A0A5K4FBR1_SCHMA Loading...

Pentatricopeptide repeat-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FBR1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 852 aa.

						>A0A5K4FBR1_SCHMA|A0A5K4FBR1
MIIGCSRICSLLKSSLYHYRIQPITACSLLLWRRSQSHYKANLSTRDLVEVINQKAKIHRYIKPQEPEESLYVNSLERCDSEEELNVISENDQFDFGALNADNLDPQPYHESLVTRSMYNIEKKSVIDELLSNDEPEEDPADCLRLSKIYRRHPPEHYLKLIKRYCRAGDTNSALSVFFSEMLEKDRVLPSRVHAHMVLDGLARVGDSENAFRVYKKMTELGINATQATYSRLFRACAEDIATWFRRNRTLIPPVVIRTENHSSLLQRKMLALQKALAPDMSPDNFGGPALHKVYRFWRRLTEKNIPMNQFTYNALILALAKAGDIHGCLRALDMMLATENSERFSQGSVGCKNKWLVPDSFTITSVLSSIEPATMKRNLESCHRRMDSSEQSANSNDVFNRLSPFQLALSLWHDLVPLSNNDIAPHNFTLLTRIMGLKNDCLDANNNCEIIFVNNSRYKSFEDIFKSSVDPSNSVNLIHPSCTSRELASMMIAQATQSSLLDSTSTTELDSTSNEPVIYETPESPQFDWNNTMLALRSPINLLLPTDKPIVICGPKDQGLYPWQRLALVGGLYGLLDIIENHYKLKLNISFFTCIIRLLPPPVKSDQCYTNDAFDTWETEVLNLLSRFKLTVDTTLYNALIHRRTSAGLNANHLLADMTRNGLIPNQITWGCLARGCQTKESVKQLLRGFEVAATTPLSSSDLEANSISREQNVQSLIIRPSFTFFSTILSTSGFDWELKAFVIEYMRRPIHVDELSDKNSTIPKRNVYGNQVSNHFDGFVLDRRVIASIDIDIGLFRELLVKGIIPMDGSPVQGSETGGFRVYPNAVRSFYRFYKIYKSWLRESPVDKPR
					

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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	33.9	Very low	38.9	Very low	233 Å²	233	120.9 Å²	120.9	100%	1.148	66%	0.664	S	S	*	*				0	13.1	0	-80.8	-167.2	175.2	0	0	114.4	I3	M1-I3 VanDerWaalsContact C-N 3.25Å; M1-I3 PolarHBondContact O-N 3.35Å
2	I	35.7	Very low	38.8	Very low	164 Å²	164	117.8 Å²	117.8	84%	0.841	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-75.2	-10.2	-174.8	-65.1	166.1	0	0	0	113.1
3	I	38	Very low	38.6	Very low	157 Å²	157	121.3 Å²	121.3	81%	0.805	65%	0.65	S	S	*	*	G	3₁₀ helix	trans	-84.2	-9.9	-176.5	-60.8	168.4	0	0	0	112.7	M1	M1-I3 VanDerWaalsContact C-N 3.25Å; M1-I3 PolarHBondContact O-N 3.35Å
4	G	37.4	Very low	38.4	Very low	45 Å²	45	118.9 Å²	118.9	46%	0.464	65%	0.647	S	S	.	*	G	3₁₀ helix	trans	-78.5	-23.5	-178.6	0	0	0	0	0	115.6
5	C	36	Very low	38.3	Very low	87 Å²	87	115.7 Å²	115.7	59%	0.588	64%	0.637	S	S	*	*	H	α-helix	trans	-79.5	-23.5	-172	-73	0	0	0	0	114.2	C9	C5-C9 WeakPolarHBondContact O-CB 3.41Å; C5-C9 PolarHBondContact O-N 3.4Å; C5-C9 PolarHBondContact O-SG 3.06Å
6	S	41.5	Very low	38.2	Very low	86 Å²	86	115.3 Å²	115.3	60%	0.601	63%	0.633	S	S	*	*	H	α-helix	trans	-72.9	-36.6	-175.4	78.3	0	0	0	0	112.9	S10	S6-S10 PolarHBondContact O-N 3.41Å; S6-S10 PolarHBondContact O-OG 3.39Å
7	R	39.9	Very low	38	Very low	196 Å²	196	120.6 Å²	120.6	74%	0.74	64%	0.643	S	S	*	*	H	α-helix	trans	-71.6	-34.7	177.3	-78.7	-174.6	175.5	-179.3	-0.9	112.8	S10 L11	R7-S10 PolarHBondContact O-OG 2.65Å; R7-S10 VanDerWaalsContact O-OG 3.05Å; R7-L11 PolarHBondContact O-N 3Å; R7-L11 VanDerWaalsContact O-N 3.13Å
8	I	46	Very low	37.7	Very low	106 Å²	106	123 Å²	123	54%	0.544	65%	0.65	S	S	.	*	H	α-helix	trans	-72.4	-40.3	177.1	-61.5	173.1	0	0	0	109.7	S10 L11 L12	I8-S10 PolarHBondContact O-N 3.47Å; I8-L11 PolarHBondContact O-N 3.43Å; I8-L12 HydrophobicContact CG2-CD1 3.86Å; I8-L12 WeakPolarHBondContact O-CB 3.48Å; I8-L12 VanDerWaalsContact O-CG 3.3Å; I8-L12 WeakPolarHBondContact O-CG 3.49Å; I8-L12 PolarHBondContact O-N 3.02Å
9	C	39.4	Very low	37.5	Very low	72 Å²	72	126.5 Å²	126.5	49%	0.486	66%	0.655	S	S	.	*	H	α-helix	trans	-67.4	-31.8	174.3	-77.5	0	0	0	0	113.4	C5 K13	C5-C9 WeakPolarHBondContact O-CB 3.41Å; C5-C9 PolarHBondContact O-N 3.4Å; C5-C9 PolarHBondContact O-SG 3.06Å; C9-K13 WeakPolarHBondContact O-CB 3.46Å; C9-K13 WeakPolarHBondContact O-CG 3.29Å; C9-K13 PolarHBondContact O-N 3.1Å
10	S	40.3	Very low	37.2	Very low	68 Å²	68	133.3 Å²	133.3	48%	0.476	67%	0.671	S	S	.	*	H	α-helix	trans	-72.5	-38.3	175.6	69.4	0	0	0	0	112.3	S6 R7 I8 L12 K13 S14	S6-S10 PolarHBondContact O-N 3.41Å; S6-S10 PolarHBondContact O-OG 3.39Å; R7-S10 PolarHBondContact O-OG 2.65Å; R7-S10 VanDerWaalsContact O-OG 3.05Å; I8-S10 PolarHBondContact O-N 3.47Å; S10-L12 VanDerWaalsContact C-N 3.33Å; S10-K13 PolarHBondContact O-N 3.47Å; S10-S14 PolarHBondContact O-N 3Å; S10-S14 VanDerWaalsContact O-N 3.1Å; S10-S14 PolarHBondContact O-OG 3.08Å
11	L	40.2	Very low	36.9	Very low	116 Å²	116	133.1 Å²	133.1	61%	0.607	67%	0.671	S	S	*	*	H	α-helix	trans	-67	-34.3	172.5	-79	162.1	0	0	0	112.3	R7 I8 S14 S15	R7-L11 PolarHBondContact O-N 3Å; R7-L11 VanDerWaalsContact O-N 3.13Å; I8-L11 PolarHBondContact O-N 3.43Å; L11-S14 PolarHBondContact O-OG 3.34Å; L11-S15 WeakPolarHBondContact O-CB 3.48Å; L11-S15 PolarHBondContact O-N 3.46Å; L11-S15 PolarHBondContact O-OG 2.99Å
12	L	38	Very low	36.9	Very low	83 Å²	83	129.5 Å²	129.5	44%	0.435	65%	0.651	S	S	.	*	H	α-helix	trans	-70.8	-38.5	172.7	-76.5	165.2	0	0	0	111.5	I8 S10 S14 S15 L16	I8-L12 HydrophobicContact CG2-CD1 3.86Å; I8-L12 WeakPolarHBondContact O-CB 3.48Å; I8-L12 VanDerWaalsContact O-CG 3.3Å; I8-L12 WeakPolarHBondContact O-CG 3.49Å; I8-L12 PolarHBondContact O-N 3.02Å; S10-L12 VanDerWaalsContact C-N 3.33Å; L12-S14 PolarHBondContact O-N 3.06Å; L12-S15 PolarHBondContact O-N 2.52Å; L12-S15 PolarHBondContact O-OG 3.29Å; L12-L16 HydrophobicContact CB-CD1 4.1Å; L12-L16 HydrophobicContact CD2-CD1 4.36Å; L12-L16 WeakPolarHBondContact O-CB 3.31Å; L12-L16 VanDerWaalsContact O-CD1 3.29Å; L12-L16 WeakPolarHBondContact O-CD1 3.48Å; L12-L16 WeakPolarHBondContact O-CG 3.33Å; L12-L16 PolarHBondContact O-N 3.35Å
13	K	35.1	Very low	37.1	Very low	164 Å²	164	126.9 Å²	126.9	71%	0.713	65%	0.645	S	S	*	*	H	α-helix	trans	-65.7	-34.1	176.3	-84.7	-174.9	175.3	-175.3	0	113.4	C9 S10	C9-K13 WeakPolarHBondContact O-CB 3.46Å; C9-K13 WeakPolarHBondContact O-CG 3.29Å; C9-K13 PolarHBondContact O-N 3.1Å; S10-K13 PolarHBondContact O-N 3.47Å
14	S	36.5	Very low	37.2	Very low	88 Å²	88	126 Å²	126	62%	0.615	64%	0.641	S	S	*	*	H	α-helix	trans	-78.3	-32.4	177.6	62	0	0	0	0	113.1	S10 L11 L12	S10-S14 PolarHBondContact O-N 3Å; S10-S14 VanDerWaalsContact O-N 3.1Å; S10-S14 PolarHBondContact O-OG 3.08Å; L11-S14 PolarHBondContact O-OG 3.34Å; L12-S14 PolarHBondContact O-N 3.06Å
15	S	36.9	Very low	37.5	Very low	71 Å²	71	128.1 Å²	128.1	50%	0.497	64%	0.644	S	S	.	*	H	α-helix	trans	-84.4	-25.6	-179.6	55.6	0	0	0	0	114	L11 L12 Y17	L11-S15 WeakPolarHBondContact O-CB 3.48Å; L11-S15 PolarHBondContact O-N 3.46Å; L11-S15 PolarHBondContact O-OG 2.99Å; L12-S15 PolarHBondContact O-N 2.52Å; L12-S15 PolarHBondContact O-OG 3.29Å; S15-Y17 VanDerWaalsContact C-N 3.32Å; S15-Y17 PolarHBondContact O-N 3.37Å
16	L	35.8	Very low	37.7	Very low	109 Å²	109	126.8 Å²	126.8	57%	0.571	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-7.2	-178.5	-71.8	167.8	0	0	0	114.5	L12 H18	L12-L16 HydrophobicContact CB-CD1 4.1Å; L12-L16 HydrophobicContact CD2-CD1 4.36Å; L12-L16 WeakPolarHBondContact O-CB 3.31Å; L12-L16 VanDerWaalsContact O-CD1 3.29Å; L12-L16 WeakPolarHBondContact O-CD1 3.48Å; L12-L16 WeakPolarHBondContact O-CG 3.33Å; L12-L16 PolarHBondContact O-N 3.35Å; L16-H18 VanDerWaalsContact C-N 3.29Å; L16-H18 PolarHBondContact O-N 2.75Å
17	Y	35.2	Very low	37.4	Very low	206 Å²	206	126.8 Å²	126.8	81%	0.808	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-12.3	174.6	-105.1	-83.7	0	0	0	114	S15	S15-Y17 VanDerWaalsContact C-N 3.32Å; S15-Y17 PolarHBondContact O-N 3.37Å
18	H	32.5	Very low	37.3	Very low	163 Å²	163	120.8 Å²	120.8	76%	0.755	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.4	-9.6	-174.9	-101	-54.6	0	0	0	118.5	L16	L16-H18 VanDerWaalsContact C-N 3.29Å; L16-H18 PolarHBondContact O-N 2.75Å
19	Y	35.1	Very low	36.9	Very low	190 Å²	190	121.2 Å²	121.2	75%	0.745	63%	0.63	S	S	*	*			trans	-144.7	113.8	172.1	-82.1	-82.3	0	0	0	112.2	I21	Y19-I21 PolarHBondContact O-N 2.93Å
20	R	30.8	Very low	37.1	Very low	261 Å²	261	123.8 Å²	123.8	99%	0.985	64%	0.638	S	S	*	*			trans	-65.9	92.2	170.8	-74.5	-177.9	174.4	-179.1	-1	109.7
21	I	31.8	Very low	37	Very low	130 Å²	130	126.5 Å²	126.5	67%	0.667	65%	0.647	S	S	*	*			trans	-130.4	125.6	166.7	-59.8	177	0	0	0	108.8	Y19	Y19-I21 PolarHBondContact O-N 2.93Å
22	Q	32.1	Very low	37.2	Very low	157 Å²	157	128.4 Å²	128.4	73%	0.734	65%	0.646	S	S	*	*			trans	-76.3	149.8	-174.7	-72.2	-179.6	-21.4	0	0	112.8	I24	Q22-I24 VanDerWaalsContact C-N 3.33Å; Q22-I24 PolarHBondContact O-N 3.21Å
23	P	41.3	Very low	36.9	Very low	110 Å²	110	134 Å²	134	71%	0.714	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-7.5	-165.6	-13.3	29.6	0	0	0	116.2	T25	P23-T25 VanDerWaalsContact C-N 3.32Å; P23-T25 PolarHBondContact O-N 3.19Å
24	I	40.1	Very low	36.7	Very low	139 Å²	139	135.7 Å²	135.7	71%	0.713	66%	0.663	S	S	*	*	H	α-helix	trans	-74.8	-23.7	-169.2	-62.2	171.3	0	0	0	112	Q22	Q22-I24 VanDerWaalsContact C-N 3.33Å; Q22-I24 PolarHBondContact O-N 3.21Å
25	T	44.1	Very low	36.9	Very low	88 Å²	88	135.2 Å²	135.2	54%	0.54	66%	0.66	S	S	.	*	H	α-helix	trans	-76.8	-22	-177.8	53.6	0	0	0	0	114.3	P23 S28	P23-T25 VanDerWaalsContact C-N 3.32Å; P23-T25 PolarHBondContact O-N 3.19Å; T25-S28 PolarHBondContact O-OG 3.2Å; T25-S28 VanDerWaalsContact O-OG 3.12Å
26	A	38.5	Very low	36.7	Very low	60 Å²	60	138.3 Å²	138.3	50%	0.496	67%	0.666	S	S	.	*	H	α-helix	trans	-76.9	-35.4	-179	0	0	0	0	0	112.8	L30	A26-L30 PolarHBondContact O-N 3.11Å
27	C	35.1	Very low	36.8	Very low	86 Å²	86	136.6 Å²	136.6	58%	0.581	66%	0.663	S	S	*	*	H	α-helix	trans	-72.9	-35.1	-179.3	-74	0	0	0	0	112.7	L30 L31	C27-L30 PolarHBondContact O-N 3.12Å; C27-L31 PolarHBondContact O-N 2.94Å; C27-L31 VanDerWaalsContact O-N 3.15Å
28	S	37.8	Very low	36.7	Very low	69 Å²	69	134.4 Å²	134.4	48%	0.483	66%	0.66	S	S	.	*	H	α-helix	trans	-68.2	-37.1	178.7	58.1	0	0	0	0	112.3	T25 L31 W32	T25-S28 PolarHBondContact O-OG 3.2Å; T25-S28 VanDerWaalsContact O-OG 3.12Å; S28-L31 PolarHBondContact O-N 3.29Å; S28-W32 VanDerWaalsContact O-CB 3.28Å; S28-W32 WeakPolarHBondContact O-CB 3.36Å; S28-W32 PolarHBondContact O-N 3.01Å
29	L	39.4	Very low	36.8	Very low	116 Å²	116	137.3 Å²	137.3	61%	0.607	67%	0.666	S	S	*	*	H	α-helix	trans	-66.4	-37.4	176.8	-79.8	164.9	0	0	0	112.7	R33	L29-R33 WeakPolarHBondContact O-CB 3.22Å; L29-R33 PolarHBondContact O-N 2.92Å
30	L	42.4	Very low	36.4	Very low	126 Å²	126	136.5 Å²	136.5	66%	0.66	67%	0.666	S	S	*	*	H	α-helix	trans	-73.5	-37	178.2	-75.5	169.6	0	0	0	112.6	A26 C27 R33 R34	A26-L30 PolarHBondContact O-N 3.11Å; C27-L30 PolarHBondContact O-N 3.12Å; L30-R33 PolarHBondContact O-N 2.91Å; L30-R34 PolarHBondContact O-N 3.2Å
31	L	39.6	Very low	36.7	Very low	125 Å²	125	128.7 Å²	128.7	65%	0.654	66%	0.657	S	S	*	*	H	α-helix	trans	-68.2	-38.1	173.7	-74.3	167.8	0	0	0	111.7	C27 S28 R34 S35	C27-L31 PolarHBondContact O-N 2.94Å; C27-L31 VanDerWaalsContact O-N 3.15Å; S28-L31 PolarHBondContact O-N 3.29Å; L31-R34 PolarHBondContact O-N 2.92Å; L31-S35 PolarHBondContact O-N 3.45Å; L31-S35 VanDerWaalsContact O-N 3.16Å
32	W	43.1	Very low	36.7	Very low	156 Å²	156	129.3 Å²	129.3	59%	0.591	66%	0.662	S	S	*	*	H	α-helix	trans	-65.2	-39.3	175.3	-171.6	78.9	0	0	0	112.5	S28 R34 S35	S28-W32 VanDerWaalsContact O-CB 3.28Å; S28-W32 WeakPolarHBondContact O-CB 3.36Å; S28-W32 PolarHBondContact O-N 3.01Å; W32-R34 PolarHBondContact O-N 3.41Å; W32-S35 PolarHBondContact O-N 3.43Å; W32-S35 PolarHBondContact O-OG 3.42Å; W32-S35 VanDerWaalsContact O-OG 3.04Å
33	R	31.6	Very low	36.8	Very low	201 Å²	201	127.7 Å²	127.7	76%	0.758	66%	0.658	S	S	*	*	H	α-helix	trans	-67.2	-26.2	176.3	-145.5	178.7	-168.4	-170.5	3.3	112.7	L29 L30	L29-R33 WeakPolarHBondContact O-CB 3.22Å; L29-R33 PolarHBondContact O-N 2.92Å; L30-R33 PolarHBondContact O-N 2.91Å
34	R	31.4	Very low	37.3	Very low	198 Å²	198	125 Å²	125	75%	0.747	64%	0.641	S	S	*	*	H	α-helix	trans	-82.8	-26.3	179.3	-155.1	173.4	176.6	128	-1.3	112.9	L30 L31 W32 S37	L30-R34 PolarHBondContact O-N 3.2Å; L31-R34 PolarHBondContact O-N 2.92Å; W32-R34 PolarHBondContact O-N 3.41Å; R34-S37 PolarHBondContact O-OG 2.92Å
35	S	40.1	Very low	37.5	Very low	79 Å²	79	124.2 Å²	124.2	55%	0.552	64%	0.644	S	S	*	*	H	α-helix	trans	-76.5	-27.3	178.2	69.7	0	0	0	0	113.3	L31 W32	L31-S35 PolarHBondContact O-N 3.45Å; L31-S35 VanDerWaalsContact O-N 3.16Å; W32-S35 PolarHBondContact O-N 3.43Å; W32-S35 PolarHBondContact O-OG 3.42Å; W32-S35 VanDerWaalsContact O-OG 3.04Å
36	Q	33.2	Very low	38.1	Very low	136 Å²	136	129.7 Å²	129.7	64%	0.636	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-10.2	179.8	-68.9	-133.2	-22.6	0	0	115	H38	Q36-H38 VanDerWaalsContact C-N 3.35Å; Q36-H38 PolarHBondContact O-N 3.33Å
37	S	38.3	Very low	38.8	Very low	72 Å²	72	130.6 Å²	130.6	50%	0.503	65%	0.651	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.3	-11.4	-178.9	67.7	0	0	0	0	114.6	R34	R34-S37 PolarHBondContact O-OG 2.92Å
38	H	33.3	Very low	39.2	Very low	160 Å²	160	130.9 Å²	130.9	74%	0.741	65%	0.646	S	S	*	*	S	Bend	trans	-100.2	-1.8	-168.1	-93.6	-77.8	0	0	0	117.1	Q36	Q36-H38 VanDerWaalsContact C-N 3.35Å; Q36-H38 PolarHBondContact O-N 3.33Å
39	Y	33.9	Very low	40.4	Very low	225 Å²	225	131.5 Å²	131.5	88%	0.882	65%	0.647	S	S	*	*			trans	-118.8	46.2	177.5	-88	-83.1	0	0	0	113.3	A41	Y39-A41 PolarHBondContact O-N 3.39Å
40	K	27.5	Very low	41.4	Very low	173 Å²	173	131.3 Å²	131.3	75%	0.752	64%	0.643	S	S	*	*			trans	-82.1	88.2	165.2	-80.4	-174.3	174.3	-177.9	0	110.3
41	A	35.5	Very low	42.4	Very low	96 Å²	96	129.6 Å²	129.6	79%	0.793	64%	0.637	S	S	*	*			trans	-98.1	106.3	146.4	0	0	0	0	0	106.3	Y39 L43	Y39-A41 PolarHBondContact O-N 3.39Å; A41-L43 PolarHBondContact O-N 2.83Å
42	N	32.2	Very low	43.6	Very low	144 Å²	144	128.3 Å²	128.3	77%	0.77	63%	0.63	S	S	*	*			trans	-69	81.9	-168.9	-66.9	-39.3	0	0	0	112.6
43	L	35.6	Very low	44.1	Very low	122 Å²	122	125.4 Å²	125.4	64%	0.639	63%	0.626	S	S	*	*			trans	-87.4	116.4	153.1	-140.5	82.6	0	0	0	106.9	A41 D47	A41-L43 PolarHBondContact O-N 2.83Å; L43-D47 HydrophobicContact CG-CB 4.47Å
44	S	50.1	Low	45.3	Very low	53 Å²	53	121.1 Å²	121.1	37%	0.371	62%	0.615	S	S	.	*			trans	-65.1	144.4	-179.4	82	0	0	0	0	109.2	R46 D47 L48	S44-R46 PolarHBondContact O-N 2.89Å; S44-D47 WeakPolarHBondContact CB-OD2 3.44Å; S44-D47 PolarHBondContact N-OD2 3.25Å; S44-D47 PolarHBondContact O-N 3.41Å; S44-D47 PolarHBondContact OG-N 2.92Å; S44-D47 PolarHBondContact OG-OD2 3.31Å; S44-L48 PolarHBondContact O-N 2.99Å
45	T	45.5	Very low	46.6	Very low	124 Å²	124	119.5 Å²	119.5	76%	0.761	61%	0.613	S	S	*	*	H	α-helix	trans	-55.8	-23.6	176.7	47.2	0	0	0	0	112.5	V49	T45-V49 WeakPolarHBondContact O-CG2 3.43Å; T45-V49 PolarHBondContact O-N 3.22Å
46	R	56.6	Low	47.4	Very low	203 Å²	203	118.2 Å²	118.2	77%	0.766	61%	0.608	S	S	*	*	H	α-helix	trans	-68.9	-45.1	177.1	-137.8	178.1	-176.9	174.2	-0.3	111.9	S44 L48 V49 E50	S44-R46 PolarHBondContact O-N 2.89Å; R46-L48 VanDerWaalsContact C-N 3.28Å; R46-L48 PolarHBondContact O-N 3.1Å; R46-V49 PolarHBondContact O-N 3.32Å; R46-E50 WeakPolarHBondContact O-CB 3.4Å; R46-E50 PolarHBondContact O-N 3.4Å
47	D	53.1	Low	48.3	Very low	78 Å²	78	118.5 Å²	118.5	42%	0.417	61%	0.607	S	S	.	*	H	α-helix	trans	-63.2	-38.3	178.2	-54.3	-43.5	0	0	0	111	L43 S44 E50 V51	L43-D47 HydrophobicContact CG-CB 4.47Å; S44-D47 WeakPolarHBondContact CB-OD2 3.44Å; S44-D47 PolarHBondContact N-OD2 3.25Å; S44-D47 PolarHBondContact O-N 3.41Å; S44-D47 PolarHBondContact OG-N 2.92Å; S44-D47 PolarHBondContact OG-OD2 3.31Å; D47-E50 PolarHBondContact O-N 3.41Å; D47-V51 WeakPolarHBondContact O-CG2 3.37Å; D47-V51 PolarHBondContact O-N 3.07Å
48	L	44.1	Very low	48.8	Very low	92 Å²	92	120 Å²	120	48%	0.482	61%	0.608	S	S	.	*	H	α-helix	trans	-67.5	-40.3	-179.7	-143.8	154.2	0	0	0	111.7	S44 R46 E50 I52	S44-L48 PolarHBondContact O-N 2.99Å; R46-L48 VanDerWaalsContact C-N 3.28Å; R46-L48 PolarHBondContact O-N 3.1Å; L48-E50 VanDerWaalsContact C-N 3.34Å; L48-I52 HydrophobicContact CD2-CD1 3.71Å; L48-I52 HydrophobicContact CD2-CG1 4.41Å; L48-I52 VanDerWaalsContact O-CG1 3.28Å; L48-I52 WeakPolarHBondContact O-CG1 3.29Å; L48-I52 PolarHBondContact O-N 3.03Å; L48-I52 VanDerWaalsContact O-N 3.1Å
49	V	61.8	Low	49.2	Very low	83 Å²	83	119.5 Å²	119.5	50%	0.503	61%	0.606	S	S	.	*	H	α-helix	trans	-66.5	-37.3	173.1	171.9	0	0	0	0	111.2	T45 R46 I52 N53	T45-V49 WeakPolarHBondContact O-CG2 3.43Å; T45-V49 PolarHBondContact O-N 3.22Å; R46-V49 PolarHBondContact O-N 3.32Å; V49-I52 PolarHBondContact O-N 3.35Å; V49-N53 WeakPolarHBondContact O-CB 3.32Å; V49-N53 PolarHBondContact O-N 2.95Å; V49-N53 PolarHBondContact O-ND2 3.34Å
50	E	59.8	Low	49.6	Very low	111 Å²	111	119.2 Å²	119.2	52%	0.519	60%	0.603	S	S	.	*	H	α-helix	trans	-67.9	-41.6	179.3	-162.3	134.5	-151.6	0	0	111.9	R46 D47 L48 N53 Q54	R46-E50 WeakPolarHBondContact O-CB 3.4Å; R46-E50 PolarHBondContact O-N 3.4Å; D47-E50 PolarHBondContact O-N 3.41Å; L48-E50 VanDerWaalsContact C-N 3.34Å; E50-N53 PolarHBondContact O-N 3.02Å; E50-Q54 WeakPolarHBondContact O-CB 3.48Å; E50-Q54 VanDerWaalsContact O-CG 3.31Å; E50-Q54 WeakPolarHBondContact O-CG 3.46Å; E50-Q54 PolarHBondContact O-N 3.17Å
51	V	65.2	Low	50.3	Low	90 Å²	90	120.7 Å²	120.7	55%	0.545	61%	0.605	S	S	.	*	H	α-helix	trans	-63.1	-43	173.5	172.2	0	0	0	0	111.5	D47 Q54 K55	D47-V51 WeakPolarHBondContact O-CG2 3.37Å; D47-V51 PolarHBondContact O-N 3.07Å; V51-Q54 PolarHBondContact O-N 2.97Å; V51-K55 WeakPolarHBondContact O-CB 3.4Å; V51-K55 PolarHBondContact O-N 3.32Å
52	I	63.1	Low	50.8	Low	99 Å²	99	121.8 Å²	121.8	51%	0.508	60%	0.596	S	S	.	*	H	α-helix	trans	-63	-44	176.2	-69.3	168.5	0	0	0	110.6	L48 V49 K55 A56	L48-I52 HydrophobicContact CD2-CD1 3.71Å; L48-I52 HydrophobicContact CD2-CG1 4.41Å; L48-I52 VanDerWaalsContact O-CG1 3.28Å; L48-I52 WeakPolarHBondContact O-CG1 3.29Å; L48-I52 PolarHBondContact O-N 3.03Å; L48-I52 VanDerWaalsContact O-N 3.1Å; V49-I52 PolarHBondContact O-N 3.35Å; I52-K55 PolarHBondContact O-N 3.24Å; I52-A56 WeakPolarHBondContact O-CB 3.43Å; I52-A56 PolarHBondContact O-N 3.03Å
53	N	55.4	Low	50.9	Low	94 Å²	94	122.7 Å²	122.7	50%	0.503	59%	0.594	S	S	.	*	H	α-helix	trans	-67.1	-36.8	178.5	-80.9	-22.5	0	0	0	112.4	V49 E50 A56 K57	V49-N53 WeakPolarHBondContact O-CB 3.32Å; V49-N53 PolarHBondContact O-N 2.95Å; V49-N53 PolarHBondContact O-ND2 3.34Å; E50-N53 PolarHBondContact O-N 3.02Å; N53-A56 PolarHBondContact O-N 3.33Å; N53-K57 WeakPolarHBondContact O-CB 3.32Å; N53-K57 WeakPolarHBondContact O-CG 3.28Å; N53-K57 PolarHBondContact O-N 3.2Å
54	Q	55.5	Low	50.8	Low	112 Å²	112	122.4 Å²	122.4	52%	0.523	60%	0.599	S	S	.	*	H	α-helix	trans	-66.1	-43.4	173.4	-75.8	-177.3	1	0	0	111.2	E50 V51 A56 K57 I58	E50-Q54 WeakPolarHBondContact O-CB 3.48Å; E50-Q54 VanDerWaalsContact O-CG 3.31Å; E50-Q54 WeakPolarHBondContact O-CG 3.46Å; E50-Q54 PolarHBondContact O-N 3.17Å; V51-Q54 PolarHBondContact O-N 2.97Å; Q54-A56 VanDerWaalsContact C-N 3.32Å; Q54-A56 PolarHBondContact O-N 3.41Å; Q54-K57 PolarHBondContact O-N 3.01Å; Q54-I58 WeakPolarHBondContact O-CG1 3.35Å; Q54-I58 PolarHBondContact O-N 2.87Å
55	K	59.4	Low	49.7	Very low	163 Å²	163	129.3 Å²	129.3	71%	0.709	63%	0.625	S	S	*	*	H	α-helix	trans	-60.3	-42.1	174.6	-168.1	176.2	-178.3	178.4	0	111.6	V51 I52 I58 H59	V51-K55 WeakPolarHBondContact O-CB 3.4Å; V51-K55 PolarHBondContact O-N 3.32Å; I52-K55 PolarHBondContact O-N 3.24Å; K55-I58 PolarHBondContact O-N 2.8Å; K55-H59 WeakPolarHBondContact O-CB 3.42Å; K55-H59 PolarHBondContact O-N 2.71Å
56	A	57.4	Low	49.1	Very low	53 Å²	53	131.8 Å²	131.8	44%	0.438	63%	0.628	S	S	.	*	H	α-helix	trans	-65.9	-38.1	175.5	0	0	0	0	0	112.9	I52 N53 Q54 H59 R60	I52-A56 WeakPolarHBondContact O-CB 3.43Å; I52-A56 PolarHBondContact O-N 3.03Å; N53-A56 PolarHBondContact O-N 3.33Å; Q54-A56 VanDerWaalsContact C-N 3.32Å; Q54-A56 PolarHBondContact O-N 3.41Å; A56-H59 PolarHBondContact O-N 3.24Å; A56-R60 PolarHBondContact O-N 2.92Å; A56-R60 VanDerWaalsContact O-N 3.12Å
57	K	51.8	Low	47.7	Very low	142 Å²	142	127.6 Å²	127.6	62%	0.617	63%	0.628	S	S	*	*	H	α-helix	trans	-63.4	-46.2	173.6	-83.5	-179.3	177.1	178.7	0	111.7	N53 Q54 H59 R60 Y61	N53-K57 WeakPolarHBondContact O-CB 3.32Å; N53-K57 WeakPolarHBondContact O-CG 3.28Å; N53-K57 PolarHBondContact O-N 3.2Å; Q54-K57 PolarHBondContact O-N 3.01Å; K57-H59 VanDerWaalsContact C-N 3.29Å; K57-H59 PolarHBondContact O-N 3.14Å; K57-R60 WeakPolarHBondContact O-CB 3.45Å; K57-R60 PolarHBondContact O-N 3.16Å; K57-R60 VanDerWaalsContact O-N 3.11Å; K57-Y61 VanDerWaalsContact O-CD2 3.29Å; K57-Y61 WeakPolarHBondContact O-CD2 3.45Å; K57-Y61 PolarHBondContact O-N 3.36Å
58	I	47.3	Very low	46.2	Very low	103 Å²	103	133.3 Å²	133.3	53%	0.528	65%	0.652	S	S	.	*	H	α-helix	trans	-60.4	-42.2	177.1	-66.8	165.2	0	0	0	110.2	Q54 K55 R60 Y61 I62	Q54-I58 WeakPolarHBondContact O-CG1 3.35Å; Q54-I58 PolarHBondContact O-N 2.87Å; K55-I58 PolarHBondContact O-N 2.8Å; I58-R60 PolarHBondContact O-N 2.88Å; I58-Y61 PolarHBondContact O-N 3.29Å; I58-I62 HydrophobicContact CG2-CD1 3.63Å; I58-I62 HydrophobicContact CG2-CG1 4.42Å; I58-I62 WeakPolarHBondContact O-CG1 3.37Å; I58-I62 PolarHBondContact O-N 2.93Å
59	H	41.9	Very low	45.4	Very low	150 Å²	150	138 Å²	138	69%	0.694	67%	0.671	S	S	*	*	H	α-helix	trans	-65.7	-25.1	178	-134.8	46.2	0	0	0	113.7	K55 A56 K57	K55-H59 WeakPolarHBondContact O-CB 3.42Å; K55-H59 PolarHBondContact O-N 2.71Å; A56-H59 PolarHBondContact O-N 3.24Å; K57-H59 VanDerWaalsContact C-N 3.29Å; K57-H59 PolarHBondContact O-N 3.14Å
60	R	42.4	Very low	43.5	Very low	219 Å²	219	139.2 Å²	139.2	83%	0.826	68%	0.683	S	S	*	*	H	α-helix	trans	-75.4	-36.5	172.4	-99.5	-176.6	175.5	178.6	-1.2	113.2	A56 K57 I58	A56-R60 PolarHBondContact O-N 2.92Å; A56-R60 VanDerWaalsContact O-N 3.12Å; K57-R60 WeakPolarHBondContact O-CB 3.45Å; K57-R60 PolarHBondContact O-N 3.16Å; K57-R60 VanDerWaalsContact O-N 3.11Å; I58-R60 PolarHBondContact O-N 2.88Å
61	Y	43.6	Very low	41.7	Very low	204 Å²	204	141.1 Å²	141.1	80%	0.8	70%	0.696	S	S	*	*	H	α-helix	trans	-76.5	-23.8	-179.9	-79.9	-72.2	0	0	0	113.8	K57 I58 K63	K57-Y61 VanDerWaalsContact O-CD2 3.29Å; K57-Y61 WeakPolarHBondContact O-CD2 3.45Å; K57-Y61 PolarHBondContact O-N 3.36Å; I58-Y61 PolarHBondContact O-N 3.29Å; Y61-K63 VanDerWaalsContact C-N 3.3Å; Y61-K63 PolarHBondContact O-N 3.27Å
62	I	45.7	Very low	39.8	Very low	118 Å²	118	147 Å²	147	61%	0.605	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	-14.4	-178.2	-69	168.3	0	0	0	112.7	I58 P64	I58-I62 HydrophobicContact CG2-CD1 3.63Å; I58-I62 HydrophobicContact CG2-CG1 4.42Å; I58-I62 WeakPolarHBondContact O-CG1 3.37Å; I58-I62 PolarHBondContact O-N 2.93Å; I62-P64 WeakPolarHBondContact O-CD 3.45Å
63	K	34.2	Very low	37.8	Very low	164 Å²	164	148 Å²	148	71%	0.713	72%	0.721	S	S	*	*	S	Bend	trans	-88.5	117	174.4	-89.3	-169.6	170	-166.6	0	111	Y61 Q65	Y61-K63 VanDerWaalsContact C-N 3.3Å; Y61-K63 PolarHBondContact O-N 3.27Å; K63-Q65 PolarHBondContact O-N 2.82Å
64	P	32.7	Very low	36.3	Very low	115 Å²	115	150 Å²	150	75%	0.747	73%	0.731	S	S	*	*			trans	-58.7	131.8	167.4	-15.5	29.2	0	0	0	109.3	I62 E66	I62-P64 WeakPolarHBondContact O-CD 3.45Å; P64-E66 PolarHBondContact O-N 2.77Å; P64-E66 VanDerWaalsContact O-N 3.1Å
65	Q	27.4	Very low	34.8	Very low	198 Å²	198	149 Å²	149	93%	0.925	74%	0.736	S	S	*	*			trans	-69.1	99.6	170.5	-72.6	-179.8	-43.5	0	0	108.2	K63	K63-Q65 PolarHBondContact O-N 2.82Å
66	E	32.1	Very low	33.1	Very low	176 Å²	176	149.4 Å²	149.4	82%	0.822	75%	0.746	S	S	*	*			trans	-73.9	141.4	162.8	-74.2	178.2	171.4	0	0	109.2	P64	P64-E66 PolarHBondContact O-N 2.77Å; P64-E66 VanDerWaalsContact O-N 3.1Å
67	P	26.9	Very low	31.4	Very low	116 Å²	116	155.3 Å²	155.3	75%	0.753	76%	0.764	S	S	*	*			trans	-75.2	145.9	-161.2	26.9	-28.3	0	0	0	113	E69	P67-E69 PolarHBondContact O-N 3.15Å
68	E	23.5	Very low	30	Very low	198 Å²	198	159 Å²	159	93%	0.925	77%	0.774	S	S	*	*			trans	-66.1	94.6	178.6	-63.3	180	164.5	0	0	110.7	S70	E68-S70 PolarHBondContact O-N 3.41Å
69	E	26	Very low	28.8	Very low	190 Å²	190	158.8 Å²	158.8	89%	0.888	78%	0.781	S	S	*	*			trans	-75	122.2	167.9	-78.9	-174.7	169.6	0	0	110.6	P67	P67-E69 PolarHBondContact O-N 3.15Å
70	S	22.6	Very low	27.9	Very low	108 Å²	108	158 Å²	158	76%	0.755	78%	0.782	S	S	*	*			trans	-63.8	133.8	-174.3	49.1	0	0	0	0	114	E68 Y72	E68-S70 PolarHBondContact O-N 3.41Å; S70-Y72 PolarHBondContact O-N 3.01Å
71	L	20.9	Very low	27	Very low	152 Å²	152	150.8 Å²	150.8	80%	0.796	77%	0.765	S	S	*	*			trans	-17.7	112.9	153.8	-75	150.1	0	0	0	115.5	V73	L71-V73 HydrophobicContact CD2-CG2 3.96Å
72	Y	25.7	Very low	26.2	Very low	212 Å²	212	149.5 Å²	149.5	83%	0.831	77%	0.766	S	S	*	*			trans	-128.8	99.9	141.4	-104.7	-87.5	0	0	0	108.7	S70 N74	S70-Y72 PolarHBondContact O-N 3.01Å; Y72-N74 PolarHBondContact O-N 3.44Å
73	V	20.7	Very low	25.2	Very low	121 Å²	121	151 Å²	151	73%	0.733	77%	0.771	S	S	*	*			trans	-84.9	100.1	169	175.9	0	0	0	0	106.5	L71	L71-V73 HydrophobicContact CD2-CG2 3.96Å
74	N	24.4	Very low	24.8	Very low	135 Å²	135	150.2 Å²	150.2	72%	0.722	77%	0.77	S	S	*	*			trans	-102.1	104.8	160.2	-85.7	-19.1	0	0	0	108.4	Y72	Y72-N74 PolarHBondContact O-N 3.44Å
75	S	25.1	Very low	24.6	Very low	91 Å²	91	149 Å²	149	64%	0.636	76%	0.757	S	S	*	*				49.6	87.7	129.4	-42.4	0	0	0	0	117.7	E77	S75-E77 PolarHBondContact O-N 3.34Å
76	L	22.4	Very low	24.3	Very low	172 Å²	172	146.1 Å²	146.1	90%	0.901	75%	0.747	S	S	*	*				39.6	57.9	127	-152	79.4	0	0	0	116.7	R78	L76-R78 PolarHBondContact O-N 3.15Å
77	E	22.7	Very low	24	Very low	177 Å²	177	143.3 Å²	143.3	83%	0.827	74%	0.742	S	S	*	*			trans	-76.1	111.8	157.4	-77.6	-175.6	169.9	0	0	108	S75 C79	S75-E77 PolarHBondContact O-N 3.34Å; E77-C79 PolarHBondContact O-N 2.96Å
78	R	21.1	Very low	23.8	Very low	219 Å²	219	142.8 Å²	142.8	83%	0.826	73%	0.732	S	S	*	*			trans	-56.4	101.2	163.7	-76.3	174.8	171.3	164.4	-4.4	107.6	L76 D80	L76-R78 PolarHBondContact O-N 3.15Å; R78-D80 PolarHBondContact O-N 3.4Å
79	C	23.6	Very low	23.9	Very low	99 Å²	99	135.7 Å²	135.7	67%	0.669	70%	0.704	S	S	*	*			trans	-70.4	65.9	164.1	-63.5	0	0	0	0	109.7	E77	E77-C79 PolarHBondContact O-N 2.96Å
80	D	22.7	Very low	23.7	Very low	135 Å²	135	135.1 Å²	135.1	72%	0.722	70%	0.701	S	S	*	*			trans	-114.4	68.6	162.4	-76.6	-37.6	0	0	0	106.8	R78	R78-D80 PolarHBondContact O-N 3.4Å
81	S	23.8	Very low	23.8	Very low	67 Å²	67	137 Å²	137	47%	0.469	70%	0.703	S	S	.	*			trans	-136.2	127.2	161	57.4	0	0	0	0	108.3	E83	S81-E83 PolarHBondContact O-N 3.13Å
82	E	26.1	Very low	24	Very low	177 Å²	177	133.9 Å²	133.9	83%	0.827	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-61.2	5.3	172.4	-64.6	-176.3	143.3	0	0	112.9	L85	E82-L85 WeakPolarHBondContact O-CB 3.28Å; E82-L85 PolarHBondContact O-N 3.3Å
83	E	25.3	Very low	23.9	Very low	150 Å²	150	131.2 Å²	131.2	70%	0.701	68%	0.682	S	S	*	*	G	3₁₀ helix	trans	-80	-18.4	-175.1	-64.2	-176.5	162.2	0	0	113.4	S81 L85 N86	S81-E83 PolarHBondContact O-N 3.13Å; E83-L85 PolarHBondContact O-N 3.42Å; E83-N86 PolarHBondContact O-N 2.89Å; E83-N86 VanDerWaalsContact O-N 3.17Å
84	E	25.5	Very low	24.4	Very low	147 Å²	147	131.4 Å²	131.4	69%	0.687	67%	0.673	S	S	*	*	G	3₁₀ helix	trans	-72.8	-4.5	170.7	-74.7	-166.1	161.2	0	0	113.6	N86 V87	E84-N86 PolarHBondContact O-N 2.84Å; E84-V87 PolarHBondContact O-N 3.42Å
85	L	27.6	Very low	24.5	Very low	90 Å²	90	130.9 Å²	130.9	47%	0.471	67%	0.671	S	S	.	*	G	3₁₀ helix	trans	-66.8	-15	166.4	-79.8	159.8	0	0	0	112.8	E82 E83	E82-L85 WeakPolarHBondContact O-CB 3.28Å; E82-L85 PolarHBondContact O-N 3.3Å; E83-L85 PolarHBondContact O-N 3.42Å
86	N	22.6	Very low	24.6	Very low	136 Å²	136	129.1 Å²	129.1	73%	0.727	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-86.3	-7.8	178.2	-73.8	-16.8	0	0	0	114.2	E83 E84 I88	E83-N86 PolarHBondContact O-N 2.89Å; E83-N86 VanDerWaalsContact O-N 3.17Å; E84-N86 PolarHBondContact O-N 2.84Å; N86-I88 PolarHBondContact O-N 3Å; N86-I88 VanDerWaalsContact O-N 3.12Å
87	V	24.6	Very low	24.7	Very low	118 Å²	118	122 Å²	122	72%	0.715	62%	0.62	S	S	*	*			trans	-91.8	59.5	173.1	-164.1	0	0	0	0	109.3	E84 S89	E84-V87 PolarHBondContact O-N 3.42Å; V87-S89 PolarHBondContact O-N 3.42Å
88	I	23.6	Very low	24.9	Very low	105 Å²	105	115.1 Å²	115.1	54%	0.538	59%	0.593	S	S	.	*			trans	-56.7	103	142.7	-60.8	167.9	0	0	0	103	N86 E90	N86-I88 PolarHBondContact O-N 3Å; N86-I88 VanDerWaalsContact O-N 3.12Å; I88-E90 PolarHBondContact O-N 3.37Å
89	S	24.7	Very low	25.1	Very low	49 Å²	49	107.4 Å²	107.4	34%	0.343	57%	0.568	S	S	.	*			trans	-41.8	121.9	171.4	170.9	0	0	0	0	106.9	V87 N91 D92	V87-S89 PolarHBondContact O-N 3.42Å; S89-N91 PolarHBondContact O-N 3.12Å; S89-D92 PolarHBondContact O-N 2.93Å
90	E	22.4	Very low	25.2	Very low	177 Å²	177	106.3 Å²	106.3	83%	0.827	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.9	-15.4	178.9	-69.9	177.8	149.7	0	0	111.9	I88 Q93	I88-E90 PolarHBondContact O-N 3.37Å; E90-Q93 WeakPolarHBondContact O-CB 3.45Å
91	N	23.7	Very low	25.4	Very low	148 Å²	148	103.8 Å²	103.8	79%	0.791	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	-11.6	174.5	-60.1	-18.3	0	0	0	115.4	S89 Q93	S89-N91 PolarHBondContact O-N 3.12Å; N91-Q93 PolarHBondContact O-N 2.84Å
92	D	25.2	Very low	25.8	Very low	86 Å²	86	103.6 Å²	103.6	46%	0.46	55%	0.547	S	S	.	.	S	Bend	trans	-86.8	18.9	169.4	-79.4	-1.9	0	0	0	110.6	S89 F94 R204	S89-D92 PolarHBondContact O-N 2.93Å; D92-F94 PolarHBondContact O-N 3.41Å; D92-R204 IonicContact OD1-NH2 3.79Å; D92-R204 PolarHBondContact OD1-NH2 3.01Å; D92-R204 IonicContact OD2-CZ 3.45Å; D92-R204 IonicContact OD2-NE 2.74Å; D92-R204 IonicContact OD2-NH2 3.73Å; D92-R204 PolarHBondContact OD2-NH2 2.92Å
93	Q	24.5	Very low	25.6	Very low	156 Å²	156	102 Å²	102	73%	0.729	54%	0.544	S	S	*	.			trans	-52.8	95.5	177.5	-159.8	172.3	38.2	0	0	110.6	E90 N91 D95	E90-Q93 WeakPolarHBondContact O-CB 3.45Å; N91-Q93 PolarHBondContact O-N 2.84Å; Q93-D95 PolarHBondContact O-N 3.29Å
94	F	31.7	Very low	25.5	Very low	126 Å²	126	101.4 Å²	101.4	55%	0.553	55%	0.545	S	S	*	.			trans	38.3	52.1	154.3	-60.8	-81.7	0	0	0	116.2	D92 F96 F362	D92-F94 PolarHBondContact O-N 3.41Å; F94-F96 VanDerWaalsContact C-N 3.26Å; F94-F96 HydrophobicContact CB-CD2 4.21Å; F94-F96 HydrophobicContact CB-CE2 4.24Å; F94-F96 HydrophobicContact CD1-CD2 4.48Å; F94-F96 AromaticContact CD1-CE2 3.79Å; F94-F96 HydrophobicContact CD1-CE2 3.79Å; F94-F96 HydrophobicContact CD1-CZ 4.33Å; F94-F96 HydrophobicContact CG-CE2 4.43Å; F94-F96 PolarHBondContact O-N 3.4Å; F94-F362 HydrophobicContact CD1-CD2 4.4Å; F94-F362 HydrophobicContact CD1-CE2 4.45Å; F94-F362 AromaticContact CE1-CD2 3.81Å; F94-F362 HydrophobicContact CE1-CD2 3.81Å; F94-F362 HydrophobicContact CE1-CE2 4.11Å
95	D	26.4	Very low	25.3	Very low	124 Å²	124	101.7 Å²	101.7	66%	0.663	55%	0.551	S	S	*	*			trans	-74.7	92.8	155.6	-169.5	6.5	0	0	0	106.6	Q93 G97 A98	Q93-D95 PolarHBondContact O-N 3.29Å; D95-G97 PolarHBondContact O-N 2.76Å; D95-A98 PolarHBondContact OD1-N 2.86Å
96	F	26.5	Very low	25.2	Very low	54 Å²	54	102.9 Å²	102.9	24%	0.237	56%	0.564	C	S	.	*			trans	-65.6	44.2	172.3	-91.2	-83.1	0	0	0	111	F94 A98 L318 F362 T365	F94-F96 VanDerWaalsContact C-N 3.26Å; F94-F96 HydrophobicContact CB-CD2 4.21Å; F94-F96 HydrophobicContact CB-CE2 4.24Å; F94-F96 HydrophobicContact CD1-CD2 4.48Å; F94-F96 AromaticContact CD1-CE2 3.79Å; F94-F96 HydrophobicContact CD1-CE2 3.79Å; F94-F96 HydrophobicContact CD1-CZ 4.33Å; F94-F96 HydrophobicContact CG-CE2 4.43Å; F94-F96 PolarHBondContact O-N 3.4Å; F96-A98 VanDerWaalsContact O-CA 3.22Å; F96-A98 WeakPolarHBondContact O-CA 3.5Å; F96-A98 PolarHBondContact O-N 2.85Å; F96-L318 HydrophobicContact CD1-CD1 4.05Å; F96-L318 HydrophobicContact CE1-CD1 3.87Å; F96-F362 HydrophobicContact CE1-CD2 4.43Å; F96-F362 AromaticContact CE1-CE2 3.81Å; F96-F362 HydrophobicContact CE1-CE2 3.81Å; F96-F362 HydrophobicContact CE1-CZ 4.26Å; F96-F362 HydrophobicContact CE2-CE2 4.46Å; F96-F362 AromaticContact CZ-CD2 3.71Å; F96-F362 HydrophobicContact CZ-CD2 3.71Å; F96-F362 AromaticContact CZ-CE2 3.46Å; F96-F362 HydrophobicContact CZ-CE2 3.46Å; F96-F362 VanDerWaalsContact CZ-CE2 3.46Å; F96-F362 HydrophobicContact CZ-CZ 4.31Å; F96-T365 HydrophobicContact CE1-CG2 3.98Å; F96-T365 HydrophobicContact CE2-CG2 3.85Å; F96-T365 HydrophobicContact CZ-CG2 3.54Å
97	G	25	Very low	25.1	Very low	23 Å²	23	104 Å²	104	24%	0.237	57%	0.565	C	S	.	*			trans	33.8	44.9	-175.4	0	0	0	0	0	110.9	D95 L99	D95-G97 PolarHBondContact O-N 2.76Å; G97-L99 PolarHBondContact O-N 2.95Å
98	A	27	Very low	25.1	Very low	32 Å²	32	104 Å²	104	26%	0.264	57%	0.568	S	S	.	*			trans	-58.4	137.4	-156.9	0	0	0	0	0	105.9	D95 F96 N100	D95-A98 PolarHBondContact OD1-N 2.86Å; F96-A98 VanDerWaalsContact O-CA 3.22Å; F96-A98 WeakPolarHBondContact O-CA 3.5Å; F96-A98 PolarHBondContact O-N 2.85Å; A98-N100 HydrophobicContact CB-CB 4.02Å; A98-N100 CarbonylContact O-C 3.6Å; A98-N100 VanDerWaalsContact O-C 3.31Å; A98-N100 WeakPolarHBondContact O-CA 3.32Å; A98-N100 PolarHBondContact O-N 3.5Å; A98-N100 VanDerWaalsContact O-O 3.1Å
99	L	25.7	Very low	25.2	Very low	57 Å²	57	108.3 Å²	108.3	30%	0.298	58%	0.579	S	S	.	*	S	Bend	trans	-52.8	5	168.1	-77	157.9	0	0	0	113.8	G97 A101 R249 E372	G97-L99 PolarHBondContact O-N 2.95Å; L99-A101 PolarHBondContact O-N 2.61Å; L99-R249 PolarHBondContact O-NH1 2.92Å; L99-R249 VanDerWaalsContact O-NH1 3.14Å; L99-E372 HydrophobicContact CD1-CG 4.11Å; L99-E372 WeakPolarHBondContact CD1-OE1 3.38Å; L99-E372 WeakPolarHBondContact CD1-OE2 3.38Å
100	N	24.9	Very low	25.2	Very low	76 Å²	76	112.6 Å²	112.6	41%	0.406	59%	0.593	S	S	.	*			trans	-68.1	92.3	155.8	-58	-3.4	0	0	0	108.4	A98 D102 R434	A98-N100 HydrophobicContact CB-CB 4.02Å; A98-N100 CarbonylContact O-C 3.6Å; A98-N100 VanDerWaalsContact O-C 3.31Å; A98-N100 WeakPolarHBondContact O-CA 3.32Å; A98-N100 PolarHBondContact O-N 3.5Å; A98-N100 VanDerWaalsContact O-O 3.1Å; N100-D102 HydrophobicContact CB-CB 4.24Å; N100-D102 PolarHBondContact O-N 3.25Å; N100-R434 PolarHBondContact OD1-NH1 3.15Å
101	A	26.1	Very low	25.4	Very low	82 Å²	82	111.5 Å²	111.5	68%	0.678	59%	0.588	S	S	*	*			trans	-69.5	33.8	168.5	0	0	0	0	0	111.8	L99	L99-A101 PolarHBondContact O-N 2.61Å
102	D	31.7	Very low	25.6	Very low	63 Å²	63	107.6 Å²	107.6	34%	0.337	57%	0.572	S	S	.	*			trans	-108.7	-11.6	-151.2	-64.9	-16.8	0	0	0	114.4	N100 I669	N100-D102 HydrophobicContact CB-CB 4.24Å; N100-D102 PolarHBondContact O-N 3.25Å; D102-I669 HydrophobicContact CB-CD1 3.99Å
103	N	23	Very low	25.9	Very low	144 Å²	144	108.9 Å²	108.9	77%	0.77	58%	0.578	S	S	*	*	S	Bend	trans	-149.6	40.4	-177.8	-80.9	-30	0	0	0	115.8
104	L	22.3	Very low	26.3	Very low	137 Å²	137	105.9 Å²	105.9	72%	0.717	57%	0.57	S	S	*	*	S	Bend	trans	-124.4	122.2	162.3	-79.9	168.9	0	0	0	109.5
105	D	22.9	Very low	26.3	Very low	153 Å²	153	103.8 Å²	103.8	82%	0.818	57%	0.568	S	S	*	*			trans	-46.5	120.8	175.7	-84.3	-42.5	0	0	0	110.4	Q107	D105-Q107 PolarHBondContact O-N 2.83Å
106	P	23.8	Very low	26.4	Very low	114 Å²	114	107 Å²	107	74%	0.74	57%	0.571	S	S	*	*			trans	-75.2	79.6	177.7	29.7	-32.1	0	0	0	109	P108	P106-P108 WeakPolarHBondContact O-CD 3.46Å
107	Q	22	Very low	26.9	Very low	161 Å²	161	107.6 Å²	107.6	75%	0.752	58%	0.581	S	S	*	*			trans	-78.6	116.2	156.6	-78.3	-172.4	-9.8	0	0	108	D105 Y109	D105-Q107 PolarHBondContact O-N 2.83Å; Q107-Y109 PolarHBondContact O-N 2.89Å
108	P	24	Very low	27.2	Very low	118 Å²	118	113.2 Å²	113.2	77%	0.766	60%	0.603	S	S	*	*			trans	-66.8	103.8	176.1	26.9	-31.3	0	0	0	108.1	P106 H110	P106-P108 WeakPolarHBondContact O-CD 3.46Å; P108-H110 PolarHBondContact O-N 3.27Å
109	Y	25.7	Very low	27.5	Very low	194 Å²	194	121.6 Å²	121.6	76%	0.761	63%	0.629	S	S	*	*			trans	-59.4	109.9	165.9	-95.8	-92.3	0	0	0	107.6	Q107 E111	Q107-Y109 PolarHBondContact O-N 2.89Å; Y109-E111 PolarHBondContact O-N 3.48Å; Y109-E111 VanDerWaalsContact O-N 3.12Å
110	H	23.8	Very low	27.9	Very low	140 Å²	140	125.1 Å²	125.1	65%	0.648	65%	0.649	S	S	*	*			trans	-37.9	111.7	-176.4	-112.9	-98.9	0	0	0	112.8	P108 S112 L113	P108-H110 PolarHBondContact O-N 3.27Å; H110-S112 PolarHBondContact ND1-OG 3.2Å; H110-S112 PolarHBondContact O-N 3.41Å; H110-L113 PolarHBondContact O-N 3.45Å; H110-L113 VanDerWaalsContact O-N 3.11Å
111	E	26.4	Very low	28.4	Very low	154 Å²	154	126.9 Å²	126.9	72%	0.72	66%	0.657	S	S	*	*	H	α-helix	trans	-49.1	-29.3	173.9	-145.1	170.4	-163.1	0	0	111.9	Y109 L113 V114 T115	Y109-E111 PolarHBondContact O-N 3.48Å; Y109-E111 VanDerWaalsContact O-N 3.12Å; E111-L113 VanDerWaalsContact C-N 3.28Å; E111-L113 PolarHBondContact O-N 3.19Å; E111-V114 PolarHBondContact O-N 3.49Å; E111-V114 VanDerWaalsContact O-N 3.16Å; E111-T115 PolarHBondContact O-N 3.45Å; E111-T115 VanDerWaalsContact O-N 3.16Å; E111-T115 PolarHBondContact O-OG1 2.78Å
112	S	29.4	Very low	28.7	Very low	65 Å²	65	132.4 Å²	132.4	46%	0.455	67%	0.669	S	S	.	*	H	α-helix	trans	-64.5	-18.8	-179.4	62.1	0	0	0	0	115.9	H110	H110-S112 PolarHBondContact ND1-OG 3.2Å; H110-S112 PolarHBondContact O-N 3.41Å
113	L	29.9	Very low	28.7	Very low	114 Å²	114	138.1 Å²	138.1	60%	0.597	69%	0.69	S	S	*	*	H	α-helix	trans	-83.7	-29.3	175.3	-70.7	176.1	0	0	0	112.1	H110 E111	H110-L113 PolarHBondContact O-N 3.45Å; H110-L113 VanDerWaalsContact O-N 3.11Å; E111-L113 VanDerWaalsContact C-N 3.28Å; E111-L113 PolarHBondContact O-N 3.19Å
114	V	33.7	Very low	29.1	Very low	92 Å²	92	140.6 Å²	140.6	56%	0.558	70%	0.695	S	S	*	*	H	α-helix	trans	-85.2	-36.2	-178.8	-176.5	0	0	0	0	111.2	E111 R116 S117 M118	E111-V114 PolarHBondContact O-N 3.49Å; E111-V114 VanDerWaalsContact O-N 3.16Å; V114-R116 PolarHBondContact O-N 3.45Å; V114-S117 PolarHBondContact O-N 2.91Å; V114-S117 PolarHBondContact O-OG 3.44Å; V114-M118 PolarHBondContact O-N 3.1Å
115	T	31.4	Very low	29.7	Very low	82 Å²	82	136.5 Å²	136.5	50%	0.503	68%	0.677	S	S	.	*	H	α-helix	trans	-62.5	-27.2	173.5	-16.8	0	0	0	0	112	E111 S117 M118 Y119	E111-T115 PolarHBondContact O-N 3.45Å; E111-T115 VanDerWaalsContact O-N 3.16Å; E111-T115 PolarHBondContact O-OG1 2.78Å; T115-S117 VanDerWaalsContact C-N 3.34Å; T115-M118 PolarHBondContact O-N 3.13Å; T115-Y119 PolarHBondContact O-N 3.49Å
116	R	29	Very low	30.5	Very low	193 Å²	193	133.6 Å²	133.6	73%	0.728	67%	0.665	S	S	*	*	H	α-helix	trans	-71	-24.8	176.1	-111.4	180	-179.3	172.2	2	113.7	V114	V114-R116 PolarHBondContact O-N 3.45Å
117	S	37.9	Very low	31.2	Very low	65 Å²	65	132.9 Å²	132.9	46%	0.455	65%	0.654	S	S	.	*	H	α-helix	trans	-78.4	-35.8	174.4	66.6	0	0	0	0	111.2	V114 T115 I121	V114-S117 PolarHBondContact O-N 2.91Å; V114-S117 PolarHBondContact O-OG 3.44Å; T115-S117 VanDerWaalsContact C-N 3.34Å; S117-I121 WeakPolarHBondContact O-CD1 3.07Å; S117-I121 VanDerWaalsContact O-CG1 3.27Å; S117-I121 WeakPolarHBondContact O-CG1 3.42Å
118	M	31.4	Very low	32	Very low	141 Å²	141	131.4 Å²	131.4	70%	0.695	65%	0.651	S	S	*	*	H	α-helix	trans	-72.1	-39.2	-176.4	-66.5	-172.5	74.8	0	0	114	V114 T115 N120 I121	V114-M118 PolarHBondContact O-N 3.1Å; T115-M118 PolarHBondContact O-N 3.13Å; M118-N120 VanDerWaalsContact C-N 3.27Å; M118-N120 PolarHBondContact O-N 3.05Å; M118-I121 PolarHBondContact O-N 3.32Å
119	Y	32.2	Very low	32.6	Very low	208 Å²	208	133.3 Å²	133.3	82%	0.816	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-9.8	-173.2	-126	-82.1	0	0	0	114.9	T115	T115-Y119 PolarHBondContact O-N 3.49Å
120	N	33.4	Very low	33.6	Very low	131 Å²	131	129 Å²	129	70%	0.701	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	7.3	178.4	-77.1	-28.6	0	0	0	113.8	M118	M118-N120 VanDerWaalsContact C-N 3.27Å; M118-N120 PolarHBondContact O-N 3.05Å
121	I	36.2	Very low	34.7	Very low	113 Å²	113	126.7 Å²	126.7	58%	0.579	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	-1.8	-172.7	-66.5	170.4	0	0	0	113.9	S117 M118 K123	S117-I121 WeakPolarHBondContact O-CD1 3.07Å; S117-I121 VanDerWaalsContact O-CG1 3.27Å; S117-I121 WeakPolarHBondContact O-CG1 3.42Å; M118-I121 PolarHBondContact O-N 3.32Å; I121-K123 PolarHBondContact O-N 3.5Å
122	E	31.4	Very low	35.2	Very low	199 Å²	199	122.1 Å²	122.1	93%	0.93	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	0.8	170.1	-76.4	-170.8	168.5	0	0	114.3	K124	E122-K124 PolarHBondContact O-N 2.89Å
123	K	32.8	Very low	35.5	Very low	182 Å²	182	126.7 Å²	126.7	79%	0.791	64%	0.636	S	S	*	*	S	Bend	trans	-86.4	106.7	163.1	-76.3	-176.5	177.7	179.8	0	108.6	I121 S125	I121-K123 PolarHBondContact O-N 3.5Å; K123-S125 PolarHBondContact O-N 3.46Å
124	K	30.7	Very low	35.7	Very low	197 Å²	197	127.3 Å²	127.3	86%	0.857	64%	0.639	S	S	*	*			trans	18.1	96.3	160.4	-102.9	-177.5	170.5	-172.6	0	112.3	E122 V126	E122-K124 PolarHBondContact O-N 2.89Å; K124-V126 PolarHBondContact O-N 3.38Å
125	S	35.6	Very low	35.6	Very low	51 Å²	51	131.3 Å²	131.3	36%	0.357	65%	0.652	S	S	.	*			trans	-35.5	109.9	173.3	177.4	0	0	0	0	110.4	K123 I127 D128	K123-S125 PolarHBondContact O-N 3.46Å; S125-I127 PolarHBondContact O-N 2.97Å; S125-I127 WeakPolarHBondContact OG-CB 3.42Å; S125-I127 WeakPolarHBondContact OG-CG1 3.38Å; S125-I127 PolarHBondContact OG-N 3.5Å; S125-D128 PolarHBondContact O-N 2.86Å
126	V	40.5	Very low	35.8	Very low	92 Å²	92	132.8 Å²	132.8	56%	0.558	66%	0.663	S	S	*	*	H	α-helix	trans	-55.4	-17.9	175.4	179.4	0	0	0	0	110.2	K124 D128 E129 L130	K124-V126 PolarHBondContact O-N 3.38Å; V126-D128 VanDerWaalsContact C-N 3.31Å; V126-D128 PolarHBondContact O-N 3.3Å; V126-E129 CarbonylContact O-C 3.54Å; V126-E129 PolarHBondContact O-N 3.3Å; V126-L130 HydrophobicContact CB-CD1 4.47Å; V126-L130 HydrophobicContact CG1-CD1 3.8Å; V126-L130 HydrophobicContact CG1-CG 3.95Å; V126-L130 WeakPolarHBondContact O-CB 3.2Å; V126-L130 WeakPolarHBondContact O-CD1 3.42Å; V126-L130 WeakPolarHBondContact O-CG 3.23Å; V126-L130 PolarHBondContact O-N 3.41Å
127	I	38.7	Very low	35.9	Very low	99 Å²	99	132.6 Å²	132.6	51%	0.508	67%	0.671	S	S	.	*	H	α-helix	trans	-60.1	-36.1	173.6	-51.3	173.5	0	0	0	111.9	S125 E129 L130 L131	S125-I127 PolarHBondContact O-N 2.97Å; S125-I127 WeakPolarHBondContact OG-CB 3.42Å; S125-I127 WeakPolarHBondContact OG-CG1 3.38Å; S125-I127 PolarHBondContact OG-N 3.5Å; I127-E129 VanDerWaalsContact C-N 3.31Å; I127-E129 PolarHBondContact O-N 2.97Å; I127-L130 PolarHBondContact O-N 3.48Å; I127-L131 HydrophobicContact CG2-CD1 3.45Å; I127-L131 VanDerWaalsContact CG2-CD1 3.45Å; I127-L131 HydrophobicContact CG2-CG 4.07Å; I127-L131 WeakPolarHBondContact O-CB 3.2Å; I127-L131 WeakPolarHBondContact O-CD1 3.12Å; I127-L131 WeakPolarHBondContact O-CG 3.43Å; I127-L131 PolarHBondContact O-N 3Å
128	D	37.7	Very low	35.5	Very low	129 Å²	129	138.5 Å²	138.5	69%	0.69	69%	0.691	S	S	*	*	H	α-helix	trans	-73	-26.5	178.5	-71.9	-14	0	0	0	112	S125 V126	S125-D128 PolarHBondContact O-N 2.86Å; V126-D128 VanDerWaalsContact C-N 3.31Å; V126-D128 PolarHBondContact O-N 3.3Å
129	E	35.7	Very low	35.4	Very low	159 Å²	159	137.1 Å²	137.1	74%	0.743	69%	0.686	S	S	*	*	H	α-helix	trans	-84.9	-21.7	173.4	-168.2	171.8	-170.4	0	0	112.2	V126 I127	V126-E129 CarbonylContact O-C 3.54Å; V126-E129 PolarHBondContact O-N 3.3Å; I127-E129 VanDerWaalsContact C-N 3.31Å; I127-E129 PolarHBondContact O-N 2.97Å
130	L	48	Very low	35.9	Very low	102 Å²	102	132.3 Å²	132.3	53%	0.534	68%	0.681	S	S	.	*	S	Bend	trans	-83.6	-11.1	176.6	-74.5	166.1	0	0	0	113.8	V126 I127	V126-L130 HydrophobicContact CB-CD1 4.47Å; V126-L130 HydrophobicContact CG1-CD1 3.8Å; V126-L130 HydrophobicContact CG1-CG 3.95Å; V126-L130 WeakPolarHBondContact O-CB 3.2Å; V126-L130 WeakPolarHBondContact O-CD1 3.42Å; V126-L130 WeakPolarHBondContact O-CG 3.23Å; V126-L130 PolarHBondContact O-N 3.41Å; I127-L130 PolarHBondContact O-N 3.48Å
131	L	46.1	Very low	35.9	Very low	93 Å²	93	129.8 Å²	129.8	49%	0.487	68%	0.678	S	S	.	*	S	Bend	trans	-118.7	2.2	-169.9	-67.5	179	0	0	0	114.2	I127	I127-L131 HydrophobicContact CG2-CD1 3.45Å; I127-L131 VanDerWaalsContact CG2-CD1 3.45Å; I127-L131 HydrophobicContact CG2-CG 4.07Å; I127-L131 WeakPolarHBondContact O-CB 3.2Å; I127-L131 WeakPolarHBondContact O-CD1 3.12Å; I127-L131 WeakPolarHBondContact O-CG 3.43Å; I127-L131 PolarHBondContact O-N 3Å
132	S	37.3	Very low	35.8	Very low	57 Å²	57	131 Å²	131	40%	0.399	69%	0.685	S	S	.	*	S	Bend	trans	-66.9	136.2	159.4	54.9	0	0	0	0	108.4	D134	S132-D134 WeakPolarHBondContact CB-OD2 2.96Å; S132-D134 PolarHBondContact O-N 3.39Å; S132-D134 PolarHBondContact OG-OD2 3.39Å
133	N	36.6	Very low	36.1	Very low	162 Å²	162	126.2 Å²	126.2	87%	0.866	67%	0.673	S	S	*	*			trans	-69.2	34.4	179.3	-74.4	-32.3	0	0	0	112.8	E135	N133-E135 VanDerWaalsContact C-N 3.29Å; N133-E135 PolarHBondContact O-N 2.82Å
134	D	32.7	Very low	36.6	Very low	126 Å²	126	124 Å²	124	67%	0.674	67%	0.669	S	S	*	*			trans	-76.8	90.8	176.3	-57.7	-38.1	0	0	0	106.5	S132 P136	S132-D134 WeakPolarHBondContact CB-OD2 2.96Å; S132-D134 PolarHBondContact O-N 3.39Å; S132-D134 PolarHBondContact OG-OD2 3.39Å; D134-P136 WeakPolarHBondContact O-CD 3.32Å; D134-P136 VanDerWaalsContact O-N 3.14Å
135	E	32.9	Very low	37.1	Very low	176 Å²	176	126.1 Å²	126.1	82%	0.822	67%	0.672	S	S	*	*			trans	-50.7	118.7	155.9	-65	-148.8	150	0	0	106.1	N133 E137	N133-E135 VanDerWaalsContact C-N 3.29Å; N133-E135 PolarHBondContact O-N 2.82Å; E135-E137 PolarHBondContact O-N 3.17Å
136	P	34.8	Very low	38	Very low	114 Å²	114	125.9 Å²	125.9	74%	0.74	67%	0.666	S	S	*	*			trans	-61.8	113.7	173.5	25.2	-30.1	0	0	0	105.9	D134 E138	D134-P136 WeakPolarHBondContact O-CD 3.32Å; D134-P136 VanDerWaalsContact O-N 3.14Å; P136-E138 PolarHBondContact O-N 3.28Å
137	E	31.6	Very low	38.4	Very low	189 Å²	189	123.5 Å²	123.5	88%	0.883	65%	0.653	S	S	*	*			trans	-47.5	114.2	164.2	-71	-176.6	163.6	0	0	106.4	E135 D139	E135-E137 PolarHBondContact O-N 3.17Å; E137-D139 VanDerWaalsContact C-N 3.34Å; E137-D139 PolarHBondContact O-N 3.31Å
138	E	29.6	Very low	39.1	Very low	189 Å²	189	127.8 Å²	127.8	88%	0.883	67%	0.669	S	S	*	*			trans	-62.2	97.8	178.9	-67.5	-175.4	161.4	0	0	107.6	P136 P140	P136-E138 PolarHBondContact O-N 3.28Å; E138-P140 WeakPolarHBondContact O-CD 3.48Å
139	D	29.7	Very low	39.7	Very low	112 Å²	112	127.5 Å²	127.5	60%	0.599	67%	0.666	S	S	*	*			trans	-87.6	98.9	159.6	-154.9	-14.2	0	0	0	107.1	E137 A141 D142	E137-D139 VanDerWaalsContact C-N 3.34Å; E137-D139 PolarHBondContact O-N 3.31Å; D139-A141 PolarHBondContact O-N 3.16Å; D139-D142 PolarHBondContact O-N 3.06Å
140	P	42.1	Very low	40.5	Very low	107 Å²	107	130.7 Å²	130.7	70%	0.695	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	-4.9	-175.1	24	-33.8	0	0	0	113.6	E138	E138-P140 WeakPolarHBondContact O-CD 3.48Å
141	A	33.9	Very low	41.2	Very low	78 Å²	78	130.3 Å²	130.3	65%	0.645	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-23.9	177	0	0	0	0	0	114.3	D139 C143	D139-A141 PolarHBondContact O-N 3.16Å; A141-C143 VanDerWaalsContact C-N 3.35Å
142	D	32.5	Very low	42.1	Very low	137 Å²	137	135.1 Å²	135.1	73%	0.733	68%	0.676	S	S	*	*			trans	-94.1	9.7	-177.7	-92.1	-2.2	0	0	0	114.1	D139 L144	D139-D142 PolarHBondContact O-N 3.06Å; D142-L144 PolarHBondContact O-N 3.37Å
143	C	38.8	Very low	43.9	Very low	100 Å²	100	136.3 Å²	136.3	68%	0.676	68%	0.675	S	S	*	*	S	Bend	trans	-65.6	78	160.5	-71.8	0	0	0	0	109.4	A141 R145	A141-C143 VanDerWaalsContact C-N 3.35Å; C143-R145 PolarHBondContact O-N 2.88Å
144	L	42.2	Very low	45.9	Very low	135 Å²	135	132.2 Å²	132.2	71%	0.707	66%	0.657	S	S	*	*			trans	-28.4	102	170.2	-69.6	161.6	0	0	0	110.2	D142 L146	D142-L144 PolarHBondContact O-N 3.37Å; L144-L146 VanDerWaalsContact C-N 3.28Å; L144-L146 PolarHBondContact O-N 3.34Å
145	R	41.9	Very low	48	Very low	242 Å²	242	128 Å²	128	91%	0.913	64%	0.636	S	S	*	*			trans	-61.5	87.7	176	-74.6	178.6	169.7	153.8	-2.2	109.5	C143 S147	C143-R145 PolarHBondContact O-N 2.88Å; R145-S147 PolarHBondContact O-N 2.82Å
146	L	54	Low	50.4	Low	46 Å²	46	126 Å²	126	24%	0.241	63%	0.627	C	S	.	*			trans	-62.7	123.7	170.3	-66.6	174	0	0	0	108.1	L144 L183 R187 L189 L221	L144-L146 VanDerWaalsContact C-N 3.28Å; L144-L146 PolarHBondContact O-N 3.34Å; L146-L183 HydrophobicContact CD1-CD2 4.25Å; L146-R187 WeakPolarHBondContact CB-O 3.48Å; L146-R187 HydrophobicContact CD2-CB 3.8Å; L146-R187 HydrophobicContact CD2-CG 4.47Å; L146-L189 HydrophobicContact CD1-CB 3.95Å; L146-L189 HydrophobicContact CD1-CD1 3.7Å; L146-L189 HydrophobicContact CD1-CG 4.45Å; L146-L221 HydrophobicContact CD1-CD2 4Å
147	S	49	Very low	52.8	Low	41 Å²	41	123.8 Å²	123.8	29%	0.287	61%	0.607	S	S	.	*			trans	-78.4	141.4	-162.9	75.2	0	0	0	0	112.6	R145 I149 R151 R187	R145-S147 PolarHBondContact O-N 2.82Å; S147-I149 WeakPolarHBondContact CB-O 3.35Å; S147-I149 PolarHBondContact OG-O 3.33Å; S147-I149 VanDerWaalsContact OG-O 3.06Å; S147-R151 PolarHBondContact O-NE 2.91Å; S147-R151 VanDerWaalsContact O-NE 3.08Å; S147-R151 PolarHBondContact O-NH2 3.45Å; S147-R187 PolarHBondContact N-O 2.85Å
148	K	53	Low	55.5	Low	190 Å²	190	115.1 Å²	115.1	83%	0.826	57%	0.566	S	S	*	*	S	Bend	trans	-84.6	-12.2	164.5	-72.4	-175.7	-179.6	178.1	0	112.4
149	I	51.1	Low	58.4	Low	122 Å²	122	108.1 Å²	108.1	63%	0.626	53%	0.534	S	S	*	.	S	Bend	trans	-124.8	136.4	-167.5	-52.7	172.2	0	0	0	108.5	S147	S147-I149 WeakPolarHBondContact CB-O 3.35Å; S147-I149 PolarHBondContact OG-O 3.33Å; S147-I149 VanDerWaalsContact OG-O 3.06Å
150	Y	53.3	Low	61.2	Low	226 Å²	226	110 Å²	110	89%	0.886	54%	0.537	S	S	*	.	S	Bend	trans	71.5	45.5	-174.4	-54.6	-74.7	0	0	0	117.1
151	R	62.4	Low	63.5	Low	94 Å²	94	106.5 Å²	106.5	36%	0.355	51%	0.513	S	S	.	.			trans	-83.2	141.6	170.9	-61.3	176.8	-178.6	176.1	-2.6	111	S147 V188	S147-R151 PolarHBondContact O-NE 2.91Å; S147-R151 VanDerWaalsContact O-NE 3.08Å; S147-R151 PolarHBondContact O-NH2 3.45Å; R151-V188 HydrophobicContact CG-CG2 4.24Å
152	R	64.4	Low	66.2	Low	195 Å²	195	102.8 Å²	102.8	74%	0.736	48%	0.482	S	S	*	.	S	Bend	trans	-74.6	-36.8	170.6	-62.8	-179.2	169.6	178.7	-2.5	111.7	D186	R152-D186 WeakPolarHBondContact CB-OD2 3.07Å
153	H	75.6	Confident	68.9	Low	82 Å²	82	100.2 Å²	100.2	38%	0.38	46%	0.464	S	S	.	.	S	Bend	trans	-138.2	153	-178.8	-62.4	-63.2	0	0	0	112.5	H157 Y158	H153-H157 HydrophobicContact CB-CB 3.8Å; H153-H157 AromaticContact CD2-CD2 3.92Å; H153-H157 AromaticContact CD2-NE2 3.97Å; H153-H157 AromaticContact CG-CD2 3.66Å; H153-H157 AromaticContact CG-CG 3.94Å; H153-H157 AromaticContact CG-NE2 3.97Å; H153-Y158 HydrophobicContact CB-CE2 4.26Å
154	P	77.7	Confident	71.4	Confident	75 Å²	75	103.5 Å²	103.5	49%	0.487	46%	0.462	S	S	.	.			trans	-68.8	156.8	172.3	29.5	-34.8	0	0	0	111.4	E156 H157	P154-E156 PolarHBondContact O-N 3.18Å; P154-E156 VanDerWaalsContact O-N 3.17Å; P154-H157 HydrophobicContact CG-CB 4.3Å; P154-H157 WeakPolarHBondContact O-CB 3.21Å; P154-H157 PolarHBondContact O-N 2.96Å
155	P	77.8	Confident	73.7	Confident	38 Å²	38	100.5 Å²	100.5	25%	0.247	44%	0.442	C	S	.	.	H	α-helix	trans	-52.1	-38.8	177.3	-23.9	31.2	0	0	0	113.5	H157 Y158 L159 V188 H194	P155-H157 PolarHBondContact O-N 3.01Å; P155-H157 VanDerWaalsContact O-N 3.14Å; P155-Y158 WeakPolarHBondContact O-CB 3.46Å; P155-Y158 PolarHBondContact O-N 3.05Å; P155-L159 PolarHBondContact O-N 3.12Å; P155-V188 HydrophobicContact CB-CG1 4.08Å; P155-V188 HydrophobicContact CG-CG1 3.77Å; P155-H194 PolarHBondContact O-NE2 2.72Å
156	E	83.4	Confident	75.9	Confident	133 Å²	133	89.5 Å²	89.5	62%	0.621	40%	0.402	S	S	*	.	H	α-helix	trans	-57.6	-29.5	178.1	-64.3	175.2	-164.3	0	0	114.1	P154 Y158 L159 K160	P154-E156 PolarHBondContact O-N 3.18Å; P154-E156 VanDerWaalsContact O-N 3.17Å; E156-Y158 VanDerWaalsContact C-N 3.32Å; E156-L159 PolarHBondContact O-N 3.2Å; E156-K160 WeakPolarHBondContact O-CG 3.33Å; E156-K160 PolarHBondContact O-N 3.41Å
157	H	85.9	Confident	77.4	Confident	68 Å²	68	95.9 Å²	95.9	32%	0.315	42%	0.423	S	S	.	.	H	α-helix	trans	-61.5	-44.8	175.7	-177.8	80.1	0	0	0	110.8	H153 P154 P155 K160 L161	H153-H157 HydrophobicContact CB-CB 3.8Å; H153-H157 AromaticContact CD2-CD2 3.92Å; H153-H157 AromaticContact CD2-NE2 3.97Å; H153-H157 AromaticContact CG-CD2 3.66Å; H153-H157 AromaticContact CG-CG 3.94Å; H153-H157 AromaticContact CG-NE2 3.97Å; P154-H157 HydrophobicContact CG-CB 4.3Å; P154-H157 WeakPolarHBondContact O-CB 3.21Å; P154-H157 PolarHBondContact O-N 2.96Å; P155-H157 PolarHBondContact O-N 3.01Å; P155-H157 VanDerWaalsContact O-N 3.14Å; H157-K160 PolarHBondContact O-N 3.48Å; H157-L161 WeakPolarHBondContact NE2-CD1 3.41Å; H157-L161 WeakPolarHBondContact O-CG 3.49Å; H157-L161 PolarHBondContact O-N 3.12Å
158	Y	87.2	Confident	79	Confident	7 Å²	7	97.5 Å²	97.5	3%	0.027	44%	0.439	C	S	.	.	H	α-helix	trans	-64.7	-41.9	176.3	-68.7	-72.8	0	0	0	111.7	H153 P155 E156 K160 L161 I162 V177 E181 M182 D186 V188	H153-Y158 HydrophobicContact CB-CE2 4.26Å; P155-Y158 WeakPolarHBondContact O-CB 3.46Å; P155-Y158 PolarHBondContact O-N 3.05Å; E156-Y158 VanDerWaalsContact C-N 3.32Å; Y158-K160 VanDerWaalsContact C-N 3.33Å; Y158-K160 PolarHBondContact O-N 3.29Å; Y158-L161 PolarHBondContact O-N 3.3Å; Y158-I162 WeakPolarHBondContact O-CB 3.38Å; Y158-I162 VanDerWaalsContact O-CG1 3.23Å; Y158-I162 WeakPolarHBondContact O-CG1 3.49Å; Y158-I162 PolarHBondContact O-N 3.13Å; Y158-V177 HydrophobicContact CD1-CG1 3.77Å; Y158-V177 HydrophobicContact CE1-CG1 4.45Å; Y158-E181 HydrophobicContact CE1-CB 3.92Å; Y158-M182 HydrophobicContact CD1-CB 3.95Å; Y158-M182 HydrophobicContact CD1-CG 4.35Å; Y158-M182 HydrophobicContact CD2-CG 4.2Å; Y158-M182 HydrophobicContact CE1-CB 4.19Å; Y158-M182 HydrophobicContact CG-CB 4.17Å; Y158-M182 HydrophobicContact CG-CG 4.06Å; Y158-M182 HydrophobicContact CG-SD 4.3Å; Y158-D186 HydrophobicContact CE2-CB 4.41Å; Y158-D186 VanDerWaalsContact OH-CB 3.29Å; Y158-D186 WeakPolarHBondContact OH-CB 3.17Å; Y158-D186 PolarHBondContact OH-OD2 3.13Å; Y158-V188 HydrophobicContact CE2-CG2 4.16Å
159	L	89.8	Confident	80.4	Confident	42 Å²	42	89.8 Å²	89.8	22%	0.22	41%	0.414	C	S	.	.	H	α-helix	trans	-58.6	-44.5	175.5	-177.4	60.8	0	0	0	112	P155 E156 K163 V193 M197	P155-L159 PolarHBondContact O-N 3.12Å; E156-L159 PolarHBondContact O-N 3.2Å; L159-K163 WeakPolarHBondContact O-CB 3.48Å; L159-K163 PolarHBondContact O-N 3.36Å; L159-V193 HydrophobicContact CD1-CG1 3.93Å; L159-V193 HydrophobicContact CD2-CG1 3.83Å; L159-M197 HydrophobicContact CD1-CB 4.07Å; L159-M197 HydrophobicContact CD1-CG 4.33Å
160	K	90.2	Very high	82.2	Confident	152 Å²	152	87.2 Å²	87.2	66%	0.661	40%	0.401	S	S	*	.	H	α-helix	trans	-63	-42.5	176.6	-71.4	178.5	-174.8	179.7	0	111.9	E156 H157 Y158 R164	E156-K160 WeakPolarHBondContact O-CG 3.33Å; E156-K160 PolarHBondContact O-N 3.41Å; H157-K160 PolarHBondContact O-N 3.48Å; Y158-K160 VanDerWaalsContact C-N 3.33Å; Y158-K160 PolarHBondContact O-N 3.29Å; K160-R164 WeakPolarHBondContact O-CB 3.36Å; K160-R164 PolarHBondContact O-N 2.96Å
161	L	89.8	Confident	83.9	Confident	34 Å²	34	77 Å²	77	18%	0.178	36%	0.362	C	S	.	.	H	α-helix	trans	-63.2	-51.5	176.5	-74.3	174.7	0	0	0	111.8	H157 Y158 K163 R164 Y165 V177	H157-L161 WeakPolarHBondContact NE2-CD1 3.41Å; H157-L161 WeakPolarHBondContact O-CG 3.49Å; H157-L161 PolarHBondContact O-N 3.12Å; Y158-L161 PolarHBondContact O-N 3.3Å; L161-K163 VanDerWaalsContact C-N 3.33Å; L161-K163 PolarHBondContact O-N 3.04Å; L161-R164 WeakPolarHBondContact O-CB 3.43Å; L161-R164 PolarHBondContact O-N 2.92Å; L161-R164 VanDerWaalsContact O-N 3.13Å; L161-Y165 HydrophobicContact CB-CE2 4.45Å; L161-Y165 HydrophobicContact CD2-CE2 4.47Å; L161-Y165 WeakPolarHBondContact O-CD2 3.42Å; L161-Y165 PolarHBondContact O-N 3.38Å; L161-V177 HydrophobicContact CB-CG1 4.25Å
162	I	90.7	Very high	85.3	Confident	0 Å²	0	77.4 Å²	77.4	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-57.4	-49.1	177.7	-67.9	166.9	0	0	0	109.7	Y158 R164 Y165 C166 V177 F178 M197 V198	Y158-I162 WeakPolarHBondContact O-CB 3.38Å; Y158-I162 VanDerWaalsContact O-CG1 3.23Å; Y158-I162 WeakPolarHBondContact O-CG1 3.49Å; Y158-I162 PolarHBondContact O-N 3.13Å; I162-R164 VanDerWaalsContact C-N 3.27Å; I162-R164 PolarHBondContact O-N 2.62Å; I162-Y165 PolarHBondContact O-N 3.42Å; I162-Y165 VanDerWaalsContact O-N 3.17Å; I162-C166 WeakPolarHBondContact O-CB 3.2Å; I162-C166 PolarHBondContact O-N 2.86Å; I162-C166 PolarHBondContact O-SG 3.4Å; I162-V177 HydrophobicContact CD1-CG1 4.46Å; I162-V177 HydrophobicContact CG1-CB 4.33Å; I162-V177 HydrophobicContact CG1-CG1 3.86Å; I162-F178 HydrophobicContact CD1-CB 4.34Å; I162-F178 HydrophobicContact CD1-CD2 4.18Å; I162-M197 HydrophobicContact CG2-CB 4.17Å; I162-M197 HydrophobicContact CG2-CG 3.75Å; I162-V198 HydrophobicContact CD1-CG2 4.08Å; I162-V198 HydrophobicContact CG1-CG2 4.48Å; I162-V198 HydrophobicContact CG2-CG2 3.54Å
163	K	89.6	Confident	86.5	Confident	83 Å²	83	69.2 Å²	69.2	36%	0.361	34%	0.344	S	S	.	.	H	α-helix	trans	-58.3	-39.7	178.2	-173.9	171.1	-176.3	173.6	0	111.8	L159 L161 R167 M197	L159-K163 WeakPolarHBondContact O-CB 3.48Å; L159-K163 PolarHBondContact O-N 3.36Å; L161-K163 VanDerWaalsContact C-N 3.33Å; L161-K163 PolarHBondContact O-N 3.04Å; K163-R167 VanDerWaalsContact CE-CZ 3.48Å; K163-R167 VanDerWaalsContact O-CB 3.29Å; K163-R167 WeakPolarHBondContact O-CB 3.29Å; K163-R167 WeakPolarHBondContact O-CG 3.38Å; K163-R167 PolarHBondContact O-N 2.91Å; K163-M197 HydrophobicContact CB-CE 4.4Å; K163-M197 HydrophobicContact CB-CG 4.19Å; K163-M197 HydrophobicContact CB-SD 4Å; K163-M197 HydrophobicContact CD-CE 4.04Å; K163-M197 HydrophobicContact CD-SD 4.47Å; K163-M197 HydrophobicContact CG-CE 4.14Å; K163-M197 HydrophobicContact CG-SD 3.91Å
164	R	90.9	Very high	87.2	Confident	168 Å²	168	65.4 Å²	65.4	63%	0.634	33%	0.327	S	S	*	.	H	α-helix	trans	-64.4	-47.1	175.4	-178.7	-176.7	172.3	-158.3	-4.8	111.9	K160 L161 I162 R167 A168	K160-R164 WeakPolarHBondContact O-CB 3.36Å; K160-R164 PolarHBondContact O-N 2.96Å; L161-R164 WeakPolarHBondContact O-CB 3.43Å; L161-R164 PolarHBondContact O-N 2.92Å; L161-R164 VanDerWaalsContact O-N 3.13Å; I162-R164 VanDerWaalsContact C-N 3.27Å; I162-R164 PolarHBondContact O-N 2.62Å; R164-R167 PolarHBondContact O-N 3.37Å; R164-A168 PolarHBondContact O-N 3.17Å
165	Y	90.1	Very high	88	Confident	72 Å²	72	62.3 Å²	62.3	28%	0.282	31%	0.306	S	S	.	.	H	α-helix	trans	-67.7	-42.7	179.5	-72.7	-61.5	0	0	0	112.5	L161 I162 R167 A168 G169 D170 S173 V177	L161-Y165 HydrophobicContact CB-CE2 4.45Å; L161-Y165 HydrophobicContact CD2-CE2 4.47Å; L161-Y165 WeakPolarHBondContact O-CD2 3.42Å; L161-Y165 PolarHBondContact O-N 3.38Å; I162-Y165 PolarHBondContact O-N 3.42Å; I162-Y165 VanDerWaalsContact O-N 3.17Å; Y165-R167 VanDerWaalsContact C-N 3.3Å; Y165-R167 PolarHBondContact O-N 2.95Å; Y165-A168 CarbonylContact O-C 3.6Å; Y165-A168 WeakPolarHBondContact O-CA 3.43Å; Y165-A168 WeakPolarHBondContact O-CB 3.27Å; Y165-A168 PolarHBondContact O-N 3.04Å; Y165-G169 PolarHBondContact O-N 3.22Å; Y165-G169 VanDerWaalsContact O-N 3.13Å; Y165-D170 PolarHBondContact O-N 3.32Å; Y165-D170 VanDerWaalsContact O-N 3.12Å; Y165-S173 WeakPolarHBondContact CD1-OG 3.43Å; Y165-S173 WeakPolarHBondContact CE1-OG 3.4Å; Y165-S173 VanDerWaalsContact CG-OG 3.3Å; Y165-V177 HydrophobicContact CD2-CG2 4.05Å; Y165-V177 HydrophobicContact CE2-CG2 3.8Å
166	C	87.1	Confident	88.6	Confident	11 Å²	11	63 Å²	63	7%	0.074	31%	0.312	C	S	.	.	H	α-helix	trans	-62.9	-35.6	174.5	-66.6	0	0	0	0	112.3	I162 A168 G169	I162-C166 WeakPolarHBondContact O-CB 3.2Å; I162-C166 PolarHBondContact O-N 2.86Å; I162-C166 PolarHBondContact O-SG 3.4Å; C166-A168 VanDerWaalsContact C-N 3.34Å; C166-G169 PolarHBondContact O-N 3.38Å
167	R	86	Confident	89	Confident	180 Å²	180	56.8 Å²	56.8	68%	0.679	28%	0.283	S	S	*	.	H	α-helix	trans	-69.3	-30.6	172.1	-78.1	175.4	173.1	-172.3	-7.5	112.8	K163 R164 Y165 G169	K163-R167 VanDerWaalsContact CE-CZ 3.48Å; K163-R167 VanDerWaalsContact O-CB 3.29Å; K163-R167 WeakPolarHBondContact O-CB 3.29Å; K163-R167 WeakPolarHBondContact O-CG 3.38Å; K163-R167 PolarHBondContact O-N 2.91Å; R164-R167 PolarHBondContact O-N 3.37Å; Y165-R167 VanDerWaalsContact C-N 3.3Å; Y165-R167 PolarHBondContact O-N 2.95Å; R167-G169 PolarHBondContact O-N 3.28Å
168	A	83.3	Confident	89.2	Confident	75 Å²	75	53.5 Å²	53.5	62%	0.62	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-3.2	174	0	0	0	0	0	113.5	R164 Y165 C166 D170	R164-A168 PolarHBondContact O-N 3.17Å; Y165-A168 CarbonylContact O-C 3.6Å; Y165-A168 WeakPolarHBondContact O-CA 3.43Å; Y165-A168 WeakPolarHBondContact O-CB 3.27Å; Y165-A168 PolarHBondContact O-N 3.04Å; C166-A168 VanDerWaalsContact C-N 3.34Å; A168-D170 PolarHBondContact O-N 3.03Å
169	G	82.8	Confident	89.5	Confident	29 Å²	29	54.9 Å²	54.9	30%	0.299	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.4	0.2	-176.4	0	0	0	0	0	114.8	Y165 C166 R167 T171	Y165-G169 PolarHBondContact O-N 3.22Å; Y165-G169 VanDerWaalsContact O-N 3.13Å; C166-G169 PolarHBondContact O-N 3.38Å; R167-G169 PolarHBondContact O-N 3.28Å; G169-T171 PolarHBondContact O-N 3.36Å; G169-T171 VanDerWaalsContact O-N 3.14Å
170	D	88.5	Confident	89.4	Confident	67 Å²	67	54 Å²	54	36%	0.358	27%	0.271	S	S	.	.			trans	-87.2	83	179.2	-174.7	6.3	0	0	0	110.5	Y165 A168 N172 S173 A174	Y165-D170 PolarHBondContact O-N 3.32Å; Y165-D170 VanDerWaalsContact O-N 3.12Å; A168-D170 PolarHBondContact O-N 3.03Å; D170-N172 VanDerWaalsContact C-N 3.3Å; D170-N172 PolarHBondContact O-N 3.49Å; D170-N172 PolarHBondContact OD1-N 3.12Å; D170-S173 PolarHBondContact O-OG 2.95Å; D170-S173 VanDerWaalsContact O-OG 3.12Å; D170-S173 PolarHBondContact OD1-N 3.01Å; D170-S173 PolarHBondContact OD1-OG 3.24Å; D170-S173 WeakPolarHBondContact OD2-CB 3.37Å; D170-S173 PolarHBondContact OD2-OG 3.25Å; D170-A174 PolarHBondContact O-N 3.49Å
171	T	89.1	Confident	89.2	Confident	12 Å²	12	49.7 Å²	49.7	7%	0.074	25%	0.253	C	S	.	.	H	α-helix	trans	-69.2	-26.5	178.4	49.9	0	0	0	0	113	G169 A174 L175 L202 V205	G169-T171 PolarHBondContact O-N 3.36Å; G169-T171 VanDerWaalsContact O-N 3.14Å; T171-A174 PolarHBondContact O-N 3.15Å; T171-L175 WeakPolarHBondContact O-CB 3.43Å; T171-L175 VanDerWaalsContact O-CG 3.23Å; T171-L175 WeakPolarHBondContact O-CG 3.29Å; T171-L175 PolarHBondContact O-N 3.47Å; T171-L202 HydrophobicContact CG2-CD2 4.13Å; T171-V205 HydrophobicContact CG2-CB 4.06Å; T171-V205 HydrophobicContact CG2-CG2 3.45Å; T171-V205 VanDerWaalsContact CG2-CG2 3.45Å
172	N	91.1	Very high	89.1	Confident	103 Å²	103	48 Å²	48	55%	0.551	25%	0.245	S	C	*	.	H	α-helix	trans	-68.6	-44.6	-179	-72.7	-39	0	0	0	111.5	D170 L175 S176	D170-N172 VanDerWaalsContact C-N 3.3Å; D170-N172 PolarHBondContact O-N 3.49Å; D170-N172 PolarHBondContact OD1-N 3.12Å; N172-L175 PolarHBondContact O-N 2.97Å; N172-S176 WeakPolarHBondContact O-CB 3.47Å; N172-S176 PolarHBondContact O-N 3.04Å
173	S	90	Very high	88.9	Confident	23 Å²	23	48.9 Å²	48.9	16%	0.161	25%	0.249	C	C	.	.	H	α-helix	trans	-67.8	-38.3	173.1	58.5	0	0	0	0	111.6	Y165 D170 L175 S176 V177	Y165-S173 WeakPolarHBondContact CD1-OG 3.43Å; Y165-S173 WeakPolarHBondContact CE1-OG 3.4Å; Y165-S173 VanDerWaalsContact CG-OG 3.3Å; D170-S173 PolarHBondContact O-OG 2.95Å; D170-S173 VanDerWaalsContact O-OG 3.12Å; D170-S173 PolarHBondContact OD1-N 3.01Å; D170-S173 PolarHBondContact OD1-OG 3.24Å; D170-S173 WeakPolarHBondContact OD2-CB 3.37Å; D170-S173 PolarHBondContact OD2-OG 3.25Å; S173-L175 VanDerWaalsContact C-N 3.33Å; S173-L175 PolarHBondContact O-N 3.49Å; S173-S176 WeakPolarHBondContact O-CB 3.42Å; S173-S176 PolarHBondContact O-N 3.16Å; S173-S176 VanDerWaalsContact O-N 3.15Å; S173-V177 VanDerWaalsContact O-CG2 3.32Å; S173-V177 WeakPolarHBondContact O-CG2 3.45Å; S173-V177 PolarHBondContact O-N 2.97Å
174	A	91	Very high	88.7	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.008	26%	0.262	C	S	.	.	H	α-helix	trans	-58.2	-43.4	173.4	0	0	0	0	0	112.4	D170 T171 V177 F178	D170-A174 PolarHBondContact O-N 3.49Å; T171-A174 PolarHBondContact O-N 3.15Å; A174-V177 PolarHBondContact O-N 3.46Å; A174-F178 WeakPolarHBondContact O-CB 3.49Å; A174-F178 PolarHBondContact O-N 3.46Å
175	L	92.9	Very high	88.2	Confident	10 Å²	10	49.6 Å²	49.6	5%	0.052	26%	0.259	C	S	.	.	H	α-helix	trans	-64.7	-41.6	173.9	-74.1	168.5	0	0	0	112	T171 N172 S173 V177 F178 F179 V198 L202 N210 V214	T171-L175 WeakPolarHBondContact O-CB 3.43Å; T171-L175 VanDerWaalsContact O-CG 3.23Å; T171-L175 WeakPolarHBondContact O-CG 3.29Å; T171-L175 PolarHBondContact O-N 3.47Å; N172-L175 PolarHBondContact O-N 2.97Å; S173-L175 VanDerWaalsContact C-N 3.33Å; S173-L175 PolarHBondContact O-N 3.49Å; L175-V177 VanDerWaalsContact C-N 3.34Å; L175-V177 PolarHBondContact O-N 3.26Å; L175-F178 PolarHBondContact O-N 3.23Å; L175-F179 HydrophobicContact CB-CD2 4.5Å; L175-F179 HydrophobicContact CD2-CD2 4.17Å; L175-F179 HydrophobicContact CD2-CE2 3.8Å; L175-F179 WeakPolarHBondContact O-CB 3.21Å; L175-F179 WeakPolarHBondContact O-CD2 3.38Å; L175-F179 PolarHBondContact O-N 3.42Å; L175-V198 HydrophobicContact CD2-CG1 4.06Å; L175-L202 HydrophobicContact CD1-CD2 4.09Å; L175-L202 HydrophobicContact CD2-CD1 4.19Å; L175-L202 HydrophobicContact CD2-CD2 4.4Å; L175-L202 HydrophobicContact CG-CD2 4.33Å; L175-N210 HydrophobicContact CD1-CB 3.72Å; L175-N210 HydrophobicContact CD2-CB 4.2Å; L175-V214 HydrophobicContact CD2-CG2 3.9Å
176	S	92.1	Very high	87.8	Confident	53 Å²	53	47 Å²	47	37%	0.371	25%	0.25	S	C	.	.	H	α-helix	trans	-60.3	-44.1	175.4	179	0	0	0	0	111.3	N172 S173 S180 E181	N172-S176 WeakPolarHBondContact O-CB 3.47Å; N172-S176 PolarHBondContact O-N 3.04Å; S173-S176 WeakPolarHBondContact O-CB 3.42Å; S173-S176 PolarHBondContact O-N 3.16Å; S173-S176 VanDerWaalsContact O-N 3.15Å; S176-S180 WeakPolarHBondContact O-CA 3.23Å; S176-S180 WeakPolarHBondContact O-CB 3.41Å; S176-S180 PolarHBondContact O-N 3.04Å; S176-S180 PolarHBondContact O-OG 3.31Å; S176-S180 PolarHBondContact OG-OG 2.88Å; S176-E181 PolarHBondContact O-N 2.98Å; S176-E181 VanDerWaalsContact O-N 3.16Å
177	V	90.5	Very high	87.4	Confident	2 Å²	2	53 Å²	53	1%	0.012	27%	0.271	C	S	.	.	I	π-helix	trans	-62.8	-44.3	176.5	173.7	0	0	0	0	110.5	Y158 L161 I162 Y165 S173 A174 L175 E181 M182	Y158-V177 HydrophobicContact CD1-CG1 3.77Å; Y158-V177 HydrophobicContact CE1-CG1 4.45Å; L161-V177 HydrophobicContact CB-CG1 4.25Å; I162-V177 HydrophobicContact CD1-CG1 4.46Å; I162-V177 HydrophobicContact CG1-CB 4.33Å; I162-V177 HydrophobicContact CG1-CG1 3.86Å; Y165-V177 HydrophobicContact CD2-CG2 4.05Å; Y165-V177 HydrophobicContact CE2-CG2 3.8Å; S173-V177 VanDerWaalsContact O-CG2 3.32Å; S173-V177 WeakPolarHBondContact O-CG2 3.45Å; S173-V177 PolarHBondContact O-N 2.97Å; A174-V177 PolarHBondContact O-N 3.46Å; L175-V177 VanDerWaalsContact C-N 3.34Å; L175-V177 PolarHBondContact O-N 3.26Å; V177-E181 PolarHBondContact O-N 3.17Å; V177-M182 WeakPolarHBondContact O-CB 3.28Å; V177-M182 PolarHBondContact O-N 2.85Å
178	F	91.7	Very high	87.2	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.238	C	C	.	.	I	π-helix	trans	-67.9	-49.3	-179.4	-175.7	-93.9	0	0	0	113.4	I162 A174 L175 M182 L183 P190 H194 V198 V214	I162-F178 HydrophobicContact CD1-CB 4.34Å; I162-F178 HydrophobicContact CD1-CD2 4.18Å; A174-F178 WeakPolarHBondContact O-CB 3.49Å; A174-F178 PolarHBondContact O-N 3.46Å; L175-F178 PolarHBondContact O-N 3.23Å; F178-M182 WeakPolarHBondContact O-CB 3.5Å; F178-L183 HydrophobicContact CE1-CD1 4.32Å; F178-L183 WeakPolarHBondContact O-CG 3.49Å; F178-P190 HydrophobicContact CE2-CB 3.7Å; F178-P190 HydrophobicContact CE2-CG 4.1Å; F178-P190 HydrophobicContact CZ-CB 4.12Å; F178-P190 HydrophobicContact CZ-CG 4.01Å; F178-H194 HydrophobicContact CE2-CB 4.31Å; F178-V198 HydrophobicContact CB-CG2 4.07Å; F178-V198 HydrophobicContact CD2-CG2 3.79Å; F178-V198 HydrophobicContact CG-CG2 4.04Å; F178-V214 HydrophobicContact CE1-CG1 4.2Å; F178-V214 HydrophobicContact CZ-CG1 4.23Å
179	F	91.6	Very high	87.2	Confident	36 Å²	36	44.9 Å²	44.9	16%	0.158	23%	0.23	C	C	.	.	I	π-helix	trans	-83.2	-49	-177	-75.3	-75	0	0	0	112.7	L175 L183 E184 V214 K217	L175-F179 HydrophobicContact CB-CD2 4.5Å; L175-F179 HydrophobicContact CD2-CD2 4.17Å; L175-F179 HydrophobicContact CD2-CE2 3.8Å; L175-F179 WeakPolarHBondContact O-CB 3.21Å; L175-F179 WeakPolarHBondContact O-CD2 3.38Å; L175-F179 PolarHBondContact O-N 3.42Å; F179-L183 HydrophobicContact CD1-CD1 4.26Å; F179-L183 WeakPolarHBondContact O-CB 3.3Å; F179-E184 WeakPolarHBondContact O-CG 3.29Å; F179-E184 PolarHBondContact O-N 3.03Å; F179-V214 HydrophobicContact CE2-CG2 3.81Å; F179-V214 HydrophobicContact CZ-CG2 3.97Å; F179-K217 HydrophobicContact CD1-CG 4.42Å; F179-K217 HydrophobicContact CE1-CB 3.8Å; F179-K217 HydrophobicContact CE1-CD 4.13Å; F179-K217 HydrophobicContact CE1-CG 3.79Å; F179-K217 HydrophobicContact CZ-CB 4.3Å
180	S	88.2	Confident	87.4	Confident	22 Å²	22	43.6 Å²	43.6	15%	0.154	22%	0.217	C	C	.	.	I	π-helix	trans	-89.2	-49.1	-172.3	78	0	0	0	0	113	S176 E184 K185	S176-S180 WeakPolarHBondContact O-CA 3.23Å; S176-S180 WeakPolarHBondContact O-CB 3.41Å; S176-S180 PolarHBondContact O-N 3.04Å; S176-S180 PolarHBondContact O-OG 3.31Å; S176-S180 PolarHBondContact OG-OG 2.88Å; S180-E184 WeakPolarHBondContact O-CB 3.44Å; S180-E184 PolarHBondContact O-N 3.12Å; S180-K185 WeakPolarHBondContact O-CG 3.11Å; S180-K185 PolarHBondContact O-N 3.41Å
181	E	85.9	Confident	87.3	Confident	62 Å²	62	42.9 Å²	42.9	29%	0.29	22%	0.217	S	C	.	.	I	π-helix	trans	-75.1	-47.6	-174.9	-58.3	-175	-175.2	0	0	111.4	Y158 S176 V177 K185 D186	Y158-E181 HydrophobicContact CE1-CB 3.92Å; S176-E181 PolarHBondContact O-N 2.98Å; S176-E181 VanDerWaalsContact O-N 3.16Å; V177-E181 PolarHBondContact O-N 3.17Å; E181-K185 HydrophobicContact CG-CD 4.48Å; E181-D186 WeakPolarHBondContact O-CB 3.47Å; E181-D186 PolarHBondContact O-N 3.21Å
182	M	87.3	Confident	87.3	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.234	C	C	.	.	I	π-helix	trans	-76.8	-51.9	-176.7	-169.6	179.4	-170.4	0	0	112.7	Y158 V177 F178 R187 V188 P190	Y158-M182 HydrophobicContact CD1-CB 3.95Å; Y158-M182 HydrophobicContact CD1-CG 4.35Å; Y158-M182 HydrophobicContact CD2-CG 4.2Å; Y158-M182 HydrophobicContact CE1-CB 4.19Å; Y158-M182 HydrophobicContact CG-CB 4.17Å; Y158-M182 HydrophobicContact CG-CG 4.06Å; Y158-M182 HydrophobicContact CG-SD 4.3Å; V177-M182 WeakPolarHBondContact O-CB 3.28Å; V177-M182 PolarHBondContact O-N 2.85Å; F178-M182 WeakPolarHBondContact O-CB 3.5Å; M182-R187 CarbonylContact O-C 3.54Å; M182-R187 WeakPolarHBondContact O-CA 3.43Å; M182-R187 PolarHBondContact O-N 3.5Å; M182-V188 HydrophobicContact CE-CB 4.14Å; M182-V188 HydrophobicContact CE-CG1 3.67Å; M182-V188 HydrophobicContact CG-CB 3.93Å; M182-V188 HydrophobicContact CG-CG1 4.46Å; M182-V188 PolarHBondContact O-N 3.16Å; M182-P190 HydrophobicContact CE-CB 3.88Å; M182-P190 HydrophobicContact SD-CB 3.97Å
183	L	87.2	Confident	87.3	Confident	18 Å²	18	46.4 Å²	46.4	9%	0.094	23%	0.23	C	C	.	.	I	π-helix	trans	-84.8	-44.3	-174.8	-65.9	170.7	0	0	0	113.8	L146 F178 F179 R187 P190 K217 L221	L146-L183 HydrophobicContact CD1-CD2 4.25Å; F178-L183 HydrophobicContact CE1-CD1 4.32Å; F178-L183 WeakPolarHBondContact O-CG 3.49Å; F179-L183 HydrophobicContact CD1-CD1 4.26Å; F179-L183 WeakPolarHBondContact O-CB 3.3Å; L183-R187 WeakPolarHBondContact O-CA 3.37Å; L183-P190 VanDerWaalsContact CD2-CD 3.43Å; L183-P190 HydrophobicContact CD2-CG 4Å; L183-K217 HydrophobicContact CD1-CD 4.22Å; L183-K217 HydrophobicContact CD1-CG 3.82Å; L183-L221 HydrophobicContact CD1-CD1 4.24Å; L183-L221 HydrophobicContact CD2-CD1 3.79Å; L183-L221 HydrophobicContact CD2-CD2 4.34Å
184	E	84.7	Confident	87.2	Confident	134 Å²	134	45.7 Å²	45.7	63%	0.626	22%	0.224	S	C	*	.	I	π-helix	trans	-85.3	-50.5	-174.7	-64.5	169.6	179	0	0	113	F179 S180	F179-E184 WeakPolarHBondContact O-CG 3.29Å; F179-E184 PolarHBondContact O-N 3.03Å; S180-E184 WeakPolarHBondContact O-CB 3.44Å; S180-E184 PolarHBondContact O-N 3.12Å
185	K	81.8	Confident	87.2	Confident	132 Å²	132	45.7 Å²	45.7	57%	0.574	22%	0.223	S	C	*	.	I	π-helix	trans	-78.9	-61.1	-174.3	-67.2	177.4	-170.7	164.1	0	112.3	S180 E181	S180-K185 WeakPolarHBondContact O-CG 3.11Å; S180-K185 PolarHBondContact O-N 3.41Å; E181-K185 HydrophobicContact CG-CD 4.48Å
186	D	80.9	Confident	87.2	Confident	17 Å²	17	46.2 Å²	46.2	9%	0.091	23%	0.226	C	C	.	.	S	Bend	trans	-89.9	-11.8	-175.3	-83.7	23.1	0	0	0	113.2	R152 Y158 E181 V188	R152-D186 WeakPolarHBondContact CB-OD2 3.07Å; Y158-D186 HydrophobicContact CE2-CB 4.41Å; Y158-D186 VanDerWaalsContact OH-CB 3.29Å; Y158-D186 WeakPolarHBondContact OH-CB 3.17Å; Y158-D186 PolarHBondContact OH-OD2 3.13Å; E181-D186 WeakPolarHBondContact O-CB 3.47Å; E181-D186 PolarHBondContact O-N 3.21Å; D186-V188 VanDerWaalsContact C-N 3.29Å; D186-V188 HydrophobicContact CB-CG2 4Å; D186-V188 PolarHBondContact O-N 3.25Å
187	R	79.6	Confident	87.3	Confident	136 Å²	136	45.8 Å²	45.8	51%	0.513	22%	0.218	S	C	.	.			trans	52.5	45.5	175.8	-58.8	-175.4	-179.1	-144.2	1	112.9	L146 S147 M182 L183	L146-R187 WeakPolarHBondContact CB-O 3.48Å; L146-R187 HydrophobicContact CD2-CB 3.8Å; L146-R187 HydrophobicContact CD2-CG 4.47Å; S147-R187 PolarHBondContact N-O 2.85Å; M182-R187 CarbonylContact O-C 3.54Å; M182-R187 WeakPolarHBondContact O-CA 3.43Å; M182-R187 PolarHBondContact O-N 3.5Å; L183-R187 WeakPolarHBondContact O-CA 3.37Å
188	V	81.9	Confident	87.4	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-94.9	128.3	176.9	-177.9	0	0	0	0	109.3	R151 P155 Y158 M182 D186 P190	R151-V188 HydrophobicContact CG-CG2 4.24Å; P155-V188 HydrophobicContact CB-CG1 4.08Å; P155-V188 HydrophobicContact CG-CG1 3.77Å; Y158-V188 HydrophobicContact CE2-CG2 4.16Å; M182-V188 HydrophobicContact CE-CB 4.14Å; M182-V188 HydrophobicContact CE-CG1 3.67Å; M182-V188 HydrophobicContact CG-CB 3.93Å; M182-V188 HydrophobicContact CG-CG1 4.46Å; M182-V188 PolarHBondContact O-N 3.16Å; D186-V188 VanDerWaalsContact C-N 3.29Å; D186-V188 HydrophobicContact CB-CG2 4Å; D186-V188 PolarHBondContact O-N 3.25Å; V188-P190 VanDerWaalsContact O-CD 3.28Å; V188-P190 WeakPolarHBondContact O-CD 3.42Å
189	L	82.8	Confident	87.5	Confident	86 Å²	86	45.9 Å²	45.9	45%	0.45	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-68.6	120.4	174.2	-176.9	70.5	0	0	0	110.3	L146 L221	L146-L189 HydrophobicContact CD1-CB 3.95Å; L146-L189 HydrophobicContact CD1-CD1 3.7Å; L146-L189 HydrophobicContact CD1-CG 4.45Å; L189-L221 HydrophobicContact CD1-CB 4.11Å; L189-L221 HydrophobicContact CD1-CD2 4.17Å
190	P	86.1	Confident	87.4	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.013	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-65.7	139.2	172.9	24.1	-31.4	0	0	0	111.1	F178 M182 L183 V188 H194 L221 I223	F178-P190 HydrophobicContact CE2-CB 3.7Å; F178-P190 HydrophobicContact CE2-CG 4.1Å; F178-P190 HydrophobicContact CZ-CB 4.12Å; F178-P190 HydrophobicContact CZ-CG 4.01Å; M182-P190 HydrophobicContact CE-CB 3.88Å; M182-P190 HydrophobicContact SD-CB 3.97Å; L183-P190 VanDerWaalsContact CD2-CD 3.43Å; L183-P190 HydrophobicContact CD2-CG 4Å; V188-P190 VanDerWaalsContact O-CD 3.28Å; V188-P190 WeakPolarHBondContact O-CD 3.42Å; P190-H194 HydrophobicContact CB-CB 4.04Å; P190-L221 HydrophobicContact CG-CD1 3.57Å; P190-I223 HydrophobicContact CB-CD1 4.43Å; P190-I223 HydrophobicContact CG-CD1 3.99Å; P190-I223 WeakPolarHBondContact O-CD1 3.19Å
191	S	87	Confident	87.5	Confident	52 Å²	52	44.8 Å²	44.8	36%	0.364	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-83.6	166.7	164.8	79.2	0	0	0	0	110.5	V193 H194 A195	S191-V193 PolarHBondContact O-N 2.86Å; S191-V193 VanDerWaalsContact O-N 3.15Å; S191-V193 PolarHBondContact OG-N 2.73Å; S191-H194 PolarHBondContact N-ND1 3.35Å; S191-H194 VanDerWaalsContact N-ND1 3.15Å; S191-H194 WeakPolarHBondContact O-CB 3.39Å; S191-H194 PolarHBondContact O-N 2.83Å; S191-H194 PolarHBondContact OG-CE1 2.9Å; S191-H194 VanDerWaalsContact OG-CE1 3.32Å; S191-H194 PolarHBondContact OG-ND1 3.42Å; S191-A195 PolarHBondContact O-N 3.45Å
192	R	89.2	Confident	87.8	Confident	112 Å²	112	41.9 Å²	41.9	42%	0.423	20%	0.199	S	C	.	.	H	α-helix	trans	-49.6	-39	173.5	-177.1	173.7	65.5	-171.6	-1.1	112.9	H194 A195 H196 I223 T226	R192-H194 VanDerWaalsContact C-N 3.33Å; R192-H194 PolarHBondContact O-N 2.8Å; R192-A195 PolarHBondContact O-N 2.74Å; R192-H196 VanDerWaalsContact CG-CE1 3.43Å; R192-H196 WeakPolarHBondContact CG-CE1 3.38Å; R192-H196 WeakPolarHBondContact O-CB 3.34Å; R192-H196 PolarHBondContact O-N 3.43Å; R192-I223 HydrophobicContact CB-CG2 4.21Å; R192-T226 VanDerWaalsContact NH1-CG2 3.3Å
193	V	89.9	Confident	87.9	Confident	77 Å²	77	42 Å²	42	47%	0.467	20%	0.2	S	C	.	.	H	α-helix	trans	-63.1	-37.8	179.8	-176.8	0	0	0	0	112	L159 S191 H196 M197	L159-V193 HydrophobicContact CD1-CG1 3.93Å; L159-V193 HydrophobicContact CD2-CG1 3.83Å; S191-V193 PolarHBondContact O-N 2.86Å; S191-V193 VanDerWaalsContact O-N 3.15Å; S191-V193 PolarHBondContact OG-N 2.73Å; V193-H196 PolarHBondContact O-N 2.88Å; V193-M197 WeakPolarHBondContact O-CB 3.36Å; V193-M197 PolarHBondContact O-N 3.34Å
194	H	89.7	Confident	88	Confident	8 Å²	8	46.7 Å²	46.7	4%	0.037	22%	0.217	C	C	.	.	H	α-helix	trans	-65.2	-47.7	177.1	-59.7	80	0	0	0	110.6	P155 F178 P190 S191 R192 M197 V198	P155-H194 PolarHBondContact O-NE2 2.72Å; F178-H194 HydrophobicContact CE2-CB 4.31Å; P190-H194 HydrophobicContact CB-CB 4.04Å; S191-H194 PolarHBondContact N-ND1 3.35Å; S191-H194 VanDerWaalsContact N-ND1 3.15Å; S191-H194 WeakPolarHBondContact O-CB 3.39Å; S191-H194 PolarHBondContact O-N 2.83Å; S191-H194 PolarHBondContact OG-CE1 2.9Å; S191-H194 VanDerWaalsContact OG-CE1 3.32Å; S191-H194 PolarHBondContact OG-ND1 3.42Å; R192-H194 VanDerWaalsContact C-N 3.33Å; R192-H194 PolarHBondContact O-N 2.8Å; H194-M197 PolarHBondContact O-N 2.85Å; H194-V198 WeakPolarHBondContact O-CG2 3.44Å; H194-V198 PolarHBondContact O-N 2.71Å; H194-V198 VanDerWaalsContact O-N 3.16Å
195	A	90.6	Very high	88	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-62.7	-44.2	177.6	0	0	0	0	0	111.5	S191 R192 M197 V198 L199 V214 M218	S191-A195 PolarHBondContact O-N 3.45Å; R192-A195 PolarHBondContact O-N 2.74Å; A195-M197 PolarHBondContact O-N 3.38Å; A195-V198 PolarHBondContact O-N 3.46Å; A195-L199 WeakPolarHBondContact O-CB 3.45Å; A195-L199 VanDerWaalsContact O-CG 3.27Å; A195-L199 WeakPolarHBondContact O-CG 3.35Å; A195-L199 PolarHBondContact O-N 3.3Å; A195-V214 HydrophobicContact CB-CG1 4.39Å; A195-M218 HydrophobicContact CB-CG 4.26Å; A195-M218 HydrophobicContact CB-SD 3.86Å
196	H	92.9	Very high	88.3	Confident	22 Å²	22	37.3 Å²	37.3	10%	0.102	18%	0.181	C	C	.	.	H	α-helix	trans	-61.1	-41.1	176.8	-74.4	-179.1	0	0	0	112.7	R192 V193 L199 D200 T229	R192-H196 VanDerWaalsContact CG-CE1 3.43Å; R192-H196 WeakPolarHBondContact CG-CE1 3.38Å; R192-H196 WeakPolarHBondContact O-CB 3.34Å; R192-H196 PolarHBondContact O-N 3.43Å; V193-H196 PolarHBondContact O-N 2.88Å; H196-L199 PolarHBondContact O-N 3.22Å; H196-D200 WeakPolarHBondContact O-CB 3.45Å; H196-D200 PolarHBondContact O-N 3.16Å; H196-T229 PolarHBondContact NE2-OG1 3.43Å
197	M	92.8	Very high	88.7	Confident	44 Å²	44	38.2 Å²	38.2	22%	0.217	19%	0.186	C	C	.	.	H	α-helix	trans	-63	-42.7	176.5	-172.8	62.4	55.8	0	0	112.2	L159 I162 K163 V193 H194 A195 D200 G201	L159-M197 HydrophobicContact CD1-CB 4.07Å; L159-M197 HydrophobicContact CD1-CG 4.33Å; I162-M197 HydrophobicContact CG2-CB 4.17Å; I162-M197 HydrophobicContact CG2-CG 3.75Å; K163-M197 HydrophobicContact CB-CE 4.4Å; K163-M197 HydrophobicContact CB-CG 4.19Å; K163-M197 HydrophobicContact CB-SD 4Å; K163-M197 HydrophobicContact CD-CE 4.04Å; K163-M197 HydrophobicContact CD-SD 4.47Å; K163-M197 HydrophobicContact CG-CE 4.14Å; K163-M197 HydrophobicContact CG-SD 3.91Å; V193-M197 WeakPolarHBondContact O-CB 3.36Å; V193-M197 PolarHBondContact O-N 3.34Å; H194-M197 PolarHBondContact O-N 2.85Å; A195-M197 PolarHBondContact O-N 3.38Å; M197-D200 PolarHBondContact O-N 2.98Å; M197-G201 PolarHBondContact O-N 3.3Å
198	V	93.4	Very high	89.2	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.006	16%	0.161	C	C	.	.	H	α-helix	trans	-64.7	-47.4	175.5	178.3	0	0	0	0	110.4	I162 L175 F178 H194 A195 D200 G201 L202 V214	I162-V198 HydrophobicContact CD1-CG2 4.08Å; I162-V198 HydrophobicContact CG1-CG2 4.48Å; I162-V198 HydrophobicContact CG2-CG2 3.54Å; L175-V198 HydrophobicContact CD2-CG1 4.06Å; F178-V198 HydrophobicContact CB-CG2 4.07Å; F178-V198 HydrophobicContact CD2-CG2 3.79Å; F178-V198 HydrophobicContact CG-CG2 4.04Å; H194-V198 WeakPolarHBondContact O-CG2 3.44Å; H194-V198 PolarHBondContact O-N 2.71Å; H194-V198 VanDerWaalsContact O-N 3.16Å; A195-V198 PolarHBondContact O-N 3.46Å; V198-D200 PolarHBondContact O-N 3.28Å; V198-G201 PolarHBondContact O-N 3.3Å; V198-L202 HydrophobicContact CG1-CD1 3.79Å; V198-L202 HydrophobicContact CG1-CG 4.23Å; V198-L202 VanDerWaalsContact O-CG 3.28Å; V198-L202 WeakPolarHBondContact O-CG 3.23Å; V198-L202 PolarHBondContact O-N 3.41Å; V198-V214 HydrophobicContact CG1-CG2 3.83Å
199	L	93.7	Very high	89.7	Confident	2 Å²	2	38.1 Å²	38.1	1%	0.01	19%	0.191	C	C	.	.	H	α-helix	trans	-59.1	-37.9	176.5	-71.9	174.8	0	0	0	111.7	A195 H196 L202 A203 A211 V214 T229 R232 L233	A195-L199 WeakPolarHBondContact O-CB 3.45Å; A195-L199 VanDerWaalsContact O-CG 3.27Å; A195-L199 WeakPolarHBondContact O-CG 3.35Å; A195-L199 PolarHBondContact O-N 3.3Å; H196-L199 PolarHBondContact O-N 3.22Å; L199-L202 PolarHBondContact O-N 3.11Å; L199-A203 WeakPolarHBondContact O-CB 3.16Å; L199-A203 PolarHBondContact O-N 3.14Å; L199-A211 HydrophobicContact CD2-CB 3.95Å; L199-A211 WeakPolarHBondContact CD2-O 3.28Å; L199-V214 HydrophobicContact CD2-CB 4.2Å; L199-V214 HydrophobicContact CD2-CG1 4.2Å; L199-V214 HydrophobicContact CG-CG1 4.2Å; L199-T229 HydrophobicContact CD1-CG2 3.87Å; L199-R232 HydrophobicContact CB-CB 4.15Å; L199-L233 HydrophobicContact CD2-CD2 3.91Å
200	D	90.5	Very high	90.2	Very high	33 Å²	33	35 Å²	35	18%	0.176	18%	0.175	C	C	.	.	H	α-helix	trans	-65.5	-43.7	177.3	-81.2	-31.8	0	0	0	112.3	H196 M197 V198 A203 R204 R232 R235	H196-D200 WeakPolarHBondContact O-CB 3.45Å; H196-D200 PolarHBondContact O-N 3.16Å; M197-D200 PolarHBondContact O-N 2.98Å; V198-D200 PolarHBondContact O-N 3.28Å; D200-A203 PolarHBondContact O-N 3.36Å; D200-R204 WeakPolarHBondContact O-CG 3.45Å; D200-R204 PolarHBondContact O-N 3.25Å; D200-R204 VanDerWaalsContact O-N 3.16Å; D200-R232 WeakPolarHBondContact OD1-CD 3.49Å; D200-R232 WeakPolarHBondContact OD1-CG 3.33Å; D200-R232 IonicContact OD1-CZ 3.97Å; D200-R232 IonicContact OD1-NE 2.98Å; D200-R232 PolarHBondContact OD1-NE 3.39Å; D200-R232 IonicContact OD1-NH2 3.67Å; D200-R232 IonicContact OD2-CZ 2.79Å; D200-R232 VanDerWaalsContact OD2-CZ 3.29Å; D200-R232 IonicContact OD2-NE 3.3Å; D200-R232 PolarHBondContact OD2-NE 3.2Å; D200-R232 IonicContact OD2-NH2 2.85Å; D200-R232 PolarHBondContact OD2-NH2 3.19Å; D200-R235 PolarHBondContact O-NH2 3.11Å; D200-R235 IonicContact OD1-CZ 3.25Å; D200-R235 IonicContact OD1-NH2 2.66Å; D200-R235 PolarHBondContact OD1-NH2 2.93Å
201	G	90	Very high	90.5	Very high	2 Å²	2	34.9 Å²	34.9	2%	0.021	17%	0.174	C	C	.	.	H	α-helix	trans	-62.3	-45.2	173.4	0	0	0	0	0	112.7	M197 V198 A203 R204 V205	M197-G201 PolarHBondContact O-N 3.3Å; V198-G201 PolarHBondContact O-N 3.3Å; G201-A203 VanDerWaalsContact C-N 3.32Å; G201-A203 PolarHBondContact O-N 2.88Å; G201-R204 PolarHBondContact O-N 2.83Å; G201-V205 PolarHBondContact O-N 3.47Å
202	L	91.2	Very high	90.9	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-63.9	-38.2	177.2	-68.3	170.4	0	0	0	112.2	T171 L175 V198 L199 R204 V205 G206 D207 N210 A211 V214	T171-L202 HydrophobicContact CG2-CD2 4.13Å; L175-L202 HydrophobicContact CD1-CD2 4.09Å; L175-L202 HydrophobicContact CD2-CD1 4.19Å; L175-L202 HydrophobicContact CD2-CD2 4.4Å; L175-L202 HydrophobicContact CG-CD2 4.33Å; V198-L202 HydrophobicContact CG1-CD1 3.79Å; V198-L202 HydrophobicContact CG1-CG 4.23Å; V198-L202 VanDerWaalsContact O-CG 3.28Å; V198-L202 WeakPolarHBondContact O-CG 3.23Å; V198-L202 PolarHBondContact O-N 3.41Å; L199-L202 PolarHBondContact O-N 3.11Å; L202-R204 VanDerWaalsContact C-N 3.26Å; L202-R204 PolarHBondContact O-N 2.69Å; L202-V205 PolarHBondContact O-N 2.73Å; L202-G206 PolarHBondContact O-N 3.02Å; L202-D207 HydrophobicContact CD2-CB 4.12Å; L202-D207 PolarHBondContact O-N 3Å; L202-D207 VanDerWaalsContact O-N 3.14Å; L202-N210 HydrophobicContact CD1-CB 4.24Å; L202-N210 HydrophobicContact CD2-CB 3.95Å; L202-A211 HydrophobicContact CB-CB 4.33Å; L202-A211 HydrophobicContact CD1-CB 4.13Å; L202-V214 HydrophobicContact CD1-CG2 4.11Å
203	A	89.9	Confident	91.1	Very high	2 Å²	2	35.2 Å²	35.2	2%	0.017	17%	0.169	C	C	.	.	H	α-helix	trans	-71.9	-19.3	178.4	0	0	0	0	0	113.5	L199 D200 G201 R235 A236 E239	L199-A203 WeakPolarHBondContact O-CB 3.16Å; L199-A203 PolarHBondContact O-N 3.14Å; D200-A203 PolarHBondContact O-N 3.36Å; G201-A203 VanDerWaalsContact C-N 3.32Å; G201-A203 PolarHBondContact O-N 2.88Å; A203-R235 HydrophobicContact CB-CB 4.38Å; A203-R235 HydrophobicContact CB-CG 4.3Å; A203-R235 PolarHBondContact O-NH1 3.2Å; A203-A236 HydrophobicContact CB-CB 3.77Å; A203-E239 VanDerWaalsContact O-CB 3.28Å; A203-E239 WeakPolarHBondContact O-CB 3.35Å
204	R	88.4	Confident	91.3	Very high	117 Å²	117	31.5 Å²	31.5	44%	0.442	15%	0.146	S	C	.	.	H	α-helix	trans	-78.1	-34.8	169.6	-72.9	175.3	-179.6	175.4	-4.5	112.4	D92 D200 G201 L202	D92-R204 IonicContact OD1-NH2 3.79Å; D92-R204 PolarHBondContact OD1-NH2 3.01Å; D92-R204 IonicContact OD2-CZ 3.45Å; D92-R204 IonicContact OD2-NE 2.74Å; D92-R204 IonicContact OD2-NH2 3.73Å; D92-R204 PolarHBondContact OD2-NH2 2.92Å; D200-R204 WeakPolarHBondContact O-CG 3.45Å; D200-R204 PolarHBondContact O-N 3.25Å; D200-R204 VanDerWaalsContact O-N 3.16Å; G201-R204 PolarHBondContact O-N 2.83Å; L202-R204 VanDerWaalsContact C-N 3.26Å; L202-R204 PolarHBondContact O-N 2.69Å
205	V	86.6	Confident	91.5	Very high	63 Å²	63	32.1 Å²	32.1	38%	0.382	15%	0.149	S	C	.	.	H	α-helix	trans	-81.3	-25	177.7	175.2	0	0	0	0	112.1	T171 G201 L202 T243	T171-V205 HydrophobicContact CG2-CB 4.06Å; T171-V205 HydrophobicContact CG2-CG2 3.45Å; T171-V205 VanDerWaalsContact CG2-CG2 3.45Å; G201-V205 PolarHBondContact O-N 3.47Å; L202-V205 PolarHBondContact O-N 2.73Å; V205-T243 WeakPolarHBondContact O-CG2 3.35Å
206	G	87	Confident	91.6	Very high	6 Å²	6	37.3 Å²	37.3	6%	0.062	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	81	37.4	-175.1	0	0	0	0	0	113	L202 D240	L202-G206 PolarHBondContact O-N 3.02Å; G206-D240 WeakPolarHBondContact O-CA 3.42Å; G206-D240 WeakPolarHBondContact O-CB 3.48Å
207	D	89.3	Confident	91.5	Very high	37 Å²	37	38.8 Å²	38.8	20%	0.198	18%	0.177	C	C	.	.			trans	-100	86.7	175.5	-172.6	-19.4	0	0	0	110.6	L202 E209 N210 A211	L202-D207 HydrophobicContact CD2-CB 4.12Å; L202-D207 PolarHBondContact O-N 3Å; L202-D207 VanDerWaalsContact O-N 3.14Å; D207-E209 VanDerWaalsContact C-N 3.31Å; D207-E209 PolarHBondContact O-N 2.71Å; D207-E209 PolarHBondContact OD1-N 3.46Å; D207-N210 PolarHBondContact OD1-N 3.4Å; D207-N210 PolarHBondContact OD2-ND2 3.3Å; D207-A211 WeakPolarHBondContact O-CB 3.38Å; D207-A211 PolarHBondContact O-N 2.89Å
208	S	91.3	Very high	91.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-68.9	-29.9	-179.7	71	0	0	0	0	112.4	A211 F212 D240 K293	S208-A211 PolarHBondContact O-N 3.39Å; S208-F212 WeakPolarHBondContact O-CD2 3.44Å; S208-F212 PolarHBondContact O-N 2.92Å; S208-D240 WeakPolarHBondContact CB-OD2 3.5Å; S208-D240 PolarHBondContact N-OD2 3.41Å; S208-D240 PolarHBondContact OG-OD2 3.34Å; S208-K293 WeakPolarHBondContact OG-CD 3.38Å; S208-K293 PolarHBondContact OG-NZ 2.84Å
209	E	91.8	Very high	91.2	Very high	133 Å²	133	39.4 Å²	39.4	62%	0.621	18%	0.183	S	C	*	.	H	α-helix	trans	-66.1	-52.2	-176.9	-173.6	168.9	165.8	0	0	111.7	D207 A211 F212 R213	D207-E209 VanDerWaalsContact C-N 3.31Å; D207-E209 PolarHBondContact O-N 2.71Å; D207-E209 PolarHBondContact OD1-N 3.46Å; E209-A211 VanDerWaalsContact C-N 3.25Å; E209-A211 PolarHBondContact O-N 2.8Å; E209-F212 PolarHBondContact O-N 2.67Å; E209-R213 PolarHBondContact O-N 3.41Å; E209-R213 VanDerWaalsContact O-N 3.11Å
210	N	93	Very high	91	Very high	21 Å²	21	44.3 Å²	44.3	11%	0.112	21%	0.207	C	C	.	.	H	α-helix	trans	-67.2	-29.8	175.9	-75.2	-48.4	0	0	0	111.8	L175 L202 D207 R213 V214	L175-N210 HydrophobicContact CD1-CB 3.72Å; L175-N210 HydrophobicContact CD2-CB 4.2Å; L202-N210 HydrophobicContact CD1-CB 4.24Å; L202-N210 HydrophobicContact CD2-CB 3.95Å; D207-N210 PolarHBondContact OD1-N 3.4Å; D207-N210 PolarHBondContact OD2-ND2 3.3Å; N210-R213 WeakPolarHBondContact O-CB 3.32Å; N210-R213 PolarHBondContact O-N 3.22Å; N210-R213 PolarHBondContact OD1-NH1 2.97Å; N210-R213 PolarHBondContact OD1-NH2 2.84Å; N210-V214 WeakPolarHBondContact O-CG2 3.42Å; N210-V214 PolarHBondContact O-N 2.92Å
211	A	93.5	Very high	90.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-63.5	-46.2	176.4	0	0	0	0	0	112	L199 L202 D207 S208 E209 R213 V214 Y215 L233 A236	L199-A211 HydrophobicContact CD2-CB 3.95Å; L199-A211 WeakPolarHBondContact CD2-O 3.28Å; L202-A211 HydrophobicContact CB-CB 4.33Å; L202-A211 HydrophobicContact CD1-CB 4.13Å; D207-A211 WeakPolarHBondContact O-CB 3.38Å; D207-A211 PolarHBondContact O-N 2.89Å; S208-A211 PolarHBondContact O-N 3.39Å; E209-A211 VanDerWaalsContact C-N 3.25Å; E209-A211 PolarHBondContact O-N 2.8Å; A211-R213 VanDerWaalsContact C-N 3.27Å; A211-R213 PolarHBondContact O-N 2.8Å; A211-V214 PolarHBondContact O-N 3.34Å; A211-Y215 PolarHBondContact O-N 3.45Å; A211-L233 HydrophobicContact CB-CD2 4.13Å; A211-A236 HydrophobicContact CB-CB 3.94Å
212	F	94.7	Very high	90.7	Very high	43 Å²	43	47.4 Å²	47.4	19%	0.189	24%	0.236	C	C	.	.	H	α-helix	trans	-67.6	-28.2	174	-79.5	-72.8	0	0	0	112.8	S208 E209 Y215 K216 L233 K293 F297	S208-F212 WeakPolarHBondContact O-CD2 3.44Å; S208-F212 PolarHBondContact O-N 2.92Å; E209-F212 PolarHBondContact O-N 2.67Å; F212-Y215 HydrophobicContact CD1-CD1 4.46Å; F212-Y215 PolarHBondContact O-N 3.04Å; F212-K216 WeakPolarHBondContact O-CB 3.5Å; F212-K216 PolarHBondContact O-N 3.49Å; F212-L233 HydrophobicContact CD1-CD2 4.31Å; F212-L233 HydrophobicContact CE1-CD1 4.39Å; F212-L233 HydrophobicContact CE1-CD2 4.36Å; F212-K293 HydrophobicContact CD2-CB 4.44Å; F212-K293 HydrophobicContact CD2-CD 3.96Å; F212-K293 HydrophobicContact CE2-CB 3.8Å; F212-K293 HydrophobicContact CE2-CD 4.05Å; F212-K293 HydrophobicContact CE2-CG 4.37Å; F212-K293 HydrophobicContact CZ-CB 4.36Å; F212-F297 HydrophobicContact CE1-CB 4.08Å; F212-F297 HydrophobicContact CE1-CD1 4.35Å; F212-F297 AromaticContact CE1-CD2 3.7Å; F212-F297 HydrophobicContact CE1-CD2 3.7Å; F212-F297 HydrophobicContact CE1-CE2 4.23Å; F212-F297 AromaticContact CE1-CG 3.78Å; F212-F297 HydrophobicContact CE1-CG 3.78Å; F212-F297 HydrophobicContact CZ-CB 3.99Å; F212-F297 HydrophobicContact CZ-CD1 4.39Å; F212-F297 HydrophobicContact CZ-CD2 4.39Å; F212-F297 HydrophobicContact CZ-CG 4.01Å
213	R	93.9	Very high	90.6	Very high	127 Å²	127	48.3 Å²	48.3	48%	0.479	24%	0.241	S	C	.	.	H	α-helix	trans	-65.3	-43.5	172.8	-132.4	172.9	69.1	-162.9	-3.1	112	E209 N210 A211 K216 K217	E209-R213 PolarHBondContact O-N 3.41Å; E209-R213 VanDerWaalsContact O-N 3.11Å; N210-R213 WeakPolarHBondContact O-CB 3.32Å; N210-R213 PolarHBondContact O-N 3.22Å; N210-R213 PolarHBondContact OD1-NH1 2.97Å; N210-R213 PolarHBondContact OD1-NH2 2.84Å; A211-R213 VanDerWaalsContact C-N 3.27Å; A211-R213 PolarHBondContact O-N 2.8Å; R213-K216 PolarHBondContact O-N 2.76Å; R213-K217 PolarHBondContact O-N 2.9Å
214	V	93	Very high	90.4	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-64.1	-42.1	173.2	173.3	0	0	0	0	110.6	L175 F178 F179 A195 V198 L199 L202 N210 A211 K217 M218	L175-V214 HydrophobicContact CD2-CG2 3.9Å; F178-V214 HydrophobicContact CE1-CG1 4.2Å; F178-V214 HydrophobicContact CZ-CG1 4.23Å; F179-V214 HydrophobicContact CE2-CG2 3.81Å; F179-V214 HydrophobicContact CZ-CG2 3.97Å; A195-V214 HydrophobicContact CB-CG1 4.39Å; V198-V214 HydrophobicContact CG1-CG2 3.83Å; L199-V214 HydrophobicContact CD2-CB 4.2Å; L199-V214 HydrophobicContact CD2-CG1 4.2Å; L199-V214 HydrophobicContact CG-CG1 4.2Å; L202-V214 HydrophobicContact CD1-CG2 4.11Å; N210-V214 WeakPolarHBondContact O-CG2 3.42Å; N210-V214 PolarHBondContact O-N 2.92Å; A211-V214 PolarHBondContact O-N 3.34Å; V214-K217 PolarHBondContact O-N 3.47Å; V214-M218 VanDerWaalsContact O-CB 3.29Å; V214-M218 WeakPolarHBondContact O-CB 3.24Å; V214-M218 PolarHBondContact O-N 3.24Å
215	Y	93.8	Very high	90.4	Very high	21 Å²	21	50.5 Å²	50.5	8%	0.082	26%	0.264	C	S	.	.	H	α-helix	trans	-60.9	-46.2	175.8	176.4	-108.9	0	0	0	112.8	A211 F212 K217 M218 T219 A225 T229 Y230 L233 F297	A211-Y215 PolarHBondContact O-N 3.45Å; F212-Y215 HydrophobicContact CD1-CD1 4.46Å; F212-Y215 PolarHBondContact O-N 3.04Å; Y215-K217 VanDerWaalsContact C-N 3.34Å; Y215-K217 PolarHBondContact O-N 3.27Å; Y215-M218 HydrophobicContact CD2-CE 3.82Å; Y215-M218 HydrophobicContact CE2-CE 4.08Å; Y215-M218 WeakPolarHBondContact O-CB 3.26Å; Y215-M218 PolarHBondContact O-N 3.38Å; Y215-T219 HydrophobicContact CE1-CG2 4.38Å; Y215-T219 HydrophobicContact CE2-CG2 4.19Å; Y215-T219 PolarHBondContact O-N 3.17Å; Y215-T219 PolarHBondContact O-OG1 3.29Å; Y215-A225 HydrophobicContact CE2-CB 3.71Å; Y215-T229 HydrophobicContact CD2-CG2 3.94Å; Y215-T229 HydrophobicContact CE2-CG2 4.26Å; Y215-Y230 HydrophobicContact CE2-CE1 4.02Å; Y215-L233 HydrophobicContact CD1-CD1 4.33Å; Y215-L233 HydrophobicContact CD2-CD1 3.65Å; Y215-L233 HydrophobicContact CE2-CD1 4.1Å; Y215-L233 HydrophobicContact CG-CD1 3.77Å; Y215-F297 HydrophobicContact CE1-CE2 4.02Å
216	K	92.3	Very high	90.5	Very high	109 Å²	109	49.2 Å²	49.2	47%	0.474	26%	0.257	S	S	.	.	H	α-helix	trans	-59.3	-46.4	175.8	-175.1	179.6	175.8	178.3	0	110.9	F212 R213 M218 T219 E220	F212-K216 WeakPolarHBondContact O-CB 3.5Å; F212-K216 PolarHBondContact O-N 3.49Å; R213-K216 PolarHBondContact O-N 2.76Å; K216-M218 VanDerWaalsContact C-N 3.32Å; K216-M218 PolarHBondContact O-N 3.41Å; K216-T219 WeakPolarHBondContact CA-OG1 3.33Å; K216-T219 PolarHBondContact O-N 3.06Å; K216-T219 PolarHBondContact O-OG1 2.89Å; K216-E220 WeakPolarHBondContact CE-OE1 3.28Å; K216-E220 WeakPolarHBondContact CG-OE1 3.44Å; K216-E220 WeakPolarHBondContact O-CG 3.15Å; K216-E220 PolarHBondContact O-N 2.99Å
217	K	90.9	Very high	90.5	Very high	52 Å²	52	51.2 Å²	51.2	23%	0.226	27%	0.265	C	S	.	.	H	α-helix	trans	-62	-40.3	176.4	-165.4	73.3	-146.2	156.9	0	112.2	F179 L183 R213 V214 Y215 T219 E220 L221	F179-K217 HydrophobicContact CD1-CG 4.42Å; F179-K217 HydrophobicContact CE1-CB 3.8Å; F179-K217 HydrophobicContact CE1-CD 4.13Å; F179-K217 HydrophobicContact CE1-CG 3.79Å; F179-K217 HydrophobicContact CZ-CB 4.3Å; L183-K217 HydrophobicContact CD1-CD 4.22Å; L183-K217 HydrophobicContact CD1-CG 3.82Å; R213-K217 PolarHBondContact O-N 2.9Å; V214-K217 PolarHBondContact O-N 3.47Å; Y215-K217 VanDerWaalsContact C-N 3.34Å; Y215-K217 PolarHBondContact O-N 3.27Å; K217-T219 VanDerWaalsContact C-N 3.31Å; K217-T219 PolarHBondContact O-N 3.34Å; K217-E220 WeakPolarHBondContact CD-OE2 3.36Å; K217-E220 IonicContact NZ-OE2 2.76Å; K217-E220 PolarHBondContact NZ-OE2 3.19Å; K217-E220 PolarHBondContact O-N 3.01Å; K217-L221 HydrophobicContact CG-CD1 3.98Å; K217-L221 HydrophobicContact CG-CG 4.44Å; K217-L221 WeakPolarHBondContact O-CB 3.28Å; K217-L221 WeakPolarHBondContact O-CG 3.48Å; K217-L221 PolarHBondContact O-N 3.14Å
218	M	91.5	Very high	90.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-59.7	-43.4	176.1	-170.8	-174.7	77.2	0	0	110.8	A195 V214 Y215 K216 L221 I223 A225 T229	A195-M218 HydrophobicContact CB-CG 4.26Å; A195-M218 HydrophobicContact CB-SD 3.86Å; V214-M218 VanDerWaalsContact O-CB 3.29Å; V214-M218 WeakPolarHBondContact O-CB 3.24Å; V214-M218 PolarHBondContact O-N 3.24Å; Y215-M218 HydrophobicContact CD2-CE 3.82Å; Y215-M218 HydrophobicContact CE2-CE 4.08Å; Y215-M218 WeakPolarHBondContact O-CB 3.26Å; Y215-M218 PolarHBondContact O-N 3.38Å; K216-M218 VanDerWaalsContact C-N 3.32Å; K216-M218 PolarHBondContact O-N 3.41Å; M218-L221 PolarHBondContact O-N 3.4Å; M218-I223 HydrophobicContact CG-CB 3.47Å; M218-I223 VanDerWaalsContact CG-CB 3.47Å; M218-I223 HydrophobicContact CG-CD1 4.09Å; M218-I223 HydrophobicContact CG-CG1 4.39Å; M218-I223 HydrophobicContact CG-CG2 3.52Å; M218-I223 WeakPolarHBondContact O-CB 3.46Å; M218-I223 PolarHBondContact O-N 3.19Å; M218-I223 HydrophobicContact SD-CG2 4.03Å; M218-A225 HydrophobicContact CE-CB 3.7Å; M218-T229 HydrophobicContact CE-CG2 3.6Å; M218-T229 HydrophobicContact SD-CG2 4.23Å
219	T	88.8	Confident	90.3	Very high	58 Å²	58	50.4 Å²	50.4	36%	0.356	26%	0.263	S	S	.	.	H	α-helix	trans	-68.8	-39.4	176	52.4	0	0	0	0	113.3	Y215 K216 K217 L221 G222	Y215-T219 HydrophobicContact CE1-CG2 4.38Å; Y215-T219 HydrophobicContact CE2-CG2 4.19Å; Y215-T219 PolarHBondContact O-N 3.17Å; Y215-T219 PolarHBondContact O-OG1 3.29Å; K216-T219 WeakPolarHBondContact CA-OG1 3.33Å; K216-T219 PolarHBondContact O-N 3.06Å; K216-T219 PolarHBondContact O-OG1 2.89Å; K217-T219 VanDerWaalsContact C-N 3.31Å; K217-T219 PolarHBondContact O-N 3.34Å; T219-L221 VanDerWaalsContact C-N 3.26Å; T219-L221 PolarHBondContact O-N 3.21Å; T219-G222 PolarHBondContact O-N 3.45Å; T219-G222 VanDerWaalsContact O-N 3.12Å
220	E	90.2	Very high	90.4	Very high	106 Å²	106	44.9 Å²	44.9	50%	0.495	24%	0.237	S	C	.	.	H	α-helix	trans	-62.8	-32.4	175.1	-73.1	169.4	-166.9	0	0	112.5	K216 K217 G222	K216-E220 WeakPolarHBondContact CE-OE1 3.28Å; K216-E220 WeakPolarHBondContact CG-OE1 3.44Å; K216-E220 WeakPolarHBondContact O-CG 3.15Å; K216-E220 PolarHBondContact O-N 2.99Å; K217-E220 WeakPolarHBondContact CD-OE2 3.36Å; K217-E220 IonicContact NZ-OE2 2.76Å; K217-E220 PolarHBondContact NZ-OE2 3.19Å; K217-E220 PolarHBondContact O-N 3.01Å; E220-G222 PolarHBondContact O-N 2.88Å
221	L	88.3	Confident	90.2	Very high	40 Å²	40	44.9 Å²	44.9	21%	0.209	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	3.3	178.1	-66.7	171.2	0	0	0	113.2	L146 L183 L189 P190 K217 M218 T219 I223	L146-L221 HydrophobicContact CD1-CD2 4Å; L183-L221 HydrophobicContact CD1-CD1 4.24Å; L183-L221 HydrophobicContact CD2-CD1 3.79Å; L183-L221 HydrophobicContact CD2-CD2 4.34Å; L189-L221 HydrophobicContact CD1-CB 4.11Å; L189-L221 HydrophobicContact CD1-CD2 4.17Å; P190-L221 HydrophobicContact CG-CD1 3.57Å; K217-L221 HydrophobicContact CG-CD1 3.98Å; K217-L221 HydrophobicContact CG-CG 4.44Å; K217-L221 WeakPolarHBondContact O-CB 3.28Å; K217-L221 WeakPolarHBondContact O-CG 3.48Å; K217-L221 PolarHBondContact O-N 3.14Å; M218-L221 PolarHBondContact O-N 3.4Å; T219-L221 VanDerWaalsContact C-N 3.26Å; T219-L221 PolarHBondContact O-N 3.21Å; L221-I223 VanDerWaalsContact C-N 3.28Å; L221-I223 HydrophobicContact CB-CD1 4.08Å; L221-I223 HydrophobicContact CB-CG1 4.22Å; L221-I223 HydrophobicContact CD1-CD1 4.36Å; L221-I223 PolarHBondContact O-N 3.36Å
222	G	86.3	Confident	90.2	Very high	59 Å²	59	47.3 Å²	47.3	61%	0.608	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.5	19.7	-177.8	0	0	0	0	0	114.2	T219 E220 N224	T219-G222 PolarHBondContact O-N 3.45Å; T219-G222 VanDerWaalsContact O-N 3.12Å; E220-G222 PolarHBondContact O-N 2.88Å; G222-N224 PolarHBondContact O-N 3.45Å
223	I	88.4	Confident	90.2	Very high	21 Å²	21	45.3 Å²	45.3	11%	0.108	24%	0.239	C	C	.	.			trans	-85.1	109.4	176.3	-57.2	162.4	0	0	0	108	P190 R192 M218 L221 A225	P190-I223 HydrophobicContact CB-CD1 4.43Å; P190-I223 HydrophobicContact CG-CD1 3.99Å; P190-I223 WeakPolarHBondContact O-CD1 3.19Å; R192-I223 HydrophobicContact CB-CG2 4.21Å; M218-I223 HydrophobicContact CG-CB 3.47Å; M218-I223 VanDerWaalsContact CG-CB 3.47Å; M218-I223 HydrophobicContact CG-CD1 4.09Å; M218-I223 HydrophobicContact CG-CG1 4.39Å; M218-I223 HydrophobicContact CG-CG2 3.52Å; M218-I223 WeakPolarHBondContact O-CB 3.46Å; M218-I223 PolarHBondContact O-N 3.19Å; M218-I223 HydrophobicContact SD-CG2 4.03Å; L221-I223 VanDerWaalsContact C-N 3.28Å; L221-I223 HydrophobicContact CB-CD1 4.08Å; L221-I223 HydrophobicContact CB-CG1 4.22Å; L221-I223 HydrophobicContact CD1-CD1 4.36Å; L221-I223 PolarHBondContact O-N 3.36Å; I223-A225 PolarHBondContact O-N 3.25Å
224	N	85.4	Confident	90.2	Very high	139 Å²	139	39.3 Å²	39.3	74%	0.743	22%	0.216	S	C	*	.			trans	-60.3	126.9	-178.2	-67.7	-15.2	0	0	0	111.8	G222	G222-N224 PolarHBondContact O-N 3.45Å
225	A	89	Confident	90.2	Very high	25 Å²	25	43 Å²	43	21%	0.207	23%	0.23	C	C	.	.			trans	-69.4	147.8	171.9	0	0	0	0	0	110.7	Y215 M218 I223 T229 Y230	Y215-A225 HydrophobicContact CE2-CB 3.71Å; M218-A225 HydrophobicContact CE-CB 3.7Å; I223-A225 PolarHBondContact O-N 3.25Å; A225-T229 HydrophobicContact CB-CG2 4.42Å; A225-Y230 HydrophobicContact CB-CE1 3.64Å
226	T	87.7	Confident	90.1	Very high	37 Å²	37	42 Å²	42	23%	0.227	23%	0.227	C	C	.	.			trans	-126.5	169.9	179	54	0	0	0	0	110	R192 A228 T229 Y230	R192-T226 VanDerWaalsContact NH1-CG2 3.3Å; T226-A228 PolarHBondContact O-N 3.23Å; T226-T229 PolarHBondContact N-OG1 3.14Å; T226-T229 VanDerWaalsContact N-OG1 3.16Å; T226-T229 WeakPolarHBondContact O-CA 3.47Å; T226-T229 WeakPolarHBondContact O-CB 3.35Å; T226-T229 PolarHBondContact O-N 2.87Å; T226-T229 PolarHBondContact O-OG1 3.47Å; T226-T229 PolarHBondContact OG1-OG1 3.04Å; T226-Y230 WeakPolarHBondContact O-CD2 3.19Å; T226-Y230 PolarHBondContact O-N 3.25Å; T226-Y230 VanDerWaalsContact O-N 3.13Å
227	Q	87.3	Confident	90.2	Very high	47 Å²	47	36.9 Å²	36.9	22%	0.22	20%	0.204	C	C	.	.	H	α-helix	trans	-51	-42.3	172.1	-58.7	-56.5	-33.9	0	0	111.9	T229 Y230 S231 P307 N309 T312	Q227-T229 VanDerWaalsContact C-N 3.25Å; Q227-T229 PolarHBondContact O-N 3.43Å; Q227-Y230 PolarHBondContact O-N 3.4Å; Q227-S231 PolarHBondContact O-N 2.84Å; Q227-S231 PolarHBondContact O-OG 3.12Å; Q227-P307 PolarHBondContact NE2-O 3.04Å; Q227-P307 PolarHBondContact OE1-O 3.4Å; Q227-N309 VanDerWaalsContact CB-ND2 3.32Å; Q227-N309 WeakPolarHBondContact CB-ND2 3.01Å; Q227-N309 HydrophobicContact CG-CB 4.37Å; Q227-T312 HydrophobicContact CB-CG2 4.16Å; Q227-T312 VanDerWaalsContact O-CG2 3.24Å; Q227-T312 WeakPolarHBondContact O-CG2 3.35Å; Q227-T312 PolarHBondContact OE1-OG1 2.98Å
228	A	88.3	Confident	90.2	Very high	21 Å²	21	34.4 Å²	34.4	17%	0.174	19%	0.194	C	C	.	.	H	α-helix	trans	-60.2	-31.2	175.6	0	0	0	0	0	113.5	T226 R232	T226-A228 PolarHBondContact O-N 3.23Å; A228-R232 WeakPolarHBondContact O-CD 3.27Å; A228-R232 VanDerWaalsContact O-CG 3.23Å; A228-R232 WeakPolarHBondContact O-CG 3.12Å; A228-R232 PolarHBondContact O-N 2.8Å; A228-R232 PolarHBondContact O-NH1 3.47Å
229	T	89.1	Confident	90.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-69.1	-46.2	171.8	-49.4	0	0	0	0	110.5	H196 L199 Y215 M218 A225 T226 Q227 R232 L233	H196-T229 PolarHBondContact NE2-OG1 3.43Å; L199-T229 HydrophobicContact CD1-CG2 3.87Å; Y215-T229 HydrophobicContact CD2-CG2 3.94Å; Y215-T229 HydrophobicContact CE2-CG2 4.26Å; M218-T229 HydrophobicContact CE-CG2 3.6Å; M218-T229 HydrophobicContact SD-CG2 4.23Å; A225-T229 HydrophobicContact CB-CG2 4.42Å; T226-T229 PolarHBondContact N-OG1 3.14Å; T226-T229 VanDerWaalsContact N-OG1 3.16Å; T226-T229 WeakPolarHBondContact O-CA 3.47Å; T226-T229 WeakPolarHBondContact O-CB 3.35Å; T226-T229 PolarHBondContact O-N 2.87Å; T226-T229 PolarHBondContact O-OG1 3.47Å; T226-T229 PolarHBondContact OG1-OG1 3.04Å; Q227-T229 VanDerWaalsContact C-N 3.25Å; Q227-T229 PolarHBondContact O-N 3.43Å; T229-R232 PolarHBondContact O-N 3.3Å; T229-L233 HydrophobicContact CG2-CD1 4.3Å; T229-L233 WeakPolarHBondContact O-CG 3.2Å; T229-L233 PolarHBondContact O-N 3.4Å
230	Y	92	Very high	90.2	Very high	17 Å²	17	34.1 Å²	34.1	7%	0.067	19%	0.189	C	C	.	.	H	α-helix	trans	-65.9	-43	-177.5	-55.2	-34.6	0	0	0	112.2	Y215 A225 T226 Q227 R232 L233 F234 F297 L301 I306	Y215-Y230 HydrophobicContact CE2-CE1 4.02Å; A225-Y230 HydrophobicContact CB-CE1 3.64Å; T226-Y230 WeakPolarHBondContact O-CD2 3.19Å; T226-Y230 PolarHBondContact O-N 3.25Å; T226-Y230 VanDerWaalsContact O-N 3.13Å; Q227-Y230 PolarHBondContact O-N 3.4Å; Y230-R232 VanDerWaalsContact C-N 3.28Å; Y230-R232 PolarHBondContact O-N 2.88Å; Y230-L233 PolarHBondContact O-N 2.95Å; Y230-F234 WeakPolarHBondContact O-CD2 3.35Å; Y230-F234 PolarHBondContact O-N 2.95Å; Y230-F297 HydrophobicContact CD1-CE1 4.07Å; Y230-F297 AromaticContact CD1-CZ 3.48Å; Y230-F297 HydrophobicContact CD1-CZ 3.48Å; Y230-F297 VanDerWaalsContact CD1-CZ 3.48Å; Y230-F297 AromaticContact CE1-CZ 3.92Å; Y230-F297 HydrophobicContact CE1-CZ 3.92Å; Y230-F297 HydrophobicContact CG-CE1 4.49Å; Y230-F297 HydrophobicContact CG-CZ 4.28Å; Y230-L301 HydrophobicContact CD1-CD2 4.21Å; Y230-L301 HydrophobicContact CD2-CD2 4.12Å; Y230-L301 HydrophobicContact CE1-CD2 3.93Å; Y230-L301 HydrophobicContact CE2-CD2 3.92Å; Y230-L301 HydrophobicContact CG-CD1 4.42Å; Y230-L301 HydrophobicContact CG-CD2 4.25Å; Y230-I306 HydrophobicContact CE2-CG2 3.83Å
231	S	90.5	Very high	90.1	Very high	20 Å²	20	29 Å²	29	14%	0.14	17%	0.165	C	C	.	.	H	α-helix	trans	-58	-41.4	174.2	-59.5	0	0	0	0	111.6	Q227 R235 F311 T312	Q227-S231 PolarHBondContact O-N 2.84Å; Q227-S231 PolarHBondContact O-OG 3.12Å; S231-R235 VanDerWaalsContact O-CB 3.26Å; S231-R235 WeakPolarHBondContact O-CB 3.34Å; S231-R235 PolarHBondContact O-N 2.97Å; S231-F311 PolarHBondContact OG-O 3.43Å; S231-T312 WeakPolarHBondContact OG-CA 3.41Å; S231-T312 WeakPolarHBondContact OG-CG2 3.1Å; S231-T312 PolarHBondContact OG-N 2.94Å
232	R	93.1	Very high	90	Very high	52 Å²	52	27.6 Å²	27.6	20%	0.196	16%	0.159	C	C	.	.	H	α-helix	trans	-66.3	-38.4	177.6	-73.9	171.4	170.5	71	5.5	112.7	L199 D200 A228 T229 Y230 R235 A236	L199-R232 HydrophobicContact CB-CB 4.15Å; D200-R232 WeakPolarHBondContact OD1-CD 3.49Å; D200-R232 WeakPolarHBondContact OD1-CG 3.33Å; D200-R232 IonicContact OD1-CZ 3.97Å; D200-R232 IonicContact OD1-NE 2.98Å; D200-R232 PolarHBondContact OD1-NE 3.39Å; D200-R232 IonicContact OD1-NH2 3.67Å; D200-R232 IonicContact OD2-CZ 2.79Å; D200-R232 VanDerWaalsContact OD2-CZ 3.29Å; D200-R232 IonicContact OD2-NE 3.3Å; D200-R232 PolarHBondContact OD2-NE 3.2Å; D200-R232 IonicContact OD2-NH2 2.85Å; D200-R232 PolarHBondContact OD2-NH2 3.19Å; A228-R232 WeakPolarHBondContact O-CD 3.27Å; A228-R232 VanDerWaalsContact O-CG 3.23Å; A228-R232 WeakPolarHBondContact O-CG 3.12Å; A228-R232 PolarHBondContact O-N 2.8Å; A228-R232 PolarHBondContact O-NH1 3.47Å; T229-R232 PolarHBondContact O-N 3.3Å; Y230-R232 VanDerWaalsContact C-N 3.28Å; Y230-R232 PolarHBondContact O-N 2.88Å; R232-R235 PolarHBondContact O-N 2.87Å; R232-A236 WeakPolarHBondContact O-CB 3.17Å; R232-A236 PolarHBondContact O-N 3Å
233	L	93.9	Very high	89.8	Confident	1 Å²	1	25.4 Å²	25.4	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-66	-46.8	176.1	-71.1	168.5	0	0	0	111.6	L199 A211 F212 Y215 T229 Y230 R235 A236 C237 F297	L199-L233 HydrophobicContact CD2-CD2 3.91Å; A211-L233 HydrophobicContact CB-CD2 4.13Å; F212-L233 HydrophobicContact CD1-CD2 4.31Å; F212-L233 HydrophobicContact CE1-CD1 4.39Å; F212-L233 HydrophobicContact CE1-CD2 4.36Å; Y215-L233 HydrophobicContact CD1-CD1 4.33Å; Y215-L233 HydrophobicContact CD2-CD1 3.65Å; Y215-L233 HydrophobicContact CE2-CD1 4.1Å; Y215-L233 HydrophobicContact CG-CD1 3.77Å; T229-L233 HydrophobicContact CG2-CD1 4.3Å; T229-L233 WeakPolarHBondContact O-CG 3.2Å; T229-L233 PolarHBondContact O-N 3.4Å; Y230-L233 PolarHBondContact O-N 2.95Å; L233-R235 VanDerWaalsContact C-N 3.32Å; L233-R235 PolarHBondContact O-N 2.86Å; L233-A236 WeakPolarHBondContact O-CB 3.27Å; L233-A236 PolarHBondContact O-N 2.91Å; L233-C237 PolarHBondContact O-N 2.85Å; L233-C237 PolarHBondContact O-SG 3.45Å; L233-F297 HydrophobicContact CB-CE1 4.25Å; L233-F297 HydrophobicContact CD1-CE1 4.03Å; L233-F297 HydrophobicContact CD1-CE2 4.22Å; L233-F297 HydrophobicContact CD1-CZ 3.67Å
234	F	94.7	Very high	89.6	Confident	1 Å²	1	25.9 Å²	25.9	0%	0.004	13%	0.134	C	C	.	.	H	α-helix	trans	-62.9	-39.4	174.7	-73	-55.2	0	0	0	111.9	Y230 A236 C237 A238 V294 F297 W298 L301 A315 L316	Y230-F234 WeakPolarHBondContact O-CD2 3.35Å; Y230-F234 PolarHBondContact O-N 2.95Å; F234-A236 VanDerWaalsContact C-N 3.33Å; F234-A236 PolarHBondContact O-N 3.16Å; F234-C237 WeakPolarHBondContact O-CB 3.29Å; F234-C237 PolarHBondContact O-N 3.06Å; F234-A238 WeakPolarHBondContact O-CB 3.5Å; F234-A238 PolarHBondContact O-N 3.45Å; F234-V294 HydrophobicContact CD1-CG1 4.11Å; F234-V294 HydrophobicContact CE1-CG1 4Å; F234-F297 HydrophobicContact CD1-CD1 4.29Å; F234-F297 AromaticContact CE1-CD1 3.64Å; F234-F297 HydrophobicContact CE1-CD1 3.64Å; F234-F297 HydrophobicContact CE1-CE1 4.43Å; F234-F297 HydrophobicContact CE2-CD1 4.05Å; F234-F297 HydrophobicContact CE2-CE1 4.06Å; F234-F297 AromaticContact CZ-CD1 3.51Å; F234-F297 HydrophobicContact CZ-CD1 3.51Å; F234-F297 AromaticContact CZ-CE1 3.98Å; F234-F297 HydrophobicContact CZ-CE1 3.98Å; F234-W298 HydrophobicContact CZ-CB 4.35Å; F234-L301 HydrophobicContact CE2-CD1 3.87Å; F234-L301 HydrophobicContact CZ-CD1 3.97Å; F234-A315 HydrophobicContact CB-CB 3.8Å; F234-L316 HydrophobicContact CD1-CB 4.43Å; F234-L316 HydrophobicContact CD1-CD1 4.01Å; F234-L316 HydrophobicContact CD2-CB 4.19Å; F234-L316 HydrophobicContact CE1-CB 4.49Å; F234-L316 HydrophobicContact CE1-CD1 3.61Å; F234-L316 HydrophobicContact CE2-CB 4.24Å; F234-L316 HydrophobicContact CG-CB 4.29Å; F234-L316 HydrophobicContact CZ-CB 4.39Å; F234-L316 HydrophobicContact CZ-CD1 3.94Å
235	R	92.4	Very high	89.3	Confident	77 Å²	77	20 Å²	20	29%	0.291	10%	0.102	S	C	.	.	H	α-helix	trans	-61.6	-39.8	173.7	-171	172	65.9	79.5	-7.5	112.2	D200 A203 S231 R232 L233 A238 E239	D200-R235 PolarHBondContact O-NH2 3.11Å; D200-R235 IonicContact OD1-CZ 3.25Å; D200-R235 IonicContact OD1-NH2 2.66Å; D200-R235 PolarHBondContact OD1-NH2 2.93Å; A203-R235 HydrophobicContact CB-CB 4.38Å; A203-R235 HydrophobicContact CB-CG 4.3Å; A203-R235 PolarHBondContact O-NH1 3.2Å; S231-R235 VanDerWaalsContact O-CB 3.26Å; S231-R235 WeakPolarHBondContact O-CB 3.34Å; S231-R235 PolarHBondContact O-N 2.97Å; R232-R235 PolarHBondContact O-N 2.87Å; L233-R235 VanDerWaalsContact C-N 3.32Å; L233-R235 PolarHBondContact O-N 2.86Å; R235-A238 WeakPolarHBondContact O-CB 3.42Å; R235-A238 PolarHBondContact O-N 3.16Å; R235-E239 PolarHBondContact O-N 3.33Å
236	A	92.3	Very high	88.7	Confident	1 Å²	1	25.1 Å²	25.1	1%	0.008	12%	0.116	C	C	.	.	H	α-helix	trans	-62.8	-42.4	174.2	0	0	0	0	0	112.2	A203 A211 R232 L233 F234 E239 D240	A203-A236 HydrophobicContact CB-CB 3.77Å; A211-A236 HydrophobicContact CB-CB 3.94Å; R232-A236 WeakPolarHBondContact O-CB 3.17Å; R232-A236 PolarHBondContact O-N 3Å; L233-A236 WeakPolarHBondContact O-CB 3.27Å; L233-A236 PolarHBondContact O-N 2.91Å; F234-A236 VanDerWaalsContact C-N 3.33Å; F234-A236 PolarHBondContact O-N 3.16Å; A236-E239 PolarHBondContact O-N 3.26Å; A236-D240 WeakPolarHBondContact O-CB 3.5Å; A236-D240 PolarHBondContact O-N 3.45Å
237	C	93.3	Very high	87.9	Confident	0 Å²	0	32 Å²	32	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63.2	-44	172.9	-65.3	0	0	0	0	112.1	L233 F234 E239 D240 I241 V294	L233-C237 PolarHBondContact O-N 2.85Å; L233-C237 PolarHBondContact O-SG 3.45Å; F234-C237 WeakPolarHBondContact O-CB 3.29Å; F234-C237 PolarHBondContact O-N 3.06Å; C237-E239 VanDerWaalsContact C-N 3.27Å; C237-E239 PolarHBondContact O-N 3.23Å; C237-D240 PolarHBondContact O-N 3.2Å; C237-I241 WeakPolarHBondContact O-CB 3.41Å; C237-I241 WeakPolarHBondContact O-CD1 3.47Å; C237-I241 WeakPolarHBondContact O-CG1 3.46Å; C237-I241 PolarHBondContact O-N 3.18Å; C237-V294 HydrophobicContact CB-CG2 3.33Å
238	A	91.6	Very high	87.1	Confident	1 Å²	1	31 Å²	31	1%	0.008	13%	0.134	C	C	.	.	H	α-helix	trans	-57.8	-43.4	178.3	0	0	0	0	0	110.9	F234 R235 A242 L318 A319 K322	F234-A238 WeakPolarHBondContact O-CB 3.5Å; F234-A238 PolarHBondContact O-N 3.45Å; R235-A238 WeakPolarHBondContact O-CB 3.42Å; R235-A238 PolarHBondContact O-N 3.16Å; A238-A242 PolarHBondContact O-N 2.95Å; A238-A242 VanDerWaalsContact O-N 3.08Å; A238-L318 HydrophobicContact CB-CD2 4.29Å; A238-L318 HydrophobicContact CB-CG 4.2Å; A238-A319 HydrophobicContact CB-CB 3.89Å; A238-K322 HydrophobicContact CB-CD 4.04Å; A238-K322 WeakPolarHBondContact O-CD 3.23Å
239	E	90.6	Very high	86.1	Confident	26 Å²	26	35.7 Å²	35.7	12%	0.121	15%	0.148	C	C	.	.	H	α-helix	trans	-73.6	-36.4	177.7	-165.1	52.2	-140.2	0	0	112.9	A203 R235 A236 C237 I241 A242 T243 R246 K322	A203-E239 VanDerWaalsContact O-CB 3.28Å; A203-E239 WeakPolarHBondContact O-CB 3.35Å; R235-E239 PolarHBondContact O-N 3.33Å; A236-E239 PolarHBondContact O-N 3.26Å; C237-E239 VanDerWaalsContact C-N 3.27Å; C237-E239 PolarHBondContact O-N 3.23Å; E239-I241 VanDerWaalsContact C-N 3.34Å; E239-I241 PolarHBondContact O-N 3.41Å; E239-A242 CarbonylContact O-C 3.56Å; E239-A242 WeakPolarHBondContact O-CB 3.3Å; E239-A242 PolarHBondContact O-N 3.26Å; E239-A242 VanDerWaalsContact O-N 3.12Å; E239-T243 VanDerWaalsContact O-CG2 3.23Å; E239-T243 WeakPolarHBondContact O-CG2 3.4Å; E239-T243 PolarHBondContact O-N 3.43Å; E239-R246 IonicContact OE1-CZ 3.97Å; E239-R246 IonicContact OE1-NH2 3.29Å; E239-R246 PolarHBondContact OE1-NH2 3.26Å; E239-K322 IonicContact OE2-NZ 3.09Å; E239-K322 PolarHBondContact OE2-NZ 3.07Å
240	D	89	Confident	84.8	Confident	25 Å²	25	38.5 Å²	38.5	13%	0.134	17%	0.165	C	C	.	.	H	α-helix	trans	-58.6	-46.6	172.5	-165.5	-8	0	0	0	111.1	G206 S208 A236 C237 A242 T243 W244 A290	G206-D240 WeakPolarHBondContact O-CA 3.42Å; G206-D240 WeakPolarHBondContact O-CB 3.48Å; S208-D240 WeakPolarHBondContact CB-OD2 3.5Å; S208-D240 PolarHBondContact N-OD2 3.41Å; S208-D240 PolarHBondContact OG-OD2 3.34Å; A236-D240 WeakPolarHBondContact O-CB 3.5Å; A236-D240 PolarHBondContact O-N 3.45Å; C237-D240 PolarHBondContact O-N 3.2Å; D240-A242 VanDerWaalsContact C-N 3.32Å; D240-A242 PolarHBondContact O-N 3.18Å; D240-T243 PolarHBondContact O-N 3.39Å; D240-T243 VanDerWaalsContact O-N 3.09Å; D240-T243 PolarHBondContact O-OG1 3.41Å; D240-W244 PolarHBondContact O-N 2.77Å; D240-A290 HydrophobicContact CB-CB 3.9Å
241	I	88.5	Confident	83.2	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-56.8	-46.1	173.8	-66.3	159.9	0	0	0	110.3	C237 E239 T243 W244 F245 A290 A319 K322 A323	C237-I241 WeakPolarHBondContact O-CB 3.41Å; C237-I241 WeakPolarHBondContact O-CD1 3.47Å; C237-I241 WeakPolarHBondContact O-CG1 3.46Å; C237-I241 PolarHBondContact O-N 3.18Å; E239-I241 VanDerWaalsContact C-N 3.34Å; E239-I241 PolarHBondContact O-N 3.41Å; I241-T243 VanDerWaalsContact C-N 3.35Å; I241-T243 PolarHBondContact O-N 3.35Å; I241-W244 WeakPolarHBondContact O-CB 3.29Å; I241-W244 PolarHBondContact O-N 2.82Å; I241-F245 HydrophobicContact CG2-CD2 3.81Å; I241-F245 HydrophobicContact CG2-CE2 3.52Å; I241-F245 WeakPolarHBondContact O-CD2 3.4Å; I241-F245 PolarHBondContact O-N 2.7Å; I241-A290 HydrophobicContact CD1-CB 4.4Å; I241-A290 HydrophobicContact CG1-CB 3.73Å; I241-A319 WeakPolarHBondContact CD1-O 3.43Å; I241-K322 HydrophobicContact CB-CB 4.48Å; I241-K322 HydrophobicContact CG2-CB 3.96Å; I241-A323 HydrophobicContact CD1-CB 4.24Å; I241-A323 HydrophobicContact CG2-CB 4.2Å
242	A	85.9	Confident	82	Confident	9 Å²	9	39.6 Å²	39.6	7%	0.074	17%	0.17	C	C	.	.	H	α-helix	trans	-61.3	-40.5	176.1	0	0	0	0	0	112.8	A238 E239 D240 W244 F245 R246 K322	A238-A242 PolarHBondContact O-N 2.95Å; A238-A242 VanDerWaalsContact O-N 3.08Å; E239-A242 CarbonylContact O-C 3.56Å; E239-A242 WeakPolarHBondContact O-CB 3.3Å; E239-A242 PolarHBondContact O-N 3.26Å; E239-A242 VanDerWaalsContact O-N 3.12Å; D240-A242 VanDerWaalsContact C-N 3.32Å; D240-A242 PolarHBondContact O-N 3.18Å; A242-W244 VanDerWaalsContact C-N 3.33Å; A242-F245 PolarHBondContact O-N 3.07Å; A242-R246 WeakPolarHBondContact O-CG 3.23Å; A242-R246 PolarHBondContact O-N 3.15Å; A242-K322 HydrophobicContact CB-CD 4.14Å
243	T	84	Confident	80.6	Confident	14 Å²	14	37.5 Å²	37.5	9%	0.086	16%	0.163	C	C	.	.	H	α-helix	trans	-65.6	-38.8	176.3	73.8	0	0	0	0	111.4	V205 E239 D240 I241 F245 R246 R247	V205-T243 WeakPolarHBondContact O-CG2 3.35Å; E239-T243 VanDerWaalsContact O-CG2 3.23Å; E239-T243 WeakPolarHBondContact O-CG2 3.4Å; E239-T243 PolarHBondContact O-N 3.43Å; D240-T243 PolarHBondContact O-N 3.39Å; D240-T243 VanDerWaalsContact O-N 3.09Å; D240-T243 PolarHBondContact O-OG1 3.41Å; I241-T243 VanDerWaalsContact C-N 3.35Å; I241-T243 PolarHBondContact O-N 3.35Å; T243-F245 VanDerWaalsContact C-N 3.33Å; T243-F245 PolarHBondContact O-N 2.9Å; T243-R246 PolarHBondContact O-N 2.82Å; T243-R247 WeakPolarHBondContact O-CG 3.37Å; T243-R247 PolarHBondContact O-N 3.04Å
244	W	82.9	Confident	79.2	Confident	31 Å²	31	39.5 Å²	39.5	12%	0.117	18%	0.176	C	C	.	.	H	α-helix	trans	-60.3	-43.1	173.6	178	100.9	0	0	0	111	D240 I241 A242 R246 R247 N248 M281 N285 F286 G287	D240-W244 PolarHBondContact O-N 2.77Å; I241-W244 WeakPolarHBondContact O-CB 3.29Å; I241-W244 PolarHBondContact O-N 2.82Å; A242-W244 VanDerWaalsContact C-N 3.33Å; W244-R246 PolarHBondContact O-N 3.36Å; W244-R247 PolarHBondContact O-N 2.68Å; W244-N248 PolarHBondContact NE1-ND2 3.15Å; W244-N248 VanDerWaalsContact NE1-ND2 3.14Å; W244-N248 WeakPolarHBondContact O-CB 3.46Å; W244-N248 PolarHBondContact O-N 3.25Å; W244-M281 HydrophobicContact CH2-CE 4.21Å; W244-M281 HydrophobicContact CZ2-CE 3.14Å; W244-N285 VanDerWaalsContact CZ2-O 3.31Å; W244-N285 WeakPolarHBondContact CZ2-O 3.11Å; W244-F286 AromaticContact CH2-CD2 3.98Å; W244-F286 HydrophobicContact CH2-CD2 3.98Å; W244-F286 HydrophobicContact CH2-CE2 4.49Å; W244-F286 HydrophobicContact CH2-CG 4.37Å; W244-F286 HydrophobicContact CZ3-CD2 4.37Å; W244-G287 VanDerWaalsContact CH2-N 3.34Å
245	F	79.5	Confident	77.6	Confident	16 Å²	16	41 Å²	41	7%	0.07	19%	0.185	C	C	.	.	H	α-helix	trans	-61.8	-44.4	174.2	-85	-72.7	0	0	0	112	I241 A242 T243 R247 N248 R249 I252 F286 K322 P373	I241-F245 HydrophobicContact CG2-CD2 3.81Å; I241-F245 HydrophobicContact CG2-CE2 3.52Å; I241-F245 WeakPolarHBondContact O-CD2 3.4Å; I241-F245 PolarHBondContact O-N 2.7Å; A242-F245 PolarHBondContact O-N 3.07Å; T243-F245 VanDerWaalsContact C-N 3.33Å; T243-F245 PolarHBondContact O-N 2.9Å; F245-R247 VanDerWaalsContact C-N 3.31Å; F245-R247 PolarHBondContact O-N 3.07Å; F245-N248 CarbonylContact O-C 3.59Å; F245-N248 PolarHBondContact O-N 2.88Å; F245-R249 WeakPolarHBondContact O-CA 3.17Å; F245-R249 VanDerWaalsContact O-CB 3.28Å; F245-R249 WeakPolarHBondContact O-CB 3.41Å; F245-R249 PolarHBondContact O-N 3.36Å; F245-I252 HydrophobicContact CD1-CD1 4.36Å; F245-F286 AromaticContact CE1-CE1 3.8Å; F245-F286 HydrophobicContact CE1-CE1 3.8Å; F245-F286 AromaticContact CE1-CE2 3.8Å; F245-F286 HydrophobicContact CE1-CE2 3.8Å; F245-F286 AromaticContact CE1-CZ 3.3Å; F245-F286 HydrophobicContact CE1-CZ 3.3Å; F245-F286 HydrophobicContact CZ-CD1 4.05Å; F245-F286 AromaticContact CZ-CE1 3.35Å; F245-F286 HydrophobicContact CZ-CE1 3.35Å; F245-F286 HydrophobicContact CZ-CE2 4.15Å; F245-F286 AromaticContact CZ-CZ 3.41Å; F245-F286 HydrophobicContact CZ-CZ 3.41Å; F245-F286 VanDerWaalsContact CZ-CZ 3.41Å; F245-K322 WeakPolarHBondContact CE2-O 3.34Å; F245-K322 WeakPolarHBondContact CZ-O 3.33Å; F245-P373 HydrophobicContact CE1-CB 4.32Å; F245-P373 HydrophobicContact CZ-CB 3.96Å
246	R	76.3	Confident	76	Confident	132 Å²	132	37.9 Å²	37.9	50%	0.498	17%	0.174	S	C	.	.	H	α-helix	trans	-60	-41.6	178.6	-73.3	-175.2	-81.9	178	-3.1	111.8	E239 A242 T243 W244	E239-R246 IonicContact OE1-CZ 3.97Å; E239-R246 IonicContact OE1-NH2 3.29Å; E239-R246 PolarHBondContact OE1-NH2 3.26Å; A242-R246 WeakPolarHBondContact O-CG 3.23Å; A242-R246 PolarHBondContact O-N 3.15Å; T243-R246 PolarHBondContact O-N 2.82Å; W244-R246 PolarHBondContact O-N 3.36Å
247	R	71.4	Confident	74.3	Confident	180 Å²	180	42 Å²	42	68%	0.679	20%	0.196	S	C	*	.	H	α-helix	trans	-68.5	-43.4	176.9	-70.1	176.3	-177.9	147	2.7	112.7	T243 W244 F245	T243-R247 WeakPolarHBondContact O-CG 3.37Å; T243-R247 PolarHBondContact O-N 3.04Å; W244-R247 PolarHBondContact O-N 2.68Å; F245-R247 VanDerWaalsContact C-N 3.31Å; F245-R247 PolarHBondContact O-N 3.07Å
248	N	70.4	Confident	72.3	Confident	28 Å²	28	48.1 Å²	48.1	15%	0.15	22%	0.219	C	C	.	.	H	α-helix	trans	-91.6	1	-175.9	-66.9	-32.9	0	0	0	113.9	W244 F245 T250 L251 I252	W244-N248 PolarHBondContact NE1-ND2 3.15Å; W244-N248 VanDerWaalsContact NE1-ND2 3.14Å; W244-N248 WeakPolarHBondContact O-CB 3.46Å; W244-N248 PolarHBondContact O-N 3.25Å; F245-N248 CarbonylContact O-C 3.59Å; F245-N248 PolarHBondContact O-N 2.88Å; N248-T250 PolarHBondContact O-N 3.38Å; N248-L251 HydrophobicContact CB-CD1 4.5Å; N248-L251 WeakPolarHBondContact O-CB 3.05Å; N248-L251 PolarHBondContact O-N 2.97Å; N248-L251 WeakPolarHBondContact OD1-CD1 3.19Å; N248-I252 PolarHBondContact O-N 3.09Å
249	R	67.1	Low	70.2	Confident	119 Å²	119	50.9 Å²	50.9	45%	0.449	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-27.5	179.4	-177.2	174.4	175.3	173.1	0.5	112.3	L99 F245 R786	L99-R249 PolarHBondContact O-NH1 2.92Å; L99-R249 VanDerWaalsContact O-NH1 3.14Å; F245-R249 WeakPolarHBondContact O-CA 3.17Å; F245-R249 VanDerWaalsContact O-CB 3.28Å; F245-R249 WeakPolarHBondContact O-CB 3.41Å; F245-R249 PolarHBondContact O-N 3.36Å; R249-R786 PolarHBondContact O-NH1 3.2Å; R249-R786 PolarHBondContact O-NH2 3.33Å
250	T	61.8	Low	68.1	Low	58 Å²	58	56.5 Å²	56.5	36%	0.356	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-11.4	176.4	55.1	0	0	0	0	114.2	N248 R786	N248-T250 PolarHBondContact O-N 3.38Å; T250-R786 VanDerWaalsContact C-NE 3.3Å; T250-R786 VanDerWaalsContact O-CD 3.24Å; T250-R786 WeakPolarHBondContact O-CD 3.38Å; T250-R786 WeakPolarHBondContact O-CG 3.42Å; T250-R786 PolarHBondContact O-NE 2.9Å; T250-R786 PolarHBondContact O-NH2 3.13Å
251	L	57.5	Low	66.1	Low	39 Å²	39	60.6 Å²	60.6	20%	0.204	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-19.5	178.3	-71.3	152.4	0	0	0	112.2	N248 L277 P279	N248-L251 HydrophobicContact CB-CD1 4.5Å; N248-L251 WeakPolarHBondContact O-CB 3.05Å; N248-L251 PolarHBondContact O-N 2.97Å; N248-L251 WeakPolarHBondContact OD1-CD1 3.19Å; L251-L277 VanDerWaalsContact O-O 3.09Å; L251-P279 HydrophobicContact CB-CB 4.27Å; L251-P279 HydrophobicContact CD2-CB 4.27Å
252	I	66.6	Low	64	Low	21 Å²	21	65.7 Å²	65.7	11%	0.108	31%	0.307	C	S	.	.	S	Bend	trans	-65.2	125.5	179.3	-61.8	169.8	0	0	0	110.2	F245 N248 M376 R786	F245-I252 HydrophobicContact CD1-CD1 4.36Å; N248-I252 PolarHBondContact O-N 3.09Å; I252-M376 HydrophobicContact CD1-SD 3.97Å; I252-M376 HydrophobicContact CG2-CB 4.37Å; I252-R786 PolarHBondContact O-NH2 3Å
253	P	62.1	Low	62.4	Low	8 Å²	8	69.8 Å²	69.8	5%	0.052	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-67.8	149.4	-179.9	22.3	-29	0	0	0	112.3	Q274 C383	P253-Q274 HydrophobicContact CB-CB 4.2Å; P253-Q274 HydrophobicContact CB-CG 3.82Å; P253-C383 HydrophobicContact CG-CB 4.46Å; P253-C383 WeakPolarHBondContact CG-SG 3.16Å
254	P	64.4	Low	61.5	Low	43 Å²	43	71 Å²	71	28%	0.279	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-69.9	146.6	173.7	29.9	-34.1	0	0	0	111.4	V256 L273	P254-V256 PolarHBondContact O-N 2.93Å; P254-L273 HydrophobicContact CG-CB 4.41Å
255	V	62.2	Low	60.8	Low	32 Å²	32	69.9 Å²	69.9	19%	0.194	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-63.1	127.3	172.5	-174.2	0	0	0	0	110.5	M270 N379 K439 D441	V255-M270 WeakPolarHBondContact O-CE 3.32Å; V255-N379 WeakPolarHBondContact CG2-ND2 3.17Å; V255-K439 HydrophobicContact CB-CB 4.48Å; V255-K439 HydrophobicContact CG1-CB 4.37Å; V255-D441 WeakPolarHBondContact CG1-OD1 3.47Å; V255-D441 WeakPolarHBondContact CG2-OD1 2.79Å
256	V	57.7	Low	60.2	Low	12 Å²	12	73.7 Å²	73.7	7%	0.073	36%	0.361	C	S	.	.			trans	-116.7	112	174.4	-170.5	0	0	0	0	110.2	P254 Q267 M270 L271	P254-V256 PolarHBondContact O-N 2.93Å; V256-Q267 HydrophobicContact CG1-CG 3.93Å; V256-M270 HydrophobicContact CG1-CB 4.5Å; V256-M270 HydrophobicContact CG2-CB 3.82Å; V256-M270 HydrophobicContact CG2-CE 4.43Å; V256-L271 HydrophobicContact CB-CD2 4.18Å; V256-L271 HydrophobicContact CG1-CD2 3.85Å; V256-L271 HydrophobicContact CG1-CG 4.04Å; V256-L271 HydrophobicContact CG2-CD2 4.24Å
257	I	57.5	Low	59.7	Low	89 Å²	89	68 Å²	68	46%	0.456	34%	0.34	S	S	.	.			trans	-76.4	132.6	173	-58.3	168.2	0	0	0	108.6	T259 Q267	I257-T259 PolarHBondContact O-N 3.25Å; I257-Q267 PolarHBondContact O-NE2 3.44Å
258	R	50.5	Low	59.7	Low	128 Å²	128	63.7 Å²	63.7	48%	0.483	32%	0.324	S	S	.	.			trans	-78	92.8	166	-74.8	-172	175.2	-178.9	-0.3	108.1	A445	R258-A445 HydrophobicContact CB-CB 4.16Å
259	T	49.2	Very low	59.9	Low	59 Å²	59	63 Å²	63	36%	0.362	32%	0.319	S	S	.	.			trans	-78.4	137.7	151.8	52.6	0	0	0	0	107.1	I257 N261 H262 Q267	I257-T259 PolarHBondContact O-N 3.25Å; T259-N261 CarbonylContact O-C 3.6Å; T259-N261 PolarHBondContact O-N 3.32Å; T259-H262 PolarHBondContact O-N 3.22Å; T259-Q267 PolarHBondContact OG1-OE1 3.03Å
260	E	44.8	Very low	60	Low	143 Å²	143	59.5 Å²	59.5	67%	0.668	31%	0.309	S	S	*	.	S	Bend	trans	-51.1	-22.6	174.5	-63.4	-174.2	161.1	0	0	112.3	H262	E260-H262 PolarHBondContact O-N 3.03Å
261	N	47.9	Very low	60.4	Low	112 Å²	112	59.4 Å²	59.4	60%	0.599	31%	0.306	S	S	*	.			trans	-72.5	61.5	167.3	-62.8	-19.1	0	0	0	113.1	T259 S263 S264 Q267	T259-N261 CarbonylContact O-C 3.6Å; T259-N261 PolarHBondContact O-N 3.32Å; N261-S263 PolarHBondContact O-N 2.72Å; N261-S264 PolarHBondContact O-N 3.45Å; N261-Q267 PolarHBondContact O-OE1 3.23Å
262	H	45.1	Very low	60.9	Low	107 Å²	107	59.1 Å²	59.1	50%	0.495	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-8.7	165.6	-71.9	-57	0	0	0	113.9	T259 E260	T259-H262 PolarHBondContact O-N 3.22Å; E260-H262 PolarHBondContact O-N 3.03Å
263	S	51.7	Low	61.1	Low	95 Å²	95	59.3 Å²	59.3	66%	0.664	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-22.2	-178.8	56.5	0	0	0	0	114.3	N261 L265	N261-S263 PolarHBondContact O-N 2.72Å; S263-L265 PolarHBondContact O-N 3.44Å
264	S	65.7	Low	61.4	Low	38 Å²	38	59.4 Å²	59.4	27%	0.266	31%	0.31	S	S	.	.			trans	-69.5	121.7	-178.7	73.2	0	0	0	0	110.8	N261 L266 Q267 R268	N261-S264 PolarHBondContact O-N 3.45Å; S264-L266 PolarHBondContact O-N 3.36Å; S264-L266 VanDerWaalsContact O-N 3.13Å; S264-Q267 WeakPolarHBondContact O-CB 3.44Å; S264-Q267 PolarHBondContact O-N 3.07Å; S264-Q267 VanDerWaalsContact OG-CB 3.27Å; S264-Q267 WeakPolarHBondContact OG-CB 3.47Å; S264-Q267 PolarHBondContact OG-N 3.21Å; S264-R268 PolarHBondContact O-N 2.86Å
265	L	67.2	Low	61.6	Low	9 Å²	9	64 Å²	64	5%	0.047	33%	0.326	C	S	.	.	H	α-helix	trans	-58.6	-26.8	176.6	-85.3	157.8	0	0	0	111.7	S263 R268 K269 L797 L801 T819 G820 F822	S263-L265 PolarHBondContact O-N 3.44Å; L265-R268 PolarHBondContact O-N 3.29Å; L265-K269 WeakPolarHBondContact O-CB 3.28Å; L265-K269 PolarHBondContact O-N 3.44Å; L265-L797 HydrophobicContact CD2-CD2 3.89Å; L265-L801 HydrophobicContact CD1-CD1 3.69Å; L265-L801 HydrophobicContact CD1-CD2 3.93Å; L265-L801 HydrophobicContact CD1-CG 4.32Å; L265-L801 HydrophobicContact CD2-CD1 4.48Å; L265-T819 WeakPolarHBondContact CD1-O 3.33Å; L265-G820 PolarHBondContact N-O 2.74Å; L265-F822 HydrophobicContact CB-CD2 3.67Å; L265-F822 HydrophobicContact CB-CE2 3.61Å; L265-F822 HydrophobicContact CD1-CD2 4.49Å
266	L	67.2	Low	61.7	Low	96 Å²	96	63.8 Å²	63.8	50%	0.503	33%	0.327	S	S	.	.	H	α-helix	trans	-61.5	-45	173	-172.9	67.3	0	0	0	111.9	S264 R268 K269 M270 F822	S264-L266 PolarHBondContact O-N 3.36Å; S264-L266 VanDerWaalsContact O-N 3.13Å; L266-R268 VanDerWaalsContact C-N 3.34Å; L266-R268 PolarHBondContact O-N 3.42Å; L266-K269 WeakPolarHBondContact O-CB 3.47Å; L266-K269 PolarHBondContact O-N 3.02Å; L266-M270 WeakPolarHBondContact O-CG 3.11Å; L266-M270 PolarHBondContact O-N 2.96Å; L266-F822 HydrophobicContact CD1-CZ 4.31Å
267	Q	66.2	Low	62	Low	12 Å²	12	63.4 Å²	63.4	6%	0.056	33%	0.325	C	S	.	.	H	α-helix	trans	-65.9	-38.6	176.9	-166.6	179.1	10.1	0	0	111	V256 I257 T259 N261 S264 M270 L271	V256-Q267 HydrophobicContact CG1-CG 3.93Å; I257-Q267 PolarHBondContact O-NE2 3.44Å; T259-Q267 PolarHBondContact OG1-OE1 3.03Å; N261-Q267 PolarHBondContact O-OE1 3.23Å; S264-Q267 WeakPolarHBondContact O-CB 3.44Å; S264-Q267 PolarHBondContact O-N 3.07Å; S264-Q267 VanDerWaalsContact OG-CB 3.27Å; S264-Q267 WeakPolarHBondContact OG-CB 3.47Å; S264-Q267 PolarHBondContact OG-N 3.21Å; Q267-M270 PolarHBondContact O-N 3.43Å; Q267-L271 WeakPolarHBondContact O-CG 3.4Å; Q267-L271 PolarHBondContact O-N 3.43Å
268	R	70.9	Confident	62.1	Low	89 Å²	89	60 Å²	60	34%	0.336	31%	0.31	S	S	.	.	H	α-helix	trans	-62.4	-42.7	172.3	-65.6	-176.8	65.4	-159.9	-3.9	112.4	S264 L265 L266 M270 L271 A272 L797 E800	S264-R268 PolarHBondContact O-N 2.86Å; L265-R268 PolarHBondContact O-N 3.29Å; L266-R268 VanDerWaalsContact C-N 3.34Å; L266-R268 PolarHBondContact O-N 3.42Å; R268-M270 VanDerWaalsContact C-N 3.33Å; R268-M270 PolarHBondContact O-N 3.37Å; R268-L271 PolarHBondContact O-N 3.22Å; R268-A272 WeakPolarHBondContact O-CB 3.26Å; R268-A272 PolarHBondContact O-N 3.01Å; R268-L797 HydrophobicContact CB-CD2 4.44Å; R268-E800 IonicContact CZ-OE1 2.98Å; R268-E800 IonicContact CZ-OE2 3.14Å; R268-E800 IonicContact NH1-OE1 2.7Å; R268-E800 PolarHBondContact NH1-OE1 2.87Å; R268-E800 IonicContact NH1-OE2 2.66Å; R268-E800 PolarHBondContact NH1-OE2 3.45Å; R268-E800 VanDerWaalsContact NH2-CD 3.33Å; R268-E800 IonicContact NH2-OE1 3.19Å; R268-E800 PolarHBondContact NH2-OE1 3.11Å; R268-E800 IonicContact NH2-OE2 2.68Å; R268-E800 PolarHBondContact NH2-OE2 2.88Å
269	K	75.1	Confident	62.4	Low	13 Å²	13	54.6 Å²	54.6	6%	0.057	29%	0.291	C	S	.	.	H	α-helix	trans	-58.1	-45.9	173.1	177.5	174.8	178.1	166.6	0	111.1	L265 L266 A272 L273 S732 S790 I793 D794 L797 F822	L265-K269 WeakPolarHBondContact O-CB 3.28Å; L265-K269 PolarHBondContact O-N 3.44Å; L266-K269 WeakPolarHBondContact O-CB 3.47Å; L266-K269 PolarHBondContact O-N 3.02Å; K269-A272 PolarHBondContact O-N 2.89Å; K269-L273 HydrophobicContact CG-CD1 4.23Å; K269-L273 WeakPolarHBondContact O-CB 3.4Å; K269-L273 WeakPolarHBondContact O-CG 3.22Å; K269-L273 PolarHBondContact O-N 2.87Å; K269-S732 PolarHBondContact NZ-O 3.27Å; K269-S790 WeakPolarHBondContact CE-OG 3.23Å; K269-S790 PolarHBondContact NZ-OG 3.43Å; K269-I793 HydrophobicContact CB-CG2 4.25Å; K269-I793 HydrophobicContact CG-CG2 3.9Å; K269-D794 VanDerWaalsContact CD-OD1 3.3Å; K269-D794 WeakPolarHBondContact CD-OD1 3.36Å; K269-D794 WeakPolarHBondContact CE-OD1 3.41Å; K269-D794 VanDerWaalsContact NZ-CG 3.29Å; K269-D794 IonicContact NZ-OD1 2.78Å; K269-D794 PolarHBondContact NZ-OD1 3.31Å; K269-D794 IonicContact NZ-OD2 3.35Å; K269-D794 PolarHBondContact NZ-OD2 3.5Å; K269-D794 VanDerWaalsContact NZ-OD2 3.07Å; K269-L797 HydrophobicContact CB-CD1 3.76Å; K269-L797 HydrophobicContact CG-CD1 4.48Å; K269-F822 HydrophobicContact CD-CZ 3.96Å
270	M	68.4	Low	62.6	Low	47 Å²	47	57.4 Å²	57.4	23%	0.232	30%	0.304	C	S	.	.	H	α-helix	trans	-65.6	-41	179.4	-68.1	179.1	68.2	0	0	112.4	V255 V256 L266 Q267 R268 L273 Q274	V255-M270 WeakPolarHBondContact O-CE 3.32Å; V256-M270 HydrophobicContact CG1-CB 4.5Å; V256-M270 HydrophobicContact CG2-CB 3.82Å; V256-M270 HydrophobicContact CG2-CE 4.43Å; L266-M270 WeakPolarHBondContact O-CG 3.11Å; L266-M270 PolarHBondContact O-N 2.96Å; Q267-M270 PolarHBondContact O-N 3.43Å; R268-M270 VanDerWaalsContact C-N 3.33Å; R268-M270 PolarHBondContact O-N 3.37Å; M270-L273 PolarHBondContact O-N 3.29Å; M270-Q274 WeakPolarHBondContact O-CB 3.47Å; M270-Q274 PolarHBondContact O-N 2.82Å
271	L	70.2	Confident	63.3	Low	55 Å²	55	52.4 Å²	52.4	29%	0.288	28%	0.281	S	S	.	.	H	α-helix	trans	-64.2	-40.9	173.9	-72.3	171.9	0	0	0	112.3	V256 Q267 R268 L273 Q274 K275	V256-L271 HydrophobicContact CB-CD2 4.18Å; V256-L271 HydrophobicContact CG1-CD2 3.85Å; V256-L271 HydrophobicContact CG1-CG 4.04Å; V256-L271 HydrophobicContact CG2-CD2 4.24Å; Q267-L271 WeakPolarHBondContact O-CG 3.4Å; Q267-L271 PolarHBondContact O-N 3.43Å; R268-L271 PolarHBondContact O-N 3.22Å; L271-L273 VanDerWaalsContact C-N 3.35Å; L271-Q274 WeakPolarHBondContact O-CB 3.46Å; L271-Q274 PolarHBondContact O-N 2.81Å; L271-K275 WeakPolarHBondContact O-CG 3.34Å; L271-K275 PolarHBondContact O-N 3.06Å
272	A	69.1	Low	64.2	Low	33 Å²	33	49.5 Å²	49.5	27%	0.273	27%	0.269	S	S	.	.	H	α-helix	trans	-66.4	-39.3	175.8	0	0	0	0	0	111.3	R268 K269 Q274 K275 A276 I793	R268-A272 WeakPolarHBondContact O-CB 3.26Å; R268-A272 PolarHBondContact O-N 3.01Å; K269-A272 PolarHBondContact O-N 2.89Å; A272-Q274 VanDerWaalsContact C-N 3.34Å; A272-K275 PolarHBondContact O-N 2.8Å; A272-A276 WeakPolarHBondContact O-CB 3.14Å; A272-A276 PolarHBondContact O-N 2.67Å; A272-I793 HydrophobicContact CB-CB 4.48Å; A272-I793 HydrophobicContact CB-CD1 3.74Å; A272-I793 HydrophobicContact CB-CG1 3.85Å; A272-I793 HydrophobicContact CB-CG2 3.77Å
273	L	69.8	Low	65	Low	26 Å²	26	45.8 Å²	45.8	14%	0.136	26%	0.255	C	S	.	.	H	α-helix	trans	-63	-43	174.6	-86.3	171.7	0	0	0	110.9	P254 K269 M270 L271 K275 A276 L277 A789 I793	P254-L273 HydrophobicContact CG-CB 4.41Å; K269-L273 HydrophobicContact CG-CD1 4.23Å; K269-L273 WeakPolarHBondContact O-CB 3.4Å; K269-L273 WeakPolarHBondContact O-CG 3.22Å; K269-L273 PolarHBondContact O-N 2.87Å; M270-L273 PolarHBondContact O-N 3.29Å; L271-L273 VanDerWaalsContact C-N 3.35Å; L273-K275 VanDerWaalsContact C-N 3.32Å; L273-K275 PolarHBondContact O-N 3.43Å; L273-A276 PolarHBondContact O-N 2.91Å; L273-L277 HydrophobicContact CD2-CD1 4.35Å; L273-L277 WeakPolarHBondContact O-CB 3.22Å; L273-L277 VanDerWaalsContact O-CG 3.25Å; L273-L277 WeakPolarHBondContact O-CG 3.39Å; L273-L277 PolarHBondContact O-N 3.24Å; L273-A789 HydrophobicContact CD2-CB 4.23Å; L273-I793 VanDerWaalsContact CA-CD1 3.47Å; L273-I793 HydrophobicContact CB-CD1 4.06Å; L273-I793 HydrophobicContact CD2-CD1 3.64Å; L273-I793 HydrophobicContact CG-CD1 3.54Å
274	Q	69.6	Low	65.6	Low	9 Å²	9	46 Å²	46	4%	0.042	25%	0.249	C	C	.	.	H	α-helix	trans	-57.1	-44.1	174.3	179.2	177.1	28.1	0	0	111.4	P253 M270 L271 A272 A278 C383	P253-Q274 HydrophobicContact CB-CB 4.2Å; P253-Q274 HydrophobicContact CB-CG 3.82Å; M270-Q274 WeakPolarHBondContact O-CB 3.47Å; M270-Q274 PolarHBondContact O-N 2.82Å; L271-Q274 WeakPolarHBondContact O-CB 3.46Å; L271-Q274 PolarHBondContact O-N 2.81Å; A272-Q274 VanDerWaalsContact C-N 3.34Å; Q274-A278 WeakPolarHBondContact O-CB 3.48Å; Q274-A278 PolarHBondContact O-N 3.42Å; Q274-C383 VanDerWaalsContact CD-SG 3.6Å; Q274-C383 HydrophobicContact CG-CB 4.23Å; Q274-C383 WeakPolarHBondContact CG-SG 3.04Å; Q274-C383 PolarHBondContact NE2-SG 3.28Å
275	K	68.2	Low	65.7	Low	141 Å²	141	47.4 Å²	47.4	61%	0.613	25%	0.253	S	S	*	.	H	α-helix	trans	-69.5	-43.2	176.6	-71.3	-179.1	178.2	-171.3	0	113.4	L271 A272 L273 L277 A278	L271-K275 WeakPolarHBondContact O-CG 3.34Å; L271-K275 PolarHBondContact O-N 3.06Å; A272-K275 PolarHBondContact O-N 2.8Å; L273-K275 VanDerWaalsContact C-N 3.32Å; L273-K275 PolarHBondContact O-N 3.43Å; K275-L277 VanDerWaalsContact C-N 3.34Å; K275-A278 VanDerWaalsContact O-CB 3.32Å; K275-A278 WeakPolarHBondContact O-CB 2.97Å; K275-A278 PolarHBondContact O-N 3.12Å
276	A	63.6	Low	66	Low	27 Å²	27	47.2 Å²	47.2	22%	0.223	25%	0.252	C	S	.	.	H	α-helix	trans	-70.5	-31.4	-178.6	0	0	0	0	0	113	A272 L273 R785 A789 I793	A272-A276 WeakPolarHBondContact O-CB 3.14Å; A272-A276 PolarHBondContact O-N 2.67Å; L273-A276 PolarHBondContact O-N 2.91Å; A276-R785 PolarHBondContact O-NH2 3.12Å; A276-A789 HydrophobicContact CB-CB 4.07Å; A276-I793 HydrophobicContact CB-CD1 4.38Å
277	L	64.9	Low	66.2	Low	4 Å²	4	42.7 Å²	42.7	2%	0.021	23%	0.228	C	C	.	.	H	α-helix	trans	-90.2	-9.7	176.6	-64.3	172.3	0	0	0	113.2	L251 L273 K275 P279 R786	L251-L277 VanDerWaalsContact O-O 3.09Å; L273-L277 HydrophobicContact CD2-CD1 4.35Å; L273-L277 WeakPolarHBondContact O-CB 3.22Å; L273-L277 VanDerWaalsContact O-CG 3.25Å; L273-L277 WeakPolarHBondContact O-CG 3.39Å; L273-L277 PolarHBondContact O-N 3.24Å; K275-L277 VanDerWaalsContact C-N 3.34Å; L277-P279 WeakPolarHBondContact O-CD 3.36Å; L277-R786 HydrophobicContact CD1-CG 3.86Å; L277-R786 HydrophobicContact CD2-CB 4.41Å; L277-R786 HydrophobicContact CD2-CG 3.61Å; L277-R786 HydrophobicContact CG-CG 4.4Å
278	A	59.5	Low	66.9	Low	17 Å²	17	42.2 Å²	42.2	14%	0.14	23%	0.227	C	C	.	.			trans	-52.5	111.2	175.8	0	0	0	0	0	108.6	Q274 K275 M387	Q274-A278 WeakPolarHBondContact O-CB 3.48Å; Q274-A278 PolarHBondContact O-N 3.42Å; K275-A278 VanDerWaalsContact O-CB 3.32Å; K275-A278 WeakPolarHBondContact O-CB 2.97Å; K275-A278 PolarHBondContact O-N 3.12Å; A278-M387 HydrophobicContact CB-CE 3.58Å; A278-M387 HydrophobicContact CB-SD 3.68Å
279	P	55.5	Low	67.4	Low	14 Å²	14	41.8 Å²	41.8	9%	0.091	24%	0.235	C	C	.	.			trans	-86.7	166.2	-169.5	36.1	-37.3	0	0	0	110.6	L251 L277 M281 L380	L251-P279 HydrophobicContact CB-CB 4.27Å; L251-P279 HydrophobicContact CD2-CB 4.27Å; L277-P279 WeakPolarHBondContact O-CD 3.36Å; P279-M281 HydrophobicContact CB-CB 4.1Å; P279-M281 HydrophobicContact CB-CG 3.73Å; P279-M281 HydrophobicContact CG-CB 3.69Å; P279-M281 HydrophobicContact CG-CG 3.79Å; P279-M281 PolarHBondContact O-N 2.89Å; P279-L380 HydrophobicContact CG-CD1 4.27Å
280	D	53.8	Low	67.9	Low	118 Å²	118	41.2 Å²	41.2	63%	0.631	23%	0.233	S	C	*	.	S	Bend	trans	-57.8	-2.8	162.7	-74.2	-46.1	0	0	0	113.5	S282 R852	D280-S282 PolarHBondContact O-N 2.99Å; D280-R852 VanDerWaalsContact CG-NH2 3.28Å; D280-R852 IonicContact OD1-CZ 3.11Å; D280-R852 IonicContact OD1-NH1 3.36Å; D280-R852 PolarHBondContact OD1-NH1 3.44Å; D280-R852 IonicContact OD1-NH2 2.74Å; D280-R852 PolarHBondContact OD1-NH2 2.85Å; D280-R852 IonicContact OD2-CZ 3.68Å; D280-R852 IonicContact OD2-NH2 2.82Å; D280-R852 PolarHBondContact OD2-NH2 2.49Å; D280-R852 VanDerWaalsContact OD2-NH2 3.14Å
281	M	60.1	Low	68.8	Low	39 Å²	39	39.9 Å²	39.9	19%	0.192	23%	0.227	C	C	.	.			trans	-76.4	109.1	179.5	-50.1	-67.2	-71.4	0	0	109.2	W244 P279 H384	W244-M281 HydrophobicContact CH2-CE 4.21Å; W244-M281 HydrophobicContact CZ2-CE 3.14Å; P279-M281 HydrophobicContact CB-CB 4.1Å; P279-M281 HydrophobicContact CB-CG 3.73Å; P279-M281 HydrophobicContact CG-CB 3.69Å; P279-M281 HydrophobicContact CG-CG 3.79Å; P279-M281 PolarHBondContact O-N 2.89Å; M281-H384 PolarHBondContact O-NE2 2.83Å
282	S	65.8	Low	69.6	Low	50 Å²	50	42.4 Å²	42.4	35%	0.35	24%	0.237	S	C	.	.			trans	-62.2	149.6	165.5	60.7	0	0	0	0	110.2	D280 D284 N285	D280-S282 PolarHBondContact O-N 2.99Å; S282-D284 PolarHBondContact O-N 3.09Å; S282-N285 PolarHBondContact O-N 2.86Å; S282-N285 VanDerWaalsContact O-N 3.13Å; S282-N285 PolarHBondContact OG-N 2.9Å
283	P	62.7	Low	70.5	Confident	30 Å²	30	43 Å²	43	20%	0.195	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-58.9	-25.1	171.7	25.2	-33.6	0	0	0	112.7	N285 F286 L380 E381	P283-N285 VanDerWaalsContact C-N 3.33Å; P283-N285 PolarHBondContact O-N 3.24Å; P283-F286 WeakPolarHBondContact O-CB 3.34Å; P283-F286 PolarHBondContact O-N 3.38Å; P283-L380 HydrophobicContact CB-CD2 3.79Å; P283-E381 HydrophobicContact CB-CG 3.36Å; P283-E381 HydrophobicContact CG-CG 4.17Å
284	D	63.6	Low	71.5	Confident	100 Å²	100	41.8 Å²	41.8	54%	0.535	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-67.2	-29.8	177.3	-61.8	-50.6	0	0	0	113.4	S282 F286 R486	S282-D284 PolarHBondContact O-N 3.09Å; D284-F286 VanDerWaalsContact C-N 3.31Å; D284-R486 IonicContact OD1-CZ 4Å; D284-R486 IonicContact OD1-NH1 3.71Å; D284-R486 PolarHBondContact OD1-NH1 3.16Å; D284-R486 IonicContact OD2-CZ 3.65Å; D284-R486 IonicContact OD2-NH1 3.9Å; D284-R486 PolarHBondContact OD2-NH1 3.14Å
285	N	69.3	Low	72.4	Confident	67 Å²	67	42.1 Å²	42.1	36%	0.358	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-95.1	18.8	-179.5	-163	39	0	0	0	112.7	W244 S282 P283 G287 G288	W244-N285 VanDerWaalsContact CZ2-O 3.31Å; W244-N285 WeakPolarHBondContact CZ2-O 3.11Å; S282-N285 PolarHBondContact O-N 2.86Å; S282-N285 VanDerWaalsContact O-N 3.13Å; S282-N285 PolarHBondContact OG-N 2.9Å; P283-N285 VanDerWaalsContact C-N 3.33Å; P283-N285 PolarHBondContact O-N 3.24Å; N285-G287 PolarHBondContact O-N 3.35Å; N285-G288 WeakPolarHBondContact O-CA 3.48Å; N285-G288 PolarHBondContact O-N 3.39Å
286	F	72.1	Confident	73.3	Confident	5 Å²	5	41.6 Å²	41.6	2%	0.022	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	124.4	177.2	-169.1	-96.2	0	0	0	110.3	W244 F245 P283 D284 L291 A323 P373 M376 K377	W244-F286 AromaticContact CH2-CD2 3.98Å; W244-F286 HydrophobicContact CH2-CD2 3.98Å; W244-F286 HydrophobicContact CH2-CE2 4.49Å; W244-F286 HydrophobicContact CH2-CG 4.37Å; W244-F286 HydrophobicContact CZ3-CD2 4.37Å; F245-F286 AromaticContact CE1-CE1 3.8Å; F245-F286 HydrophobicContact CE1-CE1 3.8Å; F245-F286 AromaticContact CE1-CE2 3.8Å; F245-F286 HydrophobicContact CE1-CE2 3.8Å; F245-F286 AromaticContact CE1-CZ 3.3Å; F245-F286 HydrophobicContact CE1-CZ 3.3Å; F245-F286 HydrophobicContact CZ-CD1 4.05Å; F245-F286 AromaticContact CZ-CE1 3.35Å; F245-F286 HydrophobicContact CZ-CE1 3.35Å; F245-F286 HydrophobicContact CZ-CE2 4.15Å; F245-F286 AromaticContact CZ-CZ 3.41Å; F245-F286 HydrophobicContact CZ-CZ 3.41Å; F245-F286 VanDerWaalsContact CZ-CZ 3.41Å; P283-F286 WeakPolarHBondContact O-CB 3.34Å; P283-F286 PolarHBondContact O-N 3.38Å; D284-F286 VanDerWaalsContact C-N 3.31Å; F286-L291 WeakPolarHBondContact O-CD2 3.48Å; F286-A323 WeakPolarHBondContact CD1-O 3.43Å; F286-A323 WeakPolarHBondContact CE1-O 3.46Å; F286-P373 HydrophobicContact CE1-CB 4.31Å; F286-P373 WeakPolarHBondContact CE1-O 3.41Å; F286-P373 HydrophobicContact CZ-CB 4.49Å; F286-P373 WeakPolarHBondContact CZ-O 3.41Å; F286-M376 HydrophobicContact CE2-CB 4.39Å; F286-M376 HydrophobicContact CZ-CB 4.11Å; F286-K377 HydrophobicContact CB-CD 4.25Å; F286-K377 HydrophobicContact CB-CG 4.1Å; F286-K377 HydrophobicContact CD1-CB 3.78Å; F286-K377 HydrophobicContact CD1-CD 3.76Å; F286-K377 HydrophobicContact CD1-CG 3.75Å; F286-K377 HydrophobicContact CD2-CB 4.14Å; F286-K377 HydrophobicContact CD2-CG 4.14Å; F286-K377 HydrophobicContact CE1-CB 3.57Å; F286-K377 HydrophobicContact CE1-CD 4.29Å; F286-K377 HydrophobicContact CE1-CG 4.11Å; F286-K377 HydrophobicContact CE2-CB 3.98Å; F286-K377 HydrophobicContact CE2-CG 4.49Å; F286-K377 HydrophobicContact CG-CB 4.03Å; F286-K377 HydrophobicContact CG-CD 4.1Å; F286-K377 HydrophobicContact CG-CG 3.75Å; F286-K377 HydrophobicContact CZ-CB 3.68Å; F286-K377 HydrophobicContact CZ-CG 4.46Å
287	G	71.8	Confident	74.6	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.1	-1.5	-168.6	0	0	0	0	0	114.5	W244 N285	W244-G287 VanDerWaalsContact CH2-N 3.34Å; N285-G287 PolarHBondContact O-N 3.35Å
288	G	80.5	Confident	75.9	Confident	3 Å²	3	40.5 Å²	40.5	3%	0.031	21%	0.212	C	C	.	.			trans	69.1	-169.1	174.4	0	0	0	0	0	114.7	N285 A290 L291	N285-G288 WeakPolarHBondContact O-CA 3.48Å; N285-G288 PolarHBondContact O-N 3.39Å; G288-A290 PolarHBondContact O-N 2.9Å; G288-A290 VanDerWaalsContact O-N 3.11Å; G288-L291 PolarHBondContact O-N 2.98Å
289	P	81.9	Confident	77.2	Confident	79 Å²	79	43.3 Å²	43.3	51%	0.513	22%	0.219	S	C	.	.	H	α-helix	trans	-64.8	-19.2	-175.7	26.9	-35.2	0	0	0	113.4	L291 H292 K293	P289-L291 VanDerWaalsContact C-N 3.34Å; P289-L291 PolarHBondContact O-N 3.25Å; P289-H292 PolarHBondContact O-N 3.03Å; P289-K293 WeakPolarHBondContact O-CG 3.33Å; P289-K293 PolarHBondContact O-N 3.34Å
290	A	86	Confident	78.7	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.008	23%	0.234	C	C	.	.	H	α-helix	trans	-64.1	-36	177.6	0	0	0	0	0	112.6	D240 I241 G288 H292 K293 V294	D240-A290 HydrophobicContact CB-CB 3.9Å; I241-A290 HydrophobicContact CD1-CB 4.4Å; I241-A290 HydrophobicContact CG1-CB 3.73Å; G288-A290 PolarHBondContact O-N 2.9Å; G288-A290 VanDerWaalsContact O-N 3.11Å; A290-H292 VanDerWaalsContact C-N 3.34Å; A290-H292 PolarHBondContact O-N 3.32Å; A290-K293 WeakPolarHBondContact O-CB 3.38Å; A290-K293 PolarHBondContact O-N 3.41Å; A290-K293 VanDerWaalsContact O-N 3.15Å; A290-V294 WeakPolarHBondContact O-CG2 3.36Å; A290-V294 PolarHBondContact O-N 3.16Å
291	L	86.8	Confident	80.3	Confident	19 Å²	19	42.1 Å²	42.1	10%	0.099	20%	0.204	C	C	.	.	H	α-helix	trans	-61.3	-43.5	176.3	179.7	60	0	0	0	111.5	F286 G288 P289 K293 V294 Y295 L320 A323	F286-L291 WeakPolarHBondContact O-CD2 3.48Å; G288-L291 PolarHBondContact O-N 2.98Å; P289-L291 VanDerWaalsContact C-N 3.34Å; P289-L291 PolarHBondContact O-N 3.25Å; L291-K293 VanDerWaalsContact C-N 3.29Å; L291-K293 PolarHBondContact O-N 3.38Å; L291-V294 WeakPolarHBondContact O-CB 3.47Å; L291-V294 PolarHBondContact O-N 3.24Å; L291-V294 VanDerWaalsContact O-N 3.16Å; L291-Y295 HydrophobicContact CD1-CD2 3.91Å; L291-Y295 HydrophobicContact CD1-CE2 3.72Å; L291-Y295 HydrophobicContact CG-CD2 4.04Å; L291-Y295 HydrophobicContact CG-CE2 4.08Å; L291-Y295 PolarHBondContact O-N 3.31Å; L291-L320 HydrophobicContact CD1-CD2 4.03Å; L291-A323 HydrophobicContact CD1-CB 3.66Å; L291-A323 HydrophobicContact CD2-CB 4.12Å; L291-A323 HydrophobicContact CG-CB 4.31Å
292	H	86.3	Confident	81.5	Confident	109 Å²	109	41.1 Å²	41.1	51%	0.505	20%	0.2	S	C	.	.	H	α-helix	trans	-63	-37.6	175.8	-172.5	58.5	0	0	0	112	P289 A290 Y295 R296	P289-H292 PolarHBondContact O-N 3.03Å; A290-H292 VanDerWaalsContact C-N 3.34Å; A290-H292 PolarHBondContact O-N 3.32Å; H292-Y295 PolarHBondContact O-N 2.82Å; H292-R296 PolarHBondContact NE2-NH2 3.5Å; H292-R296 VanDerWaalsContact NE2-NH2 3.14Å; H292-R296 VanDerWaalsContact O-CB 3.28Å; H292-R296 WeakPolarHBondContact O-CB 3.49Å; H292-R296 PolarHBondContact O-N 3.03Å
293	K	88.4	Confident	82.3	Confident	45 Å²	45	44.6 Å²	44.6	20%	0.196	21%	0.211	C	C	.	.	H	α-helix	trans	-62.9	-41.3	173.5	-66	174.8	-171.1	172.5	0	111.6	S208 F212 P289 A290 L291 F297	S208-K293 WeakPolarHBondContact OG-CD 3.38Å; S208-K293 PolarHBondContact OG-NZ 2.84Å; F212-K293 HydrophobicContact CD2-CB 4.44Å; F212-K293 HydrophobicContact CD2-CD 3.96Å; F212-K293 HydrophobicContact CE2-CB 3.8Å; F212-K293 HydrophobicContact CE2-CD 4.05Å; F212-K293 HydrophobicContact CE2-CG 4.37Å; F212-K293 HydrophobicContact CZ-CB 4.36Å; P289-K293 WeakPolarHBondContact O-CG 3.33Å; P289-K293 PolarHBondContact O-N 3.34Å; A290-K293 WeakPolarHBondContact O-CB 3.38Å; A290-K293 PolarHBondContact O-N 3.41Å; A290-K293 VanDerWaalsContact O-N 3.15Å; L291-K293 VanDerWaalsContact C-N 3.29Å; L291-K293 PolarHBondContact O-N 3.38Å; K293-F297 WeakPolarHBondContact O-CB 3.14Å; K293-F297 PolarHBondContact O-N 3.25Å
294	V	90.8	Very high	83.3	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-58.7	-52.3	175.2	173.6	0	0	0	0	110.3	F234 C237 A290 L291 F297 W298 L316 A319 L320	F234-V294 HydrophobicContact CD1-CG1 4.11Å; F234-V294 HydrophobicContact CE1-CG1 4Å; C237-V294 HydrophobicContact CB-CG2 3.33Å; A290-V294 WeakPolarHBondContact O-CG2 3.36Å; A290-V294 PolarHBondContact O-N 3.16Å; L291-V294 WeakPolarHBondContact O-CB 3.47Å; L291-V294 PolarHBondContact O-N 3.24Å; L291-V294 VanDerWaalsContact O-N 3.16Å; V294-F297 PolarHBondContact O-N 3.45Å; V294-W298 VanDerWaalsContact O-CB 3.29Å; V294-W298 WeakPolarHBondContact O-CB 3.28Å; V294-W298 PolarHBondContact O-N 3.25Å; V294-L316 HydrophobicContact CG1-CD1 3.58Å; V294-A319 HydrophobicContact CG1-CB 4.38Å; V294-A319 HydrophobicContact CG2-CB 3.93Å; V294-L320 HydrophobicContact CG1-CD2 4Å; V294-L320 HydrophobicContact CG1-CG 4.32Å
295	Y	88.9	Confident	84.2	Confident	17 Å²	17	51.1 Å²	51.1	7%	0.067	24%	0.238	C	C	.	.	H	α-helix	trans	-62.5	-46.3	-179.6	-87.3	-63.7	0	0	0	113.1	L291 H292 F297 W298 R299 L320 D325 R331	L291-Y295 HydrophobicContact CD1-CD2 3.91Å; L291-Y295 HydrophobicContact CD1-CE2 3.72Å; L291-Y295 HydrophobicContact CG-CD2 4.04Å; L291-Y295 HydrophobicContact CG-CE2 4.08Å; L291-Y295 PolarHBondContact O-N 3.31Å; H292-Y295 PolarHBondContact O-N 2.82Å; Y295-F297 VanDerWaalsContact C-N 3.3Å; Y295-F297 PolarHBondContact O-N 3.23Å; Y295-W298 HydrophobicContact CD1-CE3 4.06Å; Y295-W298 HydrophobicContact CD1-CZ3 4.41Å; Y295-W298 HydrophobicContact CE1-CE3 4.04Å; Y295-W298 AromaticContact CE1-CZ3 3.94Å; Y295-W298 HydrophobicContact CE1-CZ3 3.94Å; Y295-W298 PolarHBondContact O-N 3.03Å; Y295-R299 WeakPolarHBondContact O-CB 3.47Å; Y295-R299 PolarHBondContact O-N 2.68Å; Y295-L320 HydrophobicContact CE1-CD2 4.33Å; Y295-L320 HydrophobicContact CE2-CD2 3.99Å; Y295-D325 PolarHBondContact OH-OD2 3.22Å; Y295-R331 PolarHBondContact OH-NH2 3.21Å
296	R	86.9	Confident	84.7	Confident	130 Å²	130	50 Å²	50	49%	0.491	23%	0.232	S	C	.	.	H	α-helix	trans	-60.9	-41.3	176.4	-177.3	-178.9	-73.3	172.1	-8.6	111.4	H292 R300	H292-R296 PolarHBondContact NE2-NH2 3.5Å; H292-R296 VanDerWaalsContact NE2-NH2 3.14Å; H292-R296 VanDerWaalsContact O-CB 3.28Å; H292-R296 WeakPolarHBondContact O-CB 3.49Å; H292-R296 PolarHBondContact O-N 3.03Å; R296-R300 PolarHBondContact O-N 2.74Å
297	F	91.1	Very high	85.1	Confident	8 Å²	8	54.5 Å²	54.5	4%	0.035	26%	0.262	C	S	.	.	H	α-helix	trans	-71.1	-42.5	-179.7	-172.2	-119.7	0	0	0	112.1	F212 Y215 Y230 L233 F234 K293 V294 Y295 R300 L301	F212-F297 HydrophobicContact CE1-CB 4.08Å; F212-F297 HydrophobicContact CE1-CD1 4.35Å; F212-F297 AromaticContact CE1-CD2 3.7Å; F212-F297 HydrophobicContact CE1-CD2 3.7Å; F212-F297 HydrophobicContact CE1-CE2 4.23Å; F212-F297 AromaticContact CE1-CG 3.78Å; F212-F297 HydrophobicContact CE1-CG 3.78Å; F212-F297 HydrophobicContact CZ-CB 3.99Å; F212-F297 HydrophobicContact CZ-CD1 4.39Å; F212-F297 HydrophobicContact CZ-CD2 4.39Å; F212-F297 HydrophobicContact CZ-CG 4.01Å; Y215-F297 HydrophobicContact CE1-CE2 4.02Å; Y230-F297 HydrophobicContact CD1-CE1 4.07Å; Y230-F297 AromaticContact CD1-CZ 3.48Å; Y230-F297 HydrophobicContact CD1-CZ 3.48Å; Y230-F297 VanDerWaalsContact CD1-CZ 3.48Å; Y230-F297 AromaticContact CE1-CZ 3.92Å; Y230-F297 HydrophobicContact CE1-CZ 3.92Å; Y230-F297 HydrophobicContact CG-CE1 4.49Å; Y230-F297 HydrophobicContact CG-CZ 4.28Å; L233-F297 HydrophobicContact CB-CE1 4.25Å; L233-F297 HydrophobicContact CD1-CE1 4.03Å; L233-F297 HydrophobicContact CD1-CE2 4.22Å; L233-F297 HydrophobicContact CD1-CZ 3.67Å; F234-F297 HydrophobicContact CD1-CD1 4.29Å; F234-F297 AromaticContact CE1-CD1 3.64Å; F234-F297 HydrophobicContact CE1-CD1 3.64Å; F234-F297 HydrophobicContact CE1-CE1 4.43Å; F234-F297 HydrophobicContact CE2-CD1 4.05Å; F234-F297 HydrophobicContact CE2-CE1 4.06Å; F234-F297 AromaticContact CZ-CD1 3.51Å; F234-F297 HydrophobicContact CZ-CD1 3.51Å; F234-F297 AromaticContact CZ-CE1 3.98Å; F234-F297 HydrophobicContact CZ-CE1 3.98Å; K293-F297 WeakPolarHBondContact O-CB 3.14Å; K293-F297 PolarHBondContact O-N 3.25Å; V294-F297 PolarHBondContact O-N 3.45Å; Y295-F297 VanDerWaalsContact C-N 3.3Å; Y295-F297 PolarHBondContact O-N 3.23Å; F297-R300 WeakPolarHBondContact O-CB 3.29Å; F297-R300 PolarHBondContact O-N 2.78Å; F297-L301 HydrophobicContact CD1-CD1 4.28Å; F297-L301 HydrophobicContact CE1-CD1 3.85Å; F297-L301 HydrophobicContact CE1-CG 4.31Å; F297-L301 HydrophobicContact CZ-CD1 4.22Å; F297-L301 HydrophobicContact CZ-CD2 4.18Å; F297-L301 HydrophobicContact CZ-CG 4.27Å; F297-L301 PolarHBondContact O-N 3.02Å
298	W	91.8	Very high	85.7	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-59.8	-46.4	174.2	-177.1	20	0	0	0	111.2	F234 V294 Y295 R300 L301 T302 L316 L320 R331 A332 M335 P481	F234-W298 HydrophobicContact CZ-CB 4.35Å; V294-W298 VanDerWaalsContact O-CB 3.29Å; V294-W298 WeakPolarHBondContact O-CB 3.28Å; V294-W298 PolarHBondContact O-N 3.25Å; Y295-W298 HydrophobicContact CD1-CE3 4.06Å; Y295-W298 HydrophobicContact CD1-CZ3 4.41Å; Y295-W298 HydrophobicContact CE1-CE3 4.04Å; Y295-W298 AromaticContact CE1-CZ3 3.94Å; Y295-W298 HydrophobicContact CE1-CZ3 3.94Å; Y295-W298 PolarHBondContact O-N 3.03Å; W298-R300 VanDerWaalsContact C-N 3.31Å; W298-R300 PolarHBondContact O-N 2.85Å; W298-L301 WeakPolarHBondContact O-CB 3.45Å; W298-L301 PolarHBondContact O-N 3.28Å; W298-T302 PolarHBondContact O-N 3.39Å; W298-T302 PolarHBondContact O-OG1 3.49Å; W298-L316 HydrophobicContact CB-CD1 4.31Å; W298-L316 HydrophobicContact CD2-CD1 4.19Å; W298-L316 HydrophobicContact CD2-CD2 3.77Å; W298-L316 HydrophobicContact CE3-CD1 4.24Å; W298-L316 HydrophobicContact CE3-CD2 4.34Å; W298-L316 HydrophobicContact CG-CD1 4.24Å; W298-L316 HydrophobicContact CG-CD2 3.94Å; W298-L316 HydrophobicContact CZ2-CD2 4.12Å; W298-L320 HydrophobicContact CE3-CD1 4.42Å; W298-L320 HydrophobicContact CZ3-CD1 3.99Å; W298-R331 HydrophobicContact CH2-CB 4.18Å; W298-A332 HydrophobicContact CH2-CB 3.94Å; W298-A332 HydrophobicContact CZ2-CB 4.06Å; W298-M335 HydrophobicContact CZ2-SD 3.51Å; W298-M335 VanDerWaalsContact CZ2-SD 3.51Å; W298-P481 HydrophobicContact CD2-CB 3.78Å; W298-P481 HydrophobicContact CD2-CG 4.49Å; W298-P481 HydrophobicContact CE3-CB 3.94Å; W298-P481 HydrophobicContact CG-CB 4.15Å; W298-P481 HydrophobicContact CZ3-CB 4.39Å
299	R	87.9	Confident	85.9	Confident	75 Å²	75	57.2 Å²	57.2	28%	0.283	28%	0.275	S	S	.	.	H	α-helix	trans	-57.2	-42.5	174.3	-168.9	-171.9	-63.3	-169.6	-5.2	112.4	Y295 L301 T302 E303 P481 S482	Y295-R299 WeakPolarHBondContact O-CB 3.47Å; Y295-R299 PolarHBondContact O-N 2.68Å; R299-L301 VanDerWaalsContact C-N 3.33Å; R299-L301 PolarHBondContact O-N 2.82Å; R299-T302 WeakPolarHBondContact CA-OG1 3.48Å; R299-T302 PolarHBondContact O-N 3.22Å; R299-T302 PolarHBondContact O-OG1 3.31Å; R299-E303 WeakPolarHBondContact CD-OE1 3.41Å; R299-E303 HydrophobicContact CG-CG 4.33Å; R299-E303 VanDerWaalsContact CG-OE1 3.31Å; R299-E303 WeakPolarHBondContact CG-OE1 3.42Å; R299-E303 WeakPolarHBondContact O-CB 3.44Å; R299-E303 VanDerWaalsContact O-CG 3.29Å; R299-E303 WeakPolarHBondContact O-CG 3.5Å; R299-E303 PolarHBondContact O-N 3.13Å; R299-P481 HydrophobicContact CB-CB 4.46Å; R299-P481 HydrophobicContact CB-CG 4.36Å; R299-S482 VanDerWaalsContact NH2-CA 3.33Å; R299-S482 PolarHBondContact NH2-O 3.23Å
300	R	86.8	Confident	86.1	Confident	106 Å²	106	55.8 Å²	55.8	40%	0.4	26%	0.262	S	S	.	.	H	α-helix	trans	-64	-35.5	175.8	179.7	177.6	170.3	130.3	-5.6	112.7	R296 F297 W298 K304	R296-R300 PolarHBondContact O-N 2.74Å; F297-R300 WeakPolarHBondContact O-CB 3.29Å; F297-R300 PolarHBondContact O-N 2.78Å; W298-R300 VanDerWaalsContact C-N 3.31Å; W298-R300 PolarHBondContact O-N 2.85Å; R300-K304 HydrophobicContact CG-CD 4.34Å; R300-K304 WeakPolarHBondContact O-CB 3.41Å; R300-K304 VanDerWaalsContact O-CG 3.28Å; R300-K304 WeakPolarHBondContact O-CG 3.29Å; R300-K304 PolarHBondContact O-N 3.22Å
301	L	87.6	Confident	86.1	Confident	2 Å²	2	61.4 Å²	61.4	1%	0.01	29%	0.286	C	S	.	.	H	α-helix	trans	-69.3	-39.5	176.3	-68.7	178.1	0	0	0	111.3	Y230 F234 F297 W298 R299 N305 I306 M308	Y230-L301 HydrophobicContact CD1-CD2 4.21Å; Y230-L301 HydrophobicContact CD2-CD2 4.12Å; Y230-L301 HydrophobicContact CE1-CD2 3.93Å; Y230-L301 HydrophobicContact CE2-CD2 3.92Å; Y230-L301 HydrophobicContact CG-CD1 4.42Å; Y230-L301 HydrophobicContact CG-CD2 4.25Å; F234-L301 HydrophobicContact CE2-CD1 3.87Å; F234-L301 HydrophobicContact CZ-CD1 3.97Å; F297-L301 HydrophobicContact CD1-CD1 4.28Å; F297-L301 HydrophobicContact CE1-CD1 3.85Å; F297-L301 HydrophobicContact CE1-CG 4.31Å; F297-L301 HydrophobicContact CZ-CD1 4.22Å; F297-L301 HydrophobicContact CZ-CD2 4.18Å; F297-L301 HydrophobicContact CZ-CG 4.27Å; F297-L301 PolarHBondContact O-N 3.02Å; W298-L301 WeakPolarHBondContact O-CB 3.45Å; W298-L301 PolarHBondContact O-N 3.28Å; R299-L301 VanDerWaalsContact C-N 3.33Å; R299-L301 PolarHBondContact O-N 2.82Å; L301-N305 PolarHBondContact O-N 3.41Å; L301-I306 HydrophobicContact CD2-CB 4.33Å; L301-I306 HydrophobicContact CD2-CD1 3.79Å; L301-I306 HydrophobicContact CD2-CG2 4.44Å; L301-I306 PolarHBondContact O-N 3.09Å; L301-M308 HydrophobicContact CD1-CG 4.43Å; L301-M308 HydrophobicContact CD1-SD 3.88Å
302	T	84	Confident	86.1	Confident	18 Å²	18	60.5 Å²	60.5	11%	0.11	28%	0.281	C	S	.	.	H	α-helix	trans	-72.5	-42.6	178.2	57.9	0	0	0	0	112.5	W298 R299 K304 N305 M335 P481	W298-T302 PolarHBondContact O-N 3.39Å; W298-T302 PolarHBondContact O-OG1 3.49Å; R299-T302 WeakPolarHBondContact CA-OG1 3.48Å; R299-T302 PolarHBondContact O-N 3.22Å; R299-T302 PolarHBondContact O-OG1 3.31Å; T302-K304 PolarHBondContact O-N 2.88Å; T302-N305 WeakPolarHBondContact O-CA 3.07Å; T302-N305 PolarHBondContact O-N 2.91Å; T302-N305 PolarHBondContact O-OD1 2.78Å; T302-M335 HydrophobicContact CG2-CE 3.9Å; T302-P481 HydrophobicContact CG2-CG 3.66Å; T302-P481 WeakPolarHBondContact OG1-CG 3.37Å
303	E	83.9	Confident	86.3	Confident	123 Å²	123	55.6 Å²	55.6	58%	0.575	26%	0.259	S	S	*	.	H	α-helix	trans	-60.3	-35.8	175.2	-75.3	168.9	-178	0	0	111.9	R299 N305	R299-E303 WeakPolarHBondContact CD-OE1 3.41Å; R299-E303 HydrophobicContact CG-CG 4.33Å; R299-E303 VanDerWaalsContact CG-OE1 3.31Å; R299-E303 WeakPolarHBondContact CG-OE1 3.42Å; R299-E303 WeakPolarHBondContact O-CB 3.44Å; R299-E303 VanDerWaalsContact O-CG 3.29Å; R299-E303 WeakPolarHBondContact O-CG 3.5Å; R299-E303 PolarHBondContact O-N 3.13Å; E303-N305 PolarHBondContact O-N 3.44Å
304	K	83.6	Confident	86.4	Confident	124 Å²	124	53.9 Å²	53.9	54%	0.539	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	1.4	175.1	-68.4	-171.7	177.5	-139.1	0	113.7	R300 T302 I306	R300-K304 HydrophobicContact CG-CD 4.34Å; R300-K304 WeakPolarHBondContact O-CB 3.41Å; R300-K304 VanDerWaalsContact O-CG 3.28Å; R300-K304 WeakPolarHBondContact O-CG 3.29Å; R300-K304 PolarHBondContact O-N 3.22Å; T302-K304 PolarHBondContact O-N 2.88Å; K304-I306 HydrophobicContact CB-CD1 3.79Å; K304-I306 HydrophobicContact CB-CG1 3.82Å; K304-I306 HydrophobicContact CD-CD1 4.21Å; K304-I306 PolarHBondContact O-N 3.11Å
305	N	81	Confident	86.4	Confident	143 Å²	143	54.5 Å²	54.5	77%	0.765	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	40.1	-176.2	-66.7	-47.6	0	0	0	113.2	L301 T302 E303 P307	L301-N305 PolarHBondContact O-N 3.41Å; T302-N305 WeakPolarHBondContact O-CA 3.07Å; T302-N305 PolarHBondContact O-N 2.91Å; T302-N305 PolarHBondContact O-OD1 2.78Å; E303-N305 PolarHBondContact O-N 3.44Å; N305-P307 WeakPolarHBondContact O-CD 3.46Å
306	I	81.7	Confident	86.6	Confident	43 Å²	43	53.7 Å²	53.7	22%	0.221	25%	0.253	C	S	.	.			trans	-81.2	115.9	179.1	-63.6	169.6	0	0	0	108.1	Y230 L301 K304 M308	Y230-I306 HydrophobicContact CE2-CG2 3.83Å; L301-I306 HydrophobicContact CD2-CB 4.33Å; L301-I306 HydrophobicContact CD2-CD1 3.79Å; L301-I306 HydrophobicContact CD2-CG2 4.44Å; L301-I306 PolarHBondContact O-N 3.09Å; K304-I306 HydrophobicContact CB-CD1 3.79Å; K304-I306 HydrophobicContact CB-CG1 3.82Å; K304-I306 HydrophobicContact CD-CD1 4.21Å; K304-I306 PolarHBondContact O-N 3.11Å; I306-M308 PolarHBondContact O-N 3.41Å
307	P	78.6	Confident	86.9	Confident	100 Å²	100	47.5 Å²	47.5	65%	0.649	23%	0.23	S	C	*	.	P	Polyproline II helix	trans	-64.7	131.4	179	27.1	-33.6	0	0	0	109.2	Q227 N305	Q227-P307 PolarHBondContact NE2-O 3.04Å; Q227-P307 PolarHBondContact OE1-O 3.4Å; N305-P307 WeakPolarHBondContact O-CD 3.46Å
308	M	85.9	Confident	86.9	Confident	12 Å²	12	48 Å²	48	6%	0.059	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-98.5	140.2	179.1	-78.5	-173.2	-68.2	0	0	110.1	L301 I306 T312 Y313	L301-M308 HydrophobicContact CD1-CG 4.43Å; L301-M308 HydrophobicContact CD1-SD 3.88Å; I306-M308 PolarHBondContact O-N 3.41Å; M308-T312 WeakPolarHBondContact CA-OG1 3.4Å; M308-T312 VanDerWaalsContact CB-OG1 3.3Å; M308-T312 WeakPolarHBondContact CB-OG1 3.31Å; M308-Y313 HydrophobicContact CB-CD2 3.77Å; M308-Y313 HydrophobicContact CB-CE2 3.39Å; M308-Y313 HydrophobicContact CB-CG 4.49Å; M308-Y313 HydrophobicContact CE-CD1 4.27Å; M308-Y313 HydrophobicContact CE-CE1 3.56Å; M308-Y313 HydrophobicContact CE-CE2 4.35Å; M308-Y313 WeakPolarHBondContact O-CE2 3.44Å
309	N	83.8	Confident	86.9	Confident	48 Å²	48	48 Å²	48	26%	0.257	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-87.2	170.1	173	70.5	4.8	0	0	0	111.8	Q227 F311 T312 Y313	Q227-N309 VanDerWaalsContact CB-ND2 3.32Å; Q227-N309 WeakPolarHBondContact CB-ND2 3.01Å; Q227-N309 HydrophobicContact CG-CB 4.37Å; N309-F311 VanDerWaalsContact C-N 3.27Å; N309-F311 PolarHBondContact O-N 2.94Å; N309-F311 PolarHBondContact OD1-N 2.67Å; N309-T312 PolarHBondContact N-OG1 2.96Å; N309-T312 PolarHBondContact O-N 2.9Å; N309-T312 VanDerWaalsContact O-N 3.07Å; N309-T312 PolarHBondContact O-OG1 3.06Å; N309-T312 WeakPolarHBondContact OD1-CB 3.37Å; N309-T312 WeakPolarHBondContact OD1-CG2 3.34Å; N309-T312 PolarHBondContact OD1-N 2.79Å; N309-T312 PolarHBondContact OD1-OG1 3.25Å; N309-Y313 WeakPolarHBondContact O-CD2 3.22Å; N309-Y313 PolarHBondContact O-N 2.81Å
310	Q	85.6	Confident	87	Confident	48 Å²	48	44.5 Å²	44.5	22%	0.224	22%	0.22	C	C	.	.	H	α-helix	trans	-51.8	-45.1	177.3	-176.8	169.8	-14.6	0	0	112.2	T312 Y313 N314 M336 L357 V358 D360	Q310-T312 VanDerWaalsContact C-N 3.34Å; Q310-T312 PolarHBondContact O-N 3.08Å; Q310-Y313 PolarHBondContact O-N 3.2Å; Q310-N314 VanDerWaalsContact O-CB 3.29Å; Q310-N314 WeakPolarHBondContact O-CB 3.4Å; Q310-N314 PolarHBondContact O-N 3.04Å; Q310-N314 PolarHBondContact O-OD1 3.42Å; Q310-M336 HydrophobicContact CG-CE 3.96Å; Q310-L357 HydrophobicContact CB-CD2 3.64Å; Q310-V358 PolarHBondContact NE2-O 3.17Å; Q310-D360 VanDerWaalsContact NE2-CG 3.3Å; Q310-D360 PolarHBondContact NE2-OD2 3.16Å
311	F	86.5	Confident	87.2	Confident	119 Å²	119	39.4 Å²	39.4	52%	0.522	20%	0.201	S	C	.	.	H	α-helix	trans	-62.9	-36.5	179.5	-60.1	-73	0	0	0	113.6	S231 N309 A315	S231-F311 PolarHBondContact OG-O 3.43Å; N309-F311 VanDerWaalsContact C-N 3.27Å; N309-F311 PolarHBondContact O-N 2.94Å; N309-F311 PolarHBondContact OD1-N 2.67Å; F311-A315 WeakPolarHBondContact O-CB 3.4Å; F311-A315 PolarHBondContact O-N 2.9Å; F311-A315 VanDerWaalsContact O-N 3.09Å
312	T	87.6	Confident	87.2	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-70.1	-42.9	174.6	44.9	0	0	0	0	112.1	Q227 S231 M308 N309 Q310 A315 L316	Q227-T312 HydrophobicContact CB-CG2 4.16Å; Q227-T312 VanDerWaalsContact O-CG2 3.24Å; Q227-T312 WeakPolarHBondContact O-CG2 3.35Å; Q227-T312 PolarHBondContact OE1-OG1 2.98Å; S231-T312 WeakPolarHBondContact OG-CA 3.41Å; S231-T312 WeakPolarHBondContact OG-CG2 3.1Å; S231-T312 PolarHBondContact OG-N 2.94Å; M308-T312 WeakPolarHBondContact CA-OG1 3.4Å; M308-T312 VanDerWaalsContact CB-OG1 3.3Å; M308-T312 WeakPolarHBondContact CB-OG1 3.31Å; N309-T312 PolarHBondContact N-OG1 2.96Å; N309-T312 PolarHBondContact O-N 2.9Å; N309-T312 VanDerWaalsContact O-N 3.07Å; N309-T312 PolarHBondContact O-OG1 3.06Å; N309-T312 WeakPolarHBondContact OD1-CB 3.37Å; N309-T312 WeakPolarHBondContact OD1-CG2 3.34Å; N309-T312 PolarHBondContact OD1-N 2.79Å; N309-T312 PolarHBondContact OD1-OG1 3.25Å; Q310-T312 VanDerWaalsContact C-N 3.34Å; Q310-T312 PolarHBondContact O-N 3.08Å; T312-A315 PolarHBondContact O-N 3.25Å; T312-L316 WeakPolarHBondContact O-CB 3.33Å; T312-L316 PolarHBondContact O-N 2.9Å
313	Y	90.5	Very high	87.2	Confident	7 Å²	7	39.9 Å²	39.9	3%	0.027	20%	0.201	C	C	.	.	H	α-helix	trans	-62.4	-45.5	174.5	-82.4	-71.2	0	0	0	111.4	M308 N309 Q310 A315 L316 I317 A332 M335 M336	M308-Y313 HydrophobicContact CB-CD2 3.77Å; M308-Y313 HydrophobicContact CB-CE2 3.39Å; M308-Y313 HydrophobicContact CB-CG 4.49Å; M308-Y313 HydrophobicContact CE-CD1 4.27Å; M308-Y313 HydrophobicContact CE-CE1 3.56Å; M308-Y313 HydrophobicContact CE-CE2 4.35Å; M308-Y313 WeakPolarHBondContact O-CE2 3.44Å; N309-Y313 WeakPolarHBondContact O-CD2 3.22Å; N309-Y313 PolarHBondContact O-N 2.81Å; Q310-Y313 PolarHBondContact O-N 3.2Å; Y313-A315 VanDerWaalsContact C-N 3.32Å; Y313-A315 PolarHBondContact O-N 3Å; Y313-L316 WeakPolarHBondContact O-CB 3.43Å; Y313-L316 PolarHBondContact O-N 3.28Å; Y313-L316 VanDerWaalsContact O-N 3.13Å; Y313-I317 WeakPolarHBondContact O-CB 3.43Å; Y313-I317 VanDerWaalsContact O-CG1 3.28Å; Y313-I317 WeakPolarHBondContact O-CG1 3.28Å; Y313-I317 PolarHBondContact O-N 3.12Å; Y313-A332 WeakPolarHBondContact CD1-O 3.41Å; Y313-M335 HydrophobicContact CE1-CB 4.02Å; Y313-M336 HydrophobicContact CD1-CB 3.92Å; Y313-M336 HydrophobicContact CD2-CB 4.05Å; Y313-M336 HydrophobicContact CD2-CG 4.04Å; Y313-M336 HydrophobicContact CE1-CB 4.15Å; Y313-M336 HydrophobicContact CE2-CB 4.28Å; Y313-M336 HydrophobicContact CG-CB 3.87Å; Y313-M336 HydrophobicContact CG-CG 4.11Å; Y313-M336 HydrophobicContact CG-SD 4.29Å
314	N	90.5	Very high	87.2	Confident	9 Å²	9	34.3 Å²	34.3	5%	0.048	18%	0.176	C	C	.	.	H	α-helix	trans	-55.8	-46.3	175	-75.7	13	0	0	0	111.6	Q310 L318 D360 F362 T363	Q310-N314 VanDerWaalsContact O-CB 3.29Å; Q310-N314 WeakPolarHBondContact O-CB 3.4Å; Q310-N314 PolarHBondContact O-N 3.04Å; Q310-N314 PolarHBondContact O-OD1 3.42Å; N314-L318 VanDerWaalsContact O-CB 3.29Å; N314-L318 WeakPolarHBondContact O-CB 3.13Å; N314-L318 PolarHBondContact O-N 2.89Å; N314-D360 PolarHBondContact ND2-OD1 3.43Å; N314-D360 PolarHBondContact ND2-OD2 3Å; N314-F362 HydrophobicContact CB-CD1 3.61Å; N314-F362 HydrophobicContact CB-CE1 3.6Å; N314-T363 WeakPolarHBondContact OD1-CG2 3.38Å
315	A	90.6	Very high	87.2	Confident	13 Å²	13	28.6 Å²	28.6	11%	0.107	15%	0.152	C	C	.	.	H	α-helix	trans	-66.5	-37.2	177.4	0	0	0	0	0	112.8	F234 F311 T312 Y313 A319	F234-A315 HydrophobicContact CB-CB 3.8Å; F311-A315 WeakPolarHBondContact O-CB 3.4Å; F311-A315 PolarHBondContact O-N 2.9Å; F311-A315 VanDerWaalsContact O-N 3.09Å; T312-A315 PolarHBondContact O-N 3.25Å; Y313-A315 VanDerWaalsContact C-N 3.32Å; Y313-A315 PolarHBondContact O-N 3Å; A315-A319 PolarHBondContact O-N 3.09Å
316	L	93.3	Very high	87.2	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-64.9	-50.9	174.5	170.3	64.2	0	0	0	111.4	F234 V294 W298 T312 Y313 L318 A319 L320 A332	F234-L316 HydrophobicContact CD1-CB 4.43Å; F234-L316 HydrophobicContact CD1-CD1 4.01Å; F234-L316 HydrophobicContact CD2-CB 4.19Å; F234-L316 HydrophobicContact CE1-CB 4.49Å; F234-L316 HydrophobicContact CE1-CD1 3.61Å; F234-L316 HydrophobicContact CE2-CB 4.24Å; F234-L316 HydrophobicContact CG-CB 4.29Å; F234-L316 HydrophobicContact CZ-CB 4.39Å; F234-L316 HydrophobicContact CZ-CD1 3.94Å; V294-L316 HydrophobicContact CG1-CD1 3.58Å; W298-L316 HydrophobicContact CB-CD1 4.31Å; W298-L316 HydrophobicContact CD2-CD1 4.19Å; W298-L316 HydrophobicContact CD2-CD2 3.77Å; W298-L316 HydrophobicContact CE3-CD1 4.24Å; W298-L316 HydrophobicContact CE3-CD2 4.34Å; W298-L316 HydrophobicContact CG-CD1 4.24Å; W298-L316 HydrophobicContact CG-CD2 3.94Å; W298-L316 HydrophobicContact CZ2-CD2 4.12Å; T312-L316 WeakPolarHBondContact O-CB 3.33Å; T312-L316 PolarHBondContact O-N 2.9Å; Y313-L316 WeakPolarHBondContact O-CB 3.43Å; Y313-L316 PolarHBondContact O-N 3.28Å; Y313-L316 VanDerWaalsContact O-N 3.13Å; L316-L318 VanDerWaalsContact C-N 3.28Å; L316-L318 PolarHBondContact O-N 3.21Å; L316-A319 WeakPolarHBondContact O-CB 3.38Å; L316-A319 PolarHBondContact O-N 2.97Å; L316-A319 VanDerWaalsContact O-N 3.09Å; L316-L320 HydrophobicContact CD1-CD1 3.89Å; L316-L320 HydrophobicContact CD1-CG 4.18Å; L316-L320 HydrophobicContact CG-CD1 4.03Å; L316-L320 WeakPolarHBondContact O-CG 3.39Å; L316-L320 PolarHBondContact O-N 3.01Å; L316-A332 HydrophobicContact CD2-CB 3.97Å; L316-A332 HydrophobicContact CG-CB 4.31Å
317	I	92.5	Very high	87.2	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-59.9	-42.3	177.6	-64.4	166.6	0	0	0	109.4	Y313 A319 L320 A321 C329 A332 L333 T363 S366 V367	Y313-I317 WeakPolarHBondContact O-CB 3.43Å; Y313-I317 VanDerWaalsContact O-CG1 3.28Å; Y313-I317 WeakPolarHBondContact O-CG1 3.28Å; Y313-I317 PolarHBondContact O-N 3.12Å; I317-A319 VanDerWaalsContact C-N 3.34Å; I317-A319 PolarHBondContact O-N 3.28Å; I317-L320 PolarHBondContact O-N 3.14Å; I317-A321 WeakPolarHBondContact O-CB 3.49Å; I317-A321 PolarHBondContact O-N 3.22Å; I317-C329 HydrophobicContact CG2-CB 4.16Å; I317-A332 HydrophobicContact CG1-CB 3.75Å; I317-L333 HydrophobicContact CD1-CB 4.49Å; I317-T363 HydrophobicContact CD1-CG2 4.45Å; I317-S366 WeakPolarHBondContact CG2-OG 3.17Å; I317-V367 HydrophobicContact CG2-CG2 3.73Å
318	L	91.3	Very high	87.5	Confident	19 Å²	19	17.1 Å²	17.1	10%	0.099	8%	0.084	C	C	.	.	H	α-helix	trans	-58.9	-43.4	174.3	179.1	65.1	0	0	0	112.3	F96 A238 N314 L316 A321 K322 F362	F96-L318 HydrophobicContact CD1-CD1 4.05Å; F96-L318 HydrophobicContact CE1-CD1 3.87Å; A238-L318 HydrophobicContact CB-CD2 4.29Å; A238-L318 HydrophobicContact CB-CG 4.2Å; N314-L318 VanDerWaalsContact O-CB 3.29Å; N314-L318 WeakPolarHBondContact O-CB 3.13Å; N314-L318 PolarHBondContact O-N 2.89Å; L316-L318 VanDerWaalsContact C-N 3.28Å; L316-L318 PolarHBondContact O-N 3.21Å; L318-A321 PolarHBondContact O-N 3.23Å; L318-K322 HydrophobicContact CD1-CG 4.27Å; L318-K322 WeakPolarHBondContact O-CB 3.36Å; L318-K322 WeakPolarHBondContact O-CG 3.41Å; L318-K322 PolarHBondContact O-N 3.43Å; L318-F362 HydrophobicContact CB-CE1 4.39Å; L318-F362 HydrophobicContact CB-CZ 4.28Å; L318-F362 HydrophobicContact CD2-CZ 4.04Å
319	A	91.2	Very high	87.5	Confident	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-64.6	-44.7	179	0	0	0	0	0	111.7	A238 I241 V294 A315 L316 I317 A323	A238-A319 HydrophobicContact CB-CB 3.89Å; I241-A319 WeakPolarHBondContact CD1-O 3.43Å; V294-A319 HydrophobicContact CG1-CB 4.38Å; V294-A319 HydrophobicContact CG2-CB 3.93Å; A315-A319 PolarHBondContact O-N 3.09Å; L316-A319 WeakPolarHBondContact O-CB 3.38Å; L316-A319 PolarHBondContact O-N 2.97Å; L316-A319 VanDerWaalsContact O-N 3.09Å; I317-A319 VanDerWaalsContact C-N 3.34Å; I317-A319 PolarHBondContact O-N 3.28Å; A319-A323 PolarHBondContact O-N 3.37Å
320	L	90.5	Very high	87.6	Confident	0 Å²	0	15 Å²	15	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-66.1	-38.8	176.6	-65.8	172	0	0	0	111.7	L291 V294 Y295 W298 L316 I317 A323 G324 D325 G328 A332	L291-L320 HydrophobicContact CD1-CD2 4.03Å; V294-L320 HydrophobicContact CG1-CD2 4Å; V294-L320 HydrophobicContact CG1-CG 4.32Å; Y295-L320 HydrophobicContact CE1-CD2 4.33Å; Y295-L320 HydrophobicContact CE2-CD2 3.99Å; W298-L320 HydrophobicContact CE3-CD1 4.42Å; W298-L320 HydrophobicContact CZ3-CD1 3.99Å; L316-L320 HydrophobicContact CD1-CD1 3.89Å; L316-L320 HydrophobicContact CD1-CG 4.18Å; L316-L320 HydrophobicContact CG-CD1 4.03Å; L316-L320 WeakPolarHBondContact O-CG 3.39Å; L316-L320 PolarHBondContact O-N 3.01Å; I317-L320 PolarHBondContact O-N 3.14Å; L320-A323 CarbonylContact O-C 3.48Å; L320-A323 WeakPolarHBondContact O-CB 3.44Å; L320-A323 PolarHBondContact O-N 3.11Å; L320-G324 PolarHBondContact O-N 3.15Å; L320-D325 PolarHBondContact O-N 2.95Å; L320-G328 WeakPolarHBondContact CD1-O 3.46Å; L320-A332 HydrophobicContact CD1-CB 4.21Å
321	A	90.3	Very high	87.4	Confident	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-65.3	-47.1	178	0	0	0	0	0	111.5	I317 L318 A323 G324 C329 S366 S370 P373	I317-A321 WeakPolarHBondContact O-CB 3.49Å; I317-A321 PolarHBondContact O-N 3.22Å; L318-A321 PolarHBondContact O-N 3.23Å; A321-A323 PolarHBondContact O-N 3.41Å; A321-G324 PolarHBondContact O-N 2.87Å; A321-C329 VanDerWaalsContact CA-SG 3.55Å; A321-C329 PolarHBondContact N-SG 3.31Å; A321-S366 WeakPolarHBondContact CB-O 3.35Å; A321-S370 VanDerWaalsContact CA-CB 3.49Å; A321-S370 WeakPolarHBondContact O-CA 2.99Å; A321-P373 WeakPolarHBondContact O-CG 3.29Å
322	K	88.2	Confident	87.4	Confident	30 Å²	30	7.2 Å²	7.2	13%	0.13	4%	0.038	C	C	.	.	H	α-helix	trans	-58.3	-33.3	174.4	-77.1	-172.2	174.9	-173.4	0	111.4	A238 E239 I241 A242 F245 L318 G324	A238-K322 HydrophobicContact CB-CD 4.04Å; A238-K322 WeakPolarHBondContact O-CD 3.23Å; E239-K322 IonicContact OE2-NZ 3.09Å; E239-K322 PolarHBondContact OE2-NZ 3.07Å; I241-K322 HydrophobicContact CB-CB 4.48Å; I241-K322 HydrophobicContact CG2-CB 3.96Å; A242-K322 HydrophobicContact CB-CD 4.14Å; F245-K322 WeakPolarHBondContact CE2-O 3.34Å; F245-K322 WeakPolarHBondContact CZ-O 3.33Å; L318-K322 HydrophobicContact CD1-CG 4.27Å; L318-K322 WeakPolarHBondContact O-CB 3.36Å; L318-K322 WeakPolarHBondContact O-CG 3.41Å; L318-K322 PolarHBondContact O-N 3.43Å; K322-G324 VanDerWaalsContact C-N 3.25Å; K322-G324 PolarHBondContact O-N 2.73Å
323	A	84.5	Confident	87.3	Confident	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-3.4	173.9	0	0	0	0	0	114.7	I241 F286 L291 A319 L320 A321 D325	I241-A323 HydrophobicContact CD1-CB 4.24Å; I241-A323 HydrophobicContact CG2-CB 4.2Å; F286-A323 WeakPolarHBondContact CD1-O 3.43Å; F286-A323 WeakPolarHBondContact CE1-O 3.46Å; L291-A323 HydrophobicContact CD1-CB 3.66Å; L291-A323 HydrophobicContact CD2-CB 4.12Å; L291-A323 HydrophobicContact CG-CB 4.31Å; A319-A323 PolarHBondContact O-N 3.37Å; L320-A323 CarbonylContact O-C 3.48Å; L320-A323 WeakPolarHBondContact O-CB 3.44Å; L320-A323 PolarHBondContact O-N 3.11Å; A321-A323 PolarHBondContact O-N 3.41Å; A323-D325 VanDerWaalsContact C-N 3.3Å; A323-D325 PolarHBondContact O-N 3.2Å
324	G	82.7	Confident	86.9	Confident	5 Å²	5	7.8 Å²	7.8	5%	0.052	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	22.6	-177.7	0	0	0	0	0	114.2	L320 A321 K322 I326 A374	L320-G324 PolarHBondContact O-N 3.15Å; A321-G324 PolarHBondContact O-N 2.87Å; K322-G324 VanDerWaalsContact C-N 3.25Å; K322-G324 PolarHBondContact O-N 2.73Å; G324-I326 PolarHBondContact O-N 3.5Å; G324-A374 WeakPolarHBondContact O-CB 3.39Å
325	D	84.2	Confident	86.5	Confident	4 Å²	4	9.1 Å²	9.1	2%	0.021	5%	0.048	C	C	.	.			trans	-95.5	83.6	177.9	-165.8	-16.1	0	0	0	111.1	Y295 L320 A323 H327 G328 C329	Y295-D325 PolarHBondContact OH-OD2 3.22Å; L320-D325 PolarHBondContact O-N 2.95Å; A323-D325 VanDerWaalsContact C-N 3.3Å; A323-D325 PolarHBondContact O-N 3.2Å; D325-H327 PolarHBondContact O-N 3.44Å; D325-H327 PolarHBondContact OD1-N 3.23Å; D325-G328 PolarHBondContact O-N 3.37Å; D325-G328 PolarHBondContact OD1-N 3.41Å; D325-C329 PolarHBondContact O-N 3.43Å; D325-C329 PolarHBondContact O-SG 3.43Å
326	I	82.1	Confident	86.2	Confident	13 Å²	13	8.6 Å²	8.6	7%	0.067	4%	0.043	C	C	.	.	H	α-helix	trans	-59.2	-39.6	179	-60	153.2	0	0	0	110.6	G324 C329 L330 A374 L408	G324-I326 PolarHBondContact O-N 3.5Å; I326-C329 WeakPolarHBondContact O-CB 3.24Å; I326-C329 PolarHBondContact O-N 2.84Å; I326-L330 HydrophobicContact CG2-CD1 4.2Å; I326-L330 HydrophobicContact CG2-CG 4.46Å; I326-L330 WeakPolarHBondContact O-CG 3.41Å; I326-L330 PolarHBondContact O-N 2.98Å; I326-A374 HydrophobicContact CD1-CB 3.39Å; I326-A374 HydrophobicContact CG1-CB 3.84Å; I326-L408 HydrophobicContact CD1-CD2 3.43Å; I326-L408 VanDerWaalsContact CD1-CD2 3.43Å; I326-L408 HydrophobicContact CG1-CD2 4.36Å
327	H	81.4	Confident	85.5	Confident	33 Å²	33	9.7 Å²	9.7	15%	0.153	5%	0.049	C	C	.	.	H	α-helix	trans	-65.7	-44.4	-179.9	-63.1	-88.5	0	0	0	111.7	D325 C329 L330 R331 F400 F462	D325-H327 PolarHBondContact O-N 3.44Å; D325-H327 PolarHBondContact OD1-N 3.23Å; H327-C329 VanDerWaalsContact C-N 3.28Å; H327-C329 PolarHBondContact O-N 2.95Å; H327-L330 PolarHBondContact O-N 3.4Å; H327-R331 WeakPolarHBondContact O-CG 3.5Å; H327-R331 PolarHBondContact O-N 3.35Å; H327-R331 PolarHBondContact O-NH1 2.95Å; H327-F400 AromaticContact CE1-CD2 3.11Å; H327-F400 WeakPolarHBondContact CE1-CD2 3.38Å; H327-F400 AromaticContact CE1-CE2 3.21Å; H327-F400 WeakPolarHBondContact CE1-CE2 3.31Å; H327-F400 AromaticContact CE1-CG 3.88Å; H327-F400 AromaticContact ND1-CE2 3.85Å; H327-F400 AromaticContact NE2-CD2 3.55Å; H327-F400 AromaticContact NE2-CG 3.89Å; H327-F462 HydrophobicContact CB-CE2 4.48Å; H327-F462 AromaticContact ND1-CE2 3.93Å
328	G	84.2	Confident	84.6	Confident	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-58.3	-42	173.3	0	0	0	0	0	111.9	L320 D325 A332	L320-G328 WeakPolarHBondContact CD1-O 3.46Å; D325-G328 PolarHBondContact O-N 3.37Å; D325-G328 PolarHBondContact OD1-N 3.41Å; G328-A332 WeakPolarHBondContact O-CB 3.46Å; G328-A332 PolarHBondContact O-N 3.5Å
329	C	87.1	Confident	83.2	Confident	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61.4	-48.7	176.9	-63.5	0	0	0	0	112.1	I317 A321 D325 I326 H327 A332 L333 V367	I317-C329 HydrophobicContact CG2-CB 4.16Å; A321-C329 VanDerWaalsContact CA-SG 3.55Å; A321-C329 PolarHBondContact N-SG 3.31Å; D325-C329 PolarHBondContact O-N 3.43Å; D325-C329 PolarHBondContact O-SG 3.43Å; I326-C329 WeakPolarHBondContact O-CB 3.24Å; I326-C329 PolarHBondContact O-N 2.84Å; H327-C329 VanDerWaalsContact C-N 3.28Å; H327-C329 PolarHBondContact O-N 2.95Å; C329-A332 PolarHBondContact O-N 3.47Å; C329-L333 WeakPolarHBondContact O-CB 3.27Å; C329-L333 PolarHBondContact O-N 2.92Å; C329-V367 HydrophobicContact CB-CG2 4.41Å
330	L	84.8	Confident	81.4	Confident	14 Å²	14	16.9 Å²	16.9	7%	0.073	9%	0.093	C	C	.	.	H	α-helix	trans	-64.8	-41	179.6	-68.9	176.5	0	0	0	112.1	I326 H327 A332 L333 D334 L412 F462	I326-L330 HydrophobicContact CG2-CD1 4.2Å; I326-L330 HydrophobicContact CG2-CG 4.46Å; I326-L330 WeakPolarHBondContact O-CG 3.41Å; I326-L330 PolarHBondContact O-N 2.98Å; H327-L330 PolarHBondContact O-N 3.4Å; L330-A332 PolarHBondContact O-N 3.14Å; L330-L333 WeakPolarHBondContact O-CB 3.4Å; L330-L333 PolarHBondContact O-N 3.47Å; L330-D334 PolarHBondContact O-N 2.89Å; L330-L412 HydrophobicContact CD1-CD2 4.46Å; L330-L412 HydrophobicContact CD2-CD2 3.84Å; L330-F462 HydrophobicContact CB-CD2 4.22Å
331	R	81.8	Confident	79.4	Confident	4 Å²	4	21.4 Å²	21.4	2%	0.015	12%	0.117	C	C	.	.	H	α-helix	trans	-63.2	-42.6	174.1	-72	-163.8	-51.9	-77.2	-0.4	112.4	Y295 W298 H327 L333 D334 M335 F462 L478	Y295-R331 PolarHBondContact OH-NH2 3.21Å; W298-R331 HydrophobicContact CH2-CB 4.18Å; H327-R331 WeakPolarHBondContact O-CG 3.5Å; H327-R331 PolarHBondContact O-N 3.35Å; H327-R331 PolarHBondContact O-NH1 2.95Å; R331-L333 PolarHBondContact O-N 2.95Å; R331-D334 PolarHBondContact O-N 3.37Å; R331-M335 WeakPolarHBondContact O-CG 3.35Å; R331-M335 PolarHBondContact O-N 2.73Å; R331-F462 HydrophobicContact CG-CD1 4.43Å; R331-F462 HydrophobicContact CG-CD2 4.44Å; R331-F462 HydrophobicContact CG-CE1 4.34Å; R331-F462 HydrophobicContact CG-CE2 4.33Å; R331-F462 HydrophobicContact CG-CG 4.49Å; R331-F462 HydrophobicContact CG-CZ 4.29Å; R331-L478 WeakPolarHBondContact CD-O 3.44Å
332	A	86.1	Confident	77.3	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63	-35.8	176.5	0	0	0	0	0	111.4	W298 Y313 L316 I317 L320 G328 C329 L330 M336	W298-A332 HydrophobicContact CH2-CB 3.94Å; W298-A332 HydrophobicContact CZ2-CB 4.06Å; Y313-A332 WeakPolarHBondContact CD1-O 3.41Å; L316-A332 HydrophobicContact CD2-CB 3.97Å; L316-A332 HydrophobicContact CG-CB 4.31Å; I317-A332 HydrophobicContact CG1-CB 3.75Å; L320-A332 HydrophobicContact CD1-CB 4.21Å; G328-A332 WeakPolarHBondContact O-CB 3.46Å; G328-A332 PolarHBondContact O-N 3.5Å; C329-A332 PolarHBondContact O-N 3.47Å; L330-A332 PolarHBondContact O-N 3.14Å; A332-M336 WeakPolarHBondContact O-CB 3.32Å; A332-M336 PolarHBondContact O-N 2.67Å
333	L	85.3	Confident	75.1	Confident	2 Å²	2	30 Å²	30	1%	0.01	17%	0.168	C	C	.	.	H	α-helix	trans	-68.1	-46	174	-172	150	0	0	0	111.9	I317 C329 L330 R331 M335 M336 L337 V367 L416 L419 Y459	I317-L333 HydrophobicContact CD1-CB 4.49Å; C329-L333 WeakPolarHBondContact O-CB 3.27Å; C329-L333 PolarHBondContact O-N 2.92Å; L330-L333 WeakPolarHBondContact O-CB 3.4Å; L330-L333 PolarHBondContact O-N 3.47Å; R331-L333 PolarHBondContact O-N 2.95Å; L333-M335 VanDerWaalsContact C-N 3.29Å; L333-M335 PolarHBondContact O-N 3.36Å; L333-M336 WeakPolarHBondContact O-CA 3.26Å; L333-M336 WeakPolarHBondContact O-CB 3.43Å; L333-M336 PolarHBondContact O-N 3.42Å; L333-M336 VanDerWaalsContact O-N 3.08Å; L333-L337 HydrophobicContact CD2-CD1 3.54Å; L333-L337 HydrophobicContact CD2-CG 4.09Å; L333-L337 WeakPolarHBondContact O-CG 3.11Å; L333-L337 PolarHBondContact O-N 3.07Å; L333-V367 HydrophobicContact CD1-CG2 4.35Å; L333-L416 HydrophobicContact CD1-CD2 3.36Å; L333-L419 HydrophobicContact CD2-CD1 4.23Å; L333-Y459 HydrophobicContact CD2-CE2 4.1Å; L333-Y459 VanDerWaalsContact CD2-OH 3.26Å; L333-Y459 WeakPolarHBondContact CD2-OH 3.25Å
334	D	81.7	Confident	72.7	Confident	18 Å²	18	38.1 Å²	38.1	10%	0.096	20%	0.199	C	C	.	.	H	α-helix	trans	-61.8	-37.6	174.5	-79.7	-44.7	0	0	0	112.1	L330 R331 M336 L337 A338 Y459 F462	L330-D334 PolarHBondContact O-N 2.89Å; R331-D334 PolarHBondContact O-N 3.37Å; D334-M336 VanDerWaalsContact C-N 3.34Å; D334-L337 CarbonylContact O-C 3.57Å; D334-L337 PolarHBondContact O-N 3.35Å; D334-A338 WeakPolarHBondContact O-CB 3.34Å; D334-A338 PolarHBondContact O-N 3.31Å; D334-Y459 PolarHBondContact OD1-OH 2.85Å; D334-F462 WeakPolarHBondContact OD2-CA 3.46Å; D334-F462 WeakPolarHBondContact OD2-CB 3.38Å; D334-F462 PolarHBondContact OD2-N 2.89Å
335	M	82.5	Confident	70.3	Confident	36 Å²	36	47 Å²	47	18%	0.177	24%	0.237	C	C	.	.	H	α-helix	trans	-65.4	-39.4	173.1	-72.4	-165.9	82	0	0	111.7	W298 T302 Y313 R331 L333 L337 A338 T339 I479	W298-M335 HydrophobicContact CZ2-SD 3.51Å; W298-M335 VanDerWaalsContact CZ2-SD 3.51Å; T302-M335 HydrophobicContact CG2-CE 3.9Å; Y313-M335 HydrophobicContact CE1-CB 4.02Å; R331-M335 WeakPolarHBondContact O-CG 3.35Å; R331-M335 PolarHBondContact O-N 2.73Å; L333-M335 VanDerWaalsContact C-N 3.29Å; L333-M335 PolarHBondContact O-N 3.36Å; M335-L337 VanDerWaalsContact C-N 3.34Å; M335-A338 PolarHBondContact O-N 3.4Å; M335-T339 WeakPolarHBondContact O-CG2 3.1Å; M335-T339 PolarHBondContact O-N 2.99Å; M335-I479 HydrophobicContact CG-CG2 3.6Å; M335-I479 HydrophobicContact SD-CG2 4.24Å
336	M	84.4	Confident	68	Low	2 Å²	2	51.7 Å²	51.7	1%	0.01	27%	0.269	C	S	.	.	H	α-helix	trans	-60	-44.6	174	-179.6	175.4	159.3	0	0	110.8	Q310 Y313 A332 L333 D334 T339 L357 V358 T363	Q310-M336 HydrophobicContact CG-CE 3.96Å; Y313-M336 HydrophobicContact CD1-CB 3.92Å; Y313-M336 HydrophobicContact CD2-CB 4.05Å; Y313-M336 HydrophobicContact CD2-CG 4.04Å; Y313-M336 HydrophobicContact CE1-CB 4.15Å; Y313-M336 HydrophobicContact CE2-CB 4.28Å; Y313-M336 HydrophobicContact CG-CB 3.87Å; Y313-M336 HydrophobicContact CG-CG 4.11Å; Y313-M336 HydrophobicContact CG-SD 4.29Å; A332-M336 WeakPolarHBondContact O-CB 3.32Å; A332-M336 PolarHBondContact O-N 2.67Å; L333-M336 WeakPolarHBondContact O-CA 3.26Å; L333-M336 WeakPolarHBondContact O-CB 3.43Å; L333-M336 PolarHBondContact O-N 3.42Å; L333-M336 VanDerWaalsContact O-N 3.08Å; D334-M336 VanDerWaalsContact C-N 3.34Å; M336-T339 PolarHBondContact O-OG1 2.98Å; M336-L357 HydrophobicContact CE-CB 4.22Å; M336-L357 WeakPolarHBondContact CE-O 3.29Å; M336-L357 HydrophobicContact CG-CB 4.21Å; M336-V358 WeakPolarHBondContact CE-O 3.4Å; M336-T363 HydrophobicContact CE-CG2 4.47Å; M336-T363 HydrophobicContact SD-CG2 4.38Å
337	L	78.9	Confident	65.4	Low	23 Å²	23	60 Å²	60	12%	0.12	31%	0.308	C	S	.	.	H	α-helix	trans	-72.9	-33.2	176.7	-62.8	178.6	0	0	0	113.2	L333 D334 M335 T339 E340 L419 Y459	L333-L337 HydrophobicContact CD2-CD1 3.54Å; L333-L337 HydrophobicContact CD2-CG 4.09Å; L333-L337 WeakPolarHBondContact O-CG 3.11Å; L333-L337 PolarHBondContact O-N 3.07Å; D334-L337 CarbonylContact O-C 3.57Å; D334-L337 PolarHBondContact O-N 3.35Å; M335-L337 VanDerWaalsContact C-N 3.34Å; L337-T339 VanDerWaalsContact C-N 3.34Å; L337-T339 PolarHBondContact O-N 3.33Å; L337-E340 WeakPolarHBondContact O-CB 3.43Å; L337-E340 VanDerWaalsContact O-CD 3.31Å; L337-E340 WeakPolarHBondContact O-CG 3.13Å; L337-E340 PolarHBondContact O-N 2.9Å; L337-L419 HydrophobicContact CD1-CD1 4.16Å; L337-L419 HydrophobicContact CD1-CD2 4.21Å; L337-Y459 HydrophobicContact CD1-CD1 4.4Å; L337-Y459 HydrophobicContact CD1-CE1 3.78Å
338	A	73.7	Confident	63	Low	46 Å²	46	62.2 Å²	62.2	38%	0.38	34%	0.339	S	S	.	.	H	α-helix	trans	-73	-25.9	-177.3	0	0	0	0	0	113.2	D334 M335 E340 N341	D334-A338 WeakPolarHBondContact O-CB 3.34Å; D334-A338 PolarHBondContact O-N 3.31Å; M335-A338 PolarHBondContact O-N 3.4Å; A338-E340 PolarHBondContact O-N 3.15Å; A338-N341 PolarHBondContact O-N 3.5Å
339	T	62.6	Low	60.4	Low	49 Å²	49	67.9 Å²	67.9	30%	0.301	38%	0.379	S	S	.	.	H	α-helix	trans	-56.3	-19.2	171.5	59.5	0	0	0	0	112.5	M335 M336 L337 N341 L357	M335-T339 WeakPolarHBondContact O-CG2 3.1Å; M335-T339 PolarHBondContact O-N 2.99Å; M336-T339 PolarHBondContact O-OG1 2.98Å; L337-T339 VanDerWaalsContact C-N 3.34Å; L337-T339 PolarHBondContact O-N 3.33Å; T339-N341 PolarHBondContact O-N 3.41Å; T339-L357 VanDerWaalsContact OG1-CD1 3.27Å; T339-L357 WeakPolarHBondContact OG1-CD1 3.49Å
340	E	53.3	Low	57.6	Low	75 Å²	75	75.1 Å²	75.1	35%	0.35	42%	0.423	S	S	.	.	H	α-helix	trans	-66.5	-29.5	172.9	-58.8	176.5	172.8	0	0	114.4	L337 A338	L337-E340 WeakPolarHBondContact O-CB 3.43Å; L337-E340 VanDerWaalsContact O-CD 3.31Å; L337-E340 WeakPolarHBondContact O-CG 3.13Å; L337-E340 PolarHBondContact O-N 2.9Å; A338-E340 PolarHBondContact O-N 3.15Å
341	N	47.5	Very low	54.9	Low	95 Å²	95	77.9 Å²	77.9	51%	0.508	46%	0.455	S	S	.	.	H	α-helix	trans	-93.5	-30.8	-168.9	-74.9	-28.6	0	0	0	113.9	A338 T339	A338-N341 PolarHBondContact O-N 3.5Å; T339-N341 PolarHBondContact O-N 3.41Å
342	S	46.3	Very low	52.4	Low	93 Å²	93	83.3 Å²	83.3	65%	0.65	49%	0.492	S	S	*	.	H	α-helix	trans	-71.7	-38.3	-175.3	-164.7	0	0	0	0	112.6	R344 F345	S342-R344 VanDerWaalsContact C-N 3.29Å; S342-R344 PolarHBondContact O-N 3.33Å; S342-F345 PolarHBondContact O-N 2.99Å
343	E	42.5	Very low	49.8	Very low	117 Å²	117	93.2 Å²	93.2	55%	0.547	54%	0.535	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-11.2	-178	-66.7	-168.1	170.4	0	0	114.2	F345 N354	E343-F345 PolarHBondContact O-N 3.44Å; E343-N354 PolarHBondContact OE2-ND2 2.94Å
344	R	34.1	Very low	47.4	Very low	172 Å²	172	97.7 Å²	97.7	65%	0.649	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	-24.5	173.3	-72.3	-173.1	-179.3	-174	2.3	112.9	S342	S342-R344 VanDerWaalsContact C-N 3.29Å; S342-R344 PolarHBondContact O-N 3.33Å
345	F	32.8	Very low	45.8	Very low	191 Å²	191	106.2 Å²	106.2	84%	0.838	60%	0.595	S	S	*	*	S	Bend	trans	-95.9	-11.8	-177	-73.9	-75.1	0	0	0	114.7	S342 E343 Q347	S342-F345 PolarHBondContact O-N 2.99Å; E343-F345 PolarHBondContact O-N 3.44Å; F345-Q347 PolarHBondContact O-N 3.43Å; F345-Q347 VanDerWaalsContact O-N 3.15Å
346	S	35.2	Very low	44.5	Very low	102 Å²	102	114 Å²	114	71%	0.713	62%	0.623	S	S	*	*			trans	-89.5	63.9	169.2	-65.2	0	0	0	0	110.6	G348	S346-G348 PolarHBondContact O-N 3.12Å; S346-G348 VanDerWaalsContact O-N 3.07Å
347	Q	27.9	Very low	43.7	Very low	189 Å²	189	115.5 Å²	115.5	88%	0.883	63%	0.631	S	S	*	*			trans	-59.8	108	161.5	-76.9	-177.5	-12.8	0	0	108.7	F345	F345-Q347 PolarHBondContact O-N 3.43Å; F345-Q347 VanDerWaalsContact O-N 3.15Å
348	G	30.5	Very low	43.5	Very low	78 Å²	78	116.5 Å²	116.5	80%	0.804	64%	0.637	S	S	*	*			trans	141.6	41.1	168	0	0	0	0	0	116.8	S346	S346-G348 PolarHBondContact O-N 3.12Å; S346-G348 VanDerWaalsContact O-N 3.07Å
349	S	29.3	Very low	43.7	Very low	120 Å²	120	114.5 Å²	114.5	84%	0.839	62%	0.621	S	S	*	*			trans	-152.7	120.7	152.8	-162.3	0	0	0	0	111.4
350	V	28.3	Very low	44.6	Very low	152 Å²	152	113.7 Å²	113.7	92%	0.921	61%	0.614	S	S	*	*			trans	-73	127.1	179.8	174.3	0	0	0	0	108.8
351	G	28.9	Very low	46.1	Very low	72 Å²	72	111.4 Å²	111.4	74%	0.742	61%	0.607	S	S	*	*			trans	143.5	-4.4	151.2	0	0	0	0	0	120.8
352	C	28.7	Very low	47.9	Very low	117 Å²	117	108.7 Å²	108.7	79%	0.791	59%	0.591	S	S	*	*			trans	-114.6	114.9	167.9	-98.4	0	0	0	0	109.5	N354	C352-N354 PolarHBondContact O-N 3.01Å; C352-N354 PolarHBondContact O-OD1 3.48Å
353	K	31.5	Very low	49.7	Very low	208 Å²	208	104.3 Å²	104.3	90%	0.904	56%	0.56	S	S	*	*			trans	-63.5	101.4	170.1	-66.8	175.6	178.7	177	0	107.3	K355	K353-K355 PolarHBondContact O-N 3.24Å
354	N	35.6	Very low	51.8	Low	97 Å²	97	98.7 Å²	98.7	52%	0.519	53%	0.534	S	S	.	.			trans	-53.3	104.9	177.1	-76.8	13.4	0	0	0	109.7	E343 C352 W356	E343-N354 PolarHBondContact OE2-ND2 2.94Å; C352-N354 PolarHBondContact O-N 3.01Å; C352-N354 PolarHBondContact O-OD1 3.48Å; N354-W356 PolarHBondContact O-N 2.8Å
355	K	47.5	Very low	54.3	Low	196 Å²	196	90.8 Å²	90.8	85%	0.852	50%	0.504	S	S	*	.			trans	-72	117.1	164.1	-87.6	-178.3	176.2	176.7	0	106.2	K353 L357	K353-K355 PolarHBondContact O-N 3.24Å; K355-L357 PolarHBondContact O-N 3.31Å
356	W	54.6	Low	56.9	Low	201 Å²	201	81.7 Å²	81.7	76%	0.761	46%	0.464	S	S	*	.			trans	-60.1	126.3	175.2	-62.6	35.8	0	0	0	107.5	N354 V358	N354-W356 PolarHBondContact O-N 2.8Å; W356-V358 VanDerWaalsContact C-N 3.29Å; W356-V358 HydrophobicContact CB-CG2 4.15Å; W356-V358 PolarHBondContact O-N 3.23Å
357	L	68.9	Low	59.4	Low	33 Å²	33	76.8 Å²	76.8	17%	0.173	43%	0.43	C	S	.	.			trans	-81.9	78.3	179.9	-74.4	161.8	0	0	0	109	Q310 M336 T339 K355	Q310-L357 HydrophobicContact CB-CD2 3.64Å; M336-L357 HydrophobicContact CE-CB 4.22Å; M336-L357 WeakPolarHBondContact CE-O 3.29Å; M336-L357 HydrophobicContact CG-CB 4.21Å; T339-L357 VanDerWaalsContact OG1-CD1 3.27Å; T339-L357 WeakPolarHBondContact OG1-CD1 3.49Å; K355-L357 PolarHBondContact O-N 3.31Å
358	V	73.1	Confident	62.2	Low	43 Å²	43	67.8 Å²	67.8	26%	0.261	39%	0.388	S	S	.	.			trans	-82.5	134.2	179.7	-177	0	0	0	0	109.6	Q310 M336 W356 D360	Q310-V358 PolarHBondContact NE2-O 3.17Å; M336-V358 WeakPolarHBondContact CE-O 3.4Å; W356-V358 VanDerWaalsContact C-N 3.29Å; W356-V358 HydrophobicContact CB-CG2 4.15Å; W356-V358 PolarHBondContact O-N 3.23Å; V358-D360 PolarHBondContact O-N 2.96Å
359	P	79	Confident	64.9	Low	4 Å²	4	65.4 Å²	65.4	3%	0.026	36%	0.359	C	S	.	.			trans	-60.6	122.2	169.6	22.5	-29.5	0	0	0	110	T363 L419 S420	P359-T363 WeakPolarHBondContact CA-OG1 3.43Å; P359-T363 HydrophobicContact CB-CG2 4.18Å; P359-T363 WeakPolarHBondContact CB-OG1 3.36Å; P359-L419 HydrophobicContact CG-CB 3.58Å; P359-S420 VanDerWaalsContact O-CA 3.26Å; P359-S420 WeakPolarHBondContact O-CA 3.42Å; P359-S420 WeakPolarHBondContact O-CB 3.12Å
360	D	81.9	Confident	67.6	Low	32 Å²	32	59.7 Å²	59.7	17%	0.171	32%	0.319	C	S	.	.			trans	-89	174.2	178.6	54	17.4	0	0	0	112	Q310 N314 V358 F362 T363 I364	Q310-D360 VanDerWaalsContact NE2-CG 3.3Å; Q310-D360 PolarHBondContact NE2-OD2 3.16Å; N314-D360 PolarHBondContact ND2-OD1 3.43Å; N314-D360 PolarHBondContact ND2-OD2 3Å; V358-D360 PolarHBondContact O-N 2.96Å; D360-F362 PolarHBondContact O-N 3.28Å; D360-F362 WeakPolarHBondContact OD1-CB 3.41Å; D360-F362 PolarHBondContact OD1-N 3.22Å; D360-T363 PolarHBondContact N-OG1 3.06Å; D360-T363 VanDerWaalsContact N-OG1 3.16Å; D360-T363 PolarHBondContact O-N 3.15Å; D360-T363 PolarHBondContact O-OG1 3.45Å; D360-T363 WeakPolarHBondContact OD1-CG2 3.47Å; D360-T363 PolarHBondContact OD1-N 3.33Å; D360-I364 PolarHBondContact O-N 2.64Å
361	S	83.7	Confident	70.3	Confident	27 Å²	27	52.5 Å²	52.5	19%	0.189	28%	0.276	C	S	.	.	H	α-helix	trans	-50.1	-30.5	171.2	54.1	0	0	0	0	113.7	T365 D423	S361-T365 PolarHBondContact O-N 3.11Å; S361-T365 VanDerWaalsContact O-N 3.15Å; S361-T365 PolarHBondContact O-OG1 3.41Å; S361-D423 WeakPolarHBondContact CA-O 3.37Å; S361-D423 VanDerWaalsContact CB-O 3.27Å; S361-D423 WeakPolarHBondContact CB-O 3.25Å; S361-D423 PolarHBondContact N-OD2 3.41Å; S361-D423 PolarHBondContact OG-OD2 3.27Å
362	F	84.7	Confident	72.9	Confident	39 Å²	39	50.3 Å²	50.3	17%	0.171	25%	0.246	C	C	.	.	H	α-helix	trans	-69.5	-42.9	176.8	-179.1	-83.5	0	0	0	112.7	F94 F96 N314 L318 D360 I364 T365 S366	F94-F362 HydrophobicContact CD1-CD2 4.4Å; F94-F362 HydrophobicContact CD1-CE2 4.45Å; F94-F362 AromaticContact CE1-CD2 3.81Å; F94-F362 HydrophobicContact CE1-CD2 3.81Å; F94-F362 HydrophobicContact CE1-CE2 4.11Å; F96-F362 HydrophobicContact CE1-CD2 4.43Å; F96-F362 AromaticContact CE1-CE2 3.81Å; F96-F362 HydrophobicContact CE1-CE2 3.81Å; F96-F362 HydrophobicContact CE1-CZ 4.26Å; F96-F362 HydrophobicContact CE2-CE2 4.46Å; F96-F362 AromaticContact CZ-CD2 3.71Å; F96-F362 HydrophobicContact CZ-CD2 3.71Å; F96-F362 AromaticContact CZ-CE2 3.46Å; F96-F362 HydrophobicContact CZ-CE2 3.46Å; F96-F362 VanDerWaalsContact CZ-CE2 3.46Å; F96-F362 HydrophobicContact CZ-CZ 4.31Å; N314-F362 HydrophobicContact CB-CD1 3.61Å; N314-F362 HydrophobicContact CB-CE1 3.6Å; L318-F362 HydrophobicContact CB-CE1 4.39Å; L318-F362 HydrophobicContact CB-CZ 4.28Å; L318-F362 HydrophobicContact CD2-CZ 4.04Å; D360-F362 PolarHBondContact O-N 3.28Å; D360-F362 WeakPolarHBondContact OD1-CB 3.41Å; D360-F362 PolarHBondContact OD1-N 3.22Å; F362-I364 VanDerWaalsContact C-N 3.32Å; F362-I364 PolarHBondContact O-N 2.9Å; F362-T365 PolarHBondContact O-N 3.49Å; F362-S366 WeakPolarHBondContact O-CB 3.14Å; F362-S366 PolarHBondContact O-N 2.78Å; F362-S366 PolarHBondContact O-OG 3.26Å
363	T	84.4	Confident	75.4	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-57.5	-46.7	174.7	57.1	0	0	0	0	110.7	N314 I317 M336 P359 D360 T365 S366 V367	N314-T363 WeakPolarHBondContact OD1-CG2 3.38Å; I317-T363 HydrophobicContact CD1-CG2 4.45Å; M336-T363 HydrophobicContact CE-CG2 4.47Å; M336-T363 HydrophobicContact SD-CG2 4.38Å; P359-T363 WeakPolarHBondContact CA-OG1 3.43Å; P359-T363 HydrophobicContact CB-CG2 4.18Å; P359-T363 WeakPolarHBondContact CB-OG1 3.36Å; D360-T363 PolarHBondContact N-OG1 3.06Å; D360-T363 VanDerWaalsContact N-OG1 3.16Å; D360-T363 PolarHBondContact O-N 3.15Å; D360-T363 PolarHBondContact O-OG1 3.45Å; D360-T363 WeakPolarHBondContact OD1-CG2 3.47Å; D360-T363 PolarHBondContact OD1-N 3.33Å; T363-T365 VanDerWaalsContact C-N 3.3Å; T363-T365 PolarHBondContact O-N 3.08Å; T363-S366 WeakPolarHBondContact CA-OG 3.15Å; T363-S366 PolarHBondContact O-N 3.35Å; T363-S366 PolarHBondContact O-OG 3.22Å; T363-V367 WeakPolarHBondContact O-CG2 3.34Å; T363-V367 PolarHBondContact O-N 3.01Å
364	I	86.8	Confident	77.8	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-55.4	-49.5	176.6	-56.8	-177	0	0	0	110.3	D360 F362 S366 V367 L368 L416 S420	D360-I364 PolarHBondContact O-N 2.64Å; F362-I364 VanDerWaalsContact C-N 3.32Å; F362-I364 PolarHBondContact O-N 2.9Å; I364-S366 PolarHBondContact O-N 3.38Å; I364-V367 PolarHBondContact O-N 2.97Å; I364-L368 HydrophobicContact CG2-CD1 3.7Å; I364-L368 HydrophobicContact CG2-CG 4.19Å; I364-L368 WeakPolarHBondContact O-CB 3.44Å; I364-L368 WeakPolarHBondContact O-CG 3.44Å; I364-L368 PolarHBondContact O-N 3.34Å; I364-L416 HydrophobicContact CG1-CB 4.18Å; I364-L416 HydrophobicContact CG2-CD1 4.48Å; I364-S420 WeakPolarHBondContact CD1-OG 2.92Å
365	T	87	Confident	79.8	Confident	5 Å²	5	31.4 Å²	31.4	3%	0.031	15%	0.149	C	C	.	.	H	α-helix	trans	-63.9	-42.9	-179.2	-71.4	0	0	0	0	112.6	F96 S361 F362 T363 S369 H427 N428 L431	F96-T365 HydrophobicContact CE1-CG2 3.98Å; F96-T365 HydrophobicContact CE2-CG2 3.85Å; F96-T365 HydrophobicContact CZ-CG2 3.54Å; S361-T365 PolarHBondContact O-N 3.11Å; S361-T365 VanDerWaalsContact O-N 3.15Å; S361-T365 PolarHBondContact O-OG1 3.41Å; F362-T365 PolarHBondContact O-N 3.49Å; T363-T365 VanDerWaalsContact C-N 3.3Å; T363-T365 PolarHBondContact O-N 3.08Å; T365-S369 WeakPolarHBondContact O-CB 3.36Å; T365-S369 PolarHBondContact O-N 2.97Å; T365-S369 PolarHBondContact O-OG 2.83Å; T365-H427 WeakPolarHBondContact CB-NE2 3.49Å; T365-H427 VanDerWaalsContact CG2-CD2 3.43Å; T365-H427 WeakPolarHBondContact CG2-CD2 3.48Å; T365-H427 WeakPolarHBondContact CG2-NE2 3.39Å; T365-H427 PolarHBondContact OG1-CD2 3.08Å; T365-H427 PolarHBondContact OG1-NE2 3.21Å; T365-N428 PolarHBondContact OG1-OD1 3.48Å; T365-L431 HydrophobicContact CG2-CD2 4.18Å; T365-L431 WeakPolarHBondContact O-CD2 3.25Å
366	S	86.5	Confident	81.2	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-60.9	-48.3	176.6	67.2	0	0	0	0	110.6	I317 A321 F362 T363 I364 S369 S370	I317-S366 WeakPolarHBondContact CG2-OG 3.17Å; A321-S366 WeakPolarHBondContact CB-O 3.35Å; F362-S366 WeakPolarHBondContact O-CB 3.14Å; F362-S366 PolarHBondContact O-N 2.78Å; F362-S366 PolarHBondContact O-OG 3.26Å; T363-S366 WeakPolarHBondContact CA-OG 3.15Å; T363-S366 PolarHBondContact O-N 3.35Å; T363-S366 PolarHBondContact O-OG 3.22Å; I364-S366 PolarHBondContact O-N 3.38Å; S366-S369 PolarHBondContact O-N 2.72Å; S366-S369 PolarHBondContact O-OG 2.99Å; S366-S370 PolarHBondContact O-N 2.89Å
367	V	87.5	Confident	82.3	Confident	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-64.4	-47.3	179.4	178.7	0	0	0	0	111.5	I317 C329 L333 T363 I364 S369 S370 L412 L416	I317-V367 HydrophobicContact CG2-CG2 3.73Å; C329-V367 HydrophobicContact CB-CG2 4.41Å; L333-V367 HydrophobicContact CD1-CG2 4.35Å; T363-V367 WeakPolarHBondContact O-CG2 3.34Å; T363-V367 PolarHBondContact O-N 3.01Å; I364-V367 PolarHBondContact O-N 2.97Å; V367-S369 PolarHBondContact O-N 3.06Å; V367-S370 VanDerWaalsContact O-CB 3.26Å; V367-S370 WeakPolarHBondContact O-CB 3.11Å; V367-S370 PolarHBondContact O-N 3.31Å; V367-S370 VanDerWaalsContact O-N 3.15Å; V367-S370 PolarHBondContact O-OG 2.97Å; V367-L412 HydrophobicContact CG1-CD1 4.16Å; V367-L412 HydrophobicContact CG1-CD2 4.13Å; V367-L416 HydrophobicContact CB-CD1 3.81Å; V367-L416 HydrophobicContact CG1-CD1 3.74Å; V367-L416 HydrophobicContact CG2-CD1 4.4Å
368	L	87.4	Confident	82.5	Confident	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-63.1	-32.9	176.7	-70.5	178.4	0	0	0	111.9	I364 S370 I371 L412 W413 L431 L432 I435	I364-L368 HydrophobicContact CG2-CD1 3.7Å; I364-L368 HydrophobicContact CG2-CG 4.19Å; I364-L368 WeakPolarHBondContact O-CB 3.44Å; I364-L368 WeakPolarHBondContact O-CG 3.44Å; I364-L368 PolarHBondContact O-N 3.34Å; L368-S370 PolarHBondContact O-N 3.14Å; L368-I371 HydrophobicContact CD2-CD1 4.22Å; L368-I371 WeakPolarHBondContact O-CG1 3.41Å; L368-I371 PolarHBondContact O-N 3.17Å; L368-L412 HydrophobicContact CD2-CB 4.09Å; L368-W413 HydrophobicContact CD1-CE3 4.1Å; L368-W413 HydrophobicContact CD1-CZ3 4.42Å; L368-L431 HydrophobicContact CB-CD2 3.53Å; L368-L431 HydrophobicContact CB-CG 4.14Å; L368-L432 HydrophobicContact CD1-CD2 4.21Å; L368-L432 HydrophobicContact CD1-CG 4.36Å; L368-L432 HydrophobicContact CD2-CD2 4.38Å; L368-I435 HydrophobicContact CB-CD1 4.28Å
369	S	86.5	Confident	82.5	Confident	28 Å²	28	14.2 Å²	14.2	20%	0.196	8%	0.076	C	C	.	.	H	α-helix	trans	-69.1	-18	-179.6	74.8	0	0	0	0	112.4	T365 S366 V367 I371 P373	T365-S369 WeakPolarHBondContact O-CB 3.36Å; T365-S369 PolarHBondContact O-N 2.97Å; T365-S369 PolarHBondContact O-OG 2.83Å; S366-S369 PolarHBondContact O-N 2.72Å; S366-S369 PolarHBondContact O-OG 2.99Å; V367-S369 PolarHBondContact O-N 3.06Å; S369-I371 PolarHBondContact O-N 3.5Å; S369-P373 WeakPolarHBondContact O-CD 3.48Å
370	S	86.7	Confident	82.1	Confident	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-21	176	77.6	0	0	0	0	113.9	A321 S366 V367 L368 P373 A374	A321-S370 VanDerWaalsContact CA-CB 3.49Å; A321-S370 WeakPolarHBondContact O-CA 2.99Å; S366-S370 PolarHBondContact O-N 2.89Å; V367-S370 VanDerWaalsContact O-CB 3.26Å; V367-S370 WeakPolarHBondContact O-CB 3.11Å; V367-S370 PolarHBondContact O-N 3.31Å; V367-S370 VanDerWaalsContact O-N 3.15Å; V367-S370 PolarHBondContact O-OG 2.97Å; L368-S370 PolarHBondContact O-N 3.14Å; S370-P373 VanDerWaalsContact O-CD 3.32Å; S370-P373 WeakPolarHBondContact O-CD 3.5Å; S370-P373 WeakPolarHBondContact O-CG 3.12Å; S370-A374 WeakPolarHBondContact O-CB 3.17Å; S370-A374 PolarHBondContact O-N 2.73Å
371	I	85.4	Confident	81.6	Confident	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-66.9	-44.2	-173	-59.4	179.1	0	0	0	111.1	L368 S369 A374 T375 P405 L408 A409 L412 I435	L368-I371 HydrophobicContact CD2-CD1 4.22Å; L368-I371 WeakPolarHBondContact O-CG1 3.41Å; L368-I371 PolarHBondContact O-N 3.17Å; S369-I371 PolarHBondContact O-N 3.5Å; I371-A374 PolarHBondContact O-N 3.48Å; I371-T375 HydrophobicContact CG2-CG2 4.38Å; I371-T375 VanDerWaalsContact O-CG2 3.31Å; I371-T375 WeakPolarHBondContact O-CG2 3.37Å; I371-T375 PolarHBondContact O-N 2.95Å; I371-T375 PolarHBondContact O-OG1 3.42Å; I371-P405 HydrophobicContact CG2-CB 4.02Å; I371-L408 HydrophobicContact CB-CD2 4.49Å; I371-L408 HydrophobicContact CD1-CD2 4.19Å; I371-L408 HydrophobicContact CD1-CG 4.46Å; I371-L408 HydrophobicContact CG1-CD2 3.85Å; I371-L408 HydrophobicContact CG2-CD2 4.17Å; I371-A409 HydrophobicContact CD1-CB 3.63Å; I371-L412 HydrophobicContact CD1-CD1 3.94Å; I371-L412 HydrophobicContact CG1-CD1 4.2Å; I371-I435 HydrophobicContact CB-CD1 4.44Å; I371-I435 HydrophobicContact CB-CG1 4.4Å; I371-I435 HydrophobicContact CD1-CD1 3.96Å; I371-I435 HydrophobicContact CD1-CG2 4.47Å; I371-I435 HydrophobicContact CG2-CG2 3.89Å
372	E	82.9	Confident	80.9	Confident	26 Å²	26	13.8 Å²	13.8	12%	0.121	7%	0.07	C	C	.	.	H	α-helix	trans	-60.3	-53.9	178.5	-179.6	172.8	-172.9	0	0	112.9	L99 A374 T375 M376 R434 L438	L99-E372 HydrophobicContact CD1-CG 4.11Å; L99-E372 WeakPolarHBondContact CD1-OE1 3.38Å; L99-E372 WeakPolarHBondContact CD1-OE2 3.38Å; E372-A374 VanDerWaalsContact C-N 3.29Å; E372-A374 PolarHBondContact O-N 2.87Å; E372-T375 PolarHBondContact O-N 3.16Å; E372-T375 PolarHBondContact O-OG1 2.84Å; E372-M376 HydrophobicContact CG-CE 3.8Å; E372-M376 PolarHBondContact O-N 3.27Å; E372-R434 VanDerWaalsContact CD-NH2 3.32Å; E372-R434 IonicContact OE1-CZ 3.9Å; E372-R434 IonicContact OE1-NE 3.38Å; E372-R434 IonicContact OE1-NH2 3.55Å; E372-R434 PolarHBondContact OE1-NH2 3.12Å; E372-R434 IonicContact OE2-CZ 2.86Å; E372-R434 IonicContact OE2-NE 3.47Å; E372-R434 PolarHBondContact OE2-NE 2.86Å; E372-R434 IonicContact OE2-NH2 2.73Å; E372-R434 PolarHBondContact OE2-NH2 2.95Å; E372-L438 HydrophobicContact CB-CD1 4.23Å; E372-L438 HydrophobicContact CG-CD2 4.14Å
373	P	82.4	Confident	79.9	Confident	12 Å²	12	12.2 Å²	12.2	8%	0.078	6%	0.064	C	C	.	.	H	α-helix	trans	-63.5	-33.4	174.6	22.7	-30.1	0	0	0	112.6	F245 F286 A321 S369 S370 T375 M376 K377	F245-P373 HydrophobicContact CE1-CB 4.32Å; F245-P373 HydrophobicContact CZ-CB 3.96Å; F286-P373 HydrophobicContact CE1-CB 4.31Å; F286-P373 WeakPolarHBondContact CE1-O 3.41Å; F286-P373 HydrophobicContact CZ-CB 4.49Å; F286-P373 WeakPolarHBondContact CZ-O 3.41Å; A321-P373 WeakPolarHBondContact O-CG 3.29Å; S369-P373 WeakPolarHBondContact O-CD 3.48Å; S370-P373 VanDerWaalsContact O-CD 3.32Å; S370-P373 WeakPolarHBondContact O-CD 3.5Å; S370-P373 WeakPolarHBondContact O-CG 3.12Å; P373-T375 PolarHBondContact O-N 3.21Å; P373-M376 PolarHBondContact O-N 3.35Å; P373-K377 PolarHBondContact O-N 2.92Å
374	A	81.3	Confident	79	Confident	5 Å²	5	14 Å²	14	4%	0.041	7%	0.072	C	C	.	.	H	α-helix	trans	-62.7	-42.2	175	0	0	0	0	0	112.4	G324 I326 S370 I371 E372 M376 K377 R378	G324-A374 WeakPolarHBondContact O-CB 3.39Å; I326-A374 HydrophobicContact CD1-CB 3.39Å; I326-A374 HydrophobicContact CG1-CB 3.84Å; S370-A374 WeakPolarHBondContact O-CB 3.17Å; S370-A374 PolarHBondContact O-N 2.73Å; I371-A374 PolarHBondContact O-N 3.48Å; E372-A374 VanDerWaalsContact C-N 3.29Å; E372-A374 PolarHBondContact O-N 2.87Å; A374-M376 VanDerWaalsContact C-N 3.3Å; A374-M376 PolarHBondContact O-N 3.21Å; A374-K377 WeakPolarHBondContact O-CB 3.4Å; A374-K377 PolarHBondContact O-N 3.34Å; A374-R378 VanDerWaalsContact O-CG 3.3Å; A374-R378 WeakPolarHBondContact O-CG 3.38Å; A374-R378 PolarHBondContact O-N 2.86Å
375	T	77.4	Confident	77.9	Confident	9 Å²	9	18.9 Å²	18.9	6%	0.055	9%	0.091	C	C	.	.	H	α-helix	trans	-60.5	-40.2	173.7	58.2	0	0	0	0	112	I371 E372 P373 R378 N379 P405 L438 D441	I371-T375 HydrophobicContact CG2-CG2 4.38Å; I371-T375 VanDerWaalsContact O-CG2 3.31Å; I371-T375 WeakPolarHBondContact O-CG2 3.37Å; I371-T375 PolarHBondContact O-N 2.95Å; I371-T375 PolarHBondContact O-OG1 3.42Å; E372-T375 PolarHBondContact O-N 3.16Å; E372-T375 PolarHBondContact O-OG1 2.84Å; P373-T375 PolarHBondContact O-N 3.21Å; T375-R378 PolarHBondContact O-N 3.47Å; T375-N379 WeakPolarHBondContact O-CB 3.39Å; T375-N379 PolarHBondContact O-N 2.62Å; T375-N379 PolarHBondContact O-ND2 3.29Å; T375-P405 HydrophobicContact CG2-CB 3.69Å; T375-P405 HydrophobicContact CG2-CG 3.43Å; T375-P405 VanDerWaalsContact CG2-CG 3.43Å; T375-L438 HydrophobicContact CG2-CD1 4.32Å; T375-D441 WeakPolarHBondContact CB-OD2 3.46Å
376	M	77.4	Confident	76.8	Confident	47 Å²	47	22.5 Å²	22.5	23%	0.232	10%	0.104	C	C	.	.	H	α-helix	trans	-65.1	-41.1	175.2	-64.2	-177.1	-169	0	0	112.3	I252 F286 E372 P373 A374 N379 L380	I252-M376 HydrophobicContact CD1-SD 3.97Å; I252-M376 HydrophobicContact CG2-CB 4.37Å; F286-M376 HydrophobicContact CE2-CB 4.39Å; F286-M376 HydrophobicContact CZ-CB 4.11Å; E372-M376 HydrophobicContact CG-CE 3.8Å; E372-M376 PolarHBondContact O-N 3.27Å; P373-M376 PolarHBondContact O-N 3.35Å; A374-M376 VanDerWaalsContact C-N 3.3Å; A374-M376 PolarHBondContact O-N 3.21Å; M376-N379 PolarHBondContact O-N 3.34Å; M376-L380 PolarHBondContact O-N 3.32Å
377	K	77	Confident	75.5	Confident	31 Å²	31	26.3 Å²	26.3	14%	0.135	12%	0.123	C	C	.	.	H	α-helix	trans	-60.1	-48.5	175.1	-168.9	-179.6	175.7	-176.9	0	111.4	F286 P373 A374 N379 L380 E381	F286-K377 HydrophobicContact CB-CD 4.25Å; F286-K377 HydrophobicContact CB-CG 4.1Å; F286-K377 HydrophobicContact CD1-CB 3.78Å; F286-K377 HydrophobicContact CD1-CD 3.76Å; F286-K377 HydrophobicContact CD1-CG 3.75Å; F286-K377 HydrophobicContact CD2-CB 4.14Å; F286-K377 HydrophobicContact CD2-CG 4.14Å; F286-K377 HydrophobicContact CE1-CB 3.57Å; F286-K377 HydrophobicContact CE1-CD 4.29Å; F286-K377 HydrophobicContact CE1-CG 4.11Å; F286-K377 HydrophobicContact CE2-CB 3.98Å; F286-K377 HydrophobicContact CE2-CG 4.49Å; F286-K377 HydrophobicContact CG-CB 4.03Å; F286-K377 HydrophobicContact CG-CD 4.1Å; F286-K377 HydrophobicContact CG-CG 3.75Å; F286-K377 HydrophobicContact CZ-CB 3.68Å; F286-K377 HydrophobicContact CZ-CG 4.46Å; P373-K377 PolarHBondContact O-N 2.92Å; A374-K377 WeakPolarHBondContact O-CB 3.4Å; A374-K377 PolarHBondContact O-N 3.34Å; K377-N379 VanDerWaalsContact C-N 3.33Å; K377-N379 PolarHBondContact O-N 3.5Å; K377-L380 WeakPolarHBondContact O-CB 3.5Å; K377-L380 PolarHBondContact O-N 3.49Å; K377-L380 VanDerWaalsContact O-N 3.11Å; K377-E381 WeakPolarHBondContact CE-OE1 2.9Å; K377-E381 PolarHBondContact O-N 2.96Å
378	R	73.6	Confident	74.1	Confident	23 Å²	23	31.5 Å²	31.5	9%	0.087	15%	0.151	C	C	.	.	H	α-helix	trans	-59.3	-42.5	177.4	-71.6	177	56.1	-177.2	-7.2	112.3	A374 T375 L380 E381 S382 F400 N401 L403	A374-R378 VanDerWaalsContact O-CG 3.3Å; A374-R378 WeakPolarHBondContact O-CG 3.38Å; A374-R378 PolarHBondContact O-N 2.86Å; T375-R378 PolarHBondContact O-N 3.47Å; R378-L380 VanDerWaalsContact C-N 3.35Å; R378-L380 PolarHBondContact O-N 2.76Å; R378-E381 PolarHBondContact O-N 2.95Å; R378-S382 WeakPolarHBondContact O-CB 3.22Å; R378-S382 PolarHBondContact O-N 3.3Å; R378-F400 PolarHBondContact NH1-O 3.45Å; R378-N401 WeakPolarHBondContact CD-OD1 3.46Å; R378-N401 VanDerWaalsContact CG-OD1 3.28Å; R378-N401 WeakPolarHBondContact CG-OD1 3.31Å; R378-N401 PolarHBondContact NE-OD1 3.5Å; R378-N401 VanDerWaalsContact NE-OD1 3.14Å; R378-N401 PolarHBondContact NH2-O 3.25Å; R378-L403 PolarHBondContact NH1-O 2.99Å; R378-L403 PolarHBondContact NH2-O 2.6Å; R378-L403 VanDerWaalsContact NH2-O 3.1Å
379	N	72.4	Confident	72.2	Confident	11 Å²	11	37.4 Å²	37.4	6%	0.059	19%	0.192	C	C	.	.	H	α-helix	trans	-59.7	-46.2	174.1	-82.5	-58.4	0	0	0	111.6	V255 T375 M376 K377 S382 C383 D441	V255-N379 WeakPolarHBondContact CG2-ND2 3.17Å; T375-N379 WeakPolarHBondContact O-CB 3.39Å; T375-N379 PolarHBondContact O-N 2.62Å; T375-N379 PolarHBondContact O-ND2 3.29Å; M376-N379 PolarHBondContact O-N 3.34Å; K377-N379 VanDerWaalsContact C-N 3.33Å; K377-N379 PolarHBondContact O-N 3.5Å; N379-S382 WeakPolarHBondContact O-CB 3.12Å; N379-S382 PolarHBondContact O-N 3.21Å; N379-C383 PolarHBondContact O-N 2.78Å; N379-C383 PolarHBondContact O-SG 3.49Å; N379-D441 PolarHBondContact ND2-OD1 2.69Å; N379-D441 PolarHBondContact ND2-OD2 3.34Å; N379-D441 PolarHBondContact OD1-OD1 2.96Å
380	L	71.3	Confident	70	Confident	7 Å²	7	39.5 Å²	39.5	4%	0.037	21%	0.206	C	C	.	.	H	α-helix	trans	-63.5	-43.8	178	-177.1	144.9	0	0	0	112.2	P279 P283 M376 K377 R378 S382 C383 H384	P279-L380 HydrophobicContact CG-CD1 4.27Å; P283-L380 HydrophobicContact CB-CD2 3.79Å; M376-L380 PolarHBondContact O-N 3.32Å; K377-L380 WeakPolarHBondContact O-CB 3.5Å; K377-L380 PolarHBondContact O-N 3.49Å; K377-L380 VanDerWaalsContact O-N 3.11Å; R378-L380 VanDerWaalsContact C-N 3.35Å; R378-L380 PolarHBondContact O-N 2.76Å; L380-S382 VanDerWaalsContact C-N 3.35Å; L380-S382 PolarHBondContact O-N 3.2Å; L380-C383 VanDerWaalsContact O-CB 3.3Å; L380-C383 WeakPolarHBondContact O-CB 3.37Å; L380-C383 PolarHBondContact O-N 3.33Å; L380-H384 PolarHBondContact O-CD2 2.76Å; L380-H384 VanDerWaalsContact O-CD2 3.31Å; L380-H384 PolarHBondContact O-N 3.14Å; L380-H384 VanDerWaalsContact O-N 3.15Å
381	E	70.7	Confident	67.6	Low	36 Å²	36	49 Å²	49	17%	0.168	25%	0.251	C	S	.	.	H	α-helix	trans	-59	-44.8	173.7	-75.6	175.6	-162.5	0	0	112.1	P283 K377 R378 C383 H384 R385	P283-E381 HydrophobicContact CB-CG 3.36Å; P283-E381 HydrophobicContact CG-CG 4.17Å; K377-E381 WeakPolarHBondContact CE-OE1 2.9Å; K377-E381 PolarHBondContact O-N 2.96Å; R378-E381 PolarHBondContact O-N 2.95Å; E381-C383 VanDerWaalsContact C-N 3.28Å; E381-C383 PolarHBondContact O-N 3.1Å; E381-H384 PolarHBondContact O-N 3.33Å; E381-R385 WeakPolarHBondContact O-CG 3.18Å; E381-R385 PolarHBondContact O-N 3.45Å; E381-R385 IonicContact OE2-NH2 2.7Å; E381-R385 PolarHBondContact OE2-NH2 3.23Å; E381-R385 VanDerWaalsContact OE2-NH2 3.11Å
382	S	69.6	Low	65	Low	10 Å²	10	56.7 Å²	56.7	7%	0.07	29%	0.287	C	S	.	.	H	α-helix	trans	-60.8	-37.6	175.8	-170.7	0	0	0	0	112.2	R378 N379 L380 R386 L443	R378-S382 WeakPolarHBondContact O-CB 3.22Å; R378-S382 PolarHBondContact O-N 3.3Å; N379-S382 WeakPolarHBondContact O-CB 3.12Å; N379-S382 PolarHBondContact O-N 3.21Å; L380-S382 VanDerWaalsContact C-N 3.35Å; L380-S382 PolarHBondContact O-N 3.2Å; S382-R386 VanDerWaalsContact O-CG 3.23Å; S382-R386 WeakPolarHBondContact O-CG 3.22Å; S382-R386 PolarHBondContact O-N 3.04Å; S382-R386 VanDerWaalsContact O-N 3.11Å; S382-R386 PolarHBondContact OG-NE 3.2Å; S382-L443 WeakPolarHBondContact OG-CD2 3.29Å
383	C	63.9	Low	62.6	Low	6 Å²	6	59.3 Å²	59.3	4%	0.041	31%	0.308	C	S	.	.	H	α-helix	trans	-59.2	-49.1	174.7	-57	0	0	0	0	111.3	P253 Q274 N379 L380 E381 R386 M387	P253-C383 HydrophobicContact CG-CB 4.46Å; P253-C383 WeakPolarHBondContact CG-SG 3.16Å; Q274-C383 VanDerWaalsContact CD-SG 3.6Å; Q274-C383 HydrophobicContact CG-CB 4.23Å; Q274-C383 WeakPolarHBondContact CG-SG 3.04Å; Q274-C383 PolarHBondContact NE2-SG 3.28Å; N379-C383 PolarHBondContact O-N 2.78Å; N379-C383 PolarHBondContact O-SG 3.49Å; L380-C383 VanDerWaalsContact O-CB 3.3Å; L380-C383 WeakPolarHBondContact O-CB 3.37Å; L380-C383 PolarHBondContact O-N 3.33Å; E381-C383 VanDerWaalsContact C-N 3.28Å; E381-C383 PolarHBondContact O-N 3.1Å; C383-R386 PolarHBondContact O-N 2.91Å; C383-M387 WeakPolarHBondContact O-CG 3.37Å; C383-M387 PolarHBondContact O-N 3Å
384	H	64.9	Low	60.5	Low	37 Å²	37	63.5 Å²	63.5	17%	0.171	34%	0.344	C	S	.	.	H	α-helix	trans	-63.9	-47.2	-178.5	-77.9	-64.6	0	0	0	111.4	M281 L380 E381 R386 M387 D388	M281-H384 PolarHBondContact O-NE2 2.83Å; L380-H384 PolarHBondContact O-CD2 2.76Å; L380-H384 VanDerWaalsContact O-CD2 3.31Å; L380-H384 PolarHBondContact O-N 3.14Å; L380-H384 VanDerWaalsContact O-N 3.15Å; E381-H384 PolarHBondContact O-N 3.33Å; H384-R386 PolarHBondContact O-N 2.99Å; H384-R386 VanDerWaalsContact O-N 3.13Å; H384-M387 WeakPolarHBondContact ND1-CE 3.28Å; H384-M387 PolarHBondContact O-N 3.23Å; H384-D388 PolarHBondContact O-N 3.1Å; H384-D388 VanDerWaalsContact O-N 3.08Å
385	R	64.7	Low	58.2	Low	103 Å²	103	69.3 Å²	69.3	39%	0.389	37%	0.374	S	S	.	.	H	α-helix	trans	-56.7	-31.4	174.6	-67.5	-176.8	-146.8	150.7	6.6	113.2	E381 N401	E381-R385 WeakPolarHBondContact O-CG 3.18Å; E381-R385 PolarHBondContact O-N 3.45Å; E381-R385 IonicContact OE2-NH2 2.7Å; E381-R385 PolarHBondContact OE2-NH2 3.23Å; E381-R385 VanDerWaalsContact OE2-NH2 3.11Å; R385-N401 PolarHBondContact NH2-ND2 3.05Å; R385-N401 VanDerWaalsContact NH2-ND2 3.19Å
386	R	62.7	Low	56.4	Low	81 Å²	81	71.2 Å²	71.2	31%	0.306	39%	0.388	S	S	.	.	H	α-helix	trans	-77.9	-22.2	176.7	-71.9	172	-169.9	-172.1	2.3	113.6	S382 C383 H384	S382-R386 VanDerWaalsContact O-CG 3.23Å; S382-R386 WeakPolarHBondContact O-CG 3.22Å; S382-R386 PolarHBondContact O-N 3.04Å; S382-R386 VanDerWaalsContact O-N 3.11Å; S382-R386 PolarHBondContact OG-NE 3.2Å; C383-R386 PolarHBondContact O-N 2.91Å; H384-R386 PolarHBondContact O-N 2.99Å; H384-R386 VanDerWaalsContact O-N 3.13Å
387	M	60	Low	54.6	Low	80 Å²	80	73.1 Å²	73.1	39%	0.394	40%	0.399	S	S	.	.	H	α-helix	trans	-88.1	-34.2	-180	-70.8	-169.4	-60.1	0	0	111.9	A278 C383 H384 S389	A278-M387 HydrophobicContact CB-CE 3.58Å; A278-M387 HydrophobicContact CB-SD 3.68Å; C383-M387 WeakPolarHBondContact O-CG 3.37Å; C383-M387 PolarHBondContact O-N 3Å; H384-M387 WeakPolarHBondContact ND1-CE 3.28Å; H384-M387 PolarHBondContact O-N 3.23Å; M387-S389 PolarHBondContact O-N 3.01Å; M387-S389 VanDerWaalsContact O-N 3.12Å
388	D	57.2	Low	53	Low	109 Å²	109	74.3 Å²	74.3	58%	0.583	41%	0.407	S	S	*	.	S	Bend	trans	-69.5	107.4	173.5	-64.4	-28.8	0	0	0	108.6	H384 S390	H384-D388 PolarHBondContact O-N 3.1Å; H384-D388 VanDerWaalsContact O-N 3.08Å; D388-S390 PolarHBondContact O-N 3.46Å
389	S	47.4	Very low	51.5	Low	125 Å²	125	77.7 Å²	77.7	87%	0.874	43%	0.43	S	S	*	.			trans	-67.5	15.2	-179.1	59.5	0	0	0	0	114.3	M387 E391	M387-S389 PolarHBondContact O-N 3.01Å; M387-S389 VanDerWaalsContact O-N 3.12Å; S389-E391 PolarHBondContact O-N 2.95Å
390	S	40.6	Very low	50.2	Low	71 Å²	71	78.4 Å²	78.4	50%	0.497	43%	0.432	S	S	.	.			trans	-86.1	102.1	174.8	147.6	0	0	0	0	107.5	D388 Q392	D388-S390 PolarHBondContact O-N 3.46Å; S390-Q392 PolarHBondContact O-N 2.88Å; S390-Q392 WeakPolarHBondContact OG-CB 3.39Å; S390-Q392 PolarHBondContact OG-N 3.44Å
391	E	37	Very low	49.1	Very low	200 Å²	200	78.8 Å²	78.8	94%	0.935	43%	0.434	S	S	*	.			trans	-63.2	17.3	168.3	-66.5	-173.4	152.2	0	0	113.4	S389 S393	S389-E391 PolarHBondContact O-N 2.95Å; E391-S393 PolarHBondContact O-N 3.03Å
392	Q	29.6	Very low	48.3	Very low	162 Å²	162	83.6 Å²	83.6	76%	0.757	45%	0.451	S	S	*	.			trans	-83.1	109.8	176.1	-61.7	-173	-6.5	0	0	110.8	S390	S390-Q392 PolarHBondContact O-N 2.88Å; S390-Q392 WeakPolarHBondContact OG-CB 3.39Å; S390-Q392 PolarHBondContact OG-N 3.44Å
393	S	33.7	Very low	48	Very low	81 Å²	81	85.6 Å²	85.6	57%	0.566	46%	0.461	S	S	*	.			trans	82.2	75.8	164.7	81.5	0	0	0	0	117.4	E391 N395	E391-S393 PolarHBondContact O-N 3.03Å; S393-N395 PolarHBondContact O-N 3.42Å; S393-N395 VanDerWaalsContact O-N 3.14Å
394	A	37.9	Very low	48.3	Very low	100 Å²	100	85.6 Å²	85.6	83%	0.826	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-3.8	144.6	0	0	0	0	0	113.2
395	N	32.8	Very low	48.8	Very low	126 Å²	126	83.9 Å²	83.9	67%	0.674	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	21.6	-177	-74.3	1.1	0	0	0	114.7	S393 N397	S393-N395 PolarHBondContact O-N 3.42Å; S393-N395 VanDerWaalsContact O-N 3.14Å; N395-N397 PolarHBondContact O-N 3.38Å
396	S	40.4	Very low	49.5	Very low	49 Å²	49	79.1 Å²	79.1	34%	0.343	44%	0.435	S	S	.	.			trans	-69.1	84.3	160.1	45.5	0	0	0	0	108.4	D398	S396-D398 PolarHBondContact O-N 3.49Å
397	N	38.3	Very low	50.1	Low	88 Å²	88	76 Å²	76	47%	0.471	42%	0.424	S	S	.	.			trans	-67.6	55.1	-179.6	-78.7	-30.2	0	0	0	111.8	N395 V399 R402	N395-N397 PolarHBondContact O-N 3.38Å; N397-V399 PolarHBondContact O-N 2.88Å; N397-V399 VanDerWaalsContact O-N 3.08Å; N397-R402 PolarHBondContact OD1-NH2 2.48Å
398	D	43.6	Very low	50.9	Low	56 Å²	56	72.5 Å²	72.5	30%	0.299	41%	0.407	S	S	.	.			trans	-72.8	101.3	168.3	-126.7	-11.5	0	0	0	107.4	S396 F400 N401	S396-D398 PolarHBondContact O-N 3.49Å; D398-F400 PolarHBondContact O-N 3.4Å; D398-F400 VanDerWaalsContact O-N 3.13Å; D398-N401 HydrophobicContact CB-CB 3.87Å; D398-N401 VanDerWaalsContact CB-ND2 3.29Å; D398-N401 WeakPolarHBondContact CB-ND2 3.5Å; D398-N401 WeakPolarHBondContact O-CA 3.44Å; D398-N401 WeakPolarHBondContact O-CB 3.46Å; D398-N401 PolarHBondContact O-N 3.23Å; D398-N401 PolarHBondContact OD2-ND2 2.91Å; D398-N401 VanDerWaalsContact OD2-ND2 3.12Å
399	V	43.7	Very low	52.1	Low	93 Å²	93	67.4 Å²	67.4	56%	0.564	38%	0.38	S	S	*	.	H	α-helix	trans	-52.3	-36.6	-179.5	177.7	0	0	0	0	111	N397 N401 R402	N397-V399 PolarHBondContact O-N 2.88Å; N397-V399 VanDerWaalsContact O-N 3.08Å; V399-N401 VanDerWaalsContact C-N 3.34Å; V399-N401 PolarHBondContact O-N 3.22Å; V399-R402 PolarHBondContact O-N 3.18Å
400	F	43.8	Very low	53.6	Low	26 Å²	26	61.6 Å²	61.6	11%	0.114	34%	0.339	C	S	.	.	H	α-helix	trans	-69.6	-26.9	177	-71.2	-87.3	0	0	0	113.5	H327 R378 D398 R402 L403 L408 F466	H327-F400 AromaticContact CE1-CD2 3.11Å; H327-F400 WeakPolarHBondContact CE1-CD2 3.38Å; H327-F400 AromaticContact CE1-CE2 3.21Å; H327-F400 WeakPolarHBondContact CE1-CE2 3.31Å; H327-F400 AromaticContact CE1-CG 3.88Å; H327-F400 AromaticContact ND1-CE2 3.85Å; H327-F400 AromaticContact NE2-CD2 3.55Å; H327-F400 AromaticContact NE2-CG 3.89Å; R378-F400 PolarHBondContact NH1-O 3.45Å; D398-F400 PolarHBondContact O-N 3.4Å; D398-F400 VanDerWaalsContact O-N 3.13Å; F400-R402 PolarHBondContact O-N 2.85Å; F400-L403 PolarHBondContact O-N 2.8Å; F400-L408 HydrophobicContact CD1-CD1 3.76Å; F400-L408 HydrophobicContact CE1-CD1 3.92Å; F400-F466 HydrophobicContact CE2-CE2 4.32Å; F400-F466 AromaticContact CE2-CZ 3.82Å; F400-F466 HydrophobicContact CE2-CZ 3.82Å
401	N	49.5	Very low	55.3	Low	15 Å²	15	60.2 Å²	60.2	8%	0.08	33%	0.329	C	S	.	.	H	α-helix	trans	-73	-10.8	175.6	-80.3	-35.4	0	0	0	113.6	R378 R385 D398 V399	R378-N401 WeakPolarHBondContact CD-OD1 3.46Å; R378-N401 VanDerWaalsContact CG-OD1 3.28Å; R378-N401 WeakPolarHBondContact CG-OD1 3.31Å; R378-N401 PolarHBondContact NE-OD1 3.5Å; R378-N401 VanDerWaalsContact NE-OD1 3.14Å; R378-N401 PolarHBondContact NH2-O 3.25Å; R385-N401 PolarHBondContact NH2-ND2 3.05Å; R385-N401 VanDerWaalsContact NH2-ND2 3.19Å; D398-N401 HydrophobicContact CB-CB 3.87Å; D398-N401 VanDerWaalsContact CB-ND2 3.29Å; D398-N401 WeakPolarHBondContact CB-ND2 3.5Å; D398-N401 WeakPolarHBondContact O-CA 3.44Å; D398-N401 WeakPolarHBondContact O-CB 3.46Å; D398-N401 PolarHBondContact O-N 3.23Å; D398-N401 PolarHBondContact OD2-ND2 2.91Å; D398-N401 VanDerWaalsContact OD2-ND2 3.12Å; V399-N401 VanDerWaalsContact C-N 3.34Å; V399-N401 PolarHBondContact O-N 3.22Å
402	R	53	Low	57.4	Low	137 Å²	137	50.9 Å²	50.9	52%	0.517	29%	0.286	S	S	.	.	H	α-helix	trans	-94.2	-23.8	175.8	-66.3	-173.8	173.9	154	8.8	113.8	N397 V399 F400 D444	N397-R402 PolarHBondContact OD1-NH2 2.48Å; V399-R402 PolarHBondContact O-N 3.18Å; F400-R402 PolarHBondContact O-N 2.85Å; R402-D444 IonicContact NE-OD2 3.67Å
403	L	63.4	Low	60	Low	52 Å²	52	43.3 Å²	43.3	27%	0.272	25%	0.25	S	S	.	.	S	Bend	trans	-77	138.1	-178.7	-64.9	170.6	0	0	0	111.1	R378 F400 Q407 L408	R378-L403 PolarHBondContact NH1-O 2.99Å; R378-L403 PolarHBondContact NH2-O 2.6Å; R378-L403 VanDerWaalsContact NH2-O 3.1Å; F400-L403 PolarHBondContact O-N 2.8Å; L403-Q407 HydrophobicContact CD2-CG 3.73Å; L403-L408 HydrophobicContact CD1-CD1 4.36Å
404	S	70.5	Confident	62.1	Low	6 Å²	6	40.6 Å²	40.6	4%	0.042	23%	0.228	C	C	.	.			trans	-70.1	153.6	170.1	78	0	0	0	0	110.4	F406 Q407 L408 E450	S404-F406 PolarHBondContact O-N 3.43Å; S404-Q407 PolarHBondContact O-N 3.24Å; S404-Q407 VanDerWaalsContact O-N 3.12Å; S404-Q407 WeakPolarHBondContact OG-CB 3.29Å; S404-Q407 PolarHBondContact OG-N 3.49Å; S404-Q407 VanDerWaalsContact OG-N 3.14Å; S404-L408 PolarHBondContact O-N 3.33Å; S404-E450 WeakPolarHBondContact CB-OE1 3.46Å; S404-E450 PolarHBondContact OG-OE1 3.34Å
405	P	75.5	Confident	63.9	Low	1 Å²	1	37.3 Å²	37.3	1%	0.006	20%	0.197	C	C	.	.	H	α-helix	trans	-57.9	-33.8	178.7	-21.3	32.3	0	0	0	112	I371 T375 A409 I435 L438	I371-P405 HydrophobicContact CG2-CB 4.02Å; T375-P405 HydrophobicContact CG2-CB 3.69Å; T375-P405 HydrophobicContact CG2-CG 3.43Å; T375-P405 VanDerWaalsContact CG2-CG 3.43Å; P405-A409 WeakPolarHBondContact O-CB 3.44Å; P405-A409 PolarHBondContact O-N 3.35Å; P405-I435 HydrophobicContact CB-CG2 4.44Å; P405-L438 HydrophobicContact CB-CD1 4.32Å
406	F	79.9	Confident	66.2	Low	4 Å²	4	31.4 Å²	31.4	2%	0.018	17%	0.165	C	C	.	.	H	α-helix	trans	-69.6	-45.1	176.4	179.3	-118.5	0	0	0	112.2	S404 L408 A409 L410 M436 I452 R566 L569 V570	S404-F406 PolarHBondContact O-N 3.43Å; F406-L408 VanDerWaalsContact C-N 3.33Å; F406-L408 PolarHBondContact O-N 2.97Å; F406-A409 PolarHBondContact O-N 3.14Å; F406-L410 HydrophobicContact CD1-CD1 4.07Å; F406-L410 HydrophobicContact CD2-CG 4.48Å; F406-L410 HydrophobicContact CE1-CD1 3.55Å; F406-L410 HydrophobicContact CE1-CG 4.42Å; F406-L410 HydrophobicContact CE2-CD1 4.08Å; F406-L410 HydrophobicContact CE2-CD2 4.39Å; F406-L410 HydrophobicContact CE2-CG 4.1Å; F406-L410 HydrophobicContact CZ-CD1 3.56Å; F406-L410 HydrophobicContact CZ-CD2 4.39Å; F406-L410 HydrophobicContact CZ-CG 4.09Å; F406-L410 WeakPolarHBondContact O-CG 3.22Å; F406-L410 PolarHBondContact O-N 3.38Å; F406-M436 HydrophobicContact CD2-CG 3.65Å; F406-M436 HydrophobicContact CE2-CE 4.07Å; F406-M436 HydrophobicContact CE2-CG 3.66Å; F406-M436 HydrophobicContact CE2-SD 4.24Å; F406-I452 HydrophobicContact CD1-CD1 4.08Å; F406-I452 HydrophobicContact CE1-CD1 3.81Å; F406-R566 HydrophobicContact CD1-CB 4.47Å; F406-R566 HydrophobicContact CD1-CG 4.18Å; F406-R566 HydrophobicContact CD2-CB 4.44Å; F406-R566 HydrophobicContact CE1-CB 4.33Å; F406-R566 HydrophobicContact CE1-CG 4.41Å; F406-R566 HydrophobicContact CE2-CB 4.32Å; F406-R566 HydrophobicContact CG-CG 4.32Å; F406-R566 HydrophobicContact CZ-CB 4.25Å; F406-L569 HydrophobicContact CE1-CB 4.37Å; F406-L569 HydrophobicContact CE1-CD1 3.88Å; F406-L569 HydrophobicContact CZ-CB 4.27Å; F406-V570 HydrophobicContact CE2-CG2 4.03Å; F406-V570 HydrophobicContact CZ-CG2 3.91Å
407	Q	74.4	Confident	68	Low	16 Å²	16	29.6 Å²	29.6	8%	0.075	15%	0.152	C	C	.	.	H	α-helix	trans	-62.2	-42.5	176.7	-178.3	61	14.6	0	0	111.7	L403 S404 A409 L410 S411 F453	L403-Q407 HydrophobicContact CD2-CG 3.73Å; S404-Q407 PolarHBondContact O-N 3.24Å; S404-Q407 VanDerWaalsContact O-N 3.12Å; S404-Q407 WeakPolarHBondContact OG-CB 3.29Å; S404-Q407 PolarHBondContact OG-N 3.49Å; S404-Q407 VanDerWaalsContact OG-N 3.14Å; Q407-A409 VanDerWaalsContact C-N 3.34Å; Q407-L410 PolarHBondContact O-N 3.44Å; Q407-S411 PolarHBondContact O-N 3.48Å; Q407-S411 PolarHBondContact O-OG 2.79Å; Q407-F453 PolarHBondContact NE2-O 2.53Å
408	L	76.2	Confident	69.7	Low	5 Å²	5	29.3 Å²	29.3	3%	0.026	16%	0.155	C	C	.	.	H	α-helix	trans	-62.5	-40.9	175	-175.8	80.5	0	0	0	111.6	I326 I371 F400 L403 S404 F406 S411 L412	I326-L408 HydrophobicContact CD1-CD2 3.43Å; I326-L408 VanDerWaalsContact CD1-CD2 3.43Å; I326-L408 HydrophobicContact CG1-CD2 4.36Å; I371-L408 HydrophobicContact CB-CD2 4.49Å; I371-L408 HydrophobicContact CD1-CD2 4.19Å; I371-L408 HydrophobicContact CD1-CG 4.46Å; I371-L408 HydrophobicContact CG1-CD2 3.85Å; I371-L408 HydrophobicContact CG2-CD2 4.17Å; F400-L408 HydrophobicContact CD1-CD1 3.76Å; F400-L408 HydrophobicContact CE1-CD1 3.92Å; L403-L408 HydrophobicContact CD1-CD1 4.36Å; S404-L408 PolarHBondContact O-N 3.33Å; F406-L408 VanDerWaalsContact C-N 3.33Å; F406-L408 PolarHBondContact O-N 2.97Å; L408-S411 PolarHBondContact O-N 2.84Å; L408-S411 PolarHBondContact O-OG 3.11Å; L408-L412 HydrophobicContact CD2-CD1 4.4Å; L408-L412 HydrophobicContact CG-CD1 4.01Å; L408-L412 WeakPolarHBondContact O-CB 3.31Å; L408-L412 VanDerWaalsContact O-CG 3.26Å; L408-L412 WeakPolarHBondContact O-CG 3.43Å; L408-L412 PolarHBondContact O-N 3.25Å
409	A	82.9	Confident	71.1	Confident	2 Å²	2	28.5 Å²	28.5	2%	0.017	15%	0.151	C	C	.	.	H	α-helix	trans	-65.2	-40.3	177.3	0	0	0	0	0	112.1	I371 P405 F406 Q407 W413 L432 I435	I371-A409 HydrophobicContact CD1-CB 3.63Å; P405-A409 WeakPolarHBondContact O-CB 3.44Å; P405-A409 PolarHBondContact O-N 3.35Å; F406-A409 PolarHBondContact O-N 3.14Å; Q407-A409 VanDerWaalsContact C-N 3.34Å; A409-W413 WeakPolarHBondContact O-CB 3.37Å; A409-W413 PolarHBondContact O-N 2.84Å; A409-L432 HydrophobicContact CB-CD2 4.25Å; A409-I435 HydrophobicContact CB-CD1 4.32Å; A409-I435 HydrophobicContact CB-CG2 3.74Å
410	L	78.9	Confident	72.5	Confident	4 Å²	4	24.2 Å²	24.2	2%	0.021	13%	0.125	C	C	.	.	H	α-helix	trans	-65.6	-43.9	175.8	-75.2	174.9	0	0	0	111.8	F406 Q407 W413 H414 I452 L543 L544	F406-L410 HydrophobicContact CD1-CD1 4.07Å; F406-L410 HydrophobicContact CD2-CG 4.48Å; F406-L410 HydrophobicContact CE1-CD1 3.55Å; F406-L410 HydrophobicContact CE1-CG 4.42Å; F406-L410 HydrophobicContact CE2-CD1 4.08Å; F406-L410 HydrophobicContact CE2-CD2 4.39Å; F406-L410 HydrophobicContact CE2-CG 4.1Å; F406-L410 HydrophobicContact CZ-CD1 3.56Å; F406-L410 HydrophobicContact CZ-CD2 4.39Å; F406-L410 HydrophobicContact CZ-CG 4.09Å; F406-L410 WeakPolarHBondContact O-CG 3.22Å; F406-L410 PolarHBondContact O-N 3.38Å; Q407-L410 PolarHBondContact O-N 3.44Å; L410-W413 PolarHBondContact O-N 3.04Å; L410-H414 PolarHBondContact O-CD2 2.98Å; L410-H414 PolarHBondContact O-N 2.95Å; L410-I452 HydrophobicContact CD1-CG2 4.1Å; L410-L543 HydrophobicContact CD1-CB 4.46Å; L410-L543 HydrophobicContact CD1-CD1 4.01Å; L410-L543 HydrophobicContact CD2-CB 4.34Å; L410-L544 HydrophobicContact CD2-CD2 4.07Å
411	S	76.1	Confident	73.8	Confident	41 Å²	41	29.3 Å²	29.3	29%	0.287	15%	0.153	S	C	.	.	H	α-helix	trans	-61.9	-49	177.1	64.7	0	0	0	0	110.9	Q407 L408 W413 H414 D415	Q407-S411 PolarHBondContact O-N 3.48Å; Q407-S411 PolarHBondContact O-OG 2.79Å; L408-S411 PolarHBondContact O-N 2.84Å; L408-S411 PolarHBondContact O-OG 3.11Å; S411-W413 VanDerWaalsContact C-N 3.29Å; S411-W413 PolarHBondContact O-N 3.34Å; S411-H414 PolarHBondContact O-N 3.4Å; S411-D415 WeakPolarHBondContact O-CB 3.5Å; S411-D415 PolarHBondContact O-N 3.45Å; S411-D415 VanDerWaalsContact O-OD2 3.14Å
412	L	81.7	Confident	74.7	Confident	4 Å²	4	32.9 Å²	32.9	2%	0.021	17%	0.172	C	C	.	.	H	α-helix	trans	-62.8	-35.8	177.4	-69.6	172.7	0	0	0	112.3	L330 V367 L368 I371 L408 D415 L416	L330-L412 HydrophobicContact CD1-CD2 4.46Å; L330-L412 HydrophobicContact CD2-CD2 3.84Å; V367-L412 HydrophobicContact CG1-CD1 4.16Å; V367-L412 HydrophobicContact CG1-CD2 4.13Å; L368-L412 HydrophobicContact CD2-CB 4.09Å; I371-L412 HydrophobicContact CD1-CD1 3.94Å; I371-L412 HydrophobicContact CG1-CD1 4.2Å; L408-L412 HydrophobicContact CD2-CD1 4.4Å; L408-L412 HydrophobicContact CG-CD1 4.01Å; L408-L412 WeakPolarHBondContact O-CB 3.31Å; L408-L412 VanDerWaalsContact O-CG 3.26Å; L408-L412 WeakPolarHBondContact O-CG 3.43Å; L408-L412 PolarHBondContact O-N 3.25Å; L412-D415 PolarHBondContact O-N 3.47Å; L412-L416 HydrophobicContact CB-CD1 4.34Å; L412-L416 WeakPolarHBondContact O-CB 3.45Å; L412-L416 WeakPolarHBondContact O-CD1 3.11Å; L412-L416 WeakPolarHBondContact O-CG 3.45Å; L412-L416 PolarHBondContact O-N 3.47Å
413	W	83.2	Confident	75.8	Confident	4 Å²	4	30.3 Å²	30.3	2%	0.015	17%	0.169	C	C	.	.	H	α-helix	trans	-62.1	-50.3	175.5	178.3	-95.6	0	0	0	111.7	L368 A409 L410 S411 D415 L416 V417 I424 N428 F429 L432 L544	L368-W413 HydrophobicContact CD1-CE3 4.1Å; L368-W413 HydrophobicContact CD1-CZ3 4.42Å; A409-W413 WeakPolarHBondContact O-CB 3.37Å; A409-W413 PolarHBondContact O-N 2.84Å; L410-W413 PolarHBondContact O-N 3.04Å; S411-W413 VanDerWaalsContact C-N 3.29Å; S411-W413 PolarHBondContact O-N 3.34Å; W413-D415 VanDerWaalsContact C-N 3.29Å; W413-D415 PolarHBondContact O-N 3.13Å; W413-L416 PolarHBondContact O-N 3.26Å; W413-V417 HydrophobicContact CD2-CG2 3.61Å; W413-V417 HydrophobicContact CE3-CG2 3.92Å; W413-V417 HydrophobicContact CG-CG2 4.12Å; W413-V417 HydrophobicContact CH2-CG2 4.19Å; W413-V417 HydrophobicContact CZ2-CG2 3.84Å; W413-V417 HydrophobicContact CZ3-CG2 4.21Å; W413-V417 WeakPolarHBondContact O-CB 3.34Å; W413-V417 VanDerWaalsContact O-CG2 3.25Å; W413-V417 WeakPolarHBondContact O-CG2 3.47Å; W413-V417 PolarHBondContact O-N 3.26Å; W413-I424 HydrophobicContact CH2-CD1 3.81Å; W413-I424 HydrophobicContact CH2-CG2 3.91Å; W413-I424 HydrophobicContact CZ2-CD1 3.85Å; W413-N428 HydrophobicContact CZ3-CB 4.05Å; W413-F429 HydrophobicContact CH2-CD1 4.28Å; W413-F429 AromaticContact CH2-CE1 3.79Å; W413-F429 HydrophobicContact CH2-CE1 3.79Å; W413-F429 HydrophobicContact CH2-CE2 4.29Å; W413-F429 AromaticContact CH2-CZ 3.79Å; W413-F429 HydrophobicContact CH2-CZ 3.79Å; W413-F429 AromaticContact CZ2-CE1 3.86Å; W413-F429 HydrophobicContact CZ2-CE1 3.86Å; W413-F429 AromaticContact CZ2-CZ 3.95Å; W413-F429 HydrophobicContact CZ2-CZ 3.95Å; W413-L432 HydrophobicContact CD2-CD1 3.81Å; W413-L432 HydrophobicContact CE3-CD1 3.45Å; W413-L432 VanDerWaalsContact CE3-CD1 3.45Å; W413-L432 HydrophobicContact CE3-CD2 4.23Å; W413-L432 HydrophobicContact CE3-CG 4.07Å; W413-L432 HydrophobicContact CH2-CD1 3.84Å; W413-L432 HydrophobicContact CZ2-CD1 4.22Å; W413-L432 HydrophobicContact CZ3-CD1 3.45Å; W413-L432 VanDerWaalsContact CZ3-CD1 3.45Å; W413-L432 HydrophobicContact CZ3-CG 4.19Å; W413-L544 HydrophobicContact CD2-CD2 4.34Å; W413-L544 HydrophobicContact CG-CD2 4.19Å
414	H	78.9	Confident	76.8	Confident	23 Å²	23	28.2 Å²	28.2	11%	0.106	16%	0.158	C	C	.	.	H	α-helix	trans	-68.2	-28.6	179.8	-73.5	-58.6	0	0	0	113	L410 S411 P418 N456 L543	L410-H414 PolarHBondContact O-CD2 2.98Å; L410-H414 PolarHBondContact O-N 2.95Å; S411-H414 PolarHBondContact O-N 3.4Å; H414-P418 WeakPolarHBondContact O-CD 3.13Å; H414-P418 VanDerWaalsContact O-CG 3.25Å; H414-P418 WeakPolarHBondContact O-CG 3.44Å; H414-N456 WeakPolarHBondContact CB-OD1 3.35Å; H414-N456 PolarHBondContact ND1-OD1 3.44Å; H414-L543 PolarHBondContact CE1-O 3.47Å; H414-L543 PolarHBondContact NE2-O 3.41Å
415	D	76	Confident	77.4	Confident	32 Å²	32	28.8 Å²	28.8	17%	0.171	16%	0.163	C	C	.	.	H	α-helix	trans	-74.8	-41.1	174.4	-68.2	-31	0	0	0	112.2	S411 L412 W413 L419 Y459	S411-D415 WeakPolarHBondContact O-CB 3.5Å; S411-D415 PolarHBondContact O-N 3.45Å; S411-D415 VanDerWaalsContact O-OD2 3.14Å; L412-D415 PolarHBondContact O-N 3.47Å; W413-D415 VanDerWaalsContact C-N 3.29Å; W413-D415 PolarHBondContact O-N 3.13Å; D415-L419 WeakPolarHBondContact O-CD1 3.44Å; D415-L419 WeakPolarHBondContact O-CG 3.37Å; D415-Y459 HydrophobicContact CB-CD2 4.35Å
416	L	80.7	Confident	77.7	Confident	1 Å²	1	30.2 Å²	30.2	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-88.9	-34.8	-170.9	-64.8	171	0	0	0	114.4	L333 I364 V367 L412 W413 L419 S420	L333-L416 HydrophobicContact CD1-CD2 3.36Å; I364-L416 HydrophobicContact CG1-CB 4.18Å; I364-L416 HydrophobicContact CG2-CD1 4.48Å; V367-L416 HydrophobicContact CB-CD1 3.81Å; V367-L416 HydrophobicContact CG1-CD1 3.74Å; V367-L416 HydrophobicContact CG2-CD1 4.4Å; L412-L416 HydrophobicContact CB-CD1 4.34Å; L412-L416 WeakPolarHBondContact O-CB 3.45Å; L412-L416 WeakPolarHBondContact O-CD1 3.11Å; L412-L416 WeakPolarHBondContact O-CG 3.45Å; L412-L416 PolarHBondContact O-N 3.47Å; W413-L416 PolarHBondContact O-N 3.26Å; L416-L419 HydrophobicContact CD2-CD1 4.41Å; L416-L419 WeakPolarHBondContact O-CB 3.05Å; L416-L419 PolarHBondContact O-N 2.86Å; L416-S420 PolarHBondContact O-N 3.37Å
417	V	78.7	Confident	77.9	Confident	11 Å²	11	33 Å²	33	7%	0.067	19%	0.185	C	C	.	.	H	α-helix	trans	-59	-47.8	-177.9	166.1	0	0	0	0	112	W413 L419 S420 N422 I424	W413-V417 HydrophobicContact CD2-CG2 3.61Å; W413-V417 HydrophobicContact CE3-CG2 3.92Å; W413-V417 HydrophobicContact CG-CG2 4.12Å; W413-V417 HydrophobicContact CH2-CG2 4.19Å; W413-V417 HydrophobicContact CZ2-CG2 3.84Å; W413-V417 HydrophobicContact CZ3-CG2 4.21Å; W413-V417 WeakPolarHBondContact O-CB 3.34Å; W413-V417 VanDerWaalsContact O-CG2 3.25Å; W413-V417 WeakPolarHBondContact O-CG2 3.47Å; W413-V417 PolarHBondContact O-N 3.26Å; V417-L419 VanDerWaalsContact C-N 3.28Å; V417-L419 PolarHBondContact O-N 2.87Å; V417-S420 PolarHBondContact O-N 2.96Å; V417-S420 PolarHBondContact O-OG 3.47Å; V417-N422 WeakPolarHBondContact CG1-OD1 3.38Å; V417-I424 HydrophobicContact CB-CD1 4.4Å; V417-I424 HydrophobicContact CG1-CD1 3.81Å; V417-I424 HydrophobicContact CG2-CD1 3.7Å; V417-I424 HydrophobicContact CG2-CG1 4.49Å
418	P	73.8	Confident	78.5	Confident	83 Å²	83	32.3 Å²	32.3	54%	0.539	18%	0.182	S	C	.	.	H	α-helix	trans	-62.2	-33	176.8	-23.5	35.4	0	0	0	113.5	H414 S420	H414-P418 WeakPolarHBondContact O-CD 3.13Å; H414-P418 VanDerWaalsContact O-CG 3.25Å; H414-P418 WeakPolarHBondContact O-CG 3.44Å; P418-S420 VanDerWaalsContact C-N 3.33Å
419	L	72.2	Confident	79	Confident	39 Å²	39	32.1 Å²	32.1	20%	0.204	18%	0.181	C	C	.	.	H	α-helix	trans	-68.9	-31.7	179	-69.7	174.1	0	0	0	112.8	L333 L337 P359 D415 L416 V417 N421 Y459	L333-L419 HydrophobicContact CD2-CD1 4.23Å; L337-L419 HydrophobicContact CD1-CD1 4.16Å; L337-L419 HydrophobicContact CD1-CD2 4.21Å; P359-L419 HydrophobicContact CG-CB 3.58Å; D415-L419 WeakPolarHBondContact O-CD1 3.44Å; D415-L419 WeakPolarHBondContact O-CG 3.37Å; L416-L419 HydrophobicContact CD2-CD1 4.41Å; L416-L419 WeakPolarHBondContact O-CB 3.05Å; L416-L419 PolarHBondContact O-N 2.86Å; V417-L419 VanDerWaalsContact C-N 3.28Å; V417-L419 PolarHBondContact O-N 2.87Å; L419-N421 VanDerWaalsContact C-N 3.25Å; L419-N421 PolarHBondContact O-N 3.19Å; L419-Y459 HydrophobicContact CD1-CD2 3.39Å; L419-Y459 HydrophobicContact CD1-CE2 3.59Å; L419-Y459 HydrophobicContact CD1-CG 3.95Å; L419-Y459 HydrophobicContact CD2-CD1 4.39Å; L419-Y459 HydrophobicContact CD2-CD2 4.29Å; L419-Y459 HydrophobicContact CD2-CG 3.98Å; L419-Y459 HydrophobicContact CG-CD2 4.06Å; L419-Y459 HydrophobicContact CG-CG 4.23Å
420	S	72.8	Confident	79.1	Confident	3 Å²	3	32.8 Å²	32.8	2%	0.021	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	7.3	-177.2	68.9	0	0	0	0	115.2	P359 I364 L416 V417 P418 N422 D423	P359-S420 VanDerWaalsContact O-CA 3.26Å; P359-S420 WeakPolarHBondContact O-CA 3.42Å; P359-S420 WeakPolarHBondContact O-CB 3.12Å; I364-S420 WeakPolarHBondContact CD1-OG 2.92Å; L416-S420 PolarHBondContact O-N 3.37Å; V417-S420 PolarHBondContact O-N 2.96Å; V417-S420 PolarHBondContact O-OG 3.47Å; P418-S420 VanDerWaalsContact C-N 3.33Å; S420-N422 PolarHBondContact O-N 3.17Å; S420-N422 VanDerWaalsContact O-N 3.15Å; S420-N422 PolarHBondContact OG-N 3.46Å; S420-D423 WeakPolarHBondContact O-CB 3Å; S420-D423 PolarHBondContact O-N 2.88Å
421	N	71.3	Confident	79.5	Confident	132 Å²	132	33.9 Å²	33.9	71%	0.706	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	33.1	-169.5	-67.1	-34.2	0	0	0	113.1	L419 D423	L419-N421 VanDerWaalsContact C-N 3.25Å; L419-N421 PolarHBondContact O-N 3.19Å; N421-D423 VanDerWaalsContact C-N 3.3Å; N421-D423 PolarHBondContact O-N 3.35Å
422	N	68.5	Low	80	Confident	90 Å²	90	32.4 Å²	32.4	48%	0.481	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	24.1	-174.9	-56.9	-41.3	0	0	0	115.4	V417 S420 I424 Y584	V417-N422 WeakPolarHBondContact CG1-OD1 3.38Å; S420-N422 PolarHBondContact O-N 3.17Å; S420-N422 VanDerWaalsContact O-N 3.15Å; S420-N422 PolarHBondContact OG-N 3.46Å; N422-I424 VanDerWaalsContact C-N 3.26Å; N422-I424 PolarHBondContact O-N 2.95Å; N422-Y584 HydrophobicContact CB-CE1 4.24Å
423	D	77.1	Confident	80.1	Confident	83 Å²	83	32.3 Å²	32.3	44%	0.444	18%	0.179	S	C	.	.			trans	-72.3	83	168.1	-174	37.4	0	0	0	110.3	S361 S420 N421	S361-D423 WeakPolarHBondContact CA-O 3.37Å; S361-D423 VanDerWaalsContact CB-O 3.27Å; S361-D423 WeakPolarHBondContact CB-O 3.25Å; S361-D423 PolarHBondContact N-OD2 3.41Å; S361-D423 PolarHBondContact OG-OD2 3.27Å; S420-D423 WeakPolarHBondContact O-CB 3Å; S420-D423 PolarHBondContact O-N 2.88Å; N421-D423 VanDerWaalsContact C-N 3.3Å; N421-D423 PolarHBondContact O-N 3.35Å
424	I	83.1	Confident	80.1	Confident	9 Å²	9	34.2 Å²	34.2	5%	0.046	19%	0.186	C	C	.	.			trans	-110.6	129.5	-178.3	-54.9	-173.5	0	0	0	109.6	W413 V417 N422 N428 F429 Y584 L586	W413-I424 HydrophobicContact CH2-CD1 3.81Å; W413-I424 HydrophobicContact CH2-CG2 3.91Å; W413-I424 HydrophobicContact CZ2-CD1 3.85Å; V417-I424 HydrophobicContact CB-CD1 4.4Å; V417-I424 HydrophobicContact CG1-CD1 3.81Å; V417-I424 HydrophobicContact CG2-CD1 3.7Å; V417-I424 HydrophobicContact CG2-CG1 4.49Å; N422-I424 VanDerWaalsContact C-N 3.26Å; N422-I424 PolarHBondContact O-N 2.95Å; I424-N428 HydrophobicContact CG2-CB 4.06Å; I424-F429 HydrophobicContact CG2-CD2 4.19Å; I424-F429 HydrophobicContact CG2-CE2 3.55Å; I424-F429 HydrophobicContact CG2-CZ 4.17Å; I424-Y584 HydrophobicContact CB-CD1 4.34Å; I424-Y584 HydrophobicContact CB-CE1 4.41Å; I424-Y584 HydrophobicContact CD1-CD1 4.07Å; I424-Y584 HydrophobicContact CD1-CE1 3.33Å; I424-Y584 HydrophobicContact CD1-CE2 4.09Å; I424-Y584 WeakPolarHBondContact CD1-OH 3.49Å; I424-Y584 HydrophobicContact CG1-CD1 4.42Å; I424-Y584 HydrophobicContact CG1-CE1 4.01Å; I424-L586 WeakPolarHBondContact O-CD1 3.32Å
425	A	83.2	Confident	80.3	Confident	17 Å²	17	33.2 Å²	33.2	14%	0.14	18%	0.182	C	C	.	.			trans	-99.4	154.7	175	0	0	0	0	0	111.4	H427 N428	A425-H427 WeakPolarHBondContact CB-CE1 3.02Å; A425-H427 WeakPolarHBondContact CB-ND1 3.43Å; A425-H427 PolarHBondContact O-N 3.28Å; A425-H427 VanDerWaalsContact O-N 3.11Å; A425-N428 WeakPolarHBondContact O-CB 3.32Å; A425-N428 PolarHBondContact O-N 2.87Å; A425-N428 PolarHBondContact O-OD1 2.85Å
426	P	82.4	Confident	80.6	Confident	31 Å²	31	32 Å²	32	20%	0.201	18%	0.175	C	C	.	.	H	α-helix	trans	-61.8	-23.9	-178.2	23.7	-34.5	0	0	0	113.4	N428 F429 T430 K587	P426-N428 VanDerWaalsContact C-N 3.28Å; P426-N428 PolarHBondContact O-N 3.48Å; P426-F429 PolarHBondContact O-N 3.36Å; P426-T430 PolarHBondContact O-N 2.88Å; P426-T430 PolarHBondContact O-OG1 3.47Å; P426-K587 WeakPolarHBondContact CB-O 3.5Å
427	H	83.8	Confident	80.5	Confident	64 Å²	64	33.1 Å²	33.1	30%	0.296	19%	0.187	S	C	.	.	H	α-helix	trans	-69	-25.2	176.4	70.3	-92.5	0	0	0	112.7	T365 A425 F429 T430 L431	T365-H427 WeakPolarHBondContact CB-NE2 3.49Å; T365-H427 VanDerWaalsContact CG2-CD2 3.43Å; T365-H427 WeakPolarHBondContact CG2-CD2 3.48Å; T365-H427 WeakPolarHBondContact CG2-NE2 3.39Å; T365-H427 PolarHBondContact OG1-CD2 3.08Å; T365-H427 PolarHBondContact OG1-NE2 3.21Å; A425-H427 WeakPolarHBondContact CB-CE1 3.02Å; A425-H427 WeakPolarHBondContact CB-ND1 3.43Å; A425-H427 PolarHBondContact O-N 3.28Å; A425-H427 VanDerWaalsContact O-N 3.11Å; H427-F429 VanDerWaalsContact C-N 3.32Å; H427-F429 PolarHBondContact O-N 3.17Å; H427-T430 WeakPolarHBondContact O-CB 3.26Å; H427-T430 PolarHBondContact O-N 3.37Å; H427-T430 VanDerWaalsContact O-N 3.16Å; H427-L431 WeakPolarHBondContact O-CB 3.48Å; H427-L431 PolarHBondContact O-N 2.93Å
428	N	86.9	Confident	80.4	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63.9	-41.4	176.8	-55.3	13.1	0	0	0	110.1	T365 W413 I424 A425 P426 L431 L432	T365-N428 PolarHBondContact OG1-OD1 3.48Å; W413-N428 HydrophobicContact CZ3-CB 4.05Å; I424-N428 HydrophobicContact CG2-CB 4.06Å; A425-N428 WeakPolarHBondContact O-CB 3.32Å; A425-N428 PolarHBondContact O-N 2.87Å; A425-N428 PolarHBondContact O-OD1 2.85Å; P426-N428 VanDerWaalsContact C-N 3.28Å; P426-N428 PolarHBondContact O-N 3.48Å; N428-L431 PolarHBondContact O-N 3.21Å; N428-L432 WeakPolarHBondContact O-CG 3.08Å; N428-L432 PolarHBondContact O-N 2.63Å
429	F	87.5	Confident	80.1	Confident	1 Å²	1	36.3 Å²	36.3	0%	0.004	19%	0.193	C	C	.	.	H	α-helix	trans	-68.7	-35	173.7	-67.4	-78.1	0	0	0	112.8	W413 I424 P426 H427 L431 L432 T433 L544 L576 I579 I580 Y584 L586 F592	W413-F429 HydrophobicContact CH2-CD1 4.28Å; W413-F429 AromaticContact CH2-CE1 3.79Å; W413-F429 HydrophobicContact CH2-CE1 3.79Å; W413-F429 HydrophobicContact CH2-CE2 4.29Å; W413-F429 AromaticContact CH2-CZ 3.79Å; W413-F429 HydrophobicContact CH2-CZ 3.79Å; W413-F429 AromaticContact CZ2-CE1 3.86Å; W413-F429 HydrophobicContact CZ2-CE1 3.86Å; W413-F429 AromaticContact CZ2-CZ 3.95Å; W413-F429 HydrophobicContact CZ2-CZ 3.95Å; I424-F429 HydrophobicContact CG2-CD2 4.19Å; I424-F429 HydrophobicContact CG2-CE2 3.55Å; I424-F429 HydrophobicContact CG2-CZ 4.17Å; P426-F429 PolarHBondContact O-N 3.36Å; H427-F429 VanDerWaalsContact C-N 3.32Å; H427-F429 PolarHBondContact O-N 3.17Å; F429-L431 VanDerWaalsContact C-N 3.28Å; F429-L431 PolarHBondContact O-N 3.08Å; F429-L432 HydrophobicContact CD1-CD1 4.39Å; F429-L432 PolarHBondContact O-N 3.21Å; F429-T433 WeakPolarHBondContact O-CG2 3.19Å; F429-T433 PolarHBondContact O-N 3Å; F429-T433 PolarHBondContact O-OG1 3.14Å; F429-L544 HydrophobicContact CD1-CD1 4.46Å; F429-L544 HydrophobicContact CE1-CD1 4.16Å; F429-L576 HydrophobicContact CD1-CD2 4.33Å; F429-I579 HydrophobicContact CE1-CG2 4.17Å; F429-I579 HydrophobicContact CZ-CG2 4.15Å; F429-I580 HydrophobicContact CB-CD1 3.79Å; F429-I580 HydrophobicContact CD1-CD1 3.89Å; F429-I580 HydrophobicContact CD1-CG1 3.94Å; F429-I580 HydrophobicContact CD2-CD1 3.99Å; F429-I580 HydrophobicContact CD2-CG1 3.92Å; F429-I580 HydrophobicContact CE1-CD1 4.47Å; F429-I580 HydrophobicContact CE1-CG1 4.02Å; F429-I580 HydrophobicContact CE2-CG1 4Å; F429-I580 HydrophobicContact CG-CD1 3.62Å; F429-I580 HydrophobicContact CG-CG1 3.9Å; F429-I580 HydrophobicContact CZ-CG1 4.05Å; F429-Y584 HydrophobicContact CE2-CD2 4.22Å; F429-Y584 AromaticContact CZ-CD2 3.72Å; F429-Y584 HydrophobicContact CZ-CD2 3.72Å; F429-Y584 AromaticContact CZ-CE2 3.83Å; F429-Y584 HydrophobicContact CZ-CE2 3.83Å; F429-L586 HydrophobicContact CD2-CD1 4.34Å; F429-L586 HydrophobicContact CE2-CD1 3.93Å; F429-F592 HydrophobicContact CB-CD2 4.34Å; F429-F592 HydrophobicContact CB-CE2 4.14Å
430	T	85.4	Confident	79.6	Confident	17 Å²	17	35 Å²	35	10%	0.104	19%	0.186	C	C	.	.	H	α-helix	trans	-63.7	-37.5	173	-54	0	0	0	0	111	P426 H427 T433 R434 C595	P426-T430 PolarHBondContact O-N 2.88Å; P426-T430 PolarHBondContact O-OG1 3.47Å; H427-T430 WeakPolarHBondContact O-CB 3.26Å; H427-T430 PolarHBondContact O-N 3.37Å; H427-T430 VanDerWaalsContact O-N 3.16Å; T430-T433 WeakPolarHBondContact CA-OG1 3.43Å; T430-T433 PolarHBondContact O-OG1 2.77Å; T430-R434 WeakPolarHBondContact O-CB 3.26Å; T430-R434 PolarHBondContact O-N 3.2Å; T430-C595 HydrophobicContact CG2-CB 4.48Å
431	L	85.4	Confident	78.6	Confident	26 Å²	26	35.2 Å²	35.2	14%	0.136	19%	0.187	C	C	.	.	H	α-helix	trans	-72.2	-42.7	176.7	-174.2	58.2	0	0	0	112	T365 L368 H427 N428 F429 T433 R434 I435	T365-L431 HydrophobicContact CG2-CD2 4.18Å; T365-L431 WeakPolarHBondContact O-CD2 3.25Å; L368-L431 HydrophobicContact CB-CD2 3.53Å; L368-L431 HydrophobicContact CB-CG 4.14Å; H427-L431 WeakPolarHBondContact O-CB 3.48Å; H427-L431 PolarHBondContact O-N 2.93Å; N428-L431 PolarHBondContact O-N 3.21Å; F429-L431 VanDerWaalsContact C-N 3.28Å; F429-L431 PolarHBondContact O-N 3.08Å; L431-T433 PolarHBondContact O-N 3.18Å; L431-R434 WeakPolarHBondContact O-CB 3.37Å; L431-R434 PolarHBondContact O-N 2.96Å; L431-I435 HydrophobicContact CD1-CD1 4.45Å; L431-I435 HydrophobicContact CG-CD1 4.03Å; L431-I435 WeakPolarHBondContact O-CD1 3.4Å; L431-I435 VanDerWaalsContact O-CG1 3.25Å; L431-I435 WeakPolarHBondContact O-CG1 3.23Å; L431-I435 PolarHBondContact O-N 3.38Å
432	L	86.7	Confident	77.5	Confident	10 Å²	10	31.4 Å²	31.4	5%	0.052	17%	0.17	C	C	.	.	H	α-helix	trans	-57	-49.1	172.2	-77.3	177.6	0	0	0	111.6	L368 A409 W413 N428 F429 R434 I435 M436 L544	L368-L432 HydrophobicContact CD1-CD2 4.21Å; L368-L432 HydrophobicContact CD1-CG 4.36Å; L368-L432 HydrophobicContact CD2-CD2 4.38Å; A409-L432 HydrophobicContact CB-CD2 4.25Å; W413-L432 HydrophobicContact CD2-CD1 3.81Å; W413-L432 HydrophobicContact CE3-CD1 3.45Å; W413-L432 VanDerWaalsContact CE3-CD1 3.45Å; W413-L432 HydrophobicContact CE3-CD2 4.23Å; W413-L432 HydrophobicContact CE3-CG 4.07Å; W413-L432 HydrophobicContact CH2-CD1 3.84Å; W413-L432 HydrophobicContact CZ2-CD1 4.22Å; W413-L432 HydrophobicContact CZ3-CD1 3.45Å; W413-L432 VanDerWaalsContact CZ3-CD1 3.45Å; W413-L432 HydrophobicContact CZ3-CG 4.19Å; N428-L432 WeakPolarHBondContact O-CG 3.08Å; N428-L432 PolarHBondContact O-N 2.63Å; F429-L432 HydrophobicContact CD1-CD1 4.39Å; F429-L432 PolarHBondContact O-N 3.21Å; L432-R434 VanDerWaalsContact C-N 3.26Å; L432-R434 PolarHBondContact O-N 2.8Å; L432-I435 PolarHBondContact O-N 2.9Å; L432-I435 VanDerWaalsContact O-N 3.1Å; L432-M436 WeakPolarHBondContact O-CG 3.47Å; L432-M436 PolarHBondContact O-N 3.43Å; L432-L544 HydrophobicContact CD1-CD2 3.96Å
433	T	85.5	Confident	76.3	Confident	2 Å²	2	29 Å²	29	1%	0.012	16%	0.157	C	C	.	.	H	α-helix	trans	-61.9	-35.4	177.4	49.5	0	0	0	0	112.1	F429 T430 L431 G437 L576 F592 I596 L599	F429-T433 WeakPolarHBondContact O-CG2 3.19Å; F429-T433 PolarHBondContact O-N 3Å; F429-T433 PolarHBondContact O-OG1 3.14Å; T430-T433 WeakPolarHBondContact CA-OG1 3.43Å; T430-T433 PolarHBondContact O-OG1 2.77Å; L431-T433 PolarHBondContact O-N 3.18Å; T433-G437 PolarHBondContact O-N 2.83Å; T433-L576 HydrophobicContact CG2-CD1 3.93Å; T433-F592 HydrophobicContact CG2-CD2 4.19Å; T433-F592 HydrophobicContact CG2-CE2 3.58Å; T433-F592 HydrophobicContact CG2-CZ 4.34Å; T433-I596 HydrophobicContact CG2-CG1 4.3Å; T433-L599 HydrophobicContact CG2-CD1 4.08Å
434	R	82.8	Confident	74.6	Confident	44 Å²	44	29.1 Å²	29.1	17%	0.166	16%	0.158	C	C	.	.	H	α-helix	trans	-63.6	-45.1	171.7	-179	-179.5	175.7	129.7	15.5	112.3	N100 E372 T430 L431 L432 M436 G437	N100-R434 PolarHBondContact OD1-NH1 3.15Å; E372-R434 VanDerWaalsContact CD-NH2 3.32Å; E372-R434 IonicContact OE1-CZ 3.9Å; E372-R434 IonicContact OE1-NE 3.38Å; E372-R434 IonicContact OE1-NH2 3.55Å; E372-R434 PolarHBondContact OE1-NH2 3.12Å; E372-R434 IonicContact OE2-CZ 2.86Å; E372-R434 IonicContact OE2-NE 3.47Å; E372-R434 PolarHBondContact OE2-NE 2.86Å; E372-R434 IonicContact OE2-NH2 2.73Å; E372-R434 PolarHBondContact OE2-NH2 2.95Å; T430-R434 WeakPolarHBondContact O-CB 3.26Å; T430-R434 PolarHBondContact O-N 3.2Å; L431-R434 WeakPolarHBondContact O-CB 3.37Å; L431-R434 PolarHBondContact O-N 2.96Å; L432-R434 VanDerWaalsContact C-N 3.26Å; L432-R434 PolarHBondContact O-N 2.8Å; R434-M436 VanDerWaalsContact C-N 3.34Å; R434-G437 PolarHBondContact O-N 3.1Å; R434-G437 VanDerWaalsContact O-N 3.13Å
435	I	83.5	Confident	72.6	Confident	3 Å²	3	29.7 Å²	29.7	2%	0.015	16%	0.163	C	C	.	.	H	α-helix	trans	-64.4	-40.1	178	-65.1	154.1	0	0	0	111	L368 I371 P405 A409 L431 L432 G437 L438	L368-I435 HydrophobicContact CB-CD1 4.28Å; I371-I435 HydrophobicContact CB-CD1 4.44Å; I371-I435 HydrophobicContact CB-CG1 4.4Å; I371-I435 HydrophobicContact CD1-CD1 3.96Å; I371-I435 HydrophobicContact CD1-CG2 4.47Å; I371-I435 HydrophobicContact CG2-CG2 3.89Å; P405-I435 HydrophobicContact CB-CG2 4.44Å; A409-I435 HydrophobicContact CB-CD1 4.32Å; A409-I435 HydrophobicContact CB-CG2 3.74Å; L431-I435 HydrophobicContact CD1-CD1 4.45Å; L431-I435 HydrophobicContact CG-CD1 4.03Å; L431-I435 WeakPolarHBondContact O-CD1 3.4Å; L431-I435 VanDerWaalsContact O-CG1 3.25Å; L431-I435 WeakPolarHBondContact O-CG1 3.23Å; L431-I435 PolarHBondContact O-N 3.38Å; L432-I435 PolarHBondContact O-N 2.9Å; L432-I435 VanDerWaalsContact O-N 3.1Å; I435-G437 PolarHBondContact O-N 3.16Å; I435-G437 VanDerWaalsContact O-N 3.16Å; I435-L438 HydrophobicContact CG2-CD1 4.25Å; I435-L438 WeakPolarHBondContact O-CB 3.36Å; I435-L438 WeakPolarHBondContact O-CG 3.37Å; I435-L438 PolarHBondContact O-N 3.15Å
436	M	82.1	Confident	70.7	Confident	5 Å²	5	36.2 Å²	36.2	3%	0.025	20%	0.196	C	C	.	.	H	α-helix	trans	-59.1	-26.7	174.6	-69.2	168.1	76.5	0	0	112.7	F406 L432 R434 R566 L567 V570 L599	F406-M436 HydrophobicContact CD2-CG 3.65Å; F406-M436 HydrophobicContact CE2-CE 4.07Å; F406-M436 HydrophobicContact CE2-CG 3.66Å; F406-M436 HydrophobicContact CE2-SD 4.24Å; L432-M436 WeakPolarHBondContact O-CG 3.47Å; L432-M436 PolarHBondContact O-N 3.43Å; R434-M436 VanDerWaalsContact C-N 3.34Å; M436-R566 HydrophobicContact CE-CB 4.11Å; M436-R566 WeakPolarHBondContact CE-O 3.14Å; M436-R566 PolarHBondContact O-NH1 2.68Å; M436-L567 VanDerWaalsContact CE-CA 3.47Å; M436-L567 HydrophobicContact CE-CB 4.33Å; M436-L567 HydrophobicContact CE-CD1 4.47Å; M436-V570 HydrophobicContact CE-CB 4.05Å; M436-V570 HydrophobicContact CE-CG2 3.61Å; M436-V570 HydrophobicContact SD-CG2 4.23Å; M436-L599 VanDerWaalsContact C-CD2 3.47Å; M436-L599 HydrophobicContact CB-CD1 4.06Å; M436-L599 HydrophobicContact CB-CD2 3.67Å; M436-L599 HydrophobicContact CE-CD1 4.34Å; M436-L599 HydrophobicContact SD-CD1 4.33Å
437	G	77.4	Confident	68.7	Low	26 Å²	26	41.2 Å²	41.2	27%	0.268	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-7.9	177.8	0	0	0	0	0	114.7	T433 R434 I435 L599	T433-G437 PolarHBondContact O-N 2.83Å; R434-G437 PolarHBondContact O-N 3.1Å; R434-G437 VanDerWaalsContact O-N 3.13Å; I435-G437 PolarHBondContact O-N 3.16Å; I435-G437 VanDerWaalsContact O-N 3.16Å; G437-L599 VanDerWaalsContact N-CD2 3.35Å
438	L	77.1	Confident	67	Low	29 Å²	29	40 Å²	40	15%	0.152	22%	0.216	C	C	.	.	S	Bend	trans	-65.6	146.1	176.7	-64.2	175.9	0	0	0	110.4	E372 T375 P405 I435 R566	E372-L438 HydrophobicContact CB-CD1 4.23Å; E372-L438 HydrophobicContact CG-CD2 4.14Å; T375-L438 HydrophobicContact CG2-CD1 4.32Å; P405-L438 HydrophobicContact CB-CD1 4.32Å; I435-L438 HydrophobicContact CG2-CD1 4.25Å; I435-L438 WeakPolarHBondContact O-CB 3.36Å; I435-L438 WeakPolarHBondContact O-CG 3.37Å; I435-L438 PolarHBondContact O-N 3.15Å; L438-R566 PolarHBondContact O-NH1 3.2Å
439	K	68.2	Low	64.9	Low	132 Å²	132	42.5 Å²	42.5	57%	0.574	23%	0.234	S	C	*	.	P	Polyproline II helix	trans	-70.5	142.8	173.7	-68.2	-176.5	177	-175.9	0	109.1	V255 D441	V255-K439 HydrophobicContact CB-CB 4.48Å; V255-K439 HydrophobicContact CG1-CB 4.37Å; K439-D441 PolarHBondContact O-N 3.33Å
440	N	60.9	Low	63.1	Low	12 Å²	12	43.5 Å²	43.5	6%	0.064	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-69.6	129.5	176.5	-83.5	-8.4	0	0	0	110.6	E450 R566	N440-E450 PolarHBondContact ND2-OE1 2.95Å; N440-E450 PolarHBondContact ND2-OE2 3.46Å; N440-R566 PolarHBondContact ND2-NH2 3.48Å; N440-R566 VanDerWaalsContact OD1-CZ 3.26Å; N440-R566 PolarHBondContact OD1-NH2 3.24Å
441	D	51.7	Low	61.4	Low	7 Å²	7	46.2 Å²	46.2	4%	0.037	25%	0.252	C	S	.	.			trans	-97.8	1	178.4	-67.2	-21.4	0	0	0	113	V255 T375 N379 K439 L443	V255-D441 WeakPolarHBondContact CG1-OD1 3.47Å; V255-D441 WeakPolarHBondContact CG2-OD1 2.79Å; T375-D441 WeakPolarHBondContact CB-OD2 3.46Å; N379-D441 PolarHBondContact ND2-OD1 2.69Å; N379-D441 PolarHBondContact ND2-OD2 3.34Å; N379-D441 PolarHBondContact OD1-OD1 2.96Å; K439-D441 PolarHBondContact O-N 3.33Å; D441-L443 WeakPolarHBondContact O-CG 3.47Å; D441-L443 PolarHBondContact O-N 2.66Å
442	C	47.7	Very low	59.9	Low	52 Å²	52	45.1 Å²	45.1	35%	0.351	25%	0.246	S	C	.	.			trans	-51	108.6	-174.4	-62	0	0	0	0	109.7	D444	C442-D444 PolarHBondContact O-N 3.18Å
443	L	43.8	Very low	58.2	Low	40 Å²	40	50.3 Å²	50.3	21%	0.209	27%	0.268	C	S	.	.			trans	-75	-21.1	-169.7	-68.4	175.2	0	0	0	111.9	S382 D441 A445	S382-L443 WeakPolarHBondContact OG-CD2 3.29Å; D441-L443 WeakPolarHBondContact O-CG 3.47Å; D441-L443 PolarHBondContact O-N 2.66Å; L443-A445 PolarHBondContact O-N 3.39Å
444	D	40.9	Very low	56.6	Low	85 Å²	85	50.4 Å²	50.4	46%	0.455	27%	0.268	S	S	.	.			trans	-91.6	89.7	-176.5	-65.3	-19.2	0	0	0	109.6	R402 C442 N446 N447	R402-D444 IonicContact NE-OD2 3.67Å; C442-D444 PolarHBondContact O-N 3.18Å; D444-N446 PolarHBondContact O-N 3.29Å; D444-N447 PolarHBondContact O-N 2.98Å
445	A	41.2	Very low	55.1	Low	20 Å²	20	52.1 Å²	52.1	17%	0.165	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-53	-18.5	167	0	0	0	0	0	112.9	R258 L443 N448	R258-A445 HydrophobicContact CB-CB 4.16Å; L443-A445 PolarHBondContact O-N 3.39Å; A445-N448 VanDerWaalsContact O-CG 3.26Å; A445-N448 PolarHBondContact O-ND2 2.9Å; A445-N448 VanDerWaalsContact O-ND2 3.12Å; A445-N448 PolarHBondContact O-OD1 3.29Å
446	N	42.8	Very low	53.5	Low	154 Å²	154	54.1 Å²	54.1	82%	0.824	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-76.6	-20.6	-177	-67.6	6.2	0	0	0	113.4	D444	D444-N446 PolarHBondContact O-N 3.29Å
447	N	42	Very low	51.9	Low	136 Å²	136	57 Å²	57	73%	0.727	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-124.6	56	177.7	-85.6	-9.4	0	0	0	110.4	D444 C449	D444-N447 PolarHBondContact O-N 2.98Å; N447-C449 CarbonylContact O-C 3.53Å; N447-C449 PolarHBondContact O-N 3.35Å
448	N	46.7	Very low	50.7	Low	38 Å²	38	66.5 Å²	66.5	20%	0.203	34%	0.34	C	S	.	.			trans	-60.3	-5.6	177.8	-75.8	-25.9	0	0	0	114.5	A445 E450	A445-N448 VanDerWaalsContact O-CG 3.26Å; A445-N448 PolarHBondContact O-ND2 2.9Å; A445-N448 VanDerWaalsContact O-ND2 3.12Å; A445-N448 PolarHBondContact O-OD1 3.29Å; N448-E450 PolarHBondContact O-N 2.84Å
449	C	43.6	Very low	49.6	Very low	53 Å²	53	67.7 Å²	67.7	36%	0.358	34%	0.343	S	S	.	.	S	Bend	trans	-75.2	98.7	164.2	-62.1	0	0	0	0	108.5	N447 I451	N447-C449 CarbonylContact O-C 3.53Å; N447-C449 PolarHBondContact O-N 3.35Å; C449-I451 VanDerWaalsContact C-N 3.33Å; C449-I451 HydrophobicContact CB-CG1 4.33Å; C449-I451 PolarHBondContact O-N 3.37Å
450	E	50.8	Low	49.1	Very low	22 Å²	22	65.8 Å²	65.8	10%	0.103	34%	0.335	C	S	.	.			trans	-59	104.3	159.5	-79	-177.2	121	0	0	107.1	S404 N440 N448 G555 L561	S404-E450 WeakPolarHBondContact CB-OE1 3.46Å; S404-E450 PolarHBondContact OG-OE1 3.34Å; N440-E450 PolarHBondContact ND2-OE1 2.95Å; N440-E450 PolarHBondContact ND2-OE2 3.46Å; N448-E450 PolarHBondContact O-N 2.84Å; E450-G555 PolarHBondContact O-N 3.01Å; E450-G555 VanDerWaalsContact O-N 3.11Å; E450-L561 HydrophobicContact CB-CD1 4.26Å; E450-L561 WeakPolarHBondContact OE2-CB 3.36Å; E450-L561 VanDerWaalsContact OE2-CD1 3.23Å; E450-L561 WeakPolarHBondContact OE2-CD1 3.44Å; E450-L561 WeakPolarHBondContact OE2-CG 3.44Å; E450-L561 PolarHBondContact OE2-N 2.78Å
451	I	49.3	Very low	48.7	Very low	75 Å²	75	66.4 Å²	66.4	39%	0.385	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	105.5	170.5	-55.6	176.3	0	0	0	106.6	C449 F453 V552 I553	C449-I451 VanDerWaalsContact C-N 3.33Å; C449-I451 HydrophobicContact CB-CG1 4.33Å; C449-I451 PolarHBondContact O-N 3.37Å; I451-F453 HydrophobicContact CB-CD2 4.41Å; I451-F453 HydrophobicContact CB-CE2 3.94Å; I451-F453 HydrophobicContact CG2-CD2 3.74Å; I451-F453 HydrophobicContact CG2-CE1 4.23Å; I451-F453 HydrophobicContact CG2-CE2 3.26Å; I451-F453 HydrophobicContact CG2-CG 4.4Å; I451-F453 HydrophobicContact CG2-CZ 3.54Å; I451-F453 PolarHBondContact O-N 2.93Å; I451-V552 HydrophobicContact CG2-CG1 3.55Å; I451-I553 WeakPolarHBondContact CA-O 3.47Å
452	I	53.1	Low	48.7	Very low	3 Å²	3	66.4 Å²	66.4	2%	0.015	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	110.7	174.7	-66.7	163	0	0	0	107.4	F406 L410 V454 L543 I553 L561 L569	F406-I452 HydrophobicContact CD1-CD1 4.08Å; F406-I452 HydrophobicContact CE1-CD1 3.81Å; L410-I452 HydrophobicContact CD1-CG2 4.1Å; I452-V454 HydrophobicContact CG2-CG2 3.98Å; I452-L543 HydrophobicContact CG2-CD1 3.74Å; I452-I553 PolarHBondContact N-O 3.41Å; I452-I553 VanDerWaalsContact N-O 3.13Å; I452-I553 PolarHBondContact O-N 3.19Å; I452-L561 HydrophobicContact CD1-CD1 4.05Å; I452-L569 HydrophobicContact CD1-CD1 3.4Å
453	F	50.9	Low	48.8	Very low	119 Å²	119	66.1 Å²	66.1	52%	0.522	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	121.6	168.6	-68.6	-84.4	0	0	0	108.7	Q407 I451 V552	Q407-F453 PolarHBondContact NE2-O 2.53Å; I451-F453 HydrophobicContact CB-CD2 4.41Å; I451-F453 HydrophobicContact CB-CE2 3.94Å; I451-F453 HydrophobicContact CG2-CD2 3.74Å; I451-F453 HydrophobicContact CG2-CE1 4.23Å; I451-F453 HydrophobicContact CG2-CE2 3.26Å; I451-F453 HydrophobicContact CG2-CG 4.4Å; I451-F453 HydrophobicContact CG2-CZ 3.54Å; I451-F453 PolarHBondContact O-N 2.93Å; F453-V552 HydrophobicContact CD1-CG2 3.87Å; F453-V552 HydrophobicContact CE1-CG2 3.66Å
454	V	51.9	Low	49.1	Very low	3 Å²	3	67.7 Å²	67.7	2%	0.018	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	112.5	167.6	-179.9	0	0	0	0	107.5	I452 L543 P550 I551	I452-V454 HydrophobicContact CG2-CG2 3.98Å; V454-L543 HydrophobicContact CG2-CD2 4.08Å; V454-P550 VanDerWaalsContact O-CA 3.31Å; V454-P550 WeakPolarHBondContact O-CA 3.36Å; V454-I551 PolarHBondContact N-O 3.41Å; V454-I551 PolarHBondContact O-N 2.95Å
455	N	51.8	Low	49.6	Very low	81 Å²	81	66.5 Å²	66.5	43%	0.433	34%	0.335	S	S	.	.			trans	-122.8	124.3	170.5	-176.6	6.3	0	0	0	108.6	S457	N455-S457 PolarHBondContact ND2-OG 3.19Å; N455-S457 WeakPolarHBondContact OD1-CB 3.37Å; N455-S457 PolarHBondContact OD1-N 2.94Å; N455-S457 PolarHBondContact OD1-OG 3.45Å
456	N	50.5	Low	49.7	Very low	45 Å²	45	66.8 Å²	66.8	24%	0.241	33%	0.332	C	S	.	.			trans	-103.3	22.5	-176.7	-64.1	-37.4	0	0	0	113.8	H414 R458 P546 T547	H414-N456 WeakPolarHBondContact CB-OD1 3.35Å; H414-N456 PolarHBondContact ND1-OD1 3.44Å; N456-R458 VanDerWaalsContact C-N 3.28Å; N456-R458 PolarHBondContact O-N 3.24Å; N456-P546 WeakPolarHBondContact ND2-CA 3.32Å; N456-T547 WeakPolarHBondContact CB-O 3.41Å; N456-T547 PolarHBondContact ND2-N 2.79Å; N456-T547 PolarHBondContact ND2-O 3.2Å; N456-T547 PolarHBondContact ND2-OG1 3.29Å; N456-T547 VanDerWaalsContact ND2-OG1 3.09Å
457	S	48.2	Very low	49.7	Very low	66 Å²	66	63.6 Å²	63.6	46%	0.462	31%	0.311	S	S	.	.	S	Bend	trans	-78.2	76.1	179.3	69.9	0	0	0	0	111.8	N455	N455-S457 PolarHBondContact ND2-OG 3.19Å; N455-S457 WeakPolarHBondContact OD1-CB 3.37Å; N455-S457 PolarHBondContact OD1-N 2.94Å; N455-S457 PolarHBondContact OD1-OG 3.45Å
458	R	52.1	Low	49.7	Very low	224 Å²	224	62.5 Å²	62.5	85%	0.845	31%	0.314	S	S	*	.	S	Bend	trans	62.9	154.8	171.4	-58.4	-178.9	178.6	-178.5	-0.7	115.7	N456 K460	N456-R458 VanDerWaalsContact C-N 3.28Å; N456-R458 PolarHBondContact O-N 3.24Å; R458-K460 PolarHBondContact O-N 2.93Å; R458-K460 VanDerWaalsContact O-N 3.16Å
459	Y	53.3	Low	49.5	Very low	55 Å²	55	65.3 Å²	65.3	22%	0.216	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-51.3	121.9	168	177	-106.4	0	0	0	109.5	L333 D334 L337 D415 L419	L333-Y459 HydrophobicContact CD2-CE2 4.1Å; L333-Y459 VanDerWaalsContact CD2-OH 3.26Å; L333-Y459 WeakPolarHBondContact CD2-OH 3.25Å; D334-Y459 PolarHBondContact OD1-OH 2.85Å; L337-Y459 HydrophobicContact CD1-CD1 4.4Å; L337-Y459 HydrophobicContact CD1-CE1 3.78Å; D415-Y459 HydrophobicContact CB-CD2 4.35Å; L419-Y459 HydrophobicContact CD1-CD2 3.39Å; L419-Y459 HydrophobicContact CD1-CE2 3.59Å; L419-Y459 HydrophobicContact CD1-CG 3.95Å; L419-Y459 HydrophobicContact CD2-CD1 4.39Å; L419-Y459 HydrophobicContact CD2-CD2 4.29Å; L419-Y459 HydrophobicContact CD2-CG 3.98Å; L419-Y459 HydrophobicContact CG-CD2 4.06Å; L419-Y459 HydrophobicContact CG-CG 4.23Å
460	K	57.5	Low	49	Very low	92 Å²	92	64.5 Å²	64.5	40%	0.4	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-93.1	120	167.8	-66.6	-178.1	-177	-179.7	0	106.5	R458 D464 I465	R458-K460 PolarHBondContact O-N 2.93Å; R458-K460 VanDerWaalsContact O-N 3.16Å; K460-D464 HydrophobicContact CB-CB 4Å; K460-I465 HydrophobicContact CB-CD1 4.48Å; K460-I465 HydrophobicContact CB-CG1 3.75Å
461	S	53.2	Low	48.2	Very low	24 Å²	24	69.7 Å²	69.7	17%	0.168	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-55.9	157	170.3	64.1	0	0	0	0	109.7	E463 D464 I465	S461-E463 PolarHBondContact O-N 3.28Å; S461-E463 VanDerWaalsContact O-N 3.1Å; S461-D464 PolarHBondContact N-OD2 3.1Å; S461-D464 WeakPolarHBondContact O-CA 3.11Å; S461-D464 PolarHBondContact O-N 2.97Å; S461-D464 PolarHBondContact OG-N 3.38Å; S461-D464 PolarHBondContact OG-OD2 3.39Å; S461-I465 PolarHBondContact O-N 3.45Å
462	F	50.8	Low	47.6	Very low	7 Å²	7	70.6 Å²	70.6	3%	0.031	37%	0.369	C	S	.	.	H	α-helix	trans	-51.1	-36.1	171.8	179.1	-91.6	0	0	0	111.1	H327 L330 R331 D334 D464 I465 F466 L488	H327-F462 HydrophobicContact CB-CE2 4.48Å; H327-F462 AromaticContact ND1-CE2 3.93Å; L330-F462 HydrophobicContact CB-CD2 4.22Å; R331-F462 HydrophobicContact CG-CD1 4.43Å; R331-F462 HydrophobicContact CG-CD2 4.44Å; R331-F462 HydrophobicContact CG-CE1 4.34Å; R331-F462 HydrophobicContact CG-CE2 4.33Å; R331-F462 HydrophobicContact CG-CG 4.49Å; R331-F462 HydrophobicContact CG-CZ 4.29Å; D334-F462 WeakPolarHBondContact OD2-CA 3.46Å; D334-F462 WeakPolarHBondContact OD2-CB 3.38Å; D334-F462 PolarHBondContact OD2-N 2.89Å; F462-D464 VanDerWaalsContact C-N 3.35Å; F462-D464 PolarHBondContact O-N 2.96Å; F462-I465 PolarHBondContact O-N 3.03Å; F462-F466 HydrophobicContact CD1-CD2 4.05Å; F462-F466 HydrophobicContact CD1-CE2 4.41Å; F462-F466 HydrophobicContact CD2-CD2 4.16Å; F462-F466 AromaticContact CD2-CE2 3.85Å; F462-F466 HydrophobicContact CD2-CE2 3.85Å; F462-F466 AromaticContact CE1-CD2 3.84Å; F462-F466 HydrophobicContact CE1-CD2 3.84Å; F462-F466 AromaticContact CE1-CE2 3.97Å; F462-F466 HydrophobicContact CE1-CE2 3.97Å; F462-F466 AromaticContact CE2-CD2 3.98Å; F462-F466 HydrophobicContact CE2-CD2 3.98Å; F462-F466 AromaticContact CE2-CE2 3.37Å; F462-F466 HydrophobicContact CE2-CE2 3.37Å; F462-F466 HydrophobicContact CE2-CZ 4.34Å; F462-F466 HydrophobicContact CG-CD2 4.2Å; F462-F466 HydrophobicContact CG-CE2 4.35Å; F462-F466 AromaticContact CZ-CD2 3.8Å; F462-F466 HydrophobicContact CZ-CD2 3.8Å; F462-F466 AromaticContact CZ-CE2 3.42Å; F462-F466 HydrophobicContact CZ-CE2 3.42Å; F462-F466 VanDerWaalsContact CZ-CE2 3.42Å; F462-F466 HydrophobicContact CZ-CZ 4.28Å; F462-F466 VanDerWaalsContact O-CD2 3.31Å; F462-F466 WeakPolarHBondContact O-CD2 3.22Å; F462-F466 PolarHBondContact O-N 3.47Å; F462-L488 HydrophobicContact CZ-CD2 3.95Å
463	E	51	Low	47	Very low	46 Å²	46	75.5 Å²	75.5	22%	0.215	40%	0.404	C	S	.	.	H	α-helix	trans	-60.3	-40	173.1	-63.4	-167.8	169.8	0	0	113.1	S461 F466 K467 I479	S461-E463 PolarHBondContact O-N 3.28Å; S461-E463 VanDerWaalsContact O-N 3.1Å; E463-F466 PolarHBondContact O-N 3.02Å; E463-K467 HydrophobicContact CB-CD 4.42Å; E463-K467 VanDerWaalsContact O-CB 3.23Å; E463-K467 WeakPolarHBondContact O-CB 3.26Å; E463-K467 WeakPolarHBondContact O-CG 3.33Å; E463-K467 PolarHBondContact O-N 2.93Å; E463-K467 IonicContact OE2-NZ 2.63Å; E463-K467 PolarHBondContact OE2-NZ 3.32Å; E463-I479 HydrophobicContact CG-CD1 4.41Å; E463-I479 VanDerWaalsContact OE1-CD1 3.26Å; E463-I479 WeakPolarHBondContact OE1-CD1 3.44Å
464	D	49.9	Very low	46.4	Very low	74 Å²	74	73.5 Å²	73.5	40%	0.396	40%	0.398	S	S	.	.	H	α-helix	trans	-75.6	-31.4	-178.2	-59	-40	0	0	0	113	K460 S461 F462 F466 K467	K460-D464 HydrophobicContact CB-CB 4Å; S461-D464 PolarHBondContact N-OD2 3.1Å; S461-D464 WeakPolarHBondContact O-CA 3.11Å; S461-D464 PolarHBondContact O-N 2.97Å; S461-D464 PolarHBondContact OG-N 3.38Å; S461-D464 PolarHBondContact OG-OD2 3.39Å; F462-D464 VanDerWaalsContact C-N 3.35Å; F462-D464 PolarHBondContact O-N 2.96Å; D464-F466 PolarHBondContact O-N 3.2Å; D464-K467 IonicContact OD1-NZ 2.74Å
465	I	50.4	Low	45.7	Very low	60 Å²	60	74.7 Å²	74.7	31%	0.308	41%	0.407	S	S	.	.	H	α-helix	trans	-63.7	-32.3	172.4	-61.7	174.5	0	0	0	110.3	K460 S461 F462 S468	K460-I465 HydrophobicContact CB-CD1 4.48Å; K460-I465 HydrophobicContact CB-CG1 3.75Å; S461-I465 PolarHBondContact O-N 3.45Å; F462-I465 PolarHBondContact O-N 3.03Å; I465-S468 PolarHBondContact O-OG 3.16Å
466	F	44.2	Very low	45.1	Very low	25 Å²	25	76.6 Å²	76.6	11%	0.11	42%	0.422	C	S	.	.	H	α-helix	trans	-99.3	-23.6	-179	-77.1	-74.7	0	0	0	115.1	F400 F462 E463 D464 S468 S469 V470 M492	F400-F466 HydrophobicContact CE2-CE2 4.32Å; F400-F466 AromaticContact CE2-CZ 3.82Å; F400-F466 HydrophobicContact CE2-CZ 3.82Å; F462-F466 HydrophobicContact CD1-CD2 4.05Å; F462-F466 HydrophobicContact CD1-CE2 4.41Å; F462-F466 HydrophobicContact CD2-CD2 4.16Å; F462-F466 AromaticContact CD2-CE2 3.85Å; F462-F466 HydrophobicContact CD2-CE2 3.85Å; F462-F466 AromaticContact CE1-CD2 3.84Å; F462-F466 HydrophobicContact CE1-CD2 3.84Å; F462-F466 AromaticContact CE1-CE2 3.97Å; F462-F466 HydrophobicContact CE1-CE2 3.97Å; F462-F466 AromaticContact CE2-CD2 3.98Å; F462-F466 HydrophobicContact CE2-CD2 3.98Å; F462-F466 AromaticContact CE2-CE2 3.37Å; F462-F466 HydrophobicContact CE2-CE2 3.37Å; F462-F466 HydrophobicContact CE2-CZ 4.34Å; F462-F466 HydrophobicContact CG-CD2 4.2Å; F462-F466 HydrophobicContact CG-CE2 4.35Å; F462-F466 AromaticContact CZ-CD2 3.8Å; F462-F466 HydrophobicContact CZ-CD2 3.8Å; F462-F466 AromaticContact CZ-CE2 3.42Å; F462-F466 HydrophobicContact CZ-CE2 3.42Å; F462-F466 VanDerWaalsContact CZ-CE2 3.42Å; F462-F466 HydrophobicContact CZ-CZ 4.28Å; F462-F466 VanDerWaalsContact O-CD2 3.31Å; F462-F466 WeakPolarHBondContact O-CD2 3.22Å; F462-F466 PolarHBondContact O-N 3.47Å; E463-F466 PolarHBondContact O-N 3.02Å; D464-F466 PolarHBondContact O-N 3.2Å; F466-S468 PolarHBondContact O-N 3.22Å; F466-S469 WeakPolarHBondContact O-CA 3.46Å; F466-S469 PolarHBondContact O-N 3.43Å; F466-V470 WeakPolarHBondContact O-CG2 3.43Å; F466-V470 PolarHBondContact O-N 3.18Å; F466-M492 HydrophobicContact CD1-CE 3.27Å; F466-M492 HydrophobicContact CD1-SD 4.21Å; F466-M492 HydrophobicContact CD2-CE 4.45Å; F466-M492 HydrophobicContact CE1-CE 3.15Å; F466-M492 HydrophobicContact CE1-SD 3.69Å; F466-M492 HydrophobicContact CE2-CE 4.38Å; F466-M492 HydrophobicContact CG-CE 3.95Å; F466-M492 HydrophobicContact CZ-CE 3.74Å; F466-M492 HydrophobicContact CZ-SD 4.4Å
467	K	42.1	Very low	44.8	Very low	88 Å²	88	79.7 Å²	79.7	38%	0.383	44%	0.438	S	S	.	.	H	α-helix	trans	-62	-23.2	175.4	-87	168.2	-171.2	157.9	0	113.1	E463 D464 S469 V470	E463-K467 HydrophobicContact CB-CD 4.42Å; E463-K467 VanDerWaalsContact O-CB 3.23Å; E463-K467 WeakPolarHBondContact O-CB 3.26Å; E463-K467 WeakPolarHBondContact O-CG 3.33Å; E463-K467 PolarHBondContact O-N 2.93Å; E463-K467 IonicContact OE2-NZ 2.63Å; E463-K467 PolarHBondContact OE2-NZ 3.32Å; D464-K467 IonicContact OD1-NZ 2.74Å; K467-S469 PolarHBondContact O-N 2.87Å; K467-V470 PolarHBondContact O-N 3.37Å
468	S	41.9	Very low	44.5	Very low	112 Å²	112	77.6 Å²	77.6	78%	0.783	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-5.1	169.2	66	0	0	0	0	113.3	I465 F466	I465-S468 PolarHBondContact O-OG 3.16Å; F466-S468 PolarHBondContact O-N 3.22Å
469	S	42.1	Very low	44.3	Very low	97 Å²	97	69.3 Å²	69.3	68%	0.678	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.3	1.1	178.8	-167.2	0	0	0	0	114.5	F466 K467	F466-S469 WeakPolarHBondContact O-CA 3.46Å; F466-S469 PolarHBondContact O-N 3.43Å; K467-S469 PolarHBondContact O-N 2.87Å
470	V	34.2	Very low	43.9	Very low	36 Å²	36	70.1 Å²	70.1	22%	0.218	40%	0.399	C	S	.	.	S	Bend	trans	-139.6	137.4	-168.8	-178.4	0	0	0	0	112.5	F466 K467	F466-V470 WeakPolarHBondContact O-CG2 3.43Å; F466-V470 PolarHBondContact O-N 3.18Å; K467-V470 PolarHBondContact O-N 3.37Å
471	D	34	Very low	43.6	Very low	131 Å²	131	65.8 Å²	65.8	70%	0.701	38%	0.38	S	S	*	.			trans	-67.6	142	172.6	-82	-35.7	0	0	0	113.5	S473	D471-S473 VanDerWaalsContact C-N 3.34Å; D471-S473 PolarHBondContact O-N 2.59Å; D471-S473 VanDerWaalsContact O-N 3.15Å
472	P	37.5	Very low	43.4	Very low	94 Å²	94	66.6 Å²	66.6	61%	0.61	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-70.1	-11.6	-165.8	23.2	-32.6	0	0	0	117.1	N474 S475	P472-N474 PolarHBondContact O-N 3.22Å; P472-S475 PolarHBondContact O-OG 3.3Å
473	S	38.6	Very low	43.4	Very low	106 Å²	106	66.7 Å²	66.7	74%	0.741	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-75.7	-17.4	-174.6	57.2	0	0	0	0	115.1	D471	D471-S473 VanDerWaalsContact C-N 3.34Å; D471-S473 PolarHBondContact O-N 2.59Å; D471-S473 VanDerWaalsContact O-N 3.15Å
474	N	39.6	Very low	43.3	Very low	77 Å²	77	66.5 Å²	66.5	41%	0.412	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-99.9	6	179.3	-80.7	-27.3	0	0	0	114.4	P472 V476	P472-N474 PolarHBondContact O-N 3.22Å; N474-V476 PolarHBondContact O-N 3.37Å
475	S	37.3	Very low	43.3	Very low	29 Å²	29	65.1 Å²	65.1	20%	0.203	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-58.7	-42.1	-174.1	47.4	0	0	0	0	114.3	P472 N477 L478	P472-S475 PolarHBondContact O-OG 3.3Å; S475-N477 PolarHBondContact O-N 3.15Å; S475-N477 VanDerWaalsContact O-N 3.1Å; S475-L478 PolarHBondContact O-N 3.42Å
476	V	39.1	Very low	43	Very low	121 Å²	121	69.5 Å²	69.5	73%	0.733	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-63.3	-24.4	-171.2	-176.4	0	0	0	0	113.6	N474	N474-V476 PolarHBondContact O-N 3.37Å
477	N	43	Very low	43.1	Very low	110 Å²	110	72.3 Å²	72.3	59%	0.588	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-90.3	-10.4	-177.1	-72.5	-22.9	0	0	0	114.4	S475	S475-N477 PolarHBondContact O-N 3.15Å; S475-N477 VanDerWaalsContact O-N 3.1Å
478	L	43.2	Very low	43.4	Very low	22 Å²	22	68.5 Å²	68.5	12%	0.115	40%	0.396	C	S	.	.	S	Bend	trans	-79.7	-22.3	-172.7	-69.7	164.9	0	0	0	113.7	R331 S475 L488	R331-L478 WeakPolarHBondContact CD-O 3.44Å; S475-L478 PolarHBondContact O-N 3.42Å; L478-L488 HydrophobicContact CD2-CD1 3.29Å
479	I	47.6	Very low	43.5	Very low	50 Å²	50	65 Å²	65	26%	0.256	37%	0.373	S	S	.	.	S	Bend	trans	-84.4	-24	-179	-61.5	171.7	0	0	0	111.6	M335 E463	M335-I479 HydrophobicContact CG-CG2 3.6Å; M335-I479 HydrophobicContact SD-CG2 4.24Å; E463-I479 HydrophobicContact CG-CD1 4.41Å; E463-I479 VanDerWaalsContact OE1-CD1 3.26Å; E463-I479 WeakPolarHBondContact OE1-CD1 3.44Å
480	H	45.2	Very low	43.4	Very low	72 Å²	72	63.3 Å²	63.3	33%	0.333	36%	0.361	S	S	.	.	S	Bend	trans	-67.7	133.1	-173.3	-164.7	-97.5	0	0	0	111.5	S482 C483	H480-S482 WeakPolarHBondContact ND1-CB 3.22Å; H480-S482 PolarHBondContact ND1-N 3.32Å; H480-S482 PolarHBondContact ND1-OG 2.79Å; H480-S482 PolarHBondContact O-N 2.87Å; H480-C483 PolarHBondContact O-N 3.4Å; H480-C483 VanDerWaalsContact O-N 3.1Å
481	P	51.3	Low	43.6	Very low	0 Å²	0	64.9 Å²	64.9	0%	0	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-0.8	178	27.7	-36.6	0	0	0	113.8	W298 R299 T302 C483	W298-P481 HydrophobicContact CD2-CB 3.78Å; W298-P481 HydrophobicContact CD2-CG 4.49Å; W298-P481 HydrophobicContact CE3-CB 3.94Å; W298-P481 HydrophobicContact CG-CB 4.15Å; W298-P481 HydrophobicContact CZ3-CB 4.39Å; R299-P481 HydrophobicContact CB-CB 4.46Å; R299-P481 HydrophobicContact CB-CG 4.36Å; T302-P481 HydrophobicContact CG2-CG 3.66Å; T302-P481 WeakPolarHBondContact OG1-CG 3.37Å; P481-C483 VanDerWaalsContact C-N 3.32Å
482	S	49.2	Very low	43.8	Very low	41 Å²	41	61 Å²	61	29%	0.287	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-33.7	168.8	63.5	0	0	0	0	113	R299 H480 T484	R299-S482 VanDerWaalsContact NH2-CA 3.33Å; R299-S482 PolarHBondContact NH2-O 3.23Å; H480-S482 WeakPolarHBondContact ND1-CB 3.22Å; H480-S482 PolarHBondContact ND1-N 3.32Å; H480-S482 PolarHBondContact ND1-OG 2.79Å; H480-S482 PolarHBondContact O-N 2.87Å; S482-T484 PolarHBondContact O-N 2.87Å
483	C	49.4	Very low	44	Very low	9 Å²	9	61.3 Å²	61.3	6%	0.061	34%	0.341	C	S	.	.	S	Bend	trans	-73.1	97.8	179.1	-149.2	0	0	0	0	108.8	H480 P481 E487	H480-C483 PolarHBondContact O-N 3.4Å; H480-C483 VanDerWaalsContact O-N 3.1Å; P481-C483 VanDerWaalsContact C-N 3.32Å; C483-E487 WeakPolarHBondContact CA-OE2 3.43Å
484	T	49.1	Very low	43.8	Very low	42 Å²	42	58.4 Å²	58.4	26%	0.258	32%	0.323	S	S	.	.			trans	-62.5	152.1	171.7	59.9	0	0	0	0	109	S482 R486 E487 L488	S482-T484 PolarHBondContact O-N 2.87Å; T484-R486 PolarHBondContact O-N 3.43Å; T484-E487 PolarHBondContact N-OE2 3.42Å; T484-E487 PolarHBondContact O-N 3.35Å; T484-E487 WeakPolarHBondContact OG1-CG 3.16Å; T484-E487 PolarHBondContact OG1-N 3.26Å; T484-E487 PolarHBondContact OG1-OE1 2.91Å; T484-L488 PolarHBondContact O-N 3.14Å
485	S	49.6	Very low	43.9	Very low	45 Å²	45	57 Å²	57	32%	0.315	31%	0.314	S	S	.	.	H	α-helix	trans	-51.4	-27.4	177.3	61.5	0	0	0	0	112.5	A489	S485-A489 VanDerWaalsContact O-CB 3.25Å; S485-A489 WeakPolarHBondContact O-CB 3.41Å; S485-A489 PolarHBondContact O-N 2.69Å
486	R	44.4	Very low	43.8	Very low	152 Å²	152	57.6 Å²	57.6	57%	0.574	32%	0.32	S	S	*	.	H	α-helix	trans	-76.9	-42.1	174.3	-167.6	-178.6	-175.1	112.1	-5.5	113.7	D284 T484 L488 A489 S490	D284-R486 IonicContact OD1-CZ 4Å; D284-R486 IonicContact OD1-NH1 3.71Å; D284-R486 PolarHBondContact OD1-NH1 3.16Å; D284-R486 IonicContact OD2-CZ 3.65Å; D284-R486 IonicContact OD2-NH1 3.9Å; D284-R486 PolarHBondContact OD2-NH1 3.14Å; T484-R486 PolarHBondContact O-N 3.43Å; R486-L488 VanDerWaalsContact C-N 3.3Å; R486-A489 PolarHBondContact O-N 2.63Å; R486-S490 VanDerWaalsContact O-CB 3.31Å; R486-S490 WeakPolarHBondContact O-CB 3.36Å; R486-S490 PolarHBondContact O-N 3.28Å; R486-S490 PolarHBondContact O-OG 3.19Å
487	E	46.1	Very low	43.8	Very low	85 Å²	85	55.8 Å²	55.8	40%	0.397	31%	0.31	S	S	.	.	H	α-helix	trans	-60.7	-43.6	172.4	-79	163.9	-147.2	0	0	110.2	C483 T484 S490 M491	C483-E487 WeakPolarHBondContact CA-OE2 3.43Å; T484-E487 PolarHBondContact N-OE2 3.42Å; T484-E487 PolarHBondContact O-N 3.35Å; T484-E487 WeakPolarHBondContact OG1-CG 3.16Å; T484-E487 PolarHBondContact OG1-N 3.26Å; T484-E487 PolarHBondContact OG1-OE1 2.91Å; E487-S490 WeakPolarHBondContact CA-OG 3.32Å; E487-S490 PolarHBondContact O-N 2.8Å; E487-S490 PolarHBondContact O-OG 3.16Å; E487-M491 WeakPolarHBondContact O-CB 3.38Å; E487-M491 VanDerWaalsContact O-CG 3.29Å; E487-M491 WeakPolarHBondContact O-CG 3.34Å; E487-M491 PolarHBondContact O-N 3.38Å
488	L	48.4	Very low	43.3	Very low	8 Å²	8	57.3 Å²	57.3	4%	0.042	31%	0.314	C	S	.	.	H	α-helix	trans	-62.7	-47.8	174.4	-174.5	70	0	0	0	111.7	F462 L478 T484 R486 S490 M491 M492	F462-L488 HydrophobicContact CZ-CD2 3.95Å; L478-L488 HydrophobicContact CD2-CD1 3.29Å; T484-L488 PolarHBondContact O-N 3.14Å; R486-L488 VanDerWaalsContact C-N 3.3Å; L488-S490 VanDerWaalsContact C-N 3.28Å; L488-S490 PolarHBondContact O-N 3.35Å; L488-M491 PolarHBondContact O-N 2.94Å; L488-M492 HydrophobicContact CD1-CE 3.98Å; L488-M492 HydrophobicContact CD2-CE 4.21Å; L488-M492 HydrophobicContact CG-CE 4.02Å; L488-M492 WeakPolarHBondContact O-CB 3.5Å; L488-M492 WeakPolarHBondContact O-CG 3.16Å; L488-M492 PolarHBondContact O-N 2.87Å
489	A	45.8	Very low	42.7	Very low	37 Å²	37	59.5 Å²	59.5	31%	0.306	33%	0.33	S	S	.	.	H	α-helix	trans	-59.7	-39.4	175.5	0	0	0	0	0	111.6	S485 R486 M492 I493	S485-A489 VanDerWaalsContact O-CB 3.25Å; S485-A489 WeakPolarHBondContact O-CB 3.41Å; S485-A489 PolarHBondContact O-N 2.69Å; R486-A489 PolarHBondContact O-N 2.63Å; A489-M492 PolarHBondContact O-N 2.92Å; A489-I493 WeakPolarHBondContact O-CB 3.4Å; A489-I493 WeakPolarHBondContact O-CD1 3.33Å; A489-I493 WeakPolarHBondContact O-CG1 3.44Å; A489-I493 PolarHBondContact O-N 3.49Å
490	S	38.8	Very low	41.9	Very low	63 Å²	63	61 Å²	61	44%	0.441	35%	0.346	S	S	.	.	H	α-helix	trans	-70	-36.3	176.5	73.4	0	0	0	0	112.9	R486 E487 L488 I493 A494	R486-S490 VanDerWaalsContact O-CB 3.31Å; R486-S490 WeakPolarHBondContact O-CB 3.36Å; R486-S490 PolarHBondContact O-N 3.28Å; R486-S490 PolarHBondContact O-OG 3.19Å; E487-S490 WeakPolarHBondContact CA-OG 3.32Å; E487-S490 PolarHBondContact O-N 2.8Å; E487-S490 PolarHBondContact O-OG 3.16Å; L488-S490 VanDerWaalsContact C-N 3.28Å; L488-S490 PolarHBondContact O-N 3.35Å; S490-I493 PolarHBondContact O-N 2.91Å; S490-A494 VanDerWaalsContact O-CB 3.28Å; S490-A494 WeakPolarHBondContact O-CB 3.32Å; S490-A494 PolarHBondContact O-N 3.21Å
491	M	38.4	Very low	41	Very low	69 Å²	69	64.9 Å²	64.9	34%	0.34	37%	0.368	S	S	.	.	H	α-helix	trans	-67.2	-39.7	172.3	-75.5	178.4	64.3	0	0	110.8	E487 L488 A494 Q495	E487-M491 WeakPolarHBondContact O-CB 3.38Å; E487-M491 VanDerWaalsContact O-CG 3.29Å; E487-M491 WeakPolarHBondContact O-CG 3.34Å; E487-M491 PolarHBondContact O-N 3.38Å; L488-M491 PolarHBondContact O-N 2.94Å; M491-A494 PolarHBondContact O-N 3.27Å; M491-Q495 VanDerWaalsContact O-CB 3.31Å; M491-Q495 WeakPolarHBondContact O-CB 3.34Å; M491-Q495 VanDerWaalsContact O-CG 3.24Å; M491-Q495 WeakPolarHBondContact O-CG 3.39Å; M491-Q495 PolarHBondContact O-N 3.48Å
492	M	38.7	Very low	39.8	Very low	48 Å²	48	71.6 Å²	71.6	24%	0.236	40%	0.403	C	S	.	.	H	α-helix	trans	-68.1	-39.2	174.5	-74.5	-167.2	177	0	0	112.3	F466 L488 A489 Q495 A496	F466-M492 HydrophobicContact CD1-CE 3.27Å; F466-M492 HydrophobicContact CD1-SD 4.21Å; F466-M492 HydrophobicContact CD2-CE 4.45Å; F466-M492 HydrophobicContact CE1-CE 3.15Å; F466-M492 HydrophobicContact CE1-SD 3.69Å; F466-M492 HydrophobicContact CE2-CE 4.38Å; F466-M492 HydrophobicContact CG-CE 3.95Å; F466-M492 HydrophobicContact CZ-CE 3.74Å; F466-M492 HydrophobicContact CZ-SD 4.4Å; L488-M492 HydrophobicContact CD1-CE 3.98Å; L488-M492 HydrophobicContact CD2-CE 4.21Å; L488-M492 HydrophobicContact CG-CE 4.02Å; L488-M492 WeakPolarHBondContact O-CB 3.5Å; L488-M492 WeakPolarHBondContact O-CG 3.16Å; L488-M492 PolarHBondContact O-N 2.87Å; A489-M492 PolarHBondContact O-N 2.92Å; M492-Q495 PolarHBondContact O-N 2.95Å; M492-A496 WeakPolarHBondContact O-CB 3.47Å; M492-A496 PolarHBondContact O-N 2.9Å
493	I	41	Very low	38.6	Very low	102 Å²	102	76.8 Å²	76.8	52%	0.523	43%	0.428	S	S	.	.	H	α-helix	trans	-61.8	-49	171.7	-70.1	161.1	0	0	0	109.3	A489 S490 Q495 A496 T497	A489-I493 WeakPolarHBondContact O-CB 3.4Å; A489-I493 WeakPolarHBondContact O-CD1 3.33Å; A489-I493 WeakPolarHBondContact O-CG1 3.44Å; A489-I493 PolarHBondContact O-N 3.49Å; S490-I493 PolarHBondContact O-N 2.91Å; I493-Q495 VanDerWaalsContact C-N 3.3Å; I493-Q495 PolarHBondContact O-N 3.18Å; I493-A496 PolarHBondContact O-N 3.46Å; I493-T497 VanDerWaalsContact O-CG2 3.31Å; I493-T497 WeakPolarHBondContact O-CG2 3.47Å; I493-T497 PolarHBondContact O-N 2.6Å; I493-T497 PolarHBondContact O-OG1 3.21Å; I493-T497 VanDerWaalsContact O-OG1 3.09Å
494	A	35.7	Very low	37.4	Very low	44 Å²	44	81.3 Å²	81.3	36%	0.364	46%	0.459	S	S	.	.	H	α-helix	trans	-61.4	-36.9	178.8	0	0	0	0	0	112.6	S490 M491 T497 Q498	S490-A494 VanDerWaalsContact O-CB 3.28Å; S490-A494 WeakPolarHBondContact O-CB 3.32Å; S490-A494 PolarHBondContact O-N 3.21Å; M491-A494 PolarHBondContact O-N 3.27Å; A494-T497 WeakPolarHBondContact CA-OG1 3.49Å; A494-T497 PolarHBondContact O-OG1 2.94Å; A494-Q498 WeakPolarHBondContact O-CG 3.47Å; A494-Q498 PolarHBondContact O-N 3.18Å
495	Q	40.6	Very low	36.2	Very low	49 Å²	49	85.6 Å²	85.6	23%	0.229	49%	0.486	C	S	.	.	H	α-helix	trans	-77.8	-41.1	178.2	-75.5	176	-9	0	0	112.8	M491 M492 I493 T497 Q498 S499	M491-Q495 VanDerWaalsContact O-CB 3.31Å; M491-Q495 WeakPolarHBondContact O-CB 3.34Å; M491-Q495 VanDerWaalsContact O-CG 3.24Å; M491-Q495 WeakPolarHBondContact O-CG 3.39Å; M491-Q495 PolarHBondContact O-N 3.48Å; M492-Q495 PolarHBondContact O-N 2.95Å; I493-Q495 VanDerWaalsContact C-N 3.3Å; I493-Q495 PolarHBondContact O-N 3.18Å; Q495-T497 PolarHBondContact O-N 2.62Å; Q495-Q498 CarbonylContact O-C 3.6Å; Q495-Q498 WeakPolarHBondContact O-CA 3.31Å; Q495-Q498 WeakPolarHBondContact O-CB 3.38Å; Q495-Q498 PolarHBondContact O-N 2.74Å; Q495-S499 PolarHBondContact O-N 2.77Å
496	A	36.4	Very low	34.9	Very low	40 Å²	40	87.6 Å²	87.6	33%	0.331	50%	0.5	S	S	.	.	H	α-helix	trans	-64.4	-32.1	175.5	0	0	0	0	0	111.7	M492 I493 Q498 S499 S500	M492-A496 WeakPolarHBondContact O-CB 3.47Å; M492-A496 PolarHBondContact O-N 2.9Å; I493-A496 PolarHBondContact O-N 3.46Å; A496-Q498 PolarHBondContact O-N 3.4Å; A496-S499 PolarHBondContact O-N 2.88Å; A496-S499 PolarHBondContact O-OG 3.33Å; A496-S500 WeakPolarHBondContact O-CB 3.38Å; A496-S500 PolarHBondContact O-N 3.34Å; A496-S500 PolarHBondContact O-OG 2.99Å
497	T	37.9	Very low	33.9	Very low	84 Å²	84	86.7 Å²	86.7	52%	0.515	51%	0.511	S	S	.	.	H	α-helix	trans	-68.6	-23.3	170.5	54.7	0	0	0	0	113.2	I493 A494 Q495 S500	I493-T497 VanDerWaalsContact O-CG2 3.31Å; I493-T497 WeakPolarHBondContact O-CG2 3.47Å; I493-T497 PolarHBondContact O-N 2.6Å; I493-T497 PolarHBondContact O-OG1 3.21Å; I493-T497 VanDerWaalsContact O-OG1 3.09Å; A494-T497 WeakPolarHBondContact CA-OG1 3.49Å; A494-T497 PolarHBondContact O-OG1 2.94Å; Q495-T497 PolarHBondContact O-N 2.62Å; T497-S500 PolarHBondContact O-OG 2.88Å
498	Q	33.2	Very low	32.7	Very low	142 Å²	142	87.4 Å²	87.4	66%	0.664	52%	0.521	S	S	*	.	H	α-helix	trans	-82.8	-37.2	174	-69.4	171.2	10.7	0	0	111.7	A494 Q495 A496	A494-Q498 WeakPolarHBondContact O-CG 3.47Å; A494-Q498 PolarHBondContact O-N 3.18Å; Q495-Q498 CarbonylContact O-C 3.6Å; Q495-Q498 WeakPolarHBondContact O-CA 3.31Å; Q495-Q498 WeakPolarHBondContact O-CB 3.38Å; Q495-Q498 PolarHBondContact O-N 2.74Å; A496-Q498 PolarHBondContact O-N 3.4Å
499	S	30.2	Very low	31.4	Very low	67 Å²	67	95.8 Å²	95.8	47%	0.469	56%	0.56	S	S	.	*	H	α-helix	trans	-74.2	-24.5	176.9	71.8	0	0	0	0	113.1	Q495 A496 L501 L502	Q495-S499 PolarHBondContact O-N 2.77Å; A496-S499 PolarHBondContact O-N 2.88Å; A496-S499 PolarHBondContact O-OG 3.33Å; S499-L501 PolarHBondContact O-N 3.32Å; S499-L502 PolarHBondContact O-N 2.88Å
500	S	31.5	Very low	30.4	Very low	82 Å²	82	101.3 Å²	101.3	57%	0.573	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	-4.2	178.1	57.9	0	0	0	0	115.6	A496 T497	A496-S500 WeakPolarHBondContact O-CB 3.38Å; A496-S500 PolarHBondContact O-N 3.34Å; A496-S500 PolarHBondContact O-OG 2.99Å; T497-S500 PolarHBondContact O-OG 2.88Å
501	L	26.5	Very low	29.6	Very low	153 Å²	153	105.2 Å²	105.2	80%	0.801	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	-8.8	169.5	-78.5	164.1	0	0	0	113.2	S499	S499-L501 PolarHBondContact O-N 3.32Å
502	L	26	Very low	29	Very low	141 Å²	141	107 Å²	107	74%	0.738	62%	0.619	S	S	*	*	S	Bend	trans	-122.2	88.5	174.1	-71.3	162.9	0	0	0	108	S499	S499-L502 PolarHBondContact O-N 2.88Å
503	D	23.9	Very low	28.3	Very low	151 Å²	151	110.7 Å²	110.7	81%	0.807	65%	0.645	S	S	*	*	S	Bend	trans	153.3	41.1	154.5	-76.9	-12	0	0	0	113.1
504	S	24.3	Very low	27.5	Very low	104 Å²	104	111.1 Å²	111.1	73%	0.727	66%	0.656	S	S	*	*	S	Bend	trans	-118	17.5	160.7	73.3	0	0	0	0	113.7
505	T	23	Very low	27.1	Very low	132 Å²	132	116.7 Å²	116.7	81%	0.81	68%	0.68	S	S	*	*			trans	-135.2	62.8	173.7	57	0	0	0	0	111.2
506	S	22.6	Very low	26.3	Very low	87 Å²	87	123.3 Å²	123.3	61%	0.608	71%	0.711	S	S	*	*			trans	-144.4	52.6	152.7	69.1	0	0	0	0	110.2	T508	S506-T508 PolarHBondContact O-N 3.15Å; S506-T508 VanDerWaalsContact O-N 3.08Å
507	T	22.3	Very low	25.8	Very low	133 Å²	133	126.4 Å²	126.4	82%	0.816	73%	0.728	S	S	*	*			trans	-72.2	68.5	140.2	51.3	0	0	0	0	106.7	E509	T507-E509 PolarHBondContact O-N 3.46Å
508	T	21.8	Very low	25.2	Very low	99 Å²	99	128.2 Å²	128.2	61%	0.607	74%	0.739	S	S	*	*			trans	-74.5	88.7	168.4	44.8	0	0	0	0	106.4	S506 L510	S506-T508 PolarHBondContact O-N 3.15Å; S506-T508 VanDerWaalsContact O-N 3.08Å; T508-L510 VanDerWaalsContact C-N 3.25Å; T508-L510 PolarHBondContact O-N 3.33Å
509	E	21.7	Very low	24.8	Very low	184 Å²	184	128 Å²	128	86%	0.86	74%	0.741	S	S	*	*			trans	-47.9	100.6	144.1	-65.8	179.4	163.3	0	0	106.3	T507	T507-E509 PolarHBondContact O-N 3.46Å
510	L	23.8	Very low	24.7	Very low	153 Å²	153	134.9 Å²	134.9	80%	0.801	76%	0.758	S	S	*	*			trans	-114.2	107.7	168.1	-84.4	168.1	0	0	0	107.3	T508	T508-L510 VanDerWaalsContact C-N 3.25Å; T508-L510 PolarHBondContact O-N 3.33Å
511	D	22.9	Very low	24.3	Very low	145 Å²	145	139.4 Å²	139.4	78%	0.775	77%	0.77	S	S	*	*			trans	-43.1	149.1	176.1	-73.9	-49.7	0	0	0	114	T513	D511-T513 PolarHBondContact O-N 3.26Å; D511-T513 VanDerWaalsContact O-N 3.13Å
512	S	24.8	Very low	24.3	Very low	106 Å²	106	138.2 Å²	138.2	74%	0.741	77%	0.769	S	S	*	*	S	Bend	trans	-35.7	110.2	158.2	52.2	0	0	0	0	113.2
513	T	25.2	Very low	24.7	Very low	127 Å²	127	136.2 Å²	136.2	78%	0.779	76%	0.764	S	S	*	*			trans	-175	119.1	131.6	33.7	0	0	0	0	109.6	D511 N515	D511-T513 PolarHBondContact O-N 3.26Å; D511-T513 VanDerWaalsContact O-N 3.13Å; T513-N515 PolarHBondContact O-N 3.47Å
514	S	23.5	Very low	24.9	Very low	110 Å²	110	138.2 Å²	138.2	77%	0.769	77%	0.769	S	S	*	*			trans	8	105	158.5	56.7	0	0	0	0	117.7
515	N	27.5	Very low	25.8	Very low	161 Å²	161	137.2 Å²	137.2	86%	0.861	76%	0.762	S	S	*	*			trans	-154.1	126	138.1	-89.7	-30.4	0	0	0	107.5	T513	T513-N515 PolarHBondContact O-N 3.47Å
516	E	22.7	Very low	27.2	Very low	188 Å²	188	133.8 Å²	133.8	88%	0.879	74%	0.742	S	S	*	*			trans	-51.1	125.7	-171.1	-66.9	175.9	150.1	0	0	111.5	V518	E516-V518 PolarHBondContact O-N 2.68Å
517	P	27.6	Very low	28.7	Very low	105 Å²	105	138.9 Å²	138.9	68%	0.682	76%	0.756	S	S	*	*			trans	-69.2	123.1	173.4	28.4	-30.1	0	0	0	107.5	I519	P517-I519 PolarHBondContact O-N 3.29Å
518	V	24.8	Very low	30.8	Very low	123 Å²	123	134 Å²	134	75%	0.745	72%	0.724	S	S	*	*			trans	-59.8	96.8	160.5	177	0	0	0	0	105.8	E516 Y520	E516-V518 PolarHBondContact O-N 2.68Å; V518-Y520 PolarHBondContact O-N 3.43Å
519	I	25	Very low	33.1	Very low	137 Å²	137	135.1 Å²	135.1	70%	0.703	73%	0.726	S	S	*	*			trans	-62.4	102.7	173.7	-62.6	168.7	0	0	0	105.2	P517 E521	P517-I519 PolarHBondContact O-N 3.29Å; I519-E521 VanDerWaalsContact C-N 3.28Å; I519-E521 PolarHBondContact O-N 3.12Å
520	Y	27.6	Very low	35.4	Very low	212 Å²	212	128 Å²	128	83%	0.831	69%	0.691	S	S	*	*			trans	-61.5	103.3	154.5	-73.9	-83.8	0	0	0	105.5	V518 T522	V518-Y520 PolarHBondContact O-N 3.43Å; Y520-T522 PolarHBondContact O-N 3.02Å
521	E	22.6	Very low	37.8	Very low	176 Å²	176	128.1 Å²	128.1	82%	0.822	69%	0.692	S	S	*	*			trans	-49.7	109.7	172.7	-71.7	178.7	162.2	0	0	108.1	I519 P523	I519-E521 VanDerWaalsContact C-N 3.28Å; I519-E521 PolarHBondContact O-N 3.12Å; E521-P523 VanDerWaalsContact O-CD 3.23Å; E521-P523 WeakPolarHBondContact O-CD 3.08Å; E521-P523 VanDerWaalsContact O-N 3.15Å
522	T	25.9	Very low	40.4	Very low	129 Å²	129	124.6 Å²	124.6	79%	0.791	67%	0.674	S	S	*	*			trans	-61.9	113.9	169.1	41.8	0	0	0	0	106.9	Y520 E524	Y520-T522 PolarHBondContact O-N 3.02Å; T522-E524 PolarHBondContact O-N 3.4Å
523	P	34.4	Very low	42.9	Very low	98 Å²	98	122.4 Å²	122.4	64%	0.636	66%	0.656	S	S	*	*			trans	-60.1	129.1	-178.1	22.7	-30.9	0	0	0	108.6	E521 S525	E521-P523 VanDerWaalsContact O-CD 3.23Å; E521-P523 WeakPolarHBondContact O-CD 3.08Å; E521-P523 VanDerWaalsContact O-N 3.15Å; P523-S525 PolarHBondContact O-N 3.22Å
524	E	30	Very low	45.4	Very low	194 Å²	194	121.6 Å²	121.6	91%	0.907	65%	0.645	S	S	*	*			trans	-44.9	100.2	-180	-64	177.1	161.1	0	0	110.4	T522 P526	T522-E524 PolarHBondContact O-N 3.4Å; E524-P526 WeakPolarHBondContact O-CD 3.24Å
525	S	43.3	Very low	48.1	Very low	82 Å²	82	117.6 Å²	117.6	57%	0.573	62%	0.615	S	S	*	*			trans	-66.9	124.2	174.8	54.7	0	0	0	0	108.3	P523 Q527	P523-S525 PolarHBondContact O-N 3.22Å; S525-Q527 PolarHBondContact O-N 2.67Å; S525-Q527 VanDerWaalsContact O-N 3.11Å
526	P	51.6	Low	50.6	Low	61 Å²	61	110 Å²	110	40%	0.396	57%	0.574	S	S	.	*			trans	-62.8	118.6	175.8	22.7	-30.5	0	0	0	108.8	E524 F528 I541	E524-P526 WeakPolarHBondContact O-CD 3.24Å; P526-F528 HydrophobicContact CB-CD2 4.24Å; P526-F528 HydrophobicContact CB-CE2 4.04Å; P526-F528 HydrophobicContact CG-CD2 4.14Å; P526-F528 HydrophobicContact CG-CE2 3.69Å; P526-F528 WeakPolarHBondContact O-CD2 3.14Å; P526-F528 PolarHBondContact O-N 3.25Å; P526-I541 HydrophobicContact CB-CD1 4.27Å; P526-I541 HydrophobicContact CG-CD1 3.73Å
527	Q	54.2	Low	53.4	Low	194 Å²	194	102.3 Å²	102.3	91%	0.907	54%	0.539	S	S	*	.			trans	-68.6	103.6	172.8	-67.7	-178.1	0.3	0	0	108.2	S525	S525-Q527 PolarHBondContact O-N 2.67Å; S525-Q527 VanDerWaalsContact O-N 3.11Å
528	F	65	Low	55.9	Low	30 Å²	30	105.9 Å²	105.9	13%	0.132	54%	0.539	C	S	.	.			trans	-90	125.5	178.6	-85.3	-77	0	0	0	111.6	P526 W530 L535 I541 I553	P526-F528 HydrophobicContact CB-CD2 4.24Å; P526-F528 HydrophobicContact CB-CE2 4.04Å; P526-F528 HydrophobicContact CG-CD2 4.14Å; P526-F528 HydrophobicContact CG-CE2 3.69Å; P526-F528 WeakPolarHBondContact O-CD2 3.14Å; P526-F528 PolarHBondContact O-N 3.25Å; F528-W530 VanDerWaalsContact C-N 3.32Å; F528-W530 HydrophobicContact CB-CD2 4.25Å; F528-W530 HydrophobicContact CB-CZ2 4.08Å; F528-W530 PolarHBondContact O-N 2.93Å; F528-L535 HydrophobicContact CD1-CD1 4.4Å; F528-I541 HydrophobicContact CE1-CD1 4.35Å; F528-I541 HydrophobicContact CE1-CG1 4.37Å; F528-I541 HydrophobicContact CE2-CD1 3.48Å; F528-I541 VanDerWaalsContact CE2-CD1 3.48Å; F528-I541 HydrophobicContact CE2-CG1 4.32Å; F528-I541 HydrophobicContact CZ-CB 4.01Å; F528-I541 HydrophobicContact CZ-CD1 3.2Å; F528-I541 HydrophobicContact CZ-CG1 3.54Å; F528-I553 HydrophobicContact CD2-CG2 4.38Å; F528-I553 HydrophobicContact CE2-CD1 4.24Å; F528-I553 HydrophobicContact CE2-CG2 4.43Å
529	D	70.6	Confident	58.6	Low	122 Å²	122	100.6 Å²	100.6	65%	0.652	51%	0.507	S	S	*	.			trans	-74.5	84.3	167.2	-77.3	-20.8	0	0	0	110.4	N531 N532 L535	D529-N531 PolarHBondContact O-N 2.89Å; D529-N532 HydrophobicContact CB-CB 4.27Å; D529-N532 PolarHBondContact O-N 3.21Å; D529-L535 WeakPolarHBondContact O-CD1 3.47Å
530	W	71.4	Confident	60.8	Low	36 Å²	36	99.5 Å²	99.5	14%	0.136	51%	0.509	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-7.4	-179.3	-66.7	112.9	0	0	0	115.6	F528 I553 C554 P556 L561 W564 Q565 L569	F528-W530 VanDerWaalsContact C-N 3.32Å; F528-W530 HydrophobicContact CB-CD2 4.25Å; F528-W530 HydrophobicContact CB-CZ2 4.08Å; F528-W530 PolarHBondContact O-N 2.93Å; W530-I553 HydrophobicContact CH2-CG2 4.08Å; W530-I553 HydrophobicContact CZ2-CG2 3.91Å; W530-C554 WeakPolarHBondContact CZ2-O 3.11Å; W530-P556 HydrophobicContact CG-CB 4.31Å; W530-L561 HydrophobicContact CE3-CD2 3.98Å; W530-L561 HydrophobicContact CH2-CD2 3.65Å; W530-L561 HydrophobicContact CZ2-CD2 4.22Å; W530-L561 HydrophobicContact CZ3-CD2 3.52Å; W530-W564 WeakPolarHBondContact O-CH2 3.32Å; W530-Q565 HydrophobicContact CE3-CB 4.03Å; W530-Q565 HydrophobicContact CE3-CG 3.97Å; W530-Q565 HydrophobicContact CZ3-CB 3.96Å; W530-Q565 HydrophobicContact CZ3-CG 4.42Å; W530-Q565 PolarHBondContact O-NE2 3.17Å; W530-L569 HydrophobicContact CH2-CD1 4.42Å; W530-L569 HydrophobicContact CH2-CD2 3.98Å; W530-L569 HydrophobicContact CH2-CG 4.4Å
531	N	73.6	Confident	63.1	Low	154 Å²	154	90.9 Å²	90.9	82%	0.824	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-12.6	176.1	-67.2	-26.8	0	0	0	113	D529 T533	D529-N531 PolarHBondContact O-N 2.89Å; N531-T533 PolarHBondContact O-N 3.07Å; N531-T533 VanDerWaalsContact O-N 3.16Å
532	N	77.6	Confident	65.8	Low	71 Å²	71	83.8 Å²	83.8	38%	0.38	45%	0.445	S	S	.	.			trans	-79.3	101.5	-178.9	-173.2	1	0	0	0	110.9	D529 M534 L535	D529-N532 HydrophobicContact CB-CB 4.27Å; D529-N532 PolarHBondContact O-N 3.21Å; N532-M534 PolarHBondContact O-N 2.94Å; N532-M534 VanDerWaalsContact OD1-CB 3.29Å; N532-M534 WeakPolarHBondContact OD1-CB 3.39Å; N532-M534 PolarHBondContact OD1-N 2.97Å; N532-L535 HydrophobicContact CB-CD1 4.18Å; N532-L535 HydrophobicContact CB-CG 4.17Å; N532-L535 WeakPolarHBondContact O-CB 3.32Å; N532-L535 PolarHBondContact O-N 3.49Å
533	T	77.6	Confident	68.3	Low	61 Å²	61	77.7 Å²	77.7	37%	0.374	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-61.9	-23.3	178.6	59.5	0	0	0	0	113.1	N531 L535 A536 P601 W618	N531-T533 PolarHBondContact O-N 3.07Å; N531-T533 VanDerWaalsContact O-N 3.16Å; T533-L535 PolarHBondContact O-N 3.06Å; T533-A536 WeakPolarHBondContact O-CB 3.37Å; T533-A536 PolarHBondContact O-N 2.93Å; T533-A536 VanDerWaalsContact O-N 3.08Å; T533-P601 HydrophobicContact CG2-CB 4.4Å; T533-W618 WeakPolarHBondContact O-CH2 3.44Å; T533-W618 WeakPolarHBondContact O-CZ2 3.25Å
534	M	78	Confident	70.5	Confident	110 Å²	110	73.5 Å²	73.5	54%	0.542	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-64.8	-21.4	178.7	-64.1	-63.9	-71.5	0	0	113.2	N532 A536 L537 R538	N532-M534 PolarHBondContact O-N 2.94Å; N532-M534 VanDerWaalsContact OD1-CB 3.29Å; N532-M534 WeakPolarHBondContact OD1-CB 3.39Å; N532-M534 PolarHBondContact OD1-N 2.97Å; M534-A536 PolarHBondContact O-N 2.87Å; M534-L537 HydrophobicContact CE-CD1 3.66Å; M534-L537 WeakPolarHBondContact O-CB 3.32Å; M534-L537 PolarHBondContact O-N 3.29Å; M534-L537 HydrophobicContact SD-CD1 3.97Å; M534-R538 PolarHBondContact O-N 3.37Å
535	L	78.7	Confident	72.7	Confident	26 Å²	26	67.5 Å²	67.5	14%	0.136	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-61.3	-25.3	174	-66.7	173.8	0	0	0	112.4	F528 D529 N532 T533 L537 R538 A568	F528-L535 HydrophobicContact CD1-CD1 4.4Å; D529-L535 WeakPolarHBondContact O-CD1 3.47Å; N532-L535 HydrophobicContact CB-CD1 4.18Å; N532-L535 HydrophobicContact CB-CG 4.17Å; N532-L535 WeakPolarHBondContact O-CB 3.32Å; N532-L535 PolarHBondContact O-N 3.49Å; T533-L535 PolarHBondContact O-N 3.06Å; L535-L537 VanDerWaalsContact C-N 3.32Å; L535-R538 CarbonylContact O-C 3.43Å; L535-A568 HydrophobicContact CB-CB 3.85Å; L535-A568 WeakPolarHBondContact O-CB 3.29Å
536	A	79.4	Confident	74	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-72.1	-23.7	174.5	0	0	0	0	0	112.9	T533 M534 W564 G572 L573 P601 W618	T533-A536 WeakPolarHBondContact O-CB 3.37Å; T533-A536 PolarHBondContact O-N 2.93Å; T533-A536 VanDerWaalsContact O-N 3.08Å; M534-A536 PolarHBondContact O-N 2.87Å; A536-W564 HydrophobicContact CB-CB 4.32Å; A536-W564 HydrophobicContact CB-CE3 4.23Å; A536-G572 WeakPolarHBondContact O-CA 3.27Å; A536-L573 PolarHBondContact O-N 3.06Å; A536-P601 HydrophobicContact CB-CG 4.1Å; A536-W618 HydrophobicContact CB-CH2 3.68Å; A536-W618 HydrophobicContact CB-CZ3 3.93Å
537	L	81.5	Confident	74.6	Confident	28 Å²	28	66.6 Å²	66.6	15%	0.147	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-56.2	171.5	-73.7	173.7	0	0	0	110.3	M534 L535 L573 Y574 W618 E621	M534-L537 HydrophobicContact CE-CD1 3.66Å; M534-L537 WeakPolarHBondContact O-CB 3.32Å; M534-L537 PolarHBondContact O-N 3.29Å; M534-L537 HydrophobicContact SD-CD1 3.97Å; L535-L537 VanDerWaalsContact C-N 3.32Å; L537-L573 PolarHBondContact O-N 2.79Å; L537-Y574 HydrophobicContact CB-CD2 4.42Å; L537-Y574 HydrophobicContact CD2-CE2 4.29Å; L537-Y574 WeakPolarHBondContact O-CD2 3.28Å; L537-Y574 PolarHBondContact O-N 2.83Å; L537-W618 HydrophobicContact CB-CH2 4.42Å; L537-W618 HydrophobicContact CB-CZ3 4.27Å; L537-W618 HydrophobicContact CD1-CH2 4.33Å; L537-W618 HydrophobicContact CD1-CZ3 4.37Å; L537-W618 HydrophobicContact CD2-CE3 3.79Å; L537-W618 HydrophobicContact CD2-CH2 4.07Å; L537-W618 HydrophobicContact CD2-CZ3 3.32Å; L537-W618 HydrophobicContact CG-CE3 4.21Å; L537-W618 HydrophobicContact CG-CH2 3.55Å; L537-W618 HydrophobicContact CG-CZ3 3.33Å; L537-E621 HydrophobicContact CD2-CB 4.38Å; L537-E621 HydrophobicContact CD2-CG 4.02Å
538	R	80.2	Confident	74.9	Confident	179 Å²	179	65.2 Å²	65.2	68%	0.675	34%	0.344	S	S	*	.			trans	-144.7	121.3	-178.5	-169.5	174.2	-174.2	171	3.3	108.6	M534 L535	M534-R538 PolarHBondContact O-N 3.37Å; L535-R538 CarbonylContact O-C 3.43Å
539	S	81.6	Confident	74.8	Confident	12 Å²	12	71.7 Å²	71.7	8%	0.084	37%	0.372	C	S	.	.			trans	-112.5	154.1	172.3	73.7	0	0	0	0	110.3	I541 A568 G571 G572	S539-I541 VanDerWaalsContact C-N 3.26Å; S539-I541 PolarHBondContact O-N 3.14Å; S539-I541 PolarHBondContact OG-O 2.66Å; S539-A568 WeakPolarHBondContact CB-O 2.95Å; S539-A568 PolarHBondContact OG-O 3.31Å; S539-G571 PolarHBondContact N-O 2.74Å; S539-G571 VanDerWaalsContact N-O 3.09Å; S539-G571 WeakPolarHBondContact OG-CA 3.28Å; S539-G571 PolarHBondContact OG-N 3.43Å; S539-G571 PolarHBondContact OG-O 3.35Å; S539-G572 PolarHBondContact OG-N 3.1Å
540	P	71.9	Confident	74.3	Confident	114 Å²	114	69.5 Å²	69.5	74%	0.74	36%	0.364	S	S	*	.	S	Bend	trans	-76.2	-14.5	177.2	29.8	-33.9	0	0	0	113
541	I	75.5	Confident	74.1	Confident	32 Å²	32	69.9 Å²	69.9	16%	0.164	37%	0.368	C	S	.	.			trans	-111.5	132	-175.4	-57.3	-160.2	0	0	0	110	P526 F528 S539 L543 I553 G571	P526-I541 HydrophobicContact CB-CD1 4.27Å; P526-I541 HydrophobicContact CG-CD1 3.73Å; F528-I541 HydrophobicContact CE1-CD1 4.35Å; F528-I541 HydrophobicContact CE1-CG1 4.37Å; F528-I541 HydrophobicContact CE2-CD1 3.48Å; F528-I541 VanDerWaalsContact CE2-CD1 3.48Å; F528-I541 HydrophobicContact CE2-CG1 4.32Å; F528-I541 HydrophobicContact CZ-CB 4.01Å; F528-I541 HydrophobicContact CZ-CD1 3.2Å; F528-I541 HydrophobicContact CZ-CG1 3.54Å; S539-I541 VanDerWaalsContact C-N 3.26Å; S539-I541 PolarHBondContact O-N 3.14Å; S539-I541 PolarHBondContact OG-O 2.66Å; I541-L543 HydrophobicContact CG2-CD2 3.91Å; I541-L543 HydrophobicContact CG2-CG 4.19Å; I541-I553 HydrophobicContact CG2-CD1 4.5Å; I541-G571 VanDerWaalsContact O-CA 3.24Å; I541-G571 WeakPolarHBondContact O-CA 3.29Å; I541-G571 PolarHBondContact O-N 2.7Å
542	N	79.1	Confident	73.5	Confident	27 Å²	27	64.9 Å²	64.9	14%	0.144	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-127.5	98.1	173.5	-159.8	-29	0	0	0	110.9	L544 L545 V570 G575 I579	N542-L544 PolarHBondContact O-N 2.89Å; N542-L544 PolarHBondContact OD1-N 2.95Å; N542-L545 HydrophobicContact CB-CD1 4.26Å; N542-L545 HydrophobicContact CB-CG 4.44Å; N542-L545 PolarHBondContact O-N 3.45Å; N542-V570 PolarHBondContact ND2-O 2.87Å; N542-V570 PolarHBondContact OD1-O 3.21Å; N542-G575 PolarHBondContact ND2-O 2.98Å; N542-I579 WeakPolarHBondContact ND2-CD1 3.21Å; N542-I579 VanDerWaalsContact OD1-CD1 3.29Å; N542-I579 WeakPolarHBondContact OD1-CD1 3.36Å
543	L	79.2	Confident	72.9	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-7.5	-179.1	-64.2	-179	0	0	0	114.1	L410 H414 I452 V454 I541 L545 I551 I553 L569	L410-L543 HydrophobicContact CD1-CB 4.46Å; L410-L543 HydrophobicContact CD1-CD1 4.01Å; L410-L543 HydrophobicContact CD2-CB 4.34Å; H414-L543 PolarHBondContact CE1-O 3.47Å; H414-L543 PolarHBondContact NE2-O 3.41Å; I452-L543 HydrophobicContact CG2-CD1 3.74Å; V454-L543 HydrophobicContact CG2-CD2 4.08Å; I541-L543 HydrophobicContact CG2-CD2 3.91Å; I541-L543 HydrophobicContact CG2-CG 4.19Å; L543-L545 VanDerWaalsContact C-N 3.33Å; L543-I551 HydrophobicContact CD2-CD1 4.4Å; L543-I551 HydrophobicContact CD2-CG2 4.43Å; L543-I553 HydrophobicContact CD1-CD1 4.1Å; L543-I553 HydrophobicContact CD2-CD1 4.02Å; L543-I553 HydrophobicContact CG-CD1 4.41Å; L543-L569 HydrophobicContact CD1-CB 3.94Å; L543-L569 HydrophobicContact CG-CB 4.49Å; L543-L569 VanDerWaalsContact CG-O 3.32Å; L543-L569 WeakPolarHBondContact CG-O 3.41Å; L543-L569 PolarHBondContact N-O 2.97Å
544	L	80.3	Confident	72.1	Confident	11 Å²	11	62 Å²	62	6%	0.058	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-19.1	174.6	-69.6	-179.1	0	0	0	113.1	L410 W413 F429 L432 N542 V570 I579	L410-L544 HydrophobicContact CD2-CD2 4.07Å; W413-L544 HydrophobicContact CD2-CD2 4.34Å; W413-L544 HydrophobicContact CG-CD2 4.19Å; F429-L544 HydrophobicContact CD1-CD1 4.46Å; F429-L544 HydrophobicContact CE1-CD1 4.16Å; L432-L544 HydrophobicContact CD1-CD2 3.96Å; N542-L544 PolarHBondContact O-N 2.89Å; N542-L544 PolarHBondContact OD1-N 2.95Å; L544-V570 HydrophobicContact CD1-CG1 3.25Å; L544-V570 HydrophobicContact CD2-CG1 4.46Å; L544-V570 HydrophobicContact CG-CG1 3.5Å; L544-V570 HydrophobicContact CG-CG2 4.48Å; L544-I579 HydrophobicContact CB-CD1 3.78Å; L544-I579 HydrophobicContact CD1-CD1 4.21Å
545	L	77	Confident	71.5	Confident	67 Å²	67	57.1 Å²	57.1	35%	0.351	31%	0.308	S	S	.	.	S	Bend	trans	-78.5	145	176.8	-66.9	175.4	0	0	0	110.2	N542 L543 T547 I579	N542-L545 HydrophobicContact CB-CD1 4.26Å; N542-L545 HydrophobicContact CB-CG 4.44Å; N542-L545 PolarHBondContact O-N 3.45Å; L543-L545 VanDerWaalsContact C-N 3.33Å; L545-T547 PolarHBondContact O-N 3.39Å; L545-I579 HydrophobicContact CD2-CD1 4.15Å; L545-I579 HydrophobicContact CD2-CG1 4.2Å; L545-I579 HydrophobicContact CG-CD1 4.14Å
546	P	69.8	Low	70.8	Confident	95 Å²	95	57 Å²	57	62%	0.617	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-66.4	119.2	174.1	27.6	-32.9	0	0	0	110.2	N456	N456-P546 WeakPolarHBondContact ND2-CA 3.32Å
547	T	65	Low	69.7	Low	30 Å²	30	65.4 Å²	65.4	18%	0.184	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-102.6	131.2	171.9	56.6	0	0	0	0	111.4	N456 L545 K549 I551	N456-T547 WeakPolarHBondContact CB-O 3.41Å; N456-T547 PolarHBondContact ND2-N 2.79Å; N456-T547 PolarHBondContact ND2-O 3.2Å; N456-T547 PolarHBondContact ND2-OG1 3.29Å; N456-T547 VanDerWaalsContact ND2-OG1 3.09Å; L545-T547 PolarHBondContact O-N 3.39Å; T547-K549 VanDerWaalsContact C-N 3.33Å; T547-I551 HydrophobicContact CG2-CD1 3.57Å
548	D	60.6	Low	68.4	Low	165 Å²	165	69 Å²	69	88%	0.882	37%	0.365	S	S	*	.	S	Bend	trans	-75.7	-21.3	177.1	-63	-32.3	0	0	0	113.4
549	K	61.3	Low	67.3	Low	165 Å²	165	65.1 Å²	65.1	72%	0.717	35%	0.354	S	S	*	.	S	Bend	trans	-107.6	142	-177.4	-64.7	-177	179.6	-177.2	0	110.6	T547 I551	T547-K549 VanDerWaalsContact C-N 3.33Å; K549-I551 PolarHBondContact O-N 3.06Å; K549-I551 VanDerWaalsContact O-N 3.17Å
550	P	61.6	Low	66.5	Low	76 Å²	76	66 Å²	66	49%	0.494	37%	0.366	S	S	.	.			trans	-63.9	116.9	172.3	26.8	-32.5	0	0	0	109.9	V454	V454-P550 VanDerWaalsContact O-CA 3.31Å; V454-P550 WeakPolarHBondContact O-CA 3.36Å
551	I	65.5	Low	66.5	Low	44 Å²	44	60.9 Å²	60.9	23%	0.226	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	130.5	173	-63	173.1	0	0	0	107.6	V454 L543 T547 K549 I553	V454-I551 PolarHBondContact N-O 3.41Å; V454-I551 PolarHBondContact O-N 2.95Å; L543-I551 HydrophobicContact CD2-CD1 4.4Å; L543-I551 HydrophobicContact CD2-CG2 4.43Å; T547-I551 HydrophobicContact CG2-CD1 3.57Å; K549-I551 PolarHBondContact O-N 3.06Å; K549-I551 VanDerWaalsContact O-N 3.17Å; I551-I553 HydrophobicContact CG2-CD1 4.12Å; I551-I553 HydrophobicContact CG2-CG1 3.8Å
552	V	62	Low	66.5	Low	49 Å²	49	64.7 Å²	64.7	30%	0.297	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	112.8	174.2	-178.7	0	0	0	0	107.4	I451 F453	I451-V552 HydrophobicContact CG2-CG1 3.55Å; F453-V552 HydrophobicContact CD1-CG2 3.87Å; F453-V552 HydrophobicContact CE1-CG2 3.66Å
553	I	65.5	Low	66.7	Low	5 Å²	5	65.2 Å²	65.2	3%	0.026	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	123.9	172.9	-59.7	172.4	0	0	0	108.4	I451 I452 F528 W530 I541 L543 I551 L569	I451-I553 WeakPolarHBondContact CA-O 3.47Å; I452-I553 PolarHBondContact N-O 3.41Å; I452-I553 VanDerWaalsContact N-O 3.13Å; I452-I553 PolarHBondContact O-N 3.19Å; F528-I553 HydrophobicContact CD2-CG2 4.38Å; F528-I553 HydrophobicContact CE2-CD1 4.24Å; F528-I553 HydrophobicContact CE2-CG2 4.43Å; W530-I553 HydrophobicContact CH2-CG2 4.08Å; W530-I553 HydrophobicContact CZ2-CG2 3.91Å; I541-I553 HydrophobicContact CG2-CD1 4.5Å; L543-I553 HydrophobicContact CD1-CD1 4.1Å; L543-I553 HydrophobicContact CD2-CD1 4.02Å; L543-I553 HydrophobicContact CG-CD1 4.41Å; I551-I553 HydrophobicContact CG2-CD1 4.12Å; I551-I553 HydrophobicContact CG2-CG1 3.8Å; I553-L569 HydrophobicContact CD1-CD2 3.59Å; I553-L569 HydrophobicContact CG2-CD2 4.18Å
554	C	59.7	Low	66.8	Low	66 Å²	66	66.3 Å²	66.3	45%	0.446	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	121.9	171.6	-65.4	0	0	0	0	109.8	W530	W530-C554 WeakPolarHBondContact CZ2-O 3.11Å
555	G	65.6	Low	66.9	Low	8 Å²	8	66 Å²	66	8%	0.082	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-62.5	173.8	170.4	0	0	0	0	0	114.1	E450	E450-G555 PolarHBondContact O-N 3.01Å; E450-G555 VanDerWaalsContact O-N 3.11Å
556	P	64.6	Low	67.2	Low	25 Å²	25	63.1 Å²	63.1	16%	0.162	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-61	144.3	176.7	24.9	-31.3	0	0	0	111.4	W530 D558 L561	W530-P556 HydrophobicContact CG-CB 4.31Å; P556-D558 PolarHBondContact O-N 3.27Å; P556-L561 HydrophobicContact CG-CD2 4.48Å
557	K	55.3	Low	67.9	Low	176 Å²	176	58.6 Å²	58.6	77%	0.765	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	133.2	175.8	-62.3	-177	-179.9	-178	0	109	Q559	K557-Q559 VanDerWaalsContact C-N 3.31Å; K557-Q559 PolarHBondContact O-N 3.27Å
558	D	54.3	Low	68.8	Low	103 Å²	103	57.4 Å²	57.4	55%	0.551	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	2.4	171.9	-41.8	-38.7	0	0	0	117.6	P556	P556-D558 PolarHBondContact O-N 3.27Å
559	Q	58.8	Low	69.7	Low	97 Å²	97	49.6 Å²	49.6	45%	0.453	26%	0.259	S	S	.	.	S	Bend	trans	-138.3	137	177.4	-62.2	-176	19	0	0	111.4	K557 Y562	K557-Q559 VanDerWaalsContact C-N 3.31Å; K557-Q559 PolarHBondContact O-N 3.27Å; Q559-Y562 PolarHBondContact OE1-OH 3.39Å
560	G	64.6	Low	70.8	Confident	32 Å²	32	41.8 Å²	41.8	33%	0.33	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-66.1	153.5	168.8	0	0	0	0	0	111.6	Y562	G560-Y562 PolarHBondContact O-N 3.23Å
561	L	71.4	Confident	71.6	Confident	5 Å²	5	38.2 Å²	38.2	3%	0.026	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-60.9	129.5	179.8	-68.4	168.3	0	0	0	111.3	E450 I452 W530 P556 Q565 R566 L569	E450-L561 HydrophobicContact CB-CD1 4.26Å; E450-L561 WeakPolarHBondContact OE2-CB 3.36Å; E450-L561 VanDerWaalsContact OE2-CD1 3.23Å; E450-L561 WeakPolarHBondContact OE2-CD1 3.44Å; E450-L561 WeakPolarHBondContact OE2-CG 3.44Å; E450-L561 PolarHBondContact OE2-N 2.78Å; I452-L561 HydrophobicContact CD1-CD1 4.05Å; W530-L561 HydrophobicContact CE3-CD2 3.98Å; W530-L561 HydrophobicContact CH2-CD2 3.65Å; W530-L561 HydrophobicContact CZ2-CD2 4.22Å; W530-L561 HydrophobicContact CZ3-CD2 3.52Å; P556-L561 HydrophobicContact CG-CD2 4.48Å; L561-Q565 HydrophobicContact CB-CB 4.43Å; L561-Q565 HydrophobicContact CD2-CB 3.99Å; L561-R566 HydrophobicContact CB-CG 3.95Å; L561-R566 HydrophobicContact CD1-CG 4.42Å; L561-R566 PolarHBondContact O-NE 3.16Å; L561-R566 PolarHBondContact O-NH2 3.46Å; L561-L569 HydrophobicContact CD1-CD1 3.78Å
562	Y	76.2	Confident	72.5	Confident	113 Å²	113	36.1 Å²	36.1	44%	0.443	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-66.2	154.4	169.9	-69.1	-72.6	0	0	0	111	Q559 G560 W564 Q565 R566	Q559-Y562 PolarHBondContact OE1-OH 3.39Å; G560-Y562 PolarHBondContact O-N 3.23Å; Y562-W564 VanDerWaalsContact CB-CD1 3.48Å; Y562-W564 VanDerWaalsContact CB-NE1 3.34Å; Y562-W564 AromaticContact CD2-NE1 3.96Å; Y562-W564 AromaticContact CG-NE1 3.75Å; Y562-W564 PolarHBondContact O-N 3.44Å; Y562-W564 VanDerWaalsContact O-N 3.13Å; Y562-Q565 WeakPolarHBondContact O-CB 3.49Å; Y562-Q565 PolarHBondContact O-N 3.31Å; Y562-R566 PolarHBondContact O-N 3.06Å; Y562-R566 VanDerWaalsContact O-N 3.14Å
563	P	81.6	Confident	73.5	Confident	37 Å²	37	33.9 Å²	33.9	24%	0.24	18%	0.178	C	C	.	.	H	α-helix	trans	-52.3	-37.8	178.5	-29.2	36.4	0	0	0	114.2	R566 L567 L599	P563-R566 PolarHBondContact O-N 3Å; P563-L567 PolarHBondContact O-N 3.42Å; P563-L599 HydrophobicContact CB-CD2 3.9Å
564	W	81.8	Confident	74.5	Confident	23 Å²	23	36.7 Å²	36.7	9%	0.087	19%	0.189	C	C	.	.	H	α-helix	trans	-72.8	-29.7	178.6	68.5	-95.5	0	0	0	113.5	W530 A536 Y562 R566 L567 A568 L599 P601	W530-W564 WeakPolarHBondContact O-CH2 3.32Å; A536-W564 HydrophobicContact CB-CB 4.32Å; A536-W564 HydrophobicContact CB-CE3 4.23Å; Y562-W564 VanDerWaalsContact CB-CD1 3.48Å; Y562-W564 VanDerWaalsContact CB-NE1 3.34Å; Y562-W564 AromaticContact CD2-NE1 3.96Å; Y562-W564 AromaticContact CG-NE1 3.75Å; Y562-W564 PolarHBondContact O-N 3.44Å; Y562-W564 VanDerWaalsContact O-N 3.13Å; W564-R566 VanDerWaalsContact C-N 3.32Å; W564-L567 WeakPolarHBondContact O-CB 3.36Å; W564-L567 PolarHBondContact O-N 3.48Å; W564-A568 PolarHBondContact O-N 3.02Å; W564-L599 WeakPolarHBondContact CA-O 3.41Å; W564-L599 WeakPolarHBondContact CB-O 3.31Å; W564-L599 PolarHBondContact N-O 3.49Å; W564-L599 VanDerWaalsContact N-O 3.13Å; W564-P601 HydrophobicContact CB-CB 4.46Å; W564-P601 HydrophobicContact CB-CG 3.77Å; W564-P601 HydrophobicContact CD2-CG 4.17Å; W564-P601 HydrophobicContact CE3-CG 4.49Å; W564-P601 HydrophobicContact CG-CB 4.25Å; W564-P601 HydrophobicContact CG-CG 3.88Å
565	Q	82.5	Confident	75.6	Confident	6 Å²	6	34.1 Å²	34.1	3%	0.028	17%	0.173	C	C	.	.	H	α-helix	trans	-69.9	-35.3	173.9	-67.9	172.4	-28.4	0	0	110.2	W530 L561 Y562 A568 L569	W530-Q565 HydrophobicContact CE3-CB 4.03Å; W530-Q565 HydrophobicContact CE3-CG 3.97Å; W530-Q565 HydrophobicContact CZ3-CB 3.96Å; W530-Q565 HydrophobicContact CZ3-CG 4.42Å; W530-Q565 PolarHBondContact O-NE2 3.17Å; L561-Q565 HydrophobicContact CB-CB 4.43Å; L561-Q565 HydrophobicContact CD2-CB 3.99Å; Y562-Q565 WeakPolarHBondContact O-CB 3.49Å; Y562-Q565 PolarHBondContact O-N 3.31Å; Q565-A568 WeakPolarHBondContact O-CB 3.29Å; Q565-A568 PolarHBondContact O-N 3.34Å; Q565-L569 WeakPolarHBondContact O-CG 3.4Å; Q565-L569 PolarHBondContact O-N 2.85Å; Q565-L569 VanDerWaalsContact O-N 3.11Å
566	R	83.9	Confident	76.6	Confident	5 Å²	5	33.9 Å²	33.9	2%	0.019	17%	0.17	C	C	.	.	H	α-helix	trans	-67.2	-38.2	171.8	-58.2	176.8	-153.7	160.8	-1.1	111.9	F406 M436 L438 N440 L561 Y562 P563 W564 A568 L569 V570	F406-R566 HydrophobicContact CD1-CB 4.47Å; F406-R566 HydrophobicContact CD1-CG 4.18Å; F406-R566 HydrophobicContact CD2-CB 4.44Å; F406-R566 HydrophobicContact CE1-CB 4.33Å; F406-R566 HydrophobicContact CE1-CG 4.41Å; F406-R566 HydrophobicContact CE2-CB 4.32Å; F406-R566 HydrophobicContact CG-CG 4.32Å; F406-R566 HydrophobicContact CZ-CB 4.25Å; M436-R566 HydrophobicContact CE-CB 4.11Å; M436-R566 WeakPolarHBondContact CE-O 3.14Å; M436-R566 PolarHBondContact O-NH1 2.68Å; L438-R566 PolarHBondContact O-NH1 3.2Å; N440-R566 PolarHBondContact ND2-NH2 3.48Å; N440-R566 VanDerWaalsContact OD1-CZ 3.26Å; N440-R566 PolarHBondContact OD1-NH2 3.24Å; L561-R566 HydrophobicContact CB-CG 3.95Å; L561-R566 HydrophobicContact CD1-CG 4.42Å; L561-R566 PolarHBondContact O-NE 3.16Å; L561-R566 PolarHBondContact O-NH2 3.46Å; Y562-R566 PolarHBondContact O-N 3.06Å; Y562-R566 VanDerWaalsContact O-N 3.14Å; P563-R566 PolarHBondContact O-N 3Å; W564-R566 VanDerWaalsContact C-N 3.32Å; R566-A568 VanDerWaalsContact C-N 3.28Å; R566-A568 PolarHBondContact O-N 3.26Å; R566-L569 WeakPolarHBondContact O-CB 3.25Å; R566-L569 PolarHBondContact O-N 3.13Å; R566-V570 PolarHBondContact O-N 3.21Å
567	L	84.9	Confident	77.5	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-58.4	-42.7	171	-177.3	64	0	0	0	111.2	M436 P563 W564 L569 V570 G572 L576 L599	M436-L567 VanDerWaalsContact CE-CA 3.47Å; M436-L567 HydrophobicContact CE-CB 4.33Å; M436-L567 HydrophobicContact CE-CD1 4.47Å; P563-L567 PolarHBondContact O-N 3.42Å; W564-L567 WeakPolarHBondContact O-CB 3.36Å; W564-L567 PolarHBondContact O-N 3.48Å; L567-L569 PolarHBondContact O-N 2.93Å; L567-V570 PolarHBondContact O-N 3.26Å; L567-G572 VanDerWaalsContact O-CA 3.31Å; L567-G572 WeakPolarHBondContact O-CA 3.17Å; L567-G572 PolarHBondContact O-N 2.95Å; L567-L576 HydrophobicContact CD1-CD1 4.09Å; L567-L599 HydrophobicContact CB-CB 4.34Å; L567-L599 HydrophobicContact CD1-CD1 4.18Å; L567-L599 HydrophobicContact CD2-CB 4.25Å
568	A	82.2	Confident	78.9	Confident	5 Å²	5	27.3 Å²	27.3	4%	0.041	14%	0.142	C	C	.	.	H	α-helix	trans	-63	-26.1	174.3	0	0	0	0	0	113.3	L535 S539 W564 Q565 R566 V570	L535-A568 HydrophobicContact CB-CB 3.85Å; L535-A568 WeakPolarHBondContact O-CB 3.29Å; S539-A568 WeakPolarHBondContact CB-O 2.95Å; S539-A568 PolarHBondContact OG-O 3.31Å; W564-A568 PolarHBondContact O-N 3.02Å; Q565-A568 WeakPolarHBondContact O-CB 3.29Å; Q565-A568 PolarHBondContact O-N 3.34Å; R566-A568 VanDerWaalsContact C-N 3.28Å; R566-A568 PolarHBondContact O-N 3.26Å; A568-V570 PolarHBondContact O-N 2.82Å
569	L	81.2	Confident	80.2	Confident	1 Å²	1	22.9 Å²	22.9	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-75	-15.5	174.8	-68.1	173.3	0	0	0	113.4	F406 I452 W530 L543 I553 L561 Q565 R566 L567	F406-L569 HydrophobicContact CE1-CB 4.37Å; F406-L569 HydrophobicContact CE1-CD1 3.88Å; F406-L569 HydrophobicContact CZ-CB 4.27Å; I452-L569 HydrophobicContact CD1-CD1 3.4Å; W530-L569 HydrophobicContact CH2-CD1 4.42Å; W530-L569 HydrophobicContact CH2-CD2 3.98Å; W530-L569 HydrophobicContact CH2-CG 4.4Å; L543-L569 HydrophobicContact CD1-CB 3.94Å; L543-L569 HydrophobicContact CG-CB 4.49Å; L543-L569 VanDerWaalsContact CG-O 3.32Å; L543-L569 WeakPolarHBondContact CG-O 3.41Å; L543-L569 PolarHBondContact N-O 2.97Å; I553-L569 HydrophobicContact CD1-CD2 3.59Å; I553-L569 HydrophobicContact CG2-CD2 4.18Å; L561-L569 HydrophobicContact CD1-CD1 3.78Å; Q565-L569 WeakPolarHBondContact O-CG 3.4Å; Q565-L569 PolarHBondContact O-N 2.85Å; Q565-L569 VanDerWaalsContact O-N 3.11Å; R566-L569 WeakPolarHBondContact O-CB 3.25Å; R566-L569 PolarHBondContact O-N 3.13Å; L567-L569 PolarHBondContact O-N 2.93Å
570	V	82.6	Confident	81.4	Confident	1 Å²	1	18.2 Å²	18.2	1%	0.006	10%	0.096	C	C	.	.	B	Isolated β-bridge	trans	-105.5	26.4	-176.5	178.7	0	0	0	0	111.5	F406 M436 N542 L544 R566 L567 A568 L576	F406-V570 HydrophobicContact CE2-CG2 4.03Å; F406-V570 HydrophobicContact CZ-CG2 3.91Å; M436-V570 HydrophobicContact CE-CB 4.05Å; M436-V570 HydrophobicContact CE-CG2 3.61Å; M436-V570 HydrophobicContact SD-CG2 4.23Å; N542-V570 PolarHBondContact ND2-O 2.87Å; N542-V570 PolarHBondContact OD1-O 3.21Å; L544-V570 HydrophobicContact CD1-CG1 3.25Å; L544-V570 HydrophobicContact CD2-CG1 4.46Å; L544-V570 HydrophobicContact CG-CG1 3.5Å; L544-V570 HydrophobicContact CG-CG2 4.48Å; R566-V570 PolarHBondContact O-N 3.21Å; L567-V570 PolarHBondContact O-N 3.26Å; A568-V570 PolarHBondContact O-N 2.82Å; V570-L576 HydrophobicContact CG1-CB 4.43Å; V570-L576 HydrophobicContact CG1-CD1 3.95Å; V570-L576 HydrophobicContact CG1-CG 3.99Å
571	G	78.5	Confident	82.2	Confident	2 Å²	2	19 Å²	19	2%	0.021	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	89	-1.3	-177.3	0	0	0	0	0	114.6	S539 I541 G575	S539-G571 PolarHBondContact N-O 2.74Å; S539-G571 VanDerWaalsContact N-O 3.09Å; S539-G571 WeakPolarHBondContact OG-CA 3.28Å; S539-G571 PolarHBondContact OG-N 3.43Å; S539-G571 PolarHBondContact OG-O 3.35Å; I541-G571 VanDerWaalsContact O-CA 3.24Å; I541-G571 WeakPolarHBondContact O-CA 3.29Å; I541-G571 PolarHBondContact O-N 2.7Å; G571-G575 VanDerWaalsContact O-CA 3.27Å; G571-G575 WeakPolarHBondContact O-CA 3.2Å; G571-G575 PolarHBondContact O-N 2.91Å; G571-G575 VanDerWaalsContact O-N 3.09Å
572	G	84.7	Confident	82.7	Confident	0 Å²	0	24 Å²	24	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	71.8	-173.1	-168.7	0	0	0	0	0	111.9	A536 S539 L567 Y574 G575 L576	A536-G572 WeakPolarHBondContact O-CA 3.27Å; S539-G572 PolarHBondContact OG-N 3.1Å; L567-G572 VanDerWaalsContact O-CA 3.31Å; L567-G572 WeakPolarHBondContact O-CA 3.17Å; L567-G572 PolarHBondContact O-N 2.95Å; G572-Y574 PolarHBondContact O-N 3.44Å; G572-G575 PolarHBondContact O-N 3.41Å; G572-L576 VanDerWaalsContact O-CB 3.28Å; G572-L576 WeakPolarHBondContact O-CB 3.45Å; G572-L576 PolarHBondContact O-N 3.48Å
573	L	84.5	Confident	82.6	Confident	1 Å²	1	23.6 Å²	23.6	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-56.7	-50.3	178.2	-177.5	58.6	0	0	0	111.9	A536 L537 L577 I596 L625	A536-L573 PolarHBondContact O-N 3.06Å; L537-L573 PolarHBondContact O-N 2.79Å; L573-L577 HydrophobicContact CD1-CD1 4.3Å; L573-L577 HydrophobicContact CG-CD1 4.22Å; L573-L577 WeakPolarHBondContact O-CG 3.14Å; L573-L577 PolarHBondContact O-N 2.86Å; L573-I596 HydrophobicContact CD1-CD1 3.59Å; L573-I596 HydrophobicContact CD1-CG1 4.49Å; L573-I596 HydrophobicContact CD1-CG2 3.96Å; L573-L625 HydrophobicContact CD1-CD1 4.29Å; L573-L625 HydrophobicContact CD2-CD1 3.44Å; L573-L625 VanDerWaalsContact CD2-CD1 3.44Å; L573-L625 HydrophobicContact CG-CD1 3.83Å
574	Y	85.6	Confident	82.6	Confident	65 Å²	65	23.8 Å²	23.8	26%	0.255	12%	0.116	S	C	.	.	H	α-helix	trans	-69.9	-41.6	-179	-75.1	-76.7	0	0	0	112.4	L537 G572 L576 L577 D578 E621 L625	L537-Y574 HydrophobicContact CB-CD2 4.42Å; L537-Y574 HydrophobicContact CD2-CE2 4.29Å; L537-Y574 WeakPolarHBondContact O-CD2 3.28Å; L537-Y574 PolarHBondContact O-N 2.83Å; G572-Y574 PolarHBondContact O-N 3.44Å; Y574-L576 VanDerWaalsContact C-N 3.3Å; Y574-L576 PolarHBondContact O-N 3.48Å; Y574-L577 PolarHBondContact O-N 3.04Å; Y574-D578 WeakPolarHBondContact O-CB 3.23Å; Y574-D578 PolarHBondContact O-N 3.1Å; Y574-E621 PolarHBondContact OH-OE2 3.46Å; Y574-L625 HydrophobicContact CE1-CD2 3.99Å
575	G	83.3	Confident	82.5	Confident	11 Å²	11	31 Å²	31	11%	0.113	15%	0.148	C	C	.	.	H	α-helix	trans	-66.3	-32.5	178.7	0	0	0	0	0	113.1	N542 G571 G572 I579	N542-G575 PolarHBondContact ND2-O 2.98Å; G571-G575 VanDerWaalsContact O-CA 3.27Å; G571-G575 WeakPolarHBondContact O-CA 3.2Å; G571-G575 PolarHBondContact O-N 2.91Å; G571-G575 VanDerWaalsContact O-N 3.09Å; G572-G575 PolarHBondContact O-N 3.41Å; G575-I579 PolarHBondContact O-N 2.94Å
576	L	85.4	Confident	82.5	Confident	4 Å²	4	32.7 Å²	32.7	2%	0.021	16%	0.157	C	C	.	.	H	α-helix	trans	-70	-44.5	173.1	-159.7	172.4	0	0	0	110.6	F429 T433 L567 V570 G572 Y574 D578 I579 I580 F592	F429-L576 HydrophobicContact CD1-CD2 4.33Å; T433-L576 HydrophobicContact CG2-CD1 3.93Å; L567-L576 HydrophobicContact CD1-CD1 4.09Å; V570-L576 HydrophobicContact CG1-CB 4.43Å; V570-L576 HydrophobicContact CG1-CD1 3.95Å; V570-L576 HydrophobicContact CG1-CG 3.99Å; G572-L576 VanDerWaalsContact O-CB 3.28Å; G572-L576 WeakPolarHBondContact O-CB 3.45Å; G572-L576 PolarHBondContact O-N 3.48Å; Y574-L576 VanDerWaalsContact C-N 3.3Å; Y574-L576 PolarHBondContact O-N 3.48Å; L576-D578 VanDerWaalsContact C-N 3.33Å; L576-D578 PolarHBondContact O-N 3.33Å; L576-I579 PolarHBondContact O-N 3.35Å; L576-I580 HydrophobicContact CD2-CD1 3.28Å; L576-I580 HydrophobicContact CD2-CG1 3.95Å; L576-I580 WeakPolarHBondContact O-CG1 3.26Å; L576-I580 PolarHBondContact O-N 3Å; L576-I580 VanDerWaalsContact O-N 3.16Å; L576-F592 HydrophobicContact CD1-CZ 4.35Å; L576-F592 HydrophobicContact CD2-CE2 3.82Å; L576-F592 HydrophobicContact CD2-CZ 3.48Å; L576-F592 VanDerWaalsContact CD2-CZ 3.48Å; L576-F592 HydrophobicContact CG-CZ 4.49Å
577	L	84.3	Confident	82.3	Confident	3 Å²	3	41.2 Å²	41.2	2%	0.016	19%	0.194	C	C	.	.	H	α-helix	trans	-61.2	-40.9	174.6	-69	171.6	0	0	0	112.2	L573 Y574 I579 I580 E581 L588 F592 F593 L625 F629	L573-L577 HydrophobicContact CD1-CD1 4.3Å; L573-L577 HydrophobicContact CG-CD1 4.22Å; L573-L577 WeakPolarHBondContact O-CG 3.14Å; L573-L577 PolarHBondContact O-N 2.86Å; Y574-L577 PolarHBondContact O-N 3.04Å; L577-I579 VanDerWaalsContact C-N 3.33Å; L577-I579 PolarHBondContact O-N 2.97Å; L577-I580 PolarHBondContact O-N 2.91Å; L577-I580 VanDerWaalsContact O-N 3.1Å; L577-E581 WeakPolarHBondContact O-CB 3.38Å; L577-E581 PolarHBondContact O-N 3.45Å; L577-L588 HydrophobicContact CD2-CD1 3.16Å; L577-F592 HydrophobicContact CD2-CE1 3.93Å; L577-F593 HydrophobicContact CD2-CZ 4.43Å; L577-L625 HydrophobicContact CD1-CD1 3.77Å; L577-L625 HydrophobicContact CD1-CD2 3.79Å; L577-L625 HydrophobicContact CD1-CG 4.38Å; L577-F629 HydrophobicContact CD2-CE2 4.16Å; L577-F629 HydrophobicContact CD2-CZ 4.26Å
578	D	84	Confident	81.9	Confident	59 Å²	59	41.8 Å²	41.8	32%	0.316	20%	0.197	S	C	.	.	H	α-helix	trans	-63	-38.6	178.3	-72.8	-22.7	0	0	0	111.4	Y574 L576 N582	Y574-D578 WeakPolarHBondContact O-CB 3.23Å; Y574-D578 PolarHBondContact O-N 3.1Å; L576-D578 VanDerWaalsContact C-N 3.33Å; L576-D578 PolarHBondContact O-N 3.33Å; D578-N582 WeakPolarHBondContact O-CA 3.31Å; D578-N582 WeakPolarHBondContact O-CB 3.44Å; D578-N582 PolarHBondContact O-N 3.31Å; D578-N582 PolarHBondContact O-ND2 2.93Å
579	I	82.6	Confident	81.9	Confident	10 Å²	10	45.4 Å²	45.4	5%	0.051	22%	0.216	C	C	.	.	I	π-helix	trans	-60.3	-48.6	171.2	-73.3	177.7	0	0	0	110.2	F429 N542 L544 L545 G575 L576 L577 H583 Y584	F429-I579 HydrophobicContact CE1-CG2 4.17Å; F429-I579 HydrophobicContact CZ-CG2 4.15Å; N542-I579 WeakPolarHBondContact ND2-CD1 3.21Å; N542-I579 VanDerWaalsContact OD1-CD1 3.29Å; N542-I579 WeakPolarHBondContact OD1-CD1 3.36Å; L544-I579 HydrophobicContact CB-CD1 3.78Å; L544-I579 HydrophobicContact CD1-CD1 4.21Å; L545-I579 HydrophobicContact CD2-CD1 4.15Å; L545-I579 HydrophobicContact CD2-CG1 4.2Å; L545-I579 HydrophobicContact CG-CD1 4.14Å; G575-I579 PolarHBondContact O-N 2.94Å; L576-I579 PolarHBondContact O-N 3.35Å; L577-I579 VanDerWaalsContact C-N 3.33Å; L577-I579 PolarHBondContact O-N 2.97Å; I579-H583 HydrophobicContact CG2-CB 4.29Å; I579-H583 WeakPolarHBondContact O-CA 3.48Å; I579-H583 WeakPolarHBondContact O-CB 3.32Å; I579-H583 PolarHBondContact O-N 3.25Å; I579-Y584 HydrophobicContact CG2-CD2 3.68Å; I579-Y584 HydrophobicContact CG2-CE2 3.63Å; I579-Y584 PolarHBondContact O-N 3.21Å; I579-Y584 VanDerWaalsContact O-N 3.12Å
580	I	83.5	Confident	82	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.222	C	C	.	.	I	π-helix	trans	-68.5	-45.3	-172.7	-63.6	176.3	0	0	0	111	F429 L576 L577 K585 L586 L588 F592	F429-I580 HydrophobicContact CB-CD1 3.79Å; F429-I580 HydrophobicContact CD1-CD1 3.89Å; F429-I580 HydrophobicContact CD1-CG1 3.94Å; F429-I580 HydrophobicContact CD2-CD1 3.99Å; F429-I580 HydrophobicContact CD2-CG1 3.92Å; F429-I580 HydrophobicContact CE1-CD1 4.47Å; F429-I580 HydrophobicContact CE1-CG1 4.02Å; F429-I580 HydrophobicContact CE2-CG1 4Å; F429-I580 HydrophobicContact CG-CD1 3.62Å; F429-I580 HydrophobicContact CG-CG1 3.9Å; F429-I580 HydrophobicContact CZ-CG1 4.05Å; L576-I580 HydrophobicContact CD2-CD1 3.28Å; L576-I580 HydrophobicContact CD2-CG1 3.95Å; L576-I580 WeakPolarHBondContact O-CG1 3.26Å; L576-I580 PolarHBondContact O-N 3Å; L576-I580 VanDerWaalsContact O-N 3.16Å; L577-I580 PolarHBondContact O-N 2.91Å; L577-I580 VanDerWaalsContact O-N 3.1Å; I580-K585 PolarHBondContact O-N 2.66Å; I580-L586 HydrophobicContact CG2-CB 3.84Å; I580-L586 PolarHBondContact O-N 3.44Å; I580-L588 HydrophobicContact CB-CD2 4.38Å; I580-L588 HydrophobicContact CD1-CD2 3.61Å; I580-L588 HydrophobicContact CG2-CD2 3.71Å; I580-L588 HydrophobicContact CG2-CG 4.07Å; I580-F592 HydrophobicContact CD1-CE2 4.01Å; I580-F592 HydrophobicContact CD1-CZ 3.91Å
581	E	81.6	Confident	82.1	Confident	48 Å²	48	49.2 Å²	49.2	22%	0.224	24%	0.241	C	C	.	.	I	π-helix	trans	-72.9	-48.3	179.3	-72.4	-172.2	144.4	0	0	112.2	L577 K585 R628 F629	L577-E581 WeakPolarHBondContact O-CB 3.38Å; L577-E581 PolarHBondContact O-N 3.45Å; E581-K585 VanDerWaalsContact O-CA 3.24Å; E581-K585 WeakPolarHBondContact O-CA 3.38Å; E581-K585 PolarHBondContact O-N 2.94Å; E581-R628 IonicContact OE1-CZ 3.42Å; E581-R628 IonicContact OE1-NH2 2.91Å; E581-R628 PolarHBondContact OE1-NH2 3.18Å; E581-R628 VanDerWaalsContact OE1-NH2 3.14Å; E581-R628 IonicContact OE2-CZ 2.91Å; E581-R628 IonicContact OE2-NH2 2.88Å; E581-R628 PolarHBondContact OE2-NH2 3.19Å; E581-F629 HydrophobicContact CG-CE1 4.15Å; E581-F629 HydrophobicContact CG-CZ 4.18Å; E581-F629 WeakPolarHBondContact OE1-CE1 3.36Å; E581-F629 WeakPolarHBondContact OE1-CZ 3.48Å
582	N	81.7	Confident	82.5	Confident	111 Å²	111	49.2 Å²	49.2	59%	0.594	24%	0.24	S	C	*	.	I	π-helix	trans	-92.3	-41.3	-169.2	-57.2	-49.2	0	0	0	112.9	D578	D578-N582 WeakPolarHBondContact O-CA 3.31Å; D578-N582 WeakPolarHBondContact O-CB 3.44Å; D578-N582 PolarHBondContact O-N 3.31Å; D578-N582 PolarHBondContact O-ND2 2.93Å
583	H	75.2	Confident	82.7	Confident	103 Å²	103	49.2 Å²	49.2	48%	0.477	24%	0.24	S	C	.	.	I	π-helix	trans	-82.4	-45.6	-175.5	-165	-83.7	0	0	0	111.9	I579	I579-H583 HydrophobicContact CG2-CB 4.29Å; I579-H583 WeakPolarHBondContact O-CA 3.48Å; I579-H583 WeakPolarHBondContact O-CB 3.32Å; I579-H583 PolarHBondContact O-N 3.25Å
584	Y	80.3	Confident	82.8	Confident	42 Å²	42	50.3 Å²	50.3	17%	0.165	25%	0.247	C	C	.	.	S	Bend	trans	-105.9	-11.5	-178.3	-63.2	-76.5	0	0	0	114.8	N422 I424 F429 I579 L586	N422-Y584 HydrophobicContact CB-CE1 4.24Å; I424-Y584 HydrophobicContact CB-CD1 4.34Å; I424-Y584 HydrophobicContact CB-CE1 4.41Å; I424-Y584 HydrophobicContact CD1-CD1 4.07Å; I424-Y584 HydrophobicContact CD1-CE1 3.33Å; I424-Y584 HydrophobicContact CD1-CE2 4.09Å; I424-Y584 WeakPolarHBondContact CD1-OH 3.49Å; I424-Y584 HydrophobicContact CG1-CD1 4.42Å; I424-Y584 HydrophobicContact CG1-CE1 4.01Å; F429-Y584 HydrophobicContact CE2-CD2 4.22Å; F429-Y584 AromaticContact CZ-CD2 3.72Å; F429-Y584 HydrophobicContact CZ-CD2 3.72Å; F429-Y584 AromaticContact CZ-CE2 3.83Å; F429-Y584 HydrophobicContact CZ-CE2 3.83Å; I579-Y584 HydrophobicContact CG2-CD2 3.68Å; I579-Y584 HydrophobicContact CG2-CE2 3.63Å; I579-Y584 PolarHBondContact O-N 3.21Å; I579-Y584 VanDerWaalsContact O-N 3.12Å; Y584-L586 VanDerWaalsContact C-N 3.3Å; Y584-L586 PolarHBondContact O-N 2.79Å
585	K	81.1	Confident	82.7	Confident	175 Å²	175	48 Å²	48	76%	0.761	24%	0.24	S	C	*	.			trans	55	39.2	179.8	-58.3	-179.5	-179.1	177	0	114	I580 E581	I580-K585 PolarHBondContact O-N 2.66Å; E581-K585 VanDerWaalsContact O-CA 3.24Å; E581-K585 WeakPolarHBondContact O-CA 3.38Å; E581-K585 PolarHBondContact O-N 2.94Å
586	L	81.8	Confident	83	Confident	40 Å²	40	47.4 Å²	47.4	21%	0.209	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-94.6	149.6	-177.2	-57	173.5	0	0	0	111.9	I424 F429 I580 Y584	I424-L586 WeakPolarHBondContact O-CD1 3.32Å; F429-L586 HydrophobicContact CD2-CD1 4.34Å; F429-L586 HydrophobicContact CE2-CD1 3.93Å; I580-L586 HydrophobicContact CG2-CB 3.84Å; I580-L586 PolarHBondContact O-N 3.44Å; Y584-L586 VanDerWaalsContact C-N 3.3Å; Y584-L586 PolarHBondContact O-N 2.79Å
587	K	78.9	Confident	83	Confident	184 Å²	184	47.4 Å²	47.4	80%	0.8	23%	0.234	S	C	*	.	P	Polyproline II helix	trans	-84.4	133.9	169.4	-67.7	-177.6	179.9	178.3	0	109.9	P426	P426-K587 WeakPolarHBondContact CB-O 3.5Å
588	L	78.1	Confident	82.9	Confident	12 Å²	12	54.3 Å²	54.3	6%	0.063	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-84.7	139.8	179.3	-71.2	167.4	0	0	0	111.6	L577 I580 F592 F593 F629	L577-L588 HydrophobicContact CD2-CD1 3.16Å; I580-L588 HydrophobicContact CB-CD2 4.38Å; I580-L588 HydrophobicContact CD1-CD2 3.61Å; I580-L588 HydrophobicContact CG2-CD2 3.71Å; I580-L588 HydrophobicContact CG2-CG 4.07Å; L588-F592 HydrophobicContact CD1-CD1 4.42Å; L588-F592 HydrophobicContact CD1-CE1 4.32Å; L588-F592 HydrophobicContact CD2-CB 4.48Å; L588-F592 HydrophobicContact CD2-CD1 3.6Å; L588-F592 HydrophobicContact CD2-CD2 4.43Å; L588-F592 HydrophobicContact CD2-CE1 3.79Å; L588-F592 HydrophobicContact CD2-CG 3.93Å; L588-F592 HydrophobicContact CD2-CZ 4.32Å; L588-F592 HydrophobicContact CG-CD1 4.46Å; L588-F593 HydrophobicContact CB-CE2 4.05Å; L588-F593 HydrophobicContact CD1-CE2 4.34Å; L588-F593 HydrophobicContact CD1-CZ 4.12Å; L588-F629 HydrophobicContact CD1-CE1 4.02Å; L588-F629 HydrophobicContact CD1-CE2 3.98Å; L588-F629 HydrophobicContact CD1-CZ 3.67Å
589	N	81.8	Confident	82.9	Confident	82 Å²	82	51.5 Å²	51.5	44%	0.439	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-95.9	155.2	175.9	-65.9	-11	0	0	0	110.5	S591 F592	N589-S591 PolarHBondContact O-N 3.16Å; N589-F592 VanDerWaalsContact O-CB 3.29Å; N589-F592 WeakPolarHBondContact O-CB 3.45Å; N589-F592 PolarHBondContact O-N 3.07Å
590	I	83.5	Confident	83	Confident	26 Å²	26	51.6 Å²	51.6	13%	0.133	25%	0.246	C	C	.	.	H	α-helix	trans	-57.7	-36.2	177	-61.3	161.9	0	0	0	111.4	F592 F593 T594 L631 T632 D634	I590-F592 PolarHBondContact O-N 3.18Å; I590-F593 PolarHBondContact O-N 3.37Å; I590-T594 PolarHBondContact O-N 3.28Å; I590-T594 PolarHBondContact O-OG1 3.29Å; I590-T594 VanDerWaalsContact O-OG1 3.14Å; I590-L631 HydrophobicContact CG1-CB 4.18Å; I590-L631 HydrophobicContact CG1-CD1 4.26Å; I590-L631 HydrophobicContact CG1-CD2 4.32Å; I590-L631 HydrophobicContact CG1-CG 4.49Å; I590-T632 WeakPolarHBondContact CD1-O 3.22Å; I590-D634 WeakPolarHBondContact CD1-OD2 3.32Å; I590-D634 HydrophobicContact CG2-CB 4.28Å
591	S	83.9	Confident	83	Confident	56 Å²	56	51.7 Å²	51.7	39%	0.392	25%	0.246	S	C	.	.	H	α-helix	trans	-52.6	-37	176.1	-172.1	0	0	0	0	113.2	N589 T594 C595	N589-S591 PolarHBondContact O-N 3.16Å; S591-T594 WeakPolarHBondContact O-CB 3.21Å; S591-T594 PolarHBondContact O-N 3.13Å; S591-C595 PolarHBondContact O-N 3.3Å; S591-C595 PolarHBondContact O-SG 3.03Å
592	F	87.1	Confident	82.9	Confident	1 Å²	1	53.7 Å²	53.7	0%	0.004	26%	0.263	C	S	.	.	H	α-helix	trans	-62.9	-47.3	176.1	173.9	-102	0	0	0	111.8	F429 T433 L576 L577 I580 L588 N589 I590 T594 C595 I596	F429-F592 HydrophobicContact CB-CD2 4.34Å; F429-F592 HydrophobicContact CB-CE2 4.14Å; T433-F592 HydrophobicContact CG2-CD2 4.19Å; T433-F592 HydrophobicContact CG2-CE2 3.58Å; T433-F592 HydrophobicContact CG2-CZ 4.34Å; L576-F592 HydrophobicContact CD1-CZ 4.35Å; L576-F592 HydrophobicContact CD2-CE2 3.82Å; L576-F592 HydrophobicContact CD2-CZ 3.48Å; L576-F592 VanDerWaalsContact CD2-CZ 3.48Å; L576-F592 HydrophobicContact CG-CZ 4.49Å; L577-F592 HydrophobicContact CD2-CE1 3.93Å; I580-F592 HydrophobicContact CD1-CE2 4.01Å; I580-F592 HydrophobicContact CD1-CZ 3.91Å; L588-F592 HydrophobicContact CD1-CD1 4.42Å; L588-F592 HydrophobicContact CD1-CE1 4.32Å; L588-F592 HydrophobicContact CD2-CB 4.48Å; L588-F592 HydrophobicContact CD2-CD1 3.6Å; L588-F592 HydrophobicContact CD2-CD2 4.43Å; L588-F592 HydrophobicContact CD2-CE1 3.79Å; L588-F592 HydrophobicContact CD2-CG 3.93Å; L588-F592 HydrophobicContact CD2-CZ 4.32Å; L588-F592 HydrophobicContact CG-CD1 4.46Å; N589-F592 VanDerWaalsContact O-CB 3.29Å; N589-F592 WeakPolarHBondContact O-CB 3.45Å; N589-F592 PolarHBondContact O-N 3.07Å; I590-F592 PolarHBondContact O-N 3.18Å; F592-T594 VanDerWaalsContact C-N 3.32Å; F592-T594 PolarHBondContact O-N 2.98Å; F592-C595 PolarHBondContact O-N 3.09Å; F592-I596 HydrophobicContact CD1-CD1 3.63Å; F592-I596 HydrophobicContact CE1-CD1 3.07Å; F592-I596 HydrophobicContact CE1-CG1 4.19Å; F592-I596 HydrophobicContact CE2-CD1 4.11Å; F592-I596 HydrophobicContact CG-CD1 4.36Å; F592-I596 HydrophobicContact CZ-CD1 3.33Å; F592-I596 HydrophobicContact CZ-CG1 4.14Å; F592-I596 PolarHBondContact O-N 2.91Å
593	F	88.2	Confident	82.7	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.5	-36.8	176	-69.4	-78.8	0	0	0	111.9	L577 L588 I590 C595 I596 I597 L625 L626 F629 L631 L637	L577-F593 HydrophobicContact CD2-CZ 4.43Å; L588-F593 HydrophobicContact CB-CE2 4.05Å; L588-F593 HydrophobicContact CD1-CE2 4.34Å; L588-F593 HydrophobicContact CD1-CZ 4.12Å; I590-F593 PolarHBondContact O-N 3.37Å; F593-C595 VanDerWaalsContact C-N 3.32Å; F593-C595 PolarHBondContact O-N 3.31Å; F593-I596 PolarHBondContact O-N 2.82Å; F593-I597 WeakPolarHBondContact O-CG1 3.11Å; F593-I597 PolarHBondContact O-N 3.03Å; F593-L625 HydrophobicContact CE1-CB 4.04Å; F593-L626 HydrophobicContact CB-CD2 4.1Å; F593-L626 HydrophobicContact CD1-CD2 4.24Å; F593-L626 HydrophobicContact CD2-CD2 3.72Å; F593-L626 HydrophobicContact CE2-CD2 4.19Å; F593-L626 HydrophobicContact CG-CD2 3.75Å; F593-F629 HydrophobicContact CE2-CD2 4.26Å; F593-F629 AromaticContact CZ-CD2 3.62Å; F593-F629 HydrophobicContact CZ-CD2 3.62Å; F593-F629 AromaticContact CZ-CE2 3.88Å; F593-F629 HydrophobicContact CZ-CE2 3.88Å; F593-L631 HydrophobicContact CD2-CD1 3.85Å; F593-L631 HydrophobicContact CE2-CD1 3.56Å; F593-L637 HydrophobicContact CB-CD1 3.93Å
594	T	87	Confident	82.5	Confident	24 Å²	24	49.3 Å²	49.3	15%	0.147	25%	0.248	C	C	.	.	H	α-helix	trans	-60.5	-40.5	173.2	-48.4	0	0	0	0	112.1	I590 S591 F592 A640	I590-T594 PolarHBondContact O-N 3.28Å; I590-T594 PolarHBondContact O-OG1 3.29Å; I590-T594 VanDerWaalsContact O-OG1 3.14Å; S591-T594 WeakPolarHBondContact O-CB 3.21Å; S591-T594 PolarHBondContact O-N 3.13Å; F592-T594 VanDerWaalsContact C-N 3.32Å; F592-T594 PolarHBondContact O-N 2.98Å; T594-A640 HydrophobicContact CG2-CB 3.93Å
595	C	84.6	Confident	81.6	Confident	16 Å²	16	54.1 Å²	54.1	11%	0.108	27%	0.269	C	S	.	.	H	α-helix	trans	-69.4	-40	175.3	-73.9	0	0	0	0	112.5	T430 S591 F592 F593 I597 R598	T430-C595 HydrophobicContact CG2-CB 4.48Å; S591-C595 PolarHBondContact O-N 3.3Å; S591-C595 PolarHBondContact O-SG 3.03Å; F592-C595 PolarHBondContact O-N 3.09Å; F593-C595 VanDerWaalsContact C-N 3.32Å; F593-C595 PolarHBondContact O-N 3.31Å; C595-I597 VanDerWaalsContact C-N 3.26Å; C595-I597 PolarHBondContact O-N 3.22Å; C595-R598 WeakPolarHBondContact O-CB 3.26Å; C595-R598 PolarHBondContact O-N 3.41Å
596	I	87.9	Confident	80.4	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-57	-37.9	177.5	-80.2	171.1	0	0	0	112.3	T433 L573 F592 F593 R598 L599 L600	T433-I596 HydrophobicContact CG2-CG1 4.3Å; L573-I596 HydrophobicContact CD1-CD1 3.59Å; L573-I596 HydrophobicContact CD1-CG1 4.49Å; L573-I596 HydrophobicContact CD1-CG2 3.96Å; F592-I596 HydrophobicContact CD1-CD1 3.63Å; F592-I596 HydrophobicContact CE1-CD1 3.07Å; F592-I596 HydrophobicContact CE1-CG1 4.19Å; F592-I596 HydrophobicContact CE2-CD1 4.11Å; F592-I596 HydrophobicContact CG-CD1 4.36Å; F592-I596 HydrophobicContact CZ-CD1 3.33Å; F592-I596 HydrophobicContact CZ-CG1 4.14Å; F592-I596 PolarHBondContact O-N 2.91Å; F593-I596 PolarHBondContact O-N 2.82Å; I596-R598 PolarHBondContact O-N 3.47Å; I596-L599 WeakPolarHBondContact O-CA 3.39Å; I596-L599 WeakPolarHBondContact O-CB 3.44Å; I596-L599 PolarHBondContact O-N 3.42Å; I596-L600 HydrophobicContact CG2-CD2 4.1Å; I596-L600 HydrophobicContact CG2-CG 4.34Å; I596-L600 PolarHBondContact O-N 3.48Å
597	I	86.6	Confident	78.7	Confident	4 Å²	4	54.7 Å²	54.7	2%	0.021	29%	0.286	C	S	.	.	H	α-helix	trans	-56	-32.1	-177.8	-69	161.7	0	0	0	112.1	F593 C595 L599 L600 L637 A640 L641 R644	F593-I597 WeakPolarHBondContact O-CG1 3.11Å; F593-I597 PolarHBondContact O-N 3.03Å; C595-I597 VanDerWaalsContact C-N 3.26Å; C595-I597 PolarHBondContact O-N 3.22Å; I597-L599 VanDerWaalsContact C-N 3.26Å; I597-L599 PolarHBondContact O-N 2.88Å; I597-L600 HydrophobicContact CB-CD1 4.5Å; I597-L600 HydrophobicContact CG1-CD1 4.38Å; I597-L600 PolarHBondContact O-N 3.18Å; I597-L637 HydrophobicContact CD1-CD1 3.44Å; I597-L637 VanDerWaalsContact CD1-CD1 3.44Å; I597-L637 HydrophobicContact CD1-CG 4.01Å; I597-A640 HydrophobicContact CB-CB 4.19Å; I597-A640 HydrophobicContact CD1-CB 3.82Å; I597-A640 HydrophobicContact CG2-CB 4.06Å; I597-L641 HydrophobicContact CB-CD2 4.49Å; I597-L641 HydrophobicContact CD1-CD2 3.53Å; I597-L641 HydrophobicContact CD1-CG 3.68Å; I597-L641 HydrophobicContact CG1-CD2 3.71Å; I597-L641 HydrophobicContact CG1-CG 4.42Å; I597-L641 HydrophobicContact CG2-CD2 3.93Å; I597-R644 HydrophobicContact CG2-CB 4.07Å
598	R	81.1	Confident	77.1	Confident	147 Å²	147	53.9 Å²	53.9	56%	0.555	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-21.4	176.6	-62.4	-177.8	178	170.7	2.6	113.3	C595 I596	C595-R598 WeakPolarHBondContact O-CB 3.26Å; C595-R598 PolarHBondContact O-N 3.41Å; I596-R598 PolarHBondContact O-N 3.47Å
599	L	83.7	Confident	75.4	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-12.8	177.2	-55.7	-177.9	0	0	0	112.7	T433 M436 G437 P563 W564 L567 I596 I597	T433-L599 HydrophobicContact CG2-CD1 4.08Å; M436-L599 VanDerWaalsContact C-CD2 3.47Å; M436-L599 HydrophobicContact CB-CD1 4.06Å; M436-L599 HydrophobicContact CB-CD2 3.67Å; M436-L599 HydrophobicContact CE-CD1 4.34Å; M436-L599 HydrophobicContact SD-CD1 4.33Å; G437-L599 VanDerWaalsContact N-CD2 3.35Å; P563-L599 HydrophobicContact CB-CD2 3.9Å; W564-L599 WeakPolarHBondContact CA-O 3.41Å; W564-L599 WeakPolarHBondContact CB-O 3.31Å; W564-L599 PolarHBondContact N-O 3.49Å; W564-L599 VanDerWaalsContact N-O 3.13Å; L567-L599 HydrophobicContact CB-CB 4.34Å; L567-L599 HydrophobicContact CD1-CD1 4.18Å; L567-L599 HydrophobicContact CD2-CB 4.25Å; I596-L599 WeakPolarHBondContact O-CA 3.39Å; I596-L599 WeakPolarHBondContact O-CB 3.44Å; I596-L599 PolarHBondContact O-N 3.42Å; I597-L599 VanDerWaalsContact C-N 3.26Å; I597-L599 PolarHBondContact O-N 2.88Å
600	L	86.2	Confident	73.7	Confident	13 Å²	13	62.4 Å²	62.4	7%	0.068	32%	0.32	C	S	.	.	S	Bend	trans	-69.8	149.7	-176.9	-62.3	173.8	0	0	0	111.5	I596 I597 W618 V622	I596-L600 HydrophobicContact CG2-CD2 4.1Å; I596-L600 HydrophobicContact CG2-CG 4.34Å; I596-L600 PolarHBondContact O-N 3.48Å; I597-L600 HydrophobicContact CB-CD1 4.5Å; I597-L600 HydrophobicContact CG1-CD1 4.38Å; I597-L600 PolarHBondContact O-N 3.18Å; L600-W618 HydrophobicContact CD1-CB 4.16Å; L600-W618 HydrophobicContact CD2-CE3 3.96Å; L600-V622 HydrophobicContact CD1-CG2 4Å
601	P	82.9	Confident	72	Confident	2 Å²	2	66.1 Å²	66.1	1%	0.013	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-53.7	152.6	171.5	-25.4	34.6	0	0	0	111.9	T533 A536 W564 W618 R644	T533-P601 HydrophobicContact CG2-CB 4.4Å; A536-P601 HydrophobicContact CB-CG 4.1Å; W564-P601 HydrophobicContact CB-CB 4.46Å; W564-P601 HydrophobicContact CB-CG 3.77Å; W564-P601 HydrophobicContact CD2-CG 4.17Å; W564-P601 HydrophobicContact CE3-CG 4.49Å; W564-P601 HydrophobicContact CG-CB 4.25Å; W564-P601 HydrophobicContact CG-CG 3.88Å; P601-W618 HydrophobicContact CG-CD2 4.41Å; P601-W618 HydrophobicContact CG-CH2 4.18Å; P601-W618 HydrophobicContact CG-CZ2 3.72Å; P601-R644 PolarHBondContact O-NE 2.83Å; P601-R644 VanDerWaalsContact O-NE 3.15Å; P601-R644 PolarHBondContact O-NH2 3.07Å
602	P	78.9	Confident	70.4	Confident	89 Å²	89	69 Å²	69	58%	0.578	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-62.8	142.8	172.7	27.7	-33.6	0	0	0	110.2
603	P	77.2	Confident	69	Low	12 Å²	12	74.5 Å²	74.5	8%	0.078	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-63.9	137.6	177.5	27.6	-35	0	0	0	110.6	K605 A648 L650	P603-K605 PolarHBondContact O-N 3.22Å; P603-A648 HydrophobicContact CG-CB 3.54Å; P603-L650 HydrophobicContact CB-CD1 3.58Å; P603-L650 HydrophobicContact CG-CD1 3.48Å; P603-L650 VanDerWaalsContact CG-CD1 3.48Å; P603-L650 HydrophobicContact CG-CG 4.47Å
604	V	71.1	Confident	68.3	Low	110 Å²	110	77.3 Å²	77.3	67%	0.667	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-71.1	126.7	-177.8	-177.9	0	0	0	0	109.7	S606	V604-S606 VanDerWaalsContact C-N 3.31Å; V604-S606 PolarHBondContact O-N 2.93Å; V604-S606 VanDerWaalsContact O-N 3.1Å
605	K	63.1	Low	67.8	Low	143 Å²	143	79.7 Å²	79.7	62%	0.622	42%	0.416	S	S	*	.			trans	-78.7	81.7	166.2	-61.9	-179.3	-176.9	-179.4	0	107.8	P603 A648 L650	P603-K605 PolarHBondContact O-N 3.22Å; K605-A648 WeakPolarHBondContact CE-O 3.21Å; K605-A648 PolarHBondContact NZ-O 3.22Å; K605-A648 VanDerWaalsContact NZ-O 3.12Å; K605-L650 HydrophobicContact CG-CD2 4.17Å
606	S	54.1	Low	67.6	Low	62 Å²	62	80.3 Å²	80.3	43%	0.434	42%	0.418	S	S	.	.			trans	-69.4	139.7	168.2	54.3	0	0	0	0	108.8	V604 Q608 C609	V604-S606 VanDerWaalsContact C-N 3.31Å; V604-S606 PolarHBondContact O-N 2.93Å; V604-S606 VanDerWaalsContact O-N 3.1Å; S606-Q608 PolarHBondContact O-N 3.42Å; S606-C609 WeakPolarHBondContact O-CB 3.46Å; S606-C609 PolarHBondContact O-N 3.36Å; S606-C609 VanDerWaalsContact OG-CB 3.31Å; S606-C609 WeakPolarHBondContact OG-CB 3.3Å
607	D	46.5	Very low	67.4	Low	165 Å²	165	84.6 Å²	84.6	88%	0.882	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-16.2	179.5	-74.2	-34.8	0	0	0	112.7
608	Q	45	Very low	67.2	Low	168 Å²	168	85 Å²	85	79%	0.785	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	1.9	175	-62.8	-179.8	-3.2	0	0	113.7	S606 T611	S606-Q608 PolarHBondContact O-N 3.42Å; Q608-T611 PolarHBondContact O-OG1 2.95Å
609	C	42.9	Very low	67.4	Low	55 Å²	55	78 Å²	78	37%	0.372	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	12	-168.7	-141.7	0	0	0	0	116.1	S606 T611	S606-C609 WeakPolarHBondContact O-CB 3.46Å; S606-C609 PolarHBondContact O-N 3.36Å; S606-C609 VanDerWaalsContact OG-CB 3.31Å; S606-C609 WeakPolarHBondContact OG-CB 3.3Å; C609-T611 PolarHBondContact O-N 3.21Å
610	Y	45.7	Very low	67.5	Low	218 Å²	218	80.4 Å²	80.4	86%	0.855	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-9.4	168.2	-78.4	-78.9	0	0	0	112.6
611	T	48	Very low	67.4	Low	103 Å²	103	82.1 Å²	82.1	63%	0.632	44%	0.441	S	S	*	.	S	Bend	trans	-127.9	-17.9	-167.6	58.3	0	0	0	0	116.7	Q608 C609 D613	Q608-T611 PolarHBondContact O-OG1 2.95Å; C609-T611 PolarHBondContact O-N 3.21Å; T611-D613 PolarHBondContact O-N 2.78Å
612	N	50.8	Low	67.6	Low	118 Å²	118	82.1 Å²	82.1	63%	0.631	44%	0.441	S	S	*	.			trans	-99.6	102	-176.9	-76.5	-8.3	0	0	0	111.9	A614	N612-A614 PolarHBondContact O-N 2.77Å
613	D	57.9	Low	67.9	Low	115 Å²	115	79.5 Å²	79.5	62%	0.615	42%	0.422	S	S	*	.			trans	-54.8	35.3	168.3	-67.8	1.6	0	0	0	115	T611 H654	T611-D613 PolarHBondContact O-N 2.78Å; D613-H654 WeakPolarHBondContact CB-CE1 3.25Å; D613-H654 WeakPolarHBondContact CB-ND1 3.47Å; D613-H654 VanDerWaalsContact CG-NE2 3.32Å; D613-H654 IonicContact OD1-CD2 2.69Å; D613-H654 IonicContact OD1-CE1 2.77Å; D613-H654 PolarHBondContact OD1-CE1 3.09Å; D613-H654 IonicContact OD1-ND1 3.94Å; D613-H654 IonicContact OD1-NE2 3.63Å; D613-H654 PolarHBondContact OD1-NE2 3.09Å; D613-H654 IonicContact OD2-CE1 3.14Å; D613-H654 PolarHBondContact OD2-CE1 3.49Å; D613-H654 IonicContact OD2-ND1 3.89Å; D613-H654 IonicContact OD2-NE2 2.8Å
614	A	73.7	Confident	68.3	Low	59 Å²	59	83.2 Å²	83.2	49%	0.488	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-100.3	154.3	-175.2	0	0	0	0	0	112.6	N612 R645	N612-A614 PolarHBondContact O-N 2.77Å; A614-R645 PolarHBondContact O-NH2 3.37Å
615	F	76.4	Confident	69	Low	75 Å²	75	78.1 Å²	78.1	33%	0.329	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-69.1	141.9	167.7	-65.3	-64	0	0	0	110.3	E619 T620 L623 L655 D658	F615-E619 HydrophobicContact CB-CB 4.19Å; F615-E619 HydrophobicContact CD1-CB 4.48Å; F615-T620 HydrophobicContact CB-CG2 3.53Å; F615-T620 HydrophobicContact CG-CG2 4.48Å; F615-L623 HydrophobicContact CD1-CD1 4.24Å; F615-L623 HydrophobicContact CD2-CD1 4.48Å; F615-L623 HydrophobicContact CE1-CD1 4.17Å; F615-L623 HydrophobicContact CE2-CD1 4.41Å; F615-L623 HydrophobicContact CG-CD1 4.39Å; F615-L623 HydrophobicContact CZ-CD1 4.26Å; F615-L655 HydrophobicContact CD1-CD2 4.2Å; F615-L655 HydrophobicContact CE1-CD2 3.89Å; F615-D658 HydrophobicContact CE1-CB 4.49Å; F615-D658 HydrophobicContact CZ-CB 4.06Å
616	D	80.5	Confident	70	Confident	29 Å²	29	71.5 Å²	71.5	16%	0.155	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-67.7	157.6	172.8	-174.3	19.4	0	0	0	110.1	W618 E619 T620 R644	D616-W618 PolarHBondContact O-N 2.88Å; D616-W618 VanDerWaalsContact O-N 3.17Å; D616-E619 HydrophobicContact CB-CB 4.31Å; D616-E619 HydrophobicContact CB-CG 3.92Å; D616-E619 PolarHBondContact N-OE2 3.18Å; D616-E619 WeakPolarHBondContact O-CA 3.4Å; D616-E619 WeakPolarHBondContact O-CB 3.33Å; D616-E619 PolarHBondContact O-N 3.38Å; D616-T620 PolarHBondContact O-N 2.86Å; D616-T620 PolarHBondContact O-OG1 3.03Å; D616-R644 IonicContact OD2-CZ 3.89Å; D616-R644 IonicContact OD2-NH1 3.44Å; D616-R644 PolarHBondContact OD2-NH1 2.72Å; D616-R644 IonicContact OD2-NH2 3.42Å; D616-R644 PolarHBondContact OD2-NH2 3.25Å
617	T	82.2	Confident	71.6	Confident	90 Å²	90	72.5 Å²	72.5	55%	0.552	39%	0.389	S	S	*	.	H	α-helix	trans	-54.8	-40	-179.1	54.4	0	0	0	0	111.7	T620 E621	T617-T620 WeakPolarHBondContact CA-OG1 3.4Å; T617-T620 PolarHBondContact O-OG1 2.86Å; T617-E621 VanDerWaalsContact O-CG 3.28Å; T617-E621 WeakPolarHBondContact O-CG 3.35Å; T617-E621 PolarHBondContact O-N 2.87Å
618	W	82.6	Confident	73.4	Confident	13 Å²	13	71.2 Å²	71.2	5%	0.049	37%	0.371	C	S	.	.	H	α-helix	trans	-70.2	-34.8	177	-55.9	98.6	0	0	0	113.3	T533 A536 L537 L600 P601 D616 E621 V622	T533-W618 WeakPolarHBondContact O-CH2 3.44Å; T533-W618 WeakPolarHBondContact O-CZ2 3.25Å; A536-W618 HydrophobicContact CB-CH2 3.68Å; A536-W618 HydrophobicContact CB-CZ3 3.93Å; L537-W618 HydrophobicContact CB-CH2 4.42Å; L537-W618 HydrophobicContact CB-CZ3 4.27Å; L537-W618 HydrophobicContact CD1-CH2 4.33Å; L537-W618 HydrophobicContact CD1-CZ3 4.37Å; L537-W618 HydrophobicContact CD2-CE3 3.79Å; L537-W618 HydrophobicContact CD2-CH2 4.07Å; L537-W618 HydrophobicContact CD2-CZ3 3.32Å; L537-W618 HydrophobicContact CG-CE3 4.21Å; L537-W618 HydrophobicContact CG-CH2 3.55Å; L537-W618 HydrophobicContact CG-CZ3 3.33Å; L600-W618 HydrophobicContact CD1-CB 4.16Å; L600-W618 HydrophobicContact CD2-CE3 3.96Å; P601-W618 HydrophobicContact CG-CD2 4.41Å; P601-W618 HydrophobicContact CG-CH2 4.18Å; P601-W618 HydrophobicContact CG-CZ2 3.72Å; D616-W618 PolarHBondContact O-N 2.88Å; D616-W618 VanDerWaalsContact O-N 3.17Å; W618-E621 PolarHBondContact O-N 2.85Å; W618-V622 VanDerWaalsContact O-CG2 3.32Å; W618-V622 WeakPolarHBondContact O-CG2 3.4Å; W618-V622 PolarHBondContact O-N 2.96Å
619	E	86.1	Confident	75.1	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-70.1	-42.3	178.1	-65.6	169.8	175.3	0	0	110	F615 D616 E621 V622 L623 L641 R644 R645	F615-E619 HydrophobicContact CB-CB 4.19Å; F615-E619 HydrophobicContact CD1-CB 4.48Å; D616-E619 HydrophobicContact CB-CB 4.31Å; D616-E619 HydrophobicContact CB-CG 3.92Å; D616-E619 PolarHBondContact N-OE2 3.18Å; D616-E619 WeakPolarHBondContact O-CA 3.4Å; D616-E619 WeakPolarHBondContact O-CB 3.33Å; D616-E619 PolarHBondContact O-N 3.38Å; E619-E621 VanDerWaalsContact C-N 3.34Å; E619-E621 PolarHBondContact O-N 3.39Å; E619-V622 PolarHBondContact O-N 3.45Å; E619-L623 WeakPolarHBondContact O-CB 3.38Å; E619-L623 VanDerWaalsContact O-CG 3.23Å; E619-L623 WeakPolarHBondContact O-CG 3.12Å; E619-L623 PolarHBondContact O-N 3.41Å; E619-L641 HydrophobicContact CG-CD2 4.23Å; E619-R644 IonicContact OE1-NH1 2.77Å; E619-R644 PolarHBondContact OE1-NH1 3.41Å; E619-R645 WeakPolarHBondContact OE1-CG 3.37Å; E619-R645 IonicContact OE1-CZ 3.91Å; E619-R645 IonicContact OE1-NE 2.74Å; E619-R645 PolarHBondContact OE1-NE 3.3Å; E619-R645 IonicContact OE1-NH2 3.81Å; E619-R645 IonicContact OE2-CZ 3Å; E619-R645 VanDerWaalsContact OE2-CZ 3.3Å; E619-R645 IonicContact OE2-NE 3.45Å; E619-R645 PolarHBondContact OE2-NE 2.82Å; E619-R645 IonicContact OE2-NH2 3.07Å; E619-R645 PolarHBondContact OE2-NH2 3.5Å
620	T	85.2	Confident	77.1	Confident	50 Å²	50	72 Å²	72	31%	0.307	37%	0.366	S	S	.	.	H	α-helix	trans	-61.4	-42.2	173.2	51.3	0	0	0	0	111.7	F615 D616 T617 L623 N624	F615-T620 HydrophobicContact CB-CG2 3.53Å; F615-T620 HydrophobicContact CG-CG2 4.48Å; D616-T620 PolarHBondContact O-N 2.86Å; D616-T620 PolarHBondContact O-OG1 3.03Å; T617-T620 WeakPolarHBondContact CA-OG1 3.4Å; T617-T620 PolarHBondContact O-OG1 2.86Å; T620-L623 PolarHBondContact O-N 3.42Å; T620-N624 VanDerWaalsContact O-CB 3.28Å; T620-N624 WeakPolarHBondContact O-CB 3.21Å; T620-N624 PolarHBondContact O-N 3.11Å; T620-N624 PolarHBondContact O-ND2 3.11Å; T620-N624 PolarHBondContact O-OD1 3.27Å
621	E	84.4	Confident	78.8	Confident	49 Å²	49	63.6 Å²	63.6	23%	0.229	34%	0.336	C	S	.	.	H	α-helix	trans	-64.8	-43.9	178	-74.2	-63.7	127.1	0	0	112.2	L537 Y574 T617 W618 E619 N624 L625	L537-E621 HydrophobicContact CD2-CB 4.38Å; L537-E621 HydrophobicContact CD2-CG 4.02Å; Y574-E621 PolarHBondContact OH-OE2 3.46Å; T617-E621 VanDerWaalsContact O-CG 3.28Å; T617-E621 WeakPolarHBondContact O-CG 3.35Å; T617-E621 PolarHBondContact O-N 2.87Å; W618-E621 PolarHBondContact O-N 2.85Å; E619-E621 VanDerWaalsContact C-N 3.34Å; E619-E621 PolarHBondContact O-N 3.39Å; E621-N624 PolarHBondContact O-N 2.89Å; E621-L625 WeakPolarHBondContact O-CB 3.46Å; E621-L625 VanDerWaalsContact O-CG 3.29Å; E621-L625 WeakPolarHBondContact O-CG 3.29Å; E621-L625 PolarHBondContact O-N 2.79Å
622	V	86.5	Confident	80.4	Confident	1 Å²	1	63.7 Å²	63.7	1%	0.006	34%	0.337	C	S	.	.	H	α-helix	trans	-63.1	-44.4	176.2	170.6	0	0	0	0	111.1	L600 W618 E619 L625 L626	L600-V622 HydrophobicContact CD1-CG2 4Å; W618-V622 VanDerWaalsContact O-CG2 3.32Å; W618-V622 WeakPolarHBondContact O-CG2 3.4Å; W618-V622 PolarHBondContact O-N 2.96Å; E619-V622 PolarHBondContact O-N 3.45Å; V622-L625 PolarHBondContact O-N 3.25Å; V622-L626 HydrophobicContact CG1-CD1 3.99Å; V622-L626 HydrophobicContact CG1-CG 4.49Å; V622-L626 VanDerWaalsContact O-CG 3.25Å; V622-L626 WeakPolarHBondContact O-CG 3.46Å; V622-L626 PolarHBondContact O-N 3.31Å
623	L	85.9	Confident	81.9	Confident	35 Å²	35	59.6 Å²	59.6	18%	0.183	32%	0.316	C	S	.	.	H	α-helix	trans	-63.8	-40.3	176.9	-69.3	172.3	0	0	0	112	F615 E619 T620 L626 S627	F615-L623 HydrophobicContact CD1-CD1 4.24Å; F615-L623 HydrophobicContact CD2-CD1 4.48Å; F615-L623 HydrophobicContact CE1-CD1 4.17Å; F615-L623 HydrophobicContact CE2-CD1 4.41Å; F615-L623 HydrophobicContact CG-CD1 4.39Å; F615-L623 HydrophobicContact CZ-CD1 4.26Å; E619-L623 WeakPolarHBondContact O-CB 3.38Å; E619-L623 VanDerWaalsContact O-CG 3.23Å; E619-L623 WeakPolarHBondContact O-CG 3.12Å; E619-L623 PolarHBondContact O-N 3.41Å; T620-L623 PolarHBondContact O-N 3.42Å; L623-L626 HydrophobicContact CD2-CD1 4.31Å; L623-L626 PolarHBondContact O-N 3.03Å; L623-S627 PolarHBondContact O-N 3.15Å
624	N	86.8	Confident	83.2	Confident	89 Å²	89	57.2 Å²	57.2	48%	0.476	30%	0.303	S	S	.	.	H	α-helix	trans	-61.8	-44.2	174.4	-72.5	-18.4	0	0	0	111.2	T620 E621 S627 R628	T620-N624 VanDerWaalsContact O-CB 3.28Å; T620-N624 WeakPolarHBondContact O-CB 3.21Å; T620-N624 PolarHBondContact O-N 3.11Å; T620-N624 PolarHBondContact O-ND2 3.11Å; T620-N624 PolarHBondContact O-OD1 3.27Å; E621-N624 PolarHBondContact O-N 2.89Å; N624-S627 PolarHBondContact O-N 3.31Å; N624-S627 PolarHBondContact O-OG 3.33Å; N624-R628 PolarHBondContact O-N 2.94Å
625	L	84	Confident	83.7	Confident	4 Å²	4	56.2 Å²	56.2	2%	0.021	29%	0.291	C	S	.	.	H	α-helix	trans	-63.7	-42.6	176.5	-71.6	169.1	0	0	0	112	L573 Y574 L577 F593 E621 V622 S627 R628 F629	L573-L625 HydrophobicContact CD1-CD1 4.29Å; L573-L625 HydrophobicContact CD2-CD1 3.44Å; L573-L625 VanDerWaalsContact CD2-CD1 3.44Å; L573-L625 HydrophobicContact CG-CD1 3.83Å; Y574-L625 HydrophobicContact CE1-CD2 3.99Å; L577-L625 HydrophobicContact CD1-CD1 3.77Å; L577-L625 HydrophobicContact CD1-CD2 3.79Å; L577-L625 HydrophobicContact CD1-CG 4.38Å; F593-L625 HydrophobicContact CE1-CB 4.04Å; E621-L625 WeakPolarHBondContact O-CB 3.46Å; E621-L625 VanDerWaalsContact O-CG 3.29Å; E621-L625 WeakPolarHBondContact O-CG 3.29Å; E621-L625 PolarHBondContact O-N 2.79Å; V622-L625 PolarHBondContact O-N 3.25Å; L625-S627 VanDerWaalsContact C-N 3.29Å; L625-S627 PolarHBondContact O-N 3.17Å; L625-R628 WeakPolarHBondContact O-CB 3.31Å; L625-R628 PolarHBondContact O-N 2.78Å; L625-R628 VanDerWaalsContact O-N 3.15Å; L625-F629 WeakPolarHBondContact O-CD2 3.3Å; L625-F629 PolarHBondContact O-N 3.25Å
626	L	85.7	Confident	84.2	Confident	3 Å²	3	54.8 Å²	54.8	2%	0.016	29%	0.288	C	S	.	.	H	α-helix	trans	-60.4	-41.1	175.6	-68	163	0	0	0	111.8	F593 V622 L623 R628 F629 K630 L631 V633 L637	F593-L626 HydrophobicContact CB-CD2 4.1Å; F593-L626 HydrophobicContact CD1-CD2 4.24Å; F593-L626 HydrophobicContact CD2-CD2 3.72Å; F593-L626 HydrophobicContact CE2-CD2 4.19Å; F593-L626 HydrophobicContact CG-CD2 3.75Å; V622-L626 HydrophobicContact CG1-CD1 3.99Å; V622-L626 HydrophobicContact CG1-CG 4.49Å; V622-L626 VanDerWaalsContact O-CG 3.25Å; V622-L626 WeakPolarHBondContact O-CG 3.46Å; V622-L626 PolarHBondContact O-N 3.31Å; L623-L626 HydrophobicContact CD2-CD1 4.31Å; L623-L626 PolarHBondContact O-N 3.03Å; L626-R628 VanDerWaalsContact C-N 3.35Å; L626-F629 CarbonylContact O-C 3.59Å; L626-F629 PolarHBondContact O-N 3.04Å; L626-K630 PolarHBondContact O-N 3.36Å; L626-L631 HydrophobicContact CD2-CB 4.13Å; L626-L631 HydrophobicContact CD2-CD1 4.09Å; L626-L631 PolarHBondContact O-N 3.47Å; L626-V633 HydrophobicContact CD1-CG2 4.33Å; L626-L637 HydrophobicContact CD1-CD2 3.28Å; L626-L637 HydrophobicContact CD2-CD2 4.15Å; L626-L637 HydrophobicContact CG-CD2 4.35Å
627	S	86.5	Confident	84.5	Confident	83 Å²	83	53.4 Å²	53.4	58%	0.58	28%	0.281	S	S	*	.	H	α-helix	trans	-63.3	-40.5	175.3	81.1	0	0	0	0	111.9	L623 N624 L625 F629 K630	L623-S627 PolarHBondContact O-N 3.15Å; N624-S627 PolarHBondContact O-N 3.31Å; N624-S627 PolarHBondContact O-OG 3.33Å; L625-S627 VanDerWaalsContact C-N 3.29Å; L625-S627 PolarHBondContact O-N 3.17Å; S627-F629 PolarHBondContact O-N 3.15Å; S627-K630 PolarHBondContact O-N 2.89Å; S627-K630 VanDerWaalsContact O-N 3.12Å
628	R	84.6	Confident	84.8	Confident	138 Å²	138	49.1 Å²	49.1	52%	0.521	26%	0.255	S	S	.	.	H	α-helix	trans	-62	-42.1	175.4	174.9	-179.8	161.6	-174.5	-10.4	111.6	E581 N624 L625 L626 K630	E581-R628 IonicContact OE1-CZ 3.42Å; E581-R628 IonicContact OE1-NH2 2.91Å; E581-R628 PolarHBondContact OE1-NH2 3.18Å; E581-R628 VanDerWaalsContact OE1-NH2 3.14Å; E581-R628 IonicContact OE2-CZ 2.91Å; E581-R628 IonicContact OE2-NH2 2.88Å; E581-R628 PolarHBondContact OE2-NH2 3.19Å; N624-R628 PolarHBondContact O-N 2.94Å; L625-R628 WeakPolarHBondContact O-CB 3.31Å; L625-R628 PolarHBondContact O-N 2.78Å; L625-R628 VanDerWaalsContact O-N 3.15Å; L626-R628 VanDerWaalsContact C-N 3.35Å; R628-K630 VanDerWaalsContact C-N 3.25Å; R628-K630 PolarHBondContact O-N 3.48Å
629	F	81.5	Confident	85	Confident	49 Å²	49	49 Å²	49	22%	0.215	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-0.4	177.1	-71.6	-71.5	0	0	0	114	L577 E581 L588 F593 L625 L626 S627 L631	L577-F629 HydrophobicContact CD2-CE2 4.16Å; L577-F629 HydrophobicContact CD2-CZ 4.26Å; E581-F629 HydrophobicContact CG-CE1 4.15Å; E581-F629 HydrophobicContact CG-CZ 4.18Å; E581-F629 WeakPolarHBondContact OE1-CE1 3.36Å; E581-F629 WeakPolarHBondContact OE1-CZ 3.48Å; L588-F629 HydrophobicContact CD1-CE1 4.02Å; L588-F629 HydrophobicContact CD1-CE2 3.98Å; L588-F629 HydrophobicContact CD1-CZ 3.67Å; F593-F629 HydrophobicContact CE2-CD2 4.26Å; F593-F629 AromaticContact CZ-CD2 3.62Å; F593-F629 HydrophobicContact CZ-CD2 3.62Å; F593-F629 AromaticContact CZ-CE2 3.88Å; F593-F629 HydrophobicContact CZ-CE2 3.88Å; L625-F629 WeakPolarHBondContact O-CD2 3.3Å; L625-F629 PolarHBondContact O-N 3.25Å; L626-F629 CarbonylContact O-C 3.59Å; L626-F629 PolarHBondContact O-N 3.04Å; S627-F629 PolarHBondContact O-N 3.15Å; F629-L631 HydrophobicContact CB-CD1 3.97Å; F629-L631 HydrophobicContact CB-CG 3.86Å; F629-L631 PolarHBondContact O-N 3.07Å
630	K	83.3	Confident	85	Confident	190 Å²	190	49.7 Å²	49.7	83%	0.826	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	36	-176.3	-58.4	179.7	178.1	179.2	0	112.9	L626 S627 R628	L626-K630 PolarHBondContact O-N 3.36Å; S627-K630 PolarHBondContact O-N 2.89Å; S627-K630 VanDerWaalsContact O-N 3.12Å; R628-K630 VanDerWaalsContact C-N 3.25Å; R628-K630 PolarHBondContact O-N 3.48Å
631	L	82.7	Confident	85.1	Confident	43 Å²	43	47.3 Å²	47.3	23%	0.225	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-86.9	135.5	178.4	-65.9	175.7	0	0	0	110.1	I590 F593 L626 F629	I590-L631 HydrophobicContact CG1-CB 4.18Å; I590-L631 HydrophobicContact CG1-CD1 4.26Å; I590-L631 HydrophobicContact CG1-CD2 4.32Å; I590-L631 HydrophobicContact CG1-CG 4.49Å; F593-L631 HydrophobicContact CD2-CD1 3.85Å; F593-L631 HydrophobicContact CE2-CD1 3.56Å; L626-L631 HydrophobicContact CD2-CB 4.13Å; L626-L631 HydrophobicContact CD2-CD1 4.09Å; L626-L631 PolarHBondContact O-N 3.47Å; F629-L631 HydrophobicContact CB-CD1 3.97Å; F629-L631 HydrophobicContact CB-CG 3.86Å; F629-L631 PolarHBondContact O-N 3.07Å
632	T	80.7	Confident	85.2	Confident	105 Å²	105	45 Å²	45	64%	0.644	24%	0.235	S	C	*	.	P	Polyproline II helix	trans	-71.9	136.8	170.6	50.3	0	0	0	0	109.4	I590 D634	I590-T632 WeakPolarHBondContact CD1-O 3.22Å; T632-D634 PolarHBondContact O-N 3.34Å
633	V	82.9	Confident	85.1	Confident	32 Å²	32	48.9 Å²	48.9	19%	0.194	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-78.3	125.9	178.7	-173.8	0	0	0	0	109.2	L626 L637 Y638 L664	L626-V633 HydrophobicContact CD1-CG2 4.33Å; V633-L637 HydrophobicContact CG1-CB 4.28Å; V633-L637 HydrophobicContact CG1-CD2 3.73Å; V633-L637 HydrophobicContact CG1-CG 4.48Å; V633-Y638 HydrophobicContact CB-CE2 3.92Å; V633-Y638 HydrophobicContact CG1-CD2 3.48Å; V633-Y638 VanDerWaalsContact CG1-CD2 3.48Å; V633-Y638 HydrophobicContact CG1-CE2 3.15Å; V633-Y638 HydrophobicContact CG1-CG 4.41Å; V633-L664 WeakPolarHBondContact O-CD1 3.39Å
634	D	84.8	Confident	85	Confident	64 Å²	64	47.9 Å²	47.9	34%	0.342	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-93.7	162.3	177.9	-68.9	-18.4	0	0	0	112.3	I590 T632 T636 L637 Y638	I590-D634 WeakPolarHBondContact CD1-OD2 3.32Å; I590-D634 HydrophobicContact CG2-CB 4.28Å; T632-D634 PolarHBondContact O-N 3.34Å; D634-T636 PolarHBondContact O-N 3.5Å; D634-L637 PolarHBondContact O-N 3.11Å; D634-Y638 PolarHBondContact O-N 3.47Å
635	T	85.3	Confident	84.9	Confident	39 Å²	39	44.5 Å²	44.5	24%	0.239	23%	0.228	C	C	.	.	H	α-helix	trans	-59.1	-33.8	174.2	60	0	0	0	0	112.6	L637 Y638 N639 M659 L664	T635-L637 PolarHBondContact O-N 2.99Å; T635-Y638 PolarHBondContact O-N 3.06Å; T635-N639 WeakPolarHBondContact O-CB 3.22Å; T635-N639 PolarHBondContact O-N 3.34Å; T635-N639 PolarHBondContact O-ND2 3Å; T635-N639 PolarHBondContact O-OD1 3.42Å; T635-M659 HydrophobicContact CG2-CE 3.79Å; T635-L664 HydrophobicContact CG2-CB 4.27Å; T635-L664 HydrophobicContact CG2-CD2 4.18Å
636	T	85.2	Confident	84.8	Confident	44 Å²	44	44.7 Å²	44.7	27%	0.27	23%	0.229	S	C	.	.	H	α-helix	trans	-65.2	-37.6	178.8	55.5	0	0	0	0	112.3	D634 N639 A640	D634-T636 PolarHBondContact O-N 3.5Å; T636-N639 PolarHBondContact O-N 3.31Å; T636-A640 PolarHBondContact O-N 2.86Å
637	L	87.8	Confident	84.4	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-68.9	-47.2	178.5	-167.4	72.3	0	0	0	111.1	F593 I597 L626 V633 D634 T635 N639 A640 L641	F593-L637 HydrophobicContact CB-CD1 3.93Å; I597-L637 HydrophobicContact CD1-CD1 3.44Å; I597-L637 VanDerWaalsContact CD1-CD1 3.44Å; I597-L637 HydrophobicContact CD1-CG 4.01Å; L626-L637 HydrophobicContact CD1-CD2 3.28Å; L626-L637 HydrophobicContact CD2-CD2 4.15Å; L626-L637 HydrophobicContact CG-CD2 4.35Å; V633-L637 HydrophobicContact CG1-CB 4.28Å; V633-L637 HydrophobicContact CG1-CD2 3.73Å; V633-L637 HydrophobicContact CG1-CG 4.48Å; D634-L637 PolarHBondContact O-N 3.11Å; T635-L637 PolarHBondContact O-N 2.99Å; L637-N639 VanDerWaalsContact C-N 3.31Å; L637-N639 PolarHBondContact O-N 3.36Å; L637-A640 WeakPolarHBondContact O-CB 3.2Å; L637-A640 PolarHBondContact O-N 2.82Å; L637-A640 VanDerWaalsContact O-N 3.16Å; L637-L641 PolarHBondContact O-N 2.74Å
638	Y	88.5	Confident	84	Confident	1 Å²	1	44.7 Å²	44.7	0%	0.004	23%	0.23	C	C	.	.	H	α-helix	trans	-59.9	-42	173.2	-84.5	-69	0	0	0	111.8	V633 D634 T635 A640 L641 I642 L655 D658 M659 N662 L664	V633-Y638 HydrophobicContact CB-CE2 3.92Å; V633-Y638 HydrophobicContact CG1-CD2 3.48Å; V633-Y638 VanDerWaalsContact CG1-CD2 3.48Å; V633-Y638 HydrophobicContact CG1-CE2 3.15Å; V633-Y638 HydrophobicContact CG1-CG 4.41Å; D634-Y638 PolarHBondContact O-N 3.47Å; T635-Y638 PolarHBondContact O-N 3.06Å; Y638-A640 VanDerWaalsContact C-N 3.27Å; Y638-A640 PolarHBondContact O-N 3.39Å; Y638-L641 PolarHBondContact O-N 3.36Å; Y638-L641 VanDerWaalsContact O-N 3.16Å; Y638-I642 WeakPolarHBondContact O-CB 3.45Å; Y638-I642 WeakPolarHBondContact O-CG1 3.27Å; Y638-I642 PolarHBondContact O-N 3.46Å; Y638-L655 HydrophobicContact CD1-CD2 4.45Å; Y638-L655 HydrophobicContact CE1-CD2 4.49Å; Y638-D658 HydrophobicContact CE1-CB 4.37Å; Y638-D658 PolarHBondContact OH-OD2 2.94Å; Y638-M659 HydrophobicContact CD1-CB 4.01Å; Y638-M659 HydrophobicContact CD2-CB 4.01Å; Y638-M659 HydrophobicContact CD2-CG 3.95Å; Y638-M659 HydrophobicContact CE1-CB 4.22Å; Y638-M659 HydrophobicContact CE2-CB 4.19Å; Y638-M659 HydrophobicContact CE2-CG 4.43Å; Y638-M659 HydrophobicContact CG-CB 3.91Å; Y638-M659 HydrophobicContact CG-CG 4.06Å; Y638-M659 HydrophobicContact CG-SD 4.4Å; Y638-N662 PolarHBondContact OH-ND2 3.31Å; Y638-L664 HydrophobicContact CD2-CD1 3.52Å; Y638-L664 HydrophobicContact CE2-CD1 3.58Å
639	N	86.9	Confident	83.4	Confident	9 Å²	9	39.6 Å²	39.6	5%	0.048	22%	0.221	C	C	.	.	H	α-helix	trans	-60.2	-38.3	176.2	-72.8	-12.2	0	0	0	112.1	T635 T636 L637 H643 N667 I669 T670	T635-N639 WeakPolarHBondContact O-CB 3.22Å; T635-N639 PolarHBondContact O-N 3.34Å; T635-N639 PolarHBondContact O-ND2 3Å; T635-N639 PolarHBondContact O-OD1 3.42Å; T636-N639 PolarHBondContact O-N 3.31Å; L637-N639 VanDerWaalsContact C-N 3.31Å; L637-N639 PolarHBondContact O-N 3.36Å; N639-H643 WeakPolarHBondContact O-CB 3.48Å; N639-H643 PolarHBondContact O-N 2.91Å; N639-N667 PolarHBondContact ND2-OD1 3.17Å; N639-I669 HydrophobicContact CB-CG2 4.45Å; N639-T670 PolarHBondContact ND2-OG1 3.27Å; N639-T670 WeakPolarHBondContact OD1-CA 3.27Å; N639-T670 WeakPolarHBondContact OD1-CB 2.98Å; N639-T670 WeakPolarHBondContact OD1-CG2 3.28Å; N639-T670 PolarHBondContact OD1-OG1 3.42Å
640	A	85.4	Confident	83.4	Confident	15 Å²	15	39 Å²	39	12%	0.124	22%	0.22	C	C	.	.	H	α-helix	trans	-66	-42.7	174.3	0	0	0	0	0	112.3	T594 I597 T636 L637 Y638 H643 R644	T594-A640 HydrophobicContact CG2-CB 3.93Å; I597-A640 HydrophobicContact CB-CB 4.19Å; I597-A640 HydrophobicContact CD1-CB 3.82Å; I597-A640 HydrophobicContact CG2-CB 4.06Å; T636-A640 PolarHBondContact O-N 2.86Å; L637-A640 WeakPolarHBondContact O-CB 3.2Å; L637-A640 PolarHBondContact O-N 2.82Å; L637-A640 VanDerWaalsContact O-N 3.16Å; Y638-A640 VanDerWaalsContact C-N 3.27Å; Y638-A640 PolarHBondContact O-N 3.39Å; A640-H643 PolarHBondContact O-N 2.87Å; A640-R644 PolarHBondContact O-N 3.45Å
641	L	87.7	Confident	83.2	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-64.6	-45.2	175.6	-67.2	177.9	0	0	0	112	I597 E619 L637 Y638 H643 R644 R645 L655	I597-L641 HydrophobicContact CB-CD2 4.49Å; I597-L641 HydrophobicContact CD1-CD2 3.53Å; I597-L641 HydrophobicContact CD1-CG 3.68Å; I597-L641 HydrophobicContact CG1-CD2 3.71Å; I597-L641 HydrophobicContact CG1-CG 4.42Å; I597-L641 HydrophobicContact CG2-CD2 3.93Å; E619-L641 HydrophobicContact CG-CD2 4.23Å; L637-L641 PolarHBondContact O-N 2.74Å; Y638-L641 PolarHBondContact O-N 3.36Å; Y638-L641 VanDerWaalsContact O-N 3.16Å; L641-H643 VanDerWaalsContact C-N 3.33Å; L641-H643 PolarHBondContact O-N 2.98Å; L641-R644 WeakPolarHBondContact O-CB 3.34Å; L641-R644 PolarHBondContact O-N 3.39Å; L641-R645 PolarHBondContact O-N 3.43Å; L641-L655 HydrophobicContact CB-CD1 3.78Å; L641-L655 HydrophobicContact CB-CD2 4.15Å; L641-L655 HydrophobicContact CD1-CD2 4.01Å
642	I	86.7	Confident	83.2	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-59.6	-47.4	176	-69.8	167.2	0	0	0	109.3	Y638 R644 R645 T646 A652 L655 T670 C673 L674	Y638-I642 WeakPolarHBondContact O-CB 3.45Å; Y638-I642 WeakPolarHBondContact O-CG1 3.27Å; Y638-I642 PolarHBondContact O-N 3.46Å; I642-R644 VanDerWaalsContact C-N 3.33Å; I642-R644 PolarHBondContact O-N 2.92Å; I642-R645 PolarHBondContact O-N 2.96Å; I642-T646 HydrophobicContact CG2-CG2 4.19Å; I642-T646 WeakPolarHBondContact O-CG2 3.44Å; I642-T646 PolarHBondContact O-N 3.28Å; I642-T646 PolarHBondContact O-OG1 2.65Å; I642-A652 HydrophobicContact CB-CB 4.39Å; I642-A652 HydrophobicContact CG1-CB 4.29Å; I642-A652 HydrophobicContact CG2-CB 3.93Å; I642-L655 HydrophobicContact CD1-CB 4.49Å; I642-L655 HydrophobicContact CG1-CB 3.82Å; I642-L655 HydrophobicContact CG1-CD1 4.07Å; I642-T670 HydrophobicContact CD1-CG2 3.73Å; I642-C673 HydrophobicContact CG2-CB 3.87Å; I642-L674 HydrophobicContact CG2-CD2 3.6Å; I642-L674 HydrophobicContact CG2-CG 3.93Å
643	H	84.6	Confident	83.2	Confident	82 Å²	82	33.4 Å²	33.4	38%	0.38	20%	0.196	S	C	.	.	H	α-helix	trans	-59.8	-41.6	176.2	179.6	-86.9	0	0	0	112.2	N639 A640 L641 R645 T646 S647 C673	N639-H643 WeakPolarHBondContact O-CB 3.48Å; N639-H643 PolarHBondContact O-N 2.91Å; A640-H643 PolarHBondContact O-N 2.87Å; L641-H643 VanDerWaalsContact C-N 3.33Å; L641-H643 PolarHBondContact O-N 2.98Å; H643-R645 PolarHBondContact O-N 2.9Å; H643-T646 PolarHBondContact O-N 3.04Å; H643-T646 PolarHBondContact O-OG1 3.35Å; H643-S647 WeakPolarHBondContact O-CB 3.43Å; H643-S647 PolarHBondContact O-N 3.19Å; H643-S647 PolarHBondContact O-OG 3.44Å; H643-C673 HydrophobicContact CB-CB 4.4Å
644	R	83.9	Confident	83.2	Confident	14 Å²	14	34 Å²	34	5%	0.053	20%	0.196	C	C	.	.	H	α-helix	trans	-56.5	-50.1	174.8	179.2	179.8	170.2	-95.4	1.4	110.6	I597 P601 D616 E619 A640 L641 I642 S647 A648	I597-R644 HydrophobicContact CG2-CB 4.07Å; P601-R644 PolarHBondContact O-NE 2.83Å; P601-R644 VanDerWaalsContact O-NE 3.15Å; P601-R644 PolarHBondContact O-NH2 3.07Å; D616-R644 IonicContact OD2-CZ 3.89Å; D616-R644 IonicContact OD2-NH1 3.44Å; D616-R644 PolarHBondContact OD2-NH1 2.72Å; D616-R644 IonicContact OD2-NH2 3.42Å; D616-R644 PolarHBondContact OD2-NH2 3.25Å; E619-R644 IonicContact OE1-NH1 2.77Å; E619-R644 PolarHBondContact OE1-NH1 3.41Å; A640-R644 PolarHBondContact O-N 3.45Å; L641-R644 WeakPolarHBondContact O-CB 3.34Å; L641-R644 PolarHBondContact O-N 3.39Å; I642-R644 VanDerWaalsContact C-N 3.33Å; I642-R644 PolarHBondContact O-N 2.92Å; R644-S647 PolarHBondContact O-OG 3.08Å; R644-A648 PolarHBondContact O-N 2.8Å
645	R	83.6	Confident	83.2	Confident	19 Å²	19	31 Å²	31	7%	0.072	18%	0.18	C	C	.	.	H	α-helix	trans	-64.9	-48.9	178	-74.1	-163.2	173.6	-158.9	-7.4	113.4	A614 E619 L641 I642 H643 S647 A648 G649 L650 A652 L655	A614-R645 PolarHBondContact O-NH2 3.37Å; E619-R645 WeakPolarHBondContact OE1-CG 3.37Å; E619-R645 IonicContact OE1-CZ 3.91Å; E619-R645 IonicContact OE1-NE 2.74Å; E619-R645 PolarHBondContact OE1-NE 3.3Å; E619-R645 IonicContact OE1-NH2 3.81Å; E619-R645 IonicContact OE2-CZ 3Å; E619-R645 VanDerWaalsContact OE2-CZ 3.3Å; E619-R645 IonicContact OE2-NE 3.45Å; E619-R645 PolarHBondContact OE2-NE 2.82Å; E619-R645 IonicContact OE2-NH2 3.07Å; E619-R645 PolarHBondContact OE2-NH2 3.5Å; L641-R645 PolarHBondContact O-N 3.43Å; I642-R645 PolarHBondContact O-N 2.96Å; H643-R645 PolarHBondContact O-N 2.9Å; R645-S647 VanDerWaalsContact C-N 3.29Å; R645-S647 PolarHBondContact O-N 3.47Å; R645-A648 PolarHBondContact O-N 3.24Å; R645-A648 VanDerWaalsContact O-N 3.11Å; R645-G649 PolarHBondContact O-N 2.72Å; R645-G649 VanDerWaalsContact O-N 3.17Å; R645-L650 HydrophobicContact CB-CB 4.36Å; R645-L650 PolarHBondContact O-N 2.62Å; R645-A652 HydrophobicContact CB-CB 4.27Å; R645-L655 HydrophobicContact CG-CD1 4.07Å
646	T	82.2	Confident	83.1	Confident	8 Å²	8	30.7 Å²	30.7	5%	0.049	18%	0.177	C	C	.	.	H	α-helix	trans	-68.4	-30.8	-177.1	61.6	0	0	0	0	112.1	I642 H643 A648 G649 A652 C673	I642-T646 HydrophobicContact CG2-CG2 4.19Å; I642-T646 WeakPolarHBondContact O-CG2 3.44Å; I642-T646 PolarHBondContact O-N 3.28Å; I642-T646 PolarHBondContact O-OG1 2.65Å; H643-T646 PolarHBondContact O-N 3.04Å; H643-T646 PolarHBondContact O-OG1 3.35Å; T646-A648 VanDerWaalsContact C-N 3.31Å; T646-A648 PolarHBondContact O-N 3.16Å; T646-G649 PolarHBondContact O-N 2.88Å; T646-G649 VanDerWaalsContact O-N 3.1Å; T646-A652 HydrophobicContact CG2-CB 4.11Å; T646-C673 WeakPolarHBondContact CB-O 3.21Å; T646-C673 WeakPolarHBondContact CG2-O 3.27Å; T646-C673 PolarHBondContact OG1-O 3.45Å
647	S	76.7	Confident	83	Confident	64 Å²	64	30.5 Å²	30.5	45%	0.448	18%	0.179	S	C	.	.	H	α-helix	trans	-66.9	-30.4	172.8	74	0	0	0	0	113.3	H643 R644 R645 G649	H643-S647 WeakPolarHBondContact O-CB 3.43Å; H643-S647 PolarHBondContact O-N 3.19Å; H643-S647 PolarHBondContact O-OG 3.44Å; R644-S647 PolarHBondContact O-OG 3.08Å; R645-S647 VanDerWaalsContact C-N 3.29Å; R645-S647 PolarHBondContact O-N 3.47Å; S647-G649 VanDerWaalsContact C-N 3.28Å
648	A	77.9	Confident	82.9	Confident	21 Å²	21	31.9 Å²	31.9	17%	0.174	19%	0.187	C	C	.	.	H	α-helix	trans	-80.2	-9.8	172.1	0	0	0	0	0	113.1	P603 K605 R644 R645 T646 L650	P603-A648 HydrophobicContact CG-CB 3.54Å; K605-A648 WeakPolarHBondContact CE-O 3.21Å; K605-A648 PolarHBondContact NZ-O 3.22Å; K605-A648 VanDerWaalsContact NZ-O 3.12Å; R644-A648 PolarHBondContact O-N 2.8Å; R645-A648 PolarHBondContact O-N 3.24Å; R645-A648 VanDerWaalsContact O-N 3.11Å; T646-A648 VanDerWaalsContact C-N 3.31Å; T646-A648 PolarHBondContact O-N 3.16Å; A648-L650 HydrophobicContact CB-CG 4.48Å
649	G	73.6	Confident	82.7	Confident	32 Å²	32	31.9 Å²	31.9	33%	0.33	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	80	24.8	-176.4	0	0	0	0	0	113.9	R645 T646 S647	R645-G649 PolarHBondContact O-N 2.72Å; R645-G649 VanDerWaalsContact O-N 3.17Å; T646-G649 PolarHBondContact O-N 2.88Å; T646-G649 VanDerWaalsContact O-N 3.1Å; S647-G649 VanDerWaalsContact C-N 3.28Å
650	L	80	Confident	82.5	Confident	36 Å²	36	35 Å²	35	19%	0.188	21%	0.207	C	C	.	.			trans	-96.6	155.8	173.2	-63.1	179.2	0	0	0	111.1	P603 K605 R645 A648	P603-L650 HydrophobicContact CB-CD1 3.58Å; P603-L650 HydrophobicContact CG-CD1 3.48Å; P603-L650 VanDerWaalsContact CG-CD1 3.48Å; P603-L650 HydrophobicContact CG-CG 4.47Å; K605-L650 HydrophobicContact CG-CD2 4.17Å; R645-L650 HydrophobicContact CB-CB 4.36Å; R645-L650 PolarHBondContact O-N 2.62Å; A648-L650 HydrophobicContact CB-CG 4.48Å
651	N	79.6	Confident	82.4	Confident	119 Å²	119	44.2 Å²	44.2	64%	0.636	24%	0.238	S	C	*	.			trans	-74.8	137.8	175.3	-70.2	-16.5	0	0	0	111.1
652	A	82.4	Confident	82.2	Confident	3 Å²	3	48.5 Å²	48.5	3%	0.025	26%	0.261	C	S	.	.			trans	-112.3	18.7	-176.6	0	0	0	0	0	113.7	I642 R645 T646 H654 L655 L656 L674	I642-A652 HydrophobicContact CB-CB 4.39Å; I642-A652 HydrophobicContact CG1-CB 4.29Å; I642-A652 HydrophobicContact CG2-CB 3.93Å; R645-A652 HydrophobicContact CB-CB 4.27Å; T646-A652 HydrophobicContact CG2-CB 4.11Å; A652-H654 VanDerWaalsContact C-N 3.3Å; A652-H654 PolarHBondContact O-N 3.49Å; A652-L655 PolarHBondContact O-N 3.25Å; A652-L656 PolarHBondContact O-N 3.23Å; A652-L656 VanDerWaalsContact O-N 3.14Å; A652-L674 HydrophobicContact CB-CD2 3.87Å
653	N	81.8	Confident	81.9	Confident	99 Å²	99	51.5 Å²	51.5	53%	0.529	29%	0.292	S	S	.	.	H	α-helix	trans	-62.9	-32.8	-176	-66.6	-10.1	0	0	0	113.1	L656 A657	N653-L656 WeakPolarHBondContact O-CB 3.39Å; N653-L656 PolarHBondContact O-N 3.22Å; N653-A657 WeakPolarHBondContact O-CB 3.32Å; N653-A657 PolarHBondContact O-N 3.25Å
654	H	82	Confident	81.8	Confident	45 Å²	45	49.3 Å²	49.3	21%	0.208	28%	0.283	C	S	.	.	H	α-helix	trans	-69.4	-40.4	177.3	-51	-53.7	0	0	0	112.5	D613 A652 L656 A657 D658	D613-H654 WeakPolarHBondContact CB-CE1 3.25Å; D613-H654 WeakPolarHBondContact CB-ND1 3.47Å; D613-H654 VanDerWaalsContact CG-NE2 3.32Å; D613-H654 IonicContact OD1-CD2 2.69Å; D613-H654 IonicContact OD1-CE1 2.77Å; D613-H654 PolarHBondContact OD1-CE1 3.09Å; D613-H654 IonicContact OD1-ND1 3.94Å; D613-H654 IonicContact OD1-NE2 3.63Å; D613-H654 PolarHBondContact OD1-NE2 3.09Å; D613-H654 IonicContact OD2-CE1 3.14Å; D613-H654 PolarHBondContact OD2-CE1 3.49Å; D613-H654 IonicContact OD2-ND1 3.89Å; D613-H654 IonicContact OD2-NE2 2.8Å; A652-H654 VanDerWaalsContact C-N 3.3Å; A652-H654 PolarHBondContact O-N 3.49Å; H654-L656 VanDerWaalsContact C-N 3.26Å; H654-L656 PolarHBondContact O-N 2.99Å; H654-A657 PolarHBondContact O-N 3.32Å; H654-D658 VanDerWaalsContact O-CB 3.29Å; H654-D658 WeakPolarHBondContact O-CB 3.44Å; H654-D658 PolarHBondContact O-N 2.75Å
655	L	84.9	Confident	81.5	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-63.6	-36.9	174.1	-70.8	170.5	0	0	0	110.8	F615 Y638 L641 I642 R645 A652 M659	F615-L655 HydrophobicContact CD1-CD2 4.2Å; F615-L655 HydrophobicContact CE1-CD2 3.89Å; Y638-L655 HydrophobicContact CD1-CD2 4.45Å; Y638-L655 HydrophobicContact CE1-CD2 4.49Å; L641-L655 HydrophobicContact CB-CD1 3.78Å; L641-L655 HydrophobicContact CB-CD2 4.15Å; L641-L655 HydrophobicContact CD1-CD2 4.01Å; I642-L655 HydrophobicContact CD1-CB 4.49Å; I642-L655 HydrophobicContact CG1-CB 3.82Å; I642-L655 HydrophobicContact CG1-CD1 4.07Å; R645-L655 HydrophobicContact CG-CD1 4.07Å; A652-L655 PolarHBondContact O-N 3.25Å; L655-M659 WeakPolarHBondContact O-CB 3.19Å; L655-M659 PolarHBondContact O-N 3.09Å
656	L	83.7	Confident	81.3	Confident	33 Å²	33	53.3 Å²	53.3	17%	0.173	31%	0.307	C	S	.	.	H	α-helix	trans	-66.7	-42.8	173.7	-172.5	68.1	0	0	0	111.8	A652 N653 H654 M659 T660 P666 T670 L674	A652-L656 PolarHBondContact O-N 3.23Å; A652-L656 VanDerWaalsContact O-N 3.14Å; N653-L656 WeakPolarHBondContact O-CB 3.39Å; N653-L656 PolarHBondContact O-N 3.22Å; H654-L656 VanDerWaalsContact C-N 3.26Å; H654-L656 PolarHBondContact O-N 2.99Å; L656-M659 PolarHBondContact O-N 3.18Å; L656-T660 WeakPolarHBondContact O-CG2 3.31Å; L656-T660 PolarHBondContact O-N 3.31Å; L656-T660 PolarHBondContact O-OG1 3.27Å; L656-P666 HydrophobicContact CD1-CB 4.08Å; L656-P666 HydrophobicContact CD1-CG 3.53Å; L656-T670 HydrophobicContact CD1-CG2 4.13Å; L656-L674 HydrophobicContact CD1-CD1 4.21Å; L656-L674 HydrophobicContact CD2-CD1 4.04Å
657	A	83.6	Confident	81.2	Confident	39 Å²	39	55.1 Å²	55.1	32%	0.322	32%	0.316	S	S	.	.	H	α-helix	trans	-67.3	-35.7	177.2	0	0	0	0	0	112.4	N653 H654 T660 R661	N653-A657 WeakPolarHBondContact O-CB 3.32Å; N653-A657 PolarHBondContact O-N 3.25Å; H654-A657 PolarHBondContact O-N 3.32Å; A657-T660 WeakPolarHBondContact CA-OG1 3.39Å; A657-T660 PolarHBondContact O-OG1 2.92Å; A657-R661 WeakPolarHBondContact O-CB 3.31Å; A657-R661 WeakPolarHBondContact O-CG 3.29Å; A657-R661 PolarHBondContact O-N 3.48Å
658	D	85	Confident	81.1	Confident	30 Å²	30	56.9 Å²	56.9	16%	0.16	32%	0.317	C	S	.	.	H	α-helix	trans	-71.4	-40.7	175.3	-169.4	56.3	0	0	0	111.6	F615 Y638 H654 T660 R661 N662	F615-D658 HydrophobicContact CE1-CB 4.49Å; F615-D658 HydrophobicContact CZ-CB 4.06Å; Y638-D658 HydrophobicContact CE1-CB 4.37Å; Y638-D658 PolarHBondContact OH-OD2 2.94Å; H654-D658 VanDerWaalsContact O-CB 3.29Å; H654-D658 WeakPolarHBondContact O-CB 3.44Å; H654-D658 PolarHBondContact O-N 2.75Å; D658-T660 PolarHBondContact O-N 3.19Å; D658-R661 WeakPolarHBondContact O-CB 3.48Å; D658-R661 PolarHBondContact O-N 3.2Å; D658-N662 PolarHBondContact O-N 2.88Å; D658-N662 PolarHBondContact O-ND2 3.07Å
659	M	84.9	Confident	81	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-56.8	-47.6	171.8	179.9	-178.4	-179.5	0	0	111.6	T635 Y638 L655 L656 N662 L664 I665 P666 T670	T635-M659 HydrophobicContact CG2-CE 3.79Å; Y638-M659 HydrophobicContact CD1-CB 4.01Å; Y638-M659 HydrophobicContact CD2-CB 4.01Å; Y638-M659 HydrophobicContact CD2-CG 3.95Å; Y638-M659 HydrophobicContact CE1-CB 4.22Å; Y638-M659 HydrophobicContact CE2-CB 4.19Å; Y638-M659 HydrophobicContact CE2-CG 4.43Å; Y638-M659 HydrophobicContact CG-CB 3.91Å; Y638-M659 HydrophobicContact CG-CG 4.06Å; Y638-M659 HydrophobicContact CG-SD 4.4Å; L655-M659 WeakPolarHBondContact O-CB 3.19Å; L655-M659 PolarHBondContact O-N 3.09Å; L656-M659 PolarHBondContact O-N 3.18Å; M659-N662 PolarHBondContact O-N 2.99Å; M659-L664 HydrophobicContact CE-CB 3.92Å; M659-L664 HydrophobicContact CG-CB 3.61Å; M659-L664 HydrophobicContact CG-CD1 4.15Å; M659-L664 WeakPolarHBondContact O-CB 3.06Å; M659-L664 PolarHBondContact O-N 3.41Å; M659-I665 WeakPolarHBondContact CE-O 3.14Å; M659-P666 HydrophobicContact SD-CG 4.46Å; M659-T670 HydrophobicContact SD-CG2 4.14Å
660	T	83.3	Confident	81.3	Confident	76 Å²	76	57.1 Å²	57.1	47%	0.466	31%	0.308	S	S	.	.	H	α-helix	trans	-70.4	-32.7	178.3	56.4	0	0	0	0	112.8	L656 A657 D658 N662 G663 P666	L656-T660 WeakPolarHBondContact O-CG2 3.31Å; L656-T660 PolarHBondContact O-N 3.31Å; L656-T660 PolarHBondContact O-OG1 3.27Å; A657-T660 WeakPolarHBondContact CA-OG1 3.39Å; A657-T660 PolarHBondContact O-OG1 2.92Å; D658-T660 PolarHBondContact O-N 3.19Å; T660-N662 VanDerWaalsContact C-N 3.32Å; T660-N662 PolarHBondContact O-N 3.25Å; T660-G663 PolarHBondContact O-N 3.47Å; T660-G663 VanDerWaalsContact O-N 3.11Å; T660-P666 HydrophobicContact CG2-CG 4.34Å
661	R	82.9	Confident	81.4	Confident	207 Å²	207	56.1 Å²	56.1	78%	0.781	30%	0.302	S	S	*	.	H	α-helix	trans	-62.6	-37	171.2	-78.9	170.8	-178.2	-172.9	1.6	112.5	A657 D658 G663	A657-R661 WeakPolarHBondContact O-CB 3.31Å; A657-R661 WeakPolarHBondContact O-CG 3.29Å; A657-R661 PolarHBondContact O-N 3.48Å; D658-R661 WeakPolarHBondContact O-CB 3.48Å; D658-R661 PolarHBondContact O-N 3.2Å; R661-G663 PolarHBondContact O-N 3.06Å
662	N	83.5	Confident	81.4	Confident	91 Å²	91	51 Å²	51	49%	0.487	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	9.8	174.6	-73	-30.5	0	0	0	113.5	Y638 D658 M659 T660 L664	Y638-N662 PolarHBondContact OH-ND2 3.31Å; D658-N662 PolarHBondContact O-N 2.88Å; D658-N662 PolarHBondContact O-ND2 3.07Å; M659-N662 PolarHBondContact O-N 2.99Å; T660-N662 VanDerWaalsContact C-N 3.32Å; T660-N662 PolarHBondContact O-N 3.25Å; N662-L664 VanDerWaalsContact C-N 3.28Å; N662-L664 PolarHBondContact O-N 3.27Å
663	G	79.6	Confident	81.3	Confident	64 Å²	64	51.7 Å²	51.7	66%	0.66	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	12	176.5	0	0	0	0	0	114.4	T660 R661	T660-G663 PolarHBondContact O-N 3.47Å; T660-G663 VanDerWaalsContact O-N 3.11Å; R661-G663 PolarHBondContact O-N 3.06Å
664	L	82.3	Confident	81.3	Confident	36 Å²	36	47.5 Å²	47.5	19%	0.188	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-89.8	135.8	179.6	-60	173.8	0	0	0	111	V633 T635 Y638 M659 N662	V633-L664 WeakPolarHBondContact O-CD1 3.39Å; T635-L664 HydrophobicContact CG2-CB 4.27Å; T635-L664 HydrophobicContact CG2-CD2 4.18Å; Y638-L664 HydrophobicContact CD2-CD1 3.52Å; Y638-L664 HydrophobicContact CE2-CD1 3.58Å; M659-L664 HydrophobicContact CE-CB 3.92Å; M659-L664 HydrophobicContact CG-CB 3.61Å; M659-L664 HydrophobicContact CG-CD1 4.15Å; M659-L664 WeakPolarHBondContact O-CB 3.06Å; M659-L664 PolarHBondContact O-N 3.41Å; N662-L664 VanDerWaalsContact C-N 3.28Å; N662-L664 PolarHBondContact O-N 3.27Å
665	I	77.6	Confident	81.3	Confident	99 Å²	99	45.4 Å²	45.4	51%	0.508	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-92.5	127.5	178.8	-55.9	169.6	0	0	0	109.3	M659 N667 L699	M659-I665 WeakPolarHBondContact CE-O 3.14Å; I665-N667 PolarHBondContact O-N 3.24Å; I665-L699 HydrophobicContact CD1-CD2 3.88Å
666	P	79.7	Confident	80.8	Confident	18 Å²	18	50.2 Å²	50.2	12%	0.117	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-58.9	121.9	173.9	-25.9	36.2	0	0	0	112	L656 M659 T660 T670 W671	L656-P666 HydrophobicContact CD1-CB 4.08Å; L656-P666 HydrophobicContact CD1-CG 3.53Å; M659-P666 HydrophobicContact SD-CG 4.46Å; T660-P666 HydrophobicContact CG2-CG 4.34Å; P666-T670 HydrophobicContact CB-CG2 3.94Å; P666-W671 HydrophobicContact CB-CZ2 4.11Å
667	N	79.3	Confident	80.3	Confident	45 Å²	45	49.7 Å²	49.7	24%	0.241	27%	0.27	C	S	.	.			trans	-90.9	175.3	177.3	69.8	5.2	0	0	0	111.4	N639 I665 I669 T670 W671	N639-N667 PolarHBondContact ND2-OD1 3.17Å; I665-N667 PolarHBondContact O-N 3.24Å; N667-I669 PolarHBondContact O-N 3.42Å; N667-I669 VanDerWaalsContact O-N 3.14Å; N667-I669 WeakPolarHBondContact OD1-CB 3.4Å; N667-I669 PolarHBondContact OD1-N 3.34Å; N667-T670 PolarHBondContact N-OG1 3.46Å; N667-T670 VanDerWaalsContact N-OG1 3.12Å; N667-T670 VanDerWaalsContact O-CB 3.28Å; N667-T670 WeakPolarHBondContact O-CB 3.5Å; N667-T670 PolarHBondContact O-N 2.73Å; N667-T670 PolarHBondContact OD1-N 3.06Å; N667-T670 PolarHBondContact OD1-OG1 3.45Å; N667-W671 PolarHBondContact O-N 3.32Å
668	Q	74.9	Confident	80	Confident	101 Å²	101	48.4 Å²	48.4	47%	0.472	26%	0.258	S	S	.	.	H	α-helix	trans	-56.2	-32.5	179.9	-65.3	-177.2	1.3	0	0	113	W671 G672	Q668-W671 PolarHBondContact O-N 3.15Å; Q668-G672 PolarHBondContact O-N 2.8Å
669	I	77.1	Confident	79.6	Confident	59 Å²	59	51 Å²	51	30%	0.303	27%	0.269	S	S	.	.	H	α-helix	trans	-68	-43.6	176.6	-59.2	168.8	0	0	0	110.2	D102 N639 N667 W671 G672 C673	D102-I669 HydrophobicContact CB-CD1 3.99Å; N639-I669 HydrophobicContact CB-CG2 4.45Å; N667-I669 PolarHBondContact O-N 3.42Å; N667-I669 VanDerWaalsContact O-N 3.14Å; N667-I669 WeakPolarHBondContact OD1-CB 3.4Å; N667-I669 PolarHBondContact OD1-N 3.34Å; I669-W671 VanDerWaalsContact C-N 3.29Å; I669-W671 PolarHBondContact O-N 3.14Å; I669-G672 CarbonylContact O-C 3.49Å; I669-G672 PolarHBondContact O-N 3.12Å; I669-G672 VanDerWaalsContact O-N 3.11Å; I669-C673 PolarHBondContact O-N 3.47Å; I669-C673 PolarHBondContact O-SG 3.45Å; I669-C673 VanDerWaalsContact O-SG 3.33Å
670	T	80.1	Confident	79.3	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-53	-49.1	174.6	-46.9	0	0	0	0	110.8	N639 I642 L656 M659 P666 N667 G672 C673 L674	N639-T670 PolarHBondContact ND2-OG1 3.27Å; N639-T670 WeakPolarHBondContact OD1-CA 3.27Å; N639-T670 WeakPolarHBondContact OD1-CB 2.98Å; N639-T670 WeakPolarHBondContact OD1-CG2 3.28Å; N639-T670 PolarHBondContact OD1-OG1 3.42Å; I642-T670 HydrophobicContact CD1-CG2 3.73Å; L656-T670 HydrophobicContact CD1-CG2 4.13Å; M659-T670 HydrophobicContact SD-CG2 4.14Å; P666-T670 HydrophobicContact CB-CG2 3.94Å; N667-T670 PolarHBondContact N-OG1 3.46Å; N667-T670 VanDerWaalsContact N-OG1 3.12Å; N667-T670 VanDerWaalsContact O-CB 3.28Å; N667-T670 WeakPolarHBondContact O-CB 3.5Å; N667-T670 PolarHBondContact O-N 2.73Å; N667-T670 PolarHBondContact OD1-N 3.06Å; N667-T670 PolarHBondContact OD1-OG1 3.45Å; T670-G672 PolarHBondContact O-N 2.95Å; T670-C673 PolarHBondContact O-N 2.95Å; T670-L674 HydrophobicContact CG2-CD1 4.4Å; T670-L674 WeakPolarHBondContact O-CG 3.24Å; T670-L674 PolarHBondContact O-N 2.89Å
671	W	82.1	Confident	79	Confident	15 Å²	15	53.5 Å²	53.5	6%	0.057	28%	0.279	C	S	.	.	H	α-helix	trans	-65.1	-39.1	178.4	-65.5	107.8	0	0	0	112.6	P666 N667 Q668 I669 L674 A675 L687 G690 F691 A694 F726	P666-W671 HydrophobicContact CB-CZ2 4.11Å; N667-W671 PolarHBondContact O-N 3.32Å; Q668-W671 PolarHBondContact O-N 3.15Å; I669-W671 VanDerWaalsContact C-N 3.29Å; I669-W671 PolarHBondContact O-N 3.14Å; W671-L674 HydrophobicContact CE3-CD1 4.12Å; W671-L674 HydrophobicContact CZ3-CD1 4.32Å; W671-L674 PolarHBondContact O-N 2.74Å; W671-A675 WeakPolarHBondContact O-CB 3.41Å; W671-A675 PolarHBondContact O-N 3.45Å; W671-L687 HydrophobicContact CE3-CD1 3.63Å; W671-L687 HydrophobicContact CE3-CG 4Å; W671-L687 HydrophobicContact CZ3-CD1 3.68Å; W671-L687 HydrophobicContact CZ3-CG 4.24Å; W671-G690 WeakPolarHBondContact CH2-O 3.29Å; W671-F691 HydrophobicContact CB-CD2 4.11Å; W671-F691 HydrophobicContact CB-CE2 4.44Å; W671-F691 AromaticContact CD1-CD2 3.41Å; W671-F691 VanDerWaalsContact CD1-CD2 3.41Å; W671-F691 AromaticContact CD1-CE2 3.64Å; W671-F691 HydrophobicContact CD2-CB 4.19Å; W671-F691 AromaticContact CD2-CD2 3.67Å; W671-F691 HydrophobicContact CD2-CD2 3.67Å; W671-F691 HydrophobicContact CD2-CG 4.44Å; W671-F691 AromaticContact CE2-CD2 3.79Å; W671-F691 HydrophobicContact CE3-CB 4.15Å; W671-F691 HydrophobicContact CE3-CD2 4.4Å; W671-F691 AromaticContact CG-CD2 3.47Å; W671-F691 HydrophobicContact CG-CD2 3.47Å; W671-F691 VanDerWaalsContact CG-CD2 3.47Å; W671-F691 AromaticContact CG-CE2 3.99Å; W671-F691 HydrophobicContact CG-CE2 3.99Å; W671-F691 HydrophobicContact CZ3-CB 4.31Å; W671-F691 AromaticContact NE1-CD2 3.6Å; W671-A694 HydrophobicContact CZ2-CB 3.62Å; W671-F726 HydrophobicContact CB-CD2 4.18Å; W671-F726 HydrophobicContact CB-CE2 4.27Å; W671-F726 WeakPolarHBondContact O-CD2 3.31Å
672	G	78.2	Confident	78.8	Confident	12 Å²	12	49.1 Å²	49.1	12%	0.124	27%	0.267	C	S	.	.	H	α-helix	trans	-62.6	-39.5	172.4	0	0	0	0	0	113.3	Q668 I669 T670 A675 R676	Q668-G672 PolarHBondContact O-N 2.8Å; I669-G672 CarbonylContact O-C 3.49Å; I669-G672 PolarHBondContact O-N 3.12Å; I669-G672 VanDerWaalsContact O-N 3.11Å; T670-G672 PolarHBondContact O-N 2.95Å; G672-A675 WeakPolarHBondContact O-CB 3.45Å; G672-A675 PolarHBondContact O-N 3.15Å; G672-R676 PolarHBondContact O-N 3.13Å
673	C	80.6	Confident	78.6	Confident	17 Å²	17	46 Å²	46	12%	0.115	25%	0.253	C	S	.	.	H	α-helix	trans	-66.4	-38.2	175	-67.8	0	0	0	0	112.1	I642 H643 T646 I669 T670 R676	I642-C673 HydrophobicContact CG2-CB 3.87Å; H643-C673 HydrophobicContact CB-CB 4.4Å; T646-C673 WeakPolarHBondContact CB-O 3.21Å; T646-C673 WeakPolarHBondContact CG2-O 3.27Å; T646-C673 PolarHBondContact OG1-O 3.45Å; I669-C673 PolarHBondContact O-N 3.47Å; I669-C673 PolarHBondContact O-SG 3.45Å; I669-C673 VanDerWaalsContact O-SG 3.33Å; T670-C673 PolarHBondContact O-N 2.95Å; C673-R676 WeakPolarHBondContact O-CB 3.43Å
674	L	82.9	Confident	78.7	Confident	11 Å²	11	43 Å²	43	6%	0.058	22%	0.221	C	C	.	.	H	α-helix	trans	-68	-39	174.6	-70.4	171.7	0	0	0	112.3	I642 A652 L656 T670 W671 R676 G677 L687	I642-L674 HydrophobicContact CG2-CD2 3.6Å; I642-L674 HydrophobicContact CG2-CG 3.93Å; A652-L674 HydrophobicContact CB-CD2 3.87Å; L656-L674 HydrophobicContact CD1-CD1 4.21Å; L656-L674 HydrophobicContact CD2-CD1 4.04Å; T670-L674 HydrophobicContact CG2-CD1 4.4Å; T670-L674 WeakPolarHBondContact O-CG 3.24Å; T670-L674 PolarHBondContact O-N 2.89Å; W671-L674 HydrophobicContact CE3-CD1 4.12Å; W671-L674 HydrophobicContact CZ3-CD1 4.32Å; W671-L674 PolarHBondContact O-N 2.74Å; L674-R676 PolarHBondContact O-N 3Å; L674-G677 PolarHBondContact O-N 2.7Å; L674-L687 HydrophobicContact CB-CD1 3.62Å; L674-L687 HydrophobicContact CB-CD2 4.29Å; L674-L687 HydrophobicContact CD1-CD1 4.01Å; L674-L687 HydrophobicContact CG-CD1 4.43Å
675	A	80.6	Confident	78.7	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-57.3	-32.2	179	0	0	0	0	0	113	W671 G672 G677 C678 L687 F726 I730	W671-A675 WeakPolarHBondContact O-CB 3.41Å; W671-A675 PolarHBondContact O-N 3.45Å; G672-A675 WeakPolarHBondContact O-CB 3.45Å; G672-A675 PolarHBondContact O-N 3.15Å; A675-G677 PolarHBondContact O-N 3.13Å; A675-C678 WeakPolarHBondContact O-CB 3.18Å; A675-C678 PolarHBondContact O-N 2.7Å; A675-L687 HydrophobicContact CB-CD2 3.91Å; A675-F726 HydrophobicContact CB-CD2 3.66Å; A675-F726 HydrophobicContact CB-CE2 3.58Å; A675-F726 HydrophobicContact CB-CG 4.29Å; A675-F726 HydrophobicContact CB-CZ 4.14Å; A675-I730 HydrophobicContact CB-CD1 3.96Å; A675-I730 HydrophobicContact CB-CG1 3.66Å
676	R	75.4	Confident	78.8	Confident	102 Å²	102	47.3 Å²	47.3	39%	0.385	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-31.1	174.5	-176.9	169.1	-170.5	82.8	3.5	113.3	G672 C673 L674 T733	G672-R676 PolarHBondContact O-N 3.13Å; C673-R676 WeakPolarHBondContact O-CB 3.43Å; L674-R676 PolarHBondContact O-N 3Å; R676-T733 HydrophobicContact CB-CG2 4.48Å; R676-T733 HydrophobicContact CG-CG2 3.83Å
677	G	73.7	Confident	78.9	Confident	22 Å²	22	47.3 Å²	47.3	23%	0.227	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-14.6	179.2	0	0	0	0	0	114	L674 A675 Q679	L674-G677 PolarHBondContact O-N 2.7Å; A675-G677 PolarHBondContact O-N 3.13Å; G677-Q679 PolarHBondContact O-N 2.79Å
678	C	77.5	Confident	78.9	Confident	11 Å²	11	45.5 Å²	45.5	7%	0.074	23%	0.226	C	C	.	.			trans	-73.1	114	179.9	-65.6	0	0	0	0	111.1	A675 V684	A675-C678 WeakPolarHBondContact O-CB 3.18Å; A675-C678 PolarHBondContact O-N 2.7Å; C678-V684 HydrophobicContact CB-CG2 3.63Å
679	Q	74.6	Confident	79	Confident	84 Å²	84	48.8 Å²	48.8	39%	0.393	23%	0.234	S	C	.	.			trans	-106.8	-6.1	177.9	-64.2	178.8	15.8	0	0	113.1	G677 Y825	G677-Q679 PolarHBondContact O-N 2.79Å; Q679-Y825 PolarHBondContact O-OH 3.38Å
680	T	78.6	Confident	79	Confident	58 Å²	58	47.3 Å²	47.3	36%	0.356	23%	0.233	S	C	.	.	S	Bend	trans	-133.9	158.4	-173.3	64.9	0	0	0	0	111.9	E682 S683 V684	T680-E682 VanDerWaalsContact C-N 3.31Å; T680-E682 PolarHBondContact O-N 3.19Å; T680-S683 PolarHBondContact N-OG 3.13Å; T680-S683 PolarHBondContact O-N 3.26Å; T680-S683 PolarHBondContact O-OG 2.77Å; T680-S683 WeakPolarHBondContact OG1-CB 3.49Å; T680-S683 PolarHBondContact OG1-N 3.45Å; T680-S683 VanDerWaalsContact OG1-N 3.15Å; T680-S683 PolarHBondContact OG1-OG 3.21Å; T680-V684 PolarHBondContact O-N 3.46Å; T680-V684 VanDerWaalsContact O-N 3.15Å
681	K	77.6	Confident	78.8	Confident	71 Å²	71	47.9 Å²	47.9	31%	0.309	24%	0.236	S	C	.	.	H	α-helix	trans	-63.2	-36.7	175.6	-173.7	-179.3	-178.2	179.3	0	112.4	K685 F743	K681-K685 WeakPolarHBondContact O-CG 3.02Å; K681-K685 PolarHBondContact O-N 2.79Å; K681-F743 HydrophobicContact CD-CG 4.49Å; K681-F743 HydrophobicContact CG-CD1 4.21Å; K681-F743 HydrophobicContact CG-CD2 4.47Å; K681-F743 HydrophobicContact CG-CG 4.15Å
682	E	78.8	Confident	78.3	Confident	115 Å²	115	51.4 Å²	51.4	54%	0.537	25%	0.253	S	S	.	.	H	α-helix	trans	-65.3	-43.9	177	-66	70.1	-144.3	0	0	111.2	T680 V684 K685 Q686	T680-E682 VanDerWaalsContact C-N 3.31Å; T680-E682 PolarHBondContact O-N 3.19Å; E682-V684 VanDerWaalsContact C-N 3.35Å; E682-V684 PolarHBondContact O-N 3.1Å; E682-K685 PolarHBondContact O-N 3.44Å; E682-Q686 WeakPolarHBondContact O-CG 2.95Å; E682-Q686 PolarHBondContact O-N 3.1Å
683	S	80.6	Confident	78	Confident	26 Å²	26	55.2 Å²	55.2	18%	0.182	27%	0.274	C	S	.	.	H	α-helix	trans	-63.9	-39.7	178.7	60.6	0	0	0	0	111.8	T680 Q686 L687	T680-S683 PolarHBondContact N-OG 3.13Å; T680-S683 PolarHBondContact O-N 3.26Å; T680-S683 PolarHBondContact O-OG 2.77Å; T680-S683 WeakPolarHBondContact OG1-CB 3.49Å; T680-S683 PolarHBondContact OG1-N 3.45Å; T680-S683 VanDerWaalsContact OG1-N 3.15Å; T680-S683 PolarHBondContact OG1-OG 3.21Å; S683-Q686 PolarHBondContact O-N 2.87Å; S683-L687 WeakPolarHBondContact O-CB 3.44Å; S683-L687 PolarHBondContact O-N 2.73Å
684	V	81	Confident	77.5	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.006	28%	0.279	C	S	.	.	H	α-helix	trans	-64.4	-41	173.7	174.8	0	0	0	0	111.8	C678 T680 E682 L687 L688 I730 L740 F743	C678-V684 HydrophobicContact CB-CG2 3.63Å; T680-V684 PolarHBondContact O-N 3.46Å; T680-V684 VanDerWaalsContact O-N 3.15Å; E682-V684 VanDerWaalsContact C-N 3.35Å; E682-V684 PolarHBondContact O-N 3.1Å; V684-L687 PolarHBondContact O-N 2.82Å; V684-L688 HydrophobicContact CG1-CD1 4.02Å; V684-L688 HydrophobicContact CG1-CG 4.34Å; V684-L688 WeakPolarHBondContact O-CB 3.49Å; V684-L688 VanDerWaalsContact O-CG 3.31Å; V684-L688 WeakPolarHBondContact O-CG 3.47Å; V684-L688 PolarHBondContact O-N 3.14Å; V684-I730 HydrophobicContact CG1-CD1 4.34Å; V684-I730 HydrophobicContact CG2-CD1 4.27Å; V684-I730 HydrophobicContact CG2-CG2 4.35Å; V684-L740 HydrophobicContact CB-CD1 4.29Å; V684-L740 HydrophobicContact CG2-CD1 3.67Å; V684-F743 HydrophobicContact CG1-CD1 4.45Å; V684-F743 HydrophobicContact CG1-CE1 3.98Å
685	K	81.4	Confident	76.8	Confident	89 Å²	89	56.8 Å²	56.8	39%	0.387	29%	0.289	S	S	.	.	H	α-helix	trans	-63.7	-41.3	175.3	-75.3	176.2	176.9	-179.6	0	112.3	K681 E682 L687 L688 R689 F743	K681-K685 WeakPolarHBondContact O-CG 3.02Å; K681-K685 PolarHBondContact O-N 2.79Å; E682-K685 PolarHBondContact O-N 3.44Å; K685-L687 VanDerWaalsContact C-N 3.33Å; K685-L688 PolarHBondContact O-N 2.86Å; K685-R689 VanDerWaalsContact O-CG 3.31Å; K685-R689 WeakPolarHBondContact O-CG 3.49Å; K685-R689 PolarHBondContact O-N 3.32Å; K685-F743 HydrophobicContact CG-CE1 4.29Å; K685-F743 HydrophobicContact CG-CZ 3.87Å
686	Q	80	Confident	75.9	Confident	136 Å²	136	61.5 Å²	61.5	64%	0.636	32%	0.318	S	S	*	.	H	α-helix	trans	-63.5	-41.7	175.5	-73.7	174.2	-7.4	0	0	111	E682 S683 R689 G690	E682-Q686 WeakPolarHBondContact O-CG 2.95Å; E682-Q686 PolarHBondContact O-N 3.1Å; S683-Q686 PolarHBondContact O-N 2.87Å; Q686-R689 PolarHBondContact O-N 3.08Å; Q686-G690 PolarHBondContact O-N 3.12Å
687	L	81.9	Confident	75.2	Confident	18 Å²	18	60.6 Å²	60.6	9%	0.094	32%	0.324	C	S	.	.	H	α-helix	trans	-64.3	-43.3	176.8	-166.9	71.7	0	0	0	112	W671 L674 A675 S683 V684 K685 G690 F691 F726	W671-L687 HydrophobicContact CE3-CD1 3.63Å; W671-L687 HydrophobicContact CE3-CG 4Å; W671-L687 HydrophobicContact CZ3-CD1 3.68Å; W671-L687 HydrophobicContact CZ3-CG 4.24Å; L674-L687 HydrophobicContact CB-CD1 3.62Å; L674-L687 HydrophobicContact CB-CD2 4.29Å; L674-L687 HydrophobicContact CD1-CD1 4.01Å; L674-L687 HydrophobicContact CG-CD1 4.43Å; A675-L687 HydrophobicContact CB-CD2 3.91Å; S683-L687 WeakPolarHBondContact O-CB 3.44Å; S683-L687 PolarHBondContact O-N 2.73Å; V684-L687 PolarHBondContact O-N 2.82Å; K685-L687 VanDerWaalsContact C-N 3.33Å; L687-G690 PolarHBondContact O-N 3.47Å; L687-F691 WeakPolarHBondContact O-CB 3.28Å; L687-F691 PolarHBondContact O-N 2.79Å; L687-F726 HydrophobicContact CD2-CE2 3.48Å; L687-F726 VanDerWaalsContact CD2-CE2 3.48Å; L687-F726 HydrophobicContact CD2-CZ 3.64Å; L687-F726 HydrophobicContact CG-CE2 4.19Å; L687-F726 HydrophobicContact CG-CZ 4.28Å
688	L	80.1	Confident	74	Confident	8 Å²	8	65.1 Å²	65.1	4%	0.042	35%	0.35	C	S	.	.	H	α-helix	trans	-63.9	-41.2	175.5	-72.2	171.6	0	0	0	112	V684 K685 G690 F691 E692 P722 F726 Y747	V684-L688 HydrophobicContact CG1-CD1 4.02Å; V684-L688 HydrophobicContact CG1-CG 4.34Å; V684-L688 WeakPolarHBondContact O-CB 3.49Å; V684-L688 VanDerWaalsContact O-CG 3.31Å; V684-L688 WeakPolarHBondContact O-CG 3.47Å; V684-L688 PolarHBondContact O-N 3.14Å; K685-L688 PolarHBondContact O-N 2.86Å; L688-G690 VanDerWaalsContact C-N 3.35Å; L688-F691 WeakPolarHBondContact O-CB 3.43Å; L688-F691 PolarHBondContact O-N 3.42Å; L688-E692 WeakPolarHBondContact O-CG 3.31Å; L688-E692 PolarHBondContact O-N 3.38Å; L688-P722 HydrophobicContact CD2-CG 3.78Å; L688-F726 HydrophobicContact CD2-CE1 4Å; L688-F726 HydrophobicContact CD2-CZ 4.15Å; L688-Y747 HydrophobicContact CD1-CD1 4.47Å; L688-Y747 HydrophobicContact CD1-CD2 4.14Å; L688-Y747 HydrophobicContact CD1-CE1 4.23Å; L688-Y747 HydrophobicContact CD1-CE2 3.86Å; L688-Y747 HydrophobicContact CD1-CG 4.43Å; L688-Y747 HydrophobicContact CD2-CE1 4.14Å
689	R	77.2	Confident	72.4	Confident	170 Å²	170	70.9 Å²	70.9	64%	0.642	38%	0.379	S	S	*	.	H	α-helix	trans	-62.6	-42.5	172.8	-74.1	175.2	-179.5	-175.9	-1.6	111.7	K685 Q686 F691 E692 V693	K685-R689 VanDerWaalsContact O-CG 3.31Å; K685-R689 WeakPolarHBondContact O-CG 3.49Å; K685-R689 PolarHBondContact O-N 3.32Å; Q686-R689 PolarHBondContact O-N 3.08Å; R689-F691 VanDerWaalsContact C-N 3.3Å; R689-F691 PolarHBondContact O-N 3.38Å; R689-E692 PolarHBondContact O-N 2.84Å; R689-V693 VanDerWaalsContact O-CG2 3.29Å; R689-V693 WeakPolarHBondContact O-CG2 3.24Å; R689-V693 PolarHBondContact O-N 3.36Å
690	G	75.2	Confident	70.6	Confident	27 Å²	27	71.6 Å²	71.6	28%	0.278	39%	0.393	S	S	.	.	H	α-helix	trans	-60.5	-41.1	174.8	0	0	0	0	0	112.1	W671 Q686 L687 L688 V693 A694	W671-G690 WeakPolarHBondContact CH2-O 3.29Å; Q686-G690 PolarHBondContact O-N 3.12Å; L687-G690 PolarHBondContact O-N 3.47Å; L688-G690 VanDerWaalsContact C-N 3.35Å; G690-V693 PolarHBondContact O-N 2.8Å; G690-A694 WeakPolarHBondContact O-CB 3.46Å; G690-A694 PolarHBondContact O-N 3.11Å
691	F	76.8	Confident	68.7	Low	12 Å²	12	73.7 Å²	73.7	5%	0.053	41%	0.41	C	S	.	.	H	α-helix	trans	-63.9	-45.9	175.6	-176.6	-98.9	0	0	0	112.1	W671 L687 L688 R689 V693 A694 A695 I720 P722	W671-F691 HydrophobicContact CB-CD2 4.11Å; W671-F691 HydrophobicContact CB-CE2 4.44Å; W671-F691 AromaticContact CD1-CD2 3.41Å; W671-F691 VanDerWaalsContact CD1-CD2 3.41Å; W671-F691 AromaticContact CD1-CE2 3.64Å; W671-F691 HydrophobicContact CD2-CB 4.19Å; W671-F691 AromaticContact CD2-CD2 3.67Å; W671-F691 HydrophobicContact CD2-CD2 3.67Å; W671-F691 HydrophobicContact CD2-CG 4.44Å; W671-F691 AromaticContact CE2-CD2 3.79Å; W671-F691 HydrophobicContact CE3-CB 4.15Å; W671-F691 HydrophobicContact CE3-CD2 4.4Å; W671-F691 AromaticContact CG-CD2 3.47Å; W671-F691 HydrophobicContact CG-CD2 3.47Å; W671-F691 VanDerWaalsContact CG-CD2 3.47Å; W671-F691 AromaticContact CG-CE2 3.99Å; W671-F691 HydrophobicContact CG-CE2 3.99Å; W671-F691 HydrophobicContact CZ3-CB 4.31Å; W671-F691 AromaticContact NE1-CD2 3.6Å; L687-F691 WeakPolarHBondContact O-CB 3.28Å; L687-F691 PolarHBondContact O-N 2.79Å; L688-F691 WeakPolarHBondContact O-CB 3.43Å; L688-F691 PolarHBondContact O-N 3.42Å; R689-F691 VanDerWaalsContact C-N 3.3Å; R689-F691 PolarHBondContact O-N 3.38Å; F691-V693 VanDerWaalsContact C-N 3.34Å; F691-V693 PolarHBondContact O-N 3Å; F691-A694 PolarHBondContact O-N 3.3Å; F691-A695 VanDerWaalsContact O-CB 3.26Å; F691-A695 WeakPolarHBondContact O-CB 3.01Å; F691-A695 PolarHBondContact O-N 3.47Å; F691-I720 HydrophobicContact CE1-CB 4.3Å; F691-I720 HydrophobicContact CE1-CG2 3.92Å; F691-I720 WeakPolarHBondContact CE1-O 3.13Å; F691-I720 HydrophobicContact CZ-CG2 3.82Å; F691-P722 HydrophobicContact CD1-CG 3.77Å; F691-P722 HydrophobicContact CE1-CB 4.32Å; F691-P722 HydrophobicContact CE1-CG 3.72Å; F691-P722 HydrophobicContact CG-CG 4.34Å; F691-P722 HydrophobicContact CZ-CB 4.4Å; F691-P722 HydrophobicContact CZ-CG 4.28Å
692	E	71.4	Confident	66.8	Low	90 Å²	90	74.9 Å²	74.9	42%	0.421	43%	0.428	S	S	.	.	H	α-helix	trans	-61.7	-40.2	176.4	-73.8	168.7	-171.7	0	0	111.8	L688 R689 A695 T696	L688-E692 WeakPolarHBondContact O-CG 3.31Å; L688-E692 PolarHBondContact O-N 3.38Å; R689-E692 PolarHBondContact O-N 2.84Å; E692-A695 PolarHBondContact O-N 2.82Å; E692-T696 WeakPolarHBondContact O-CG2 3.45Å; E692-T696 PolarHBondContact O-N 3.24Å; E692-T696 VanDerWaalsContact O-N 3.09Å; E692-T696 PolarHBondContact O-OG1 2.92Å
693	V	73.1	Confident	64.6	Low	92 Å²	92	75.5 Å²	75.5	56%	0.558	44%	0.435	S	S	*	.	H	α-helix	trans	-66.1	-45.2	175.2	172.9	0	0	0	0	111.1	R689 G690 F691 A695 T696 T697	R689-V693 VanDerWaalsContact O-CG2 3.29Å; R689-V693 WeakPolarHBondContact O-CG2 3.24Å; R689-V693 PolarHBondContact O-N 3.36Å; G690-V693 PolarHBondContact O-N 2.8Å; F691-V693 VanDerWaalsContact C-N 3.34Å; F691-V693 PolarHBondContact O-N 3Å; V693-A695 VanDerWaalsContact C-N 3.29Å; V693-A695 PolarHBondContact O-N 3.17Å; V693-T696 WeakPolarHBondContact CA-OG1 3.16Å; V693-T696 PolarHBondContact O-N 3.49Å; V693-T696 VanDerWaalsContact O-N 3.16Å; V693-T696 PolarHBondContact O-OG1 3.1Å; V693-T697 PolarHBondContact O-N 3.41Å
694	A	70.2	Confident	62.4	Low	27 Å²	27	81.1 Å²	81.1	22%	0.223	46%	0.462	C	S	.	.	H	α-helix	trans	-68.1	-28	177.5	0	0	0	0	0	113.2	W671 G690 F691 T696 T697	W671-A694 HydrophobicContact CZ2-CB 3.62Å; G690-A694 WeakPolarHBondContact O-CB 3.46Å; G690-A694 PolarHBondContact O-N 3.11Å; F691-A694 PolarHBondContact O-N 3.3Å; A694-T696 VanDerWaalsContact C-N 3.33Å; A694-T697 PolarHBondContact O-OG1 3.19Å
695	A	67.2	Low	60.2	Low	33 Å²	33	90.2 Å²	90.2	27%	0.273	50%	0.504	S	S	.	.	H	α-helix	trans	-71.8	-28.8	172.6	0	0	0	0	0	112.7	F691 E692 V693 I720	F691-A695 VanDerWaalsContact O-CB 3.26Å; F691-A695 WeakPolarHBondContact O-CB 3.01Å; F691-A695 PolarHBondContact O-N 3.47Å; E692-A695 PolarHBondContact O-N 2.82Å; V693-A695 VanDerWaalsContact C-N 3.29Å; V693-A695 PolarHBondContact O-N 3.17Å; A695-I720 HydrophobicContact CB-CB 3.8Å; A695-I720 HydrophobicContact CB-CD1 3.64Å; A695-I720 HydrophobicContact CB-CG1 3.85Å
696	T	62.3	Low	58	Low	100 Å²	100	89.9 Å²	89.9	61%	0.613	52%	0.518	S	S	*	.	H	α-helix	trans	-93.7	-14.7	-178.8	49.7	0	0	0	0	113.4	E692 V693 A694 P698	E692-T696 WeakPolarHBondContact O-CG2 3.45Å; E692-T696 PolarHBondContact O-N 3.24Å; E692-T696 VanDerWaalsContact O-N 3.09Å; E692-T696 PolarHBondContact O-OG1 2.92Å; V693-T696 WeakPolarHBondContact CA-OG1 3.16Å; V693-T696 PolarHBondContact O-N 3.49Å; V693-T696 VanDerWaalsContact O-N 3.16Å; V693-T696 PolarHBondContact O-OG1 3.1Å; A694-T696 VanDerWaalsContact C-N 3.33Å; T696-P698 WeakPolarHBondContact O-CD 3.39Å; T696-P698 VanDerWaalsContact O-N 3.15Å
697	T	59.2	Low	55.6	Low	82 Å²	82	89.9 Å²	89.9	50%	0.503	52%	0.522	S	S	.	.	S	Bend	trans	-61.9	114.2	171.9	39.7	0	0	0	0	109.9	V693 A694 L699	V693-T697 PolarHBondContact O-N 3.41Å; A694-T697 PolarHBondContact O-OG1 3.19Å; T697-L699 PolarHBondContact O-N 2.86Å
698	P	49.5	Very low	53	Low	118 Å²	118	95 Å²	95	77%	0.766	56%	0.56	S	S	*	*			trans	-65.6	128.7	179.9	25.2	-30.9	0	0	0	109.5	T696 S700	T696-P698 WeakPolarHBondContact O-CD 3.39Å; T696-P698 VanDerWaalsContact O-N 3.15Å; P698-S700 PolarHBondContact O-N 3.42Å; P698-S700 VanDerWaalsContact O-N 3.14Å
699	L	42.9	Very low	50.8	Low	131 Å²	131	101 Å²	101	69%	0.686	59%	0.591	S	S	*	*			trans	-47.3	120.1	168.5	-67.2	160.1	0	0	0	108.2	I665 T697 S701	I665-L699 HydrophobicContact CD1-CD2 3.88Å; T697-L699 PolarHBondContact O-N 2.86Å; L699-S701 PolarHBondContact O-N 3.01Å
700	S	37.9	Very low	48.4	Very low	99 Å²	99	97.5 Å²	97.5	69%	0.692	59%	0.592	S	S	*	*			trans	-57.6	107.3	-173	50.6	0	0	0	0	112	P698 S702	P698-S700 PolarHBondContact O-N 3.42Å; P698-S700 VanDerWaalsContact O-N 3.14Å; S700-S702 VanDerWaalsContact C-N 3.28Å; S700-S702 PolarHBondContact O-N 3.38Å
701	S	39	Very low	46.3	Very low	103 Å²	103	108.5 Å²	108.5	72%	0.72	63%	0.625	S	S	*	*	S	Bend	trans	35.5	-9.4	152.1	60.3	0	0	0	0	124.1	L699	L699-S701 PolarHBondContact O-N 3.01Å
702	S	37.5	Very low	44	Very low	96 Å²	96	116.8 Å²	116.8	67%	0.671	66%	0.664	S	S	*	*	S	Bend	trans	-81.3	-21.3	178.2	61.3	0	0	0	0	114	S700	S700-S702 VanDerWaalsContact C-N 3.28Å; S700-S702 PolarHBondContact O-N 3.38Å
703	D	32.8	Very low	42	Very low	128 Å²	128	120.4 Å²	120.4	68%	0.684	68%	0.681	S	S	*	*	S	Bend	trans	-101.6	2.6	-174.1	-63.8	-8.7	0	0	0	113.5
704	L	34.9	Very low	39.8	Very low	143 Å²	143	123.2 Å²	123.2	75%	0.749	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	4.3	-176.6	-78.9	173.8	0	0	0	115.2
705	E	33.1	Very low	37.8	Very low	193 Å²	193	128.8 Å²	128.8	90%	0.902	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	-8.4	174.6	-69.5	-164.2	163	0	0	114.5
706	A	35.2	Very low	36	Very low	81 Å²	81	134.1 Å²	134.1	67%	0.669	74%	0.743	S	S	*	*	S	Bend	trans	-94.6	-9.3	-173.1	0	0	0	0	0	116.3
707	N	29.7	Very low	34.8	Very low	136 Å²	136	132.7 Å²	132.7	73%	0.727	74%	0.737	S	S	*	*			trans	-136.9	82.7	-175.9	-77.3	-44.8	0	0	0	113.2	I709	N707-I709 PolarHBondContact O-N 3.5Å
708	S	29	Very low	33.8	Very low	126 Å²	126	136.3 Å²	136.3	88%	0.881	75%	0.752	S	S	*	*			trans	-69.8	78.7	161.5	59	0	0	0	0	110.5
709	I	32	Very low	33.6	Very low	135 Å²	135	135.1 Å²	135.1	69%	0.692	74%	0.739	S	S	*	*			trans	-120.7	112.4	165.4	-59.3	176.4	0	0	0	108.1	N707	N707-I709 PolarHBondContact O-N 3.5Å
710	S	27.9	Very low	34.2	Very low	96 Å²	96	132.4 Å²	132.4	67%	0.671	72%	0.724	S	S	*	*			trans	1	113.6	166.7	43.5	0	0	0	0	117.4	E712	S710-E712 PolarHBondContact O-N 2.99Å
711	R	31.8	Very low	35.4	Very low	257 Å²	257	130.6 Å²	130.6	97%	0.97	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.3	13.9	-177.5	-96.9	-179.7	171	173.7	-2.3	118.2
712	E	27.7	Very low	36.9	Very low	187 Å²	187	125.9 Å²	125.9	87%	0.874	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.7	4.5	-171.8	-72.3	-173.5	168.3	0	0	116.1	S710	S710-E712 PolarHBondContact O-N 2.99Å
713	Q	29.9	Very low	38.5	Very low	166 Å²	166	122.3 Å²	122.3	78%	0.776	64%	0.644	S	S	*	*	S	Bend	trans	-123.3	-3.4	-176.1	-78.6	-168.9	-11.9	0	0	119.4
714	N	26.6	Very low	40.4	Very low	151 Å²	151	117.5 Å²	117.5	81%	0.807	62%	0.617	S	S	*	*			trans	-137.3	60.3	-176.5	-82.7	-24.9	0	0	0	115.1
715	V	28.4	Very low	41.9	Very low	144 Å²	144	114.9 Å²	114.9	87%	0.873	61%	0.607	S	S	*	*			trans	-108.7	33.7	154.2	-162.7	0	0	0	0	110	S717	V715-S717 PolarHBondContact O-N 3.33Å
716	Q	29.4	Very low	44	Very low	145 Å²	145	105.7 Å²	105.7	68%	0.678	56%	0.564	S	S	*	*			trans	-69.3	94.1	150.9	-74.3	-175	-10	0	0	105.4	L718	Q716-L718 PolarHBondContact O-N 3.11Å
717	S	35.7	Very low	46.2	Very low	70 Å²	70	101.9 Å²	101.9	49%	0.49	53%	0.533	S	S	.	.			trans	-47.9	106.1	170.5	52.3	0	0	0	0	107.9	V715 I719	V715-S717 PolarHBondContact O-N 3.33Å; S717-I719 VanDerWaalsContact C-N 3.34Å; S717-I719 PolarHBondContact O-N 2.95Å
718	L	38.2	Very low	48.4	Very low	157 Å²	157	96.6 Å²	96.6	82%	0.822	51%	0.506	S	S	*	.			trans	-58.1	104.2	169.3	-99.5	95.6	0	0	0	106	Q716 I720	Q716-L718 PolarHBondContact O-N 3.11Å; L718-I720 VanDerWaalsContact C-N 3.3Å; L718-I720 PolarHBondContact O-N 2.96Å
719	I	46.1	Very low	50.5	Low	93 Å²	93	92.4 Å²	92.4	48%	0.477	48%	0.476	S	S	.	.			trans	-68.5	96.9	171.5	-61.8	170.1	0	0	0	105.4	S717 R721 I752	S717-I719 VanDerWaalsContact C-N 3.34Å; S717-I719 PolarHBondContact O-N 2.95Å; I719-R721 PolarHBondContact O-N 3.21Å; I719-I752 HydrophobicContact CD1-CG2 4.4Å
720	I	55	Low	52.9	Low	75 Å²	75	86 Å²	86	39%	0.385	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-68.4	119.2	174.8	-54.1	-171.2	0	0	0	106.5	F691 A695 L718	F691-I720 HydrophobicContact CE1-CB 4.3Å; F691-I720 HydrophobicContact CE1-CG2 3.92Å; F691-I720 WeakPolarHBondContact CE1-O 3.13Å; F691-I720 HydrophobicContact CZ-CG2 3.82Å; A695-I720 HydrophobicContact CB-CB 3.8Å; A695-I720 HydrophobicContact CB-CD1 3.64Å; A695-I720 HydrophobicContact CB-CG1 3.85Å; L718-I720 VanDerWaalsContact C-N 3.3Å; L718-I720 PolarHBondContact O-N 2.96Å
721	R	63.8	Low	55.5	Low	61 Å²	61	81.5 Å²	81.5	23%	0.23	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-89.7	137.1	175.6	-164.7	-178.9	-175	-179.4	4.4	109	I719 M748 D779 F781	I719-R721 PolarHBondContact O-N 3.21Å; R721-M748 PolarHBondContact NH2-O 3.37Å; R721-D779 PolarHBondContact NH1-O 3.44Å; R721-F781 HydrophobicContact CG-CZ 4.11Å; R721-F781 VanDerWaalsContact CZ-CE2 3.41Å
722	P	70.8	Confident	57.7	Low	3 Å²	3	71.5 Å²	71.5	2%	0.019	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-57.9	152.2	170.2	-21.8	31	0	0	0	111.5	L688 F691 F726 F727 F781	L688-P722 HydrophobicContact CD2-CG 3.78Å; F691-P722 HydrophobicContact CD1-CG 3.77Å; F691-P722 HydrophobicContact CE1-CB 4.32Å; F691-P722 HydrophobicContact CE1-CG 3.72Å; F691-P722 HydrophobicContact CG-CG 4.34Å; F691-P722 HydrophobicContact CZ-CB 4.4Å; F691-P722 HydrophobicContact CZ-CG 4.28Å; P722-F726 HydrophobicContact CB-CB 4.06Å; P722-F726 HydrophobicContact CB-CD1 3.71Å; P722-F726 HydrophobicContact CB-CD2 4.42Å; P722-F726 HydrophobicContact CB-CE1 4.22Å; P722-F726 HydrophobicContact CB-CG 3.84Å; P722-F726 HydrophobicContact CG-CD1 4.37Å; P722-F726 HydrophobicContact CG-CE1 4.41Å; P722-F727 HydrophobicContact CB-CE2 3.95Å; P722-F727 HydrophobicContact CB-CZ 3.97Å; P722-F727 HydrophobicContact CG-CE2 4.39Å; P722-F727 HydrophobicContact CG-CZ 3.98Å; P722-F781 VanDerWaalsContact O-CZ 3.23Å; P722-F781 WeakPolarHBondContact O-CZ 3.41Å
723	S	69.6	Low	59.9	Low	22 Å²	22	64.8 Å²	64.8	15%	0.154	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-64.9	160.1	177.9	59.8	0	0	0	0	112.6	T725 F726 F727	S723-T725 PolarHBondContact O-N 3.28Å; S723-T725 PolarHBondContact OG-OG1 3.04Å; S723-F726 VanDerWaalsContact O-CB 3.31Å; S723-F726 WeakPolarHBondContact O-CB 3.09Å; S723-F726 PolarHBondContact O-N 2.94Å; S723-F726 VanDerWaalsContact O-N 3.17Å; S723-F726 PolarHBondContact OG-N 3.34Å; S723-F727 WeakPolarHBondContact O-CD2 3.28Å
724	F	72.7	Confident	62.3	Low	26 Å²	26	57.6 Å²	57.6	11%	0.114	32%	0.32	C	S	.	.	H	α-helix	trans	-59.1	-33.8	171.5	-178.3	-102.9	0	0	0	112.1	F726 F727 S728 F781 D784 V787	F724-F726 VanDerWaalsContact C-N 3.28Å; F724-F726 PolarHBondContact O-N 3.2Å; F724-F727 PolarHBondContact O-N 3.29Å; F724-S728 VanDerWaalsContact O-CB 3.29Å; F724-S728 WeakPolarHBondContact O-CB 3.47Å; F724-S728 PolarHBondContact O-N 2.88Å; F724-F781 HydrophobicContact CB-CB 4.17Å; F724-F781 HydrophobicContact CB-CD1 3.6Å; F724-F781 HydrophobicContact CB-CE1 4.12Å; F724-F781 HydrophobicContact CB-CG 3.91Å; F724-F781 HydrophobicContact CD2-CB 3.31Å; F724-F781 HydrophobicContact CD2-CD1 4.25Å; F724-F781 HydrophobicContact CD2-CD2 4.08Å; F724-F781 AromaticContact CD2-CG 3.64Å; F724-F781 HydrophobicContact CD2-CG 3.64Å; F724-F781 HydrophobicContact CE2-CB 4Å; F724-F781 HydrophobicContact CG-CB 4.04Å; F724-F781 HydrophobicContact CG-CD1 4.38Å; F724-F781 HydrophobicContact CG-CG 4.22Å; F724-D784 HydrophobicContact CE1-CB 3.57Å; F724-D784 VanDerWaalsContact CE1-CG 3.42Å; F724-D784 VanDerWaalsContact CE1-OD2 3.22Å; F724-D784 WeakPolarHBondContact CE1-OD2 3.45Å; F724-D784 HydrophobicContact CZ-CB 4.07Å; F724-V787 HydrophobicContact CE1-CG2 3.92Å; F724-V787 HydrophobicContact CZ-CB 4.29Å; F724-V787 HydrophobicContact CZ-CG2 3.87Å
725	T	67.2	Low	64.7	Low	88 Å²	88	50.8 Å²	50.8	54%	0.54	29%	0.286	S	S	.	.	H	α-helix	trans	-59.2	-39.4	177.5	55.6	0	0	0	0	111.7	S723 S728 T729	S723-T725 PolarHBondContact O-N 3.28Å; S723-T725 PolarHBondContact OG-OG1 3.04Å; T725-S728 PolarHBondContact O-N 2.94Å; T725-T729 WeakPolarHBondContact O-CG2 3.41Å; T725-T729 PolarHBondContact O-N 3.48Å; T725-T729 PolarHBondContact O-OG1 3.39Å
726	F	77.3	Confident	67.2	Low	1 Å²	1	44.1 Å²	44.1	0%	0.004	25%	0.245	C	C	.	.	H	α-helix	trans	-56.3	-53.6	173.5	174.1	-87.2	0	0	0	111.3	W671 A675 L687 L688 P722 S723 F724 S728 T729 I730	W671-F726 HydrophobicContact CB-CD2 4.18Å; W671-F726 HydrophobicContact CB-CE2 4.27Å; W671-F726 WeakPolarHBondContact O-CD2 3.31Å; A675-F726 HydrophobicContact CB-CD2 3.66Å; A675-F726 HydrophobicContact CB-CE2 3.58Å; A675-F726 HydrophobicContact CB-CG 4.29Å; A675-F726 HydrophobicContact CB-CZ 4.14Å; L687-F726 HydrophobicContact CD2-CE2 3.48Å; L687-F726 VanDerWaalsContact CD2-CE2 3.48Å; L687-F726 HydrophobicContact CD2-CZ 3.64Å; L687-F726 HydrophobicContact CG-CE2 4.19Å; L687-F726 HydrophobicContact CG-CZ 4.28Å; L688-F726 HydrophobicContact CD2-CE1 4Å; L688-F726 HydrophobicContact CD2-CZ 4.15Å; P722-F726 HydrophobicContact CB-CB 4.06Å; P722-F726 HydrophobicContact CB-CD1 3.71Å; P722-F726 HydrophobicContact CB-CD2 4.42Å; P722-F726 HydrophobicContact CB-CE1 4.22Å; P722-F726 HydrophobicContact CB-CG 3.84Å; P722-F726 HydrophobicContact CG-CD1 4.37Å; P722-F726 HydrophobicContact CG-CE1 4.41Å; S723-F726 VanDerWaalsContact O-CB 3.31Å; S723-F726 WeakPolarHBondContact O-CB 3.09Å; S723-F726 PolarHBondContact O-N 2.94Å; S723-F726 VanDerWaalsContact O-N 3.17Å; S723-F726 PolarHBondContact OG-N 3.34Å; F724-F726 VanDerWaalsContact C-N 3.28Å; F724-F726 PolarHBondContact O-N 3.2Å; F726-S728 PolarHBondContact O-N 3.13Å; F726-T729 PolarHBondContact O-N 3.22Å; F726-T729 PolarHBondContact O-OG1 3.08Å; F726-I730 HydrophobicContact CD1-CD1 3.98Å; F726-I730 HydrophobicContact CE1-CD1 3.5Å; F726-I730 VanDerWaalsContact CE1-CD1 3.5Å; F726-I730 HydrophobicContact CZ-CD1 3.89Å; F726-I730 PolarHBondContact O-N 3.03Å
727	F	80.9	Confident	69.7	Low	1 Å²	1	38 Å²	38	0%	0.004	22%	0.217	C	C	.	.	H	α-helix	trans	-68	-37.4	-179.4	-61.7	-64.9	0	0	0	112.9	P722 S723 F724 T729 I730 L731 V744 Y747 M748 F781	P722-F727 HydrophobicContact CB-CE2 3.95Å; P722-F727 HydrophobicContact CB-CZ 3.97Å; P722-F727 HydrophobicContact CG-CE2 4.39Å; P722-F727 HydrophobicContact CG-CZ 3.98Å; S723-F727 WeakPolarHBondContact O-CD2 3.28Å; F724-F727 PolarHBondContact O-N 3.29Å; F727-T729 VanDerWaalsContact C-N 3.32Å; F727-T729 PolarHBondContact O-N 2.88Å; F727-I730 PolarHBondContact O-N 2.91Å; F727-L731 WeakPolarHBondContact O-CB 3.32Å; F727-L731 VanDerWaalsContact O-CG 3.29Å; F727-L731 WeakPolarHBondContact O-CG 3.36Å; F727-L731 PolarHBondContact O-N 3.01Å; F727-V744 HydrophobicContact CB-CG1 4.08Å; F727-V744 HydrophobicContact CD1-CG1 3.74Å; F727-V744 HydrophobicContact CG-CG1 4.31Å; F727-Y747 AromaticContact CE1-CD1 3.74Å; F727-Y747 HydrophobicContact CE1-CD1 3.74Å; F727-Y747 HydrophobicContact CE1-CE1 4.14Å; F727-Y747 AromaticContact CZ-CD1 3.65Å; F727-Y747 HydrophobicContact CZ-CD1 3.65Å; F727-Y747 AromaticContact CZ-CE1 3.73Å; F727-Y747 HydrophobicContact CZ-CE1 3.73Å; F727-M748 HydrophobicContact CB-CG 4.12Å; F727-M748 HydrophobicContact CB-SD 3.43Å; F727-M748 WeakPolarHBondContact CB-SD 3.5Å; F727-M748 HydrophobicContact CD1-CG 4.05Å; F727-M748 HydrophobicContact CD1-SD 4.47Å; F727-M748 HydrophobicContact CD2-CG 3.79Å; F727-M748 HydrophobicContact CD2-SD 3.96Å; F727-M748 HydrophobicContact CE1-CG 4.43Å; F727-M748 HydrophobicContact CE2-CG 4.22Å; F727-M748 HydrophobicContact CG-CG 3.7Å; F727-M748 HydrophobicContact CG-SD 3.7Å; F727-F781 HydrophobicContact CD2-CD2 4.39Å; F727-F781 AromaticContact CD2-CE2 3.66Å; F727-F781 HydrophobicContact CD2-CE2 3.66Å; F727-F781 HydrophobicContact CD2-CZ 4.1Å; F727-F781 AromaticContact CE2-CE2 3.63Å; F727-F781 HydrophobicContact CE2-CE2 3.63Å; F727-F781 AromaticContact CE2-CZ 3.9Å; F727-F781 HydrophobicContact CE2-CZ 3.9Å
728	S	76.1	Confident	72.2	Confident	25 Å²	25	34.8 Å²	34.8	18%	0.175	19%	0.194	C	C	.	.	H	α-helix	trans	-57.2	-43.1	173.7	172.4	0	0	0	0	112	F724 T725 F726 L731 S732 V787	F724-S728 VanDerWaalsContact O-CB 3.29Å; F724-S728 WeakPolarHBondContact O-CB 3.47Å; F724-S728 PolarHBondContact O-N 2.88Å; T725-S728 PolarHBondContact O-N 2.94Å; F726-S728 PolarHBondContact O-N 3.13Å; S728-L731 PolarHBondContact O-N 3.25Å; S728-S732 WeakPolarHBondContact O-CB 3.23Å; S728-S732 PolarHBondContact O-N 3.07Å; S728-S732 PolarHBondContact O-OG 2.7Å; S728-S732 VanDerWaalsContact O-OG 3.12Å; S728-V787 WeakPolarHBondContact OG-CG2 3.44Å
729	T	74.2	Confident	74.4	Confident	38 Å²	38	31.9 Å²	31.9	23%	0.233	18%	0.177	C	C	.	.	H	α-helix	trans	-62.4	-45.1	176.6	59.7	0	0	0	0	112	T725 F726 F727 L731 S732 T733	T725-T729 WeakPolarHBondContact O-CG2 3.41Å; T725-T729 PolarHBondContact O-N 3.48Å; T725-T729 PolarHBondContact O-OG1 3.39Å; F726-T729 PolarHBondContact O-N 3.22Å; F726-T729 PolarHBondContact O-OG1 3.08Å; F727-T729 VanDerWaalsContact C-N 3.32Å; F727-T729 PolarHBondContact O-N 2.88Å; T729-L731 PolarHBondContact O-N 3.37Å; T729-S732 PolarHBondContact O-N 3.25Å; T729-S732 PolarHBondContact O-OG 3.42Å; T729-T733 WeakPolarHBondContact O-CG2 3.39Å; T729-T733 PolarHBondContact O-N 2.98Å; T729-T733 VanDerWaalsContact O-N 3.07Å; T729-T733 PolarHBondContact O-OG1 2.87Å; T729-T733 VanDerWaalsContact O-OG1 3.04Å
730	I	82.1	Confident	76.3	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.8	-43.9	177.9	-57.9	170.8	0	0	0	111.3	A675 V684 F726 F727 S732 T733 S734 L740 V744	A675-I730 HydrophobicContact CB-CD1 3.96Å; A675-I730 HydrophobicContact CB-CG1 3.66Å; V684-I730 HydrophobicContact CG1-CD1 4.34Å; V684-I730 HydrophobicContact CG2-CD1 4.27Å; V684-I730 HydrophobicContact CG2-CG2 4.35Å; F726-I730 HydrophobicContact CD1-CD1 3.98Å; F726-I730 HydrophobicContact CE1-CD1 3.5Å; F726-I730 VanDerWaalsContact CE1-CD1 3.5Å; F726-I730 HydrophobicContact CZ-CD1 3.89Å; F726-I730 PolarHBondContact O-N 3.03Å; F727-I730 PolarHBondContact O-N 2.91Å; I730-S732 VanDerWaalsContact C-N 3.27Å; I730-S732 PolarHBondContact O-N 3.12Å; I730-T733 PolarHBondContact O-N 3.38Å; I730-T733 PolarHBondContact O-OG1 3.4Å; I730-S734 WeakPolarHBondContact O-CB 3.43Å; I730-S734 PolarHBondContact O-N 2.88Å; I730-S734 PolarHBondContact O-OG 3.17Å; I730-L740 HydrophobicContact CG2-CD2 4.25Å; I730-L740 HydrophobicContact CG2-CG 4.34Å; I730-V744 HydrophobicContact CG2-CG2 3.87Å
731	L	83	Confident	77.9	Confident	1 Å²	1	23.9 Å²	23.9	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-65.6	-31.4	-179.3	-71	172.1	0	0	0	112.4	F727 S728 T729 S734 K741 V744 I745 M748 V787 I791	F727-L731 WeakPolarHBondContact O-CB 3.32Å; F727-L731 VanDerWaalsContact O-CG 3.29Å; F727-L731 WeakPolarHBondContact O-CG 3.36Å; F727-L731 PolarHBondContact O-N 3.01Å; S728-L731 PolarHBondContact O-N 3.25Å; T729-L731 PolarHBondContact O-N 3.37Å; L731-S734 PolarHBondContact O-OG 2.87Å; L731-S734 VanDerWaalsContact O-OG 3.11Å; L731-K741 HydrophobicContact CD2-CB 3.99Å; L731-K741 HydrophobicContact CD2-CG 3.93Å; L731-K741 PolarHBondContact O-NZ 3.19Å; L731-V744 HydrophobicContact CD1-CG1 4.2Å; L731-V744 HydrophobicContact CD2-CB 4.11Å; L731-V744 HydrophobicContact CD2-CG1 3.9Å; L731-V744 HydrophobicContact CG-CG1 3.9Å; L731-I745 HydrophobicContact CD2-CG1 4.34Å; L731-M748 HydrophobicContact CD1-CE 3.73Å; L731-V787 HydrophobicContact CB-CG1 4.25Å; L731-V787 HydrophobicContact CD1-CG1 3.81Å; L731-I791 HydrophobicContact CD1-CD1 4.31Å
732	S	76.9	Confident	78.9	Confident	48 Å²	48	21.3 Å²	21.3	34%	0.336	13%	0.127	S	C	.	.	H	α-helix	trans	-80.5	-31.1	177.4	64.4	0	0	0	0	113.6	K269 S728 T729 I730	K269-S732 PolarHBondContact NZ-O 3.27Å; S728-S732 WeakPolarHBondContact O-CB 3.23Å; S728-S732 PolarHBondContact O-N 3.07Å; S728-S732 PolarHBondContact O-OG 2.7Å; S728-S732 VanDerWaalsContact O-OG 3.12Å; T729-S732 PolarHBondContact O-N 3.25Å; T729-S732 PolarHBondContact O-OG 3.42Å; I730-S732 VanDerWaalsContact C-N 3.27Å; I730-S732 PolarHBondContact O-N 3.12Å
733	T	74.6	Confident	79.5	Confident	45 Å²	45	23 Å²	23	28%	0.276	13%	0.134	S	C	.	.	H	α-helix	trans	-88.3	-26.1	-177.5	58.5	0	0	0	0	113.9	R676 T729 I730 G735	R676-T733 HydrophobicContact CB-CG2 4.48Å; R676-T733 HydrophobicContact CG-CG2 3.83Å; T729-T733 WeakPolarHBondContact O-CG2 3.39Å; T729-T733 PolarHBondContact O-N 2.98Å; T729-T733 VanDerWaalsContact O-N 3.07Å; T729-T733 PolarHBondContact O-OG1 2.87Å; T729-T733 VanDerWaalsContact O-OG1 3.04Å; I730-T733 PolarHBondContact O-N 3.38Å; I730-T733 PolarHBondContact O-OG1 3.4Å; T733-G735 PolarHBondContact O-N 3.16Å
734	S	79.2	Confident	80.2	Confident	15 Å²	15	22 Å²	22	11%	0.105	13%	0.127	C	C	.	.			trans	-61.1	-12.6	-175.9	46.2	0	0	0	0	116.1	I730 L731 F736 D737 K741	I730-S734 WeakPolarHBondContact O-CB 3.43Å; I730-S734 PolarHBondContact O-N 2.88Å; I730-S734 PolarHBondContact O-OG 3.17Å; L731-S734 PolarHBondContact O-OG 2.87Å; L731-S734 VanDerWaalsContact O-OG 3.11Å; S734-F736 PolarHBondContact O-N 3.37Å; S734-D737 WeakPolarHBondContact O-CB 3.1Å; S734-D737 PolarHBondContact O-N 2.99Å; S734-K741 WeakPolarHBondContact OG-CE 3.35Å; S734-K741 WeakPolarHBondContact OG-CG 3.45Å
735	G	77.8	Confident	80.7	Confident	9 Å²	9	20.7 Å²	20.7	9%	0.093	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	57	-124.3	178.5	0	0	0	0	0	112.5	T733 K741	T733-G735 PolarHBondContact O-N 3.16Å; G735-K741 WeakPolarHBondContact O-CE 2.89Å
736	F	81	Confident	81.4	Confident	3 Å²	3	19.8 Å²	19.8	1%	0.013	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	19.4	176.5	-60.6	-35.9	0	0	0	114.2	S734 W738 L797 F798 L801 F822 V824	S734-F736 PolarHBondContact O-N 3.37Å; F736-W738 VanDerWaalsContact C-N 3.33Å; F736-W738 HydrophobicContact CB-CZ2 4.37Å; F736-W738 HydrophobicContact CD1-CH2 4.27Å; F736-W738 AromaticContact CD1-CZ2 3.7Å; F736-W738 HydrophobicContact CD1-CZ2 3.7Å; F736-W738 HydrophobicContact CE1-CZ2 4.46Å; F736-W738 HydrophobicContact CG-CZ2 4.38Å; F736-W738 VanDerWaalsContact O-CD1 3.23Å; F736-W738 PolarHBondContact O-N 3.35Å; F736-W738 PolarHBondContact O-NE1 3.39Å; F736-L797 HydrophobicContact CE1-CB 4.36Å; F736-L797 HydrophobicContact CZ-CB 4.17Å; F736-F798 HydrophobicContact CB-CD2 4.45Å; F736-F798 HydrophobicContact CD1-CB 4.19Å; F736-F798 HydrophobicContact CD1-CD2 4.14Å; F736-F798 HydrophobicContact CD2-CD2 4.33Å; F736-F798 HydrophobicContact CE1-CB 3.92Å; F736-F798 HydrophobicContact CE1-CD2 4.47Å; F736-F798 HydrophobicContact CG-CD2 4.07Å; F736-F798 HydrophobicContact CZ-CB 4.41Å; F736-L801 HydrophobicContact CE2-CD1 3.61Å; F736-L801 HydrophobicContact CZ-CD1 3.84Å; F736-F822 HydrophobicContact CD2-CB 3.52Å; F736-F822 HydrophobicContact CD2-CD1 4.49Å; F736-F822 HydrophobicContact CD2-CG 4.09Å; F736-F822 HydrophobicContact CE2-CB 3.52Å; F736-F822 HydrophobicContact CE2-CD1 4.48Å; F736-F822 HydrophobicContact CE2-CD2 4.18Å; F736-F822 AromaticContact CE2-CG 3.82Å; F736-F822 HydrophobicContact CE2-CG 3.82Å; F736-F822 HydrophobicContact CG-CB 4.37Å; F736-F822 HydrophobicContact CZ-CB 4.37Å; F736-F822 HydrophobicContact CZ-CD2 4.31Å; F736-F822 HydrophobicContact CZ-CG 4.19Å; F736-V824 HydrophobicContact CD2-CG2 4.1Å
737	D	82.8	Confident	81.4	Confident	16 Å²	16	22.1 Å²	22.1	9%	0.086	12%	0.12	C	C	.	.			trans	-76.1	83.8	170.2	-165.3	-19	0	0	0	111.5	S734 E739 L740 K741 Y825	S734-D737 WeakPolarHBondContact O-CB 3.1Å; S734-D737 PolarHBondContact O-N 2.99Å; D737-E739 VanDerWaalsContact C-N 3.3Å; D737-E739 PolarHBondContact O-N 2.82Å; D737-E739 PolarHBondContact OD1-N 2.86Å; D737-L740 HydrophobicContact CB-CB 3.91Å; D737-L740 PolarHBondContact O-N 3.46Å; D737-L740 WeakPolarHBondContact OD1-CB 3.26Å; D737-L740 PolarHBondContact OD1-N 3.42Å; D737-L740 VanDerWaalsContact OD2-CB 3.27Å; D737-L740 WeakPolarHBondContact OD2-CB 3.4Å; D737-K741 WeakPolarHBondContact O-CG 3.46Å; D737-K741 PolarHBondContact O-N 3.44Å; D737-K741 VanDerWaalsContact O-N 3.08Å; D737-Y825 HydrophobicContact CB-CD2 4.02Å; D737-Y825 HydrophobicContact CB-CE2 3.66Å
738	W	86.6	Confident	81.2	Confident	3 Å²	3	22.3 Å²	22.3	1%	0.011	12%	0.122	C	C	.	.	H	α-helix	trans	-66.4	-30.1	-179.4	-55.3	115.6	0	0	0	113.3	F736 K741 A742 D794 I795 F798 F832 F835	F736-W738 VanDerWaalsContact C-N 3.33Å; F736-W738 HydrophobicContact CB-CZ2 4.37Å; F736-W738 HydrophobicContact CD1-CH2 4.27Å; F736-W738 AromaticContact CD1-CZ2 3.7Å; F736-W738 HydrophobicContact CD1-CZ2 3.7Å; F736-W738 HydrophobicContact CE1-CZ2 4.46Å; F736-W738 HydrophobicContact CG-CZ2 4.38Å; F736-W738 VanDerWaalsContact O-CD1 3.23Å; F736-W738 PolarHBondContact O-N 3.35Å; F736-W738 PolarHBondContact O-NE1 3.39Å; W738-K741 HydrophobicContact CE3-CD 4.02Å; W738-K741 HydrophobicContact CZ3-CD 4.08Å; W738-A742 WeakPolarHBondContact O-CB 3.3Å; W738-A742 PolarHBondContact O-N 3.41Å; W738-D794 HydrophobicContact CH2-CB 4.06Å; W738-I795 HydrophobicContact CH2-CG1 4.23Å; W738-I795 HydrophobicContact CZ3-CG1 4.14Å; W738-F798 AromaticContact CE2-CD2 3.96Å; W738-F798 AromaticContact CE2-CG 3.99Å; W738-F798 HydrophobicContact CH2-CB 4.24Å; W738-F798 HydrophobicContact CZ2-CB 3.56Å; W738-F798 AromaticContact CZ2-CD1 3.95Å; W738-F798 HydrophobicContact CZ2-CD1 3.95Å; W738-F798 AromaticContact CZ2-CD2 3.73Å; W738-F798 HydrophobicContact CZ2-CD2 3.73Å; W738-F798 HydrophobicContact CZ2-CE2 4.4Å; W738-F798 AromaticContact CZ2-CG 3.48Å; W738-F798 HydrophobicContact CZ2-CG 3.48Å; W738-F798 VanDerWaalsContact CZ2-CG 3.48Å; W738-F798 AromaticContact NE1-CD2 3.55Å; W738-F798 AromaticContact NE1-CE1 3.85Å; W738-F798 AromaticContact NE1-CE2 3.32Å; W738-F798 VanDerWaalsContact NE1-CE2 3.32Å; W738-F798 AromaticContact NE1-CG 3.93Å; W738-F798 AromaticContact NE1-CZ 3.49Å; W738-F832 HydrophobicContact CD2-CB 4.28Å; W738-F832 AromaticContact CD2-CD2 3.75Å; W738-F832 HydrophobicContact CD2-CD2 3.75Å; W738-F832 AromaticContact CE2-CD2 3.61Å; W738-F832 HydrophobicContact CE3-CD2 4.03Å; W738-F832 HydrophobicContact CG-CB 3.95Å; W738-F832 HydrophobicContact CG-CD2 4.32Å; W738-F832 HydrophobicContact CH2-CD2 4.08Å; W738-F832 HydrophobicContact CH2-CE2 4.18Å; W738-F832 AromaticContact CZ2-CD2 3.81Å; W738-F832 HydrophobicContact CZ2-CD2 3.81Å; W738-F832 HydrophobicContact CZ2-CE2 4.23Å; W738-F832 HydrophobicContact CZ3-CD2 4.17Å; W738-F832 HydrophobicContact CZ3-CE2 4.39Å; W738-F835 HydrophobicContact CB-CB 3.99Å; W738-F835 HydrophobicContact CB-CG 4.42Å; W738-F835 HydrophobicContact CD2-CD1 4.3Å; W738-F835 AromaticContact CE3-CD1 3.37Å; W738-F835 HydrophobicContact CE3-CD1 3.37Å; W738-F835 AromaticContact CE3-CE1 3.57Å; W738-F835 HydrophobicContact CE3-CE1 3.57Å; W738-F835 AromaticContact CE3-CG 3.9Å; W738-F835 HydrophobicContact CE3-CG 3.9Å; W738-F835 HydrophobicContact CE3-CZ 4.26Å; W738-F835 AromaticContact CZ3-CD1 3.82Å; W738-F835 HydrophobicContact CZ3-CD1 3.82Å; W738-F835 AromaticContact CZ3-CE1 3.56Å; W738-F835 HydrophobicContact CZ3-CE1 3.56Å; W738-F835 HydrophobicContact CZ3-CZ 4.25Å
739	E	84.5	Confident	81.1	Confident	96 Å²	96	25.4 Å²	25.4	45%	0.449	13%	0.129	S	C	.	.	H	α-helix	trans	-71.8	-40.8	178.8	-64.4	-156	167.3	0	0	111.6	D737 A742 F743 S831	D737-E739 VanDerWaalsContact C-N 3.3Å; D737-E739 PolarHBondContact O-N 2.82Å; D737-E739 PolarHBondContact OD1-N 2.86Å; E739-A742 PolarHBondContact O-N 3.35Å; E739-F743 WeakPolarHBondContact O-CB 3.28Å; E739-F743 PolarHBondContact O-N 3.13Å; E739-S831 WeakPolarHBondContact CG-OG 3.29Å; E739-S831 PolarHBondContact OE1-OG 3.23Å
740	L	85.8	Confident	80.7	Confident	1 Å²	1	31.6 Å²	31.6	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-63.6	-48.7	174.3	-173.4	62.3	0	0	0	111.1	V684 I730 D737 A742 F743 V744	V684-L740 HydrophobicContact CB-CD1 4.29Å; V684-L740 HydrophobicContact CG2-CD1 3.67Å; I730-L740 HydrophobicContact CG2-CD2 4.25Å; I730-L740 HydrophobicContact CG2-CG 4.34Å; D737-L740 HydrophobicContact CB-CB 3.91Å; D737-L740 PolarHBondContact O-N 3.46Å; D737-L740 WeakPolarHBondContact OD1-CB 3.26Å; D737-L740 PolarHBondContact OD1-N 3.42Å; D737-L740 VanDerWaalsContact OD2-CB 3.27Å; D737-L740 WeakPolarHBondContact OD2-CB 3.4Å; L740-A742 VanDerWaalsContact C-N 3.32Å; L740-A742 PolarHBondContact O-N 3.29Å; L740-F743 PolarHBondContact O-N 2.88Å; L740-V744 WeakPolarHBondContact O-CG2 3.48Å; L740-V744 PolarHBondContact O-N 2.97Å
741	K	88.4	Confident	79.3	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-58.9	-43.3	176.1	-69.9	178.2	-173.3	-97.7	0	111.6	L731 S734 G735 D737 W738 V744 I745 D794 F835	L731-K741 HydrophobicContact CD2-CB 3.99Å; L731-K741 HydrophobicContact CD2-CG 3.93Å; L731-K741 PolarHBondContact O-NZ 3.19Å; S734-K741 WeakPolarHBondContact OG-CE 3.35Å; S734-K741 WeakPolarHBondContact OG-CG 3.45Å; G735-K741 WeakPolarHBondContact O-CE 2.89Å; D737-K741 WeakPolarHBondContact O-CG 3.46Å; D737-K741 PolarHBondContact O-N 3.44Å; D737-K741 VanDerWaalsContact O-N 3.08Å; W738-K741 HydrophobicContact CE3-CD 4.02Å; W738-K741 HydrophobicContact CZ3-CD 4.08Å; K741-V744 PolarHBondContact O-N 2.83Å; K741-I745 WeakPolarHBondContact O-CG1 3.39Å; K741-I745 PolarHBondContact O-N 3.17Å; K741-D794 IonicContact NZ-OD2 3.99Å; K741-D794 PolarHBondContact NZ-OD2 3.16Å; K741-F835 HydrophobicContact CB-CD2 3.77Å; K741-F835 HydrophobicContact CB-CE2 3.52Å; K741-F835 HydrophobicContact CB-CZ 4.35Å; K741-F835 HydrophobicContact CD-CE2 4.27Å; K741-F835 HydrophobicContact CD-CZ 4.3Å
742	A	85.2	Confident	77.7	Confident	6 Å²	6	40.3 Å²	40.3	5%	0.05	20%	0.199	C	C	.	.	H	α-helix	trans	-62.5	-44.2	176.5	0	0	0	0	0	112	W738 E739 L740 I745 E746 F835 I838	W738-A742 WeakPolarHBondContact O-CB 3.3Å; W738-A742 PolarHBondContact O-N 3.41Å; E739-A742 PolarHBondContact O-N 3.35Å; L740-A742 VanDerWaalsContact C-N 3.32Å; L740-A742 PolarHBondContact O-N 3.29Å; A742-I745 PolarHBondContact O-N 3.49Å; A742-E746 WeakPolarHBondContact O-CB 3.26Å; A742-E746 WeakPolarHBondContact O-CG 3.49Å; A742-E746 PolarHBondContact O-N 3.31Å; A742-F835 HydrophobicContact CB-CB 4.17Å; A742-F835 HydrophobicContact CB-CD2 4.16Å; A742-I838 HydrophobicContact CB-CD1 3.91Å
743	F	84.9	Confident	75.9	Confident	38 Å²	38	43.8 Å²	43.8	17%	0.167	21%	0.21	C	C	.	.	H	α-helix	trans	-62	-44.2	177	173.3	-103.7	0	0	0	112	K681 V684 K685 E739 L740 E746 Y747	K681-F743 HydrophobicContact CD-CG 4.49Å; K681-F743 HydrophobicContact CG-CD1 4.21Å; K681-F743 HydrophobicContact CG-CD2 4.47Å; K681-F743 HydrophobicContact CG-CG 4.15Å; V684-F743 HydrophobicContact CG1-CD1 4.45Å; V684-F743 HydrophobicContact CG1-CE1 3.98Å; K685-F743 HydrophobicContact CG-CE1 4.29Å; K685-F743 HydrophobicContact CG-CZ 3.87Å; E739-F743 WeakPolarHBondContact O-CB 3.28Å; E739-F743 PolarHBondContact O-N 3.13Å; L740-F743 PolarHBondContact O-N 2.88Å; F743-E746 PolarHBondContact O-N 3.49Å; F743-Y747 WeakPolarHBondContact O-CB 3.39Å; F743-Y747 PolarHBondContact O-N 2.99Å
744	V	84.3	Confident	74	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.006	23%	0.225	C	C	.	.	H	α-helix	trans	-63.9	-45.4	178.4	169.8	0	0	0	0	111.1	F727 I730 L731 L740 K741 Y747 M748	F727-V744 HydrophobicContact CB-CG1 4.08Å; F727-V744 HydrophobicContact CD1-CG1 3.74Å; F727-V744 HydrophobicContact CG-CG1 4.31Å; I730-V744 HydrophobicContact CG2-CG2 3.87Å; L731-V744 HydrophobicContact CD1-CG1 4.2Å; L731-V744 HydrophobicContact CD2-CB 4.11Å; L731-V744 HydrophobicContact CD2-CG1 3.9Å; L731-V744 HydrophobicContact CG-CG1 3.9Å; L740-V744 WeakPolarHBondContact O-CG2 3.48Å; L740-V744 PolarHBondContact O-N 2.97Å; K741-V744 PolarHBondContact O-N 2.83Å; V744-Y747 PolarHBondContact O-N 3.21Å; V744-M748 HydrophobicContact CG1-CE 4.18Å; V744-M748 WeakPolarHBondContact O-CG 3.27Å; V744-M748 PolarHBondContact O-N 3.11Å
745	I	82.9	Confident	71.7	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63.9	-43.6	177.4	-67.1	174	0	0	0	111.4	L731 K741 A742 Y747 M748 R749 F835 I838 Y839 W842	L731-I745 HydrophobicContact CD2-CG1 4.34Å; K741-I745 WeakPolarHBondContact O-CG1 3.39Å; K741-I745 PolarHBondContact O-N 3.17Å; A742-I745 PolarHBondContact O-N 3.49Å; I745-Y747 VanDerWaalsContact C-N 3.34Å; I745-Y747 PolarHBondContact O-N 3.2Å; I745-M748 HydrophobicContact CB-CE 4.42Å; I745-M748 HydrophobicContact CG1-CE 3.95Å; I745-M748 CarbonylContact O-C 3.57Å; I745-M748 PolarHBondContact O-N 3.06Å; I745-R749 WeakPolarHBondContact O-CB 3.37Å; I745-R749 PolarHBondContact O-N 2.83Å; I745-F835 HydrophobicContact CD1-CD2 4.45Å; I745-F835 HydrophobicContact CD1-CE2 3.63Å; I745-F835 HydrophobicContact CD1-CZ 4.39Å; I745-I838 HydrophobicContact CB-CG2 4.25Å; I745-I838 HydrophobicContact CG2-CG2 3.75Å; I745-Y839 HydrophobicContact CD1-CD2 4.09Å; I745-W842 HydrophobicContact CD1-CE3 3.97Å; I745-W842 HydrophobicContact CD1-CZ3 4.16Å; I745-W842 HydrophobicContact CG1-CD2 4.48Å; I745-W842 HydrophobicContact CG1-CE3 4.28Å; I745-W842 HydrophobicContact CG1-CZ3 4.35Å; I745-W842 HydrophobicContact CG2-CB 3.82Å; I745-W842 HydrophobicContact CG2-CD2 3.78Å; I745-W842 HydrophobicContact CG2-CE3 4.25Å; I745-W842 HydrophobicContact CG2-CG 3.62Å
746	E	80.8	Confident	69.3	Low	69 Å²	69	59.4 Å²	59.4	32%	0.322	29%	0.286	S	S	.	.	H	α-helix	trans	-62.2	-41.1	175.1	-76.5	-69.3	171.3	0	0	111.8	A742 F743 M748 R749 R750 I838	A742-E746 WeakPolarHBondContact O-CB 3.26Å; A742-E746 WeakPolarHBondContact O-CG 3.49Å; A742-E746 PolarHBondContact O-N 3.31Å; F743-E746 PolarHBondContact O-N 3.49Å; E746-M748 VanDerWaalsContact C-N 3.33Å; E746-M748 PolarHBondContact O-N 2.53Å; E746-R749 PolarHBondContact O-N 3.47Å; E746-R749 VanDerWaalsContact O-N 3.08Å; E746-R750 WeakPolarHBondContact O-CG 3.45Å; E746-R750 PolarHBondContact O-N 3.14Å; E746-I838 HydrophobicContact CG-CD1 3.98Å; E746-I838 HydrophobicContact CG-CG2 4Å; E746-I838 WeakPolarHBondContact OE1-CG1 3.36Å
747	Y	78.4	Confident	66.8	Low	49 Å²	49	66.3 Å²	66.3	19%	0.192	32%	0.322	C	S	.	.	H	α-helix	trans	-63.2	-39.8	174.7	-170.7	-87.4	0	0	0	111.6	L688 F727 F743 V744 I745 R749 R750	L688-Y747 HydrophobicContact CD1-CD1 4.47Å; L688-Y747 HydrophobicContact CD1-CD2 4.14Å; L688-Y747 HydrophobicContact CD1-CE1 4.23Å; L688-Y747 HydrophobicContact CD1-CE2 3.86Å; L688-Y747 HydrophobicContact CD1-CG 4.43Å; L688-Y747 HydrophobicContact CD2-CE1 4.14Å; F727-Y747 AromaticContact CE1-CD1 3.74Å; F727-Y747 HydrophobicContact CE1-CD1 3.74Å; F727-Y747 HydrophobicContact CE1-CE1 4.14Å; F727-Y747 AromaticContact CZ-CD1 3.65Å; F727-Y747 HydrophobicContact CZ-CD1 3.65Å; F727-Y747 AromaticContact CZ-CE1 3.73Å; F727-Y747 HydrophobicContact CZ-CE1 3.73Å; F743-Y747 WeakPolarHBondContact O-CB 3.39Å; F743-Y747 PolarHBondContact O-N 2.99Å; V744-Y747 PolarHBondContact O-N 3.21Å; I745-Y747 VanDerWaalsContact C-N 3.34Å; I745-Y747 PolarHBondContact O-N 3.2Å; Y747-R749 PolarHBondContact O-N 3.42Å; Y747-R750 PolarHBondContact O-N 3.22Å
748	M	76.1	Confident	64.2	Low	6 Å²	6	69.6 Å²	69.6	3%	0.03	35%	0.347	C	S	.	.	H	α-helix	trans	-66.8	-22.5	172.7	-71.3	-168.3	-61.1	0	0	113.4	R721 F727 L731 V744 I745 E746 F781 W842	R721-M748 PolarHBondContact NH2-O 3.37Å; F727-M748 HydrophobicContact CB-CG 4.12Å; F727-M748 HydrophobicContact CB-SD 3.43Å; F727-M748 WeakPolarHBondContact CB-SD 3.5Å; F727-M748 HydrophobicContact CD1-CG 4.05Å; F727-M748 HydrophobicContact CD1-SD 4.47Å; F727-M748 HydrophobicContact CD2-CG 3.79Å; F727-M748 HydrophobicContact CD2-SD 3.96Å; F727-M748 HydrophobicContact CE1-CG 4.43Å; F727-M748 HydrophobicContact CE2-CG 4.22Å; F727-M748 HydrophobicContact CG-CG 3.7Å; F727-M748 HydrophobicContact CG-SD 3.7Å; L731-M748 HydrophobicContact CD1-CE 3.73Å; V744-M748 HydrophobicContact CG1-CE 4.18Å; V744-M748 WeakPolarHBondContact O-CG 3.27Å; V744-M748 PolarHBondContact O-N 3.11Å; I745-M748 HydrophobicContact CB-CE 4.42Å; I745-M748 HydrophobicContact CG1-CE 3.95Å; I745-M748 CarbonylContact O-C 3.57Å; I745-M748 PolarHBondContact O-N 3.06Å; E746-M748 VanDerWaalsContact C-N 3.33Å; E746-M748 PolarHBondContact O-N 2.53Å; M748-F781 HydrophobicContact CB-CD2 4.49Å; M748-F781 HydrophobicContact CG-CD2 4.21Å; M748-F781 HydrophobicContact CG-CE2 4.25Å; M748-F781 HydrophobicContact SD-CD2 4.15Å; M748-W842 HydrophobicContact CE-CH2 3.77Å; M748-W842 HydrophobicContact CE-CZ2 3.34Å; M748-W842 HydrophobicContact SD-CZ2 4.32Å
749	R	72.9	Confident	61.6	Low	90 Å²	90	76 Å²	76	34%	0.34	38%	0.381	S	S	.	.	H	α-helix	trans	-88	-23.9	179.7	-167.7	178	-179.7	-156.5	-2.8	113.4	I745 E746 Y747 P751 S841 E845	I745-R749 WeakPolarHBondContact O-CB 3.37Å; I745-R749 PolarHBondContact O-N 2.83Å; E746-R749 PolarHBondContact O-N 3.47Å; E746-R749 VanDerWaalsContact O-N 3.08Å; Y747-R749 PolarHBondContact O-N 3.42Å; R749-P751 WeakPolarHBondContact O-CD 3.41Å; R749-S841 PolarHBondContact NH2-OG 3.08Å; R749-E845 IonicContact CZ-OE1 2.89Å; R749-E845 IonicContact CZ-OE2 2.83Å; R749-E845 IonicContact NE-OE1 3.79Å; R749-E845 IonicContact NE-OE2 3.12Å; R749-E845 PolarHBondContact NE-OE2 3.01Å; R749-E845 IonicContact NH2-OE1 2.67Å; R749-E845 PolarHBondContact NH2-OE1 3.24Å; R749-E845 IonicContact NH2-OE2 3.76Å; R749-E845 PolarHBondContact NH2-OE2 2.96Å
750	R	65.9	Low	59.3	Low	167 Å²	167	81.4 Å²	81.4	63%	0.63	40%	0.403	S	S	*	.	S	Bend	trans	-56.4	123.6	-179.9	-75.9	179.9	-178.8	-158.9	-4.7	110.1	E746 Y747	E746-R750 WeakPolarHBondContact O-CG 3.45Å; E746-R750 PolarHBondContact O-N 3.14Å; Y747-R750 PolarHBondContact O-N 3.22Å
751	P	53.6	Low	56.9	Low	92 Å²	92	88.5 Å²	88.5	60%	0.597	44%	0.441	S	S	*	.			trans	-63.4	149	168.3	27.2	-31.9	0	0	0	109.1	R749 H753	R749-P751 WeakPolarHBondContact O-CD 3.41Å; P751-H753 PolarHBondContact O-N 3.34Å
752	I	49.1	Very low	54.1	Low	93 Å²	93	91.9 Å²	91.9	48%	0.477	47%	0.465	S	S	.	.			trans	-63.9	99.4	172.5	-58.9	165.1	0	0	0	106.6	I719 V754	I719-I752 HydrophobicContact CD1-CG2 4.4Å; I752-V754 HydrophobicContact CG2-CG2 4.26Å; I752-V754 PolarHBondContact O-N 3.33Å
753	H	38.6	Very low	51.5	Low	121 Å²	121	98.5 Å²	98.5	56%	0.56	51%	0.505	S	S	*	.			trans	-77.2	104.8	170.5	-82.2	-69	0	0	0	107.9	P751 D755	P751-H753 PolarHBondContact O-N 3.34Å; H753-D755 PolarHBondContact O-N 2.96Å
754	V	35.6	Very low	48.9	Very low	97 Å²	97	103.4 Å²	103.4	59%	0.588	53%	0.531	S	S	*	.	S	Bend	trans	-69.8	-13.9	172.4	179.4	0	0	0	0	111.7	I752	I752-V754 HydrophobicContact CG2-CG2 4.26Å; I752-V754 PolarHBondContact O-N 3.33Å
755	D	30.3	Very low	46.1	Very low	131 Å²	131	108.9 Å²	108.9	70%	0.701	57%	0.567	S	S	*	*	S	Bend	trans	-115	9.1	-161.1	-71	-19.6	0	0	0	117.8	H753	H753-D755 PolarHBondContact O-N 2.96Å
756	E	28.7	Very low	43.4	Very low	168 Å²	168	118.4 Å²	118.4	79%	0.785	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.1	10.1	179.5	-75.2	-161.9	160.2	0	0	116.1
757	L	26.8	Very low	40.7	Very low	148 Å²	148	126.5 Å²	126.5	78%	0.775	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.4	6.3	170.1	-78.2	165.9	0	0	0	114.5	D759	L757-D759 PolarHBondContact O-N 2.9Å
758	S	29.7	Very low	38	Very low	85 Å²	85	130.5 Å²	130.5	59%	0.594	66%	0.661	S	S	*	*	S	Bend	trans	-76.9	109.8	162.2	68	0	0	0	0	108.7	K760	S758-K760 PolarHBondContact O-N 3.07Å
759	D	31.6	Very low	35.7	Very low	137 Å²	137	136.8 Å²	136.8	73%	0.733	70%	0.699	S	S	*	*			trans	-36.2	128.2	174	-81.1	-41.6	0	0	0	112.4	L757 N761 S762	L757-D759 PolarHBondContact O-N 2.9Å; D759-N761 PolarHBondContact O-N 2.92Å; D759-S762 PolarHBondContact O-N 2.8Å
760	K	35.9	Very low	33.3	Very low	211 Å²	211	142.9 Å²	142.9	92%	0.917	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.4	2.8	177.4	-72.4	-174	176.4	178.9	0	114.6	S758	S758-K760 PolarHBondContact O-N 3.07Å
761	N	34.9	Very low	31.2	Very low	150 Å²	150	137.5 Å²	137.5	80%	0.802	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.3	1.8	-178	-69.8	-9.9	0	0	0	114.5	D759 T763	D759-N761 PolarHBondContact O-N 2.92Å; N761-T763 PolarHBondContact O-N 2.94Å
762	S	29.5	Very low	29.9	Very low	70 Å²	70	140.6 Å²	140.6	49%	0.49	73%	0.732	S	S	.	*			trans	-84.9	111.5	173.7	69.6	0	0	0	0	111.6	D759 I764	D759-S762 PolarHBondContact O-N 2.8Å; S762-I764 PolarHBondContact O-N 3.46Å
763	T	30.3	Very low	28.8	Very low	146 Å²	146	144.9 Å²	144.9	90%	0.896	75%	0.75	S	S	*	*			trans	-73.7	49.2	174.3	42.7	0	0	0	0	112.9	N761	N761-T763 PolarHBondContact O-N 2.94Å
764	I	31.4	Very low	28.2	Very low	140 Å²	140	145.5 Å²	145.5	72%	0.718	76%	0.762	S	S	*	*			trans	-101.5	122.7	172.9	-57.4	177	0	0	0	108.4	S762 K766	S762-I764 PolarHBondContact O-N 3.46Å; I764-K766 PolarHBondContact O-N 3.19Å
765	P	25	Very low	27.8	Very low	117 Å²	117	144.3 Å²	144.3	76%	0.76	76%	0.758	S	S	*	*			trans	-65.7	132	-171.9	-15.3	27.5	0	0	0	111.8	R767	P765-R767 PolarHBondContact O-N 3.47Å
766	K	26.4	Very low	27.7	Very low	199 Å²	199	145.7 Å²	145.7	87%	0.865	77%	0.765	S	S	*	*			trans	-48	103.3	173.1	-64.9	176.8	178.3	-179.9	0	110.4	I764 N768	I764-K766 PolarHBondContact O-N 3.19Å; K766-N768 PolarHBondContact O-N 3.44Å
767	R	23.3	Very low	27.9	Very low	240 Å²	240	145.1 Å²	145.1	91%	0.906	76%	0.762	S	S	*	*			trans	-71.3	109.6	167.2	-121.7	178.1	-178.7	167.8	0.8	106.8	P765 V769	P765-R767 PolarHBondContact O-N 3.47Å; R767-V769 VanDerWaalsContact C-N 3.34Å; R767-V769 PolarHBondContact O-N 2.88Å
768	N	21.4	Very low	28.4	Very low	133 Å²	133	141.6 Å²	141.6	71%	0.711	74%	0.741	S	S	*	*			trans	-57.2	93.2	173.3	-75.1	-26	0	0	0	110	K766 Y770	K766-N768 PolarHBondContact O-N 3.44Å; N768-Y770 HydrophobicContact CB-CD2 4.48Å; N768-Y770 PolarHBondContact O-N 3.1Å
769	V	27.9	Very low	29	Very low	138 Å²	138	144 Å²	144	84%	0.836	75%	0.747	S	S	*	*			trans	-88.8	58.4	157.4	-171	0	0	0	0	107.1	R767	R767-V769 VanDerWaalsContact C-N 3.34Å; R767-V769 PolarHBondContact O-N 2.88Å
770	Y	23.3	Very low	30	Very low	217 Å²	217	138.6 Å²	138.6	85%	0.851	72%	0.724	S	S	*	*			trans	-94.8	91.8	162.3	-84.3	-76.4	0	0	0	106.5	N768	N768-Y770 HydrophobicContact CB-CD2 4.48Å; N768-Y770 PolarHBondContact O-N 3.1Å
771	G	22.7	Very low	31.2	Very low	55 Å²	55	130.5 Å²	130.5	57%	0.567	69%	0.689	S	S	*	*			trans	-178.2	61.9	-177.6	0	0	0	0	0	112.6
772	N	25.9	Very low	32.4	Very low	156 Å²	156	127.9 Å²	127.9	83%	0.834	68%	0.678	S	S	*	*	S	Bend	trans	163.1	109.6	134	-80.1	-21.6	0	0	0	108.7	V774	N772-V774 PolarHBondContact O-N 2.78Å
773	Q	24.7	Very low	33.9	Very low	183 Å²	183	125.1 Å²	125.1	86%	0.855	66%	0.658	S	S	*	*			trans	26.1	97.2	151.9	-62	175.3	-1.7	0	0	114.4	S775	Q773-S775 PolarHBondContact O-N 2.8Å
774	V	27.1	Very low	35.7	Very low	134 Å²	134	120.9 Å²	120.9	81%	0.812	63%	0.629	S	S	*	*			trans	-57.6	88.1	161.9	-176.4	0	0	0	0	106.8	N772 N776	N772-V774 PolarHBondContact O-N 2.78Å; V774-N776 PolarHBondContact O-N 2.98Å
775	S	27.6	Very low	37.5	Very low	72 Å²	72	117 Å²	117	50%	0.503	61%	0.606	S	S	.	*			trans	-58.3	118.9	161.4	55.8	0	0	0	0	105.4	Q773 H777	Q773-S775 PolarHBondContact O-N 2.8Å; S775-H777 WeakPolarHBondContact CB-ND1 3.31Å; S775-H777 PolarHBondContact O-N 3.36Å; S775-H777 PolarHBondContact OG-ND1 3.29Å
776	N	27.8	Very low	39.7	Very low	160 Å²	160	115 Å²	115	86%	0.856	58%	0.583	S	S	*	*			trans	-65	57	172.8	-72.2	-26.3	0	0	0	110.4	V774 F778	V774-N776 PolarHBondContact O-N 2.98Å; N776-F778 PolarHBondContact O-N 3.02Å
777	H	33.4	Very low	42.1	Very low	156 Å²	156	105.9 Å²	105.9	72%	0.722	54%	0.544	S	S	*	.			trans	-72	111.8	169.4	-79.2	91	0	0	0	106.5	S775 D779	S775-H777 WeakPolarHBondContact CB-ND1 3.31Å; S775-H777 PolarHBondContact O-N 3.36Å; S775-H777 PolarHBondContact OG-ND1 3.29Å; H777-D779 PolarHBondContact O-N 3.45Å
778	F	37	Very low	44.8	Very low	75 Å²	75	94.6 Å²	94.6	33%	0.329	50%	0.501	S	S	.	.			trans	-62.4	99.8	168.9	-179.9	-94.1	0	0	0	108	N776 G780 F781 E845	N776-F778 PolarHBondContact O-N 3.02Å; F778-G780 VanDerWaalsContact CE1-C 3.43Å; F778-G780 VanDerWaalsContact CE1-CA 3.49Å; F778-G780 WeakPolarHBondContact CE1-O 3.42Å; F778-G780 PolarHBondContact O-N 3.43Å; F778-F781 WeakPolarHBondContact CE1-O 2.94Å; F778-E845 HydrophobicContact CD2-CB 4.22Å; F778-E845 WeakPolarHBondContact CD2-O 3.46Å; F778-E845 HydrophobicContact CE2-CB 4.19Å
779	D	42.7	Very low	47.4	Very low	134 Å²	134	88.4 Å²	88.4	72%	0.717	47%	0.469	S	S	*	.			trans	-87.3	22.5	175.1	-141	15.3	0	0	0	111.3	R721 H777	R721-D779 PolarHBondContact NH1-O 3.44Å; H777-D779 PolarHBondContact O-N 3.45Å
780	G	52.7	Low	50	Low	24 Å²	24	82.2 Å²	82.2	25%	0.247	43%	0.432	C	S	.	.	S	Bend	trans	-89.4	168.7	-179.5	0	0	0	0	0	112.5	F778	F778-G780 VanDerWaalsContact CE1-C 3.43Å; F778-G780 VanDerWaalsContact CE1-CA 3.49Å; F778-G780 WeakPolarHBondContact CE1-O 3.42Å; F778-G780 PolarHBondContact O-N 3.43Å
781	F	61.1	Low	53	Low	42 Å²	42	71.9 Å²	71.9	18%	0.184	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-65.7	135.7	173.1	-60.1	-72.2	0	0	0	111.3	R721 P722 F724 F727 M748 F778 L783	R721-F781 HydrophobicContact CG-CZ 4.11Å; R721-F781 VanDerWaalsContact CZ-CE2 3.41Å; P722-F781 VanDerWaalsContact O-CZ 3.23Å; P722-F781 WeakPolarHBondContact O-CZ 3.41Å; F724-F781 HydrophobicContact CB-CB 4.17Å; F724-F781 HydrophobicContact CB-CD1 3.6Å; F724-F781 HydrophobicContact CB-CE1 4.12Å; F724-F781 HydrophobicContact CB-CG 3.91Å; F724-F781 HydrophobicContact CD2-CB 3.31Å; F724-F781 HydrophobicContact CD2-CD1 4.25Å; F724-F781 HydrophobicContact CD2-CD2 4.08Å; F724-F781 AromaticContact CD2-CG 3.64Å; F724-F781 HydrophobicContact CD2-CG 3.64Å; F724-F781 HydrophobicContact CE2-CB 4Å; F724-F781 HydrophobicContact CG-CB 4.04Å; F724-F781 HydrophobicContact CG-CD1 4.38Å; F724-F781 HydrophobicContact CG-CG 4.22Å; F727-F781 HydrophobicContact CD2-CD2 4.39Å; F727-F781 AromaticContact CD2-CE2 3.66Å; F727-F781 HydrophobicContact CD2-CE2 3.66Å; F727-F781 HydrophobicContact CD2-CZ 4.1Å; F727-F781 AromaticContact CE2-CE2 3.63Å; F727-F781 HydrophobicContact CE2-CE2 3.63Å; F727-F781 AromaticContact CE2-CZ 3.9Å; F727-F781 HydrophobicContact CE2-CZ 3.9Å; M748-F781 HydrophobicContact CB-CD2 4.49Å; M748-F781 HydrophobicContact CG-CD2 4.21Å; M748-F781 HydrophobicContact CG-CE2 4.25Å; M748-F781 HydrophobicContact SD-CD2 4.15Å; F778-F781 WeakPolarHBondContact CE1-O 2.94Å; F781-L783 PolarHBondContact O-N 2.92Å
782	V	58.4	Low	56	Low	95 Å²	95	72.4 Å²	72.4	58%	0.576	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-58.3	131	165.4	179.6	0	0	0	0	108.2	D784	V782-D784 PolarHBondContact O-N 2.93Å
783	L	62.7	Low	58.7	Low	12 Å²	12	66 Å²	66	6%	0.063	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-79.4	118.6	-174.7	-58.7	-166.1	0	0	0	111.3	F781 R785 I788 W842 L843 S846 V848	F781-L783 PolarHBondContact O-N 2.92Å; L783-R785 PolarHBondContact O-N 2.76Å; L783-I788 HydrophobicContact CB-CD1 3.71Å; L783-I788 HydrophobicContact CB-CG1 4.25Å; L783-I788 HydrophobicContact CD1-CD1 3.86Å; L783-I788 HydrophobicContact CD1-CG1 4.32Å; L783-I788 HydrophobicContact CG-CD1 4.44Å; L783-W842 HydrophobicContact CD1-CD2 4.25Å; L783-W842 HydrophobicContact CD1-CE3 4.24Å; L783-W842 HydrophobicContact CD1-CH2 4.27Å; L783-W842 HydrophobicContact CD1-CZ2 4.28Å; L783-W842 HydrophobicContact CD1-CZ3 4.24Å; L783-W842 HydrophobicContact CD2-CD2 4.32Å; L783-W842 VanDerWaalsContact CD2-CE2 3.49Å; L783-W842 HydrophobicContact CD2-CH2 3.5Å; L783-W842 VanDerWaalsContact CD2-CH2 3.5Å; L783-W842 HydrophobicContact CD2-CZ2 3.05Å; L783-W842 HydrophobicContact CD2-CZ3 4.26Å; L783-W842 HydrophobicContact CG-CZ2 4.31Å; L783-L843 HydrophobicContact CD1-CD2 4.18Å; L783-S846 WeakPolarHBondContact CD1-OG 3.32Å; L783-V848 HydrophobicContact CD1-CG2 3.77Å; L783-V848 HydrophobicContact CG-CG2 4.37Å
784	D	67.7	Low	61.6	Low	56 Å²	56	57.3 Å²	57.3	30%	0.299	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-65.7	127.8	168.7	-80.4	-19.7	0	0	0	110.8	F724 V782 R786 V787 I788	F724-D784 HydrophobicContact CE1-CB 3.57Å; F724-D784 VanDerWaalsContact CE1-CG 3.42Å; F724-D784 VanDerWaalsContact CE1-OD2 3.22Å; F724-D784 WeakPolarHBondContact CE1-OD2 3.45Å; F724-D784 HydrophobicContact CZ-CB 4.07Å; V782-D784 PolarHBondContact O-N 2.93Å; D784-R786 PolarHBondContact O-N 2.83Å; D784-V787 HydrophobicContact CB-CG2 4.09Å; D784-V787 PolarHBondContact O-N 2.91Å; D784-I788 PolarHBondContact O-N 3.43Å
785	R	69.2	Low	64.5	Low	60 Å²	60	51.3 Å²	51.3	23%	0.226	27%	0.269	C	S	.	.	H	α-helix	trans	-50	-33.7	172.8	-175.7	174.2	167	172.4	-2.1	113	A276 L783 A789 P851	A276-R785 PolarHBondContact O-NH2 3.12Å; L783-R785 PolarHBondContact O-N 2.76Å; R785-A789 VanDerWaalsContact O-CB 3.27Å; R785-A789 WeakPolarHBondContact O-CB 3.36Å; R785-A789 PolarHBondContact O-N 3.35Å; R785-P851 HydrophobicContact CG-CB 3.9Å; R785-P851 HydrophobicContact CG-CG 4.41Å
786	R	71.6	Confident	67.2	Low	75 Å²	75	49.7 Å²	49.7	28%	0.283	26%	0.264	S	S	.	.	H	α-helix	trans	-63.3	-43.6	175.4	-77	-169.2	162	158.2	11.3	114.1	R249 T250 I252 L277 D784 A789 S790	R249-R786 PolarHBondContact O-NH1 3.2Å; R249-R786 PolarHBondContact O-NH2 3.33Å; T250-R786 VanDerWaalsContact C-NE 3.3Å; T250-R786 VanDerWaalsContact O-CD 3.24Å; T250-R786 WeakPolarHBondContact O-CD 3.38Å; T250-R786 WeakPolarHBondContact O-CG 3.42Å; T250-R786 PolarHBondContact O-NE 2.9Å; T250-R786 PolarHBondContact O-NH2 3.13Å; I252-R786 PolarHBondContact O-NH2 3Å; L277-R786 HydrophobicContact CD1-CG 3.86Å; L277-R786 HydrophobicContact CD2-CB 4.41Å; L277-R786 HydrophobicContact CD2-CG 3.61Å; L277-R786 HydrophobicContact CG-CG 4.4Å; D784-R786 PolarHBondContact O-N 2.83Å; R786-A789 PolarHBondContact O-N 3.44Å; R786-S790 WeakPolarHBondContact O-CB 3.14Å; R786-S790 PolarHBondContact O-N 3.09Å
787	V	76.4	Confident	69.9	Low	7 Å²	7	42.7 Å²	42.7	4%	0.042	23%	0.226	C	C	.	.	H	α-helix	trans	-68.4	-43.8	-177.1	177	0	0	0	0	109.2	F724 S728 L731 D784 S790 I791	F724-V787 HydrophobicContact CE1-CG2 3.92Å; F724-V787 HydrophobicContact CZ-CB 4.29Å; F724-V787 HydrophobicContact CZ-CG2 3.87Å; S728-V787 WeakPolarHBondContact OG-CG2 3.44Å; L731-V787 HydrophobicContact CB-CG1 4.25Å; L731-V787 HydrophobicContact CD1-CG1 3.81Å; D784-V787 HydrophobicContact CB-CG2 4.09Å; D784-V787 PolarHBondContact O-N 2.91Å; V787-S790 PolarHBondContact O-N 3.37Å; V787-I791 HydrophobicContact CG1-CD1 3.85Å; V787-I791 VanDerWaalsContact O-CG1 3.27Å; V787-I791 WeakPolarHBondContact O-CG1 3.45Å; V787-I791 PolarHBondContact O-N 3.5Å
788	I	79.4	Confident	72.4	Confident	3 Å²	3	35.2 Å²	35.2	2%	0.015	19%	0.192	C	C	.	.	H	α-helix	trans	-59.4	-53.1	174.7	-61.5	179	0	0	0	110.2	L783 D784 S790 I791 D792 L843 V848 P851	L783-I788 HydrophobicContact CB-CD1 3.71Å; L783-I788 HydrophobicContact CB-CG1 4.25Å; L783-I788 HydrophobicContact CD1-CD1 3.86Å; L783-I788 HydrophobicContact CD1-CG1 4.32Å; L783-I788 HydrophobicContact CG-CD1 4.44Å; D784-I788 PolarHBondContact O-N 3.43Å; I788-S790 VanDerWaalsContact C-N 3.3Å; I788-S790 PolarHBondContact O-N 3.36Å; I788-I791 PolarHBondContact O-N 3.26Å; I788-D792 PolarHBondContact O-N 3.42Å; I788-L843 HydrophobicContact CD1-CD2 4.05Å; I788-L843 HydrophobicContact CG1-CD2 4.38Å; I788-L843 HydrophobicContact CG2-CD2 4.35Å; I788-V848 HydrophobicContact CD1-CB 4.44Å; I788-V848 HydrophobicContact CD1-CG1 3.27Å; I788-V848 HydrophobicContact CD1-CG2 4.28Å; I788-P851 HydrophobicContact CG2-CG 4.14Å
789	A	77	Confident	74.7	Confident	3 Å²	3	37 Å²	37	3%	0.025	20%	0.196	C	C	.	.	H	α-helix	trans	-57.1	-43.6	178.5	0	0	0	0	0	111.8	L273 A276 R785 R786 I791 D792 I793	L273-A789 HydrophobicContact CD2-CB 4.23Å; A276-A789 HydrophobicContact CB-CB 4.07Å; R785-A789 VanDerWaalsContact O-CB 3.27Å; R785-A789 WeakPolarHBondContact O-CB 3.36Å; R785-A789 PolarHBondContact O-N 3.35Å; R786-A789 PolarHBondContact O-N 3.44Å; A789-I791 VanDerWaalsContact C-N 3.34Å; A789-I791 PolarHBondContact O-N 2.84Å; A789-D792 PolarHBondContact O-N 2.84Å; A789-I793 WeakPolarHBondContact O-CB 2.95Å; A789-I793 VanDerWaalsContact O-CD1 3.26Å; A789-I793 WeakPolarHBondContact O-CD1 3.11Å; A789-I793 WeakPolarHBondContact O-CG1 3.42Å; A789-I793 PolarHBondContact O-N 3.23Å
790	S	82.2	Confident	76.6	Confident	8 Å²	8	33.2 Å²	33.2	6%	0.056	17%	0.174	C	C	.	.	H	α-helix	trans	-61.8	-40.8	176.4	-177.8	0	0	0	0	112.5	K269 R786 V787 I788 D794	K269-S790 WeakPolarHBondContact CE-OG 3.23Å; K269-S790 PolarHBondContact NZ-OG 3.43Å; R786-S790 WeakPolarHBondContact O-CB 3.14Å; R786-S790 PolarHBondContact O-N 3.09Å; V787-S790 PolarHBondContact O-N 3.37Å; I788-S790 VanDerWaalsContact C-N 3.3Å; I788-S790 PolarHBondContact O-N 3.36Å; S790-D794 PolarHBondContact O-N 3Å
791	I	85.5	Confident	78.1	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-69.4	-44.7	178.9	-70.4	167.8	0	0	0	110.5	L731 V787 I788 A789 I793 D794 I795 F835 Y839 W842	L731-I791 HydrophobicContact CD1-CD1 4.31Å; V787-I791 HydrophobicContact CG1-CD1 3.85Å; V787-I791 VanDerWaalsContact O-CG1 3.27Å; V787-I791 WeakPolarHBondContact O-CG1 3.45Å; V787-I791 PolarHBondContact O-N 3.5Å; I788-I791 PolarHBondContact O-N 3.26Å; A789-I791 VanDerWaalsContact C-N 3.34Å; A789-I791 PolarHBondContact O-N 2.84Å; I791-I793 VanDerWaalsContact C-N 3.28Å; I791-I793 PolarHBondContact O-N 2.84Å; I791-D794 WeakPolarHBondContact O-CB 3.43Å; I791-D794 PolarHBondContact O-N 3.48Å; I791-D794 VanDerWaalsContact O-N 3.17Å; I791-I795 HydrophobicContact CG2-CD1 3.8Å; I791-I795 HydrophobicContact CG2-CG1 4.36Å; I791-I795 VanDerWaalsContact O-CG1 3.26Å; I791-I795 WeakPolarHBondContact O-CG1 3.07Å; I791-I795 PolarHBondContact O-N 3.26Å; I791-F835 HydrophobicContact CG2-CE1 4.29Å; I791-F835 HydrophobicContact CG2-CZ 3.71Å; I791-Y839 HydrophobicContact CB-CE2 4.29Å; I791-Y839 HydrophobicContact CD1-CE2 4.21Å; I791-Y839 HydrophobicContact CG2-CD2 4.06Å; I791-Y839 HydrophobicContact CG2-CE1 4.09Å; I791-Y839 HydrophobicContact CG2-CE2 3.62Å; I791-Y839 HydrophobicContact CG2-CG 4.48Å; I791-W842 HydrophobicContact CD1-CZ3 4.28Å
792	D	85.1	Confident	79.2	Confident	66 Å²	66	32.1 Å²	32.1	35%	0.353	16%	0.164	S	C	.	.	H	α-helix	trans	-62.7	-37.1	179.1	-73.7	-20.3	0	0	0	111.7	I788 A789 I795 G796 Y839	I788-D792 PolarHBondContact O-N 3.42Å; A789-D792 PolarHBondContact O-N 2.84Å; D792-I795 WeakPolarHBondContact O-CB 3.15Å; D792-I795 PolarHBondContact O-N 2.99Å; D792-G796 PolarHBondContact O-N 3.05Å; D792-Y839 VanDerWaalsContact CG-OH 3.32Å; D792-Y839 VanDerWaalsContact OD1-CE1 3.31Å; D792-Y839 WeakPolarHBondContact OD1-CE1 3.47Å; D792-Y839 PolarHBondContact OD1-OH 3.47Å
793	I	83.3	Confident	80.5	Confident	21 Å²	21	33.9 Å²	33.9	11%	0.108	18%	0.175	C	C	.	.	H	α-helix	trans	-67.3	-43.4	173.6	-68.3	162.4	0	0	0	111.1	K269 A272 L273 A276 A789 I791 I795 G796 L797	K269-I793 HydrophobicContact CB-CG2 4.25Å; K269-I793 HydrophobicContact CG-CG2 3.9Å; A272-I793 HydrophobicContact CB-CB 4.48Å; A272-I793 HydrophobicContact CB-CD1 3.74Å; A272-I793 HydrophobicContact CB-CG1 3.85Å; A272-I793 HydrophobicContact CB-CG2 3.77Å; L273-I793 VanDerWaalsContact CA-CD1 3.47Å; L273-I793 HydrophobicContact CB-CD1 4.06Å; L273-I793 HydrophobicContact CD2-CD1 3.64Å; L273-I793 HydrophobicContact CG-CD1 3.54Å; A276-I793 HydrophobicContact CB-CD1 4.38Å; A789-I793 WeakPolarHBondContact O-CB 2.95Å; A789-I793 VanDerWaalsContact O-CD1 3.26Å; A789-I793 WeakPolarHBondContact O-CD1 3.11Å; A789-I793 WeakPolarHBondContact O-CG1 3.42Å; A789-I793 PolarHBondContact O-N 3.23Å; I791-I793 VanDerWaalsContact C-N 3.28Å; I791-I793 PolarHBondContact O-N 2.84Å; I793-I795 VanDerWaalsContact C-N 3.27Å; I793-I795 PolarHBondContact O-N 3.01Å; I793-G796 PolarHBondContact O-N 3.35Å; I793-G796 VanDerWaalsContact O-N 3.16Å; I793-L797 HydrophobicContact CG2-CD1 3.99Å; I793-L797 HydrophobicContact CG2-CG 4.27Å; I793-L797 WeakPolarHBondContact O-CG 3.31Å; I793-L797 PolarHBondContact O-N 3.27Å
794	D	86	Confident	81.4	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-59.2	-42.1	174.8	-70.1	-23.5	0	0	0	110.7	K269 W738 K741 S790 I791 F798	K269-D794 VanDerWaalsContact CD-OD1 3.3Å; K269-D794 WeakPolarHBondContact CD-OD1 3.36Å; K269-D794 WeakPolarHBondContact CE-OD1 3.41Å; K269-D794 VanDerWaalsContact NZ-CG 3.29Å; K269-D794 IonicContact NZ-OD1 2.78Å; K269-D794 PolarHBondContact NZ-OD1 3.31Å; K269-D794 IonicContact NZ-OD2 3.35Å; K269-D794 PolarHBondContact NZ-OD2 3.5Å; K269-D794 VanDerWaalsContact NZ-OD2 3.07Å; W738-D794 HydrophobicContact CH2-CB 4.06Å; K741-D794 IonicContact NZ-OD2 3.99Å; K741-D794 PolarHBondContact NZ-OD2 3.16Å; S790-D794 PolarHBondContact O-N 3Å; I791-D794 WeakPolarHBondContact O-CB 3.43Å; I791-D794 PolarHBondContact O-N 3.48Å; I791-D794 VanDerWaalsContact O-N 3.17Å; D794-F798 VanDerWaalsContact O-CB 3.28Å; D794-F798 WeakPolarHBondContact O-CB 3.36Å; D794-F798 PolarHBondContact O-N 3.07Å
795	I	87.4	Confident	81.9	Confident	9 Å²	9	39.3 Å²	39.3	5%	0.046	21%	0.212	C	C	.	.	H	α-helix	trans	-61.7	-44.7	175.2	-68.2	166.2	0	0	0	110.7	W738 I791 D792 I793 R799 F832 F835 Y836 Y839	W738-I795 HydrophobicContact CH2-CG1 4.23Å; W738-I795 HydrophobicContact CZ3-CG1 4.14Å; I791-I795 HydrophobicContact CG2-CD1 3.8Å; I791-I795 HydrophobicContact CG2-CG1 4.36Å; I791-I795 VanDerWaalsContact O-CG1 3.26Å; I791-I795 WeakPolarHBondContact O-CG1 3.07Å; I791-I795 PolarHBondContact O-N 3.26Å; D792-I795 WeakPolarHBondContact O-CB 3.15Å; D792-I795 PolarHBondContact O-N 2.99Å; I793-I795 VanDerWaalsContact C-N 3.27Å; I793-I795 PolarHBondContact O-N 3.01Å; I795-R799 WeakPolarHBondContact O-CG 3.31Å; I795-R799 PolarHBondContact O-N 3.16Å; I795-R799 VanDerWaalsContact O-N 3.07Å; I795-F832 HydrophobicContact CB-CE2 4.42Å; I795-F832 HydrophobicContact CG1-CE2 4.14Å; I795-F832 HydrophobicContact CG2-CE2 4.07Å; I795-F832 HydrophobicContact CG2-CZ 4Å; I795-F835 HydrophobicContact CD1-CE1 4.02Å; I795-F835 HydrophobicContact CG1-CE1 4.11Å; I795-Y836 HydrophobicContact CD1-CD2 4.45Å; I795-Y839 HydrophobicContact CD1-CD1 3.79Å; I795-Y839 HydrophobicContact CD1-CE1 3.64Å
796	G	84.6	Confident	82.4	Confident	38 Å²	38	39.4 Å²	39.4	39%	0.392	22%	0.216	S	C	.	.	H	α-helix	trans	-62.3	-49.1	178.6	0	0	0	0	0	112.7	D792 I793 F798 R799 E800	D792-G796 PolarHBondContact O-N 3.05Å; I793-G796 PolarHBondContact O-N 3.35Å; I793-G796 VanDerWaalsContact O-N 3.16Å; G796-F798 PolarHBondContact O-N 3.07Å; G796-R799 PolarHBondContact O-N 2.98Å; G796-E800 PolarHBondContact O-N 3.07Å
797	L	84.1	Confident	82.8	Confident	12 Å²	12	36.1 Å²	36.1	6%	0.063	20%	0.204	C	C	.	.	H	α-helix	trans	-62.9	-41.6	178.2	-68.7	176.1	0	0	0	111.7	L265 R268 K269 F736 I793 R799 E800 L801	L265-L797 HydrophobicContact CD2-CD2 3.89Å; R268-L797 HydrophobicContact CB-CD2 4.44Å; K269-L797 HydrophobicContact CB-CD1 3.76Å; K269-L797 HydrophobicContact CG-CD1 4.48Å; F736-L797 HydrophobicContact CE1-CB 4.36Å; F736-L797 HydrophobicContact CZ-CB 4.17Å; I793-L797 HydrophobicContact CG2-CD1 3.99Å; I793-L797 HydrophobicContact CG2-CG 4.27Å; I793-L797 WeakPolarHBondContact O-CG 3.31Å; I793-L797 PolarHBondContact O-N 3.27Å; L797-R799 PolarHBondContact O-N 3.01Å; L797-E800 PolarHBondContact O-N 3.31Å; L797-L801 WeakPolarHBondContact O-CG 2.95Å; L797-L801 PolarHBondContact O-N 3.5Å
798	F	86.3	Confident	82.8	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.6	-42	177.7	-175.6	-102.3	0	0	0	112.6	F736 W738 D794 G796 E800 L801 L802 I807 A828 F832	F736-F798 HydrophobicContact CB-CD2 4.45Å; F736-F798 HydrophobicContact CD1-CB 4.19Å; F736-F798 HydrophobicContact CD1-CD2 4.14Å; F736-F798 HydrophobicContact CD2-CD2 4.33Å; F736-F798 HydrophobicContact CE1-CB 3.92Å; F736-F798 HydrophobicContact CE1-CD2 4.47Å; F736-F798 HydrophobicContact CG-CD2 4.07Å; F736-F798 HydrophobicContact CZ-CB 4.41Å; W738-F798 AromaticContact CE2-CD2 3.96Å; W738-F798 AromaticContact CE2-CG 3.99Å; W738-F798 HydrophobicContact CH2-CB 4.24Å; W738-F798 HydrophobicContact CZ2-CB 3.56Å; W738-F798 AromaticContact CZ2-CD1 3.95Å; W738-F798 HydrophobicContact CZ2-CD1 3.95Å; W738-F798 AromaticContact CZ2-CD2 3.73Å; W738-F798 HydrophobicContact CZ2-CD2 3.73Å; W738-F798 HydrophobicContact CZ2-CE2 4.4Å; W738-F798 AromaticContact CZ2-CG 3.48Å; W738-F798 HydrophobicContact CZ2-CG 3.48Å; W738-F798 VanDerWaalsContact CZ2-CG 3.48Å; W738-F798 AromaticContact NE1-CD2 3.55Å; W738-F798 AromaticContact NE1-CE1 3.85Å; W738-F798 AromaticContact NE1-CE2 3.32Å; W738-F798 VanDerWaalsContact NE1-CE2 3.32Å; W738-F798 AromaticContact NE1-CG 3.93Å; W738-F798 AromaticContact NE1-CZ 3.49Å; D794-F798 VanDerWaalsContact O-CB 3.28Å; D794-F798 WeakPolarHBondContact O-CB 3.36Å; D794-F798 PolarHBondContact O-N 3.07Å; G796-F798 PolarHBondContact O-N 3.07Å; F798-E800 VanDerWaalsContact C-N 3.35Å; F798-E800 PolarHBondContact O-N 3.32Å; F798-L801 PolarHBondContact O-N 3.06Å; F798-L802 HydrophobicContact CD1-CD1 3.72Å; F798-L802 HydrophobicContact CD1-CG 4.37Å; F798-L802 HydrophobicContact CE1-CD1 3.4Å; F798-L802 HydrophobicContact CE1-CG 4.1Å; F798-L802 HydrophobicContact CZ-CD1 4.09Å; F798-L802 HydrophobicContact CZ-CG 4.38Å; F798-L802 WeakPolarHBondContact O-CG 3.11Å; F798-L802 PolarHBondContact O-N 3.18Å; F798-I807 HydrophobicContact CD2-CD1 3.61Å; F798-I807 HydrophobicContact CE2-CD1 3.6Å; F798-I807 HydrophobicContact CE2-CG2 4.49Å; F798-I807 HydrophobicContact CG-CD1 4.49Å; F798-I807 HydrophobicContact CZ-CD1 4.47Å; F798-A828 HydrophobicContact CE2-CB 4.27Å; F798-A828 HydrophobicContact CZ-CB 4.26Å; F798-F832 HydrophobicContact CD1-CB 4.42Å; F798-F832 HydrophobicContact CD1-CD1 4.3Å; F798-F832 AromaticContact CD1-CD2 3.65Å; F798-F832 HydrophobicContact CD1-CD2 3.65Å; F798-F832 AromaticContact CD1-CE2 3.89Å; F798-F832 HydrophobicContact CD1-CE2 3.89Å; F798-F832 AromaticContact CD1-CG 3.86Å; F798-F832 HydrophobicContact CD1-CG 3.86Å; F798-F832 HydrophobicContact CD1-CZ 4.32Å; F798-F832 HydrophobicContact CE1-CB 3.66Å; F798-F832 AromaticContact CE1-CD1 3.96Å; F798-F832 HydrophobicContact CE1-CD1 3.96Å; F798-F832 AromaticContact CE1-CD2 3.77Å; F798-F832 HydrophobicContact CE1-CD2 3.77Å; F798-F832 HydrophobicContact CE1-CE2 4.39Å; F798-F832 AromaticContact CE1-CG 3.51Å; F798-F832 HydrophobicContact CE1-CG 3.51Å; F798-F832 HydrophobicContact CZ-CB 4.15Å; F798-F832 HydrophobicContact CZ-CG 4.45Å
799	R	85.8	Confident	82.5	Confident	111 Å²	111	43.7 Å²	43.7	42%	0.419	24%	0.243	S	C	.	.	H	α-helix	trans	-62.5	-41.6	175.1	-75	175.3	177.8	-173.6	0.4	112.1	I795 G796 L797 L801 L802 V803 F832 Y836	I795-R799 WeakPolarHBondContact O-CG 3.31Å; I795-R799 PolarHBondContact O-N 3.16Å; I795-R799 VanDerWaalsContact O-N 3.07Å; G796-R799 PolarHBondContact O-N 2.98Å; L797-R799 PolarHBondContact O-N 3.01Å; R799-L801 VanDerWaalsContact C-N 3.33Å; R799-L801 PolarHBondContact O-N 3Å; R799-L802 PolarHBondContact O-N 3.02Å; R799-V803 WeakPolarHBondContact O-CG2 3.39Å; R799-V803 PolarHBondContact O-N 3.23Å; R799-F832 HydrophobicContact CG-CZ 4.45Å; R799-Y836 VanDerWaalsContact NH2-CZ 3.28Å; R799-Y836 PolarHBondContact NH2-OH 3.43Å
800	E	83.2	Confident	82.4	Confident	55 Å²	55	50.8 Å²	50.8	26%	0.257	28%	0.281	S	S	.	.	H	α-helix	trans	-61	-43	176.6	-170.8	-168.5	143.6	0	0	111.7	R268 G796 L797 F798 V803 K804	R268-E800 IonicContact CZ-OE1 2.98Å; R268-E800 IonicContact CZ-OE2 3.14Å; R268-E800 IonicContact NH1-OE1 2.7Å; R268-E800 PolarHBondContact NH1-OE1 2.87Å; R268-E800 IonicContact NH1-OE2 2.66Å; R268-E800 PolarHBondContact NH1-OE2 3.45Å; R268-E800 VanDerWaalsContact NH2-CD 3.33Å; R268-E800 IonicContact NH2-OE1 3.19Å; R268-E800 PolarHBondContact NH2-OE1 3.11Å; R268-E800 IonicContact NH2-OE2 2.68Å; R268-E800 PolarHBondContact NH2-OE2 2.88Å; G796-E800 PolarHBondContact O-N 3.07Å; L797-E800 PolarHBondContact O-N 3.31Å; F798-E800 VanDerWaalsContact C-N 3.35Å; F798-E800 PolarHBondContact O-N 3.32Å; E800-V803 PolarHBondContact O-N 3.03Å; E800-K804 HydrophobicContact CG-CD 4.37Å; E800-K804 WeakPolarHBondContact O-CG 3.35Å; E800-K804 PolarHBondContact O-N 2.94Å; E800-K804 WeakPolarHBondContact OE1-CE 3.49Å; E800-K804 IonicContact OE1-NZ 2.73Å; E800-K804 PolarHBondContact OE1-NZ 3.13Å
801	L	84	Confident	81.8	Confident	5 Å²	5	51 Å²	51	3%	0.026	29%	0.285	C	S	.	.	H	α-helix	trans	-68.4	-33.9	179	-66.7	171.1	0	0	0	113.2	L265 F736 L797 F798 R799 G805 I806 I807	L265-L801 HydrophobicContact CD1-CD1 3.69Å; L265-L801 HydrophobicContact CD1-CD2 3.93Å; L265-L801 HydrophobicContact CD1-CG 4.32Å; L265-L801 HydrophobicContact CD2-CD1 4.48Å; F736-L801 HydrophobicContact CE2-CD1 3.61Å; F736-L801 HydrophobicContact CZ-CD1 3.84Å; L797-L801 WeakPolarHBondContact O-CG 2.95Å; L797-L801 PolarHBondContact O-N 3.5Å; F798-L801 PolarHBondContact O-N 3.06Å; R799-L801 VanDerWaalsContact C-N 3.33Å; R799-L801 PolarHBondContact O-N 3Å; L801-G805 PolarHBondContact O-N 3.19Å; L801-I806 HydrophobicContact CD2-CB 4.44Å; L801-I806 HydrophobicContact CD2-CD1 3.87Å; L801-I806 PolarHBondContact O-N 2.99Å; L801-I806 VanDerWaalsContact O-N 3.14Å; L801-I807 HydrophobicContact CB-CD1 3.54Å; L801-I807 HydrophobicContact CB-CG1 3.9Å; L801-I807 HydrophobicContact CD1-CD1 4.08Å; L801-I807 HydrophobicContact CG-CD1 4.48Å; L801-I807 PolarHBondContact O-N 3.04Å
802	L	83.9	Confident	81.3	Confident	38 Å²	38	53.8 Å²	53.8	20%	0.199	30%	0.304	C	S	.	.	H	α-helix	trans	-64.2	-45	170.7	-76	171.6	0	0	0	111.7	F798 R799 K804 G805 I807 M809 V829	F798-L802 HydrophobicContact CD1-CD1 3.72Å; F798-L802 HydrophobicContact CD1-CG 4.37Å; F798-L802 HydrophobicContact CE1-CD1 3.4Å; F798-L802 HydrophobicContact CE1-CG 4.1Å; F798-L802 HydrophobicContact CZ-CD1 4.09Å; F798-L802 HydrophobicContact CZ-CG 4.38Å; F798-L802 WeakPolarHBondContact O-CG 3.11Å; F798-L802 PolarHBondContact O-N 3.18Å; R799-L802 PolarHBondContact O-N 3.02Å; L802-K804 VanDerWaalsContact C-N 3.33Å; L802-K804 PolarHBondContact O-N 2.94Å; L802-G805 PolarHBondContact O-N 3.36Å; L802-G805 VanDerWaalsContact O-N 3.1Å; L802-I807 HydrophobicContact CD2-CB 3.82Å; L802-I807 HydrophobicContact CD2-CG2 3.68Å; L802-I807 HydrophobicContact CG-CB 4.41Å; L802-M809 HydrophobicContact CD2-SD 4.09Å; L802-V829 HydrophobicContact CD2-CG2 3.77Å
803	V	84.5	Confident	80.7	Confident	132 Å²	132	55.1 Å²	55.1	80%	0.8	32%	0.316	S	S	*	.	H	α-helix	trans	-64.8	-38	178.8	171.7	0	0	0	0	111.5	R799 E800 G805	R799-V803 WeakPolarHBondContact O-CG2 3.39Å; R799-V803 PolarHBondContact O-N 3.23Å; E800-V803 PolarHBondContact O-N 3.03Å; V803-G805 PolarHBondContact O-N 2.77Å
804	K	82.8	Confident	80.2	Confident	126 Å²	126	54.8 Å²	54.8	55%	0.548	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-7.8	175.1	-74.6	178	170.9	172.1	0	113.9	E800 L802 I806	E800-K804 HydrophobicContact CG-CD 4.37Å; E800-K804 WeakPolarHBondContact O-CG 3.35Å; E800-K804 PolarHBondContact O-N 2.94Å; E800-K804 WeakPolarHBondContact OE1-CE 3.49Å; E800-K804 IonicContact OE1-NZ 2.73Å; E800-K804 PolarHBondContact OE1-NZ 3.13Å; L802-K804 VanDerWaalsContact C-N 3.33Å; L802-K804 PolarHBondContact O-N 2.94Å; K804-I806 HydrophobicContact CB-CD1 4.15Å; K804-I806 HydrophobicContact CB-CG1 4.01Å; K804-I806 HydrophobicContact CD-CD1 4.39Å; K804-I806 PolarHBondContact O-N 3Å
805	G	78.8	Confident	79.2	Confident	57 Å²	57	61.9 Å²	61.9	59%	0.588	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	10.8	-178.6	0	0	0	0	0	114.7	L801 L802 V803 I807	L801-G805 PolarHBondContact O-N 3.19Å; L802-G805 PolarHBondContact O-N 3.36Å; L802-G805 VanDerWaalsContact O-N 3.1Å; V803-G805 PolarHBondContact O-N 2.77Å; G805-I807 VanDerWaalsContact C-N 3.34Å
806	I	79.6	Confident	78.1	Confident	62 Å²	62	62.5 Å²	62.5	32%	0.318	36%	0.357	S	S	.	.			trans	-72.4	-34.2	177.8	-57.6	178.7	0	0	0	110.1	L801 K804 P808 E818 T819	L801-I806 HydrophobicContact CD2-CB 4.44Å; L801-I806 HydrophobicContact CD2-CD1 3.87Å; L801-I806 PolarHBondContact O-N 2.99Å; L801-I806 VanDerWaalsContact O-N 3.14Å; K804-I806 HydrophobicContact CB-CD1 4.15Å; K804-I806 HydrophobicContact CB-CG1 4.01Å; K804-I806 HydrophobicContact CD-CD1 4.39Å; K804-I806 PolarHBondContact O-N 3Å; I806-P808 WeakPolarHBondContact O-CD 3.27Å; I806-E818 HydrophobicContact CG2-CB 4.49Å; I806-T819 HydrophobicContact CG2-CG2 4.33Å
807	I	79.7	Confident	77.1	Confident	6 Å²	6	65 Å²	65	3%	0.031	37%	0.369	C	S	.	.	S	Bend	trans	-94.8	114.3	173.4	-61.3	173.7	0	0	0	108.3	F798 L801 L802 G805 V824	F798-I807 HydrophobicContact CD2-CD1 3.61Å; F798-I807 HydrophobicContact CE2-CD1 3.6Å; F798-I807 HydrophobicContact CE2-CG2 4.49Å; F798-I807 HydrophobicContact CG-CD1 4.49Å; F798-I807 HydrophobicContact CZ-CD1 4.47Å; L801-I807 HydrophobicContact CB-CD1 3.54Å; L801-I807 HydrophobicContact CB-CG1 3.9Å; L801-I807 HydrophobicContact CD1-CD1 4.08Å; L801-I807 HydrophobicContact CG-CD1 4.48Å; L801-I807 PolarHBondContact O-N 3.04Å; L802-I807 HydrophobicContact CD2-CB 3.82Å; L802-I807 HydrophobicContact CD2-CG2 3.68Å; L802-I807 HydrophobicContact CG-CB 4.41Å; G805-I807 VanDerWaalsContact C-N 3.34Å; I807-V824 HydrophobicContact CD1-CG2 4.33Å; I807-V824 HydrophobicContact CG1-CG2 4.39Å; I807-V824 HydrophobicContact CG2-CG1 4.32Å
808	P	76	Confident	76.2	Confident	33 Å²	33	70.5 Å²	70.5	21%	0.214	39%	0.394	C	S	.	.			trans	-69.1	136.3	-178.7	25.7	-31.4	0	0	0	111.4	I806 D810 G811 S812 V814	I806-P808 WeakPolarHBondContact O-CD 3.27Å; P808-D810 PolarHBondContact O-N 3.25Å; P808-G811 PolarHBondContact O-N 3.14Å; P808-S812 WeakPolarHBondContact CB-OG 3.44Å; P808-S812 WeakPolarHBondContact CG-OG 3.44Å; P808-V814 HydrophobicContact CG-CG2 3.98Å
809	M	73.8	Confident	75.1	Confident	135 Å²	135	70.5 Å²	70.5	67%	0.665	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-21.7	177.3	-68.7	-67.1	-117.7	0	0	112.7	L802 G811 V829	L802-M809 HydrophobicContact CD2-SD 4.09Å; M809-G811 PolarHBondContact O-N 2.95Å; M809-V829 HydrophobicContact SD-CG1 4.48Å; M809-V829 HydrophobicContact SD-CG2 4.34Å
810	D	73	Confident	74	Confident	153 Å²	153	66.3 Å²	66.3	82%	0.818	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-8	-178.3	-57.6	-29.2	0	0	0	113.2	P808	P808-D810 PolarHBondContact O-N 3.25Å
811	G	69.7	Low	73.1	Confident	13 Å²	13	66.7 Å²	66.7	13%	0.134	40%	0.403	C	S	.	.			trans	85.5	11.1	175.5	0	0	0	0	0	115	P808 M809 P826 N827	P808-G811 PolarHBondContact O-N 3.14Å; M809-G811 PolarHBondContact O-N 2.95Å; G811-P826 WeakPolarHBondContact O-CA 3.12Å; G811-N827 PolarHBondContact O-N 2.55Å
812	S	76.7	Confident	72.5	Confident	58 Å²	58	67.3 Å²	67.3	41%	0.406	41%	0.406	S	S	.	.			trans	-64.7	144.5	172.8	41.4	0	0	0	0	111.9	P808	P808-S812 WeakPolarHBondContact CB-OG 3.44Å; P808-S812 WeakPolarHBondContact CG-OG 3.44Å
813	P	72.3	Confident	71.9	Confident	94 Å²	94	73.1 Å²	73.1	61%	0.61	43%	0.425	S	S	*	.			trans	-72.1	142.6	178.7	30.2	-34.1	0	0	0	110.9
814	V	73	Confident	71.6	Confident	14 Å²	14	67.2 Å²	67.2	9%	0.085	39%	0.39	C	S	.	.	B	Isolated β-bridge	trans	-114	134.2	176.5	178.9	0	0	0	0	109.1	P808 E818 T819 V824	P808-V814 HydrophobicContact CG-CG2 3.98Å; V814-E818 HydrophobicContact CG1-CB 3.89Å; V814-E818 WeakPolarHBondContact CG1-OE2 3.43Å; V814-T819 HydrophobicContact CB-CG2 4.43Å; V814-T819 HydrophobicContact CG1-CG2 3.76Å; V814-V824 HydrophobicContact CB-CB 4.14Å; V814-V824 HydrophobicContact CB-CG2 4.42Å
815	Q	64.6	Low	71.4	Confident	148 Å²	148	64.9 Å²	64.9	69%	0.692	38%	0.378	S	S	*	.			trans	-69.4	146.1	177.6	-67	-166.3	7.1	0	0	110.9	S817 E818 T819	Q815-S817 PolarHBondContact O-N 2.92Å; Q815-E818 PolarHBondContact O-N 3.5Å; Q815-T819 PolarHBondContact O-OG1 3.17Å
816	G	63.8	Low	71.3	Confident	22 Å²	22	66 Å²	66	23%	0.227	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-18.1	-177.9	0	0	0	0	0	114.8	T819 G820 G821	G816-T819 WeakPolarHBondContact CA-OG1 3.48Å; G816-T819 CarbonylContact O-C 3.31Å; G816-T819 PolarHBondContact O-OG1 2.9Å; G816-G820 PolarHBondContact O-N 3.38Å; G816-G821 WeakPolarHBondContact O-CA 3.33Å; G816-G821 PolarHBondContact O-N 3.05Å
817	S	64.4	Low	71.4	Confident	92 Å²	92	66.6 Å²	66.6	64%	0.643	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-45.5	176.5	44.5	0	0	0	0	112.4	Q815 T819 G820	Q815-S817 PolarHBondContact O-N 2.92Å; S817-T819 VanDerWaalsContact C-N 3.3Å; S817-T819 PolarHBondContact O-N 3.41Å; S817-G820 PolarHBondContact O-N 3.34Å
818	E	63.9	Low	71.5	Confident	127 Å²	127	66.6 Å²	66.6	59%	0.593	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-28.1	-178.2	-63.9	177.8	-176	0	0	112.1	I806 V814 Q815	I806-E818 HydrophobicContact CG2-CB 4.49Å; V814-E818 HydrophobicContact CG1-CB 3.89Å; V814-E818 WeakPolarHBondContact CG1-OE2 3.43Å; Q815-E818 PolarHBondContact O-N 3.5Å
819	T	63.6	Low	71.8	Confident	0 Å²	0	66 Å²	66	0%	0	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	26.2	-179.9	52.2	0	0	0	0	112.2	L265 I806 V814 Q815 G816 S817 G821 F822 V824	L265-T819 WeakPolarHBondContact CD1-O 3.33Å; I806-T819 HydrophobicContact CG2-CG2 4.33Å; V814-T819 HydrophobicContact CB-CG2 4.43Å; V814-T819 HydrophobicContact CG1-CG2 3.76Å; Q815-T819 PolarHBondContact O-OG1 3.17Å; G816-T819 WeakPolarHBondContact CA-OG1 3.48Å; G816-T819 CarbonylContact O-C 3.31Å; G816-T819 PolarHBondContact O-OG1 2.9Å; S817-T819 VanDerWaalsContact C-N 3.3Å; S817-T819 PolarHBondContact O-N 3.41Å; T819-G821 PolarHBondContact O-N 3.25Å; T819-F822 WeakPolarHBondContact CB-O 3.33Å; T819-F822 PolarHBondContact O-N 3.42Å; T819-F822 PolarHBondContact OG1-O 3.43Å; T819-V824 HydrophobicContact CG2-CG2 3.87Å
820	G	62.3	Low	72.4	Confident	23 Å²	23	68.7 Å²	68.7	24%	0.237	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	29.8	168.5	0	0	0	0	0	114.9	L265 G816 S817	L265-G820 PolarHBondContact N-O 2.74Å; G816-G820 PolarHBondContact O-N 3.38Å; S817-G820 PolarHBondContact O-N 3.34Å
821	G	65.8	Low	72.9	Confident	62 Å²	62	61.8 Å²	61.8	64%	0.639	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	114.6	-13.3	177.5	0	0	0	0	0	115.5	G816 T819	G816-G821 WeakPolarHBondContact O-CA 3.33Å; G816-G821 PolarHBondContact O-N 3.05Å; T819-G821 PolarHBondContact O-N 3.25Å
822	F	71.4	Confident	73.8	Confident	19 Å²	19	61.7 Å²	61.7	8%	0.083	34%	0.337	C	S	.	.			trans	-92	117.4	-175.1	-71.6	-80.2	0	0	0	112.9	L265 L266 K269 F736 T819 V824	L265-F822 HydrophobicContact CB-CD2 3.67Å; L265-F822 HydrophobicContact CB-CE2 3.61Å; L265-F822 HydrophobicContact CD1-CD2 4.49Å; L266-F822 HydrophobicContact CD1-CZ 4.31Å; K269-F822 HydrophobicContact CD-CZ 3.96Å; F736-F822 HydrophobicContact CD2-CB 3.52Å; F736-F822 HydrophobicContact CD2-CD1 4.49Å; F736-F822 HydrophobicContact CD2-CG 4.09Å; F736-F822 HydrophobicContact CE2-CB 3.52Å; F736-F822 HydrophobicContact CE2-CD1 4.48Å; F736-F822 HydrophobicContact CE2-CD2 4.18Å; F736-F822 AromaticContact CE2-CG 3.82Å; F736-F822 HydrophobicContact CE2-CG 3.82Å; F736-F822 HydrophobicContact CG-CB 4.37Å; F736-F822 HydrophobicContact CZ-CB 4.37Å; F736-F822 HydrophobicContact CZ-CD2 4.31Å; F736-F822 HydrophobicContact CZ-CG 4.19Å; T819-F822 WeakPolarHBondContact CB-O 3.33Å; T819-F822 PolarHBondContact O-N 3.42Å; T819-F822 PolarHBondContact OG1-O 3.43Å; F822-V824 PolarHBondContact O-N 3.22Å
823	R	70.9	Confident	74.3	Confident	159 Å²	159	66.1 Å²	66.1	60%	0.6	35%	0.346	S	S	*	.			trans	-66.9	128.9	172.9	-67.5	-179.1	177.1	178.7	-4	110.7
824	V	77.2	Confident	75	Confident	8 Å²	8	69.6 Å²	69.6	5%	0.048	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-105	117.5	173.1	-179.8	0	0	0	0	108.7	F736 I807 V814 T819 F822 A828	F736-V824 HydrophobicContact CD2-CG2 4.1Å; I807-V824 HydrophobicContact CD1-CG2 4.33Å; I807-V824 HydrophobicContact CG1-CG2 4.39Å; I807-V824 HydrophobicContact CG2-CG1 4.32Å; V814-V824 HydrophobicContact CB-CB 4.14Å; V814-V824 HydrophobicContact CB-CG2 4.42Å; T819-V824 HydrophobicContact CG2-CG2 3.87Å; F822-V824 PolarHBondContact O-N 3.22Å; V824-A828 HydrophobicContact CG1-CB 3.74Å
825	Y	78.2	Confident	75.8	Confident	78 Å²	78	68.9 Å²	68.9	31%	0.306	34%	0.343	S	S	.	.			trans	-78.3	157.1	180	-68.3	-80.2	0	0	0	112.1	Q679 D737 A828	Q679-Y825 PolarHBondContact O-OH 3.38Å; D737-Y825 HydrophobicContact CB-CD2 4.02Å; D737-Y825 HydrophobicContact CB-CE2 3.66Å; Y825-A828 WeakPolarHBondContact O-CB 3.45Å; Y825-A828 PolarHBondContact O-N 3.44Å
826	P	78	Confident	76.9	Confident	79 Å²	79	64.7 Å²	64.7	51%	0.513	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	144.3	174.7	24.4	-34.6	0	0	0	111.3	G811 A828	G811-P826 WeakPolarHBondContact O-CA 3.12Å; P826-A828 PolarHBondContact O-N 2.78Å
827	N	80.6	Confident	78	Confident	76 Å²	76	71.5 Å²	71.5	41%	0.406	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.6	21.3	-176.4	-62.1	-48	0	0	0	115.9	G811 V829 R830 S831	G811-N827 PolarHBondContact O-N 2.55Å; N827-V829 PolarHBondContact O-N 3.34Å; N827-R830 PolarHBondContact O-N 3.35Å; N827-S831 PolarHBondContact O-N 2.68Å; N827-S831 PolarHBondContact O-OG 3.45Å
828	A	81.4	Confident	79	Confident	6 Å²	6	68 Å²	68	5%	0.05	32%	0.318	C	S	.	.	H	α-helix	trans	-48.7	-36.6	-177.4	0	0	0	0	0	114.5	F798 V824 Y825 P826 S831 F832	F798-A828 HydrophobicContact CE2-CB 4.27Å; F798-A828 HydrophobicContact CZ-CB 4.26Å; V824-A828 HydrophobicContact CG1-CB 3.74Å; Y825-A828 WeakPolarHBondContact O-CB 3.45Å; Y825-A828 PolarHBondContact O-N 3.44Å; P826-A828 PolarHBondContact O-N 2.78Å; A828-S831 PolarHBondContact O-N 3.19Å; A828-F832 VanDerWaalsContact O-CB 3.27Å; A828-F832 WeakPolarHBondContact O-CB 3.45Å; A828-F832 PolarHBondContact O-N 3.35Å
829	V	84	Confident	80.1	Confident	19 Å²	19	62.2 Å²	62.2	12%	0.115	29%	0.291	C	S	.	.	H	α-helix	trans	-63.3	-46.1	178.8	179.1	0	0	0	0	112.1	L802 M809 N827 F832 Y833	L802-V829 HydrophobicContact CD2-CG2 3.77Å; M809-V829 HydrophobicContact SD-CG1 4.48Å; M809-V829 HydrophobicContact SD-CG2 4.34Å; N827-V829 PolarHBondContact O-N 3.34Å; V829-F832 WeakPolarHBondContact O-CB 3.37Å; V829-F832 PolarHBondContact O-N 3.1Å; V829-Y833 HydrophobicContact CG1-CD2 4.06Å; V829-Y833 HydrophobicContact CG1-CE2 3.62Å; V829-Y833 WeakPolarHBondContact O-CD2 3.39Å; V829-Y833 PolarHBondContact O-N 3.44Å; V829-Y833 VanDerWaalsContact O-N 3.13Å
830	R	85.4	Confident	81.1	Confident	192 Å²	192	66.5 Å²	66.5	73%	0.725	31%	0.31	S	S	*	.	H	α-helix	trans	-65.6	-42.9	177.7	-69.9	-177.3	-177.9	166	2.2	110.9	N827 F832 Y833 R834	N827-R830 PolarHBondContact O-N 3.35Å; R830-F832 VanDerWaalsContact C-N 3.31Å; R830-F832 PolarHBondContact O-N 3.47Å; R830-Y833 PolarHBondContact O-N 3.14Å; R830-R834 PolarHBondContact O-N 3.02Å; R830-R834 VanDerWaalsContact O-N 3.16Å
831	S	84.1	Confident	82.1	Confident	8 Å²	8	67 Å²	67	6%	0.056	31%	0.31	C	S	.	.	H	α-helix	trans	-64.2	-36.8	177.9	-52.8	0	0	0	0	111.6	E739 N827 A828 R834 F835	E739-S831 WeakPolarHBondContact CG-OG 3.29Å; E739-S831 PolarHBondContact OE1-OG 3.23Å; N827-S831 PolarHBondContact O-N 2.68Å; N827-S831 PolarHBondContact O-OG 3.45Å; A828-S831 PolarHBondContact O-N 3.19Å; S831-R834 PolarHBondContact O-N 2.73Å; S831-F835 VanDerWaalsContact O-CB 3.31Å; S831-F835 WeakPolarHBondContact O-CB 3.46Å; S831-F835 PolarHBondContact O-N 2.84Å
832	F	87.7	Confident	82.7	Confident	11 Å²	11	64.4 Å²	64.4	5%	0.048	28%	0.281	C	S	.	.	H	α-helix	trans	-61.3	-46.8	172.7	174.2	-100.4	0	0	0	112.5	W738 I795 F798 R799 A828 V829 R830 R834 F835 Y836	W738-F832 HydrophobicContact CD2-CB 4.28Å; W738-F832 AromaticContact CD2-CD2 3.75Å; W738-F832 HydrophobicContact CD2-CD2 3.75Å; W738-F832 AromaticContact CE2-CD2 3.61Å; W738-F832 HydrophobicContact CE3-CD2 4.03Å; W738-F832 HydrophobicContact CG-CB 3.95Å; W738-F832 HydrophobicContact CG-CD2 4.32Å; W738-F832 HydrophobicContact CH2-CD2 4.08Å; W738-F832 HydrophobicContact CH2-CE2 4.18Å; W738-F832 AromaticContact CZ2-CD2 3.81Å; W738-F832 HydrophobicContact CZ2-CD2 3.81Å; W738-F832 HydrophobicContact CZ2-CE2 4.23Å; W738-F832 HydrophobicContact CZ3-CD2 4.17Å; W738-F832 HydrophobicContact CZ3-CE2 4.39Å; I795-F832 HydrophobicContact CB-CE2 4.42Å; I795-F832 HydrophobicContact CG1-CE2 4.14Å; I795-F832 HydrophobicContact CG2-CE2 4.07Å; I795-F832 HydrophobicContact CG2-CZ 4Å; F798-F832 HydrophobicContact CD1-CB 4.42Å; F798-F832 HydrophobicContact CD1-CD1 4.3Å; F798-F832 AromaticContact CD1-CD2 3.65Å; F798-F832 HydrophobicContact CD1-CD2 3.65Å; F798-F832 AromaticContact CD1-CE2 3.89Å; F798-F832 HydrophobicContact CD1-CE2 3.89Å; F798-F832 AromaticContact CD1-CG 3.86Å; F798-F832 HydrophobicContact CD1-CG 3.86Å; F798-F832 HydrophobicContact CD1-CZ 4.32Å; F798-F832 HydrophobicContact CE1-CB 3.66Å; F798-F832 AromaticContact CE1-CD1 3.96Å; F798-F832 HydrophobicContact CE1-CD1 3.96Å; F798-F832 AromaticContact CE1-CD2 3.77Å; F798-F832 HydrophobicContact CE1-CD2 3.77Å; F798-F832 HydrophobicContact CE1-CE2 4.39Å; F798-F832 AromaticContact CE1-CG 3.51Å; F798-F832 HydrophobicContact CE1-CG 3.51Å; F798-F832 HydrophobicContact CZ-CB 4.15Å; F798-F832 HydrophobicContact CZ-CG 4.45Å; R799-F832 HydrophobicContact CG-CZ 4.45Å; A828-F832 VanDerWaalsContact O-CB 3.27Å; A828-F832 WeakPolarHBondContact O-CB 3.45Å; A828-F832 PolarHBondContact O-N 3.35Å; V829-F832 WeakPolarHBondContact O-CB 3.37Å; V829-F832 PolarHBondContact O-N 3.1Å; R830-F832 VanDerWaalsContact C-N 3.31Å; R830-F832 PolarHBondContact O-N 3.47Å; F832-R834 VanDerWaalsContact C-N 3.33Å; F832-R834 PolarHBondContact O-N 3.36Å; F832-F835 PolarHBondContact O-N 3.23Å; F832-Y836 VanDerWaalsContact O-CB 3.29Å; F832-Y836 WeakPolarHBondContact O-CB 3.4Å; F832-Y836 PolarHBondContact O-N 2.96Å
833	Y	87.6	Confident	83	Confident	151 Å²	151	66.1 Å²	66.1	59%	0.592	29%	0.29	S	S	*	.	H	α-helix	trans	-61.5	-41.6	177.9	-77.6	-66.7	0	0	0	112.5	V829 R830 Y836 K837	V829-Y833 HydrophobicContact CG1-CD2 4.06Å; V829-Y833 HydrophobicContact CG1-CE2 3.62Å; V829-Y833 WeakPolarHBondContact O-CD2 3.39Å; V829-Y833 PolarHBondContact O-N 3.44Å; V829-Y833 VanDerWaalsContact O-N 3.13Å; R830-Y833 PolarHBondContact O-N 3.14Å; Y833-Y836 PolarHBondContact O-N 3.31Å; Y833-K837 PolarHBondContact O-N 3.29Å
834	R	87.5	Confident	83.3	Confident	167 Å²	167	68.6 Å²	68.6	63%	0.63	30%	0.3	S	S	*	.	H	α-helix	trans	-61.8	-50.5	174.9	-178.8	-178.7	178.8	173.1	3.8	111.1	R830 S831 F832 Y836 K837 I838	R830-R834 PolarHBondContact O-N 3.02Å; R830-R834 VanDerWaalsContact O-N 3.16Å; S831-R834 PolarHBondContact O-N 2.73Å; F832-R834 VanDerWaalsContact C-N 3.33Å; F832-R834 PolarHBondContact O-N 3.36Å; R834-Y836 VanDerWaalsContact C-N 3.34Å; R834-Y836 PolarHBondContact O-N 3.48Å; R834-K837 PolarHBondContact O-N 2.96Å; R834-I838 HydrophobicContact CG-CD1 4.16Å; R834-I838 WeakPolarHBondContact O-CG1 3.39Å; R834-I838 PolarHBondContact O-N 3.26Å
835	F	90	Very high	82.9	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-55.6	-48.6	176.2	164.3	-101.1	0	0	0	111.6	W738 K741 A742 I745 I791 I795 S831 F832 K837 I838 Y839	W738-F835 HydrophobicContact CB-CB 3.99Å; W738-F835 HydrophobicContact CB-CG 4.42Å; W738-F835 HydrophobicContact CD2-CD1 4.3Å; W738-F835 AromaticContact CE3-CD1 3.37Å; W738-F835 HydrophobicContact CE3-CD1 3.37Å; W738-F835 AromaticContact CE3-CE1 3.57Å; W738-F835 HydrophobicContact CE3-CE1 3.57Å; W738-F835 AromaticContact CE3-CG 3.9Å; W738-F835 HydrophobicContact CE3-CG 3.9Å; W738-F835 HydrophobicContact CE3-CZ 4.26Å; W738-F835 AromaticContact CZ3-CD1 3.82Å; W738-F835 HydrophobicContact CZ3-CD1 3.82Å; W738-F835 AromaticContact CZ3-CE1 3.56Å; W738-F835 HydrophobicContact CZ3-CE1 3.56Å; W738-F835 HydrophobicContact CZ3-CZ 4.25Å; K741-F835 HydrophobicContact CB-CD2 3.77Å; K741-F835 HydrophobicContact CB-CE2 3.52Å; K741-F835 HydrophobicContact CB-CZ 4.35Å; K741-F835 HydrophobicContact CD-CE2 4.27Å; K741-F835 HydrophobicContact CD-CZ 4.3Å; A742-F835 HydrophobicContact CB-CB 4.17Å; A742-F835 HydrophobicContact CB-CD2 4.16Å; I745-F835 HydrophobicContact CD1-CD2 4.45Å; I745-F835 HydrophobicContact CD1-CE2 3.63Å; I745-F835 HydrophobicContact CD1-CZ 4.39Å; I791-F835 HydrophobicContact CG2-CE1 4.29Å; I791-F835 HydrophobicContact CG2-CZ 3.71Å; I795-F835 HydrophobicContact CD1-CE1 4.02Å; I795-F835 HydrophobicContact CG1-CE1 4.11Å; S831-F835 VanDerWaalsContact O-CB 3.31Å; S831-F835 WeakPolarHBondContact O-CB 3.46Å; S831-F835 PolarHBondContact O-N 2.84Å; F832-F835 PolarHBondContact O-N 3.23Å; F835-K837 VanDerWaalsContact C-N 3.28Å; F835-K837 PolarHBondContact O-N 3.06Å; F835-I838 WeakPolarHBondContact O-CB 3.38Å; F835-I838 PolarHBondContact O-N 3.11Å; F835-Y839 HydrophobicContact CE1-CG 4.44Å; F835-Y839 HydrophobicContact CZ-CD2 4.29Å; F835-Y839 HydrophobicContact CZ-CG 4.09Å; F835-Y839 WeakPolarHBondContact O-CB 2.98Å; F835-Y839 PolarHBondContact O-N 3.12Å
836	Y	87.6	Confident	82.1	Confident	59 Å²	59	69 Å²	69	23%	0.231	31%	0.305	C	S	.	.	H	α-helix	trans	-61.9	-35.2	-176.3	-172.9	-114.6	0	0	0	112.7	I795 R799 F832 Y833 R834 K840	I795-Y836 HydrophobicContact CD1-CD2 4.45Å; R799-Y836 VanDerWaalsContact NH2-CZ 3.28Å; R799-Y836 PolarHBondContact NH2-OH 3.43Å; F832-Y836 VanDerWaalsContact O-CB 3.29Å; F832-Y836 WeakPolarHBondContact O-CB 3.4Å; F832-Y836 PolarHBondContact O-N 2.96Å; Y833-Y836 PolarHBondContact O-N 3.31Å; R834-Y836 VanDerWaalsContact C-N 3.34Å; R834-Y836 PolarHBondContact O-N 3.48Å; Y836-K840 HydrophobicContact CD1-CD 4.28Å; Y836-K840 HydrophobicContact CE1-CD 3.83Å; Y836-K840 HydrophobicContact CE1-CG 4.49Å; Y836-K840 WeakPolarHBondContact O-CB 3.47Å; Y836-K840 WeakPolarHBondContact O-CG 3.03Å; Y836-K840 PolarHBondContact O-N 3.44Å; Y836-K840 WeakPolarHBondContact OH-CE 3.34Å; Y836-K840 PolarHBondContact OH-NZ 2.95Å; Y836-K840 VanDerWaalsContact OH-NZ 3.16Å
837	K	87.5	Confident	81	Confident	166 Å²	166	69.4 Å²	69.4	72%	0.722	31%	0.307	S	S	*	.	H	α-helix	trans	-64	-44.7	173.1	-173.5	179.2	178.8	-178.8	0	111.7	Y833 R834 F835 S841	Y833-K837 PolarHBondContact O-N 3.29Å; R834-K837 PolarHBondContact O-N 2.96Å; F835-K837 VanDerWaalsContact C-N 3.28Å; F835-K837 PolarHBondContact O-N 3.06Å; K837-S841 PolarHBondContact O-N 3.33Å
838	I	85.2	Confident	79.7	Confident	18 Å²	18	67.5 Å²	67.5	9%	0.092	30%	0.299	C	S	.	.	H	α-helix	trans	-66.1	-47.9	178.6	-64.7	166.2	0	0	0	110.1	A742 I745 E746 R834 F835 K840 S841 W842	A742-I838 HydrophobicContact CB-CD1 3.91Å; I745-I838 HydrophobicContact CB-CG2 4.25Å; I745-I838 HydrophobicContact CG2-CG2 3.75Å; E746-I838 HydrophobicContact CG-CD1 3.98Å; E746-I838 HydrophobicContact CG-CG2 4Å; E746-I838 WeakPolarHBondContact OE1-CG1 3.36Å; R834-I838 HydrophobicContact CG-CD1 4.16Å; R834-I838 WeakPolarHBondContact O-CG1 3.39Å; R834-I838 PolarHBondContact O-N 3.26Å; F835-I838 WeakPolarHBondContact O-CB 3.38Å; F835-I838 PolarHBondContact O-N 3.11Å; I838-K840 PolarHBondContact O-N 3.21Å; I838-S841 WeakPolarHBondContact O-CA 3.44Å; I838-S841 VanDerWaalsContact O-CB 3.32Å; I838-S841 WeakPolarHBondContact O-CB 3.23Å; I838-S841 PolarHBondContact O-N 3.28Å; I838-W842 PolarHBondContact O-N 2.96Å
839	Y	86.9	Confident	78.2	Confident	5 Å²	5	74 Å²	74	2%	0.02	33%	0.333	C	S	.	.	H	α-helix	trans	-58.3	-44.9	178.7	179.3	-117.5	0	0	0	112.5	I745 I791 D792 I795 F835 S841 W842 L843	I745-Y839 HydrophobicContact CD1-CD2 4.09Å; I791-Y839 HydrophobicContact CB-CE2 4.29Å; I791-Y839 HydrophobicContact CD1-CE2 4.21Å; I791-Y839 HydrophobicContact CG2-CD2 4.06Å; I791-Y839 HydrophobicContact CG2-CE1 4.09Å; I791-Y839 HydrophobicContact CG2-CE2 3.62Å; I791-Y839 HydrophobicContact CG2-CG 4.48Å; D792-Y839 VanDerWaalsContact CG-OH 3.32Å; D792-Y839 VanDerWaalsContact OD1-CE1 3.31Å; D792-Y839 WeakPolarHBondContact OD1-CE1 3.47Å; D792-Y839 PolarHBondContact OD1-OH 3.47Å; I795-Y839 HydrophobicContact CD1-CD1 3.79Å; I795-Y839 HydrophobicContact CD1-CE1 3.64Å; F835-Y839 HydrophobicContact CE1-CG 4.44Å; F835-Y839 HydrophobicContact CZ-CD2 4.29Å; F835-Y839 HydrophobicContact CZ-CG 4.09Å; F835-Y839 WeakPolarHBondContact O-CB 2.98Å; F835-Y839 PolarHBondContact O-N 3.12Å; Y839-S841 VanDerWaalsContact C-N 3.3Å; Y839-S841 PolarHBondContact O-N 2.85Å; Y839-W842 AromaticContact CD2-CE3 3.87Å; Y839-W842 HydrophobicContact CD2-CE3 3.87Å; Y839-W842 HydrophobicContact CD2-CZ3 4.31Å; Y839-W842 HydrophobicContact CE2-CE3 4.01Å; Y839-W842 HydrophobicContact CE2-CZ3 4.13Å; Y839-W842 WeakPolarHBondContact O-CB 3.33Å; Y839-W842 PolarHBondContact O-N 3.01Å; Y839-L843 HydrophobicContact CD1-CD1 4.15Å; Y839-L843 HydrophobicContact CD2-CG 4.5Å; Y839-L843 HydrophobicContact CE1-CD1 3.59Å; Y839-L843 HydrophobicContact CE1-CG 4.38Å; Y839-L843 HydrophobicContact CE2-CD1 4.13Å; Y839-L843 HydrophobicContact CE2-CD2 4.3Å; Y839-L843 HydrophobicContact CE2-CG 4.06Å; Y839-L843 PolarHBondContact O-N 3.08Å
840	K	84.6	Confident	76.7	Confident	90 Å²	90	81.5 Å²	81.5	39%	0.391	36%	0.364	S	S	.	.	H	α-helix	trans	-61.3	-36.8	173.7	-85.9	-174.7	164.8	172	0	113.4	Y836 I838 R844	Y836-K840 HydrophobicContact CD1-CD 4.28Å; Y836-K840 HydrophobicContact CE1-CD 3.83Å; Y836-K840 HydrophobicContact CE1-CG 4.49Å; Y836-K840 WeakPolarHBondContact O-CB 3.47Å; Y836-K840 WeakPolarHBondContact O-CG 3.03Å; Y836-K840 PolarHBondContact O-N 3.44Å; Y836-K840 WeakPolarHBondContact OH-CE 3.34Å; Y836-K840 PolarHBondContact OH-NZ 2.95Å; Y836-K840 VanDerWaalsContact OH-NZ 3.16Å; I838-K840 PolarHBondContact O-N 3.21Å; K840-R844 WeakPolarHBondContact O-CG 3.45Å
841	S	82.1	Confident	74.9	Confident	34 Å²	34	73.6 Å²	73.6	24%	0.238	34%	0.337	C	S	.	.	H	α-helix	trans	-66.1	-44.8	175.2	-164.1	0	0	0	0	110.3	R749 K837 I838 Y839 R844 E845	R749-S841 PolarHBondContact NH2-OG 3.08Å; K837-S841 PolarHBondContact O-N 3.33Å; I838-S841 WeakPolarHBondContact O-CA 3.44Å; I838-S841 VanDerWaalsContact O-CB 3.32Å; I838-S841 WeakPolarHBondContact O-CB 3.23Å; I838-S841 PolarHBondContact O-N 3.28Å; Y839-S841 VanDerWaalsContact C-N 3.3Å; Y839-S841 PolarHBondContact O-N 2.85Å; S841-R844 PolarHBondContact O-N 2.98Å; S841-E845 PolarHBondContact O-N 2.96Å
842	W	79.6	Confident	72.8	Confident	8 Å²	8	85 Å²	85	3%	0.03	38%	0.379	C	S	.	.	H	α-helix	trans	-60.3	-47.1	-179.3	-172.3	50.3	0	0	0	112.3	I745 M748 L783 I791 I838 Y839 R844 E845 S846	I745-W842 HydrophobicContact CD1-CE3 3.97Å; I745-W842 HydrophobicContact CD1-CZ3 4.16Å; I745-W842 HydrophobicContact CG1-CD2 4.48Å; I745-W842 HydrophobicContact CG1-CE3 4.28Å; I745-W842 HydrophobicContact CG1-CZ3 4.35Å; I745-W842 HydrophobicContact CG2-CB 3.82Å; I745-W842 HydrophobicContact CG2-CD2 3.78Å; I745-W842 HydrophobicContact CG2-CE3 4.25Å; I745-W842 HydrophobicContact CG2-CG 3.62Å; M748-W842 HydrophobicContact CE-CH2 3.77Å; M748-W842 HydrophobicContact CE-CZ2 3.34Å; M748-W842 HydrophobicContact SD-CZ2 4.32Å; L783-W842 HydrophobicContact CD1-CD2 4.25Å; L783-W842 HydrophobicContact CD1-CE3 4.24Å; L783-W842 HydrophobicContact CD1-CH2 4.27Å; L783-W842 HydrophobicContact CD1-CZ2 4.28Å; L783-W842 HydrophobicContact CD1-CZ3 4.24Å; L783-W842 HydrophobicContact CD2-CD2 4.32Å; L783-W842 VanDerWaalsContact CD2-CE2 3.49Å; L783-W842 HydrophobicContact CD2-CH2 3.5Å; L783-W842 VanDerWaalsContact CD2-CH2 3.5Å; L783-W842 HydrophobicContact CD2-CZ2 3.05Å; L783-W842 HydrophobicContact CD2-CZ3 4.26Å; L783-W842 HydrophobicContact CG-CZ2 4.31Å; I791-W842 HydrophobicContact CD1-CZ3 4.28Å; I838-W842 PolarHBondContact O-N 2.96Å; Y839-W842 AromaticContact CD2-CE3 3.87Å; Y839-W842 HydrophobicContact CD2-CE3 3.87Å; Y839-W842 HydrophobicContact CD2-CZ3 4.31Å; Y839-W842 HydrophobicContact CE2-CE3 4.01Å; Y839-W842 HydrophobicContact CE2-CZ3 4.13Å; Y839-W842 WeakPolarHBondContact O-CB 3.33Å; Y839-W842 PolarHBondContact O-N 3.01Å; W842-R844 PolarHBondContact O-N 2.81Å; W842-E845 PolarHBondContact O-N 3.28Å; W842-S846 PolarHBondContact O-N 2.96Å; W842-S846 PolarHBondContact O-OG 3.45Å
843	L	78	Confident	72.1	Confident	54 Å²	54	88.7 Å²	88.7	28%	0.283	40%	0.395	S	S	.	.	H	α-helix	trans	-62.5	-23.6	176.9	-73.9	176.7	0	0	0	114.7	L783 I788 Y839 V848	L783-L843 HydrophobicContact CD1-CD2 4.18Å; I788-L843 HydrophobicContact CD1-CD2 4.05Å; I788-L843 HydrophobicContact CG1-CD2 4.38Å; I788-L843 HydrophobicContact CG2-CD2 4.35Å; Y839-L843 HydrophobicContact CD1-CD1 4.15Å; Y839-L843 HydrophobicContact CD2-CG 4.5Å; Y839-L843 HydrophobicContact CE1-CD1 3.59Å; Y839-L843 HydrophobicContact CE1-CG 4.38Å; Y839-L843 HydrophobicContact CE2-CD1 4.13Å; Y839-L843 HydrophobicContact CE2-CD2 4.3Å; Y839-L843 HydrophobicContact CE2-CG 4.06Å; Y839-L843 PolarHBondContact O-N 3.08Å; L843-V848 HydrophobicContact CD2-CG2 4.41Å
844	R	75.9	Confident	71.2	Confident	211 Å²	211	85.4 Å²	85.4	80%	0.796	39%	0.385	S	S	*	.	H	α-helix	trans	-81.4	-25.9	178.9	-73.4	173.3	-177.2	-176.3	-1	112.8	K840 S841 W842	K840-R844 WeakPolarHBondContact O-CG 3.45Å; S841-R844 PolarHBondContact O-N 2.98Å; W842-R844 PolarHBondContact O-N 2.81Å
845	E	68.4	Low	70.3	Confident	85 Å²	85	80.8 Å²	80.8	40%	0.397	37%	0.371	S	S	.	.	H	α-helix	trans	-91.3	-31.1	-173.8	-71	175.8	175	0	0	112.5	R749 F778 S841 W842	R749-E845 IonicContact CZ-OE1 2.89Å; R749-E845 IonicContact CZ-OE2 2.83Å; R749-E845 IonicContact NE-OE1 3.79Å; R749-E845 IonicContact NE-OE2 3.12Å; R749-E845 PolarHBondContact NE-OE2 3.01Å; R749-E845 IonicContact NH2-OE1 2.67Å; R749-E845 PolarHBondContact NH2-OE1 3.24Å; R749-E845 IonicContact NH2-OE2 3.76Å; R749-E845 PolarHBondContact NH2-OE2 2.96Å; F778-E845 HydrophobicContact CD2-CB 4.22Å; F778-E845 WeakPolarHBondContact CD2-O 3.46Å; F778-E845 HydrophobicContact CE2-CB 4.19Å; S841-E845 PolarHBondContact O-N 2.96Å; W842-E845 PolarHBondContact O-N 3.28Å
846	S	61.9	Low	69.2	Low	9 Å²	9	85.6 Å²	85.6	6%	0.063	39%	0.393	C	S	.	.	S	Bend	trans	-83.7	142.7	179.4	53.6	0	0	0	0	112.6	L783 W842 V848	L783-S846 WeakPolarHBondContact CD1-OG 3.32Å; W842-S846 PolarHBondContact O-N 2.96Å; W842-S846 PolarHBondContact O-OG 3.45Å; S846-V848 WeakPolarHBondContact O-CG2 2.96Å; S846-V848 PolarHBondContact O-N 3.01Å; S846-V848 WeakPolarHBondContact OG-CG2 3.38Å
847	P	55.4	Low	68	Low	88 Å²	88	87.3 Å²	87.3	57%	0.571	40%	0.403	S	S	*	.			trans	-65.1	123.7	159.4	28.6	-30.9	0	0	0	108.4
848	V	53.1	Low	66.7	Low	36 Å²	36	82 Å²	82	22%	0.218	38%	0.382	C	S	.	.			trans	-130	123.3	-177.7	-173.5	0	0	0	0	109.8	L783 I788 L843 S846 K850	L783-V848 HydrophobicContact CD1-CG2 3.77Å; L783-V848 HydrophobicContact CG-CG2 4.37Å; I788-V848 HydrophobicContact CD1-CB 4.44Å; I788-V848 HydrophobicContact CD1-CG1 3.27Å; I788-V848 HydrophobicContact CD1-CG2 4.28Å; L843-V848 HydrophobicContact CD2-CG2 4.41Å; S846-V848 WeakPolarHBondContact O-CG2 2.96Å; S846-V848 PolarHBondContact O-N 3.01Å; S846-V848 WeakPolarHBondContact OG-CG2 3.38Å; V848-K850 VanDerWaalsContact C-N 3.32Å; V848-K850 HydrophobicContact CG1-CG 4.25Å; V848-K850 PolarHBondContact O-N 3.13Å; V848-K850 VanDerWaalsContact O-N 3.08Å
849	D	50.8	Low	65.4	Low	143 Å²	143	86.6 Å²	86.6	77%	0.765	40%	0.403	S	S	*	.			trans	-70	94.2	152.5	-83.9	-16.9	0	0	0	107.4
850	K	51	Low	63.8	Low	176 Å²	176	92.8 Å²	92.8	77%	0.765	43%	0.432	S	S	*	.			trans	-58.5	131.6	179.2	-72.5	-178.4	-179.9	174.6	0	108.6	V848	V848-K850 VanDerWaalsContact C-N 3.32Å; V848-K850 HydrophobicContact CG1-CG 4.25Å; V848-K850 PolarHBondContact O-N 3.13Å; V848-K850 VanDerWaalsContact O-N 3.08Å
851	P	48.2	Very low	62	Low	27 Å²	27	93.1 Å²	93.1	18%	0.175	44%	0.436	C	S	.	.			trans	-58.3	146.8	166.6	23.5	-29	0	0	0	109.7	R785 I788	R785-P851 HydrophobicContact CG-CB 3.9Å; R785-P851 HydrophobicContact CG-CG 4.41Å; I788-P851 HydrophobicContact CG2-CG 4.14Å
852	R	40	Very low	60.2	Low	246 Å²	246	98.5 Å²	98.5	93%	0.928	45%	0.454	S	S	*	.			trans	-54.9	0	178.3	-87.4	-169.4	174.9	156.8	8.1	112.8	D280	D280-R852 VanDerWaalsContact CG-NH2 3.28Å; D280-R852 IonicContact OD1-CZ 3.11Å; D280-R852 IonicContact OD1-NH1 3.36Å; D280-R852 PolarHBondContact OD1-NH1 3.44Å; D280-R852 IonicContact OD1-NH2 2.74Å; D280-R852 PolarHBondContact OD1-NH2 2.85Å; D280-R852 IonicContact OD2-CZ 3.68Å; D280-R852 IonicContact OD2-NH2 2.82Å; D280-R852 PolarHBondContact OD2-NH2 2.49Å; D280-R852 VanDerWaalsContact OD2-NH2 3.14Å

Retrieved 852 of 852 residues in 314.1 ms (Link to these results)

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