicContact CE1-CD1 3.68Å; F1028-L1032 HydrophobicContact CE1-CG 4.21Å; F1028-L1032 HydrophobicContact CE2-CD2 4.37Å; F1028-L1032 HydrophobicContact CE2-CG 4.4Å; F1028-L1032 HydrophobicContact CZ-CD1 3.8Å; F1028-L1032 HydrophobicContact CZ-CD2 4.17Å; F1028-L1032 HydrophobicContact CZ-CG 4.05Å; F1028-L1032 PolarHBondContact O-N 3.34Å; F1028-L1032 VanDerWaalsContact O-N 3.09Å; L1029-L1032 HydrophobicContact CD2-CD1 4.29Å; L1029-L1032 PolarHBondContact O-N 3.43Å; L1032-T1036 PolarHBondContact O-N 3.47Å; L1032-T1036 VanDerWaalsContact O-N 3.16Å; L1032-T1036 PolarHBondContact O-OG1 3.16Å; L1032-L1044 HydrophobicContact CD2-CD1 4.31Å; L1032-L1044 HydrophobicContact CD2-CD2 3.95Å
1033	E	93.8	Very high	92	Very high	17 Å²	17	13.3 Å²	13.3	8%	0.079	7%	0.068	C	C	.	.	H	α-helix	trans	-57.2	-56.3	177.9	178	71.6	178.7	0	0	110.5	Y717 W721 R722 R750 L957 L1029 S1030 F1031 T1036 R1037	Y717-E1033 PolarHBondContact OH-OE2 3.3Å; W721-E1033 HydrophobicContact CZ2-CB 3.83Å; W721-E1033 HydrophobicContact CZ2-CG 3.97Å; R722-E1033 IonicContact CZ-OE1 2.95Å; R722-E1033 IonicContact NH2-OE1 2.85Å; R722-E1033 PolarHBondContact NH2-OE1 3.02Å; R750-E1033 IonicContact CZ-OE2 3.11Å; R750-E1033 VanDerWaalsContact CZ-OE2 3.25Å; R750-E1033 VanDerWaalsContact NH1-CA 3.3Å; R750-E1033 PolarHBondContact NH1-O 3.31Å; R750-E1033 IonicContact NH1-OE2 2.72Å; R750-E1033 PolarHBondContact NH1-OE2 2.97Å; R750-E1033 VanDerWaalsContact NH2-CD 3.29Å; R750-E1033 IonicContact NH2-OE1 2.81Å; R750-E1033 PolarHBondContact NH2-OE1 3.35Å; R750-E1033 IonicContact NH2-OE2 3.82Å; R750-E1033 PolarHBondContact NH2-OE2 3.3Å; L957-E1033 HydrophobicContact CD1-CG 4.18Å; L957-E1033 HydrophobicContact CD2-CB 4.07Å; L957-E1033 HydrophobicContact CD2-CG 3.78Å; L1029-E1033 WeakPolarHBondContact O-CB 3.43Å; L1029-E1033 PolarHBondContact O-N 2.95Å; S1030-E1033 PolarHBondContact O-N 2.89Å; F1031-E1033 VanDerWaalsContact C-N 3.27Å; F1031-E1033 PolarHBondContact O-N 2.86Å; E1033-T1036 PolarHBondContact O-N 2.79Å; E1033-R1037 WeakPolarHBondContact O-CB 3.27Å; E1033-R1037 PolarHBondContact O-N 3.2Å
1034	I	92.9	Very high	92.9	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-65.6	-45.1	-174.8	-164	63.2	0	0	0	111.5	F954 L995 H998 S1030 F1031 T1036 R1037	F954-I1034 HydrophobicContact CD2-CB 4.19Å; F954-I1034 HydrophobicContact CD2-CG1 4.37Å; F954-I1034 HydrophobicContact CD2-CG2 4.1Å; F954-I1034 HydrophobicContact CE2-CG2 4.31Å; L995-I1034 HydrophobicContact CD2-CG1 3.78Å; L995-I1034 HydrophobicContact CD2-CG2 4.1Å; H998-I1034 HydrophobicContact CB-CG1 4.48Å; H998-I1034 PolarHBondContact CE1-O 3.44Å; H998-I1034 VanDerWaalsContact CG-O 3.26Å; H998-I1034 PolarHBondContact ND1-O 2.58Å; S1030-I1034 WeakPolarHBondContact O-CB 3.49Å; S1030-I1034 WeakPolarHBondContact O-CG2 3.27Å; S1030-I1034 PolarHBondContact O-N 2.77Å; F1031-I1034 WeakPolarHBondContact O-CG2 3.37Å; F1031-I1034 PolarHBondContact O-N 3.43Å; I1034-T1036 PolarHBondContact O-N 3.07Å; I1034-R1037 PolarHBondContact O-N 3.2Å
1035	I	92.4	Very high	93.3	Very high	3 Å²	3	13 Å²	13	2%	0.015	7%	0.066	C	C	.	.	H	α-helix	trans	-57.5	-41.3	-179.4	-68.5	165.2	0	0	0	110.8	H994 T997 L1001 I1013 P1016 F1031 L1039	H994-I1035 HydrophobicContact CB-CD1 4.04Å; H994-I1035 HydrophobicContact CB-CG1 4.11Å; T997-I1035 HydrophobicContact CG2-CG2 4.23Å; L1001-I1035 HydrophobicContact CD1-CG2 3.71Å; L1001-I1035 WeakPolarHBondContact CD1-O 3.45Å; I1013-I1035 HydrophobicContact CD1-CG2 4.26Å; P1016-I1035 HydrophobicContact CG-CD1 3.85Å; F1031-I1035 WeakPolarHBondContact O-CB 3.38Å; F1031-I1035 VanDerWaalsContact O-CD1 3.28Å; F1031-I1035 WeakPolarHBondContact O-CD1 3.24Å; F1031-I1035 WeakPolarHBondContact O-CG1 3.37Å; F1031-I1035 PolarHBondContact O-N 2.94Å; I1035-L1039 WeakPolarHBondContact O-CD1 3.37Å
1036	T	93.3	Very high	93.6	Very high	3 Å²	3	15 Å²	15	2%	0.018	7%	0.074	C	C	.	.	H	α-helix	trans	-106	7.4	-168.8	60.1	0	0	0	0	114.4	R750 L1032 E1033 I1034 V1042 L1044	R750-T1036 WeakPolarHBondContact CD-OG1 3.22Å; R750-T1036 PolarHBondContact NH1-OG1 3.27Å; L1032-T1036 PolarHBondContact O-N 3.47Å; L1032-T1036 VanDerWaalsContact O-N 3.16Å; L1032-T1036 PolarHBondContact O-OG1 3.16Å; E1033-T1036 PolarHBondContact O-N 2.79Å; I1034-T1036 PolarHBondContact O-N 3.07Å; T1036-V1042 HydrophobicContact CG2-CB 3.88Å; T1036-V1042 HydrophobicContact CG2-CG1 3.61Å; T1036-V1042 HydrophobicContact CG2-CG2 4.05Å; T1036-L1044 HydrophobicContact CG2-CD1 4.18Å; T1036-L1044 HydrophobicContact CG2-CD2 4.1Å; T1036-L1044 HydrophobicContact CG2-CG 4.3Å
1037	R	91.1	Very high	93.5	Very high	63 Å²	63	14.6 Å²	14.6	24%	0.238	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	144.6	-180	-171.8	169.6	-174.9	174.8	2.4	112.1	R953 Q1002 E1033 I1034 L1039	R953-R1037 VanDerWaalsContact NH2-CZ 3.32Å; R953-R1037 VanDerWaalsContact NH2-NE 3.19Å; Q1002-R1037 PolarHBondContact NE2-O 3.24Å; E1033-R1037 WeakPolarHBondContact O-CB 3.27Å; E1033-R1037 PolarHBondContact O-N 3.2Å; I1034-R1037 PolarHBondContact O-N 3.2Å; R1037-L1039 PolarHBondContact O-N 3.25Å
1038	D	90.6	Very high	93.2	Very high	93 Å²	93	15.9 Å²	15.9	50%	0.497	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	32.4	176	-54.4	-31.2	0	0	0	113	R953 Q1002	R953-D1038 IonicContact CZ-OD2 2.58Å; R953-D1038 IonicContact NH1-OD2 2.87Å; R953-D1038 PolarHBondContact NH1-OD2 3.01Å; R953-D1038 VanDerWaalsContact NH1-OD2 3.11Å; R953-D1038 IonicContact NH2-OD2 2.98Å; R953-D1038 PolarHBondContact NH2-OD2 3.32Å; Q1002-D1038 PolarHBondContact NE2-O 3.38Å
1039	L	93.6	Very high	92.7	Very high	19 Å²	19	20.6 Å²	20.6	10%	0.099	10%	0.102	C	C	.	.	S	Bend	trans	-119.6	161.1	-179.7	-72.8	176.7	0	0	0	111.5	L1001 Q1002 I1011 I1035 R1037 V1042	L1001-L1039 HydrophobicContact CB-CD1 3.72Å; L1001-L1039 HydrophobicContact CB-CD2 4.37Å; L1001-L1039 HydrophobicContact CD1-CD1 3.99Å; L1001-L1039 HydrophobicContact CG-CD1 4.37Å; Q1002-L1039 HydrophobicContact CG-CD2 4.45Å; I1011-L1039 HydrophobicContact CD1-CB 4.15Å; I1011-L1039 HydrophobicContact CD1-CD1 3.97Å; I1011-L1039 HydrophobicContact CD1-CD2 4.03Å; I1011-L1039 HydrophobicContact CD1-CG 4.27Å; I1035-L1039 WeakPolarHBondContact O-CD1 3.37Å; R1037-L1039 PolarHBondContact O-N 3.25Å; L1039-V1042 HydrophobicContact CB-CG2 4.08Å; L1039-V1042 HydrophobicContact CD1-CG2 4.43Å
1040	P	93.5	Very high	92.4	Very high	25 Å²	25	26.4 Å²	26.4	16%	0.162	13%	0.128	C	C	.	.	S	Bend	trans	-59.8	176.8	166.7	27.8	-36.4	0	0	0	111.2	K1006 T1008 I1011 V1042	K1006-P1040 WeakPolarHBondContact O-CD 3.46Å; T1008-P1040 WeakPolarHBondContact O-CB 3.43Å; T1008-P1040 WeakPolarHBondContact O-CG 3.36Å; I1011-P1040 HydrophobicContact CD1-CG 3.84Å; I1011-P1040 HydrophobicContact CG1-CG 4.08Å; P1040-V1042 WeakPolarHBondContact O-CG2 3.16Å; P1040-V1042 PolarHBondContact O-N 2.91Å
1041	P	95.3	Very high	92.2	Very high	30 Å²	30	32.1 Å²	32.1	20%	0.195	16%	0.158	C	C	.	.			trans	-45.4	129.5	176.1	-32	38.3	0	0	0	112.4	R750 L751 L1010 I1011	R750-P1041 WeakPolarHBondContact O-CA 3.33Å; L751-P1041 HydrophobicContact CD2-CB 3.81Å; L751-P1041 HydrophobicContact CD2-CG 4.04Å; L1010-P1041 HydrophobicContact CD1-CB 4.02Å; L1010-P1041 WeakPolarHBondContact CD1-O 3.48Å; I1011-P1041 PolarHBondContact N-O 3.1Å
1042	V	97.5	Very high	92	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	125.8	-179.9	-169.7	0	0	0	0	109.7	R750 I1011 I1013 T1036 L1039 P1040 L1044	R750-V1042 PolarHBondContact N-O 3.47Å; R750-V1042 PolarHBondContact O-N 2.62Å; I1011-V1042 HydrophobicContact CB-CG1 4.19Å; I1011-V1042 HydrophobicContact CB-CG2 4.23Å; I1011-V1042 HydrophobicContact CD1-CG2 4.38Å; I1011-V1042 HydrophobicContact CG2-CG1 4.14Å; I1011-V1042 CarbonylContact O-C 3.56Å; I1011-V1042 WeakPolarHBondContact O-CA 3.38Å; I1013-V1042 HydrophobicContact CG2-CG1 3.69Å; T1036-V1042 HydrophobicContact CG2-CB 3.88Å; T1036-V1042 HydrophobicContact CG2-CG1 3.61Å; T1036-V1042 HydrophobicContact CG2-CG2 4.05Å; L1039-V1042 HydrophobicContact CB-CG2 4.08Å; L1039-V1042 HydrophobicContact CD1-CG2 4.43Å; P1040-V1042 WeakPolarHBondContact O-CG2 3.16Å; P1040-V1042 PolarHBondContact O-N 2.91Å; V1042-L1044 HydrophobicContact CG1-CG 4.46Å
1043	L	97.8	Very high	91.6	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	113	169.6	-177.5	68.1	0	0	0	108.9	F635 F714 C747 L749 V887 L1010 I1011 V1012 I1013 V1045	F635-L1043 HydrophobicContact CE1-CD1 3.98Å; F635-L1043 HydrophobicContact CE1-CD2 3.88Å; F635-L1043 HydrophobicContact CE1-CG 4.42Å; F635-L1043 HydrophobicContact CZ-CB 4.39Å; F635-L1043 HydrophobicContact CZ-CD1 4.42Å; F635-L1043 HydrophobicContact CZ-CD2 4.03Å; F714-L1043 HydrophobicContact CE1-CD1 4.45Å; F714-L1043 HydrophobicContact CE2-CD1 3.73Å; F714-L1043 HydrophobicContact CZ-CD1 3.46Å; F714-L1043 VanDerWaalsContact CZ-CD1 3.46Å; C747-L1043 HydrophobicContact CB-CD1 4.23Å; L749-L1043 HydrophobicContact CB-CD1 4.28Å; L749-L1043 HydrophobicContact CD1-CD1 4.36Å; V887-L1043 HydrophobicContact CG1-CD2 3.67Å; L1010-L1043 HydrophobicContact CD1-CB 4.5Å; I1011-L1043 PolarHBondContact O-N 2.89Å; V1012-L1043 CarbonylContact C-O 3.58Å; V1012-L1043 WeakPolarHBondContact CA-O 2.97Å; V1012-L1043 HydrophobicContact CG1-CB 4.5Å; V1012-L1043 HydrophobicContact CG1-CD2 4.2Å; V1012-L1043 HydrophobicContact CG2-CB 4.35Å; V1012-L1043 HydrophobicContact CG2-CD2 4.42Å; I1013-L1043 PolarHBondContact N-O 3.05Å; L1043-V1045 HydrophobicContact CD2-CG2 3.71Å; L1043-V1045 HydrophobicContact CG-CG2 3.65Å
1044	L	97.3	Very high	91	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	123.5	172.6	-60.2	130.6	0	0	0	108.6	C747 I748 I1013 L1015 L1032 T1036 V1042	C747-L1044 CarbonylContact C-O 3.52Å; C747-L1044 VanDerWaalsContact CA-O 3.28Å; C747-L1044 WeakPolarHBondContact CA-O 3.41Å; I748-L1044 HydrophobicContact CB-CB 4.23Å; I748-L1044 HydrophobicContact CB-CD1 4.1Å; I748-L1044 HydrophobicContact CG2-CD1 4.24Å; I748-L1044 PolarHBondContact N-O 3.15Å; I748-L1044 PolarHBondContact O-N 3.39Å; I1013-L1044 HydrophobicContact CG2-CD2 3.82Å; I1013-L1044 HydrophobicContact CG2-CG 4.13Å; I1013-L1044 CarbonylContact O-C 3.55Å; I1013-L1044 VanDerWaalsContact O-CA 3.27Å; I1013-L1044 WeakPolarHBondContact O-CA 3.15Å; L1015-L1044 HydrophobicContact CB-CB 3.81Å; L1015-L1044 HydrophobicContact CD1-CB 3.68Å; L1015-L1044 HydrophobicContact CD1-CD2 4.15Å; L1015-L1044 HydrophobicContact CD1-CG 4.34Å; L1015-L1044 HydrophobicContact CG-CB 4.3Å; L1032-L1044 HydrophobicContact CD2-CD1 4.31Å; L1032-L1044 HydrophobicContact CD2-CD2 3.95Å; T1036-L1044 HydrophobicContact CG2-CD1 4.18Å; T1036-L1044 HydrophobicContact CG2-CD2 4.1Å; T1036-L1044 HydrophobicContact CG2-CG 4.3Å; V1042-L1044 HydrophobicContact CG1-CG 4.46Å
1045	V	96.4	Very high	90.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	129.9	-174	-178.3	0	0	0	0	111.1	L883 V1012 I1013 S1014 L1015 L1043	L883-V1045 HydrophobicContact CB-CG1 4.36Å; L883-V1045 HydrophobicContact CD2-CG1 3.88Å; L883-V1045 HydrophobicContact CG-CG1 3.92Å; V1012-V1045 HydrophobicContact CG1-CG2 3.75Å; I1013-V1045 PolarHBondContact O-N 2.59Å; S1014-V1045 CarbonylContact C-O 3.53Å; S1014-V1045 VanDerWaalsContact CA-O 3.3Å; S1014-V1045 WeakPolarHBondContact CA-O 3.16Å; L1015-V1045 PolarHBondContact N-O 3.24Å; L1043-V1045 HydrophobicContact CD2-CG2 3.71Å; L1043-V1045 HydrophobicContact CG-CG2 3.65Å
1046	R	94.4	Very high	88.8	Confident	44 Å²	44	46.6 Å²	46.6	17%	0.166	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	123.4	166.1	-170.7	70.1	178.9	147.5	7.7	109.5	F740 A745 V746 S878 D879 L1015 V1017	F740-R1046 HydrophobicContact CE1-CB 4.04Å; F740-R1046 HydrophobicContact CE1-CG 3.82Å; F740-R1046 HydrophobicContact CZ-CB 4.02Å; F740-R1046 HydrophobicContact CZ-CG 3.88Å; A745-R1046 CarbonylContact C-O 3.51Å; A745-R1046 WeakPolarHBondContact CA-O 3.35Å; A745-R1046 VanDerWaalsContact CB-O 3.27Å; A745-R1046 WeakPolarHBondContact CB-O 3.45Å; V746-R1046 PolarHBondContact N-O 3.49Å; V746-R1046 PolarHBondContact O-N 2.99Å; S878-R1046 PolarHBondContact OG-NH1 2.81Å; D879-R1046 PolarHBondContact O-NH1 3.26Å; L1015-R1046 HydrophobicContact CB-CB 4.01Å; L1015-R1046 HydrophobicContact CD2-CB 4.14Å; L1015-R1046 HydrophobicContact CG-CB 4.45Å; V1017-R1046 HydrophobicContact CG2-CG 3.86Å
1047	G	90	Very high	87.1	Confident	4 Å²	4	55.3 Å²	55.3	4%	0.041	29%	0.286	C	S	.	.			trans	-82.7	161.9	173.6	0	0	0	0	0	113.1	D880 Q1049	D880-G1047 WeakPolarHBondContact O-CA 3.18Å; G1047-Q1049 PolarHBondContact O-N 2.98Å
1048	N	85.1	Confident	86.9	Confident	28 Å²	28	55 Å²	55	15%	0.15	29%	0.288	C	S	.	.			trans	-85.7	22.4	179.4	65.2	-8.2	0	0	0	113.8	D743 K1050	D743-N1048 WeakPolarHBondContact O-CB 3.31Å; D743-N1048 PolarHBondContact O-ND2 2.62Å; N1048-K1050 PolarHBondContact O-N 2.87Å; N1048-K1050 VanDerWaalsContact O-N 3.11Å; N1048-K1050 WeakPolarHBondContact OD1-CB 3.41Å; N1048-K1050 PolarHBondContact OD1-N 2.81Å
1049	Q	81.1	Confident	86.7	Confident	101 Å²	101	52.9 Å²	52.9	47%	0.472	28%	0.277	S	S	.	.	S	Bend	trans	62.7	11.7	-179.2	-50.6	-59.7	-60	0	0	115.3	D879 G1047	D879-Q1049 PolarHBondContact O-NE2 3.26Å; G1047-Q1049 PolarHBondContact O-N 2.98Å
1050	K	86.1	Confident	86.3	Confident	123 Å²	123	54.8 Å²	54.8	54%	0.535	29%	0.287	S	S	.	.	S	Bend	trans	-92.9	138.4	168.5	-64.2	-175.8	179.9	177.1	0	110.2	G881 N1048 V1052	G881-K1050 WeakPolarHBondContact CA-O 3.46Å; N1048-K1050 PolarHBondContact O-N 2.87Å; N1048-K1050 VanDerWaalsContact O-N 3.11Å; N1048-K1050 WeakPolarHBondContact OD1-CB 3.41Å; N1048-K1050 PolarHBondContact OD1-N 2.81Å; K1050-V1052 PolarHBondContact O-N 3.25Å
1051	N	87.8	Confident	85.9	Confident	120 Å²	120	56.6 Å²	56.6	64%	0.642	29%	0.294	S	S	*	.			trans	-66	121.8	177.3	-68.3	-24.5	0	0	0	110.7	V612	V612-N1051 WeakPolarHBondContact CG2-O 3.23Å
1052	V	88.6	Confident	85.3	Confident	7 Å²	7	58.3 Å²	58.3	4%	0.042	30%	0.301	C	S	.	.			trans	-109	-8	176.4	-55.6	0	0	0	0	112.8	Y615 G881 L883 L886 K1050	Y615-V1052 HydrophobicContact CD1-CB 3.74Å; Y615-V1052 HydrophobicContact CD1-CG1 4.01Å; Y615-V1052 HydrophobicContact CD2-CB 4.38Å; Y615-V1052 HydrophobicContact CD2-CG1 3.95Å; Y615-V1052 HydrophobicContact CE1-CB 3.72Å; Y615-V1052 HydrophobicContact CE1-CG1 3.63Å; Y615-V1052 HydrophobicContact CE2-CB 4.35Å; Y615-V1052 HydrophobicContact CE2-CG1 3.56Å; Y615-V1052 HydrophobicContact CG-CB 4.08Å; Y615-V1052 HydrophobicContact CG-CG1 4.16Å; G881-V1052 WeakPolarHBondContact O-CG2 3.26Å; G881-V1052 PolarHBondContact O-N 3Å; L883-V1052 HydrophobicContact CB-CG2 4.1Å; L883-V1052 HydrophobicContact CD1-CG2 4.34Å; L886-V1052 HydrophobicContact CB-CG2 4.13Å; L886-V1052 HydrophobicContact CD2-CB 3.94Å; L886-V1052 HydrophobicContact CD2-CG2 3.76Å; K1050-V1052 PolarHBondContact O-N 3.25Å
1053	L	85.5	Confident	84.5	Confident	32 Å²	32	62.1 Å²	62.1	17%	0.168	32%	0.32	C	S	.	.			trans	-121.2	142.2	173.8	-69.6	175.3	0	0	0	110.1	G882 L885 L886 F929 I931	G882-L1053 WeakPolarHBondContact O-CD1 3.35Å; L885-L1053 HydrophobicContact CB-CD1 3.79Å; L885-L1053 HydrophobicContact CD1-CD1 4.49Å; L886-L1053 HydrophobicContact CB-CD1 4.36Å; L886-L1053 HydrophobicContact CB-CD2 4.07Å; L886-L1053 HydrophobicContact CB-CG 4.16Å; L886-L1053 HydrophobicContact CD1-CD2 3.86Å; L886-L1053 HydrophobicContact CG-CD2 4.43Å; F929-L1053 HydrophobicContact CD1-CB 4.31Å; F929-L1053 HydrophobicContact CD2-CD1 4.24Å; F929-L1053 HydrophobicContact CE1-CB 4.1Å; F929-L1053 HydrophobicContact CE2-CB 4.33Å; F929-L1053 HydrophobicContact CE2-CD1 4.4Å; F929-L1053 HydrophobicContact CZ-CB 4.11Å; I931-L1053 HydrophobicContact CD1-CD1 4.05Å
1054	T	81.5	Confident	83.5	Confident	55 Å²	55	66.5 Å²	66.5	34%	0.337	34%	0.343	S	S	.	.			trans	-142.5	154.1	170.6	-167.1	0	0	0	0	109.3	V612 K613	V612-T1054 HydrophobicContact CB-CG2 4.42Å; V612-T1054 HydrophobicContact CG1-CG2 3.45Å; V612-T1054 VanDerWaalsContact CG1-CG2 3.45Å; V612-T1054 HydrophobicContact CG2-CG2 4.2Å; K613-T1054 HydrophobicContact CG-CG2 3.97Å
1055	F	73.9	Confident	82.5	Confident	94 Å²	94	71.6 Å²	71.6	41%	0.412	37%	0.369	S	S	.	.			trans	-98.8	164.3	167.1	56.7	-92.3	0	0	0	110.8	L925 K928 F929	L925-F1055 HydrophobicContact CD1-CD1 4.49Å; K928-F1055 HydrophobicContact CB-CB 3.73Å; K928-F1055 HydrophobicContact CB-CG 4.13Å; K928-F1055 HydrophobicContact CD-CD1 4.47Å; K928-F1055 HydrophobicContact CD-CD2 4.39Å; K928-F1055 HydrophobicContact CD-CG 4.29Å; F929-F1055 HydrophobicContact CD1-CB 4.12Å; F929-F1055 HydrophobicContact CE1-CB 4.3Å; F929-F1055 AromaticContact CE1-CD1 3.91Å; F929-F1055 HydrophobicContact CE1-CD1 3.91Å
1056	Y	64.3	Low	81.3	Confident	137 Å²	137	77.6 Å²	77.6	54%	0.537	40%	0.4	S	S	.	.			trans	-96	132.7	176.3	-57.8	-92.2	0	0	0	108.6	K613	K613-Y1056 HydrophobicContact CD-CE1 3.8Å; K613-Y1056 HydrophobicContact CG-CE1 4.22Å
1057	S	57.8	Low	80.1	Confident	186 Å²	186	80.6 Å²	80.6	100%	1.301	42%	0.422	S	S	*	.			trans	-84.7	0	159.5	62.6	0	0	0	0	109.9

Retrieved 1,057 of 1,057 residues in 747 ms (Link to these results)

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