A0A077Z0F1_TRITR Loading...

WW and SH3BP5 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z0F1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 852 aa.

						>A0A077Z0F1_TRITR|A0A077Z0F1
MLKSRKKESSSRLSLTDGIPGRYLPRDDPPTIPNYSSGLSISKTSGEEKRTWQSAERLSNVLLTNYAPRCGAPTAMQDRSSPFRRGDLAVDSTGSSPFAAIKRHPFLSANLCKSVADVSTTDGKVSDTVACRMALLGSPGNGRAILPAWVGPRAVSSNSMASSNCDLYSRLPQKQTLEAASPLRDHEIGHPVKDLPAVSPEELPLPPGWSVGWTVHGRRYFIDHNTQTTHWNHPLEKENLPLGWEKVLSPEHGVFYLNRLTNQTQYEHPGIVRKFKPTTDVQAIAANAVCPSCALSIPLSSHSHGQLTCSVRNVVEVPAPFYAYTVHDIPDWIKVYARAPHDSDYLLKWDLFRLPQLDCFDHMLLKLYKQEINTVVIAYEREEMECEPSHPAALHSPTSAYDMNRVHEELEKLNIATDVINKLELQLDEAQAIFRDVQSSWTQRLSQMNKRLGSCIDKSRPYYEARIKVLEAQQEAHKAALRFERANRMHAVAKQQVSLTQESLNRQGTENVDPACLEVLNHHIHRVNEAEVDRLQSENEHKRISQQVEEATRNVSVLQSALKRSIQKSKPYFEARVEFTKVLQNQKSLIQRLEAEIRQKKADYNASLRRLEEISEEIHEKRSLGKRDPGVGSESPGPPCTSLSEASLAQRKAAVESFLAGQGERQSVNVSAQLPNACSAALLTQGASIPLAVEAGDPHEGASLKSPVGIDDVICETEESSSQWTSREYSESANNKTAPFKSPLAACPSSQGTNNVSYGLNSGIILLAHELVAQRSEPAQVRAFQFPHEELDVEYRTTPEGLVLSGSSTPPAVSSIDDSSIAKVFSFAALRIPAKLLVQIMKVFFLTNRSKC
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.9	Very low	34.6	Very low	228 Å²	228	158.2 Å²	158.2	100%	1.123	81%	0.807	S	S	*	*				0	152.3	0	-81.2	-66.6	-167	0	0	108.9
2	L	32.2	Very low	34	Very low	139 Å²	139	165.2 Å²	165.2	73%	0.728	82%	0.816	S	S	*	*			trans	14	142.8	162.1	-70.5	88.3	0	0	0	120.8
3	K	34.7	Very low	33.9	Very low	180 Å²	180	166 Å²	166	78%	0.783	82%	0.824	S	S	*	*			cis	-175.6	164.3	-16.9	-126.7	175.1	-174.7	174.8	0	108.8
4	S	36.9	Very low	33.5	Very low	110 Å²	110	162.1 Å²	162.1	77%	0.769	82%	0.821	S	S	*	*			trans	68.2	125.1	168.5	-54	0	0	0	0	116.1
5	R	35	Very low	33.1	Very low	246 Å²	246	162.3 Å²	162.3	93%	0.928	82%	0.824	S	S	*	*				63.9	112.2	52.1	-72.5	-170.8	169.7	-169.4	-0.3	115.1
6	K	41.2	Very low	33	Very low	167 Å²	167	159.1 Å²	159.1	73%	0.726	82%	0.815	S	S	*	*				-148.7	154.5	105.9	-138.6	-166.2	174.4	-156.7	0	111.6	E8	K6-E8 WeakPolarHBondContact CE-OE1 3.43Å; K6-E8 IonicContact NZ-OE1 2.69Å; K6-E8 PolarHBondContact NZ-OE1 3.34Å; K6-E8 IonicContact NZ-OE2 3.44Å; K6-E8 PolarHBondContact NZ-OE2 2.91Å
7	K	34.7	Very low	33	Very low	187 Å²	187	158.9 Å²	158.9	81%	0.813	82%	0.816	S	S	*	*			trans	-101.1	156.9	159.8	-66.3	179.8	176.2	-176.8	0	107.4
8	E	36.3	Very low	32.9	Very low	160 Å²	160	153.4 Å²	153.4	75%	0.748	81%	0.805	S	S	*	*			trans	-158.4	165.3	131.3	-115.1	112.6	-131	0	0	110	K6	K6-E8 WeakPolarHBondContact CE-OE1 3.43Å; K6-E8 IonicContact NZ-OE1 2.69Å; K6-E8 PolarHBondContact NZ-OE1 3.34Å; K6-E8 IonicContact NZ-OE2 3.44Å; K6-E8 PolarHBondContact NZ-OE2 2.91Å
9	S	29.8	Very low	32.8	Very low	111 Å²	111	154.2 Å²	154.2	78%	0.776	81%	0.808	S	S	*	*			trans	-163.4	130	-170.5	55.7	0	0	0	0	111.3
10	S	31.8	Very low	32.7	Very low	116 Å²	116	153.1 Å²	153.1	81%	0.811	81%	0.81	S	S	*	*			trans	-168.7	168.4	160.2	-144.2	0	0	0	0	114.3
11	S	34	Very low	32.4	Very low	96 Å²	96	149.1 Å²	149.1	67%	0.671	81%	0.806	S	S	*	*			trans	35.8	119.6	155.9	54.4	0	0	0	0	119.3
12	R	27.4	Very low	32.2	Very low	242 Å²	242	150.5 Å²	150.5	91%	0.913	80%	0.798	S	S	*	*			cis	61.2	89.7	33.4	-159.8	-168.1	-171.1	-170.9	3.6	114.4
13	L	32.6	Very low	31.9	Very low	176 Å²	176	153.7 Å²	153.7	92%	0.921	80%	0.802	S	S	*	*			trans	-135.9	169.3	156.9	-79.6	-179.8	0	0	0	110.1
14	S	28.3	Very low	31.8	Very low	112 Å²	112	153.4 Å²	153.4	78%	0.783	81%	0.808	S	S	*	*			trans	-160.3	174.3	-168.3	56.1	0	0	0	0	111.6
15	L	28.3	Very low	31.9	Very low	165 Å²	165	153.5 Å²	153.5	86%	0.864	81%	0.806	S	S	*	*			trans	100.1	159.6	161.1	-142.5	65.9	0	0	0	116.6
16	T	31.8	Very low	31.6	Very low	110 Å²	110	152.4 Å²	152.4	68%	0.675	80%	0.802	S	S	*	*			trans	-80	152.2	-153.2	53.9	0	0	0	0	115.7
17	D	32.5	Very low	31.1	Very low	157 Å²	157	150.2 Å²	150.2	84%	0.84	80%	0.799	S	S	*	*				-177	175.3	103.2	-106.8	57	0	0	0	110.1
18	G	30.5	Very low	31.4	Very low	59 Å²	59	149.2 Å²	149.2	61%	0.608	80%	0.802	S	S	*	*			cis	-172.2	-162.9	2.2	0	0	0	0	0	110.6
19	I	30.7	Very low	31.5	Very low	168 Å²	168	147.2 Å²	147.2	86%	0.862	80%	0.803	S	S	*	*			trans	-143.9	150.4	175.6	-12.8	176.5	0	0	0	110.4
20	P	32.3	Very low	31.8	Very low	133 Å²	133	146.8 Å²	146.8	86%	0.864	80%	0.797	S	S	*	*				-145.9	173.4	86.8	38.2	-20.8	0	0	0	114.9
21	G	26.2	Very low	32	Very low	69 Å²	69	148.3 Å²	148.3	71%	0.711	80%	0.802	S	S	*	*			trans	-133.6	-173.3	179.3	0	0	0	0	0	114.7
22	R	29.4	Very low	31.9	Very low	258 Å²	258	150.4 Å²	150.4	97%	0.974	80%	0.804	S	S	*	*			trans	-158.8	151.7	170.3	-109.3	174.4	-170.4	-117.4	0.5	112.6
23	Y	26.5	Very low	32.1	Very low	206 Å²	206	143.6 Å²	143.6	81%	0.808	79%	0.791	S	S	*	*			trans	-84.8	146.6	174.2	-88.9	-107.1	0	0	0	112.6
24	L	32	Very low	31.9	Very low	174 Å²	174	143 Å²	143	91%	0.911	79%	0.789	S	S	*	*			trans	-149	129.7	144.4	-75.3	-176.7	0	0	0	109.3
25	P	38.3	Very low	32.1	Very low	112 Å²	112	148.1 Å²	148.1	73%	0.727	79%	0.793	S	S	*	*			trans	-102.2	149.2	171.4	36.7	-30.7	0	0	0	112.1
26	R	28.4	Very low	32.1	Very low	222 Å²	222	145.3 Å²	145.3	84%	0.838	79%	0.787	S	S	*	*			trans	-174.4	156.4	158.6	-114.1	-178.4	177.1	-150.6	1	117.1
27	D	31.4	Very low	32.2	Very low	122 Å²	122	146 Å²	146	65%	0.652	80%	0.796	S	S	*	*			trans	65	113.2	149.5	-53.1	-24.6	0	0	0	121.9
28	D	40.6	Very low	32.2	Very low	166 Å²	166	141.8 Å²	141.8	89%	0.888	79%	0.79	S	S	*	*			trans	-72.5	146.9	158.3	-48.2	-80.7	0	0	0	111.6
29	P	39.1	Very low	32.3	Very low	117 Å²	117	146.9 Å²	146.9	76%	0.76	80%	0.802	S	S	*	*				-156.3	-172.5	125.3	39.8	-22.2	0	0	0	113.8
30	P	36.7	Very low	32.2	Very low	102 Å²	102	143.8 Å²	143.8	66%	0.662	80%	0.796	S	S	*	*			cis	-126.8	164.2	-16.1	32.7	-15.3	0	0	0	115.2	I32	P30-I32 HydrophobicContact CB-CD1 4.19Å; P30-I32 HydrophobicContact CB-CG1 3.99Å; P30-I32 HydrophobicContact CG-CD1 4.49Å; P30-I32 HydrophobicContact CG-CG1 4.48Å
31	T	35.4	Very low	32.1	Very low	148 Å²	148	145.1 Å²	145.1	91%	0.908	79%	0.794	S	S	*	*			trans	-115.9	120.1	162.8	-60.6	0	0	0	0	110.3
32	I	31.2	Very low	32.4	Very low	140 Å²	140	146.5 Å²	146.5	72%	0.718	79%	0.793	S	S	*	*			trans	-153.6	156.6	179.5	-5.3	176	0	0	0	110.4	P30	P30-I32 HydrophobicContact CB-CD1 4.19Å; P30-I32 HydrophobicContact CB-CG1 3.99Å; P30-I32 HydrophobicContact CG-CD1 4.49Å; P30-I32 HydrophobicContact CG-CG1 4.48Å
33	P	33	Very low	32.5	Very low	99 Å²	99	143.8 Å²	143.8	64%	0.643	79%	0.788	S	S	*	*				-125.4	161	-78.3	39.8	-28.4	0	0	0	114.2
34	N	26.6	Very low	33	Very low	164 Å²	164	141.3 Å²	141.3	88%	0.877	79%	0.794	S	S	*	*			trans	-77	135.7	158.1	-96.9	-30.4	0	0	0	110.2
35	Y	33	Very low	32.8	Very low	219 Å²	219	139 Å²	139	86%	0.859	79%	0.793	S	S	*	*			trans	-141.3	119.8	163.1	-109.6	-84.9	0	0	0	111.5
36	S	28.3	Very low	32.4	Very low	106 Å²	106	137 Å²	137	74%	0.741	79%	0.792	S	S	*	*			trans	-73.6	150.2	172.8	-50.2	0	0	0	0	111.5
37	S	34.6	Very low	32.4	Very low	124 Å²	124	135.1 Å²	135.1	87%	0.867	79%	0.793	S	S	*	*				174.2	139.2	123	-80.5	0	0	0	0	113.9
38	G	31.9	Very low	32.2	Very low	69 Å²	69	136.6 Å²	136.6	71%	0.711	80%	0.796	S	S	*	*			trans	109.3	116.1	142.6	0	0	0	0	0	118.7
39	L	32.1	Very low	31.9	Very low	166 Å²	166	137.8 Å²	137.8	87%	0.869	79%	0.793	S	S	*	*			trans	58.5	88.8	145.1	-53.7	171.5	0	0	0	117.1
40	S	28.9	Very low	31.3	Very low	103 Å²	103	143.1 Å²	143.1	72%	0.72	80%	0.798	S	S	*	*				72.7	109.5	56.7	88	0	0	0	0	116.3
41	I	31.4	Very low	31.1	Very low	162 Å²	162	143.4 Å²	143.4	83%	0.831	80%	0.799	S	S	*	*				-162	154.8	127.7	-107.6	164.8	0	0	0	110.9
42	S	32.8	Very low	30.6	Very low	98 Å²	98	146.6 Å²	146.6	69%	0.685	79%	0.794	S	S	*	*			trans	-32	126.1	-174.4	45.9	0	0	0	0	117.1
43	K	31.6	Very low	30.4	Very low	201 Å²	201	146.6 Å²	146.6	87%	0.874	79%	0.791	S	S	*	*				63.1	106.6	75.6	-72.3	-171.6	176.8	-175.4	0	115.3
44	T	34.9	Very low	30	Very low	153 Å²	153	147.5 Å²	147.5	94%	0.939	80%	0.8	S	S	*	*				-146.7	152.5	117.4	20.3	0	0	0	0	107.9
45	S	29	Very low	30	Very low	125 Å²	125	143.4 Å²	143.4	87%	0.874	79%	0.789	S	S	*	*			trans	-121.4	146.7	-165.2	51.3	0	0	0	0	112.6
46	G	29.9	Very low	30	Very low	70 Å²	70	141 Å²	141	72%	0.722	79%	0.785	S	S	*	*			trans	158.2	105.4	170.4	0	0	0	0	0	112.2
47	E	27.8	Very low	29.8	Very low	183 Å²	183	146.5 Å²	146.5	86%	0.855	79%	0.79	S	S	*	*			trans	-58.5	158.8	159.7	-62.3	99.9	140	0	0	110.9
48	E	27.7	Very low	29.5	Very low	153 Å²	153	148.2 Å²	148.2	72%	0.715	79%	0.788	S	S	*	*			cis	-139.4	170.6	14.5	-154.2	171.8	171.2	0	0	112.8	R50	E48-R50 PolarHBondContact O-N 3.34Å; E48-R50 VanDerWaalsContact O-N 3.17Å
49	K	34.2	Very low	29.3	Very low	191 Å²	191	148.7 Å²	148.7	83%	0.83	78%	0.781	S	S	*	*			trans	-30.2	104.3	-172.1	-66	160.4	-173.3	152.6	0	115.6
50	R	26.7	Very low	29.2	Very low	229 Å²	229	147.6 Å²	147.6	86%	0.864	78%	0.776	S	S	*	*			trans	-81.9	140.8	167.1	-79.2	-175.8	177.5	168.4	1	112.8	E48	E48-R50 PolarHBondContact O-N 3.34Å; E48-R50 VanDerWaalsContact O-N 3.17Å
51	T	31.5	Very low	29.2	Very low	109 Å²	109	147.9 Å²	147.9	67%	0.669	77%	0.773	S	S	*	*			trans	-19.6	146.8	147.1	56.4	0	0	0	0	116.9
52	W	25.6	Very low	29.2	Very low	215 Å²	215	146.7 Å²	146.7	81%	0.814	77%	0.768	S	S	*	*				-169.7	147.1	129.4	-91.7	130.9	0	0	0	113.4
53	Q	26.9	Very low	29.1	Very low	139 Å²	139	149 Å²	149	65%	0.65	77%	0.772	S	S	*	*			trans	54.9	116	140.4	-67.2	162	26.4	0	0	118.9
54	S	24.2	Very low	28.9	Very low	118 Å²	118	144.3 Å²	144.3	83%	0.825	76%	0.76	S	S	*	*				79.8	134.9	90.1	-56.3	0	0	0	0	112.9
55	A	27.8	Very low	28.6	Very low	79 Å²	79	143.3 Å²	143.3	65%	0.653	75%	0.749	S	S	*	*			cis	-148	177.4	14.6	0	0	0	0	0	112.9
56	E	31.6	Very low	28.6	Very low	167 Å²	167	148.2 Å²	148.2	78%	0.78	75%	0.75	S	S	*	*			trans	62.9	119.9	153.1	-76	151.5	-172.7	0	0	118.6
57	R	25.7	Very low	28.8	Very low	222 Å²	222	149.2 Å²	149.2	84%	0.838	75%	0.751	S	S	*	*				59.2	127.3	55.3	-53.6	171.4	169	-176.9	-4.3	110
58	L	28.4	Very low	29.1	Very low	160 Å²	160	146.5 Å²	146.5	84%	0.838	75%	0.75	S	S	*	*				-162.4	167.2	51	-76.6	168.4	0	0	0	107.6
59	S	26.5	Very low	29.2	Very low	80 Å²	80	150.6 Å²	150.6	56%	0.559	76%	0.758	S	S	*	*			cis	-173.4	142	-12	47.8	0	0	0	0	106.6
60	N	30.2	Very low	28.9	Very low	143 Å²	143	147.9 Å²	147.9	77%	0.765	76%	0.762	S	S	*	*				157.8	149	104.7	-89.4	-36.7	0	0	0	109.2
61	V	28.4	Very low	29.2	Very low	109 Å²	109	140.3 Å²	140.3	66%	0.661	76%	0.755	S	S	*	*			cis	-161.1	159.7	-13.1	73.1	0	0	0	0	111.6
62	L	31	Very low	29.1	Very low	137 Å²	137	140.1 Å²	140.1	72%	0.717	77%	0.765	S	S	*	*			trans	71.3	115.6	160.1	-53.7	-179.6	0	0	0	122.2
63	L	31.3	Very low	29.7	Very low	146 Å²	146	135.9 Å²	135.9	76%	0.764	77%	0.765	S	S	*	*			trans	61	148.4	132.2	-82.8	77.9	0	0	0	122
64	T	28.1	Very low	30	Very low	102 Å²	102	135.9 Å²	135.9	63%	0.626	77%	0.774	S	S	*	*			cis	-173.2	151.9	-34.5	19	0	0	0	0	108.3
65	N	27.8	Very low	30.5	Very low	133 Å²	133	134 Å²	134	71%	0.711	77%	0.766	S	S	*	*			trans	45.2	112.2	150.2	-52.4	-17.8	0	0	0	119.1
66	Y	30	Very low	30.7	Very low	228 Å²	228	138 Å²	138	89%	0.894	77%	0.773	S	S	*	*				-176.6	139.8	93.8	-111	-81.8	0	0	0	112.1
67	A	32.6	Very low	31	Very low	90 Å²	90	138.5 Å²	138.5	74%	0.744	78%	0.776	S	S	*	*			trans	-144	136.8	163.9	0	0	0	0	0	108.8
68	P	35.5	Very low	31.2	Very low	127 Å²	127	135.1 Å²	135.1	83%	0.825	77%	0.774	S	S	*	*			trans	-106.4	133.1	168.5	30.5	-18.9	0	0	0	112.3
69	R	28.7	Very low	31.5	Very low	238 Å²	238	138.6 Å²	138.6	90%	0.898	78%	0.776	S	S	*	*			trans	-85.4	-176.4	161.3	-87.4	179.1	157.6	-162.1	-4.3	110.1
70	C	29.4	Very low	31.9	Very low	135 Å²	135	139.9 Å²	139.9	91%	0.912	79%	0.785	S	S	*	*			trans	81.9	144.8	166.7	-53	0	0	0	0	114.9
71	G	32.7	Very low	31.9	Very low	70 Å²	70	138.4 Å²	138.4	72%	0.722	79%	0.786	S	S	*	*			cis	171.7	149.2	-5.6	0	0	0	0	0	111.3
72	A	28.5	Very low	32.8	Very low	104 Å²	104	138.2 Å²	138.2	86%	0.86	79%	0.787	S	S	*	*			trans	-78.1	150.4	179.1	0	0	0	0	0	112.6
73	P	38.1	Very low	32.9	Very low	126 Å²	126	140.8 Å²	140.8	82%	0.818	79%	0.793	S	S	*	*			trans	-128.9	163.9	140.6	37.5	-28.4	0	0	0	112.9
74	T	33.5	Very low	33	Very low	139 Å²	139	143.7 Å²	143.7	85%	0.853	79%	0.794	S	S	*	*			trans	-111.1	157.2	-167.5	-31.9	0	0	0	0	112.8
75	A	34.5	Very low	33.4	Very low	78 Å²	78	150.4 Å²	150.4	65%	0.645	81%	0.808	S	S	*	*			trans	83.9	146.9	143.8	0	0	0	0	0	121.2
76	M	32.9	Very low	33.9	Very low	165 Å²	165	147.2 Å²	147.2	81%	0.813	81%	0.806	S	S	*	*			trans	67.6	135.5	163.8	-55.4	-66.1	168.5	0	0	116.1
77	Q	36.9	Very low	34.1	Very low	177 Å²	177	142.9 Å²	142.9	83%	0.827	80%	0.798	S	S	*	*			cis	-158.6	165.9	20	-132.7	158.5	35.2	0	0	112.8
78	D	30.5	Very low	34.2	Very low	151 Å²	151	146.5 Å²	146.5	81%	0.807	80%	0.804	S	S	*	*			trans	-61	147.2	177.2	-108.6	-59.2	0	0	0	115.5
79	R	34.2	Very low	34.2	Very low	232 Å²	232	144.7 Å²	144.7	88%	0.875	80%	0.8	S	S	*	*				178.4	123.5	118.6	-98.1	167.3	-175.1	-161.2	0.9	116.3
80	S	34.9	Very low	34.6	Very low	108 Å²	108	139.6 Å²	139.6	76%	0.755	80%	0.795	S	S	*	*			trans	60.3	112.6	130.2	-54.1	0	0	0	0	122.2
81	S	31.3	Very low	34.8	Very low	111 Å²	111	139.8 Å²	139.8	78%	0.776	79%	0.787	S	S	*	*			trans	-57.5	176.7	148.3	-133.9	0	0	0	0	112.3
82	P	45.4	Very low	35	Very low	106 Å²	106	140.6 Å²	140.6	69%	0.688	78%	0.782	S	S	*	*			cis	-151.2	-173.8	22.9	41.8	-18.8	0	0	0	120.1
83	F	33.1	Very low	35.3	Very low	191 Å²	191	142.6 Å²	142.6	84%	0.838	78%	0.783	S	S	*	*			trans	113.4	145.6	135	-125.7	-91	0	0	0	120.6
84	R	34.6	Very low	35.2	Very low	206 Å²	206	140.2 Å²	140.2	78%	0.777	78%	0.782	S	S	*	*			trans	-99.2	153.2	-174	-68.6	-171.9	179.3	-149.3	6.3	114.7
85	R	36.4	Very low	35.5	Very low	244 Å²	244	139.7 Å²	139.7	92%	0.921	78%	0.783	S	S	*	*			trans	-171.8	152.2	131.3	-108.2	172.1	-73.8	-173.3	-1.3	108.5
86	G	37.7	Very low	35.4	Very low	65 Å²	65	140.9 Å²	140.9	67%	0.67	79%	0.787	S	S	*	*			cis	-169.5	164.8	-5.2	0	0	0	0	0	109.7
87	D	34.4	Very low	35.8	Very low	138 Å²	138	138 Å²	138	74%	0.738	78%	0.781	S	S	*	*			trans	-89.6	149.6	-164.5	-63	-80.9	0	0	0	115.8
88	L	34.2	Very low	35.7	Very low	165 Å²	165	139.1 Å²	139.1	86%	0.864	78%	0.783	S	S	*	*			trans	41.9	120.6	146.7	-60.4	168.5	0	0	0	120.6
89	A	36.7	Very low	36.1	Very low	90 Å²	90	135.9 Å²	135.9	74%	0.744	78%	0.778	S	S	*	*				171.1	126.9	110.9	0	0	0	0	0	115.3
90	V	36.5	Very low	36.1	Very low	130 Å²	130	129.1 Å²	129.1	79%	0.788	77%	0.771	S	S	*	*				66.2	147.7	128.7	-179.9	0	0	0	0	122
91	D	34.4	Very low	36.2	Very low	139 Å²	139	131.1 Å²	131.1	74%	0.743	77%	0.772	S	S	*	*			trans	97.2	97.7	153.7	-95.1	-40.1	0	0	0	123.9
92	S	36.2	Very low	36.6	Very low	88 Å²	88	133.6 Å²	133.6	62%	0.615	77%	0.769	S	S	*	*				59.1	139	119.5	64.6	0	0	0	0	126.4
93	T	34.5	Very low	36.3	Very low	146 Å²	146	139 Å²	139	90%	0.896	78%	0.775	S	S	*	*			trans	81.2	140.2	151.7	54.1	0	0	0	0	123.1
94	G	37.3	Very low	36.3	Very low	76 Å²	76	138 Å²	138	78%	0.784	77%	0.773	S	S	*	*			trans	103.6	140.6	168.7	0	0	0	0	0	114.9
95	S	39.2	Very low	36.7	Very low	127 Å²	127	133 Å²	133	89%	0.888	77%	0.768	S	S	*	*			cis	-162.4	158.4	-25	-144.5	0	0	0	0	108.9
96	S	33.3	Very low	36.5	Very low	104 Å²	104	129.9 Å²	129.9	73%	0.727	76%	0.761	S	S	*	*			trans	-81.2	164	177.4	-169.2	0	0	0	0	112
97	P	41.2	Very low	36.3	Very low	104 Å²	104	133.8 Å²	133.8	68%	0.675	77%	0.766	S	S	*	*				-150.9	147	102.7	37.5	-20.4	0	0	0	118
98	F	34.8	Very low	36.1	Very low	201 Å²	201	132.1 Å²	132.1	88%	0.882	77%	0.765	S	S	*	*			trans	68.3	157.6	138.2	-80.2	-130.3	0	0	0	120.4
99	A	36.9	Very low	36.2	Very low	83 Å²	83	129.1 Å²	129.1	69%	0.686	76%	0.764	S	S	*	*			cis	-164.8	146.6	-27.3	0	0	0	0	0	113.5
100	A	34.7	Very low	35.9	Very low	90 Å²	90	132.4 Å²	132.4	74%	0.744	77%	0.769	S	S	*	*			trans	5.4	149.1	154.8	0	0	0	0	0	123.5
101	I	37.8	Very low	35.7	Very low	150 Å²	150	134.5 Å²	134.5	77%	0.769	78%	0.775	S	S	*	*				-166.3	107.5	116.6	-97.8	153.9	0	0	0	114.8
102	K	39.1	Very low	35.4	Very low	163 Å²	163	133 Å²	133	71%	0.709	77%	0.774	S	S	*	*			trans	53.8	129.8	135.1	-61.7	172	180	167.3	0	124.7
103	R	38.3	Very low	35.4	Very low	219 Å²	219	138.1 Å²	138.1	83%	0.826	79%	0.785	S	S	*	*			trans	85.7	110	143.2	-67.7	157.9	179.2	171.5	-4.9	118.7
104	H	34.8	Very low	35.2	Very low	170 Å²	170	136.3 Å²	136.3	79%	0.787	78%	0.778	S	S	*	*				54.7	150	56.5	-78.2	-56.5	0	0	0	115.8
105	P	42.7	Very low	35	Very low	102 Å²	102	138.7 Å²	138.7	66%	0.662	78%	0.777	S	S	*	*			cis	-147.1	161.9	-8.5	36.3	-14.5	0	0	0	119.5
106	F	31.7	Very low	34.8	Very low	178 Å²	178	136.4 Å²	136.4	78%	0.781	77%	0.766	S	S	*	*				77.1	150.9	129.9	-86.5	-132.4	0	0	0	125.7
107	L	34.3	Very low	34.6	Very low	147 Å²	147	138.6 Å²	138.6	77%	0.77	77%	0.77	S	S	*	*			trans	61.9	126.7	160.9	-59.1	159	0	0	0	117
108	S	30.2	Very low	34.4	Very low	103 Å²	103	140.7 Å²	140.7	72%	0.72	78%	0.78	S	S	*	*			cis	79.8	99.5	27.5	91.3	0	0	0	0	116.8
109	A	35.7	Very low	34.2	Very low	102 Å²	102	135.7 Å²	135.7	84%	0.843	77%	0.77	S	S	*	*			trans	-166.2	150.8	150.4	0	0	0	0	0	111.2
110	N	30.7	Very low	34.2	Very low	158 Å²	158	138.2 Å²	138.2	85%	0.845	78%	0.777	S	S	*	*			trans	-83.7	145.4	168.6	-44	-83.1	0	0	0	110.1
111	L	32.3	Very low	34.5	Very low	175 Å²	175	140 Å²	140	92%	0.916	78%	0.779	S	S	*	*				-165.3	157.2	124.3	-133.7	64.3	0	0	0	113.1
112	C	28.6	Very low	34.5	Very low	108 Å²	108	140 Å²	140	73%	0.73	78%	0.781	S	S	*	*			trans	-115.3	134.7	171.4	168	0	0	0	0	109.2
113	K	34.9	Very low	34.6	Very low	195 Å²	195	135.5 Å²	135.5	85%	0.848	78%	0.781	S	S	*	*			trans	168.3	128.1	143.1	-96.3	159.5	-175.3	179.4	0	114.7
114	S	30.4	Very low	34.4	Very low	107 Å²	107	134.3 Å²	134.3	75%	0.748	78%	0.781	S	S	*	*				68.8	162.8	126.1	-153.2	0	0	0	0	121.7
115	V	33.8	Very low	34.6	Very low	127 Å²	127	132.7 Å²	132.7	77%	0.77	78%	0.783	S	S	*	*			trans	69.1	111.5	172.4	-159.4	0	0	0	0	113.4
116	A	34.1	Very low	34.5	Very low	79 Å²	79	132.2 Å²	132.2	65%	0.653	78%	0.783	S	S	*	*			cis	92.8	139.2	36.2	0	0	0	0	0	115
117	D	30.2	Very low	34.8	Very low	150 Å²	150	130.2 Å²	130.2	80%	0.802	78%	0.78	S	S	*	*			trans	54.4	106	163.1	-53.6	-31.1	0	0	0	121.7
118	V	35.9	Very low	35.1	Very low	148 Å²	148	129.1 Å²	129.1	90%	0.897	78%	0.779	S	S	*	*			trans	-138.5	144.2	136	178.3	0	0	0	0	108.5
119	S	31.2	Very low	35.5	Very low	96 Å²	96	130.6 Å²	130.6	67%	0.671	78%	0.784	S	S	*	*			trans	-132.4	178.6	-178.1	-71.7	0	0	0	0	112
120	T	36.8	Very low	35.5	Very low	136 Å²	136	129.7 Å²	129.7	83%	0.834	78%	0.777	S	S	*	*			trans	70.5	146.3	174.7	9.8	0	0	0	0	114.6
121	T	41.9	Very low	35.7	Very low	128 Å²	128	127.9 Å²	127.9	79%	0.785	78%	0.775	S	S	*	*			cis	-140	167.2	10.7	48.1	0	0	0	0	108.6
122	D	36.1	Very low	35.8	Very low	149 Å²	149	129.7 Å²	129.7	80%	0.797	77%	0.769	S	S	*	*			cis	-159.6	-171.1	-27.9	-170.8	-97.8	0	0	0	106
123	G	41.6	Very low	36.1	Very low	69 Å²	69	132 Å²	132	71%	0.711	77%	0.771	S	S	*	*			trans	149.8	96.2	172.6	0	0	0	0	0	115.3
124	K	35.5	Very low	36.2	Very low	193 Å²	193	127.1 Å²	127.1	84%	0.839	77%	0.767	S	S	*	*			trans	-73.5	149.3	177.3	-73.6	177.1	174.1	174.8	0	114
125	V	38.4	Very low	36.3	Very low	136 Å²	136	129.9 Å²	129.9	82%	0.824	77%	0.773	S	S	*	*				-174	143.4	106.8	150.1	0	0	0	0	111.4
126	S	39.3	Very low	36.5	Very low	93 Å²	93	132.4 Å²	132.4	65%	0.65	78%	0.781	S	S	*	*			trans	-10.4	155.6	162.4	-66.9	0	0	0	0	122.1
127	D	38.9	Very low	36.5	Very low	136 Å²	136	132 Å²	132	73%	0.727	79%	0.785	S	S	*	*			cis	-167.5	165.5	-7.8	-108.5	-41.8	0	0	0	112.7
128	T	41	Very low	36.8	Very low	123 Å²	123	130.9 Å²	130.9	76%	0.755	79%	0.788	S	S	*	*			trans	23.1	138.1	156.6	-3.9	0	0	0	0	120.6
129	V	38.9	Very low	37	Very low	135 Å²	135	130.3 Å²	130.3	82%	0.818	79%	0.788	S	S	*	*			cis	-153.7	155.5	49.2	-177.6	0	0	0	0	113.8
130	A	35.7	Very low	37.6	Very low	83 Å²	83	129.4 Å²	129.4	69%	0.686	79%	0.794	S	S	*	*			trans	-70.9	-178.7	176.5	0	0	0	0	0	114.8
131	C	33.6	Very low	37.7	Very low	119 Å²	119	131.7 Å²	131.7	80%	0.804	80%	0.801	S	S	*	*			cis	-135.1	158.1	11	-62.9	0	0	0	0	109.7
132	R	36	Very low	37.5	Very low	214 Å²	214	129.4 Å²	129.4	81%	0.808	80%	0.803	S	S	*	*			cis	86.9	129	24.5	-149.7	-176.9	-166.2	-170.5	5.9	116
133	M	35	Very low	37.5	Very low	156 Å²	156	134.1 Å²	134.1	77%	0.768	81%	0.809	S	S	*	*			trans	85.2	142.8	172.9	-55.2	-50	-165.3	0	0	117.2
134	A	35.6	Very low	37	Very low	93 Å²	93	135.2 Å²	135.2	77%	0.769	81%	0.811	S	S	*	*			cis	-159.5	-178.1	-13.5	0	0	0	0	0	111.7
135	L	33.4	Very low	37.1	Very low	164 Å²	164	133.4 Å²	133.4	86%	0.859	81%	0.809	S	S	*	*			trans	-91.6	-174.9	-174	-70.1	165.1	0	0	0	114.4
136	L	38	Very low	36.9	Very low	181 Å²	181	134.6 Å²	134.6	95%	0.948	81%	0.81	S	S	*	*			trans	90.4	135.6	178.6	-52.1	164.8	0	0	0	114.6
137	G	32.9	Very low	36.8	Very low	70 Å²	70	135.6 Å²	135.6	72%	0.722	81%	0.814	S	S	*	*			cis	144.7	106.1	-14.1	0	0	0	0	0	114.9
138	S	37.9	Very low	36.4	Very low	126 Å²	126	133.4 Å²	133.4	88%	0.881	82%	0.816	S	S	*	*			trans	-176.2	135	162.9	-84.8	0	0	0	0	113.4
139	P	40.3	Very low	36.3	Very low	136 Å²	136	139.1 Å²	139.1	88%	0.883	82%	0.823	S	S	*	*			trans	-104.3	154.7	158.9	36.9	-29.2	0	0	0	112
140	G	43.1	Very low	36.3	Very low	78 Å²	78	139.4 Å²	139.4	80%	0.804	83%	0.825	S	S	*	*			trans	-142.2	131.9	-179.9	0	0	0	0	0	113.7
141	N	38.7	Very low	36.2	Very low	183 Å²	183	138.8 Å²	138.8	98%	0.979	83%	0.827	S	S	*	*			trans	-88.6	145	178.7	-81.5	-33.1	0	0	0	112.5
142	G	38.4	Very low	36.9	Very low	80 Å²	80	139 Å²	139	83%	0.825	83%	0.827	S	S	*	*			trans	-146.5	144.3	166.9	0	0	0	0	0	110.1
143	R	34.5	Very low	36.9	Very low	249 Å²	249	140.9 Å²	140.9	94%	0.94	83%	0.834	S	S	*	*			trans	-142.2	143.2	-161.2	-170.5	-176.7	-176.9	-165.5	2.4	113.4
144	A	32.7	Very low	36.7	Very low	91 Å²	91	138 Å²	138	75%	0.752	84%	0.835	S	S	*	*			trans	69	165.7	172.8	0	0	0	0	0	114.4
145	I	37.1	Very low	36.8	Very low	155 Å²	155	140.8 Å²	140.8	80%	0.795	84%	0.842	S	S	*	*			cis	-138.3	150.5	19.1	-66.7	170.9	0	0	0	110.9
146	L	33.7	Very low	36.7	Very low	162 Å²	162	138 Å²	138	85%	0.848	84%	0.836	S	S	*	*			trans	-109.1	156.2	159.8	-72.3	174.4	0	0	0	109.6
147	P	37.7	Very low	36.7	Very low	113 Å²	113	134.6 Å²	134.6	73%	0.734	83%	0.828	S	S	*	*				-143.8	163.2	109.8	38.1	-25.4	0	0	0	114.8
148	A	31.2	Very low	36.8	Very low	91 Å²	91	138.6 Å²	138.6	75%	0.752	83%	0.833	S	S	*	*			trans	-105.1	155.7	166.9	0	0	0	0	0	110.7
149	W	38.5	Very low	36.6	Very low	243 Å²	243	137.8 Å²	137.8	92%	0.92	83%	0.827	S	S	*	*			trans	-139.1	163.9	166.5	-89.6	95	0	0	0	111.4
150	V	38	Very low	36.3	Very low	141 Å²	141	140.1 Å²	140.1	86%	0.855	83%	0.828	S	S	*	*			trans	-130.1	146.2	-155.2	175.8	0	0	0	0	111.2
151	G	34.8	Very low	35.7	Very low	70 Å²	70	141.5 Å²	141.5	72%	0.722	83%	0.832	S	S	*	*			trans	153.1	128.6	158.1	0	0	0	0	0	115.8
152	P	47.9	Very low	35.6	Very low	123 Å²	123	138.6 Å²	138.6	80%	0.799	83%	0.826	S	S	*	*			trans	-122.3	168.6	-178.1	41.6	-31.1	0	0	0	114.7
153	R	35.1	Very low	35.3	Very low	254 Å²	254	139.7 Å²	139.7	96%	0.958	82%	0.821	S	S	*	*			trans	-160.6	156.7	142.6	-112.9	166.5	-170.1	-92.2	-0.9	111.3
154	A	31.5	Very low	35.5	Very low	96 Å²	96	135.3 Å²	135.3	79%	0.793	82%	0.816	S	S	*	*			trans	-133.9	158.2	-173.8	0	0	0	0	0	111.8
155	V	37.2	Very low	35.5	Very low	150 Å²	150	136.1 Å²	136.1	91%	0.909	82%	0.815	S	S	*	*			trans	-141.8	143.3	157.3	-171.9	0	0	0	0	108.2
156	S	32.6	Very low	35.3	Very low	106 Å²	106	136.6 Å²	136.6	74%	0.741	82%	0.819	S	S	*	*			trans	-85.4	163.1	-170.6	-43.4	0	0	0	0	114.6
157	S	37	Very low	35.2	Very low	110 Å²	110	136.1 Å²	136.1	77%	0.769	82%	0.817	S	S	*	*				-170.4	125	127	-82.7	0	0	0	0	114.7
158	N	35.9	Very low	35	Very low	154 Å²	154	142 Å²	142	82%	0.824	83%	0.826	S	S	*	*			trans	51.8	120	144.8	-60.9	-3.5	0	0	0	123.8
159	S	32.1	Very low	35	Very low	109 Å²	109	143 Å²	143	76%	0.762	83%	0.828	S	S	*	*				56.5	123.9	127.5	-148.1	0	0	0	0	119.2
160	M	35.5	Very low	34.8	Very low	184 Å²	184	143.2 Å²	143.2	91%	0.906	83%	0.828	S	S	*	*				-151.7	159.6	55.7	-78.8	-179.2	170.9	0	0	112.7
161	A	29.5	Very low	34.5	Very low	108 Å²	108	144.7 Å²	144.7	89%	0.893	83%	0.831	S	S	*	*			trans	-95.8	136.9	179.6	0	0	0	0	0	112.9
162	S	36.3	Very low	34.7	Very low	122 Å²	122	147.3 Å²	147.3	85%	0.853	84%	0.835	S	S	*	*			trans	-145.9	132.3	156.3	-165.3	0	0	0	0	108.4
163	S	33.3	Very low	34	Very low	102 Å²	102	150.3 Å²	150.3	71%	0.713	84%	0.838	S	S	*	*			trans	-106.3	107	-166.2	173.4	0	0	0	0	111.7
164	N	38.9	Very low	33.8	Very low	157 Å²	157	146.9 Å²	146.9	84%	0.84	83%	0.83	S	S	*	*			trans	-121.8	128.6	155.7	-83.4	-34.2	0	0	0	108.2
165	C	31	Very low	33.9	Very low	108 Å²	108	151.4 Å²	151.4	73%	0.73	84%	0.835	S	S	*	*			trans	-117	84	-172.8	44.1	0	0	0	0	111.6	L167	C165-L167 PolarHBondContact O-N 3.25Å
166	D	33.2	Very low	33.4	Very low	165 Å²	165	149.7 Å²	149.7	88%	0.882	83%	0.825	S	S	*	*			trans	-63	122.4	166.1	-68.1	-59.7	0	0	0	110.3
167	L	32.7	Very low	33.7	Very low	153 Å²	153	152.8 Å²	152.8	80%	0.801	83%	0.832	S	S	*	*			trans	-147.4	61	-177.3	-143.4	160.7	0	0	0	113.3	C165	C165-L167 PolarHBondContact O-N 3.25Å
168	Y	32	Very low	33.1	Very low	235 Å²	235	156.7 Å²	156.7	92%	0.922	84%	0.838	S	S	*	*			trans	-140.5	81.4	160.9	-109	-79.8	0	0	0	111.3
169	S	31.1	Very low	33	Very low	114 Å²	114	154 Å²	154	80%	0.797	84%	0.838	S	S	*	*			trans	-165.7	93.2	169	-86.4	0	0	0	0	112
170	R	34.3	Very low	33.2	Very low	246 Å²	246	153.2 Å²	153.2	93%	0.928	84%	0.838	S	S	*	*			trans	-179.3	102.8	153.7	-101.3	158.6	-155.7	-103.3	3.2	110.6
171	L	33.7	Very low	33.1	Very low	173 Å²	173	150 Å²	150	91%	0.906	83%	0.833	S	S	*	*			trans	-116.7	124.5	156.9	-83.5	169.4	0	0	0	107.6
172	P	37.9	Very low	33.3	Very low	124 Å²	124	150.6 Å²	150.6	81%	0.805	83%	0.828	S	S	*	*			trans	-80.9	143.8	179.3	32.2	-33.4	0	0	0	111.5
173	Q	33.6	Very low	33.1	Very low	186 Å²	186	152.1 Å²	152.1	87%	0.869	83%	0.826	S	S	*	*			trans	-84.9	131.9	177	-79.3	-175.3	-21.3	0	0	112.8
174	K	31.4	Very low	33.3	Very low	183 Å²	183	157.9 Å²	157.9	80%	0.796	83%	0.832	S	S	*	*			trans	53.6	117.1	130.1	-167.3	-176	-172.9	180	0	119
175	Q	33.4	Very low	32.8	Very low	191 Å²	191	157.9 Å²	157.9	89%	0.893	83%	0.832	S	S	*	*			trans	-144.7	149.7	135.7	-112.7	170.4	15.9	0	0	110.4
176	T	26.3	Very low	33.1	Very low	113 Å²	113	162 Å²	162	69%	0.693	84%	0.841	S	S	*	*			trans	-136	127.8	-173.8	-50.1	0	0	0	0	108.2
177	L	37.6	Very low	32.8	Very low	172 Å²	172	162.7 Å²	162.7	90%	0.901	84%	0.838	S	S	*	*			trans	-141.9	133.9	173.5	-78.2	172.7	0	0	0	109.1
178	E	26.1	Very low	32.9	Very low	191 Å²	191	163.7 Å²	163.7	89%	0.893	84%	0.843	S	S	*	*			trans	-94.7	148.7	170.3	-57.1	-178	124.8	0	0	110.1
179	A	33.1	Very low	32.8	Very low	99 Å²	99	155.1 Å²	155.1	82%	0.818	83%	0.826	S	S	*	*			trans	-175.5	124.9	135.9	0	0	0	0	0	113.2
180	A	35.5	Very low	32.8	Very low	92 Å²	92	158.1 Å²	158.1	76%	0.76	83%	0.827	S	S	*	*			trans	3.8	125.6	153.5	0	0	0	0	0	121.1
181	S	34.3	Very low	32.6	Very low	116 Å²	116	151.9 Å²	151.9	81%	0.811	82%	0.818	S	S	*	*				167.6	131.7	101.7	-71.3	0	0	0	0	112.6
182	P	32.6	Very low	32.7	Very low	121 Å²	121	148.7 Å²	148.7	79%	0.786	81%	0.805	S	S	*	*			trans	-104	140.2	178.7	36.7	-30.4	0	0	0	113.7
183	L	33.6	Very low	32.5	Very low	153 Å²	153	149.5 Å²	149.5	80%	0.801	80%	0.796	S	S	*	*			trans	-153.6	123.8	156.7	-86.1	-167.7	0	0	0	113.9
184	R	36.3	Very low	32.3	Very low	223 Å²	223	147.8 Å²	147.8	84%	0.842	79%	0.793	S	S	*	*			trans	75.9	122.8	145.3	-63.9	177.4	-175.8	-162.8	-1.4	120.1
185	D	29.9	Very low	32.4	Very low	158 Å²	158	145.4 Å²	145.4	85%	0.845	79%	0.788	S	S	*	*			trans	-77	151.2	173.5	-38.3	-98.1	0	0	0	112.4
186	H	35.8	Very low	32.3	Very low	195 Å²	195	141.4 Å²	141.4	90%	0.903	78%	0.779	S	S	*	*			trans	-142.8	139.2	143.1	-154.6	56.2	0	0	0	109.3
187	E	28.3	Very low	32.5	Very low	179 Å²	179	141.3 Å²	141.3	84%	0.836	79%	0.789	S	S	*	*			trans	-89	120.1	-165.8	-56.8	-176.7	127.8	0	0	113.1
188	I	35	Very low	32.2	Very low	174 Å²	174	137.3 Å²	137.3	89%	0.892	77%	0.772	S	S	*	*			trans	-158.2	136.6	133.8	-46.3	-176.9	0	0	0	105.6
189	G	29	Very low	32.6	Very low	55 Å²	55	131.4 Å²	131.4	57%	0.567	75%	0.752	S	S	*	*			cis	160.7	123.6	-5.4	0	0	0	0	0	109.8
190	H	31.5	Very low	33.1	Very low	177 Å²	177	129.4 Å²	129.4	82%	0.819	73%	0.731	S	S	*	*			trans	64.7	109.6	172.2	-51.3	-78	0	0	0	120.5	V192	H190-V192 HydrophobicContact CB-CG2 4.31Å
191	P	30.4	Very low	33.6	Very low	114 Å²	114	131.1 Å²	131.1	74%	0.74	72%	0.723	S	S	*	*			trans	-98.3	102.9	151.4	33.7	-25.5	0	0	0	111
192	V	35.7	Very low	34.5	Very low	106 Å²	106	133.3 Å²	133.3	64%	0.642	72%	0.72	S	S	*	*			trans	-93.8	109.6	174	-177.3	0	0	0	0	107.1	H190 L195	H190-V192 HydrophobicContact CB-CG2 4.31Å; V192-L195 HydrophobicContact CG1-CD1 3.74Å
193	K	32.8	Very low	35.9	Very low	141 Å²	141	131.3 Å²	131.3	61%	0.613	70%	0.703	S	S	*	*				57.3	79	52.4	-88.5	-160.5	170.5	-165.7	0	113.8	L195	K193-L195 PolarHBondContact O-N 3.27Å
194	D	30.4	Very low	37.9	Very low	151 Å²	151	128.7 Å²	128.7	81%	0.807	70%	0.695	S	S	*	*			trans	39.8	81.1	139.1	-43.7	-53.6	0	0	0	116.4
195	L	33.7	Very low	39.7	Very low	132 Å²	132	121.2 Å²	121.2	69%	0.691	67%	0.671	S	S	*	*			trans	-87.5	146.6	158.2	-96	70.3	0	0	0	109.8	V192 K193	V192-L195 HydrophobicContact CG1-CD1 3.74Å; K193-L195 PolarHBondContact O-N 3.27Å
196	P	30.4	Very low	41.9	Very low	108 Å²	108	115.4 Å²	115.4	70%	0.701	64%	0.642	S	S	*	*			trans	-64	164.9	170.9	30.4	-35.9	0	0	0	110.9	V198	P196-V198 VanDerWaalsContact C-N 3.29Å; P196-V198 PolarHBondContact O-N 3.1Å
197	A	30.1	Very low	43.9	Very low	110 Å²	110	112 Å²	112	91%	0.909	64%	0.637	S	S	*	*			trans	-69	85.2	173.9	0	0	0	0	0	110.8	S199	A197-S199 PolarHBondContact O-N 2.96Å
198	V	32.4	Very low	46.4	Very low	88 Å²	88	105 Å²	105	53%	0.533	61%	0.613	S	S	.	*			trans	-58.5	126.3	168.7	-179.2	0	0	0	0	108	P196	P196-V198 VanDerWaalsContact C-N 3.29Å; P196-V198 PolarHBondContact O-N 3.1Å
199	S	33.7	Very low	48.9	Very low	68 Å²	68	99 Å²	99	48%	0.476	58%	0.579	S	S	.	*			trans	-57.5	140.7	174.2	42.3	0	0	0	0	109.7	A197 E201	A197-S199 PolarHBondContact O-N 2.96Å; S199-E201 PolarHBondContact O-N 3.14Å
200	P	43.9	Very low	51.7	Low	57 Å²	57	98 Å²	98	37%	0.37	56%	0.564	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.3	21.3	-170.6	35.5	-39.5	0	0	0	113.2	R219	P200-R219 VanDerWaalsContact O-CZ 3.25Å; P200-R219 PolarHBondContact O-NH1 3.48Å; P200-R219 PolarHBondContact O-NH2 2.72Å
201	E	46.2	Very low	54.4	Low	128 Å²	128	92.4 Å²	92.4	60%	0.598	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-20	-178.4	-119.1	89.6	-112.8	0	0	113.6	S199 R219	S199-E201 PolarHBondContact O-N 3.14Å; E201-R219 IonicContact OE1-CZ 2.79Å; E201-R219 IonicContact OE1-NH1 3.95Å; E201-R219 PolarHBondContact OE1-NH1 2.95Å
202	E	53.6	Low	57	Low	161 Å²	161	87.3 Å²	87.3	75%	0.752	51%	0.51	S	S	*	.	S	Bend	trans	-113.4	10.3	-167.4	-155.2	166.5	-152.2	0	0	113.8
203	L	61.8	Low	59.5	Low	80 Å²	80	89.9 Å²	89.9	42%	0.419	51%	0.508	S	S	.	.	S	Bend	trans	-79.5	131.6	172.8	-76.4	166.2	0	0	0	110.6
204	P	74.2	Confident	61.8	Low	97 Å²	97	84.8 Å²	84.8	63%	0.63	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-70.2	138.3	177.5	28.3	-34	0	0	0	111.6	L235	P204-L235 WeakPolarHBondContact O-CD1 3.38Å
205	L	75.8	Confident	64	Low	67 Å²	67	84.6 Å²	84.6	35%	0.351	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-74.1	142.1	177.1	-62.1	171.6	0	0	0	111.2	W209 V211 F221	L205-W209 HydrophobicContact CB-CB 4.18Å; L205-V211 HydrophobicContact CD1-CG2 4.03Å; L205-V211 HydrophobicContact CD2-CG2 4.13Å; L205-F221 HydrophobicContact CD2-CD1 3.82Å; L205-F221 HydrophobicContact CD2-CE1 3.92Å
206	P	76.1	Confident	65.7	Low	36 Å²	36	84 Å²	84	23%	0.234	49%	0.487	C	S	.	.	P	Polyproline II helix	trans	-63.3	157	169.7	-19.5	31.7	0	0	0	112.4	G208 W209 P234 L235	P206-G208 PolarHBondContact O-N 3.35Å; P206-W209 HydrophobicContact CB-CG 4.31Å; P206-W209 HydrophobicContact CG-CG 4.37Å; P206-W209 WeakPolarHBondContact O-CB 3.46Å; P206-W209 PolarHBondContact O-N 3.42Å; P206-P234 VanDerWaalsContact CD-CG 3.43Å; P206-P234 HydrophobicContact CG-CB 3.99Å; P206-P234 HydrophobicContact CG-CG 3.79Å; P206-L235 HydrophobicContact CG-CD2 4.36Å
207	P	76.1	Confident	68	Low	123 Å²	123	81.3 Å²	81.3	80%	0.799	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	132	174.9	-27.5	36.1	0	0	0	113	W209 N225	P207-W209 VanDerWaalsContact C-N 3.33Å; P207-N225 PolarHBondContact O-ND2 3.44Å; P207-N225 VanDerWaalsContact O-ND2 3.08Å
208	G	82.1	Confident	70.2	Confident	32 Å²	32	82.9 Å²	82.9	33%	0.33	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	2.5	-175.8	0	0	0	0	0	115.1	P206 H224	P206-G208 PolarHBondContact O-N 3.35Å; G208-H224 VanDerWaalsContact O-CB 3.27Å; G208-H224 WeakPolarHBondContact O-CB 3.24Å; G208-H224 PolarHBondContact O-CD2 3.45Å; G208-H224 PolarHBondContact O-N 2.91Å
209	W	87.1	Confident	72.7	Confident	49 Å²	49	80.8 Å²	80.8	19%	0.186	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	140.9	173.7	-69.6	63.8	0	0	0	112.2	L205 P206 P207 F221 I222 D223 H230 P234	L205-W209 HydrophobicContact CB-CB 4.18Å; P206-W209 HydrophobicContact CB-CG 4.31Å; P206-W209 HydrophobicContact CG-CG 4.37Å; P206-W209 WeakPolarHBondContact O-CB 3.46Å; P206-W209 PolarHBondContact O-N 3.42Å; P207-W209 VanDerWaalsContact C-N 3.33Å; W209-F221 HydrophobicContact CE3-CB 3.85Å; W209-F221 HydrophobicContact CZ3-CB 3.81Å; W209-I222 CarbonylContact C-O 3.53Å; W209-I222 VanDerWaalsContact CA-O 3.26Å; W209-I222 WeakPolarHBondContact CA-O 3.44Å; W209-D223 HydrophobicContact CD2-CB 3.99Å; W209-D223 HydrophobicContact CE3-CB 4.28Å; W209-D223 HydrophobicContact CH2-CB 4.06Å; W209-D223 HydrophobicContact CZ2-CB 3.71Å; W209-D223 HydrophobicContact CZ3-CB 4.32Å; W209-D223 PolarHBondContact NE1-OD1 2.66Å; W209-H230 HydrophobicContact CH2-CB 4.43Å; W209-H230 AromaticContact CH2-CE1 3.67Å; W209-H230 AromaticContact CH2-CG 3.87Å; W209-H230 AromaticContact CH2-ND1 3.32Å; W209-H230 VanDerWaalsContact CH2-ND1 3.32Å; W209-H230 WeakPolarHBondContact CH2-ND1 3.41Å; W209-H230 HydrophobicContact CZ3-CB 4.14Å; W209-H230 AromaticContact CZ3-ND1 3.63Å; W209-P234 HydrophobicContact CD2-CB 4.05Å; W209-P234 HydrophobicContact CD2-CG 3.86Å; W209-P234 HydrophobicContact CE3-CB 3.88Å; W209-P234 HydrophobicContact CE3-CG 3.57Å; W209-P234 HydrophobicContact CG-CG 4.44Å; W209-P234 HydrophobicContact CH2-CB 3.78Å; W209-P234 HydrophobicContact CH2-CG 4.4Å; W209-P234 HydrophobicContact CZ2-CB 3.97Å; W209-P234 HydrophobicContact CZ3-CB 3.74Å; W209-P234 HydrophobicContact CZ3-CG 3.87Å
210	S	87.7	Confident	75.1	Confident	34 Å²	34	80.3 Å²	80.3	24%	0.238	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	162.6	171.2	67.3	0	0	0	0	111.9	I222 H224	S210-I222 PolarHBondContact N-O 2.96Å; S210-I222 PolarHBondContact O-N 3.1Å; S210-H224 WeakPolarHBondContact CB-NE2 3.47Å; S210-H224 PolarHBondContact OG-CE1 3.42Å; S210-H224 PolarHBondContact OG-NE2 3.43Å
211	V	88.6	Confident	77.2	Confident	58 Å²	58	77.7 Å²	77.7	35%	0.352	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	121.3	174.1	170.3	0	0	0	0	109.6	L205 W213 R219 F221	L205-V211 HydrophobicContact CD1-CG2 4.03Å; L205-V211 HydrophobicContact CD2-CG2 4.13Å; V211-W213 HydrophobicContact CG1-CZ2 4.45Å; V211-R219 HydrophobicContact CG1-CB 4.42Å; V211-F221 HydrophobicContact CG2-CD1 3.84Å; V211-F221 HydrophobicContact CG2-CE1 3.52Å; V211-F221 HydrophobicContact CG2-CZ 4.47Å
212	G	85.2	Confident	79.1	Confident	8 Å²	8	73.3 Å²	73.3	8%	0.082	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	158	164.9	0	0	0	0	0	111.4	R219 Y220	G212-R219 CarbonylContact O-C 3.56Å; G212-R219 WeakPolarHBondContact O-CA 3.3Å; G212-Y220 VanDerWaalsContact C-CD1 3.49Å; G212-Y220 PolarHBondContact N-O 2.71Å; G212-Y220 WeakPolarHBondContact O-CD1 3.42Å; G212-Y220 PolarHBondContact O-N 3.34Å; G212-Y220 VanDerWaalsContact O-O 3.13Å
213	W	87.4	Confident	80.7	Confident	159 Å²	159	66.2 Å²	66.2	60%	0.602	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.3	125.6	173.2	-66	87.4	0	0	0	108.7	V211 G217 R219 Y220	V211-W213 HydrophobicContact CG1-CZ2 4.45Å; W213-G217 VanDerWaalsContact CE3-O 3.28Å; W213-G217 WeakPolarHBondContact CZ3-O 3.46Å; W213-R219 HydrophobicContact CD2-CB 4.17Å; W213-R219 HydrophobicContact CE3-CB 3.88Å; W213-R219 HydrophobicContact CH2-CB 3.97Å; W213-R219 HydrophobicContact CZ2-CB 4.24Å; W213-R219 HydrophobicContact CZ3-CB 3.78Å; W213-Y220 VanDerWaalsContact C-CE1 3.49Å
214	T	81.2	Confident	81.7	Confident	35 Å²	35	66.6 Å²	66.6	22%	0.215	36%	0.361	C	S	.	.			trans	-69.5	159.5	173.8	58.6	0	0	0	0	110.4	H216 G217 R218 Y220 W231	T214-H216 PolarHBondContact O-N 3.13Å; T214-G217 PolarHBondContact O-N 2.81Å; T214-R218 WeakPolarHBondContact CG2-O 3.32Å; T214-R218 PolarHBondContact N-O 2.83Å; T214-R218 WeakPolarHBondContact OG1-CB 3.07Å; T214-R218 PolarHBondContact OG1-N 3.36Å; T214-R218 VanDerWaalsContact OG1-N 3.11Å; T214-R218 PolarHBondContact OG1-O 2.65Å; T214-Y220 HydrophobicContact CG2-CD1 3.67Å; T214-Y220 HydrophobicContact CG2-CE1 3.9Å; T214-W231 HydrophobicContact CG2-CH2 3.94Å; T214-W231 HydrophobicContact CG2-CZ3 4Å
215	V	76.8	Confident	81.8	Confident	146 Å²	146	67.3 Å²	67.3	89%	0.885	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-15.6	172.6	-60.1	0	0	0	0	113.8
216	H	68.9	Low	82.1	Confident	121 Å²	121	68 Å²	68	56%	0.56	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	14.7	174.7	-56.8	99.8	0	0	0	113.2	T214 R218	T214-H216 PolarHBondContact O-N 3.13Å; H216-R218 PolarHBondContact O-N 3.35Å; H216-R218 VanDerWaalsContact O-N 3.09Å
217	G	79.1	Confident	82.4	Confident	50 Å²	50	73.4 Å²	73.4	52%	0.515	39%	0.389	S	S	.	.	S	Bend	trans	71.4	-1.2	179.3	0	0	0	0	0	115.5	W213 T214 R219	W213-G217 VanDerWaalsContact CE3-O 3.28Å; W213-G217 WeakPolarHBondContact CZ3-O 3.46Å; T214-G217 PolarHBondContact O-N 2.81Å; G217-R219 PolarHBondContact O-N 2.98Å
218	R	75.9	Confident	82.2	Confident	144 Å²	144	70.2 Å²	70.2	54%	0.543	37%	0.367	S	S	.	.			trans	-77.7	122	174.7	-174.5	176.1	-177.8	173.2	2.3	110.1	T214 H216 W231	T214-R218 WeakPolarHBondContact CG2-O 3.32Å; T214-R218 PolarHBondContact N-O 2.83Å; T214-R218 WeakPolarHBondContact OG1-CB 3.07Å; T214-R218 PolarHBondContact OG1-N 3.36Å; T214-R218 VanDerWaalsContact OG1-N 3.11Å; T214-R218 PolarHBondContact OG1-O 2.65Å; H216-R218 PolarHBondContact O-N 3.35Å; H216-R218 VanDerWaalsContact O-N 3.09Å; R218-W231 HydrophobicContact CG-CE3 4.38Å; R218-W231 HydrophobicContact CG-CZ3 4.12Å
219	R	84.8	Confident	82.4	Confident	43 Å²	43	72.9 Å²	72.9	16%	0.162	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	148.4	171.1	76.1	-170.1	-157.1	158.3	16.8	112.1	P200 E201 V211 G212 W213 G217	P200-R219 VanDerWaalsContact O-CZ 3.25Å; P200-R219 PolarHBondContact O-NH1 3.48Å; P200-R219 PolarHBondContact O-NH2 2.72Å; E201-R219 IonicContact OE1-CZ 2.79Å; E201-R219 IonicContact OE1-NH1 3.95Å; E201-R219 PolarHBondContact OE1-NH1 2.95Å; V211-R219 HydrophobicContact CG1-CB 4.42Å; G212-R219 CarbonylContact O-C 3.56Å; G212-R219 WeakPolarHBondContact O-CA 3.3Å; W213-R219 HydrophobicContact CD2-CB 4.17Å; W213-R219 HydrophobicContact CE3-CB 3.88Å; W213-R219 HydrophobicContact CH2-CB 3.97Å; W213-R219 HydrophobicContact CZ2-CB 4.24Å; W213-R219 HydrophobicContact CZ3-CB 3.78Å; G217-R219 PolarHBondContact O-N 2.98Å
220	Y	85	Confident	82.1	Confident	58 Å²	58	74.2 Å²	74.2	23%	0.227	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	162.1	171.5	65.9	-83.8	0	0	0	110.1	G212 W213 T214 I222 T229	G212-Y220 VanDerWaalsContact C-CD1 3.49Å; G212-Y220 PolarHBondContact N-O 2.71Å; G212-Y220 WeakPolarHBondContact O-CD1 3.42Å; G212-Y220 PolarHBondContact O-N 3.34Å; G212-Y220 VanDerWaalsContact O-O 3.13Å; W213-Y220 VanDerWaalsContact C-CE1 3.49Å; T214-Y220 HydrophobicContact CG2-CD1 3.67Å; T214-Y220 HydrophobicContact CG2-CE1 3.9Å; Y220-I222 HydrophobicContact CD2-CG1 3.91Å; Y220-I222 HydrophobicContact CE2-CD1 3.84Å; Y220-I222 HydrophobicContact CE2-CG1 3.5Å; Y220-T229 HydrophobicContact CD2-CG2 3.87Å; Y220-T229 HydrophobicContact CE2-CG2 3.8Å
221	F	88	Confident	81.9	Confident	2 Å²	2	79.1 Å²	79.1	1%	0.009	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	121.6	-173.1	-63.5	-81.3	0	0	0	109.8	L205 W209 V211 T229 H230 N232 H233	L205-F221 HydrophobicContact CD2-CD1 3.82Å; L205-F221 HydrophobicContact CD2-CE1 3.92Å; W209-F221 HydrophobicContact CE3-CB 3.85Å; W209-F221 HydrophobicContact CZ3-CB 3.81Å; V211-F221 HydrophobicContact CG2-CD1 3.84Å; V211-F221 HydrophobicContact CG2-CE1 3.52Å; V211-F221 HydrophobicContact CG2-CZ 4.47Å; F221-T229 CarbonylContact O-C 3.2Å; F221-T229 WeakPolarHBondContact O-CA 3.46Å; F221-H230 HydrophobicContact CB-CB 4.34Å; F221-H230 PolarHBondContact N-O 3.44Å; F221-H230 PolarHBondContact O-N 3.27Å; F221-N232 WeakPolarHBondContact CD2-O 3.37Å; F221-H233 HydrophobicContact CE1-CB 4.25Å; F221-H233 AromaticContact CE1-CD2 3.32Å; F221-H233 WeakPolarHBondContact CE1-CD2 3.46Å; F221-H233 HydrophobicContact CE2-CB 3.92Å; F221-H233 HydrophobicContact CZ-CB 3.78Å; F221-H233 AromaticContact CZ-CD2 3.57Å
222	I	86.9	Confident	81.3	Confident	37 Å²	37	81 Å²	81	19%	0.19	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	120.5	-179.3	-53.4	170.7	0	0	0	107.4	W209 S210 Y220 T229	W209-I222 CarbonylContact C-O 3.53Å; W209-I222 VanDerWaalsContact CA-O 3.26Å; W209-I222 WeakPolarHBondContact CA-O 3.44Å; S210-I222 PolarHBondContact N-O 2.96Å; S210-I222 PolarHBondContact O-N 3.1Å; Y220-I222 HydrophobicContact CD2-CG1 3.91Å; Y220-I222 HydrophobicContact CE2-CD1 3.84Å; Y220-I222 HydrophobicContact CE2-CG1 3.5Å; I222-T229 HydrophobicContact CG1-CG2 4.25Å
223	D	86.9	Confident	80.8	Confident	12 Å²	12	81.1 Å²	81.1	6%	0.064	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	103.3	169.3	178.1	17.2	0	0	0	109.1	W209 N225 T226 Q227 T228	W209-D223 HydrophobicContact CD2-CB 3.99Å; W209-D223 HydrophobicContact CE3-CB 4.28Å; W209-D223 HydrophobicContact CH2-CB 4.06Å; W209-D223 HydrophobicContact CZ2-CB 3.71Å; W209-D223 HydrophobicContact CZ3-CB 4.32Å; W209-D223 PolarHBondContact NE1-OD1 2.66Å; D223-N225 PolarHBondContact O-N 2.9Å; D223-N225 WeakPolarHBondContact OD1-CB 3.42Å; D223-N225 PolarHBondContact OD1-N 3.47Å; D223-N225 PolarHBondContact OD1-ND2 2.96Å; D223-T226 VanDerWaalsContact CG-OG1 3.28Å; D223-T226 PolarHBondContact O-N 3.4Å; D223-T226 WeakPolarHBondContact OD2-CB 3.36Å; D223-T226 VanDerWaalsContact OD2-CG2 3.24Å; D223-T226 WeakPolarHBondContact OD2-CG2 3.27Å; D223-T226 PolarHBondContact OD2-N 3.36Å; D223-T226 PolarHBondContact OD2-OG1 2.92Å; D223-Q227 VanDerWaalsContact O-CA 3.28Å; D223-Q227 WeakPolarHBondContact O-CA 3.29Å; D223-Q227 PolarHBondContact O-N 2.89Å; D223-T228 PolarHBondContact N-O 3.01Å; D223-T228 PolarHBondContact O-N 3.01Å
224	H	82.8	Confident	79.8	Confident	88 Å²	88	75.5 Å²	75.5	41%	0.407	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-15.2	177.7	-58.3	-63.4	0	0	0	112.8	G208 S210 Q227	G208-H224 VanDerWaalsContact O-CB 3.27Å; G208-H224 WeakPolarHBondContact O-CB 3.24Å; G208-H224 PolarHBondContact O-CD2 3.45Å; G208-H224 PolarHBondContact O-N 2.91Å; S210-H224 WeakPolarHBondContact CB-NE2 3.47Å; S210-H224 PolarHBondContact OG-CE1 3.42Å; S210-H224 PolarHBondContact OG-NE2 3.43Å; H224-Q227 PolarHBondContact O-NE2 3.03Å
225	N	76.3	Confident	78.8	Confident	111 Å²	111	78.5 Å²	78.5	59%	0.594	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-35.9	177.3	-49.4	-67.5	0	0	0	111.4	P207 D223	P207-N225 PolarHBondContact O-ND2 3.44Å; P207-N225 VanDerWaalsContact O-ND2 3.08Å; D223-N225 PolarHBondContact O-N 2.9Å; D223-N225 WeakPolarHBondContact OD1-CB 3.42Å; D223-N225 PolarHBondContact OD1-N 3.47Å; D223-N225 PolarHBondContact OD1-ND2 2.96Å
226	T	80.4	Confident	78	Confident	82 Å²	82	76 Å²	76	50%	0.503	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-8.2	178	61.1	0	0	0	0	114.3	D223 T228	D223-T226 VanDerWaalsContact CG-OG1 3.28Å; D223-T226 PolarHBondContact O-N 3.4Å; D223-T226 WeakPolarHBondContact OD2-CB 3.36Å; D223-T226 VanDerWaalsContact OD2-CG2 3.24Å; D223-T226 WeakPolarHBondContact OD2-CG2 3.27Å; D223-T226 PolarHBondContact OD2-N 3.36Å; D223-T226 PolarHBondContact OD2-OG1 2.92Å; T226-T228 VanDerWaalsContact C-N 3.28Å; T226-T228 PolarHBondContact O-N 3.44Å; T226-T228 PolarHBondContact OG1-OG1 3.24Å
227	Q	83	Confident	77.3	Confident	149 Å²	149	79.9 Å²	79.9	70%	0.696	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	38.3	-171.5	-58.3	-66.9	-39.7	0	0	112.8	D223 H224	D223-Q227 VanDerWaalsContact O-CA 3.28Å; D223-Q227 WeakPolarHBondContact O-CA 3.29Å; D223-Q227 PolarHBondContact O-N 2.89Å; H224-Q227 PolarHBondContact O-NE2 3.03Å
228	T	72.9	Confident	76.4	Confident	56 Å²	56	81 Å²	81	34%	0.344	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	161.7	179.4	65.1	0	0	0	0	112.4	D223 T226 H230	D223-T228 PolarHBondContact N-O 3.01Å; D223-T228 PolarHBondContact O-N 3.01Å; T226-T228 VanDerWaalsContact C-N 3.28Å; T226-T228 PolarHBondContact O-N 3.44Å; T226-T228 PolarHBondContact OG1-OG1 3.24Å; T228-H230 PolarHBondContact OG1-CE1 3.44Å
229	T	86.4	Confident	75.2	Confident	88 Å²	88	81.6 Å²	81.6	54%	0.54	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	133.3	177.2	54.3	0	0	0	0	111.7	Y220 F221 I222	Y220-T229 HydrophobicContact CD2-CG2 3.87Å; Y220-T229 HydrophobicContact CE2-CG2 3.8Å; F221-T229 CarbonylContact O-C 3.2Å; F221-T229 WeakPolarHBondContact O-CA 3.46Å; I222-T229 HydrophobicContact CG1-CG2 4.25Å
230	H	80.7	Confident	74.3	Confident	78 Å²	78	81.5 Å²	81.5	36%	0.361	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	141.8	-175.7	-65.1	89.7	0	0	0	110.8	W209 F221 T228	W209-H230 HydrophobicContact CH2-CB 4.43Å; W209-H230 AromaticContact CH2-CE1 3.67Å; W209-H230 AromaticContact CH2-CG 3.87Å; W209-H230 AromaticContact CH2-ND1 3.32Å; W209-H230 VanDerWaalsContact CH2-ND1 3.32Å; W209-H230 WeakPolarHBondContact CH2-ND1 3.41Å; W209-H230 HydrophobicContact CZ3-CB 4.14Å; W209-H230 AromaticContact CZ3-ND1 3.63Å; F221-H230 HydrophobicContact CB-CB 4.34Å; F221-H230 PolarHBondContact N-O 3.44Å; F221-H230 PolarHBondContact O-N 3.27Å; T228-H230 PolarHBondContact OG1-CE1 3.44Å
231	W	83.7	Confident	73.5	Confident	136 Å²	136	81.3 Å²	81.3	52%	0.515	41%	0.412	S	S	.	.	S	Bend	trans	-87.4	-15.3	-179.5	-67.1	108.3	0	0	0	114.5	T214 R218	T214-W231 HydrophobicContact CG2-CH2 3.94Å; T214-W231 HydrophobicContact CG2-CZ3 4Å; R218-W231 HydrophobicContact CG-CE3 4.38Å; R218-W231 HydrophobicContact CG-CZ3 4.12Å
232	N	76	Confident	72.2	Confident	99 Å²	99	89 Å²	89	53%	0.529	45%	0.452	S	S	.	.	S	Bend	trans	-112.8	151.7	179.1	-51.9	-12.6	0	0	0	108.3	F221 E236	F221-N232 WeakPolarHBondContact CD2-O 3.37Å; N232-E236 WeakPolarHBondContact CA-OE2 3.45Å; N232-E236 HydrophobicContact CB-CB 4.48Å
233	H	74.3	Confident	71.5	Confident	9 Å²	9	88.3 Å²	88.3	4%	0.042	45%	0.454	C	S	.	.			trans	-62.4	141	174.9	-172	-88.1	0	0	0	109.7	F221 L235 E236	F221-H233 HydrophobicContact CE1-CB 4.25Å; F221-H233 AromaticContact CE1-CD2 3.32Å; F221-H233 WeakPolarHBondContact CE1-CD2 3.46Å; F221-H233 HydrophobicContact CE2-CB 3.92Å; F221-H233 HydrophobicContact CZ-CB 3.78Å; F221-H233 AromaticContact CZ-CD2 3.57Å; H233-L235 WeakPolarHBondContact ND1-CB 3.36Å; H233-L235 PolarHBondContact ND1-N 3.21Å; H233-L235 PolarHBondContact O-N 3.08Å; H233-L235 VanDerWaalsContact O-N 3.07Å; H233-E236 HydrophobicContact CB-CB 3.96Å; H233-E236 HydrophobicContact CB-CG 4.41Å; H233-E236 PolarHBondContact N-OE2 2.95Å; H233-E236 VanDerWaalsContact O-CB 3.25Å; H233-E236 WeakPolarHBondContact O-CB 3.41Å; H233-E236 PolarHBondContact O-N 2.91Å
234	P	65.9	Low	71.2	Confident	42 Å²	42	89.9 Å²	89.9	27%	0.273	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-21.8	179.8	21.8	-34.3	0	0	0	114.1	P206 W209	P206-P234 VanDerWaalsContact CD-CG 3.43Å; P206-P234 HydrophobicContact CG-CB 3.99Å; P206-P234 HydrophobicContact CG-CG 3.79Å; W209-P234 HydrophobicContact CD2-CB 4.05Å; W209-P234 HydrophobicContact CD2-CG 3.86Å; W209-P234 HydrophobicContact CE3-CB 3.88Å; W209-P234 HydrophobicContact CE3-CG 3.57Å; W209-P234 HydrophobicContact CG-CG 4.44Å; W209-P234 HydrophobicContact CH2-CB 3.78Å; W209-P234 HydrophobicContact CH2-CG 4.4Å; W209-P234 HydrophobicContact CZ2-CB 3.97Å; W209-P234 HydrophobicContact CZ3-CB 3.74Å; W209-P234 HydrophobicContact CZ3-CG 3.87Å
235	L	60.6	Low	71.1	Confident	97 Å²	97	88.8 Å²	88.8	51%	0.508	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	11.5	173.9	-47.9	179.8	0	0	0	113.3	P204 P206 H233	P204-L235 WeakPolarHBondContact O-CD1 3.38Å; P206-L235 HydrophobicContact CG-CD2 4.36Å; H233-L235 WeakPolarHBondContact ND1-CB 3.36Å; H233-L235 PolarHBondContact ND1-N 3.21Å; H233-L235 PolarHBondContact O-N 3.08Å; H233-L235 VanDerWaalsContact O-N 3.07Å
236	E	59.4	Low	71.2	Confident	93 Å²	93	87.4 Å²	87.4	44%	0.435	44%	0.443	S	S	.	.	S	Bend	trans	-69.8	138.9	177	-140.5	164	159.8	0	0	110.5	N232 H233 E238	N232-E236 WeakPolarHBondContact CA-OE2 3.45Å; N232-E236 HydrophobicContact CB-CB 4.48Å; H233-E236 HydrophobicContact CB-CB 3.96Å; H233-E236 HydrophobicContact CB-CG 4.41Å; H233-E236 PolarHBondContact N-OE2 2.95Å; H233-E236 VanDerWaalsContact O-CB 3.25Å; H233-E236 WeakPolarHBondContact O-CB 3.41Å; H233-E236 PolarHBondContact O-N 2.91Å; E236-E238 PolarHBondContact O-N 3.48Å
237	K	54.5	Low	71.3	Confident	204 Å²	204	85.4 Å²	85.4	89%	0.887	43%	0.43	S	S	*	.			trans	-78.1	90.8	-172.7	-153.5	172.2	-170.8	174.8	0	109.5
238	E	59.5	Low	70.8	Confident	74 Å²	74	84.9 Å²	84.9	35%	0.346	43%	0.431	S	S	.	.			trans	-47.7	145.9	-178.5	-75.8	171.9	169.4	0	0	113	E236 L240 K246 H268	E236-E238 PolarHBondContact O-N 3.48Å; E238-L240 HydrophobicContact CB-CD1 3.37Å; E238-L240 VanDerWaalsContact O-CD1 3.27Å; E238-L240 WeakPolarHBondContact O-CD1 3.45Å; E238-L240 PolarHBondContact O-N 3.46Å; E238-K246 IonicContact OE1-NZ 3.65Å; E238-K246 PolarHBondContact OE1-NZ 2.98Å; E238-K246 WeakPolarHBondContact OE2-CD 3.32Å; E238-K246 WeakPolarHBondContact OE2-CE 3.46Å; E238-K246 IonicContact OE2-NZ 3.19Å; E238-K246 PolarHBondContact OE2-NZ 3.1Å; E238-H268 IonicContact OE2-CD2 2.6Å
239	N	51.1	Low	70.7	Confident	156 Å²	156	83.6 Å²	83.6	83%	0.834	42%	0.424	S	S	*	.			trans	-76.1	67.6	-177.4	-70.6	-71.8	0	0	0	111.9
240	L	66.9	Low	69.6	Low	40 Å²	40	86.1 Å²	86.1	21%	0.209	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-72.9	138.7	174	-82.7	70.5	0	0	0	110	E238 W244 E245 K246 Y256 H268 P269	E238-L240 HydrophobicContact CB-CD1 3.37Å; E238-L240 VanDerWaalsContact O-CD1 3.27Å; E238-L240 WeakPolarHBondContact O-CD1 3.45Å; E238-L240 PolarHBondContact O-N 3.46Å; L240-W244 HydrophobicContact CB-CB 4.03Å; L240-W244 HydrophobicContact CD2-CB 3.98Å; L240-W244 HydrophobicContact CG-CB 4.29Å; L240-E245 VanDerWaalsContact CD2-C 3.49Å; L240-K246 HydrophobicContact CD2-CB 4.29Å; L240-Y256 HydrophobicContact CD1-CE1 4.41Å; L240-Y256 HydrophobicContact CD2-CD1 3.99Å; L240-Y256 HydrophobicContact CG-CD1 4.36Å; L240-H268 WeakPolarHBondContact CD1-NE2 3.25Å; L240-P269 HydrophobicContact CG-CG 4.16Å
241	P	68	Low	68.9	Low	55 Å²	55	90.4 Å²	90.4	36%	0.357	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-64.2	158.2	173.4	-17	30.9	0	0	0	111.8	G243 W244 P269	P241-G243 PolarHBondContact O-N 3.39Å; P241-W244 WeakPolarHBondContact O-CB 3.19Å; P241-W244 PolarHBondContact O-N 3.38Å; P241-P269 HydrophobicContact CG-CB 4.34Å
242	L	60.1	Low	67.9	Low	164 Å²	164	88.8 Å²	88.8	86%	0.859	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	133	-178.8	-83.1	80.1	0	0	0	112
243	G	72.9	Confident	67.9	Low	22 Å²	22	85.8 Å²	85.8	23%	0.227	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.1	-24.6	-177	0	0	0	0	0	114.7	P241 N258 R259	P241-G243 PolarHBondContact O-N 3.39Å; G243-N258 CarbonylContact O-C 3.52Å; G243-R259 PolarHBondContact O-N 3.39Å
244	W	80.7	Confident	67.9	Low	45 Å²	45	88.2 Å²	88.2	17%	0.17	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	145.6	-178.8	-65.3	89	0	0	0	113.1	L240 P241 L257 N258 Q265 P269	L240-W244 HydrophobicContact CB-CB 4.03Å; L240-W244 HydrophobicContact CD2-CB 3.98Å; L240-W244 HydrophobicContact CG-CB 4.29Å; P241-W244 WeakPolarHBondContact O-CB 3.19Å; P241-W244 PolarHBondContact O-N 3.38Å; W244-L257 CarbonylContact C-O 3.55Å; W244-L257 WeakPolarHBondContact CA-O 3.22Å; W244-N258 HydrophobicContact CD2-CB 3.65Å; W244-N258 VanDerWaalsContact CE2-ND2 3.31Å; W244-N258 HydrophobicContact CE3-CB 3.65Å; W244-N258 HydrophobicContact CG-CB 4.29Å; W244-N258 HydrophobicContact CH2-CB 3.97Å; W244-N258 HydrophobicContact CZ2-CB 3.97Å; W244-N258 HydrophobicContact CZ3-CB 3.79Å; W244-N258 PolarHBondContact NE1-ND2 2.71Å; W244-Q265 HydrophobicContact CH2-CG 4.06Å; W244-Q265 HydrophobicContact CZ3-CG 3.79Å; W244-P269 HydrophobicContact CB-CB 4.45Å; W244-P269 HydrophobicContact CB-CG 3.75Å; W244-P269 HydrophobicContact CD2-CB 3.34Å; W244-P269 HydrophobicContact CD2-CG 3.53Å; W244-P269 HydrophobicContact CE3-CB 3.75Å; W244-P269 HydrophobicContact CE3-CG 3.8Å; W244-P269 HydrophobicContact CG-CB 3.7Å; W244-P269 HydrophobicContact CG-CG 3.53Å; W244-P269 HydrophobicContact CH2-CB 4.2Å; W244-P269 HydrophobicContact CZ2-CB 3.84Å; W244-P269 HydrophobicContact CZ3-CB 4.17Å
245	E	79.7	Confident	68.7	Low	65 Å²	65	88 Å²	88	30%	0.304	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	143.3	177.8	177.1	161.1	-108.6	0	0	110.1	L240 V247 Y256 L257 R259	L240-E245 VanDerWaalsContact CD2-C 3.49Å; E245-V247 HydrophobicContact CG-CG2 4.3Å; E245-Y256 CarbonylContact O-C 3.6Å; E245-Y256 VanDerWaalsContact O-CA 3.31Å; E245-Y256 WeakPolarHBondContact O-CA 3.24Å; E245-L257 PolarHBondContact N-O 3.31Å; E245-L257 PolarHBondContact O-N 3.36Å; E245-R259 IonicContact OE1-CZ 2.68Å; E245-R259 IonicContact OE1-NH1 3.64Å; E245-R259 PolarHBondContact OE1-NH1 2.9Å; E245-R259 IonicContact OE1-NH2 3.76Å; E245-R259 PolarHBondContact OE1-NH2 3.21Å; E245-R259 IonicContact OE2-CZ 3.56Å; E245-R259 IonicContact OE2-NE 3.42Å; E245-R259 IonicContact OE2-NH1 3.29Å; E245-R259 PolarHBondContact OE2-NH1 2.94Å; E245-R259 IonicContact OE2-NH2 2.84Å
246	K	79.7	Confident	69.8	Low	82 Å²	82	84.3 Å²	84.3	36%	0.357	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	121.7	173.4	-169.8	179	-163.1	164.4	0	108.7	E238 L240 V254 Y256	E238-K246 IonicContact OE1-NZ 3.65Å; E238-K246 PolarHBondContact OE1-NZ 2.98Å; E238-K246 WeakPolarHBondContact OE2-CD 3.32Å; E238-K246 WeakPolarHBondContact OE2-CE 3.46Å; E238-K246 IonicContact OE2-NZ 3.19Å; E238-K246 PolarHBondContact OE2-NZ 3.1Å; L240-K246 HydrophobicContact CD2-CB 4.29Å; K246-V254 HydrophobicContact CD-CG1 4.29Å; K246-V254 HydrophobicContact CG-CG1 3.97Å; K246-Y256 HydrophobicContact CB-CD1 4.25Å; K246-Y256 HydrophobicContact CB-CE1 4.15Å; K246-Y256 HydrophobicContact CD-CE1 4.15Å; K246-Y256 HydrophobicContact CG-CD1 4.3Å; K246-Y256 HydrophobicContact CG-CE1 3.86Å
247	V	80.9	Confident	71	Confident	39 Å²	39	82 Å²	82	24%	0.236	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	135.7	-178.4	-173.8	0	0	0	0	109.3	E245 F255 L257	E245-V247 HydrophobicContact CG-CG2 4.3Å; V247-F255 HydrophobicContact CB-CD1 4.37Å; V247-F255 HydrophobicContact CB-CD2 4.13Å; V247-F255 HydrophobicContact CB-CE1 3.97Å; V247-F255 HydrophobicContact CB-CE2 3.7Å; V247-F255 HydrophobicContact CB-CG 4.45Å; V247-F255 HydrophobicContact CB-CZ 3.63Å; V247-F255 HydrophobicContact CG1-CE1 3.78Å; V247-F255 HydrophobicContact CG1-CE2 4Å; V247-F255 HydrophobicContact CG1-CZ 3.43Å; V247-F255 VanDerWaalsContact CG1-CZ 3.43Å; V247-F255 HydrophobicContact CG2-CE2 4.05Å; V247-F255 HydrophobicContact CG2-CZ 4.34Å; V247-F255 PolarHBondContact N-O 3.27Å; V247-F255 PolarHBondContact O-N 2.92Å; V247-L257 HydrophobicContact CG2-CB 3.87Å; V247-L257 HydrophobicContact CG2-CD2 4.33Å
248	L	72.6	Confident	72.4	Confident	138 Å²	138	73 Å²	73	72%	0.723	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.4	114.1	175.8	-76	149.8	0	0	0	108.4	V254	L248-V254 HydrophobicContact CD2-CG2 3.61Å
249	S	70.8	Confident	73.2	Confident	29 Å²	29	76.1 Å²	76.1	20%	0.203	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	134.6	171.2	170.7	0	0	0	0	110.1	E251 H252 G253	S249-E251 PolarHBondContact O-N 3.34Å; S249-E251 PolarHBondContact OG-N 2.94Å; S249-H252 PolarHBondContact O-N 3.19Å; S249-H252 PolarHBondContact OG-N 3.48Å; S249-H252 PolarHBondContact OG-ND1 3.31Å; S249-G253 PolarHBondContact N-O 3.44Å; S249-G253 WeakPolarHBondContact O-CA 3.29Å; S249-G253 PolarHBondContact O-N 3.33Å
250	P	64.5	Low	74.4	Confident	142 Å²	142	75 Å²	75	92%	0.922	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-26.4	173.7	-25.8	35.5	0	0	0	114.1
251	E	64.3	Low	74.9	Confident	168 Å²	168	76.4 Å²	76.4	79%	0.785	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-33.8	-177.3	-65.3	175.9	162.4	0	0	112.8	S249	S249-E251 PolarHBondContact O-N 3.34Å; S249-E251 PolarHBondContact OG-N 2.94Å
252	H	64.1	Low	75.5	Confident	102 Å²	102	80.4 Å²	80.4	47%	0.472	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-2.2	-170.8	-58.2	76.5	0	0	0	113.5	S249	S249-H252 PolarHBondContact O-N 3.19Å; S249-H252 PolarHBondContact OG-N 3.48Å; S249-H252 PolarHBondContact OG-ND1 3.31Å
253	G	75.4	Confident	76.4	Confident	36 Å²	36	77.8 Å²	77.8	37%	0.371	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	70.2	-141.1	-178	0	0	0	0	0	113.2	S249	S249-G253 PolarHBondContact N-O 3.44Å; S249-G253 WeakPolarHBondContact O-CA 3.29Å; S249-G253 PolarHBondContact O-N 3.33Å
254	V	74.9	Confident	77	Confident	59 Å²	59	81.3 Å²	81.3	36%	0.358	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	124.7	-179	174.5	0	0	0	0	110.3	K246 L248 Y256 Y266	K246-V254 HydrophobicContact CD-CG1 4.29Å; K246-V254 HydrophobicContact CG-CG1 3.97Å; L248-V254 HydrophobicContact CD2-CG2 3.61Å; V254-Y256 HydrophobicContact CG1-CE2 4.28Å; V254-Y266 WeakPolarHBondContact O-CD1 3.49Å
255	F	82.3	Confident	77.1	Confident	39 Å²	39	82.6 Å²	82.6	17%	0.171	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	165.5	168.4	65.8	-87.9	0	0	0	111.6	V247 L257 T264 Y266	V247-F255 HydrophobicContact CB-CD1 4.37Å; V247-F255 HydrophobicContact CB-CD2 4.13Å; V247-F255 HydrophobicContact CB-CE1 3.97Å; V247-F255 HydrophobicContact CB-CE2 3.7Å; V247-F255 HydrophobicContact CB-CG 4.45Å; V247-F255 HydrophobicContact CB-CZ 3.63Å; V247-F255 HydrophobicContact CG1-CE1 3.78Å; V247-F255 HydrophobicContact CG1-CE2 4Å; V247-F255 HydrophobicContact CG1-CZ 3.43Å; V247-F255 VanDerWaalsContact CG1-CZ 3.43Å; V247-F255 HydrophobicContact CG2-CE2 4.05Å; V247-F255 HydrophobicContact CG2-CZ 4.34Å; V247-F255 PolarHBondContact N-O 3.27Å; V247-F255 PolarHBondContact O-N 2.92Å; F255-L257 HydrophobicContact CE2-CB 4.48Å; F255-T264 HydrophobicContact CD2-CG2 3.95Å; F255-T264 HydrophobicContact CE2-CG2 3.84Å; F255-Y266 HydrophobicContact CB-CD1 3.93Å; F255-Y266 HydrophobicContact CB-CE1 4.03Å
256	Y	83.8	Confident	77	Confident	19 Å²	19	86.2 Å²	86.2	8%	0.075	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	122.5	-177.4	-57.6	-90.1	0	0	0	109.5	L240 E245 K246 V254 T264 Q265 Y266 E267 H268 P269	L240-Y256 HydrophobicContact CD1-CE1 4.41Å; L240-Y256 HydrophobicContact CD2-CD1 3.99Å; L240-Y256 HydrophobicContact CG-CD1 4.36Å; E245-Y256 CarbonylContact O-C 3.6Å; E245-Y256 VanDerWaalsContact O-CA 3.31Å; E245-Y256 WeakPolarHBondContact O-CA 3.24Å; K246-Y256 HydrophobicContact CB-CD1 4.25Å; K246-Y256 HydrophobicContact CB-CE1 4.15Å; K246-Y256 HydrophobicContact CD-CE1 4.15Å; K246-Y256 HydrophobicContact CG-CD1 4.3Å; K246-Y256 HydrophobicContact CG-CE1 3.86Å; V254-Y256 HydrophobicContact CG1-CE2 4.28Å; Y256-T264 CarbonylContact O-C 3.59Å; Y256-T264 WeakPolarHBondContact O-CA 3.34Å; Y256-Q265 PolarHBondContact N-O 2.94Å; Y256-Q265 PolarHBondContact O-N 3.32Å; Y256-Y266 WeakPolarHBondContact CD2-O 3.48Å; Y256-Y266 VanDerWaalsContact CE2-O 3.29Å; Y256-Y266 WeakPolarHBondContact CE2-O 3.45Å; Y256-E267 WeakPolarHBondContact CD2-O 3.47Å; Y256-H268 HydrophobicContact CE1-CB 4.17Å; Y256-H268 AromaticContact CE1-CD2 3.64Å; Y256-H268 HydrophobicContact CE2-CB 4.1Å; Y256-P269 HydrophobicContact CD1-CG 4.45Å
257	L	83.9	Confident	76.2	Confident	45 Å²	45	85.7 Å²	85.7	24%	0.236	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	123.9	-179.9	171.7	64.4	0	0	0	109.8	W244 E245 V247 F255 R259 Q263 T264	W244-L257 CarbonylContact C-O 3.55Å; W244-L257 WeakPolarHBondContact CA-O 3.22Å; E245-L257 PolarHBondContact N-O 3.31Å; E245-L257 PolarHBondContact O-N 3.36Å; V247-L257 HydrophobicContact CG2-CB 3.87Å; V247-L257 HydrophobicContact CG2-CD2 4.33Å; F255-L257 HydrophobicContact CE2-CB 4.48Å; L257-R259 HydrophobicContact CD2-CG 4.39Å; L257-R259 HydrophobicContact CG-CG 4.42Å; L257-Q263 CarbonylContact C-O 3.58Å; L257-Q263 WeakPolarHBondContact CA-O 3.47Å; L257-T264 HydrophobicContact CB-CG2 4.34Å; L257-T264 HydrophobicContact CD1-CG2 3.65Å
258	N	84.4	Confident	75.6	Confident	13 Å²	13	85.7 Å²	85.7	7%	0.07	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	106.4	170.5	-170.5	-22.7	0	0	0	110.5	G243 W244 L260 T261 N262 Q263	G243-N258 CarbonylContact O-C 3.52Å; W244-N258 HydrophobicContact CD2-CB 3.65Å; W244-N258 VanDerWaalsContact CE2-ND2 3.31Å; W244-N258 HydrophobicContact CE3-CB 3.65Å; W244-N258 HydrophobicContact CG-CB 4.29Å; W244-N258 HydrophobicContact CH2-CB 3.97Å; W244-N258 HydrophobicContact CZ2-CB 3.97Å; W244-N258 HydrophobicContact CZ3-CB 3.79Å; W244-N258 PolarHBondContact NE1-ND2 2.71Å; N258-L260 PolarHBondContact O-N 3.23Å; N258-L260 WeakPolarHBondContact OD1-CA 3.45Å; N258-L260 WeakPolarHBondContact OD1-CB 3.36Å; N258-L260 PolarHBondContact OD1-N 3.44Å; N258-T261 VanDerWaalsContact CB-OG1 3.29Å; N258-T261 WeakPolarHBondContact CB-OG1 3.49Å; N258-T261 PolarHBondContact ND2-OG1 3.08Å; N258-T261 PolarHBondContact O-N 3.2Å; N258-T261 PolarHBondContact OD1-N 3.34Å; N258-N262 VanDerWaalsContact O-CA 3.26Å; N258-N262 WeakPolarHBondContact O-CA 3.42Å; N258-N262 PolarHBondContact O-N 3.34Å; N258-Q263 HydrophobicContact CB-CB 4.43Å; N258-Q263 PolarHBondContact N-O 3.03Å
259	R	77.1	Confident	75.3	Confident	141 Å²	141	80.1 Å²	80.1	53%	0.532	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-8.7	177.8	-67.5	-171	-74.4	-144.1	-16.4	114.6	G243 E245 L257	G243-R259 PolarHBondContact O-N 3.39Å; E245-R259 IonicContact OE1-CZ 2.68Å; E245-R259 IonicContact OE1-NH1 3.64Å; E245-R259 PolarHBondContact OE1-NH1 2.9Å; E245-R259 IonicContact OE1-NH2 3.76Å; E245-R259 PolarHBondContact OE1-NH2 3.21Å; E245-R259 IonicContact OE2-CZ 3.56Å; E245-R259 IonicContact OE2-NE 3.42Å; E245-R259 IonicContact OE2-NH1 3.29Å; E245-R259 PolarHBondContact OE2-NH1 2.94Å; E245-R259 IonicContact OE2-NH2 2.84Å; L257-R259 HydrophobicContact CD2-CG 4.39Å; L257-R259 HydrophobicContact CG-CG 4.42Å
260	L	74.7	Confident	74.4	Confident	132 Å²	132	80.8 Å²	80.8	69%	0.691	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-18.4	173.4	-60.5	176.3	0	0	0	112.9	N258	N258-L260 PolarHBondContact O-N 3.23Å; N258-L260 WeakPolarHBondContact OD1-CA 3.45Å; N258-L260 WeakPolarHBondContact OD1-CB 3.36Å; N258-L260 PolarHBondContact OD1-N 3.44Å
261	T	77.8	Confident	73.9	Confident	69 Å²	69	78.3 Å²	78.3	42%	0.423	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126	-4.7	-179.1	65.1	0	0	0	0	114.5	N258 Q263	N258-T261 VanDerWaalsContact CB-OG1 3.29Å; N258-T261 WeakPolarHBondContact CB-OG1 3.49Å; N258-T261 PolarHBondContact ND2-OG1 3.08Å; N258-T261 PolarHBondContact O-N 3.2Å; N258-T261 PolarHBondContact OD1-N 3.34Å; T261-Q263 PolarHBondContact O-N 3.24Å; T261-Q263 WeakPolarHBondContact OG1-CB 3.44Å; T261-Q263 VanDerWaalsContact OG1-CD 3.22Å; T261-Q263 WeakPolarHBondContact OG1-CG 3.25Å; T261-Q263 PolarHBondContact OG1-OE1 3.14Å
262	N	80	Confident	72.7	Confident	139 Å²	139	75.2 Å²	75.2	74%	0.743	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	36.3	-171	-67.5	-25.4	0	0	0	113.8	N258	N258-N262 VanDerWaalsContact O-CA 3.26Å; N258-N262 WeakPolarHBondContact O-CA 3.42Å; N258-N262 PolarHBondContact O-N 3.34Å
263	Q	80	Confident	71.6	Confident	110 Å²	110	77.6 Å²	77.6	51%	0.514	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	133.2	177.9	-70.1	166.7	-22.4	0	0	111	L257 N258 T261	L257-Q263 CarbonylContact C-O 3.58Å; L257-Q263 WeakPolarHBondContact CA-O 3.47Å; N258-Q263 HydrophobicContact CB-CB 4.43Å; N258-Q263 PolarHBondContact N-O 3.03Å; T261-Q263 PolarHBondContact O-N 3.24Å; T261-Q263 WeakPolarHBondContact OG1-CB 3.44Å; T261-Q263 VanDerWaalsContact OG1-CD 3.22Å; T261-Q263 WeakPolarHBondContact OG1-CG 3.25Å; T261-Q263 PolarHBondContact OG1-OE1 3.14Å
264	T	84.7	Confident	69.5	Low	95 Å²	95	82.4 Å²	82.4	58%	0.583	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.8	143.3	170.7	48.4	0	0	0	0	111.1	F255 Y256 L257	F255-T264 HydrophobicContact CD2-CG2 3.95Å; F255-T264 HydrophobicContact CE2-CG2 3.84Å; Y256-T264 CarbonylContact O-C 3.59Å; Y256-T264 WeakPolarHBondContact O-CA 3.34Å; L257-T264 HydrophobicContact CB-CG2 4.34Å; L257-T264 HydrophobicContact CD1-CG2 3.65Å
265	Q	82.6	Confident	67.3	Low	73 Å²	73	84.5 Å²	84.5	34%	0.341	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	156.2	172.7	65.6	-177.5	37.1	0	0	110.9	W244 Y256 E267	W244-Q265 HydrophobicContact CH2-CG 4.06Å; W244-Q265 HydrophobicContact CZ3-CG 3.79Å; Y256-Q265 PolarHBondContact N-O 2.94Å; Y256-Q265 PolarHBondContact O-N 3.32Å; Q265-E267 WeakPolarHBondContact CG-O 3.42Å; Q265-E267 PolarHBondContact NE2-O 3.37Å
266	Y	77.9	Confident	65	Low	141 Å²	141	89.7 Å²	89.7	55%	0.553	44%	0.438	S	S	*	.	S	Bend	trans	-84	-23.2	177.9	-68.8	-77.5	0	0	0	113.6	V254 F255 Y256	V254-Y266 WeakPolarHBondContact O-CD1 3.49Å; F255-Y266 HydrophobicContact CB-CD1 3.93Å; F255-Y266 HydrophobicContact CB-CE1 4.03Å; Y256-Y266 WeakPolarHBondContact CD2-O 3.48Å; Y256-Y266 VanDerWaalsContact CE2-O 3.29Å; Y256-Y266 WeakPolarHBondContact CE2-O 3.45Å
267	E	64.3	Low	62.4	Low	71 Å²	71	93.2 Å²	93.2	33%	0.332	46%	0.463	S	S	.	.	S	Bend	trans	-80	144.9	174.9	-89.6	71.9	-163.1	0	0	114.4	Y256 Q265 I271 R273	Y256-E267 WeakPolarHBondContact CD2-O 3.47Å; Q265-E267 WeakPolarHBondContact CG-O 3.42Å; Q265-E267 PolarHBondContact NE2-O 3.37Å; E267-I271 HydrophobicContact CG-CD1 4.5Å; E267-R273 IonicContact OE1-CZ 2.82Å; E267-R273 IonicContact OE1-NH1 3.96Å; E267-R273 PolarHBondContact OE1-NH1 2.88Å; E267-R273 IonicContact OE1-NH2 2.68Å; E267-R273 PolarHBondContact OE1-NH2 3.4Å; E267-R273 IonicContact OE2-CZ 3Å; E267-R273 IonicContact OE2-NH1 3.2Å; E267-R273 PolarHBondContact OE2-NH1 2.92Å; E267-R273 IonicContact OE2-NH2 2.72Å; E267-R273 PolarHBondContact OE2-NH2 3.02Å
268	H	68.2	Low	60	Low	38 Å²	38	95.9 Å²	95.9	18%	0.176	48%	0.482	C	S	.	.			trans	-60.2	128.1	172.1	178.3	-91	0	0	0	110.6	E238 L240 Y256 G270 I271	E238-H268 IonicContact OE2-CD2 2.6Å; L240-H268 WeakPolarHBondContact CD1-NE2 3.25Å; Y256-H268 HydrophobicContact CE1-CB 4.17Å; Y256-H268 AromaticContact CE1-CD2 3.64Å; Y256-H268 HydrophobicContact CE2-CB 4.1Å; H268-G270 PolarHBondContact ND1-N 2.92Å; H268-G270 VanDerWaalsContact ND1-N 3.14Å; H268-G270 PolarHBondContact O-N 3.24Å; H268-G270 VanDerWaalsContact O-N 3.08Å; H268-I271 HydrophobicContact CB-CD1 3.88Å; H268-I271 HydrophobicContact CB-CG1 4.1Å; H268-I271 VanDerWaalsContact O-CB 3.28Å; H268-I271 WeakPolarHBondContact O-CB 3.21Å; H268-I271 WeakPolarHBondContact O-CG1 3.16Å; H268-I271 PolarHBondContact O-N 2.92Å
269	P	65.5	Low	57.6	Low	22 Å²	22	99.4 Å²	99.4	14%	0.143	50%	0.504	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-12	-171.1	24.3	-35.3	0	0	0	115.7	L240 P241 W244 Y256 I271	L240-P269 HydrophobicContact CG-CG 4.16Å; P241-P269 HydrophobicContact CG-CB 4.34Å; W244-P269 HydrophobicContact CB-CB 4.45Å; W244-P269 HydrophobicContact CB-CG 3.75Å; W244-P269 HydrophobicContact CD2-CB 3.34Å; W244-P269 HydrophobicContact CD2-CG 3.53Å; W244-P269 HydrophobicContact CE3-CB 3.75Å; W244-P269 HydrophobicContact CE3-CG 3.8Å; W244-P269 HydrophobicContact CG-CB 3.7Å; W244-P269 HydrophobicContact CG-CG 3.53Å; W244-P269 HydrophobicContact CH2-CB 4.2Å; W244-P269 HydrophobicContact CZ2-CB 3.84Å; W244-P269 HydrophobicContact CZ3-CB 4.17Å; Y256-P269 HydrophobicContact CD1-CG 4.45Å; P269-I271 VanDerWaalsContact C-N 3.29Å
270	G	52.9	Low	55.6	Low	42 Å²	42	99.6 Å²	99.6	43%	0.433	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-9.9	166.3	0	0	0	0	0	114.7	H268 V272	H268-G270 PolarHBondContact ND1-N 2.92Å; H268-G270 VanDerWaalsContact ND1-N 3.14Å; H268-G270 PolarHBondContact O-N 3.24Å; H268-G270 VanDerWaalsContact O-N 3.08Å; G270-V272 PolarHBondContact O-N 3.5Å; G270-V272 VanDerWaalsContact O-N 3.16Å
271	I	52.7	Low	53.6	Low	90 Å²	90	98.2 Å²	98.2	46%	0.462	51%	0.512	S	S	.	.			trans	-81.7	94.7	179	-58.7	173.5	0	0	0	109	E267 H268 P269 R273	E267-I271 HydrophobicContact CG-CD1 4.5Å; H268-I271 HydrophobicContact CB-CD1 3.88Å; H268-I271 HydrophobicContact CB-CG1 4.1Å; H268-I271 VanDerWaalsContact O-CB 3.28Å; H268-I271 WeakPolarHBondContact O-CB 3.21Å; H268-I271 WeakPolarHBondContact O-CG1 3.16Å; H268-I271 PolarHBondContact O-N 2.92Å; P269-I271 VanDerWaalsContact C-N 3.29Å; I271-R273 VanDerWaalsContact C-N 3.3Å; I271-R273 PolarHBondContact O-N 3.03Å
272	V	40	Very low	51.4	Low	104 Å²	104	103.4 Å²	103.4	63%	0.63	53%	0.531	S	S	*	.			trans	-71.8	83	176.3	-174.1	0	0	0	0	110.5	G270 K274	G270-V272 PolarHBondContact O-N 3.5Å; G270-V272 VanDerWaalsContact O-N 3.16Å; V272-K274 HydrophobicContact CG1-CG 4.28Å; V272-K274 PolarHBondContact O-N 3.01Å; V272-K274 VanDerWaalsContact O-N 3.11Å
273	R	40.4	Very low	48.9	Very low	151 Å²	151	101 Å²	101	57%	0.57	53%	0.531	S	S	*	.			trans	-60.8	108.1	161.5	-81.1	-173.5	169	136.5	3.7	108.5	E267 I271 F275	E267-R273 IonicContact OE1-CZ 2.82Å; E267-R273 IonicContact OE1-NH1 3.96Å; E267-R273 PolarHBondContact OE1-NH1 2.88Å; E267-R273 IonicContact OE1-NH2 2.68Å; E267-R273 PolarHBondContact OE1-NH2 3.4Å; E267-R273 IonicContact OE2-CZ 3Å; E267-R273 IonicContact OE2-NH1 3.2Å; E267-R273 PolarHBondContact OE2-NH1 2.92Å; E267-R273 IonicContact OE2-NH2 2.72Å; E267-R273 PolarHBondContact OE2-NH2 3.02Å; I271-R273 VanDerWaalsContact C-N 3.3Å; I271-R273 PolarHBondContact O-N 3.03Å; R273-F275 PolarHBondContact O-N 3.32Å
274	K	30.8	Very low	46.6	Very low	137 Å²	137	103.6 Å²	103.6	60%	0.596	55%	0.547	S	S	*	.			trans	-76.8	120.8	178.4	-65	-177	-179	179.4	0	109.7	V272 V317	V272-K274 HydrophobicContact CG1-CG 4.28Å; V272-K274 PolarHBondContact O-N 3.01Å; V272-K274 VanDerWaalsContact O-N 3.11Å; K274-V317 HydrophobicContact CB-CB 4.43Å; K274-V317 HydrophobicContact CB-CG1 4.01Å; K274-V317 WeakPolarHBondContact O-CB 3.36Å
275	F	30.2	Very low	43.9	Very low	103 Å²	103	103.1 Å²	103.1	45%	0.452	55%	0.553	S	S	.	*			trans	-126.2	156.4	163.5	-84.2	-111.1	0	0	0	107.3	R273 V314 E316	R273-F275 PolarHBondContact O-N 3.32Å; F275-V314 HydrophobicContact CB-CG1 4.16Å; F275-V314 HydrophobicContact CD1-CG1 4.03Å; F275-V314 HydrophobicContact CG-CG1 4.48Å; F275-E316 HydrophobicContact CD1-CB 4.15Å; F275-E316 HydrophobicContact CD1-CG 4.14Å; F275-E316 HydrophobicContact CE1-CB 3.98Å; F275-E316 HydrophobicContact CE1-CG 3.6Å; F275-E316 WeakPolarHBondContact CE1-OE1 3.34Å; F275-E316 HydrophobicContact CZ-CG 4.06Å; F275-E316 WeakPolarHBondContact CZ-OE1 3.24Å
276	K	32.3	Very low	41.3	Very low	148 Å²	148	103.7 Å²	103.7	64%	0.643	57%	0.57	S	S	*	*			trans	-137.5	118.9	174.3	-89.8	-175.4	165.1	-170.8	0	109.3	V315 V317	K276-V315 CarbonylContact C-O 3.6Å; K276-V315 PolarHBondContact N-O 2.99Å; K276-V315 CarbonylContact O-C 3.59Å; K276-V315 WeakPolarHBondContact O-CA 3.47Å; K276-V315 WeakPolarHBondContact O-CB 3.36Å; K276-V315 WeakPolarHBondContact O-CG1 3.38Å; K276-V317 HydrophobicContact CB-CG2 3.54Å; K276-V317 HydrophobicContact CD-CG2 3.98Å; K276-V317 HydrophobicContact CG-CG2 3.56Å
277	P	30.2	Very low	39.1	Very low	93 Å²	93	104.8 Å²	104.8	60%	0.604	59%	0.585	S	S	*	*			trans	-74.8	139	177.4	31.5	-34.7	0	0	0	113.2
278	T	33.2	Very low	37.4	Very low	102 Å²	102	105.9 Å²	105.9	63%	0.626	61%	0.606	S	S	*	*			trans	-143.5	112	167.4	-45.9	0	0	0	0	107.1	V315	T278-V315 WeakPolarHBondContact O-CG2 3.5Å
279	T	33.1	Very low	35.6	Very low	86 Å²	86	110.5 Å²	110.5	53%	0.528	64%	0.637	S	S	.	*			trans	-92.6	134.9	177.6	-63.3	0	0	0	0	108.9
280	D	36.2	Very low	34.2	Very low	146 Å²	146	114 Å²	114	78%	0.781	66%	0.661	S	S	*	*			trans	-150.4	159	135	-121.8	-33.3	0	0	0	115.6
281	V	33	Very low	33.6	Very low	103 Å²	103	118.3 Å²	118.3	62%	0.624	68%	0.681	S	S	*	*			trans	-77.5	162.9	-160.1	165.3	0	0	0	0	115
282	Q	30.6	Very low	32.7	Very low	177 Å²	177	118.7 Å²	118.7	83%	0.827	69%	0.691	S	S	*	*			trans	87.5	96.2	159.9	-89	158.8	64.9	0	0	121.3
283	A	28.4	Very low	32.5	Very low	89 Å²	89	119.5 Å²	119.5	74%	0.736	70%	0.7	S	S	*	*				83.9	159.7	122.4	0	0	0	0	0	122
284	I	30.9	Very low	32	Very low	164 Å²	164	116.9 Å²	116.9	84%	0.841	71%	0.711	S	S	*	*			trans	77	122.2	170.2	-52.4	173.7	0	0	0	116.5
285	A	28.7	Very low	32	Very low	86 Å²	86	118.3 Å²	118.3	71%	0.711	72%	0.724	S	S	*	*			trans	47.3	123.6	159.3	0	0	0	0	0	119.1
286	A	27.6	Very low	31.9	Very low	84 Å²	84	118 Å²	118	69%	0.694	74%	0.736	S	S	*	*				59.4	105.1	56	0	0	0	0	0	114.2
287	N	31.1	Very low	31.9	Very low	165 Å²	165	118.8 Å²	118.8	88%	0.882	75%	0.745	S	S	*	*			trans	66.4	84.9	159	-51.1	-16.1	0	0	0	118.8
288	A	28.7	Very low	32.2	Very low	93 Å²	93	119.3 Å²	119.3	77%	0.769	75%	0.748	S	S	*	*			trans	-152.6	135.6	149.3	0	0	0	0	0	108.1
289	V	30.2	Very low	32	Very low	136 Å²	136	121.7 Å²	121.7	82%	0.824	76%	0.757	S	S	*	*			cis	77	133.7	29.4	-170	0	0	0	0	113.5
290	C	38.2	Very low	31.9	Very low	96 Å²	96	122.4 Å²	122.4	65%	0.649	77%	0.765	S	S	*	*			trans	-65.6	139.3	-173	-178.7	0	0	0	0	113.8	S292	C290-S292 PolarHBondContact SG-N 2.97Å; C290-S292 VanDerWaalsContact SG-N 3.35Å; C290-S292 PolarHBondContact SG-O 3Å; C290-S292 VanDerWaalsContact SG-O 3.38Å
291	P	40.3	Very low	31.7	Very low	132 Å²	132	119.6 Å²	119.6	86%	0.857	76%	0.757	S	S	*	*			trans	-119.6	51.9	166.7	39.7	-28.5	0	0	0	114.2
292	S	33.8	Very low	31.7	Very low	97 Å²	97	123 Å²	123	68%	0.678	77%	0.766	S	S	*	*	S	Bend	trans	-168.9	111.3	143.1	-162.3	0	0	0	0	109	C290	C290-S292 PolarHBondContact SG-N 2.97Å; C290-S292 VanDerWaalsContact SG-N 3.35Å; C290-S292 PolarHBondContact SG-O 3Å; C290-S292 VanDerWaalsContact SG-O 3.38Å
293	C	34.5	Very low	31.7	Very low	121 Å²	121	119.1 Å²	119.1	82%	0.818	76%	0.758	S	S	*	*			cis	-118.1	160.6	11.5	-58.5	0	0	0	0	112
294	A	30.4	Very low	32	Very low	97 Å²	97	123.8 Å²	123.8	80%	0.802	76%	0.764	S	S	*	*			trans	-106	133.1	172.5	0	0	0	0	0	111.4
295	L	30.9	Very low	32	Very low	166 Å²	166	119.9 Å²	119.9	87%	0.869	76%	0.764	S	S	*	*			trans	-159.2	93.2	160.7	-106.9	173.5	0	0	0	111.7
296	S	28.3	Very low	32.1	Very low	98 Å²	98	123.7 Å²	123.7	69%	0.685	77%	0.767	S	S	*	*			trans	65.9	122.1	142	-60.1	0	0	0	0	123.9
297	I	31.5	Very low	32.4	Very low	163 Å²	163	128 Å²	128	84%	0.836	78%	0.777	S	S	*	*			trans	98.4	136.5	142	-64.4	159.3	0	0	0	118.8
298	P	36.4	Very low	32.2	Very low	105 Å²	105	126.2 Å²	126.2	68%	0.682	77%	0.773	S	S	*	*			trans	-130.5	171.3	-165.1	41.8	-24.4	0	0	0	117
299	L	29.5	Very low	32.2	Very low	152 Å²	152	127.1 Å²	127.1	80%	0.796	77%	0.772	S	S	*	*				-177	148.9	124	-126.1	65.2	0	0	0	115.4
300	S	30.8	Very low	32.1	Very low	101 Å²	101	125.7 Å²	125.7	71%	0.706	77%	0.768	S	S	*	*			trans	62.3	151.2	148.8	-59.5	0	0	0	0	122.8
301	S	31.2	Very low	31.9	Very low	86 Å²	86	127.6 Å²	127.6	60%	0.601	78%	0.776	S	S	*	*			cis	-173.2	153.4	-42.7	47.2	0	0	0	0	111.5
302	H	33.6	Very low	31.5	Very low	176 Å²	176	132.1 Å²	132.1	82%	0.815	78%	0.776	S	S	*	*			trans	67.6	149.3	165.4	-55.3	-63	0	0	0	119.1
303	S	31.4	Very low	31.5	Very low	95 Å²	95	132.4 Å²	132.4	66%	0.664	77%	0.77	S	S	*	*			cis	-166.6	149.8	-21	48.9	0	0	0	0	113.3
304	H	33.1	Very low	31.6	Very low	187 Å²	187	131.7 Å²	131.7	87%	0.866	76%	0.762	S	S	*	*			trans	61	134.5	152.3	-97.1	-109.8	0	0	0	122.1
305	G	32.2	Very low	31.9	Very low	81 Å²	81	129.9 Å²	129.9	84%	0.835	74%	0.741	S	S	*	*			trans	166	87.4	170.2	0	0	0	0	0	112.2
306	Q	30.2	Very low	32.2	Very low	167 Å²	167	128.6 Å²	128.6	78%	0.78	73%	0.73	S	S	*	*			trans	-111.4	118.5	-162.2	-179.6	-175.4	21.1	0	0	113.5
307	L	34.6	Very low	32.8	Very low	174 Å²	174	125.6 Å²	125.6	91%	0.911	71%	0.708	S	S	*	*			trans	-144	160.3	158.2	-80.5	-176.1	0	0	0	111.3
308	T	27.2	Very low	33.4	Very low	128 Å²	128	122.2 Å²	122.2	79%	0.785	70%	0.696	S	S	*	*			trans	-119.4	175.5	-174.3	64.2	0	0	0	0	109.6
309	C	26.7	Very low	33.9	Very low	111 Å²	111	119.5 Å²	119.5	75%	0.75	68%	0.683	S	S	*	*			cis	-162.8	177.1	23	62.1	0	0	0	0	113.5
310	S	28.3	Very low	34.9	Very low	106 Å²	106	114.2 Å²	114.2	74%	0.741	66%	0.658	S	S	*	*			trans	66	101.1	153.1	-146.9	0	0	0	0	119.7
311	V	33.9	Very low	35.6	Very low	136 Å²	136	113.5 Å²	113.5	82%	0.824	64%	0.642	S	S	*	*			trans	-120.3	139.9	161.4	177.9	0	0	0	0	108.6
312	R	33.7	Very low	36.7	Very low	227 Å²	227	116.7 Å²	116.7	86%	0.857	64%	0.642	S	S	*	*			trans	-107.3	142.2	171.1	-79.4	-179.2	170.8	154.8	-2.5	110	V314	R312-V314 PolarHBondContact O-N 3.38Å
313	N	32.9	Very low	37.7	Very low	104 Å²	104	110.8 Å²	110.8	56%	0.556	62%	0.623	S	S	*	*			trans	-63.6	124.9	-168.8	-64	-22.5	0	0	0	113.4
314	V	36.3	Very low	39.2	Very low	106 Å²	106	109 Å²	109	64%	0.642	60%	0.603	S	S	*	*			trans	-114.5	125.6	157	-179.1	0	0	0	0	106	F275 R312	F275-V314 HydrophobicContact CB-CG1 4.16Å; F275-V314 HydrophobicContact CD1-CG1 4.03Å; F275-V314 HydrophobicContact CG-CG1 4.48Å; R312-V314 PolarHBondContact O-N 3.38Å
315	V	37.2	Very low	40.8	Very low	58 Å²	58	103.1 Å²	103.1	35%	0.352	58%	0.58	S	S	.	*	P	Polyproline II helix	trans	-91	151.2	172.9	165.5	0	0	0	0	109.9	K276 T278	K276-V315 CarbonylContact C-O 3.6Å; K276-V315 PolarHBondContact N-O 2.99Å; K276-V315 CarbonylContact O-C 3.59Å; K276-V315 WeakPolarHBondContact O-CA 3.47Å; K276-V315 WeakPolarHBondContact O-CB 3.36Å; K276-V315 WeakPolarHBondContact O-CG1 3.38Å; T278-V315 WeakPolarHBondContact O-CG2 3.5Å
316	E	37.7	Very low	42.7	Very low	140 Å²	140	101.4 Å²	101.4	65%	0.654	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-95.1	132	-168.3	-164.3	150	-134.1	0	0	109.9	F275	F275-E316 HydrophobicContact CD1-CB 4.15Å; F275-E316 HydrophobicContact CD1-CG 4.14Å; F275-E316 HydrophobicContact CE1-CB 3.98Å; F275-E316 HydrophobicContact CE1-CG 3.6Å; F275-E316 WeakPolarHBondContact CE1-OE1 3.34Å; F275-E316 HydrophobicContact CZ-CG 4.06Å; F275-E316 WeakPolarHBondContact CZ-OE1 3.24Å
317	V	40.6	Very low	44.9	Very low	35 Å²	35	101.1 Å²	101.1	21%	0.212	55%	0.551	C	S	.	*	P	Polyproline II helix	trans	-86.6	139	167.3	153.6	0	0	0	0	107.1	K274 K276 A319	K274-V317 HydrophobicContact CB-CB 4.43Å; K274-V317 HydrophobicContact CB-CG1 4.01Å; K274-V317 WeakPolarHBondContact O-CB 3.36Å; K276-V317 HydrophobicContact CB-CG2 3.54Å; K276-V317 HydrophobicContact CD-CG2 3.98Å; K276-V317 HydrophobicContact CG-CG2 3.56Å; V317-A319 PolarHBondContact O-N 2.95Å
318	P	44.5	Very low	46.9	Very low	91 Å²	91	97.3 Å²	97.3	59%	0.591	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-48.8	133.3	174.4	-29	35.5	0	0	0	111.4
319	A	46.1	Very low	49.6	Very low	48 Å²	48	91.3 Å²	91.3	40%	0.397	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-52.8	131.6	-174.2	0	0	0	0	0	110.5	V317 A323	V317-A319 PolarHBondContact O-N 2.95Å; A319-A323 HydrophobicContact CB-CB 4.02Å
320	P	49.8	Very low	52.4	Low	42 Å²	42	88.4 Å²	88.4	27%	0.273	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-64.1	146.1	-173.5	26.7	-35	0	0	0	111	Y322 A323	P320-Y322 HydrophobicContact CB-CD1 4.16Å; P320-Y322 HydrophobicContact CB-CE1 3.64Å; P320-Y322 HydrophobicContact CB-CE2 4.43Å; P320-Y322 HydrophobicContact CG-CD1 4.49Å; P320-Y322 HydrophobicContact CG-CD2 4.41Å; P320-Y322 HydrophobicContact CG-CE1 3.84Å; P320-Y322 HydrophobicContact CG-CE2 3.75Å; P320-Y322 VanDerWaalsContact CG-CZ 3.42Å; P320-Y322 WeakPolarHBondContact CG-OH 3.45Å; P320-Y322 PolarHBondContact O-N 2.99Å; P320-A323 VanDerWaalsContact O-CB 3.27Å; P320-A323 WeakPolarHBondContact O-CB 3.5Å; P320-A323 PolarHBondContact O-N 2.89Å
321	F	46.4	Very low	55	Low	86 Å²	86	88.6 Å²	88.6	38%	0.377	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-37.1	-29.2	-174.5	171.2	-108.7	0	0	0	117.7	H362 L365 K369	F321-H362 HydrophobicContact CD2-CB 4.42Å; F321-H362 AromaticContact CD2-CD2 3.85Å; F321-L365 HydrophobicContact CE2-CD2 3.79Å; F321-L365 HydrophobicContact CZ-CD2 4.07Å; F321-K369 HydrophobicContact CZ-CD 4.35Å
322	Y	54.2	Low	57.7	Low	153 Å²	153	87 Å²	87	60%	0.6	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-12.1	179.1	53.4	-101	0	0	0	115.2	P320	P320-Y322 HydrophobicContact CB-CD1 4.16Å; P320-Y322 HydrophobicContact CB-CE1 3.64Å; P320-Y322 HydrophobicContact CB-CE2 4.43Å; P320-Y322 HydrophobicContact CG-CD1 4.49Å; P320-Y322 HydrophobicContact CG-CD2 4.41Å; P320-Y322 HydrophobicContact CG-CE1 3.84Å; P320-Y322 HydrophobicContact CG-CE2 3.75Å; P320-Y322 VanDerWaalsContact CG-CZ 3.42Å; P320-Y322 WeakPolarHBondContact CG-OH 3.45Å; P320-Y322 PolarHBondContact O-N 2.99Å
323	A	55.6	Low	60.2	Low	51 Å²	51	76.2 Å²	76.2	42%	0.421	41%	0.406	S	S	.	.	S	Bend	trans	-70.2	-37	-167.1	0	0	0	0	0	115	A319 P320 T325	A319-A323 HydrophobicContact CB-CB 4.02Å; P320-A323 VanDerWaalsContact O-CB 3.27Å; P320-A323 WeakPolarHBondContact O-CB 3.5Å; P320-A323 PolarHBondContact O-N 2.89Å; A323-T325 PolarHBondContact O-N 3.39Å
324	Y	62	Low	62.7	Low	59 Å²	59	73.5 Å²	73.5	23%	0.231	39%	0.389	C	S	.	.			trans	-76.9	120.4	177.1	-53	-78.2	0	0	0	110.1	M363 K366	Y324-M363 HydrophobicContact CD1-SD 4.32Å; Y324-M363 HydrophobicContact CD2-CG 4.21Å; Y324-M363 HydrophobicContact CG-CG 4.23Å; Y324-M363 HydrophobicContact CG-SD 4.47Å; Y324-K366 WeakPolarHBondContact O-CD 3.36Å; Y324-K366 WeakPolarHBondContact O-CE 3.28Å; Y324-K366 PolarHBondContact O-NZ 3.1Å
325	T	66.8	Low	65.1	Low	63 Å²	63	73.2 Å²	73.2	39%	0.387	39%	0.388	S	S	.	.			trans	-73.5	170.4	161.5	79.5	0	0	0	0	109.9	A323 H327 D328	A323-T325 PolarHBondContact O-N 3.39Å; T325-H327 PolarHBondContact O-N 3.47Å; T325-H327 PolarHBondContact OG1-N 2.91Å; T325-D328 WeakPolarHBondContact CA-OD2 3.47Å; T325-D328 WeakPolarHBondContact CB-OD2 3.36Å; T325-D328 WeakPolarHBondContact CG2-OD2 3.39Å; T325-D328 PolarHBondContact N-OD2 2.96Å; T325-D328 PolarHBondContact O-N 2.72Å; T325-D328 VanDerWaalsContact OG1-CG 3.3Å; T325-D328 PolarHBondContact OG1-OD2 2.96Å
326	V	72.6	Confident	67.4	Low	44 Å²	44	73 Å²	73	27%	0.267	38%	0.381	S	S	.	.	S	Bend	trans	-63.9	-27.4	177.7	-178.6	0	0	0	0	111.5	K334 L367 Q370	V326-K334 VanDerWaalsContact O-CE 3.29Å; V326-K334 WeakPolarHBondContact O-CE 3.46Å; V326-L367 HydrophobicContact CG1-CD2 4.41Å; V326-Q370 VanDerWaalsContact CG1-OE1 3.27Å; V326-Q370 VanDerWaalsContact CG2-OE1 3.24Å
327	H	75.8	Confident	69.6	Low	161 Å²	161	68.1 Å²	68.1	75%	0.745	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-35.3	178.3	-51.2	107.1	0	0	0	111.9	T325 I329 K334	T325-H327 PolarHBondContact O-N 3.47Å; T325-H327 PolarHBondContact OG1-N 2.91Å; H327-I329 PolarHBondContact O-N 2.96Å; H327-K334 PolarHBondContact O-NZ 3.14Å
328	D	76.4	Confident	71.7	Confident	94 Å²	94	76.6 Å²	76.6	50%	0.503	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-8.4	-177.2	-49.9	-52.2	0	0	0	113.9	T325	T325-D328 WeakPolarHBondContact CA-OD2 3.47Å; T325-D328 WeakPolarHBondContact CB-OD2 3.36Å; T325-D328 WeakPolarHBondContact CG2-OD2 3.39Å; T325-D328 PolarHBondContact N-OD2 2.96Å; T325-D328 PolarHBondContact O-N 2.72Å; T325-D328 VanDerWaalsContact OG1-CG 3.3Å; T325-D328 PolarHBondContact OG1-OD2 2.96Å
329	I	83.4	Confident	73.5	Confident	2 Å²	2	74.1 Å²	74.1	1%	0.01	38%	0.38	C	S	.	.	S	Bend	trans	-73.2	128.8	177.3	-60.2	177.5	0	0	0	108.8	H327 I333 K334 M363 L367	H327-I329 PolarHBondContact O-N 2.96Å; I329-I333 HydrophobicContact CG2-CB 3.92Å; I329-I333 HydrophobicContact CG2-CG2 4.03Å; I329-K334 HydrophobicContact CB-CG 4.5Å; I329-K334 HydrophobicContact CG2-CG 4.11Å; I329-K334 WeakPolarHBondContact O-CE 3.39Å; I329-K334 PolarHBondContact O-NZ 2.89Å; I329-M363 HydrophobicContact CB-SD 4.38Å; I329-M363 HydrophobicContact CD1-CB 4.37Å; I329-M363 HydrophobicContact CG1-CB 4.28Å; I329-M363 HydrophobicContact CG1-CG 4.12Å; I329-M363 HydrophobicContact CG1-SD 4.18Å; I329-M363 HydrophobicContact CG2-CB 4.25Å; I329-M363 HydrophobicContact CG2-SD 4.2Å; I329-L367 HydrophobicContact CD1-CD2 3.8Å; I329-L367 HydrophobicContact CD1-CG 3.86Å; I329-L367 HydrophobicContact CG2-CD1 4.28Å
330	P	85.8	Confident	75.2	Confident	50 Å²	50	76 Å²	76	33%	0.325	39%	0.388	S	S	.	.			trans	-57.5	139	175.9	-26.8	34.3	0	0	0	113.1	W332 I333 K334 M363	P330-W332 VanDerWaalsContact C-N 3.26Å; P330-W332 PolarHBondContact O-N 3.33Å; P330-I333 HydrophobicContact CB-CD1 4.4Å; P330-I333 HydrophobicContact CB-CG1 4.29Å; P330-I333 HydrophobicContact CG-CD1 4.2Å; P330-I333 WeakPolarHBondContact O-CB 3.48Å; P330-I333 PolarHBondContact O-N 3.13Å; P330-K334 PolarHBondContact O-N 3.45Å; P330-M363 VanDerWaalsContact CD-SD 3.59Å
331	D	84	Confident	76.4	Confident	111 Å²	111	81.7 Å²	81.7	59%	0.594	41%	0.411	S	S	*	.	H	α-helix	trans	-63.9	-28.7	-172.7	-61.8	-43	0	0	0	113.7	I333 K334 V335	D331-I333 PolarHBondContact O-N 3.44Å; D331-K334 CarbonylContact O-C 3.59Å; D331-K334 WeakPolarHBondContact O-CB 3.45Å; D331-K334 PolarHBondContact O-N 3.25Å; D331-K334 VanDerWaalsContact O-N 3.13Å; D331-K334 WeakPolarHBondContact OD1-CD 3.37Å; D331-K334 IonicContact OD1-NZ 2.67Å; D331-K334 PolarHBondContact OD1-NZ 3.26Å; D331-V335 WeakPolarHBondContact O-CG2 3.45Å; D331-V335 PolarHBondContact O-N 3.31Å
332	W	89.3	Confident	78	Confident	102 Å²	102	84.3 Å²	84.3	39%	0.386	43%	0.428	S	S	.	.	H	α-helix	trans	-63.4	-29.9	173.1	74.9	-96.2	0	0	0	112.6	P330 Y336 L347 F352 F360	P330-W332 VanDerWaalsContact C-N 3.26Å; P330-W332 PolarHBondContact O-N 3.33Å; W332-Y336 VanDerWaalsContact O-CB 3.26Å; W332-Y336 WeakPolarHBondContact O-CB 3.49Å; W332-Y336 PolarHBondContact O-N 2.99Å; W332-L347 HydrophobicContact CZ3-CD1 4.25Å; W332-L347 HydrophobicContact CZ3-CD2 4.17Å; W332-F352 HydrophobicContact CH2-CZ 4.29Å; W332-F360 HydrophobicContact CH2-CD1 4.29Å; W332-F360 HydrophobicContact CH2-CD2 4.28Å; W332-F360 HydrophobicContact CH2-CE1 4.27Å; W332-F360 HydrophobicContact CH2-CE2 4.26Å; W332-F360 HydrophobicContact CH2-CG 4.31Å; W332-F360 HydrophobicContact CH2-CZ 4.26Å; W332-F360 HydrophobicContact CZ2-CD1 4.07Å; W332-F360 AromaticContact CZ2-CE1 3.71Å; W332-F360 HydrophobicContact CZ2-CE1 3.71Å; W332-F360 HydrophobicContact CZ2-CE2 4.29Å; W332-F360 AromaticContact CZ2-CZ 3.83Å; W332-F360 HydrophobicContact CZ2-CZ 3.83Å
333	I	87.4	Confident	79.3	Confident	1 Å²	1	78.3 Å²	78.3	1%	0.005	41%	0.409	C	S	.	.	H	α-helix	trans	-75.2	-38.6	173.5	-54.7	-175.1	0	0	0	110	I329 P330 D331 V335 Y336 A337 F360 M363 L364 L367	I329-I333 HydrophobicContact CG2-CB 3.92Å; I329-I333 HydrophobicContact CG2-CG2 4.03Å; P330-I333 HydrophobicContact CB-CD1 4.4Å; P330-I333 HydrophobicContact CB-CG1 4.29Å; P330-I333 HydrophobicContact CG-CD1 4.2Å; P330-I333 WeakPolarHBondContact O-CB 3.48Å; P330-I333 PolarHBondContact O-N 3.13Å; D331-I333 PolarHBondContact O-N 3.44Å; I333-V335 VanDerWaalsContact C-N 3.27Å; I333-V335 PolarHBondContact O-N 3.43Å; I333-Y336 PolarHBondContact O-N 3.01Å; I333-A337 VanDerWaalsContact O-CB 3.24Å; I333-A337 WeakPolarHBondContact O-CB 3.44Å; I333-A337 PolarHBondContact O-N 3.15Å; I333-F360 HydrophobicContact CD1-CD1 3.58Å; I333-F360 HydrophobicContact CD1-CE1 4.17Å; I333-F360 HydrophobicContact CD1-CG 4.37Å; I333-M363 HydrophobicContact CD1-CE 3.63Å; I333-M363 HydrophobicContact CD1-SD 4.23Å; I333-L364 HydrophobicContact CG2-CD2 3.62Å; I333-L364 HydrophobicContact CG2-CG 3.96Å; I333-L367 HydrophobicContact CG2-CD1 4.23Å
334	K	85.4	Confident	80.4	Confident	46 Å²	46	78.5 Å²	78.5	20%	0.2	40%	0.403	C	S	.	.	H	α-helix	trans	-63.6	-32.7	173.4	-58	178	-171	137.3	0	112.3	V326 H327 I329 P330 D331 R338	V326-K334 VanDerWaalsContact O-CE 3.29Å; V326-K334 WeakPolarHBondContact O-CE 3.46Å; H327-K334 PolarHBondContact O-NZ 3.14Å; I329-K334 HydrophobicContact CB-CG 4.5Å; I329-K334 HydrophobicContact CG2-CG 4.11Å; I329-K334 WeakPolarHBondContact O-CE 3.39Å; I329-K334 PolarHBondContact O-NZ 2.89Å; P330-K334 PolarHBondContact O-N 3.45Å; D331-K334 CarbonylContact O-C 3.59Å; D331-K334 WeakPolarHBondContact O-CB 3.45Å; D331-K334 PolarHBondContact O-N 3.25Å; D331-K334 VanDerWaalsContact O-N 3.13Å; D331-K334 WeakPolarHBondContact OD1-CD 3.37Å; D331-K334 IonicContact OD1-NZ 2.67Å; D331-K334 PolarHBondContact OD1-NZ 3.26Å; K334-R338 WeakPolarHBondContact O-CD 3.41Å; K334-R338 WeakPolarHBondContact O-CG 3.42Å
335	V	85.6	Confident	81.3	Confident	101 Å²	101	84.5 Å²	84.5	61%	0.612	43%	0.427	S	S	*	.	H	α-helix	trans	-74.1	-49.6	173.3	170.1	0	0	0	0	110.7	D331 I333 A337 R338 A339	D331-V335 WeakPolarHBondContact O-CG2 3.45Å; D331-V335 PolarHBondContact O-N 3.31Å; I333-V335 VanDerWaalsContact C-N 3.27Å; I333-V335 PolarHBondContact O-N 3.43Å; V335-A337 PolarHBondContact O-N 3.41Å; V335-R338 CarbonylContact O-C 3.52Å; V335-R338 PolarHBondContact O-N 3.06Å; V335-A339 PolarHBondContact O-N 3Å; V335-A339 VanDerWaalsContact O-N 3.12Å
336	Y	86.6	Confident	82	Confident	52 Å²	52	87.3 Å²	87.3	20%	0.204	44%	0.438	C	S	.	.	H	α-helix	trans	-59.1	-43.8	179.4	174.7	-110.8	0	0	0	112.3	W332 I333 R338 A339 D344 L347 W349 L364	W332-Y336 VanDerWaalsContact O-CB 3.26Å; W332-Y336 WeakPolarHBondContact O-CB 3.49Å; W332-Y336 PolarHBondContact O-N 2.99Å; I333-Y336 PolarHBondContact O-N 3.01Å; Y336-R338 PolarHBondContact O-N 3.43Å; Y336-A339 WeakPolarHBondContact O-CB 3.24Å; Y336-A339 PolarHBondContact O-N 3.43Å; Y336-D344 WeakPolarHBondContact CE2-OD1 3.49Å; Y336-D344 VanDerWaalsContact CZ-OD1 3.24Å; Y336-D344 PolarHBondContact OH-OD1 3.42Å; Y336-L347 HydrophobicContact CD1-CD2 4.16Å; Y336-L347 HydrophobicContact CD2-CD2 3.83Å; Y336-L347 HydrophobicContact CE1-CD2 4.13Å; Y336-L347 HydrophobicContact CE2-CD2 3.8Å; Y336-L347 HydrophobicContact CG-CD2 4.03Å; Y336-W349 HydrophobicContact CD1-CZ2 4.46Å; Y336-W349 HydrophobicContact CE1-CH2 4.02Å; Y336-W349 AromaticContact CE1-CZ2 3.6Å; Y336-W349 HydrophobicContact CE1-CZ2 3.6Å; Y336-W349 AromaticContact CZ-CZ2 3.73Å; Y336-L364 HydrophobicContact CD1-CD1 4.35Å; Y336-L364 HydrophobicContact CD1-CD2 3.98Å; Y336-L364 HydrophobicContact CE1-CD1 4.08Å; Y336-L364 HydrophobicContact CE1-CD2 4.32Å
337	A	84.1	Confident	82.2	Confident	39 Å²	39	87 Å²	87	32%	0.322	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-8.5	175.8	0	0	0	0	0	114.9	I333 V335 L364 L367	I333-A337 VanDerWaalsContact O-CB 3.24Å; I333-A337 WeakPolarHBondContact O-CB 3.44Å; I333-A337 PolarHBondContact O-N 3.15Å; V335-A337 PolarHBondContact O-N 3.41Å; A337-L364 HydrophobicContact CB-CD2 3.86Å; A337-L367 HydrophobicContact CB-CB 4.45Å; A337-L367 HydrophobicContact CB-CD1 3.58Å
338	R	83.9	Confident	82.5	Confident	213 Å²	213	86.2 Å²	86.2	80%	0.804	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.3	1.1	176.1	-68.2	175.1	173.4	168.4	-3.9	112.6	K334 V335 Y336	K334-R338 WeakPolarHBondContact O-CD 3.41Å; K334-R338 WeakPolarHBondContact O-CG 3.42Å; V335-R338 CarbonylContact O-C 3.52Å; V335-R338 PolarHBondContact O-N 3.06Å; Y336-R338 PolarHBondContact O-N 3.43Å
339	A	82	Confident	82.6	Confident	38 Å²	38	85.5 Å²	85.5	31%	0.314	42%	0.42	S	S	.	.	S	Bend	trans	-85.4	146	-178.5	0	0	0	0	0	110.1	V335 Y336 S343	V335-A339 PolarHBondContact O-N 3Å; V335-A339 VanDerWaalsContact O-N 3.12Å; Y336-A339 WeakPolarHBondContact O-CB 3.24Å; Y336-A339 PolarHBondContact O-N 3.43Å; A339-S343 WeakPolarHBondContact CB-OG 3.2Å
340	P	81.2	Confident	82.2	Confident	87 Å²	87	93.1 Å²	93.1	57%	0.565	46%	0.461	S	S	*	.			trans	-66.1	148.2	175.1	28.8	-34.8	0	0	0	110.6	D342 S343	P340-D342 PolarHBondContact O-N 3.35Å; P340-S343 WeakPolarHBondContact O-CB 3.44Å; P340-S343 PolarHBondContact O-N 3.32Å; P340-S343 PolarHBondContact O-OG 2.92Å
341	H	76.9	Confident	81.9	Confident	163 Å²	163	97.3 Å²	97.3	76%	0.755	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-54.4	-28	178.9	-67.5	-56.9	0	0	0	114	S343 D344	H341-S343 PolarHBondContact O-N 3.09Å; H341-D344 WeakPolarHBondContact CA-OD2 3.33Å; H341-D344 IonicContact CG-OD2 2.99Å; H341-D344 IonicContact ND1-OD2 3.87Å; H341-D344 PolarHBondContact ND1-OD2 2.88Å; H341-D344 WeakPolarHBondContact O-CB 3.37Å; H341-D344 PolarHBondContact O-N 3.23Å
342	D	80.1	Confident	81.7	Confident	140 Å²	140	94.8 Å²	94.8	75%	0.749	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-55.4	-20.6	172.6	-57.7	-40.6	0	0	0	113.2	P340 Y345	P340-D342 PolarHBondContact O-N 3.35Å; D342-Y345 WeakPolarHBondContact O-CD1 3.35Å; D342-Y345 WeakPolarHBondContact O-CE1 3.36Å
343	S	81.3	Confident	81.3	Confident	28 Å²	28	98.9 Å²	98.9	20%	0.196	48%	0.479	C	S	.	.	G	3₁₀ helix	trans	-93.7	-5.4	178.8	71.2	0	0	0	0	115	A339 P340 H341 Y345 L346	A339-S343 WeakPolarHBondContact CB-OG 3.2Å; P340-S343 WeakPolarHBondContact O-CB 3.44Å; P340-S343 PolarHBondContact O-N 3.32Å; P340-S343 PolarHBondContact O-OG 2.92Å; H341-S343 PolarHBondContact O-N 3.09Å; S343-Y345 PolarHBondContact O-N 2.92Å; S343-Y345 VanDerWaalsContact O-N 3.11Å; S343-L346 WeakPolarHBondContact O-CB 3.4Å; S343-L346 WeakPolarHBondContact O-CG 3.43Å; S343-L346 PolarHBondContact O-N 3.02Å
344	D	77.9	Confident	80.4	Confident	54 Å²	54	105.3 Å²	105.3	29%	0.289	51%	0.512	S	S	.	.	G	3₁₀ helix	trans	-56.2	-31.7	-177.1	-85.1	-48.5	0	0	0	112.8	Y336 H341 L346 L347	Y336-D344 WeakPolarHBondContact CE2-OD1 3.49Å; Y336-D344 VanDerWaalsContact CZ-OD1 3.24Å; Y336-D344 PolarHBondContact OH-OD1 3.42Å; H341-D344 WeakPolarHBondContact CA-OD2 3.33Å; H341-D344 IonicContact CG-OD2 2.99Å; H341-D344 IonicContact ND1-OD2 3.87Å; H341-D344 PolarHBondContact ND1-OD2 2.88Å; H341-D344 WeakPolarHBondContact O-CB 3.37Å; H341-D344 PolarHBondContact O-N 3.23Å; D344-L346 PolarHBondContact O-N 3.24Å; D344-L346 VanDerWaalsContact O-N 3.13Å; D344-L347 PolarHBondContact O-N 3.48Å; D344-L347 VanDerWaalsContact O-N 3.12Å
345	Y	81.7	Confident	79.8	Confident	186 Å²	186	106.9 Å²	106.9	73%	0.729	53%	0.528	S	S	*	.	G	3₁₀ helix	trans	-64.1	-16.8	179.1	75.3	-99.8	0	0	0	114.3	D342 S343 L347	D342-Y345 WeakPolarHBondContact O-CD1 3.35Å; D342-Y345 WeakPolarHBondContact O-CE1 3.36Å; S343-Y345 PolarHBondContact O-N 2.92Å; S343-Y345 VanDerWaalsContact O-N 3.11Å; Y345-L347 VanDerWaalsContact C-N 3.3Å
346	L	80.7	Confident	79.4	Confident	121 Å²	121	105.6 Å²	105.6	63%	0.634	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-73.3	-24.5	176.9	-63.2	173.2	0	0	0	112	S343 D344	S343-L346 WeakPolarHBondContact O-CB 3.4Å; S343-L346 WeakPolarHBondContact O-CG 3.43Å; S343-L346 PolarHBondContact O-N 3.02Å; D344-L346 PolarHBondContact O-N 3.24Å; D344-L346 VanDerWaalsContact O-N 3.13Å
347	L	75.9	Confident	79	Confident	39 Å²	39	105.6 Å²	105.6	20%	0.204	52%	0.518	C	S	.	.			trans	-98.1	99.9	-173.8	-169.3	59.6	0	0	0	111.4	W332 Y336 D344 Y345 W349 F352	W332-L347 HydrophobicContact CZ3-CD1 4.25Å; W332-L347 HydrophobicContact CZ3-CD2 4.17Å; Y336-L347 HydrophobicContact CD1-CD2 4.16Å; Y336-L347 HydrophobicContact CD2-CD2 3.83Å; Y336-L347 HydrophobicContact CE1-CD2 4.13Å; Y336-L347 HydrophobicContact CE2-CD2 3.8Å; Y336-L347 HydrophobicContact CG-CD2 4.03Å; D344-L347 PolarHBondContact O-N 3.48Å; D344-L347 VanDerWaalsContact O-N 3.12Å; Y345-L347 VanDerWaalsContact C-N 3.3Å; L347-W349 HydrophobicContact CD2-CD2 4.16Å; L347-W349 HydrophobicContact CD2-CE3 4.35Å; L347-W349 HydrophobicContact CD2-CH2 3.67Å; L347-W349 HydrophobicContact CD2-CZ2 3.4Å; L347-W349 HydrophobicContact CD2-CZ3 4.12Å; L347-W349 HydrophobicContact CG-CD2 4.25Å; L347-W349 HydrophobicContact CG-CZ2 4.33Å; L347-W349 PolarHBondContact O-N 3.4Å; L347-F352 HydrophobicContact CD1-CE2 4.18Å; L347-F352 HydrophobicContact CD1-CZ 4.46Å
348	K	82	Confident	78.4	Confident	144 Å²	144	108.1 Å²	108.1	63%	0.626	53%	0.526	S	S	*	.			trans	-77.3	83.6	178.5	-65.3	-175.1	180	-177.6	0	111.4	D350 L351	K348-D350 PolarHBondContact O-N 3.39Å; K348-D350 VanDerWaalsContact O-N 3.14Å; K348-L351 HydrophobicContact CB-CD1 3.8Å; K348-L351 HydrophobicContact CB-CG 3.91Å; K348-L351 HydrophobicContact CD-CD1 4.49Å; K348-L351 WeakPolarHBondContact O-CB 3.44Å; K348-L351 WeakPolarHBondContact O-CG 3.34Å; K348-L351 PolarHBondContact O-N 2.89Å; K348-L351 VanDerWaalsContact O-N 3.07Å
349	W	78.4	Confident	77.9	Confident	79 Å²	79	99.4 Å²	99.4	30%	0.299	50%	0.498	S	S	.	.	G	3₁₀ helix	trans	-53.8	-31.3	-179.3	-69.8	111	0	0	0	114.3	Y336 L347 L351 F352 L357 F360 L364	Y336-W349 HydrophobicContact CD1-CZ2 4.46Å; Y336-W349 HydrophobicContact CE1-CH2 4.02Å; Y336-W349 AromaticContact CE1-CZ2 3.6Å; Y336-W349 HydrophobicContact CE1-CZ2 3.6Å; Y336-W349 AromaticContact CZ-CZ2 3.73Å; L347-W349 HydrophobicContact CD2-CD2 4.16Å; L347-W349 HydrophobicContact CD2-CE3 4.35Å; L347-W349 HydrophobicContact CD2-CH2 3.67Å; L347-W349 HydrophobicContact CD2-CZ2 3.4Å; L347-W349 HydrophobicContact CD2-CZ3 4.12Å; L347-W349 HydrophobicContact CG-CD2 4.25Å; L347-W349 HydrophobicContact CG-CZ2 4.33Å; L347-W349 PolarHBondContact O-N 3.4Å; W349-L351 PolarHBondContact O-N 2.91Å; W349-F352 HydrophobicContact CE3-CD2 4.01Å; W349-F352 HydrophobicContact CE3-CE2 4.21Å; W349-F352 WeakPolarHBondContact O-CD2 3.35Å; W349-F352 PolarHBondContact O-N 3.36Å; W349-F352 VanDerWaalsContact O-N 3.08Å; W349-L357 HydrophobicContact CD2-CD2 4.39Å; W349-L357 HydrophobicContact CE3-CD2 3.47Å; W349-L357 VanDerWaalsContact CE3-CD2 3.47Å; W349-L357 HydrophobicContact CZ3-CD2 4.05Å; W349-F360 HydrophobicContact CZ3-CB 4.44Å; W349-F360 HydrophobicContact CZ3-CD2 4.19Å; W349-L364 HydrophobicContact CH2-CD1 4.24Å
350	D	76.9	Confident	78	Confident	161 Å²	161	98.9 Å²	98.9	86%	0.861	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-63.5	-11.3	178.2	-50.2	-63.7	0	0	0	114.4	K348 F352	K348-D350 PolarHBondContact O-N 3.39Å; K348-D350 VanDerWaalsContact O-N 3.14Å; D350-F352 VanDerWaalsContact C-N 3.3Å
351	L	78.4	Confident	78	Confident	138 Å²	138	98.9 Å²	98.9	72%	0.723	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-79.2	-10.5	174.6	-60.4	179.6	0	0	0	113.3	K348 W349	K348-L351 HydrophobicContact CB-CD1 3.8Å; K348-L351 HydrophobicContact CB-CG 3.91Å; K348-L351 HydrophobicContact CD-CD1 4.49Å; K348-L351 WeakPolarHBondContact O-CB 3.44Å; K348-L351 WeakPolarHBondContact O-CG 3.34Å; K348-L351 PolarHBondContact O-N 2.89Å; K348-L351 VanDerWaalsContact O-N 3.07Å; W349-L351 PolarHBondContact O-N 2.91Å
352	F	80.9	Confident	78	Confident	59 Å²	59	94.7 Å²	94.7	26%	0.259	46%	0.464	S	S	.	.	S	Bend	trans	-105.2	144.6	-177.9	-55.7	-70.8	0	0	0	112.1	W332 L347 W349 D350 Q356 L357 F360	W332-F352 HydrophobicContact CH2-CZ 4.29Å; L347-F352 HydrophobicContact CD1-CE2 4.18Å; L347-F352 HydrophobicContact CD1-CZ 4.46Å; W349-F352 HydrophobicContact CE3-CD2 4.01Å; W349-F352 HydrophobicContact CE3-CE2 4.21Å; W349-F352 WeakPolarHBondContact O-CD2 3.35Å; W349-F352 PolarHBondContact O-N 3.36Å; W349-F352 VanDerWaalsContact O-N 3.08Å; D350-F352 VanDerWaalsContact C-N 3.3Å; F352-Q356 HydrophobicContact CB-CB 4.44Å; F352-L357 HydrophobicContact CB-CD2 3.87Å; F352-L357 HydrophobicContact CB-CG 4.01Å; F352-L357 HydrophobicContact CD2-CD2 4.26Å; F352-L357 HydrophobicContact CG-CD2 4.49Å; F352-F360 HydrophobicContact CB-CE2 4.19Å; F352-F360 AromaticContact CD1-CE2 3.62Å; F352-F360 HydrophobicContact CD1-CE2 3.62Å; F352-F360 HydrophobicContact CD1-CZ 4.17Å; F352-F360 HydrophobicContact CD2-CE2 4.24Å; F352-F360 AromaticContact CE1-CE2 3.97Å; F352-F360 HydrophobicContact CE1-CE2 3.97Å; F352-F360 HydrophobicContact CE1-CZ 4.28Å; F352-F360 AromaticContact CG-CE2 3.76Å; F352-F360 HydrophobicContact CG-CE2 3.76Å; F352-F360 HydrophobicContact CZ-CE2 4.42Å
353	R	79.5	Confident	78.3	Confident	188 Å²	188	88.4 Å²	88.4	71%	0.709	43%	0.43	S	S	*	.			trans	-76.8	149.2	174.8	-65.7	-176	-84.9	-164.3	-5.5	110.5	P355 Q356 L357	R353-P355 VanDerWaalsContact O-N 3.17Å; R353-Q356 HydrophobicContact CB-CG 4.38Å; R353-Q356 WeakPolarHBondContact O-CA 3.5Å; R353-Q356 VanDerWaalsContact O-CB 3.28Å; R353-Q356 WeakPolarHBondContact O-CB 3.36Å; R353-Q356 PolarHBondContact O-N 3.29Å; R353-L357 PolarHBondContact O-N 3.49Å; R353-L357 VanDerWaalsContact O-N 3.1Å
354	L	69.6	Low	78.5	Confident	135 Å²	135	89 Å²	89	71%	0.707	43%	0.431	S	S	*	.	H	α-helix	trans	-43.1	-49	179.2	-85.5	156.9	0	0	0	114.7	Q356 L357 D358	L354-Q356 PolarHBondContact O-N 2.9Å; L354-L357 WeakPolarHBondContact O-CB 3.31Å; L354-L357 PolarHBondContact O-N 3.24Å; L354-L357 VanDerWaalsContact O-N 3.15Å; L354-D358 PolarHBondContact O-N 3.46Å
355	P	72.9	Confident	78.6	Confident	80 Å²	80	88.4 Å²	88.4	52%	0.519	43%	0.428	S	S	.	.	H	α-helix	trans	-66.3	-20.9	178	-21.9	34.6	0	0	0	114.7	R353 C359	R353-P355 VanDerWaalsContact O-N 3.17Å; P355-C359 PolarHBondContact O-N 2.89Å; P355-C359 PolarHBondContact O-SG 3.19Å
356	Q	75.9	Confident	78.7	Confident	74 Å²	74	82.1 Å²	82.1	35%	0.346	40%	0.404	S	S	.	.	H	α-helix	trans	-79.4	-42.1	173.8	-55.6	175.9	-77	0	0	110.1	F352 R353 L354 D358 C359 F360	F352-Q356 HydrophobicContact CB-CB 4.44Å; R353-Q356 HydrophobicContact CB-CG 4.38Å; R353-Q356 WeakPolarHBondContact O-CA 3.5Å; R353-Q356 VanDerWaalsContact O-CB 3.28Å; R353-Q356 WeakPolarHBondContact O-CB 3.36Å; R353-Q356 PolarHBondContact O-N 3.29Å; L354-Q356 PolarHBondContact O-N 2.9Å; Q356-D358 VanDerWaalsContact C-N 3.34Å; Q356-D358 PolarHBondContact O-N 3Å; Q356-C359 WeakPolarHBondContact O-CB 3.29Å; Q356-C359 PolarHBondContact O-N 2.89Å; Q356-C359 VanDerWaalsContact O-N 3.16Å; Q356-F360 HydrophobicContact CB-CE2 3.89Å; Q356-F360 HydrophobicContact CB-CZ 4.1Å; Q356-F360 WeakPolarHBondContact O-CD2 3.3Å; Q356-F360 WeakPolarHBondContact O-CG 3.4Å; Q356-F360 PolarHBondContact O-N 2.95Å
357	L	78.3	Confident	78.9	Confident	52 Å²	52	77.5 Å²	77.5	27%	0.272	38%	0.38	S	S	.	.	H	α-helix	trans	-58.5	-44.4	173	-65.9	169.9	0	0	0	111.5	W349 F352 R353 L354 C359 F360 D361	W349-L357 HydrophobicContact CD2-CD2 4.39Å; W349-L357 HydrophobicContact CE3-CD2 3.47Å; W349-L357 VanDerWaalsContact CE3-CD2 3.47Å; W349-L357 HydrophobicContact CZ3-CD2 4.05Å; F352-L357 HydrophobicContact CB-CD2 3.87Å; F352-L357 HydrophobicContact CB-CG 4.01Å; F352-L357 HydrophobicContact CD2-CD2 4.26Å; F352-L357 HydrophobicContact CG-CD2 4.49Å; R353-L357 PolarHBondContact O-N 3.49Å; R353-L357 VanDerWaalsContact O-N 3.1Å; L354-L357 WeakPolarHBondContact O-CB 3.31Å; L354-L357 PolarHBondContact O-N 3.24Å; L354-L357 VanDerWaalsContact O-N 3.15Å; L357-C359 VanDerWaalsContact C-N 3.34Å; L357-C359 PolarHBondContact O-N 3.03Å; L357-F360 PolarHBondContact O-N 2.92Å; L357-D361 PolarHBondContact O-N 3.37Å
358	D	71.9	Confident	79.2	Confident	91 Å²	91	82 Å²	82	49%	0.487	40%	0.395	S	S	.	.	H	α-helix	trans	-55.4	-47.2	172.7	-74.5	-42.6	0	0	0	111.5	L354 Q356 F360 D361 H362	L354-D358 PolarHBondContact O-N 3.46Å; Q356-D358 VanDerWaalsContact C-N 3.34Å; Q356-D358 PolarHBondContact O-N 3Å; D358-F360 PolarHBondContact O-N 3.35Å; D358-D361 PolarHBondContact O-N 3.36Å; D358-H362 PolarHBondContact O-N 3.47Å; D358-H362 VanDerWaalsContact O-N 3.09Å; D358-H362 PolarHBondContact O-ND1 3.34Å
359	C	74.3	Confident	79.1	Confident	31 Å²	31	78.6 Å²	78.6	21%	0.209	38%	0.38	C	S	.	.	H	α-helix	trans	-64.4	-37.2	177.7	-69.4	0	0	0	0	113	P355 Q356 L357 H362 M363	P355-C359 PolarHBondContact O-N 2.89Å; P355-C359 PolarHBondContact O-SG 3.19Å; Q356-C359 WeakPolarHBondContact O-CB 3.29Å; Q356-C359 PolarHBondContact O-N 2.89Å; Q356-C359 VanDerWaalsContact O-N 3.16Å; L357-C359 VanDerWaalsContact C-N 3.34Å; L357-C359 PolarHBondContact O-N 3.03Å; C359-H362 PolarHBondContact O-N 2.83Å; C359-M363 WeakPolarHBondContact O-CE 3.46Å; C359-M363 PolarHBondContact O-N 3.49Å
360	F	83.2	Confident	79.2	Confident	26 Å²	26	79 Å²	79	11%	0.114	39%	0.386	C	S	.	.	H	α-helix	trans	-68.8	-42.6	177	-56.9	-35.4	0	0	0	111.9	W332 I333 W349 F352 Q356 L357 D358 H362 M363 L364	W332-F360 HydrophobicContact CH2-CD1 4.29Å; W332-F360 HydrophobicContact CH2-CD2 4.28Å; W332-F360 HydrophobicContact CH2-CE1 4.27Å; W332-F360 HydrophobicContact CH2-CE2 4.26Å; W332-F360 HydrophobicContact CH2-CG 4.31Å; W332-F360 HydrophobicContact CH2-CZ 4.26Å; W332-F360 HydrophobicContact CZ2-CD1 4.07Å; W332-F360 AromaticContact CZ2-CE1 3.71Å; W332-F360 HydrophobicContact CZ2-CE1 3.71Å; W332-F360 HydrophobicContact CZ2-CE2 4.29Å; W332-F360 AromaticContact CZ2-CZ 3.83Å; W332-F360 HydrophobicContact CZ2-CZ 3.83Å; I333-F360 HydrophobicContact CD1-CD1 3.58Å; I333-F360 HydrophobicContact CD1-CE1 4.17Å; I333-F360 HydrophobicContact CD1-CG 4.37Å; W349-F360 HydrophobicContact CZ3-CB 4.44Å; W349-F360 HydrophobicContact CZ3-CD2 4.19Å; F352-F360 HydrophobicContact CB-CE2 4.19Å; F352-F360 AromaticContact CD1-CE2 3.62Å; F352-F360 HydrophobicContact CD1-CE2 3.62Å; F352-F360 HydrophobicContact CD1-CZ 4.17Å; F352-F360 HydrophobicContact CD2-CE2 4.24Å; F352-F360 AromaticContact CE1-CE2 3.97Å; F352-F360 HydrophobicContact CE1-CE2 3.97Å; F352-F360 HydrophobicContact CE1-CZ 4.28Å; F352-F360 AromaticContact CG-CE2 3.76Å; F352-F360 HydrophobicContact CG-CE2 3.76Å; F352-F360 HydrophobicContact CZ-CE2 4.42Å; Q356-F360 HydrophobicContact CB-CE2 3.89Å; Q356-F360 HydrophobicContact CB-CZ 4.1Å; Q356-F360 WeakPolarHBondContact O-CD2 3.3Å; Q356-F360 WeakPolarHBondContact O-CG 3.4Å; Q356-F360 PolarHBondContact O-N 2.95Å; L357-F360 PolarHBondContact O-N 2.92Å; D358-F360 PolarHBondContact O-N 3.35Å; F360-H362 VanDerWaalsContact C-N 3.34Å; F360-H362 PolarHBondContact O-N 2.69Å; F360-M363 HydrophobicContact CD1-CE 3.77Å; F360-M363 HydrophobicContact CE1-CE 4.37Å; F360-M363 PolarHBondContact O-N 3.27Å; F360-L364 WeakPolarHBondContact O-CG 3.38Å; F360-L364 PolarHBondContact O-N 3.05Å
361	D	81.8	Confident	79.4	Confident	87 Å²	87	76.5 Å²	76.5	47%	0.465	37%	0.369	S	S	.	.	H	α-helix	trans	-56.1	-46.3	172.6	178.4	61.2	0	0	0	111.4	L357 D358 M363 L364 L365	L357-D361 PolarHBondContact O-N 3.37Å; D358-D361 PolarHBondContact O-N 3.36Å; D361-M363 VanDerWaalsContact C-N 3.31Å; D361-M363 PolarHBondContact O-N 2.95Å; D361-L364 PolarHBondContact O-N 2.93Å; D361-L365 WeakPolarHBondContact O-CB 3.43Å; D361-L365 PolarHBondContact O-N 3.27Å
362	H	77.2	Confident	79.3	Confident	75 Å²	75	73.4 Å²	73.4	35%	0.347	35%	0.352	S	S	.	.	H	α-helix	trans	-64.1	-32.2	178.6	-74.4	63.9	0	0	0	113.3	F321 D358 C359 F360 K366	F321-H362 HydrophobicContact CD2-CB 4.42Å; F321-H362 AromaticContact CD2-CD2 3.85Å; D358-H362 PolarHBondContact O-N 3.47Å; D358-H362 VanDerWaalsContact O-N 3.09Å; D358-H362 PolarHBondContact O-ND1 3.34Å; C359-H362 PolarHBondContact O-N 2.83Å; F360-H362 VanDerWaalsContact C-N 3.34Å; F360-H362 PolarHBondContact O-N 2.69Å; H362-K366 PolarHBondContact O-N 2.99Å
363	M	84.6	Confident	79	Confident	9 Å²	9	75.1 Å²	75.1	4%	0.044	36%	0.364	C	S	.	.	H	α-helix	trans	-77.5	-42	175.4	-74	-174.7	-78.1	0	0	112.6	Y324 I329 P330 I333 C359 F360 D361 K366 L367	Y324-M363 HydrophobicContact CD1-SD 4.32Å; Y324-M363 HydrophobicContact CD2-CG 4.21Å; Y324-M363 HydrophobicContact CG-CG 4.23Å; Y324-M363 HydrophobicContact CG-SD 4.47Å; I329-M363 HydrophobicContact CB-SD 4.38Å; I329-M363 HydrophobicContact CD1-CB 4.37Å; I329-M363 HydrophobicContact CG1-CB 4.28Å; I329-M363 HydrophobicContact CG1-CG 4.12Å; I329-M363 HydrophobicContact CG1-SD 4.18Å; I329-M363 HydrophobicContact CG2-CB 4.25Å; I329-M363 HydrophobicContact CG2-SD 4.2Å; P330-M363 VanDerWaalsContact CD-SD 3.59Å; I333-M363 HydrophobicContact CD1-CE 3.63Å; I333-M363 HydrophobicContact CD1-SD 4.23Å; C359-M363 WeakPolarHBondContact O-CE 3.46Å; C359-M363 PolarHBondContact O-N 3.49Å; F360-M363 HydrophobicContact CD1-CE 3.77Å; F360-M363 HydrophobicContact CE1-CE 4.37Å; F360-M363 PolarHBondContact O-N 3.27Å; D361-M363 VanDerWaalsContact C-N 3.31Å; D361-M363 PolarHBondContact O-N 2.95Å; M363-K366 WeakPolarHBondContact O-CB 3.27Å; M363-K366 PolarHBondContact O-N 3.37Å; M363-K366 VanDerWaalsContact O-N 3.09Å; M363-L367 PolarHBondContact O-N 2.77Å
364	L	85.5	Confident	78.9	Confident	40 Å²	40	70.2 Å²	70.2	21%	0.209	36%	0.355	C	S	.	.	H	α-helix	trans	-61.2	-45.2	174.2	-72.5	168.9	0	0	0	111.3	I333 Y336 A337 W349 F360 D361 K366 L367 Y368	I333-L364 HydrophobicContact CG2-CD2 3.62Å; I333-L364 HydrophobicContact CG2-CG 3.96Å; Y336-L364 HydrophobicContact CD1-CD1 4.35Å; Y336-L364 HydrophobicContact CD1-CD2 3.98Å; Y336-L364 HydrophobicContact CE1-CD1 4.08Å; Y336-L364 HydrophobicContact CE1-CD2 4.32Å; A337-L364 HydrophobicContact CB-CD2 3.86Å; W349-L364 HydrophobicContact CH2-CD1 4.24Å; F360-L364 WeakPolarHBondContact O-CG 3.38Å; F360-L364 PolarHBondContact O-N 3.05Å; D361-L364 PolarHBondContact O-N 2.93Å; L364-K366 PolarHBondContact O-N 3.45Å; L364-K366 VanDerWaalsContact O-N 3.17Å; L364-L367 PolarHBondContact O-N 3.28Å; L364-L367 VanDerWaalsContact O-N 3.11Å; L364-Y368 WeakPolarHBondContact O-CB 3.4Å; L364-Y368 PolarHBondContact O-N 3.28Å
365	L	82	Confident	79.2	Confident	41 Å²	41	67.3 Å²	67.3	22%	0.215	34%	0.343	C	S	.	.	H	α-helix	trans	-67	-14.1	176.2	-165.6	140.6	0	0	0	113	F321 D361 K369 V838	F321-L365 HydrophobicContact CE2-CD2 3.79Å; F321-L365 HydrophobicContact CZ-CD2 4.07Å; D361-L365 WeakPolarHBondContact O-CB 3.43Å; D361-L365 PolarHBondContact O-N 3.27Å; L365-K369 HydrophobicContact CD2-CD 4.25Å; L365-K369 WeakPolarHBondContact O-CD 3.42Å; L365-K369 VanDerWaalsContact O-CG 3.28Å; L365-K369 WeakPolarHBondContact O-CG 3.4Å; L365-V838 HydrophobicContact CD1-CG2 4.23Å
366	K	83.4	Confident	79.2	Confident	54 Å²	54	66.5 Å²	66.5	24%	0.235	34%	0.336	C	S	.	.	H	α-helix	trans	-84.6	-42.7	167.9	-174.8	161	-174.5	157.3	0	112.5	Y324 H362 M363 L364 K369 Q370	Y324-K366 WeakPolarHBondContact O-CD 3.36Å; Y324-K366 WeakPolarHBondContact O-CE 3.28Å; Y324-K366 PolarHBondContact O-NZ 3.1Å; H362-K366 PolarHBondContact O-N 2.99Å; M363-K366 WeakPolarHBondContact O-CB 3.27Å; M363-K366 PolarHBondContact O-N 3.37Å; M363-K366 VanDerWaalsContact O-N 3.09Å; L364-K366 PolarHBondContact O-N 3.45Å; L364-K366 VanDerWaalsContact O-N 3.17Å; K366-K369 PolarHBondContact O-N 2.97Å; K366-Q370 PolarHBondContact O-N 2.83Å
367	L	84.3	Confident	79.1	Confident	25 Å²	25	67.8 Å²	67.8	13%	0.131	35%	0.345	C	S	.	.	H	α-helix	trans	-61	-48.1	173.9	-68.2	175.7	0	0	0	111.2	V326 I329 I333 A337 M363 L364 K369 Q370 E371	V326-L367 HydrophobicContact CG1-CD2 4.41Å; I329-L367 HydrophobicContact CD1-CD2 3.8Å; I329-L367 HydrophobicContact CD1-CG 3.86Å; I329-L367 HydrophobicContact CG2-CD1 4.28Å; I333-L367 HydrophobicContact CG2-CD1 4.23Å; A337-L367 HydrophobicContact CB-CB 4.45Å; A337-L367 HydrophobicContact CB-CD1 3.58Å; M363-L367 PolarHBondContact O-N 2.77Å; L364-L367 PolarHBondContact O-N 3.28Å; L364-L367 VanDerWaalsContact O-N 3.11Å; L367-K369 VanDerWaalsContact C-N 3.29Å; L367-K369 PolarHBondContact O-N 2.97Å; L367-Q370 WeakPolarHBondContact O-CA 3.48Å; L367-Q370 WeakPolarHBondContact O-CB 3.21Å; L367-Q370 PolarHBondContact O-N 2.99Å; L367-E371 PolarHBondContact O-N 2.81Å
368	Y	81.9	Confident	79	Confident	134 Å²	134	67.4 Å²	67.4	53%	0.525	35%	0.349	S	S	.	.	H	α-helix	trans	-60.2	-35.8	179.4	-175.2	-119.5	0	0	0	113.1	L364 E371 I372	L364-Y368 WeakPolarHBondContact O-CB 3.4Å; L364-Y368 PolarHBondContact O-N 3.28Å; Y368-E371 PolarHBondContact O-N 3.37Å; Y368-I372 HydrophobicContact CD1-CD1 3.9Å; Y368-I372 HydrophobicContact CE1-CD1 3.53Å; Y368-I372 HydrophobicContact CE2-CD1 4.33Å; Y368-I372 HydrophobicContact CG-CD1 4.44Å; Y368-I372 WeakPolarHBondContact O-CG1 3.31Å; Y368-I372 PolarHBondContact O-N 3.03Å
369	K	79.4	Confident	78.8	Confident	71 Å²	71	70.6 Å²	70.6	31%	0.309	36%	0.355	S	S	.	.	H	α-helix	trans	-68.1	-33.7	172.6	-78.4	174	-178.9	171	0	113.2	F321 L365 K366 L367 N373	F321-K369 HydrophobicContact CZ-CD 4.35Å; L365-K369 HydrophobicContact CD2-CD 4.25Å; L365-K369 WeakPolarHBondContact O-CD 3.42Å; L365-K369 VanDerWaalsContact O-CG 3.28Å; L365-K369 WeakPolarHBondContact O-CG 3.4Å; K366-K369 PolarHBondContact O-N 2.97Å; L367-K369 VanDerWaalsContact C-N 3.29Å; L367-K369 PolarHBondContact O-N 2.97Å; K369-N373 WeakPolarHBondContact O-CB 3.47Å; K369-N373 PolarHBondContact O-N 2.68Å; K369-N373 PolarHBondContact O-OD1 2.84Å
370	Q	80.7	Confident	78.6	Confident	89 Å²	89	72.4 Å²	72.4	42%	0.416	36%	0.36	S	S	.	.	H	α-helix	trans	-70.7	-38.9	174.7	-177	179.3	-2.8	0	0	111.1	V326 K366 L367 N373 T374	V326-Q370 VanDerWaalsContact CG1-OE1 3.27Å; V326-Q370 VanDerWaalsContact CG2-OE1 3.24Å; K366-Q370 PolarHBondContact O-N 2.83Å; L367-Q370 WeakPolarHBondContact O-CA 3.48Å; L367-Q370 WeakPolarHBondContact O-CB 3.21Å; L367-Q370 PolarHBondContact O-N 2.99Å; Q370-N373 PolarHBondContact O-N 3.03Å; Q370-T374 WeakPolarHBondContact O-CB 3.48Å; Q370-T374 PolarHBondContact O-N 3.29Å; Q370-T374 PolarHBondContact O-OG1 3.37Å
371	E	81.6	Confident	78	Confident	108 Å²	108	78 Å²	78	51%	0.505	38%	0.381	S	S	.	.	H	α-helix	trans	-62.4	-49.8	174.3	-175.9	168.9	-131.9	0	0	111.6	L367 Y368 N373 T374 V375	L367-E371 PolarHBondContact O-N 2.81Å; Y368-E371 PolarHBondContact O-N 3.37Å; E371-N373 VanDerWaalsContact C-N 3.34Å; E371-N373 PolarHBondContact O-N 3.45Å; E371-T374 WeakPolarHBondContact O-CA 3.4Å; E371-T374 WeakPolarHBondContact O-CB 3.46Å; E371-T374 PolarHBondContact O-N 3.42Å; E371-V375 WeakPolarHBondContact O-CG2 3.39Å; E371-V375 PolarHBondContact O-N 2.72Å
372	I	76.5	Confident	77	Confident	73 Å²	73	79.7 Å²	79.7	37%	0.374	39%	0.386	S	S	.	.	H	α-helix	trans	-54.8	-48.5	172.9	-71.2	168.4	0	0	0	111.2	Y368 T374 V375 V376	Y368-I372 HydrophobicContact CD1-CD1 3.9Å; Y368-I372 HydrophobicContact CE1-CD1 3.53Å; Y368-I372 HydrophobicContact CE2-CD1 4.33Å; Y368-I372 HydrophobicContact CG-CD1 4.44Å; Y368-I372 WeakPolarHBondContact O-CG1 3.31Å; Y368-I372 PolarHBondContact O-N 3.03Å; I372-T374 VanDerWaalsContact C-N 3.25Å; I372-T374 PolarHBondContact O-N 3.42Å; I372-V375 PolarHBondContact O-N 3.48Å; I372-V376 HydrophobicContact CG2-CG2 4.33Å; I372-V376 WeakPolarHBondContact O-CG2 3.28Å; I372-V376 PolarHBondContact O-N 3.28Å
373	N	75.1	Confident	76	Confident	94 Å²	94	83.9 Å²	83.9	50%	0.503	41%	0.406	S	S	.	.	H	α-helix	trans	-60.4	-36	177.2	-72.8	-5.8	0	0	0	112.2	K369 Q370 E371 I377	K369-N373 WeakPolarHBondContact O-CB 3.47Å; K369-N373 PolarHBondContact O-N 2.68Å; K369-N373 PolarHBondContact O-OD1 2.84Å; Q370-N373 PolarHBondContact O-N 3.03Å; E371-N373 VanDerWaalsContact C-N 3.34Å; E371-N373 PolarHBondContact O-N 3.45Å; N373-I377 WeakPolarHBondContact O-CB 3.39Å; N373-I377 WeakPolarHBondContact O-CD1 3.18Å; N373-I377 WeakPolarHBondContact O-CG1 3.38Å; N373-I377 PolarHBondContact O-N 3.19Å
374	T	77.1	Confident	74.4	Confident	85 Å²	85	91 Å²	91	52%	0.521	44%	0.441	S	S	.	.	H	α-helix	trans	-68.6	-40.5	178.1	-53.1	0	0	0	0	111.2	Q370 E371 I372 A378	Q370-T374 WeakPolarHBondContact O-CB 3.48Å; Q370-T374 PolarHBondContact O-N 3.29Å; Q370-T374 PolarHBondContact O-OG1 3.37Å; E371-T374 WeakPolarHBondContact O-CA 3.4Å; E371-T374 WeakPolarHBondContact O-CB 3.46Å; E371-T374 PolarHBondContact O-N 3.42Å; I372-T374 VanDerWaalsContact C-N 3.25Å; I372-T374 PolarHBondContact O-N 3.42Å; T374-A378 PolarHBondContact O-N 3.47Å
375	V	76	Confident	73	Confident	75 Å²	75	95.5 Å²	95.5	46%	0.455	46%	0.46	S	S	.	.	H	α-helix	trans	-66.3	-42.5	174.6	172.4	0	0	0	0	111.2	E371 I372 A378 Y379	E371-V375 WeakPolarHBondContact O-CG2 3.39Å; E371-V375 PolarHBondContact O-N 2.72Å; I372-V375 PolarHBondContact O-N 3.48Å; V375-A378 WeakPolarHBondContact O-CB 3.24Å; V375-A378 PolarHBondContact O-N 2.95Å; V375-Y379 HydrophobicContact CG1-CD2 3.78Å; V375-Y379 HydrophobicContact CG1-CE2 3.75Å; V375-Y379 WeakPolarHBondContact O-CD2 3.48Å; V375-Y379 PolarHBondContact O-N 3.34Å
376	V	72.3	Confident	71.1	Confident	63 Å²	63	98.3 Å²	98.3	38%	0.382	48%	0.482	S	S	.	.	H	α-helix	trans	-61.4	-46.8	175.5	170.1	0	0	0	0	111.1	I372 A378 Y379 E380	I372-V376 HydrophobicContact CG2-CG2 4.33Å; I372-V376 WeakPolarHBondContact O-CG2 3.28Å; I372-V376 PolarHBondContact O-N 3.28Å; V376-A378 PolarHBondContact O-N 3.26Å; V376-Y379 PolarHBondContact O-N 2.89Å; V376-E380 HydrophobicContact CG1-CG 4.21Å; V376-E380 WeakPolarHBondContact CG1-OE1 3.36Å; V376-E380 WeakPolarHBondContact O-CB 3.27Å; V376-E380 WeakPolarHBondContact O-CG 3.44Å; V376-E380 PolarHBondContact O-N 2.99Å
377	I	74.7	Confident	69.1	Low	101 Å²	101	103.8 Å²	103.8	52%	0.518	51%	0.509	S	S	.	.	H	α-helix	trans	-63.3	-28.4	176.4	-69.8	164.6	0	0	0	112.1	N373 R381	N373-I377 WeakPolarHBondContact O-CB 3.39Å; N373-I377 WeakPolarHBondContact O-CD1 3.18Å; N373-I377 WeakPolarHBondContact O-CG1 3.38Å; N373-I377 PolarHBondContact O-N 3.19Å; I377-R381 VanDerWaalsContact O-CB 3.3Å; I377-R381 WeakPolarHBondContact O-CB 3.43Å; I377-R381 PolarHBondContact O-N 2.71Å; I377-R381 VanDerWaalsContact O-N 3.17Å
378	A	76.1	Confident	67.2	Low	43 Å²	43	107.4 Å²	107.4	36%	0.355	53%	0.534	S	S	.	.	H	α-helix	trans	-71.7	-46.6	172.8	0	0	0	0	0	111.7	T374 V375 V376 R381 E382	T374-A378 PolarHBondContact O-N 3.47Å; V375-A378 WeakPolarHBondContact O-CB 3.24Å; V375-A378 PolarHBondContact O-N 2.95Å; V376-A378 PolarHBondContact O-N 3.26Å; A378-R381 WeakPolarHBondContact O-CB 3.49Å; A378-R381 PolarHBondContact O-N 3.32Å; A378-E382 PolarHBondContact O-N 2.85Å
379	Y	68	Low	65	Low	159 Å²	159	106.6 Å²	106.6	62%	0.624	55%	0.548	S	S	*	.	H	α-helix	trans	-61.3	-46.1	174.5	-86.6	-72	0	0	0	112.5	V375 V376 R381 E382 E383	V375-Y379 HydrophobicContact CG1-CD2 3.78Å; V375-Y379 HydrophobicContact CG1-CE2 3.75Å; V375-Y379 WeakPolarHBondContact O-CD2 3.48Å; V375-Y379 PolarHBondContact O-N 3.34Å; V376-Y379 PolarHBondContact O-N 2.89Å; Y379-R381 PolarHBondContact O-N 3.34Å; Y379-E382 PolarHBondContact O-N 3.22Å; Y379-E383 WeakPolarHBondContact O-CB 3.4Å; Y379-E383 PolarHBondContact O-N 3.48Å
380	E	69.8	Low	63.4	Low	68 Å²	68	111.1 Å²	111.1	32%	0.318	57%	0.57	S	S	.	*	H	α-helix	trans	-60.7	-30.1	176.3	-71.7	173	169.4	0	0	112	V376 M384 F827	V376-E380 HydrophobicContact CG1-CG 4.21Å; V376-E380 WeakPolarHBondContact CG1-OE1 3.36Å; V376-E380 WeakPolarHBondContact O-CB 3.27Å; V376-E380 WeakPolarHBondContact O-CG 3.44Å; V376-E380 PolarHBondContact O-N 2.99Å; E380-M384 WeakPolarHBondContact O-CG 3.35Å; E380-M384 PolarHBondContact O-N 3.31Å; E380-F827 WeakPolarHBondContact OE1-CE1 3.35Å
381	R	71	Confident	61.3	Low	145 Å²	145	113.4 Å²	113.4	55%	0.547	59%	0.592	S	S	.	*	H	α-helix	trans	-75.6	-47.7	173	175.6	-171.3	-69.4	-93.3	0.2	112.2	I377 A378 Y379 E383 M384 E385	I377-R381 VanDerWaalsContact O-CB 3.3Å; I377-R381 WeakPolarHBondContact O-CB 3.43Å; I377-R381 PolarHBondContact O-N 2.71Å; I377-R381 VanDerWaalsContact O-N 3.17Å; A378-R381 WeakPolarHBondContact O-CB 3.49Å; A378-R381 PolarHBondContact O-N 3.32Å; Y379-R381 PolarHBondContact O-N 3.34Å; R381-E383 PolarHBondContact O-N 3.45Å; R381-M384 CarbonylContact O-C 3.55Å; R381-M384 PolarHBondContact O-N 2.83Å; R381-E385 VanDerWaalsContact CD-OE1 3.29Å; R381-E385 WeakPolarHBondContact CD-OE1 3.34Å; R381-E385 HydrophobicContact CG-CG 4.13Å; R381-E385 WeakPolarHBondContact CG-OE1 3.19Å; R381-E385 IonicContact NH1-OE1 3.29Å; R381-E385 PolarHBondContact NH1-OE1 3.46Å; R381-E385 VanDerWaalsContact NH1-OE1 3.15Å; R381-E385 WeakPolarHBondContact O-CG 3.41Å; R381-E385 PolarHBondContact O-N 2.85Å
382	E	60.3	Low	58.9	Low	122 Å²	122	112.3 Å²	112.3	57%	0.57	60%	0.602	S	S	*	*	H	α-helix	trans	-62.1	-33.4	178.6	-72.8	-179.8	179	0	0	111.4	A378 Y379 C386	A378-E382 PolarHBondContact O-N 2.85Å; Y379-E382 PolarHBondContact O-N 3.22Å; E382-C386 PolarHBondContact O-SG 3.44Å
383	E	55.9	Low	56.9	Low	163 Å²	163	113.2 Å²	113.2	76%	0.762	62%	0.62	S	S	*	*	H	α-helix	trans	-68.9	-30.3	172.2	-168.4	168.2	-152	0	0	112.8	Y379 R381	Y379-E383 WeakPolarHBondContact O-CB 3.4Å; Y379-E383 PolarHBondContact O-N 3.48Å; R381-E383 PolarHBondContact O-N 3.45Å
384	M	51.6	Low	55.2	Low	159 Å²	159	117 Å²	117	78%	0.783	64%	0.639	S	S	*	*	H	α-helix	trans	-84.3	-27.7	173.5	-75	-171.5	-172.6	0	0	114.6	E380 R381 C386	E380-M384 WeakPolarHBondContact O-CG 3.35Å; E380-M384 PolarHBondContact O-N 3.31Å; R381-M384 CarbonylContact O-C 3.55Å; R381-M384 PolarHBondContact O-N 2.83Å; M384-C386 VanDerWaalsContact C-N 3.29Å; M384-C386 PolarHBondContact O-N 3.35Å
385	E	55.7	Low	53.4	Low	133 Å²	133	122 Å²	122	62%	0.621	66%	0.657	S	S	*	*	H	α-helix	trans	-82.3	-5.9	-178.4	-71.6	179.3	-166.7	0	0	112.5	R381 E387	R381-E385 VanDerWaalsContact CD-OE1 3.29Å; R381-E385 WeakPolarHBondContact CD-OE1 3.34Å; R381-E385 HydrophobicContact CG-CG 4.13Å; R381-E385 WeakPolarHBondContact CG-OE1 3.19Å; R381-E385 IonicContact NH1-OE1 3.29Å; R381-E385 PolarHBondContact NH1-OE1 3.46Å; R381-E385 VanDerWaalsContact NH1-OE1 3.15Å; R381-E385 WeakPolarHBondContact O-CG 3.41Å; R381-E385 PolarHBondContact O-N 2.85Å; E385-E387 PolarHBondContact O-N 3.26Å
386	C	42.8	Very low	51.9	Low	100 Å²	100	123.3 Å²	123.3	68%	0.676	67%	0.669	S	S	*	*			trans	-96.8	50.5	177.9	-68.4	0	0	0	0	114.8	E382 M384 P388	E382-C386 PolarHBondContact O-SG 3.44Å; M384-C386 VanDerWaalsContact C-N 3.29Å; M384-C386 PolarHBondContact O-N 3.35Å; C386-P388 WeakPolarHBondContact O-CD 3.31Å
387	E	41.5	Very low	50.9	Low	170 Å²	170	124.1 Å²	124.1	79%	0.794	68%	0.676	S	S	*	*			trans	-66.2	118	172.9	-104.4	-71.2	144.8	0	0	111.9	E385 S389	E385-E387 PolarHBondContact O-N 3.26Å; E387-S389 PolarHBondContact O-N 3.4Å
388	P	44.5	Very low	50.1	Low	100 Å²	100	121.5 Å²	121.5	65%	0.649	66%	0.664	S	S	*	*			trans	-85.8	111.7	-172.8	32.7	-32.8	0	0	0	112.3	C386 H390	C386-P388 WeakPolarHBondContact O-CD 3.31Å; P388-H390 PolarHBondContact O-N 3.28Å
389	S	35	Very low	49.6	Very low	118 Å²	118	122.3 Å²	122.3	83%	0.825	67%	0.667	S	S	*	*			trans	-74.3	50.4	-178.6	52	0	0	0	0	115.3	E387	E387-S389 PolarHBondContact O-N 3.4Å
390	H	45.6	Very low	49.9	Very low	166 Å²	166	118.2 Å²	118.2	77%	0.769	67%	0.666	S	S	*	*			trans	-148.5	110	171.2	-101.3	-71.2	0	0	0	113.5	P388 A392	P388-H390 PolarHBondContact O-N 3.28Å; H390-A392 PolarHBondContact O-N 3.36Å; H390-A392 VanDerWaalsContact O-N 3.12Å
391	P	37.4	Very low	50.3	Low	136 Å²	136	119.2 Å²	119.2	88%	0.883	67%	0.668	S	S	*	*			trans	-87.3	72.3	179.5	35	-35.1	0	0	0	112.2
392	A	31.3	Very low	50.8	Low	85 Å²	85	112.7 Å²	112.7	70%	0.702	64%	0.644	S	S	*	*			trans	-156	135.8	173.7	0	0	0	0	0	115.7	H390	H390-A392 PolarHBondContact O-N 3.36Å; H390-A392 VanDerWaalsContact O-N 3.12Å
393	A	33.8	Very low	51.9	Low	93 Å²	93	112 Å²	112	77%	0.769	64%	0.642	S	S	*	*			trans	78.8	130.6	149.4	0	0	0	0	0	121.5
394	L	38.3	Very low	53.5	Low	172 Å²	172	107.8 Å²	107.8	90%	0.901	62%	0.624	S	S	*	*			trans	79.6	127.3	158.7	-57.5	172.8	0	0	0	119.1
395	H	39.7	Very low	55.4	Low	191 Å²	191	102.9 Å²	102.9	88%	0.884	60%	0.597	S	S	*	*			trans	-82.1	132.3	-175.5	-51.1	133.7	0	0	0	112.8
396	S	45.8	Very low	57.1	Low	102 Å²	102	98.2 Å²	98.2	71%	0.713	58%	0.578	S	S	*	*			trans	-85.3	120.9	162	-178.7	0	0	0	0	110	T398	S396-T398 PolarHBondContact O-N 3.04Å; S396-T398 VanDerWaalsContact O-N 3.12Å
397	P	50	Low	59.5	Low	81 Å²	81	97.8 Å²	97.8	53%	0.526	57%	0.566	S	S	.	*	S	Bend	trans	-85	25	-170.8	35.6	-37.8	0	0	0	114.6	R622	P397-R622 HydrophobicContact CB-CG 3.99Å; P397-R622 PolarHBondContact O-NE 3.08Å; P397-R622 PolarHBondContact O-NH2 2.95Å
398	T	57.5	Low	61.9	Low	46 Å²	46	91.5 Å²	91.5	28%	0.282	54%	0.536	S	S	.	.	S	Bend	trans	-148.9	118	167.8	-41.5	0	0	0	0	108.4	S396 M403 R622	S396-T398 PolarHBondContact O-N 3.04Å; S396-T398 VanDerWaalsContact O-N 3.12Å; T398-M403 HydrophobicContact CG2-CG 3.82Å; T398-M403 HydrophobicContact CG2-SD 3.8Å; T398-R622 PolarHBondContact OG1-NH2 3.07Å
399	S	65.7	Low	64.2	Low	59 Å²	59	87.3 Å²	87.3	41%	0.413	51%	0.508	S	S	.	.			trans	-76.9	148.2	173.5	-178.4	0	0	0	0	110.8	Y401 D402 M403	S399-Y401 PolarHBondContact O-N 3.02Å; S399-Y401 PolarHBondContact OG-N 3.3Å; S399-D402 PolarHBondContact O-N 3.09Å; S399-M403 PolarHBondContact O-N 3.36Å; S399-M403 VanDerWaalsContact O-N 3.13Å
400	A	75	Confident	67	Low	73 Å²	73	85.2 Å²	85.2	60%	0.603	49%	0.487	S	S	*	.	H	α-helix	trans	-56.1	-30.3	168.5	0	0	0	0	0	111.8	M403 N404	A400-M403 PolarHBondContact O-N 2.99Å; A400-N404 VanDerWaalsContact O-CG 3.29Å; A400-N404 PolarHBondContact O-N 3.36Å; A400-N404 PolarHBondContact O-ND2 2.83Å
401	Y	77.3	Confident	69.3	Low	90 Å²	90	81.5 Å²	81.5	35%	0.353	47%	0.47	S	S	.	.	H	α-helix	trans	-63.1	-41.2	172.6	-179.2	-108.4	0	0	0	112.9	S399 N404 R405 K823	S399-Y401 PolarHBondContact O-N 3.02Å; S399-Y401 PolarHBondContact OG-N 3.3Å; Y401-N404 PolarHBondContact O-N 3.03Å; Y401-R405 VanDerWaalsContact CE1-CD 3.5Å; Y401-R405 HydrophobicContact CE1-CG 4.42Å; Y401-R405 WeakPolarHBondContact O-CG 3.49Å; Y401-R405 PolarHBondContact O-N 2.94Å; Y401-R405 VanDerWaalsContact O-N 3.11Å; Y401-K823 HydrophobicContact CE2-CG 4.23Å
402	D	81.7	Confident	72.1	Confident	8 Å²	8	78.3 Å²	78.3	4%	0.043	44%	0.443	C	S	.	.	H	α-helix	trans	-70.4	-38.1	179	-65.2	-40.4	0	0	0	110.9	S399 R405 V406 I618 K621	S399-D402 PolarHBondContact O-N 3.09Å; D402-R405 PolarHBondContact O-N 3.45Å; D402-R405 IonicContact OD1-NH1 2.72Å; D402-R405 PolarHBondContact OD1-NH1 2.65Å; D402-V406 WeakPolarHBondContact O-CG2 3.37Å; D402-V406 PolarHBondContact O-N 3.07Å; D402-V406 VanDerWaalsContact O-N 3.08Å; D402-I618 HydrophobicContact CB-CD1 4.08Å; D402-I618 HydrophobicContact CB-CG1 4.23Å; D402-K621 IonicContact OD1-NZ 2.64Å; D402-K621 PolarHBondContact OD1-NZ 3.33Å; D402-K621 IonicContact OD2-NZ 3.71Å; D402-K621 PolarHBondContact OD2-NZ 3.38Å
403	M	84.5	Confident	75.1	Confident	107 Å²	107	75.4 Å²	75.4	53%	0.527	42%	0.415	S	S	.	.	H	α-helix	trans	-62.7	-39.8	172	-70.6	-57.5	-57.2	0	0	112.7	T398 S399 A400 V406 H407	T398-M403 HydrophobicContact CG2-CG 3.82Å; T398-M403 HydrophobicContact CG2-SD 3.8Å; S399-M403 PolarHBondContact O-N 3.36Å; S399-M403 VanDerWaalsContact O-N 3.13Å; A400-M403 PolarHBondContact O-N 2.99Å; M403-V406 PolarHBondContact O-N 3.38Å; M403-H407 WeakPolarHBondContact O-CB 3.38Å; M403-H407 PolarHBondContact O-N 2.88Å
404	N	88.4	Confident	78	Confident	74 Å²	74	75.7 Å²	75.7	40%	0.396	40%	0.404	S	S	.	.	H	α-helix	trans	-63.1	-41.2	175.4	-74.8	-21	0	0	0	111.8	A400 Y401 H407 E408	A400-N404 VanDerWaalsContact O-CG 3.29Å; A400-N404 PolarHBondContact O-N 3.36Å; A400-N404 PolarHBondContact O-ND2 2.83Å; Y401-N404 PolarHBondContact O-N 3.03Å; N404-H407 PolarHBondContact O-N 2.99Å; N404-E408 WeakPolarHBondContact O-CG 3.4Å; N404-E408 PolarHBondContact O-N 3.02Å
405	R	91.6	Very high	80.7	Confident	56 Å²	56	72.1 Å²	72.1	21%	0.211	38%	0.384	C	S	.	.	H	α-helix	trans	-61.5	-43.7	174.9	-71.3	167.2	60.8	-162.7	7.8	112.4	Y401 D402 H407 E408 E409 I614 E617	Y401-R405 VanDerWaalsContact CE1-CD 3.5Å; Y401-R405 HydrophobicContact CE1-CG 4.42Å; Y401-R405 WeakPolarHBondContact O-CG 3.49Å; Y401-R405 PolarHBondContact O-N 2.94Å; Y401-R405 VanDerWaalsContact O-N 3.11Å; D402-R405 PolarHBondContact O-N 3.45Å; D402-R405 IonicContact OD1-NH1 2.72Å; D402-R405 PolarHBondContact OD1-NH1 2.65Å; R405-H407 VanDerWaalsContact C-N 3.35Å; R405-E408 PolarHBondContact O-N 3.44Å; R405-E409 PolarHBondContact O-N 2.99Å; R405-I614 HydrophobicContact CB-CD1 3.84Å; R405-I614 HydrophobicContact CB-CG1 4.38Å; R405-E617 IonicContact CZ-OE1 2.89Å; R405-E617 IonicContact CZ-OE2 3.21Å; R405-E617 IonicContact NH1-OE1 3.15Å; R405-E617 PolarHBondContact NH1-OE1 3.19Å; R405-E617 IonicContact NH1-OE2 2.7Å; R405-E617 PolarHBondContact NH1-OE2 3.42Å; R405-E617 IonicContact NH2-OE2 2.87Å; R405-E617 PolarHBondContact NH2-OE2 3.41Å
406	V	92.2	Very high	83.3	Confident	36 Å²	36	63.3 Å²	63.3	22%	0.218	35%	0.345	C	S	.	.	H	α-helix	trans	-60.9	-44.5	173.8	173.2	0	0	0	0	110.8	D402 M403 E409 L410 L611 I614	D402-V406 WeakPolarHBondContact O-CG2 3.37Å; D402-V406 PolarHBondContact O-N 3.07Å; D402-V406 VanDerWaalsContact O-N 3.08Å; M403-V406 PolarHBondContact O-N 3.38Å; V406-E409 PolarHBondContact O-N 3.45Å; V406-L410 HydrophobicContact CG1-CD1 3.8Å; V406-L410 HydrophobicContact CG1-CG 4.33Å; V406-L410 WeakPolarHBondContact O-CB 3.43Å; V406-L410 VanDerWaalsContact O-CG 3.3Å; V406-L410 WeakPolarHBondContact O-CG 2.72Å; V406-L410 PolarHBondContact O-N 2.87Å; V406-L611 HydrophobicContact CB-CD2 4.42Å; V406-L611 HydrophobicContact CG1-CD2 4.02Å; V406-I614 HydrophobicContact CG2-CG2 3.61Å
407	H	92	Very high	85.8	Confident	90 Å²	90	60.6 Å²	60.6	42%	0.417	32%	0.324	S	S	.	.	H	α-helix	trans	-62	-44.4	178.8	-175.9	79.6	0	0	0	112.5	M403 N404 R405 E409 L410 E411 A828	M403-H407 WeakPolarHBondContact O-CB 3.38Å; M403-H407 PolarHBondContact O-N 2.88Å; N404-H407 PolarHBondContact O-N 2.99Å; R405-H407 VanDerWaalsContact C-N 3.35Å; H407-E409 PolarHBondContact O-N 3.33Å; H407-L410 PolarHBondContact O-N 3.35Å; H407-E411 PolarHBondContact O-N 2.78Å; H407-A828 WeakPolarHBondContact NE2-CA 3.34Å; H407-A828 WeakPolarHBondContact NE2-CB 3.38Å; H407-A828 PolarHBondContact NE2-O 2.72Å
408	E	91.6	Very high	88	Confident	38 Å²	38	62.3 Å²	62.3	18%	0.178	33%	0.329	C	S	.	.	H	α-helix	trans	-61.6	-41.9	177.2	-73.8	-172.6	-156.5	0	0	113	N404 R405 E411 K412 F825	N404-E408 WeakPolarHBondContact O-CG 3.4Å; N404-E408 PolarHBondContact O-N 3.02Å; R405-E408 PolarHBondContact O-N 3.44Å; E408-E411 PolarHBondContact O-N 2.67Å; E408-K412 VanDerWaalsContact O-CD 3.27Å; E408-K412 WeakPolarHBondContact O-CD 3.23Å; E408-K412 VanDerWaalsContact O-CG 3.22Å; E408-K412 WeakPolarHBondContact O-CG 3.41Å; E408-K412 PolarHBondContact O-N 3.1Å; E408-K412 IonicContact OE2-NZ 2.63Å; E408-K412 PolarHBondContact OE2-NZ 3.45Å; E408-F825 HydrophobicContact CG-CB 4.25Å; E408-F825 WeakPolarHBondContact OE1-CB 3.5Å
409	E	93.7	Very high	89.8	Confident	12 Å²	12	62.4 Å²	62.4	6%	0.056	33%	0.329	C	S	.	.	H	α-helix	trans	-75.3	-28	179.2	-65.3	-61.2	149.5	0	0	112.6	R405 V406 H407 K412 L413 S607 R610 L611 I614	R405-E409 PolarHBondContact O-N 2.99Å; V406-E409 PolarHBondContact O-N 3.45Å; H407-E409 PolarHBondContact O-N 3.33Å; E409-K412 VanDerWaalsContact CD-CD 3.48Å; E409-K412 WeakPolarHBondContact OE1-CD 3.17Å; E409-K412 IonicContact OE1-NZ 2.78Å; E409-K412 PolarHBondContact OE1-NZ 2.9Å; E409-K412 WeakPolarHBondContact OE2-CD 3.4Å; E409-L413 VanDerWaalsContact O-CB 3.29Å; E409-L413 WeakPolarHBondContact O-CB 3.41Å; E409-L413 PolarHBondContact O-N 3.18Å; E409-S607 WeakPolarHBondContact OE2-CA 3.34Å; E409-S607 VanDerWaalsContact OE2-CB 3.23Å; E409-S607 WeakPolarHBondContact OE2-CB 3.33Å; E409-S607 PolarHBondContact OE2-OG 3.18Å; E409-R610 HydrophobicContact CG-CB 3.92Å; E409-R610 VanDerWaalsContact OE1-CD 3.27Å; E409-R610 WeakPolarHBondContact OE1-CD 3.35Å; E409-R610 IonicContact OE1-CZ 2.71Å; E409-R610 IonicContact OE1-NE 2.65Å; E409-R610 IonicContact OE1-NH1 3.65Å; E409-R610 PolarHBondContact OE1-NH1 3.17Å; E409-R610 WeakPolarHBondContact OE2-CD 3.26Å; E409-R610 IonicContact OE2-NH1 3.77Å; E409-L611 HydrophobicContact CB-CD1 4.41Å; E409-L611 HydrophobicContact CB-CD2 3.83Å; E409-L611 HydrophobicContact CB-CG 3.84Å; E409-I614 HydrophobicContact CG-CD1 4.29Å
410	L	94.6	Very high	91.4	Very high	74 Å²	74	60.3 Å²	60.3	39%	0.387	31%	0.313	S	S	.	.	H	α-helix	trans	-68.8	-37.7	167.3	-71.6	173.1	0	0	0	112.6	V406 H407 L413 N414 L611	V406-L410 HydrophobicContact CG1-CD1 3.8Å; V406-L410 HydrophobicContact CG1-CG 4.33Å; V406-L410 WeakPolarHBondContact O-CB 3.43Å; V406-L410 VanDerWaalsContact O-CG 3.3Å; V406-L410 WeakPolarHBondContact O-CG 2.72Å; V406-L410 PolarHBondContact O-N 2.87Å; H407-L410 PolarHBondContact O-N 3.35Å; L410-L413 PolarHBondContact O-N 3.33Å; L410-N414 WeakPolarHBondContact O-CB 2.99Å; L410-N414 VanDerWaalsContact O-CG 3.28Å; L410-N414 PolarHBondContact O-N 3.02Å; L410-N414 PolarHBondContact O-ND2 3.22Å; L410-L611 HydrophobicContact CD2-CD1 3.91Å; L410-L611 HydrophobicContact CG-CD1 4.38Å; L410-L611 HydrophobicContact CG-CD2 4.26Å
411	E	93.2	Very high	92.4	Very high	89 Å²	89	60.7 Å²	60.7	42%	0.416	31%	0.305	S	S	.	.	H	α-helix	trans	-63.8	-45.4	173.1	-174.3	172	-150.7	0	0	111	H407 E408 L413 N414 I415	H407-E411 PolarHBondContact O-N 2.78Å; E408-E411 PolarHBondContact O-N 2.67Å; E411-L413 VanDerWaalsContact C-N 3.34Å; E411-L413 PolarHBondContact O-N 3.43Å; E411-N414 PolarHBondContact O-N 2.93Å; E411-I415 HydrophobicContact CG-CD1 3.87Å; E411-I415 VanDerWaalsContact O-CG1 3.3Å; E411-I415 WeakPolarHBondContact O-CG1 3.39Å; E411-I415 PolarHBondContact O-N 2.94Å
412	K	95.2	Very high	93.4	Very high	69 Å²	69	61.5 Å²	61.5	30%	0.3	31%	0.31	S	S	.	.	H	α-helix	trans	-59.1	-42.3	174.3	-67.7	156.3	-164.2	151.9	0	111.8	E408 E409 I415 A416 S607	E408-K412 VanDerWaalsContact O-CD 3.27Å; E408-K412 WeakPolarHBondContact O-CD 3.23Å; E408-K412 VanDerWaalsContact O-CG 3.22Å; E408-K412 WeakPolarHBondContact O-CG 3.41Å; E408-K412 PolarHBondContact O-N 3.1Å; E408-K412 IonicContact OE2-NZ 2.63Å; E408-K412 PolarHBondContact OE2-NZ 3.45Å; E409-K412 VanDerWaalsContact CD-CD 3.48Å; E409-K412 WeakPolarHBondContact OE1-CD 3.17Å; E409-K412 IonicContact OE1-NZ 2.78Å; E409-K412 PolarHBondContact OE1-NZ 2.9Å; E409-K412 WeakPolarHBondContact OE2-CD 3.4Å; K412-I415 PolarHBondContact O-N 3Å; K412-A416 VanDerWaalsContact O-CB 3.3Å; K412-A416 WeakPolarHBondContact O-CB 3.47Å; K412-A416 PolarHBondContact O-N 3.1Å; K412-S607 WeakPolarHBondContact CB-OG 3.21Å
413	L	95.5	Very high	94.2	Very high	24 Å²	24	61.5 Å²	61.5	13%	0.126	31%	0.31	C	S	.	.	H	α-helix	trans	-63.2	-45.2	176.4	-173.2	156.9	0	0	0	112.2	E409 L410 E411 A416 T417 Y604 L608 L611	E409-L413 VanDerWaalsContact O-CB 3.29Å; E409-L413 WeakPolarHBondContact O-CB 3.41Å; E409-L413 PolarHBondContact O-N 3.18Å; L410-L413 PolarHBondContact O-N 3.33Å; E411-L413 VanDerWaalsContact C-N 3.34Å; E411-L413 PolarHBondContact O-N 3.43Å; L413-A416 PolarHBondContact O-N 3.05Å; L413-T417 WeakPolarHBondContact O-CB 3.39Å; L413-T417 PolarHBondContact O-N 3.49Å; L413-T417 PolarHBondContact O-OG1 3.49Å; L413-Y604 HydrophobicContact CD1-CE2 4.29Å; L413-Y604 HydrophobicContact CD2-CD2 4.46Å; L413-Y604 HydrophobicContact CD2-CE2 3.75Å; L413-Y604 HydrophobicContact CG-CD2 3.98Å; L413-Y604 HydrophobicContact CG-CE2 3.62Å; L413-L608 HydrophobicContact CD1-CD2 3.61Å; L413-L608 HydrophobicContact CD1-CG 4.11Å; L413-L611 HydrophobicContact CD1-CD1 4.07Å
414	N	94.8	Very high	94.9	Very high	99 Å²	99	59.4 Å²	59.4	53%	0.529	30%	0.299	S	S	.	.	H	α-helix	trans	-62.8	-47	176.8	-72.4	-37.9	0	0	0	111.5	L410 E411 A416 T417 D418	L410-N414 WeakPolarHBondContact O-CB 2.99Å; L410-N414 VanDerWaalsContact O-CG 3.28Å; L410-N414 PolarHBondContact O-N 3.02Å; L410-N414 PolarHBondContact O-ND2 3.22Å; E411-N414 PolarHBondContact O-N 2.93Å; N414-A416 PolarHBondContact O-N 3.31Å; N414-T417 WeakPolarHBondContact O-CB 3.5Å; N414-T417 PolarHBondContact O-N 2.96Å; N414-D418 PolarHBondContact O-N 3.46Å
415	I	94.5	Very high	95.3	Very high	96 Å²	96	61.4 Å²	61.4	49%	0.492	31%	0.309	S	S	.	.	H	α-helix	trans	-60.2	-44.4	176.2	-68.1	167.1	0	0	0	111	E411 K412 T417 D418 V419	E411-I415 HydrophobicContact CG-CD1 3.87Å; E411-I415 VanDerWaalsContact O-CG1 3.3Å; E411-I415 WeakPolarHBondContact O-CG1 3.39Å; E411-I415 PolarHBondContact O-N 2.94Å; K412-I415 PolarHBondContact O-N 3Å; I415-T417 VanDerWaalsContact C-N 3.31Å; I415-T417 PolarHBondContact O-N 2.9Å; I415-D418 PolarHBondContact O-N 3.02Å; I415-V419 HydrophobicContact CG2-CG2 4.48Å; I415-V419 WeakPolarHBondContact O-CB 3.45Å; I415-V419 VanDerWaalsContact O-CG2 3.28Å; I415-V419 WeakPolarHBondContact O-CG2 3.41Å; I415-V419 PolarHBondContact O-N 3.2Å
416	A	95.3	Very high	95.6	Very high	7 Å²	7	62 Å²	62	6%	0.058	32%	0.315	C	S	.	.	H	α-helix	trans	-62.5	-39	177	0	0	0	0	0	111.7	K412 L413 N414 V419 I420 Y604	K412-A416 VanDerWaalsContact O-CB 3.3Å; K412-A416 WeakPolarHBondContact O-CB 3.47Å; K412-A416 PolarHBondContact O-N 3.1Å; L413-A416 PolarHBondContact O-N 3.05Å; N414-A416 PolarHBondContact O-N 3.31Å; A416-V419 PolarHBondContact O-N 2.98Å; A416-I420 WeakPolarHBondContact O-CB 3.49Å; A416-I420 WeakPolarHBondContact O-CD1 3.36Å; A416-I420 WeakPolarHBondContact O-CG1 3.41Å; A416-I420 PolarHBondContact O-N 3.09Å; A416-Y604 HydrophobicContact CB-CD2 4.28Å
417	T	96.9	Very high	95.9	Very high	45 Å²	45	61.5 Å²	61.5	28%	0.276	31%	0.311	S	S	.	.	H	α-helix	trans	-63.5	-49.8	177.4	-55.5	0	0	0	0	111.6	L413 N414 I415 V419 I420 N421 Y604	L413-T417 WeakPolarHBondContact O-CB 3.39Å; L413-T417 PolarHBondContact O-N 3.49Å; L413-T417 PolarHBondContact O-OG1 3.49Å; N414-T417 WeakPolarHBondContact O-CB 3.5Å; N414-T417 PolarHBondContact O-N 2.96Å; I415-T417 VanDerWaalsContact C-N 3.31Å; I415-T417 PolarHBondContact O-N 2.9Å; T417-V419 VanDerWaalsContact C-N 3.31Å; T417-V419 PolarHBondContact O-N 2.69Å; T417-I420 PolarHBondContact O-N 3.07Å; T417-N421 WeakPolarHBondContact O-CB 3.35Å; T417-N421 VanDerWaalsContact O-CG 3.22Å; T417-N421 PolarHBondContact O-N 3.06Å; T417-N421 PolarHBondContact O-ND2 3.32Å; T417-Y604 WeakPolarHBondContact OG1-CE2 3.26Å
418	D	96.2	Very high	96.2	Very high	117 Å²	117	61.7 Å²	61.7	63%	0.626	32%	0.315	S	S	*	.	H	α-helix	trans	-59.6	-40.4	176.6	-84.1	-11.2	0	0	0	112.2	N414 I415 K422	N414-D418 PolarHBondContact O-N 3.46Å; I415-D418 PolarHBondContact O-N 3.02Å; D418-K422 WeakPolarHBondContact O-CB 3.48Å; D418-K422 PolarHBondContact O-N 3.35Å
419	V	96.8	Very high	96.5	Very high	47 Å²	47	65.5 Å²	65.5	29%	0.285	33%	0.332	S	S	.	.	H	α-helix	trans	-71.6	-40.5	178.6	175.2	0	0	0	0	111.8	I415 A416 T417 K422 L423 K600	I415-V419 HydrophobicContact CG2-CG2 4.48Å; I415-V419 WeakPolarHBondContact O-CB 3.45Å; I415-V419 VanDerWaalsContact O-CG2 3.28Å; I415-V419 WeakPolarHBondContact O-CG2 3.41Å; I415-V419 PolarHBondContact O-N 3.2Å; A416-V419 PolarHBondContact O-N 2.98Å; T417-V419 VanDerWaalsContact C-N 3.31Å; T417-V419 PolarHBondContact O-N 2.69Å; V419-K422 PolarHBondContact O-N 3.49Å; V419-L423 HydrophobicContact CG1-CD1 3.72Å; V419-L423 HydrophobicContact CG1-CG 4.16Å; V419-L423 WeakPolarHBondContact O-CB 3.32Å; V419-L423 VanDerWaalsContact O-CG 3.27Å; V419-L423 WeakPolarHBondContact O-CG 3.22Å; V419-L423 PolarHBondContact O-N 2.93Å; V419-K600 HydrophobicContact CB-CD 4.39Å; V419-K600 HydrophobicContact CG1-CD 3.79Å; V419-K600 HydrophobicContact CG1-CG 3.84Å
420	I	97.7	Very high	96.7	Very high	15 Å²	15	65 Å²	65	8%	0.077	33%	0.331	C	S	.	.	H	α-helix	trans	-58.7	-53.2	173.8	-71.3	160.7	0	0	0	109.7	A416 T417 K422 L423 E424 K600 K601 Y604	A416-I420 WeakPolarHBondContact O-CB 3.49Å; A416-I420 WeakPolarHBondContact O-CD1 3.36Å; A416-I420 WeakPolarHBondContact O-CG1 3.41Å; A416-I420 PolarHBondContact O-N 3.09Å; T417-I420 PolarHBondContact O-N 3.07Å; I420-K422 PolarHBondContact O-N 3.25Å; I420-L423 PolarHBondContact O-N 2.9Å; I420-L423 VanDerWaalsContact O-N 3.14Å; I420-E424 HydrophobicContact CG2-CG 4.24Å; I420-E424 WeakPolarHBondContact O-CB 3.13Å; I420-E424 WeakPolarHBondContact O-CG 3.2Å; I420-E424 PolarHBondContact O-N 3.12Å; I420-K600 HydrophobicContact CD1-CB 4.46Å; I420-K600 HydrophobicContact CG1-CB 3.76Å; I420-K601 HydrophobicContact CD1-CG 3.77Å; I420-K601 HydrophobicContact CG1-CG 4.13Å; I420-Y604 HydrophobicContact CD1-CG 4.39Å
421	N	97.3	Very high	96.9	Very high	81 Å²	81	64.2 Å²	64.2	43%	0.433	33%	0.325	S	S	.	.	H	α-helix	trans	-55.2	-41.1	178.2	-69.4	-28.5	0	0	0	111.7	T417 L425	T417-N421 WeakPolarHBondContact O-CB 3.35Å; T417-N421 VanDerWaalsContact O-CG 3.22Å; T417-N421 PolarHBondContact O-N 3.06Å; T417-N421 PolarHBondContact O-ND2 3.32Å; N421-L425 WeakPolarHBondContact O-CG 3.33Å; N421-L425 PolarHBondContact O-N 2.64Å
422	K	98	Very high	97.1	Very high	108 Å²	108	62.2 Å²	62.2	47%	0.47	32%	0.324	S	S	.	.	H	α-helix	trans	-69.7	-40.8	179.2	176.8	56.8	-160.4	146.2	0	112.9	D418 V419 I420 Q426	D418-K422 WeakPolarHBondContact O-CB 3.48Å; D418-K422 PolarHBondContact O-N 3.35Å; V419-K422 PolarHBondContact O-N 3.49Å; I420-K422 PolarHBondContact O-N 3.25Å; K422-Q426 WeakPolarHBondContact O-CG 3.46Å; K422-Q426 PolarHBondContact O-N 3.4Å
423	L	98.3	Very high	97.2	Very high	8 Å²	8	62.6 Å²	62.6	4%	0.042	33%	0.328	C	S	.	.	H	α-helix	trans	-71.7	-37.6	179.4	-70.8	170.1	0	0	0	112	V419 I420 Q426 L427 L593 E596 I597 K600	V419-L423 HydrophobicContact CG1-CD1 3.72Å; V419-L423 HydrophobicContact CG1-CG 4.16Å; V419-L423 WeakPolarHBondContact O-CB 3.32Å; V419-L423 VanDerWaalsContact O-CG 3.27Å; V419-L423 WeakPolarHBondContact O-CG 3.22Å; V419-L423 PolarHBondContact O-N 2.93Å; I420-L423 PolarHBondContact O-N 2.9Å; I420-L423 VanDerWaalsContact O-N 3.14Å; L423-Q426 CarbonylContact O-C 3.58Å; L423-Q426 WeakPolarHBondContact O-CB 3.01Å; L423-Q426 PolarHBondContact O-N 3.29Å; L423-Q426 VanDerWaalsContact O-N 3.1Å; L423-L427 PolarHBondContact O-N 3.33Å; L423-L593 HydrophobicContact CD2-CD2 3.93Å; L423-E596 HydrophobicContact CD1-CB 4.07Å; L423-E596 HydrophobicContact CD1-CG 3.7Å; L423-E596 HydrophobicContact CD2-CG 4.31Å; L423-I597 HydrophobicContact CB-CD1 4.12Å; L423-I597 HydrophobicContact CB-CG1 3.51Å; L423-I597 HydrophobicContact CD1-CG1 4.27Å; L423-K600 HydrophobicContact CD1-CG 4.02Å
424	E	98.1	Very high	97.3	Very high	63 Å²	63	64 Å²	64	29%	0.294	33%	0.333	S	S	.	.	H	α-helix	trans	-63.3	-43.8	176.7	-72.8	-178.4	154.1	0	0	111.5	I420 Q426 L427 D428 I597 K601	I420-E424 HydrophobicContact CG2-CG 4.24Å; I420-E424 WeakPolarHBondContact O-CB 3.13Å; I420-E424 WeakPolarHBondContact O-CG 3.2Å; I420-E424 PolarHBondContact O-N 3.12Å; E424-Q426 PolarHBondContact O-N 3.45Å; E424-L427 WeakPolarHBondContact O-CB 3.41Å; E424-L427 PolarHBondContact O-N 3.39Å; E424-L427 VanDerWaalsContact O-N 3.08Å; E424-D428 PolarHBondContact O-N 3.48Å; E424-I597 HydrophobicContact CG-CD1 3.97Å; E424-I597 HydrophobicContact CG-CG1 4.29Å; E424-I597 HydrophobicContact CG-CG2 4.26Å; E424-K601 WeakPolarHBondContact OE1-CE 3.35Å; E424-K601 IonicContact OE1-NZ 3.23Å; E424-K601 PolarHBondContact OE1-NZ 3.46Å
425	L	98	Very high	97.5	Very high	116 Å²	116	65.4 Å²	65.4	61%	0.607	33%	0.331	S	S	*	.	H	α-helix	trans	-59.2	-33.9	171.2	-71.9	170.5	0	0	0	113.1	N421 E429	N421-L425 WeakPolarHBondContact O-CG 3.33Å; N421-L425 PolarHBondContact O-N 2.64Å; L425-E429 WeakPolarHBondContact O-CB 3.29Å; L425-E429 PolarHBondContact O-N 2.99Å; L425-E429 VanDerWaalsContact O-N 3.16Å
426	Q	98.2	Very high	97.6	Very high	69 Å²	69	65.8 Å²	65.8	32%	0.322	33%	0.334	S	S	.	.	H	α-helix	trans	-76.2	-30.3	175.2	-70.9	-179.5	-85.3	0	0	112.8	K422 L423 E424 A430 L593	K422-Q426 WeakPolarHBondContact O-CG 3.46Å; K422-Q426 PolarHBondContact O-N 3.4Å; L423-Q426 CarbonylContact O-C 3.58Å; L423-Q426 WeakPolarHBondContact O-CB 3.01Å; L423-Q426 PolarHBondContact O-N 3.29Å; L423-Q426 VanDerWaalsContact O-N 3.1Å; E424-Q426 PolarHBondContact O-N 3.45Å; Q426-A430 WeakPolarHBondContact O-CB 3.37Å; Q426-A430 PolarHBondContact O-N 3Å; Q426-L593 HydrophobicContact CB-CD1 4.24Å; Q426-L593 HydrophobicContact CB-CD2 4.11Å
427	L	98.5	Very high	97.6	Very high	25 Å²	25	66.5 Å²	66.5	13%	0.131	34%	0.338	C	S	.	.	H	α-helix	trans	-67.5	-45.3	173.1	178.4	60.7	0	0	0	110.4	L423 E424 E429 A430 Q431 I590 L593 E594 I597	L423-L427 PolarHBondContact O-N 3.33Å; E424-L427 WeakPolarHBondContact O-CB 3.41Å; E424-L427 PolarHBondContact O-N 3.39Å; E424-L427 VanDerWaalsContact O-N 3.08Å; L427-E429 PolarHBondContact O-N 3.35Å; L427-A430 PolarHBondContact O-N 3.18Å; L427-Q431 HydrophobicContact CD1-CG 4.1Å; L427-Q431 HydrophobicContact CG-CG 4.44Å; L427-Q431 WeakPolarHBondContact O-CB 3.47Å; L427-Q431 VanDerWaalsContact O-CG 3.32Å; L427-Q431 WeakPolarHBondContact O-CG 3.31Å; L427-Q431 PolarHBondContact O-N 3.42Å; L427-I590 HydrophobicContact CD1-CB 4.45Å; L427-I590 HydrophobicContact CD1-CG2 3.92Å; L427-L593 HydrophobicContact CB-CB 4.43Å; L427-L593 HydrophobicContact CD1-CB 4.26Å; L427-E594 HydrophobicContact CD1-CG 3.78Å; L427-E594 HydrophobicContact CD2-CG 3.9Å; L427-I597 HydrophobicContact CB-CD1 3.89Å; L427-I597 HydrophobicContact CD2-CD1 3.69Å; L427-I597 HydrophobicContact CG-CD1 4.4Å
428	D	98.4	Very high	97.5	Very high	94 Å²	94	68.8 Å²	68.8	50%	0.503	35%	0.345	S	S	.	.	H	α-helix	trans	-60.9	-44.6	175.9	-79.1	-24	0	0	0	112.1	E424 Q431 A432	E424-D428 PolarHBondContact O-N 3.48Å; D428-Q431 PolarHBondContact O-N 2.82Å; D428-A432 VanDerWaalsContact O-CB 3.3Å; D428-A432 WeakPolarHBondContact O-CB 3.26Å; D428-A432 PolarHBondContact O-N 3.15Å
429	E	97.9	Very high	97.6	Very high	117 Å²	117	66.5 Å²	66.5	55%	0.547	34%	0.339	S	S	.	.	H	α-helix	trans	-59.3	-48.4	172.8	-178.1	175.9	-155.9	0	0	111.3	L425 L427 Q431 A432 I433	L425-E429 WeakPolarHBondContact O-CB 3.29Å; L425-E429 PolarHBondContact O-N 2.99Å; L425-E429 VanDerWaalsContact O-N 3.16Å; L427-E429 PolarHBondContact O-N 3.35Å; E429-Q431 PolarHBondContact O-N 3.09Å; E429-A432 PolarHBondContact O-N 2.92Å; E429-I433 HydrophobicContact CG-CD1 4.07Å; E429-I433 WeakPolarHBondContact O-CG1 3.3Å; E429-I433 PolarHBondContact O-N 3Å
430	A	97.9	Very high	97.5	Very high	3 Å²	3	65.6 Å²	65.6	3%	0.025	33%	0.334	C	S	.	.	H	α-helix	trans	-64.7	-39.1	-180	0	0	0	0	0	112.7	Q426 L427 F434 Q586 L589 I590 L593	Q426-A430 WeakPolarHBondContact O-CB 3.37Å; Q426-A430 PolarHBondContact O-N 3Å; L427-A430 PolarHBondContact O-N 3.18Å; A430-F434 WeakPolarHBondContact O-CB 3.32Å; A430-F434 PolarHBondContact O-N 2.93Å; A430-Q586 VanDerWaalsContact CA-NE2 3.35Å; A430-Q586 PolarHBondContact O-NE2 2.86Å; A430-L589 HydrophobicContact CB-CD2 4.12Å; A430-L589 HydrophobicContact CB-CG 4.31Å; A430-I590 HydrophobicContact CB-CG1 3.89Å; A430-L593 HydrophobicContact CB-CD1 3.88Å
431	Q	98.2	Very high	97.3	Very high	57 Å²	57	66.7 Å²	66.7	27%	0.266	34%	0.337	S	S	.	.	H	α-helix	trans	-69.9	-36	174.3	-71.6	-173.2	12.5	0	0	112.3	L427 D428 E429 F434 R435 I590	L427-Q431 HydrophobicContact CD1-CG 4.1Å; L427-Q431 HydrophobicContact CG-CG 4.44Å; L427-Q431 WeakPolarHBondContact O-CB 3.47Å; L427-Q431 VanDerWaalsContact O-CG 3.32Å; L427-Q431 WeakPolarHBondContact O-CG 3.31Å; L427-Q431 PolarHBondContact O-N 3.42Å; D428-Q431 PolarHBondContact O-N 2.82Å; E429-Q431 PolarHBondContact O-N 3.09Å; Q431-F434 PolarHBondContact O-N 3.18Å; Q431-R435 WeakPolarHBondContact O-CG 3.45Å; Q431-R435 PolarHBondContact O-N 3.1Å; Q431-R435 PolarHBondContact O-NE 3.33Å; Q431-I590 HydrophobicContact CG-CD1 4.11Å; Q431-I590 HydrophobicContact CG-CG1 4.31Å
432	A	98	Very high	97.3	Very high	47 Å²	47	67 Å²	67	39%	0.388	34%	0.343	S	S	.	.	H	α-helix	trans	-63.1	-46.2	174.5	0	0	0	0	0	111.2	D428 E429 F434 R435 D436	D428-A432 VanDerWaalsContact O-CB 3.3Å; D428-A432 WeakPolarHBondContact O-CB 3.26Å; D428-A432 PolarHBondContact O-N 3.15Å; E429-A432 PolarHBondContact O-N 2.92Å; A432-F434 VanDerWaalsContact C-N 3.34Å; A432-F434 PolarHBondContact O-N 3.02Å; A432-R435 PolarHBondContact O-N 3.26Å; A432-D436 PolarHBondContact O-N 2.87Å
433	I	96.9	Very high	97.2	Very high	76 Å²	76	68.9 Å²	68.9	39%	0.39	35%	0.353	S	S	.	.	H	α-helix	trans	-60	-42.9	173.9	-67.4	164.8	0	0	0	110.9	E429 R435 D436 V437 Q586	E429-I433 HydrophobicContact CG-CD1 4.07Å; E429-I433 WeakPolarHBondContact O-CG1 3.3Å; E429-I433 PolarHBondContact O-N 3Å; I433-R435 PolarHBondContact O-N 3.24Å; I433-D436 PolarHBondContact O-N 2.75Å; I433-V437 HydrophobicContact CG2-CG2 4.2Å; I433-V437 WeakPolarHBondContact O-CB 3.45Å; I433-V437 VanDerWaalsContact O-CG2 3.27Å; I433-V437 WeakPolarHBondContact O-CG2 3.42Å; I433-V437 PolarHBondContact O-N 3.34Å; I433-Q586 HydrophobicContact CG2-CG 4.34Å
434	F	98	Very high	97.1	Very high	53 Å²	53	74.5 Å²	74.5	23%	0.232	37%	0.374	C	S	.	.	H	α-helix	trans	-59.7	-45.3	176.7	-176.4	-90	0	0	0	112.2	A430 Q431 A432 Q438 L583 Q586 K587 I590	A430-F434 WeakPolarHBondContact O-CB 3.32Å; A430-F434 PolarHBondContact O-N 2.93Å; Q431-F434 PolarHBondContact O-N 3.18Å; A432-F434 VanDerWaalsContact C-N 3.34Å; A432-F434 PolarHBondContact O-N 3.02Å; F434-Q438 VanDerWaalsContact CE1-OE1 3.3Å; F434-Q438 WeakPolarHBondContact O-CB 3.35Å; F434-Q438 PolarHBondContact O-N 3.46Å; F434-L583 HydrophobicContact CD2-CD2 4.14Å; F434-L583 HydrophobicContact CE2-CD2 3.91Å; F434-L583 HydrophobicContact CZ-CD2 4.38Å; F434-Q586 HydrophobicContact CB-CG 3.85Å; F434-Q586 HydrophobicContact CD2-CB 4.13Å; F434-Q586 HydrophobicContact CD2-CG 4.05Å; F434-Q586 HydrophobicContact CG-CG 4.47Å; F434-K587 HydrophobicContact CE2-CB 4.25Å; F434-I590 HydrophobicContact CB-CD1 3.72Å; F434-I590 HydrophobicContact CD2-CD1 4.17Å; F434-I590 HydrophobicContact CG-CD1 4Å
435	R	97.8	Very high	96.8	Very high	130 Å²	130	73.2 Å²	73.2	49%	0.491	37%	0.369	S	S	.	.	H	α-helix	trans	-63.6	-43.8	177.4	-71.3	-179.4	-68.1	-106.4	2	112.2	Q431 A432 I433 S439	Q431-R435 WeakPolarHBondContact O-CG 3.45Å; Q431-R435 PolarHBondContact O-N 3.1Å; Q431-R435 PolarHBondContact O-NE 3.33Å; A432-R435 PolarHBondContact O-N 3.26Å; I433-R435 PolarHBondContact O-N 3.24Å; R435-S439 WeakPolarHBondContact O-CB 3.36Å; R435-S439 PolarHBondContact O-N 2.73Å; R435-S439 PolarHBondContact O-OG 2.77Å
436	D	96.9	Very high	96.7	Very high	103 Å²	103	70 Å²	70	55%	0.551	36%	0.356	S	S	*	.	H	α-helix	trans	-61.2	-55.2	176.1	177.3	60	0	0	0	111.5	A432 I433 Q438 S439 S440	A432-D436 PolarHBondContact O-N 2.87Å; I433-D436 PolarHBondContact O-N 2.75Å; D436-Q438 VanDerWaalsContact C-N 3.33Å; D436-Q438 PolarHBondContact O-N 2.76Å; D436-S439 PolarHBondContact O-N 2.83Å; D436-S439 VanDerWaalsContact O-N 3.08Å; D436-S439 PolarHBondContact O-OG 2.9Å; D436-S440 VanDerWaalsContact O-CB 3.31Å; D436-S440 WeakPolarHBondContact O-CB 3.43Å; D436-S440 PolarHBondContact O-N 3.28Å
437	V	94.8	Very high	96.6	Very high	22 Å²	22	71.7 Å²	71.7	13%	0.133	36%	0.364	C	S	.	.	H	α-helix	trans	-55.5	-47.5	178.8	173.7	0	0	0	0	110.7	I433 S439 W441 L583	I433-V437 HydrophobicContact CG2-CG2 4.2Å; I433-V437 WeakPolarHBondContact O-CB 3.45Å; I433-V437 VanDerWaalsContact O-CG2 3.27Å; I433-V437 WeakPolarHBondContact O-CG2 3.42Å; I433-V437 PolarHBondContact O-N 3.34Å; V437-S439 PolarHBondContact O-N 2.74Å; V437-W441 HydrophobicContact CG1-CD2 3.65Å; V437-W441 HydrophobicContact CG1-CE3 3.5Å; V437-W441 HydrophobicContact CG1-CG 4.29Å; V437-W441 HydrophobicContact CG1-CH2 4.23Å; V437-W441 HydrophobicContact CG1-CZ2 4.28Å; V437-W441 HydrophobicContact CG1-CZ3 3.76Å; V437-W441 WeakPolarHBondContact O-CB 3.43Å; V437-W441 PolarHBondContact O-N 3.34Å; V437-L583 HydrophobicContact CB-CD2 4.32Å; V437-L583 HydrophobicContact CG1-CD2 3.76Å; V437-L583 HydrophobicContact CG1-CG 4.21Å
438	Q	96.5	Very high	96.3	Very high	93 Å²	93	72.4 Å²	72.4	44%	0.435	37%	0.367	S	S	.	.	H	α-helix	trans	-59.1	-43.7	177.4	-175.7	-178.4	-3.7	0	0	112.2	F434 D436 T442 L583	F434-Q438 VanDerWaalsContact CE1-OE1 3.3Å; F434-Q438 WeakPolarHBondContact O-CB 3.35Å; F434-Q438 PolarHBondContact O-N 3.46Å; D436-Q438 VanDerWaalsContact C-N 3.33Å; D436-Q438 PolarHBondContact O-N 2.76Å; Q438-T442 VanDerWaalsContact O-CB 3.27Å; Q438-T442 WeakPolarHBondContact O-CB 3.49Å; Q438-T442 PolarHBondContact O-N 3.21Å; Q438-T442 PolarHBondContact O-OG1 3.02Å; Q438-L583 HydrophobicContact CB-CD2 4.21Å
439	S	96.8	Very high	96.1	Very high	70 Å²	70	71.4 Å²	71.4	49%	0.49	36%	0.362	S	S	.	.	H	α-helix	trans	-68.3	-50	-179.2	76.9	0	0	0	0	112.1	R435 D436 V437 W441 T442 Q443	R435-S439 WeakPolarHBondContact O-CB 3.36Å; R435-S439 PolarHBondContact O-N 2.73Å; R435-S439 PolarHBondContact O-OG 2.77Å; D436-S439 PolarHBondContact O-N 2.83Å; D436-S439 VanDerWaalsContact O-N 3.08Å; D436-S439 PolarHBondContact O-OG 2.9Å; V437-S439 PolarHBondContact O-N 2.74Å; S439-W441 PolarHBondContact O-N 2.71Å; S439-T442 PolarHBondContact O-N 3.16Å; S439-Q443 PolarHBondContact O-N 3.24Å
440	S	94.8	Very high	96	Very high	28 Å²	28	74.1 Å²	74.1	20%	0.196	37%	0.372	C	S	.	.	H	α-helix	trans	-55.2	-41.1	176.4	179.8	0	0	0	0	111.3	D436 Q443 R444	D436-S440 VanDerWaalsContact O-CB 3.31Å; D436-S440 WeakPolarHBondContact O-CB 3.43Å; D436-S440 PolarHBondContact O-N 3.28Å; S440-Q443 PolarHBondContact O-N 2.99Å; S440-R444 VanDerWaalsContact O-CG 3.27Å; S440-R444 WeakPolarHBondContact O-CG 3.46Å; S440-R444 PolarHBondContact O-N 3.05Å
441	W	94.6	Very high	95.8	Very high	37 Å²	37	82.8 Å²	82.8	14%	0.14	40%	0.404	C	S	.	.	H	α-helix	trans	-85.6	-30.7	-173.8	-67.9	9.8	0	0	0	112.5	V437 S439 Q443 R444 L445 F579 V582 L583	V437-W441 HydrophobicContact CG1-CD2 3.65Å; V437-W441 HydrophobicContact CG1-CE3 3.5Å; V437-W441 HydrophobicContact CG1-CG 4.29Å; V437-W441 HydrophobicContact CG1-CH2 4.23Å; V437-W441 HydrophobicContact CG1-CZ2 4.28Å; V437-W441 HydrophobicContact CG1-CZ3 3.76Å; V437-W441 WeakPolarHBondContact O-CB 3.43Å; V437-W441 PolarHBondContact O-N 3.34Å; S439-W441 PolarHBondContact O-N 2.71Å; W441-Q443 VanDerWaalsContact C-N 3.32Å; W441-R444 PolarHBondContact O-N 2.81Å; W441-L445 WeakPolarHBondContact O-CB 3.43Å; W441-L445 WeakPolarHBondContact O-CG 3.27Å; W441-L445 PolarHBondContact O-N 3.34Å; W441-F579 HydrophobicContact CB-CD2 3.72Å; W441-F579 HydrophobicContact CB-CE2 3.97Å; W441-F579 HydrophobicContact CB-CG 4.17Å; W441-F579 HydrophobicContact CD2-CB 4.18Å; W441-F579 AromaticContact CD2-CD1 3.55Å; W441-F579 HydrophobicContact CD2-CD1 3.55Å; W441-F579 HydrophobicContact CD2-CD2 4.08Å; W441-F579 AromaticContact CD2-CE1 3.93Å; W441-F579 HydrophobicContact CD2-CE1 3.93Å; W441-F579 HydrophobicContact CD2-CE2 4.41Å; W441-F579 AromaticContact CD2-CG 3.66Å; W441-F579 HydrophobicContact CD2-CG 3.66Å; W441-F579 HydrophobicContact CD2-CZ 4.35Å; W441-F579 AromaticContact CE2-CD1 3.74Å; W441-F579 AromaticContact CE2-CE1 3.78Å; W441-F579 VanDerWaalsContact CE3-CA 3.49Å; W441-F579 HydrophobicContact CE3-CB 3.53Å; W441-F579 AromaticContact CE3-CD1 3.6Å; W441-F579 HydrophobicContact CE3-CD1 3.6Å; W441-F579 HydrophobicContact CE3-CD2 4.28Å; W441-F579 HydrophobicContact CE3-CE1 4.41Å; W441-F579 AromaticContact CE3-CG 3.53Å; W441-F579 HydrophobicContact CE3-CG 3.53Å; W441-F579 HydrophobicContact CG-CD1 4.16Å; W441-F579 AromaticContact CG-CD2 3.93Å; W441-F579 HydrophobicContact CG-CD2 3.93Å; W441-F579 HydrophobicContact CG-CE1 4.24Å; W441-F579 HydrophobicContact CG-CE2 4.02Å; W441-F579 HydrophobicContact CG-CG 4.03Å; W441-F579 HydrophobicContact CG-CZ 4.18Å; W441-F579 AromaticContact CH2-CD1 3.8Å; W441-F579 HydrophobicContact CH2-CD1 3.8Å; W441-F579 HydrophobicContact CH2-CE1 4.41Å; W441-F579 AromaticContact CZ2-CD1 3.84Å; W441-F579 HydrophobicContact CZ2-CD1 3.84Å; W441-F579 HydrophobicContact CZ2-CE1 4.01Å; W441-F579 HydrophobicContact CZ3-CB 3.9Å; W441-F579 AromaticContact CZ3-CD1 3.76Å; W441-F579 HydrophobicContact CZ3-CD1 3.76Å; W441-F579 HydrophobicContact CZ3-CG 4.04Å; W441-F579 WeakPolarHBondContact CZ3-O 3.33Å; W441-V582 HydrophobicContact CH2-CB 3.52Å; W441-V582 HydrophobicContact CH2-CG1 4.07Å; W441-V582 HydrophobicContact CH2-CG2 3.74Å; W441-V582 HydrophobicContact CZ3-CB 3.65Å; W441-V582 HydrophobicContact CZ3-CG1 4.35Å; W441-V582 HydrophobicContact CZ3-CG2 4.27Å; W441-L583 HydrophobicContact CE3-CD1 4.5Å; W441-L583 HydrophobicContact CE3-CG 4.26Å
442	T	96	Very high	95.5	Very high	89 Å²	89	82 Å²	82	55%	0.546	40%	0.401	S	S	.	.	H	α-helix	trans	-59.3	-43.7	164.2	-59.4	0	0	0	0	110.9	Q438 S439 S446	Q438-T442 VanDerWaalsContact O-CB 3.27Å; Q438-T442 WeakPolarHBondContact O-CB 3.49Å; Q438-T442 PolarHBondContact O-N 3.21Å; Q438-T442 PolarHBondContact O-OG1 3.02Å; S439-T442 PolarHBondContact O-N 3.16Å; T442-S446 WeakPolarHBondContact O-CB 3.32Å; T442-S446 PolarHBondContact O-N 3.3Å
443	Q	96.4	Very high	95.1	Very high	146 Å²	146	81 Å²	81	68%	0.682	40%	0.395	S	S	*	.	H	α-helix	trans	-63.1	-46.7	176.2	-173.2	-176	7.6	0	0	112	S439 S440 W441 S446 Q447	S439-Q443 PolarHBondContact O-N 3.24Å; S440-Q443 PolarHBondContact O-N 2.99Å; W441-Q443 VanDerWaalsContact C-N 3.32Å; Q443-S446 PolarHBondContact O-N 2.84Å; Q443-Q447 PolarHBondContact O-N 3.37Å
444	R	95.4	Very high	94.9	Very high	126 Å²	126	80.7 Å²	80.7	48%	0.475	40%	0.4	S	S	.	.	H	α-helix	trans	-60.5	-50.3	177.1	-72.1	170.2	-172.6	-161.5	-3.8	112	S440 W441 S446 Q447 M448 F579	S440-R444 VanDerWaalsContact O-CG 3.27Å; S440-R444 WeakPolarHBondContact O-CG 3.46Å; S440-R444 PolarHBondContact O-N 3.05Å; W441-R444 PolarHBondContact O-N 2.81Å; R444-S446 VanDerWaalsContact C-N 3.33Å; R444-S446 PolarHBondContact O-N 2.99Å; R444-Q447 WeakPolarHBondContact O-CB 3.47Å; R444-Q447 PolarHBondContact O-N 3.4Å; R444-M448 WeakPolarHBondContact O-CG 3.4Å; R444-M448 PolarHBondContact O-N 2.95Å; R444-F579 HydrophobicContact CB-CE2 3.89Å; R444-F579 HydrophobicContact CB-CZ 4.18Å
445	L	93.8	Very high	94.7	Very high	36 Å²	36	79.3 Å²	79.3	19%	0.188	40%	0.397	C	S	.	.	H	α-helix	trans	-63.9	-36.7	178.1	-68.8	176.3	0	0	0	112	W441 M448 N449 Y572 R576 F579	W441-L445 WeakPolarHBondContact O-CB 3.43Å; W441-L445 WeakPolarHBondContact O-CG 3.27Å; W441-L445 PolarHBondContact O-N 3.34Å; L445-M448 PolarHBondContact O-N 2.96Å; L445-N449 WeakPolarHBondContact O-CB 3.43Å; L445-N449 PolarHBondContact O-N 3.07Å; L445-Y572 HydrophobicContact CB-CE2 4.21Å; L445-Y572 HydrophobicContact CD2-CD2 3.95Å; L445-Y572 HydrophobicContact CD2-CE2 3.76Å; L445-R576 HydrophobicContact CD2-CB 4.49Å; L445-F579 HydrophobicContact CD1-CD2 4Å; L445-F579 HydrophobicContact CD2-CD2 3.94Å; L445-F579 HydrophobicContact CD2-CE2 4.09Å; L445-F579 HydrophobicContact CG-CD2 3.76Å; L445-F579 HydrophobicContact CG-CE2 3.98Å
446	S	94.5	Very high	94.6	Very high	50 Å²	50	73.2 Å²	73.2	35%	0.35	37%	0.374	S	S	.	.	H	α-helix	trans	-62.8	-41.7	172.9	-176.2	0	0	0	0	112.1	T442 Q443 R444 N449 K450	T442-S446 WeakPolarHBondContact O-CB 3.32Å; T442-S446 PolarHBondContact O-N 3.3Å; Q443-S446 PolarHBondContact O-N 2.84Å; R444-S446 VanDerWaalsContact C-N 3.33Å; R444-S446 PolarHBondContact O-N 2.99Å; S446-N449 PolarHBondContact O-N 3.36Å; S446-K450 VanDerWaalsContact O-CG 3.32Å; S446-K450 WeakPolarHBondContact O-CG 3.34Å; S446-K450 PolarHBondContact O-N 3.28Å
447	Q	95.7	Very high	94.5	Very high	103 Å²	103	72.3 Å²	72.3	48%	0.481	37%	0.369	S	S	.	.	H	α-helix	trans	-64.2	-40.7	175.3	-167	-171.3	56.9	0	0	112	Q443 R444 R451	Q443-Q447 PolarHBondContact O-N 3.37Å; R444-Q447 WeakPolarHBondContact O-CB 3.47Å; R444-Q447 PolarHBondContact O-N 3.4Å; Q447-R451 WeakPolarHBondContact O-CG 3.46Å; Q447-R451 PolarHBondContact O-N 3.03Å
448	M	93.9	Very high	94.5	Very high	41 Å²	41	77 Å²	77	20%	0.202	39%	0.387	C	S	.	.	H	α-helix	trans	-68.1	-40.2	175.4	-65.5	179.9	83.6	0	0	111.9	R444 L445 K450 R451 L452 P571 Y572 A575	R444-M448 WeakPolarHBondContact O-CG 3.4Å; R444-M448 PolarHBondContact O-N 2.95Å; L445-M448 PolarHBondContact O-N 2.96Å; M448-K450 VanDerWaalsContact C-N 3.35Å; M448-K450 PolarHBondContact O-N 2.84Å; M448-R451 PolarHBondContact O-N 3.45Å; M448-L452 PolarHBondContact O-N 2.82Å; M448-P571 HydrophobicContact CE-CB 4.15Å; M448-P571 WeakPolarHBondContact CE-O 3.44Å; M448-Y572 HydrophobicContact CB-CD2 3.99Å; M448-A575 HydrophobicContact CE-CB 4.43Å; M448-A575 HydrophobicContact SD-CB 4.19Å
449	N	94.1	Very high	94.5	Very high	72 Å²	72	72.5 Å²	72.5	39%	0.385	37%	0.367	S	S	.	.	H	α-helix	trans	-61	-42.9	176	-168.4	29.8	0	0	0	111.6	L445 S446 R451 L452 G453 I456	L445-N449 WeakPolarHBondContact O-CB 3.43Å; L445-N449 PolarHBondContact O-N 3.07Å; S446-N449 PolarHBondContact O-N 3.36Å; N449-R451 PolarHBondContact O-N 2.83Å; N449-L452 PolarHBondContact O-N 3.09Å; N449-G453 WeakPolarHBondContact O-CA 3.39Å; N449-G453 PolarHBondContact O-N 3.37Å; N449-I456 HydrophobicContact CB-CD1 4.3Å
450	K	94.4	Very high	94.4	Very high	174 Å²	174	73.7 Å²	73.7	76%	0.757	36%	0.36	S	S	*	.	H	α-helix	trans	-60.4	-26.2	173.8	-71.6	169.5	-175.8	179.5	0	113.8	S446 M448	S446-K450 VanDerWaalsContact O-CG 3.32Å; S446-K450 WeakPolarHBondContact O-CG 3.34Å; S446-K450 PolarHBondContact O-N 3.28Å; M448-K450 VanDerWaalsContact C-N 3.35Å; M448-K450 PolarHBondContact O-N 2.84Å
451	R	93.9	Very high	94.5	Very high	185 Å²	185	75 Å²	75	70%	0.698	37%	0.368	S	S	*	.	H	α-helix	trans	-88.3	-32.9	178.5	-70.4	175	177.3	172	1.1	113.7	Q447 M448 N449	Q447-R451 WeakPolarHBondContact O-CG 3.46Å; Q447-R451 PolarHBondContact O-N 3.03Å; M448-R451 PolarHBondContact O-N 3.45Å; N449-R451 PolarHBondContact O-N 2.83Å
452	L	92.9	Very high	94.7	Very high	41 Å²	41	74.2 Å²	74.2	22%	0.215	37%	0.365	C	S	.	.	H	α-helix	trans	-105.2	-32.1	-171.7	-64.6	172.7	0	0	0	113.5	M448 N449 S454 C455 I456 K568	M448-L452 PolarHBondContact O-N 2.82Å; N449-L452 PolarHBondContact O-N 3.09Å; L452-S454 PolarHBondContact O-N 2.8Å; L452-C455 WeakPolarHBondContact O-CB 3.3Å; L452-C455 PolarHBondContact O-N 3.05Å; L452-C455 VanDerWaalsContact O-N 3.09Å; L452-C455 PolarHBondContact O-SG 3.32Å; L452-I456 HydrophobicContact CB-CD1 3.82Å; L452-I456 HydrophobicContact CB-CG1 3.95Å; L452-I456 HydrophobicContact CD1-CD1 4.22Å; L452-I456 HydrophobicContact CD1-CG1 4.31Å; L452-K568 WeakPolarHBondContact CD2-O 3.41Å
453	G	88.8	Confident	94.7	Very high	26 Å²	26	71.3 Å²	71.3	27%	0.268	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	42.2	-124.7	179.9	0	0	0	0	0	112.7	N449 C455 I456	N449-G453 WeakPolarHBondContact O-CA 3.39Å; N449-G453 PolarHBondContact O-N 3.37Å; G453-C455 PolarHBondContact O-N 2.79Å; G453-I456 WeakPolarHBondContact O-CB 3.27Å; G453-I456 PolarHBondContact O-N 2.8Å
454	S	92.1	Very high	94.7	Very high	69 Å²	69	68.2 Å²	68.2	48%	0.483	33%	0.33	S	S	.	.	H	α-helix	trans	-53.7	-11.6	-177.9	71.5	0	0	0	0	116.7	L452 I456 K458	L452-S454 PolarHBondContact O-N 2.8Å; S454-I456 VanDerWaalsContact C-N 3.34Å; S454-K458 VanDerWaalsContact O-CB 3.27Å; S454-K458 WeakPolarHBondContact O-CB 3.19Å; S454-K458 WeakPolarHBondContact O-CD 3.43Å; S454-K458 WeakPolarHBondContact O-CG 3.25Å; S454-K458 PolarHBondContact O-N 3.37Å
455	C	94.4	Very high	94.8	Very high	24 Å²	24	62.5 Å²	62.5	16%	0.162	31%	0.31	C	S	.	.	H	α-helix	trans	-68.6	-33.7	169.9	-59.6	0	0	0	0	112.1	L452 G453 S459 K568	L452-C455 WeakPolarHBondContact O-CB 3.3Å; L452-C455 PolarHBondContact O-N 3.05Å; L452-C455 VanDerWaalsContact O-N 3.09Å; L452-C455 PolarHBondContact O-SG 3.32Å; G453-C455 PolarHBondContact O-N 2.79Å; C455-S459 VanDerWaalsContact O-CB 3.31Å; C455-S459 WeakPolarHBondContact O-CB 3.41Å; C455-S459 PolarHBondContact O-N 2.82Å; C455-S459 PolarHBondContact O-OG 2.84Å; C455-K568 HydrophobicContact CB-CB 4.25Å
456	I	95.2	Very high	94.9	Very high	2 Å²	2	66.5 Å²	66.5	1%	0.01	32%	0.322	C	S	.	.	H	α-helix	trans	-68.8	-54	176.2	-66	164.6	0	0	0	109.4	N449 L452 G453 S454 K458 S459 R460 Y572 F573	N449-I456 HydrophobicContact CB-CD1 4.3Å; L452-I456 HydrophobicContact CB-CD1 3.82Å; L452-I456 HydrophobicContact CB-CG1 3.95Å; L452-I456 HydrophobicContact CD1-CD1 4.22Å; L452-I456 HydrophobicContact CD1-CG1 4.31Å; G453-I456 WeakPolarHBondContact O-CB 3.27Å; G453-I456 PolarHBondContact O-N 2.8Å; S454-I456 VanDerWaalsContact C-N 3.34Å; I456-K458 VanDerWaalsContact C-N 3.33Å; I456-K458 PolarHBondContact O-N 3.28Å; I456-S459 PolarHBondContact O-N 3.22Å; I456-S459 PolarHBondContact O-OG 2.89Å; I456-R460 PolarHBondContact O-N 3.27Å; I456-Y572 HydrophobicContact CB-CD1 4.48Å; I456-Y572 HydrophobicContact CD1-CD1 3.9Å; I456-Y572 HydrophobicContact CD1-CD2 3.64Å; I456-Y572 HydrophobicContact CD1-CE1 4.16Å; I456-Y572 HydrophobicContact CD1-CE2 3.9Å; I456-Y572 HydrophobicContact CD1-CG 3.65Å; I456-Y572 HydrophobicContact CG1-CD1 3.84Å; I456-Y572 HydrophobicContact CG1-CD2 4.44Å; I456-Y572 HydrophobicContact CG1-CE1 4.27Å; I456-Y572 HydrophobicContact CG1-CG 3.94Å; I456-Y572 HydrophobicContact CG2-CD1 3.83Å; I456-Y572 HydrophobicContact CG2-CE1 3.49Å; I456-Y572 VanDerWaalsContact CG2-CE1 3.49Å; I456-F573 HydrophobicContact CG2-CE2 4.12Å; I456-F573 HydrophobicContact CG2-CZ 4.04Å
457	D	94.5	Very high	94.9	Very high	85 Å²	85	66.4 Å²	66.4	46%	0.455	32%	0.317	S	S	.	.	H	α-helix	trans	-64.1	-37.6	-175.7	-53.2	-58.7	0	0	0	112.7	S459 R460	D457-S459 VanDerWaalsContact C-N 3.3Å; D457-S459 PolarHBondContact O-N 2.82Å; D457-R460 IonicContact OD1-NH2 2.72Å
458	K	95.9	Very high	94.9	Very high	119 Å²	119	67.8 Å²	67.8	52%	0.517	32%	0.322	S	S	.	.	H	α-helix	trans	-68.2	-25.9	175.1	-72.9	173.2	-179.1	173.3	0	113.9	S454 I456 L562	S454-K458 VanDerWaalsContact O-CB 3.27Å; S454-K458 WeakPolarHBondContact O-CB 3.19Å; S454-K458 WeakPolarHBondContact O-CD 3.43Å; S454-K458 WeakPolarHBondContact O-CG 3.25Å; S454-K458 PolarHBondContact O-N 3.37Å; I456-K458 VanDerWaalsContact C-N 3.33Å; I456-K458 PolarHBondContact O-N 3.28Å; K458-L562 VanDerWaalsContact O-CD1 3.28Å; K458-L562 WeakPolarHBondContact O-CD1 3.48Å; K458-L562 WeakPolarHBondContact O-CD2 3.25Å
459	S	96.5	Very high	95.1	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-98.4	-18.6	-177.4	59	0	0	0	0	113.2	C455 I456 D457 P461 Y462 Y463 S569 F573	C455-S459 VanDerWaalsContact O-CB 3.31Å; C455-S459 WeakPolarHBondContact O-CB 3.41Å; C455-S459 PolarHBondContact O-N 2.82Å; C455-S459 PolarHBondContact O-OG 2.84Å; I456-S459 PolarHBondContact O-N 3.22Å; I456-S459 PolarHBondContact O-OG 2.89Å; D457-S459 VanDerWaalsContact C-N 3.3Å; D457-S459 PolarHBondContact O-N 2.82Å; S459-P461 VanDerWaalsContact C-CD 3.47Å; S459-P461 VanDerWaalsContact C-N 3.35Å; S459-Y462 WeakPolarHBondContact O-CB 3.38Å; S459-Y462 PolarHBondContact O-N 3.4Å; S459-Y463 WeakPolarHBondContact O-CD2 3.25Å; S459-Y463 PolarHBondContact O-N 2.93Å; S459-S569 WeakPolarHBondContact CB-OG 3.18Å; S459-S569 WeakPolarHBondContact OG-CB 3.42Å; S459-S569 PolarHBondContact OG-OG 3.34Å; S459-F573 WeakPolarHBondContact OG-CE2 3.27Å
460	R	95.7	Very high	95.2	Very high	95 Å²	95	66.1 Å²	66.1	36%	0.358	31%	0.314	S	S	.	.	H	α-helix	trans	-42.4	-49.5	176.5	172.1	-167.1	-61.3	-97.2	6	113.8	I456 D457 Y462 Y463 E464 F573	I456-R460 PolarHBondContact O-N 3.27Å; D457-R460 IonicContact OD1-NH2 2.72Å; R460-Y462 VanDerWaalsContact C-N 3.27Å; R460-Y462 PolarHBondContact O-N 3.34Å; R460-Y463 PolarHBondContact O-N 3.28Å; R460-Y463 VanDerWaalsContact O-N 3.1Å; R460-E464 WeakPolarHBondContact CD-OE1 3.13Å; R460-E464 HydrophobicContact CG-CG 4.38Å; R460-E464 WeakPolarHBondContact CG-OE1 3.37Å; R460-E464 IonicContact NH1-OE1 3.47Å; R460-E464 PolarHBondContact O-N 2.88Å; R460-F573 HydrophobicContact CB-CZ 4.33Å
461	P	96.7	Very high	95.2	Very high	56 Å²	56	63.1 Å²	63.1	36%	0.364	30%	0.303	S	S	.	.	H	α-helix	trans	-60.9	-31.6	-179	-25	35.8	0	0	0	114.2	S459 A465 L558	S459-P461 VanDerWaalsContact C-CD 3.47Å; S459-P461 VanDerWaalsContact C-N 3.35Å; P461-A465 VanDerWaalsContact O-CB 3.27Å; P461-A465 WeakPolarHBondContact O-CB 3.4Å; P461-A465 PolarHBondContact O-N 3.36Å; P461-L558 HydrophobicContact CB-CD1 4.43Å; P461-L558 HydrophobicContact CB-CD2 4.4Å
462	Y	97.8	Very high	95.3	Very high	20 Å²	20	55.1 Å²	55.1	8%	0.078	28%	0.276	C	S	.	.	H	α-helix	trans	-68	-40.2	176.6	160.9	-98.6	0	0	0	111.9	S459 R460 R466 V555 L558 Q559 I566	S459-Y462 WeakPolarHBondContact O-CB 3.38Å; S459-Y462 PolarHBondContact O-N 3.4Å; R460-Y462 VanDerWaalsContact C-N 3.27Å; R460-Y462 PolarHBondContact O-N 3.34Å; Y462-R466 HydrophobicContact CE2-CG 4.24Å; Y462-R466 WeakPolarHBondContact O-CG 3.46Å; Y462-R466 PolarHBondContact O-N 3.49Å; Y462-V555 HydrophobicContact CD2-CG1 4.3Å; Y462-V555 HydrophobicContact CE2-CG1 3.95Å; Y462-L558 HydrophobicContact CD2-CB 4.4Å; Y462-Q559 HydrophobicContact CD2-CB 4.1Å; Y462-Q559 HydrophobicContact CE2-CB 3.75Å; Y462-Q559 HydrophobicContact CE2-CG 3.96Å; Y462-I566 HydrophobicContact CD1-CB 4.42Å; Y462-I566 HydrophobicContact CD1-CD1 3.58Å; Y462-I566 HydrophobicContact CD1-CG1 3.63Å; Y462-I566 HydrophobicContact CD1-CG2 3.91Å; Y462-I566 HydrophobicContact CD2-CD1 3.71Å; Y462-I566 HydrophobicContact CE1-CB 4.42Å; Y462-I566 HydrophobicContact CE1-CD1 3.89Å; Y462-I566 HydrophobicContact CE1-CG1 4.05Å; Y462-I566 HydrophobicContact CE1-CG2 3.47Å; Y462-I566 VanDerWaalsContact CE1-CG2 3.47Å; Y462-I566 HydrophobicContact CE2-CD1 4.02Å; Y462-I566 HydrophobicContact CG-CD1 3.46Å; Y462-I566 VanDerWaalsContact CG-CD1 3.46Å; Y462-I566 HydrophobicContact CG-CG1 3.93Å
463	Y	96.7	Very high	95.6	Very high	27 Å²	27	57.4 Å²	57.4	11%	0.106	29%	0.286	C	S	.	.	H	α-helix	trans	-71.8	-36.9	176.6	-67.7	-82.6	0	0	0	111.9	S459 R460 R466 I467 I566 K570 F573	S459-Y463 WeakPolarHBondContact O-CD2 3.25Å; S459-Y463 PolarHBondContact O-N 2.93Å; R460-Y463 PolarHBondContact O-N 3.28Å; R460-Y463 VanDerWaalsContact O-N 3.1Å; Y463-R466 PolarHBondContact O-N 3.4Å; Y463-I467 WeakPolarHBondContact O-CG1 3.32Å; Y463-I467 PolarHBondContact O-N 2.91Å; Y463-I566 PolarHBondContact OH-O 3.33Å; Y463-K570 WeakPolarHBondContact OH-CA 3.36Å; Y463-F573 HydrophobicContact CD1-CB 3.9Å; Y463-F573 HydrophobicContact CD1-CD1 4.03Å; Y463-F573 AromaticContact CD1-CG 3.89Å; Y463-F573 HydrophobicContact CD1-CG 3.89Å; Y463-F573 HydrophobicContact CD2-CB 4.43Å; Y463-F573 AromaticContact CD2-CD1 3.68Å; Y463-F573 HydrophobicContact CD2-CD1 3.68Å; Y463-F573 AromaticContact CD2-CD2 3.54Å; Y463-F573 HydrophobicContact CD2-CD2 3.54Å; Y463-F573 AromaticContact CD2-CE1 3.71Å; Y463-F573 HydrophobicContact CD2-CE1 3.71Å; Y463-F573 AromaticContact CD2-CE2 3.57Å; Y463-F573 HydrophobicContact CD2-CE2 3.57Å; Y463-F573 AromaticContact CD2-CG 3.6Å; Y463-F573 HydrophobicContact CD2-CG 3.6Å; Y463-F573 AromaticContact CD2-CZ 3.66Å; Y463-F573 HydrophobicContact CD2-CZ 3.66Å; Y463-F573 HydrophobicContact CE1-CB 3.66Å; Y463-F573 HydrophobicContact CE1-CD1 4.5Å; Y463-F573 HydrophobicContact CE1-CD2 4.28Å; Y463-F573 AromaticContact CE1-CG 3.9Å; Y463-F573 HydrophobicContact CE1-CG 3.9Å; Y463-F573 HydrophobicContact CE2-CB 4.23Å; Y463-F573 HydrophobicContact CE2-CD1 4.21Å; Y463-F573 AromaticContact CE2-CD2 3.26Å; Y463-F573 HydrophobicContact CE2-CD2 3.26Å; Y463-F573 HydrophobicContact CE2-CE1 4.44Å; Y463-F573 AromaticContact CE2-CE2 3.55Å; Y463-F573 HydrophobicContact CE2-CE2 3.55Å; Y463-F573 AromaticContact CE2-CG 3.63Å; Y463-F573 HydrophobicContact CE2-CG 3.63Å; Y463-F573 HydrophobicContact CE2-CZ 4.15Å; Y463-F573 HydrophobicContact CG-CB 4.28Å; Y463-F573 AromaticContact CG-CD1 3.59Å; Y463-F573 HydrophobicContact CG-CD1 3.59Å; Y463-F573 HydrophobicContact CG-CD2 4.18Å; Y463-F573 AromaticContact CG-CE1 3.9Å; Y463-F573 HydrophobicContact CG-CE1 3.9Å; Y463-F573 HydrophobicContact CG-CE2 4.45Å; Y463-F573 AromaticContact CG-CG 3.75Å; Y463-F573 HydrophobicContact CG-CG 3.75Å; Y463-F573 HydrophobicContact CG-CZ 4.33Å; Y463-F573 AromaticContact CZ-CD2 3.67Å; Y463-F573 AromaticContact CZ-CG 3.78Å
464	E	95.5	Very high	96	Very high	82 Å²	82	60 Å²	60	38%	0.383	29%	0.291	S	S	.	.	H	α-helix	trans	-66.5	-39.6	174.1	-72.2	163.3	-178.9	0	0	111.5	R460 I467 K468	R460-E464 WeakPolarHBondContact CD-OE1 3.13Å; R460-E464 HydrophobicContact CG-CG 4.38Å; R460-E464 WeakPolarHBondContact CG-OE1 3.37Å; R460-E464 IonicContact NH1-OE1 3.47Å; R460-E464 PolarHBondContact O-N 2.88Å; E464-I467 PolarHBondContact O-N 3.5Å; E464-K468 PolarHBondContact O-N 3.42Å
465	A	97.1	Very high	96.2	Very high	6 Å²	6	59.3 Å²	59.3	5%	0.05	28%	0.28	C	S	.	.	H	α-helix	trans	-65.5	-36.8	171.7	0	0	0	0	0	112.7	P461 K468 V469 V555 L558	P461-A465 VanDerWaalsContact O-CB 3.27Å; P461-A465 WeakPolarHBondContact O-CB 3.4Å; P461-A465 PolarHBondContact O-N 3.36Å; A465-K468 PolarHBondContact O-N 3.39Å; A465-V469 PolarHBondContact O-N 3.37Å; A465-V555 HydrophobicContact CB-CG2 3.65Å; A465-V555 WeakPolarHBondContact O-CG2 3.29Å; A465-L558 HydrophobicContact CB-CD1 3.66Å
466	R	96.8	Very high	96.3	Very high	119 Å²	119	58.9 Å²	58.9	45%	0.449	28%	0.278	S	S	.	.	H	α-helix	trans	-65.2	-35.9	174.1	-81	-169.2	69.2	-170	4.9	113	Y462 Y463 V469 L470 V555	Y462-R466 HydrophobicContact CE2-CG 4.24Å; Y462-R466 WeakPolarHBondContact O-CG 3.46Å; Y462-R466 PolarHBondContact O-N 3.49Å; Y463-R466 PolarHBondContact O-N 3.4Å; R466-V469 PolarHBondContact O-N 2.92Å; R466-L470 PolarHBondContact O-N 3Å; R466-V555 HydrophobicContact CG-CG1 3.79Å; R466-V555 HydrophobicContact CG-CG2 3.94Å
467	I	94.3	Very high	96.4	Very high	48 Å²	48	64.6 Å²	64.6	25%	0.246	30%	0.304	C	S	.	.	H	α-helix	trans	-62.4	-46.8	173.4	-69.8	164.2	0	0	0	109.6	Y463 E464 V469 L470 E471	Y463-I467 WeakPolarHBondContact O-CG1 3.32Å; Y463-I467 PolarHBondContact O-N 2.91Å; E464-I467 PolarHBondContact O-N 3.5Å; I467-V469 VanDerWaalsContact C-N 3.29Å; I467-V469 PolarHBondContact O-N 3.35Å; I467-L470 WeakPolarHBondContact O-CB 3.28Å; I467-L470 PolarHBondContact O-N 3.18Å; I467-E471 HydrophobicContact CG2-CG 4.28Å; I467-E471 WeakPolarHBondContact CG2-OE1 3.48Å; I467-E471 WeakPolarHBondContact O-CG 3.49Å; I467-E471 PolarHBondContact O-N 2.99Å
468	K	95.7	Very high	96.6	Very high	132 Å²	132	65 Å²	65	57%	0.574	30%	0.302	S	S	*	.	H	α-helix	trans	-59.7	-33.7	175.8	-67.4	-176.6	179.5	-169.3	0	114.2	E464 A465 E471 A472	E464-K468 PolarHBondContact O-N 3.42Å; A465-K468 PolarHBondContact O-N 3.39Å; K468-E471 WeakPolarHBondContact CA-OE2 3.4Å; K468-A472 VanDerWaalsContact O-CB 3.29Å; K468-A472 WeakPolarHBondContact O-CB 3.34Å; K468-A472 PolarHBondContact O-N 2.79Å
469	V	97.7	Very high	96.7	Very high	17 Å²	17	59.3 Å²	59.3	10%	0.103	28%	0.278	C	S	.	.	H	α-helix	trans	-63.3	-46.3	171.7	170	0	0	0	0	111.2	A465 R466 I467 A472 Q473 A551 V555	A465-V469 PolarHBondContact O-N 3.37Å; R466-V469 PolarHBondContact O-N 2.92Å; I467-V469 VanDerWaalsContact C-N 3.29Å; I467-V469 PolarHBondContact O-N 3.35Å; V469-A472 PolarHBondContact O-N 2.94Å; V469-Q473 HydrophobicContact CG1-CG 4.28Å; V469-Q473 VanDerWaalsContact O-CB 3.31Å; V469-Q473 WeakPolarHBondContact O-CB 3.36Å; V469-Q473 WeakPolarHBondContact O-CG 3.23Å; V469-Q473 PolarHBondContact O-N 3.36Å; V469-A551 HydrophobicContact CB-CB 4.42Å; V469-A551 HydrophobicContact CG2-CB 3.56Å; V469-A551 WeakPolarHBondContact CG2-O 3.47Å; V469-V555 HydrophobicContact CG2-CB 4.4Å; V469-V555 HydrophobicContact CG2-CG2 3.6Å
470	L	96.2	Very high	96.7	Very high	61 Å²	61	60.8 Å²	60.8	32%	0.319	29%	0.29	S	S	.	.	H	α-helix	trans	-65.1	-42	179.5	-66.3	171.1	0	0	0	111.8	R466 I467 Q473 Q474 Y795	R466-L470 PolarHBondContact O-N 3Å; I467-L470 WeakPolarHBondContact O-CB 3.28Å; I467-L470 PolarHBondContact O-N 3.18Å; L470-Q473 PolarHBondContact O-N 3.29Å; L470-Q474 WeakPolarHBondContact O-CG 3.48Å; L470-Q474 PolarHBondContact O-N 3Å; L470-Y795 HydrophobicContact CD1-CD2 4.17Å; L470-Y795 HydrophobicContact CD1-CG 4.46Å
471	E	95.6	Very high	96.8	Very high	112 Å²	112	60.2 Å²	60.2	52%	0.523	29%	0.293	S	S	.	.	H	α-helix	trans	-60.5	-49.5	175.5	-69.1	166.3	162	0	0	111.4	I467 K468 Q473 Q474 E475	I467-E471 HydrophobicContact CG2-CG 4.28Å; I467-E471 WeakPolarHBondContact CG2-OE1 3.48Å; I467-E471 WeakPolarHBondContact O-CG 3.49Å; I467-E471 PolarHBondContact O-N 2.99Å; K468-E471 WeakPolarHBondContact CA-OE2 3.4Å; E471-Q473 VanDerWaalsContact C-N 3.35Å; E471-Q473 PolarHBondContact O-N 2.94Å; E471-Q474 PolarHBondContact O-N 3.22Å; E471-E475 PolarHBondContact O-N 2.79Å; E471-E475 VanDerWaalsContact O-N 3.1Å
472	A	96.1	Very high	96.8	Very high	17 Å²	17	63.2 Å²	63.2	14%	0.14	30%	0.298	C	S	.	.	H	α-helix	trans	-63.5	-38.3	176.9	0	0	0	0	0	112.2	K468 V469 E475 A476 V548	K468-A472 VanDerWaalsContact O-CB 3.29Å; K468-A472 WeakPolarHBondContact O-CB 3.34Å; K468-A472 PolarHBondContact O-N 2.79Å; V469-A472 PolarHBondContact O-N 2.94Å; A472-E475 PolarHBondContact O-N 2.81Å; A472-A476 VanDerWaalsContact O-CB 3.3Å; A472-A476 WeakPolarHBondContact O-CB 3.43Å; A472-A476 PolarHBondContact O-N 3.48Å; A472-V548 HydrophobicContact CB-CG2 3.72Å; A472-V548 VanDerWaalsContact O-CG2 3.31Å; A472-V548 WeakPolarHBondContact O-CG2 3.47Å
473	Q	97.7	Very high	96.8	Very high	88 Å²	88	64.5 Å²	64.5	41%	0.411	30%	0.304	S	S	.	.	H	α-helix	trans	-66.2	-40.6	176.7	-78.2	174.2	-14	0	0	112.1	V469 L470 E471 A476 H477 V548	V469-Q473 HydrophobicContact CG1-CG 4.28Å; V469-Q473 VanDerWaalsContact O-CB 3.31Å; V469-Q473 WeakPolarHBondContact O-CB 3.36Å; V469-Q473 WeakPolarHBondContact O-CG 3.23Å; V469-Q473 PolarHBondContact O-N 3.36Å; L470-Q473 PolarHBondContact O-N 3.29Å; E471-Q473 VanDerWaalsContact C-N 3.35Å; E471-Q473 PolarHBondContact O-N 2.94Å; Q473-A476 PolarHBondContact O-N 2.7Å; Q473-H477 WeakPolarHBondContact O-CB 3.49Å; Q473-H477 PolarHBondContact O-N 2.97Å; Q473-V548 HydrophobicContact CG-CG1 3.72Å; Q473-V548 HydrophobicContact CG-CG2 4.13Å
474	Q	97.5	Very high	96.9	Very high	81 Å²	81	67.3 Å²	67.3	38%	0.379	32%	0.318	S	S	.	.	H	α-helix	trans	-62.6	-41.8	174.7	-74.5	-178.9	14.4	0	0	111.7	L470 E471 K478 T797	L470-Q474 WeakPolarHBondContact O-CG 3.48Å; L470-Q474 PolarHBondContact O-N 3Å; E471-Q474 PolarHBondContact O-N 3.22Å; Q474-K478 WeakPolarHBondContact O-CG 3.48Å; Q474-K478 PolarHBondContact O-N 3.26Å; Q474-K478 VanDerWaalsContact O-N 3.09Å; Q474-T797 PolarHBondContact OE1-OG1 2.98Å
475	E	96.3	Very high	97	Very high	55 Å²	55	72.3 Å²	72.3	26%	0.257	33%	0.333	S	S	.	.	H	α-helix	trans	-75.9	-33.1	178.4	-159.5	56.5	-132.9	0	0	112.7	E471 A472 H477 K478 A479 R482 I544	E471-E475 PolarHBondContact O-N 2.79Å; E471-E475 VanDerWaalsContact O-N 3.1Å; A472-E475 PolarHBondContact O-N 2.81Å; E475-H477 VanDerWaalsContact C-N 3.31Å; E475-H477 PolarHBondContact O-N 2.89Å; E475-K478 PolarHBondContact O-N 3.47Å; E475-K478 WeakPolarHBondContact OE2-CD 3.21Å; E475-K478 VanDerWaalsContact OE2-CE 3.28Å; E475-K478 WeakPolarHBondContact OE2-CE 3.42Å; E475-K478 IonicContact OE2-NZ 3.5Å; E475-K478 PolarHBondContact OE2-NZ 3.2Å; E475-A479 WeakPolarHBondContact O-CB 3.4Å; E475-A479 PolarHBondContact O-N 3.34Å; E475-R482 IonicContact OE1-CZ 3.71Å; E475-R482 VanDerWaalsContact OE1-CZ 3.23Å; E475-R482 IonicContact OE1-NH1 3.44Å; E475-R482 PolarHBondContact OE1-NH1 3.28Å; E475-R482 IonicContact OE1-NH2 2.71Å; E475-R482 PolarHBondContact OE1-NH2 3.41Å; E475-I544 HydrophobicContact CB-CG2 4.26Å; E475-I544 HydrophobicContact CG-CD1 4.02Å
476	A	97.5	Very high	97.1	Very high	14 Å²	14	72.5 Å²	72.5	12%	0.116	34%	0.335	C	S	.	.	H	α-helix	trans	-59.1	-43.5	170.6	0	0	0	0	0	111.1	A472 Q473 A479 A480 I544 V548	A472-A476 VanDerWaalsContact O-CB 3.3Å; A472-A476 WeakPolarHBondContact O-CB 3.43Å; A472-A476 PolarHBondContact O-N 3.48Å; Q473-A476 PolarHBondContact O-N 2.7Å; A476-A479 PolarHBondContact O-N 3.11Å; A476-A480 WeakPolarHBondContact O-CB 3.31Å; A476-A480 PolarHBondContact O-N 2.92Å; A476-I544 HydrophobicContact CB-CG2 3.9Å; A476-V548 HydrophobicContact CB-CG2 3.8Å
477	H	97.6	Very high	97.1	Very high	122 Å²	122	69.5 Å²	69.5	57%	0.565	33%	0.327	S	S	*	.	H	α-helix	trans	-64.1	-43.4	175.4	-179.2	55.7	0	0	0	112.3	Q473 E475 A479 A480 L481	Q473-H477 WeakPolarHBondContact O-CB 3.49Å; Q473-H477 PolarHBondContact O-N 2.97Å; E475-H477 VanDerWaalsContact C-N 3.31Å; E475-H477 PolarHBondContact O-N 2.89Å; H477-A479 VanDerWaalsContact C-N 3.34Å; H477-A479 PolarHBondContact O-N 2.9Å; H477-A480 PolarHBondContact O-N 3.43Å; H477-L481 WeakPolarHBondContact O-CG 3.27Å; H477-L481 PolarHBondContact O-N 2.89Å
478	K	97.3	Very high	97.3	Very high	93 Å²	93	72.1 Å²	72.1	40%	0.404	33%	0.334	S	S	.	.	H	α-helix	trans	-60.6	-41.7	173.3	-72.1	178.1	-122.1	160.3	0	111.9	Q474 E475 L481 R482	Q474-K478 WeakPolarHBondContact O-CG 3.48Å; Q474-K478 PolarHBondContact O-N 3.26Å; Q474-K478 VanDerWaalsContact O-N 3.09Å; E475-K478 PolarHBondContact O-N 3.47Å; E475-K478 WeakPolarHBondContact OE2-CD 3.21Å; E475-K478 VanDerWaalsContact OE2-CE 3.28Å; E475-K478 WeakPolarHBondContact OE2-CE 3.42Å; E475-K478 IonicContact OE2-NZ 3.5Å; E475-K478 PolarHBondContact OE2-NZ 3.2Å; K478-L481 PolarHBondContact O-N 3.1Å; K478-R482 WeakPolarHBondContact O-CG 3.39Å; K478-R482 PolarHBondContact O-N 2.96Å
479	A	97.5	Very high	97.4	Very high	1 Å²	1	69.2 Å²	69.2	1%	0.008	32%	0.324	C	S	.	.	H	α-helix	trans	-68.5	-37.4	177.4	0	0	0	0	0	112.8	E475 A476 H477 L481 R482 F483 H541 I544	E475-A479 WeakPolarHBondContact O-CB 3.4Å; E475-A479 PolarHBondContact O-N 3.34Å; A476-A479 PolarHBondContact O-N 3.11Å; H477-A479 VanDerWaalsContact C-N 3.34Å; H477-A479 PolarHBondContact O-N 2.9Å; A479-L481 VanDerWaalsContact C-N 3.34Å; A479-L481 PolarHBondContact O-N 3.26Å; A479-R482 PolarHBondContact O-N 3.35Å; A479-F483 WeakPolarHBondContact O-CB 3.46Å; A479-F483 PolarHBondContact O-N 2.99Å; A479-H541 HydrophobicContact CB-CB 4.1Å; A479-I544 HydrophobicContact CB-CD1 3.51Å
480	A	98.1	Very high	97.4	Very high	31 Å²	31	69 Å²	69	26%	0.256	32%	0.321	S	S	.	.	H	α-helix	trans	-59.3	-44	171.5	0	0	0	0	0	111.5	A476 H477 F483 E484	A476-A480 WeakPolarHBondContact O-CB 3.31Å; A476-A480 PolarHBondContact O-N 2.92Å; H477-A480 PolarHBondContact O-N 3.43Å; A480-F483 PolarHBondContact O-N 2.94Å; A480-E484 WeakPolarHBondContact O-CB 3.32Å; A480-E484 PolarHBondContact O-N 2.78Å
481	L	97.8	Very high	97.5	Very high	82 Å²	82	68.8 Å²	68.8	43%	0.429	33%	0.329	S	S	.	.	H	α-helix	trans	-66.1	-34.9	175.3	-69	171.8	0	0	0	112.9	H477 K478 A479 R485	H477-L481 WeakPolarHBondContact O-CG 3.27Å; H477-L481 PolarHBondContact O-N 2.89Å; K478-L481 PolarHBondContact O-N 3.1Å; A479-L481 VanDerWaalsContact C-N 3.34Å; A479-L481 PolarHBondContact O-N 3.26Å; L481-R485 WeakPolarHBondContact O-CB 3.36Å; L481-R485 PolarHBondContact O-N 2.77Å
482	R	96.3	Very high	97.6	Very high	120 Å²	120	66 Å²	66	45%	0.453	32%	0.319	S	S	.	.	H	α-helix	trans	-64.9	-46.6	172.4	-69.1	175.3	-164.8	111.3	-4.6	111	E475 K478 A479 R485 A486	E475-R482 IonicContact OE1-CZ 3.71Å; E475-R482 VanDerWaalsContact OE1-CZ 3.23Å; E475-R482 IonicContact OE1-NH1 3.44Å; E475-R482 PolarHBondContact OE1-NH1 3.28Å; E475-R482 IonicContact OE1-NH2 2.71Å; E475-R482 PolarHBondContact OE1-NH2 3.41Å; K478-R482 WeakPolarHBondContact O-CG 3.39Å; K478-R482 PolarHBondContact O-N 2.96Å; A479-R482 PolarHBondContact O-N 3.35Å; R482-R485 PolarHBondContact O-N 2.94Å; R482-A486 PolarHBondContact O-N 3.07Å
483	F	98.3	Very high	97.7	Very high	46 Å²	46	65.4 Å²	65.4	20%	0.202	31%	0.314	C	S	.	.	H	α-helix	trans	-63.9	-43.1	177	175.5	-123.1	0	0	0	112.1	A479 A480 R485 A486 N487 R534 E538 H541	A479-F483 WeakPolarHBondContact O-CB 3.46Å; A479-F483 PolarHBondContact O-N 2.99Å; A480-F483 PolarHBondContact O-N 2.94Å; F483-R485 PolarHBondContact O-N 3.45Å; F483-A486 PolarHBondContact O-N 2.93Å; F483-N487 WeakPolarHBondContact CD2-ND2 3.24Å; F483-N487 VanDerWaalsContact CE1-ND2 3.32Å; F483-N487 WeakPolarHBondContact CE1-ND2 3.18Å; F483-N487 WeakPolarHBondContact CE2-ND2 3.26Å; F483-N487 WeakPolarHBondContact CZ-ND2 3.27Å; F483-N487 PolarHBondContact O-N 3.34Å; F483-N487 PolarHBondContact O-ND2 2.79Å; F483-R534 HydrophobicContact CE2-CG 4.16Å; F483-E538 HydrophobicContact CD2-CB 3.81Å; F483-E538 HydrophobicContact CD2-CG 4.41Å; F483-E538 HydrophobicContact CE2-CB 3.49Å; F483-E538 VanDerWaalsContact CE2-CB 3.49Å; F483-E538 HydrophobicContact CE2-CG 3.75Å; F483-E538 HydrophobicContact CZ-CB 4.16Å; F483-E538 HydrophobicContact CZ-CG 3.9Å; F483-H541 HydrophobicContact CB-CB 4.46Å
484	E	97.9	Very high	97.7	Very high	86 Å²	86	66.6 Å²	66.6	40%	0.402	32%	0.318	S	S	.	.	H	α-helix	trans	-59.2	-45.7	174.1	-172.1	-179.4	-164.7	0	0	111.6	A480 A486 N487 R488	A480-E484 WeakPolarHBondContact O-CB 3.32Å; A480-E484 PolarHBondContact O-N 2.78Å; E484-A486 PolarHBondContact O-N 2.87Å; E484-N487 PolarHBondContact O-N 3.44Å; E484-R488 WeakPolarHBondContact O-CG 3.42Å; E484-R488 PolarHBondContact O-N 2.72Å; E484-R488 IonicContact OE1-CZ 3.07Å; E484-R488 IonicContact OE1-NE 3.49Å; E484-R488 IonicContact OE1-NH2 3.53Å; E484-R488 PolarHBondContact OE1-NH2 2.81Å; E484-R488 IonicContact OE2-NH2 2.73Å
485	R	98	Very high	97.7	Very high	187 Å²	187	68.3 Å²	68.3	71%	0.706	33%	0.326	S	S	*	.	H	α-helix	trans	-59.8	-44.2	174.7	-175.8	-178.2	-65.9	177.8	-1.3	111.9	L481 R482 F483 R488 M489	L481-R485 WeakPolarHBondContact O-CB 3.36Å; L481-R485 PolarHBondContact O-N 2.77Å; R482-R485 PolarHBondContact O-N 2.94Å; F483-R485 PolarHBondContact O-N 3.45Å; R485-R488 PolarHBondContact O-N 3.09Å; R485-M489 HydrophobicContact CG-CG 4.45Å; R485-M489 WeakPolarHBondContact O-CB 3.42Å; R485-M489 WeakPolarHBondContact O-CG 3.08Å; R485-M489 PolarHBondContact O-N 3.14Å
486	A	98.2	Very high	97.8	Very high	10 Å²	10	68.1 Å²	68.1	8%	0.083	33%	0.325	C	S	.	.	H	α-helix	trans	-63.6	-40.7	177.8	0	0	0	0	0	112	R482 F483 E484 R488 M489 H490 R534 S537	R482-A486 PolarHBondContact O-N 3.07Å; F483-A486 PolarHBondContact O-N 2.93Å; E484-A486 PolarHBondContact O-N 2.87Å; A486-R488 PolarHBondContact O-N 3.01Å; A486-M489 PolarHBondContact O-N 3.08Å; A486-H490 WeakPolarHBondContact O-CB 3.27Å; A486-H490 PolarHBondContact O-N 2.8Å; A486-R534 HydrophobicContact CB-CB 4.25Å; A486-S537 WeakPolarHBondContact CB-OG 3.27Å
487	N	98.2	Very high	97.7	Very high	56 Å²	56	69 Å²	69	30%	0.299	33%	0.329	S	S	.	.	H	α-helix	trans	-60	-43.9	172.7	-71.7	-52.2	0	0	0	112.1	F483 E484 H490 A491 R534	F483-N487 WeakPolarHBondContact CD2-ND2 3.24Å; F483-N487 VanDerWaalsContact CE1-ND2 3.32Å; F483-N487 WeakPolarHBondContact CE1-ND2 3.18Å; F483-N487 WeakPolarHBondContact CE2-ND2 3.26Å; F483-N487 WeakPolarHBondContact CZ-ND2 3.27Å; F483-N487 PolarHBondContact O-N 3.34Å; F483-N487 PolarHBondContact O-ND2 2.79Å; E484-N487 PolarHBondContact O-N 3.44Å; N487-H490 PolarHBondContact O-N 3.38Å; N487-A491 WeakPolarHBondContact O-CB 3.22Å; N487-A491 PolarHBondContact O-N 2.87Å; N487-R534 VanDerWaalsContact OD1-CD 3.25Å; N487-R534 WeakPolarHBondContact OD1-CD 3.27Å; N487-R534 WeakPolarHBondContact OD1-CG 3.38Å
488	R	98	Very high	97.7	Very high	104 Å²	104	66.9 Å²	66.9	39%	0.392	33%	0.328	S	S	.	.	H	α-helix	trans	-63.2	-47	175.4	-67.7	-178.9	-164.4	-179.3	6.8	111.6	E484 R485 A486 H490 A491 V492 E770	E484-R488 WeakPolarHBondContact O-CG 3.42Å; E484-R488 PolarHBondContact O-N 2.72Å; E484-R488 IonicContact OE1-CZ 3.07Å; E484-R488 IonicContact OE1-NE 3.49Å; E484-R488 IonicContact OE1-NH2 3.53Å; E484-R488 PolarHBondContact OE1-NH2 2.81Å; E484-R488 IonicContact OE2-NH2 2.73Å; R485-R488 PolarHBondContact O-N 3.09Å; A486-R488 PolarHBondContact O-N 3.01Å; R488-H490 VanDerWaalsContact C-N 3.33Å; R488-H490 PolarHBondContact O-N 3.04Å; R488-A491 PolarHBondContact O-N 3.19Å; R488-V492 WeakPolarHBondContact O-CG2 3.36Å; R488-V492 PolarHBondContact O-N 3.42Å; R488-E770 IonicContact CZ-OE1 3.87Å; R488-E770 VanDerWaalsContact NH1-CD 3.34Å; R488-E770 IonicContact NH1-OE1 3.49Å; R488-E770 PolarHBondContact NH1-OE1 2.86Å; R488-E770 IonicContact NH1-OE2 2.72Å
489	M	97.3	Very high	97.6	Very high	71 Å²	71	66.6 Å²	66.6	35%	0.35	33%	0.331	S	S	.	.	H	α-helix	trans	-59.5	-41.6	177.6	-74.2	-60.5	-59.2	0	0	112.4	R485 A486 V492 A493 L766	R485-M489 HydrophobicContact CG-CG 4.45Å; R485-M489 WeakPolarHBondContact O-CB 3.42Å; R485-M489 WeakPolarHBondContact O-CG 3.08Å; R485-M489 PolarHBondContact O-N 3.14Å; A486-M489 PolarHBondContact O-N 3.08Å; M489-V492 PolarHBondContact O-N 3.08Å; M489-A493 WeakPolarHBondContact O-CB 3.42Å; M489-A493 PolarHBondContact O-N 2.98Å; M489-L766 HydrophobicContact CE-CD1 3.97Å; M489-L766 HydrophobicContact SD-CD1 4.25Å
490	H	98.3	Very high	97.3	Very high	12 Å²	12	67.3 Å²	67.3	6%	0.056	33%	0.334	C	S	.	.	H	α-helix	trans	-66.5	-40.5	176.2	-174.6	48.6	0	0	0	113.1	A486 N487 R488 A493 K494 V527 A530 E531	A486-H490 WeakPolarHBondContact O-CB 3.27Å; A486-H490 PolarHBondContact O-N 2.8Å; N487-H490 PolarHBondContact O-N 3.38Å; R488-H490 VanDerWaalsContact C-N 3.33Å; R488-H490 PolarHBondContact O-N 3.04Å; H490-A493 PolarHBondContact O-N 2.86Å; H490-K494 VanDerWaalsContact CE1-CE 3.42Å; H490-K494 WeakPolarHBondContact CE1-CE 3.43Å; H490-K494 WeakPolarHBondContact NE2-CE 3.49Å; H490-K494 PolarHBondContact NE2-NZ 3.26Å; H490-K494 WeakPolarHBondContact O-CB 3.22Å; H490-K494 PolarHBondContact O-N 3.28Å; H490-V527 PolarHBondContact CE1-O 3.16Å; H490-A530 HydrophobicContact CB-CB 4.01Å; H490-E531 IonicContact CD2-OE2 3.34Å; H490-E531 PolarHBondContact CD2-OE2 3.28Å; H490-E531 IonicContact CE1-OE2 2.75Å; H490-E531 PolarHBondContact CE1-OE2 3.48Å; H490-E531 IonicContact NE2-OE2 3.7Å; H490-E531 PolarHBondContact NE2-OE2 2.89Å
491	A	98	Very high	97.1	Very high	57 Å²	57	69.6 Å²	69.6	47%	0.471	34%	0.34	S	S	.	.	H	α-helix	trans	-61.9	-43.5	174	0	0	0	0	0	111.5	N487 R488 K494 Q495	N487-A491 WeakPolarHBondContact O-CB 3.22Å; N487-A491 PolarHBondContact O-N 2.87Å; R488-A491 PolarHBondContact O-N 3.19Å; A491-K494 PolarHBondContact O-N 3.06Å; A491-Q495 WeakPolarHBondContact O-CB 3.2Å; A491-Q495 PolarHBondContact O-N 3.34Å
492	V	97.9	Very high	96.8	Very high	53 Å²	53	69.6 Å²	69.6	32%	0.321	34%	0.338	S	S	.	.	H	α-helix	trans	-63.4	-44.4	175.5	171.4	0	0	0	0	111.6	R488 M489 K494 Q495 Q496	R488-V492 WeakPolarHBondContact O-CG2 3.36Å; R488-V492 PolarHBondContact O-N 3.42Å; M489-V492 PolarHBondContact O-N 3.08Å; V492-K494 PolarHBondContact O-N 2.99Å; V492-Q495 PolarHBondContact O-N 3.46Å; V492-Q496 WeakPolarHBondContact O-CG 3.41Å; V492-Q496 PolarHBondContact O-N 2.91Å
493	A	98.1	Very high	96.5	Very high	5 Å²	5	66.7 Å²	66.7	4%	0.041	34%	0.336	C	S	.	.	H	α-helix	trans	-61.5	-42.7	176.9	0	0	0	0	0	111.8	M489 H490 Q495 Q496 V497 V527 A530	M489-A493 WeakPolarHBondContact O-CB 3.42Å; M489-A493 PolarHBondContact O-N 2.98Å; H490-A493 PolarHBondContact O-N 2.86Å; A493-Q495 VanDerWaalsContact C-N 3.35Å; A493-Q495 PolarHBondContact O-N 2.85Å; A493-Q496 WeakPolarHBondContact O-CB 3.32Å; A493-Q496 PolarHBondContact O-N 3.33Å; A493-V497 PolarHBondContact O-N 2.98Å; A493-V497 VanDerWaalsContact O-N 3.08Å; A493-V527 HydrophobicContact CB-CB 4.49Å; A493-V527 HydrophobicContact CB-CG2 3.67Å; A493-V527 WeakPolarHBondContact O-CG2 3.47Å; A493-A530 HydrophobicContact CB-CB 4.4Å
494	K	98.2	Very high	96	Very high	112 Å²	112	65.2 Å²	65.2	49%	0.487	33%	0.33	S	S	.	.	H	α-helix	trans	-63.5	-39	174.4	-80.2	175.2	164.9	167.8	0	112.3	H490 A491 V492 V497 S498 V527	H490-K494 VanDerWaalsContact CE1-CE 3.42Å; H490-K494 WeakPolarHBondContact CE1-CE 3.43Å; H490-K494 WeakPolarHBondContact NE2-CE 3.49Å; H490-K494 PolarHBondContact NE2-NZ 3.26Å; H490-K494 WeakPolarHBondContact O-CB 3.22Å; H490-K494 PolarHBondContact O-N 3.28Å; A491-K494 PolarHBondContact O-N 3.06Å; V492-K494 PolarHBondContact O-N 2.99Å; K494-V497 PolarHBondContact O-N 3.37Å; K494-S498 PolarHBondContact O-N 3.27Å; K494-V527 HydrophobicContact CG-CG1 3.93Å; K494-V527 HydrophobicContact CG-CG2 4.03Å
495	Q	98	Very high	95.5	Very high	118 Å²	118	66.5 Å²	66.5	55%	0.551	34%	0.34	S	S	*	.	H	α-helix	trans	-65.1	-38.3	174.2	-170.8	179.1	4.6	0	0	111.8	A491 V492 A493 S498 L499	A491-Q495 WeakPolarHBondContact O-CB 3.2Å; A491-Q495 PolarHBondContact O-N 3.34Å; V492-Q495 PolarHBondContact O-N 3.46Å; A493-Q495 VanDerWaalsContact C-N 3.35Å; A493-Q495 PolarHBondContact O-N 2.85Å; Q495-S498 PolarHBondContact O-N 3.46Å; Q495-L499 HydrophobicContact CG-CD1 3.98Å; Q495-L499 HydrophobicContact CG-CG 4.3Å; Q495-L499 WeakPolarHBondContact O-CB 3.36Å; Q495-L499 WeakPolarHBondContact O-CG 3.3Å; Q495-L499 PolarHBondContact O-N 2.89Å
496	Q	96.6	Very high	95	Very high	50 Å²	50	66.8 Å²	66.8	23%	0.234	34%	0.341	C	S	.	.	H	α-helix	trans	-61.5	-46.2	174.9	-74.7	173.4	-18.1	0	0	111.9	V492 A493 S498 L499 T500 H523	V492-Q496 WeakPolarHBondContact O-CG 3.41Å; V492-Q496 PolarHBondContact O-N 2.91Å; A493-Q496 WeakPolarHBondContact O-CB 3.32Å; A493-Q496 PolarHBondContact O-N 3.33Å; Q496-S498 VanDerWaalsContact C-N 3.33Å; Q496-S498 PolarHBondContact O-N 2.99Å; Q496-L499 PolarHBondContact O-N 2.85Å; Q496-T500 WeakPolarHBondContact O-CB 3.42Å; Q496-T500 PolarHBondContact O-N 3.43Å; Q496-T500 PolarHBondContact O-OG1 2.95Å; Q496-T500 VanDerWaalsContact O-OG1 3.09Å; Q496-H523 HydrophobicContact CB-CB 4.47Å
497	V	97	Very high	94.1	Very high	33 Å²	33	71.5 Å²	71.5	20%	0.2	36%	0.361	C	S	.	.	H	α-helix	trans	-57.9	-45.6	172.4	175	0	0	0	0	111.1	A493 K494 T500 Q501 L520 H523 I524 V527	A493-V497 PolarHBondContact O-N 2.98Å; A493-V497 VanDerWaalsContact O-N 3.08Å; K494-V497 PolarHBondContact O-N 3.37Å; V497-T500 PolarHBondContact O-N 3.08Å; V497-Q501 WeakPolarHBondContact O-CB 3.34Å; V497-Q501 PolarHBondContact O-N 2.78Å; V497-L520 HydrophobicContact CG1-CD1 4.1Å; V497-H523 VanDerWaalsContact CG2-C 3.48Å; V497-H523 HydrophobicContact CG2-CB 3.63Å; V497-I524 HydrophobicContact CG1-CG1 4.19Å; V497-I524 HydrophobicContact CG2-CG1 4.03Å; V497-V527 HydrophobicContact CG2-CG2 3.67Å
498	S	96.9	Very high	92.8	Very high	77 Å²	77	70.4 Å²	70.4	54%	0.538	36%	0.363	S	S	.	.	H	α-helix	trans	-61.8	-45.1	179.8	-168.9	0	0	0	0	112.9	K494 Q495 Q496 Q501 E502	K494-S498 PolarHBondContact O-N 3.27Å; Q495-S498 PolarHBondContact O-N 3.46Å; Q496-S498 VanDerWaalsContact C-N 3.33Å; Q496-S498 PolarHBondContact O-N 2.99Å; S498-Q501 PolarHBondContact O-N 3.44Å; S498-E502 WeakPolarHBondContact O-CB 3.45Å; S498-E502 PolarHBondContact O-N 3.17Å
499	L	95.3	Very high	91.6	Very high	88 Å²	88	71.9 Å²	71.9	46%	0.461	38%	0.384	S	S	.	.	H	α-helix	trans	-70.7	-37.2	-179.5	-70.3	171.8	0	0	0	112.1	Q495 Q496 S503	Q495-L499 HydrophobicContact CG-CD1 3.98Å; Q495-L499 HydrophobicContact CG-CG 4.3Å; Q495-L499 WeakPolarHBondContact O-CB 3.36Å; Q495-L499 WeakPolarHBondContact O-CG 3.3Å; Q495-L499 PolarHBondContact O-N 2.89Å; Q496-L499 PolarHBondContact O-N 2.85Å; L499-S503 WeakPolarHBondContact O-CB 3.37Å; L499-S503 PolarHBondContact O-N 2.93Å; L499-S503 PolarHBondContact O-OG 3.13Å
500	T	92.1	Very high	90.4	Very high	15 Å²	15	76.9 Å²	76.9	9%	0.092	41%	0.406	C	S	.	.	H	α-helix	trans	-63.4	-49.5	171.2	-61.2	0	0	0	0	110.4	Q496 V497 E502 S503 L504 V519 L520 H523	Q496-T500 WeakPolarHBondContact O-CB 3.42Å; Q496-T500 PolarHBondContact O-N 3.43Å; Q496-T500 PolarHBondContact O-OG1 2.95Å; Q496-T500 VanDerWaalsContact O-OG1 3.09Å; V497-T500 PolarHBondContact O-N 3.08Å; T500-E502 VanDerWaalsContact C-N 3.33Å; T500-E502 PolarHBondContact O-N 2.99Å; T500-S503 WeakPolarHBondContact O-CA 3.45Å; T500-S503 WeakPolarHBondContact O-CB 3.4Å; T500-S503 PolarHBondContact O-N 2.84Å; T500-L504 HydrophobicContact CG2-CD1 3.61Å; T500-L504 WeakPolarHBondContact O-CD1 3.5Å; T500-L504 PolarHBondContact O-N 3.16Å; T500-V519 HydrophobicContact CG2-CG1 4.35Å; T500-L520 HydrophobicContact CG2-CB 3.79Å; T500-L520 HydrophobicContact CG2-CD1 3.93Å; T500-L520 HydrophobicContact CG2-CG 4.38Å; T500-H523 PolarHBondContact OG1-CE1 3.46Å; T500-H523 PolarHBondContact OG1-ND1 3.46Å
501	Q	92.9	Very high	89.2	Confident	80 Å²	80	83.4 Å²	83.4	37%	0.374	44%	0.442	S	S	.	.	H	α-helix	trans	-60.6	-40.6	178.7	-173.1	62.9	63.3	0	0	112.4	V497 S498 S503 L504 N505	V497-Q501 WeakPolarHBondContact O-CB 3.34Å; V497-Q501 PolarHBondContact O-N 2.78Å; S498-Q501 PolarHBondContact O-N 3.44Å; Q501-S503 VanDerWaalsContact C-N 3.28Å; Q501-S503 PolarHBondContact O-N 2.84Å; Q501-L504 PolarHBondContact O-N 2.84Å; Q501-N505 PolarHBondContact NE2-OD1 2.83Å; Q501-N505 WeakPolarHBondContact O-CB 3.28Å; Q501-N505 PolarHBondContact O-N 2.78Å; Q501-N505 PolarHBondContact O-OD1 3.32Å; Q501-N505 VanDerWaalsContact O-OD1 3.14Å
502	E	92.1	Very high	88.3	Confident	81 Å²	81	83.1 Å²	83.1	38%	0.379	43%	0.434	S	S	.	.	H	α-helix	trans	-62.8	-37.2	173.9	-162.3	-168.9	157.3	0	0	111.7	S498 T500 N505 R506	S498-E502 WeakPolarHBondContact O-CB 3.45Å; S498-E502 PolarHBondContact O-N 3.17Å; T500-E502 VanDerWaalsContact C-N 3.33Å; T500-E502 PolarHBondContact O-N 2.99Å; E502-N505 PolarHBondContact O-N 2.97Å; E502-R506 WeakPolarHBondContact O-CB 3.49Å; E502-R506 WeakPolarHBondContact O-CD 3.43Å; E502-R506 VanDerWaalsContact O-CG 3.24Å; E502-R506 WeakPolarHBondContact O-CG 3.43Å; E502-R506 PolarHBondContact O-N 2.6Å; E502-R506 IonicContact OE1-CZ 3.83Å; E502-R506 IonicContact OE1-NE 2.91Å; E502-R506 PolarHBondContact OE1-NE 3.43Å; E502-R506 IonicContact OE1-NH2 3.19Å; E502-R506 PolarHBondContact OE1-NH2 2.91Å
503	S	89.6	Confident	87.6	Confident	60 Å²	60	84.9 Å²	84.9	42%	0.42	44%	0.442	S	S	.	.	H	α-helix	trans	-66.8	-43.2	177.6	-56.8	0	0	0	0	112.1	L499 T500 Q501 R506 Q507	L499-S503 WeakPolarHBondContact O-CB 3.37Å; L499-S503 PolarHBondContact O-N 2.93Å; L499-S503 PolarHBondContact O-OG 3.13Å; T500-S503 WeakPolarHBondContact O-CA 3.45Å; T500-S503 WeakPolarHBondContact O-CB 3.4Å; T500-S503 PolarHBondContact O-N 2.84Å; Q501-S503 VanDerWaalsContact C-N 3.28Å; Q501-S503 PolarHBondContact O-N 2.84Å; S503-R506 PolarHBondContact O-N 3.47Å; S503-Q507 WeakPolarHBondContact O-CG 3.33Å; S503-Q507 PolarHBondContact O-N 3.11Å; S503-Q507 VanDerWaalsContact O-N 3.1Å
504	L	88.3	Confident	87.1	Confident	15 Å²	15	88.8 Å²	88.8	8%	0.079	47%	0.467	C	S	.	.	H	α-helix	trans	-61.4	-44.9	171.6	-81.8	83.5	0	0	0	111.1	T500 Q501 R506 Q507 G508 V512 C516 L517 L520	T500-L504 HydrophobicContact CG2-CD1 3.61Å; T500-L504 WeakPolarHBondContact O-CD1 3.5Å; T500-L504 PolarHBondContact O-N 3.16Å; Q501-L504 PolarHBondContact O-N 2.84Å; L504-R506 PolarHBondContact O-N 2.85Å; L504-Q507 PolarHBondContact O-N 2.85Å; L504-Q507 VanDerWaalsContact O-N 3.1Å; L504-G508 PolarHBondContact O-N 3.5Å; L504-V512 HydrophobicContact CD2-CG1 3.86Å; L504-V512 HydrophobicContact CG-CG1 4.33Å; L504-C516 HydrophobicContact CD1-CB 4.42Å; L504-C516 WeakPolarHBondContact CD1-SG 3.33Å; L504-L517 HydrophobicContact CD2-CD2 3.65Å; L504-L517 HydrophobicContact CD2-CG 4.38Å; L504-L520 HydrophobicContact CD2-CD2 4.32Å
505	N	87.1	Confident	86.8	Confident	113 Å²	113	85.4 Å²	85.4	60%	0.604	46%	0.459	S	S	*	.	H	α-helix	trans	-60.5	-32.3	178.3	-66.9	-3.1	0	0	0	112.3	Q501 E502	Q501-N505 PolarHBondContact NE2-OD1 2.83Å; Q501-N505 WeakPolarHBondContact O-CB 3.28Å; Q501-N505 PolarHBondContact O-N 2.78Å; Q501-N505 PolarHBondContact O-OD1 3.32Å; Q501-N505 VanDerWaalsContact O-OD1 3.14Å; E502-N505 PolarHBondContact O-N 2.97Å
506	R	86.5	Confident	86.3	Confident	193 Å²	193	81 Å²	81	73%	0.728	44%	0.441	S	S	*	.	H	α-helix	trans	-77.8	-25.8	176.1	-73.4	164.9	174.1	-124.7	9.4	113.8	E502 S503 L504 G508	E502-R506 WeakPolarHBondContact O-CB 3.49Å; E502-R506 WeakPolarHBondContact O-CD 3.43Å; E502-R506 VanDerWaalsContact O-CG 3.24Å; E502-R506 WeakPolarHBondContact O-CG 3.43Å; E502-R506 PolarHBondContact O-N 2.6Å; E502-R506 IonicContact OE1-CZ 3.83Å; E502-R506 IonicContact OE1-NE 2.91Å; E502-R506 PolarHBondContact OE1-NE 3.43Å; E502-R506 IonicContact OE1-NH2 3.19Å; E502-R506 PolarHBondContact OE1-NH2 2.91Å; S503-R506 PolarHBondContact O-N 3.47Å; L504-R506 PolarHBondContact O-N 2.85Å; R506-G508 VanDerWaalsContact C-N 3.33Å
507	Q	79.8	Confident	86.1	Confident	109 Å²	109	82.2 Å²	82.2	51%	0.509	45%	0.449	S	S	.	.	H	α-helix	trans	-74.2	-24.2	175	-75	174.4	-15.9	0	0	112.7	S503 L504	S503-Q507 WeakPolarHBondContact O-CG 3.33Å; S503-Q507 PolarHBondContact O-N 3.11Å; S503-Q507 VanDerWaalsContact O-N 3.1Å; L504-Q507 PolarHBondContact O-N 2.85Å; L504-Q507 VanDerWaalsContact O-N 3.1Å
508	G	71.5	Confident	85.9	Confident	33 Å²	33	86 Å²	86	34%	0.34	46%	0.464	S	S	.	.			trans	82.4	164.6	-177	0	0	0	0	0	112.9	L504 R506 E510	L504-G508 PolarHBondContact O-N 3.5Å; R506-G508 VanDerWaalsContact C-N 3.33Å; G508-E510 VanDerWaalsContact C-N 3.3Å; G508-E510 PolarHBondContact O-N 2.71Å
509	T	72.7	Confident	85.9	Confident	135 Å²	135	84.7 Å²	84.7	83%	0.828	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-13.2	-170.9	45.5	0	0	0	0	114.9
510	E	71.6	Confident	85.8	Confident	175 Å²	175	81.1 Å²	81.1	82%	0.818	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-19.5	-163.2	-60.3	-170.4	156.4	0	0	114.5	G508	G508-E510 VanDerWaalsContact C-N 3.3Å; G508-E510 PolarHBondContact O-N 2.71Å
511	N	72.8	Confident	86	Confident	150 Å²	150	85.4 Å²	85.4	80%	0.802	46%	0.457	S	S	*	.			trans	-149.7	72.5	175.1	-74.7	-77.7	0	0	0	111.5
512	V	79.5	Confident	86.2	Confident	51 Å²	51	86.2 Å²	86.2	31%	0.309	46%	0.46	S	S	.	.			trans	-81.6	120.6	173	-176.7	0	0	0	0	109.8	L504 L517	L504-V512 HydrophobicContact CD2-CG1 3.86Å; L504-V512 HydrophobicContact CG-CG1 4.33Å; V512-L517 HydrophobicContact CG1-CD1 4.04Å; V512-L517 HydrophobicContact CG1-CD2 4.19Å; V512-L517 HydrophobicContact CG1-CG 3.87Å
513	D	82.3	Confident	86.5	Confident	90 Å²	90	83.8 Å²	83.8	48%	0.481	45%	0.449	S	S	.	.			trans	-65.2	124.7	175.4	179.1	-2.6	0	0	0	110.9	A515 C516 L517	D513-A515 PolarHBondContact O-N 2.84Å; D513-A515 WeakPolarHBondContact OD1-CB 3.33Å; D513-A515 PolarHBondContact OD1-N 2.78Å; D513-C516 HydrophobicContact CB-CB 4.24Å; D513-C516 WeakPolarHBondContact O-CA 3.1Å; D513-C516 VanDerWaalsContact O-CB 3.25Å; D513-C516 WeakPolarHBondContact O-CB 3.4Å; D513-C516 PolarHBondContact O-N 2.69Å; D513-L517 PolarHBondContact O-N 3.47Å
514	P	88.5	Confident	86.9	Confident	87 Å²	87	84.3 Å²	84.3	57%	0.565	45%	0.446	S	S	*	.	H	α-helix	trans	-51	-37	173.7	-28.4	36.2	0	0	0	114.2	C516 L517 E518	P514-C516 PolarHBondContact O-N 3.05Å; P514-L517 WeakPolarHBondContact O-CB 3.44Å; P514-L517 PolarHBondContact O-N 3.44Å; P514-L517 VanDerWaalsContact O-N 3.1Å; P514-E518 PolarHBondContact O-N 3.3Å
515	A	90.9	Very high	87.3	Confident	40 Å²	40	88.7 Å²	88.7	33%	0.331	47%	0.466	S	S	.	.	H	α-helix	trans	-64.2	-28	177.6	0	0	0	0	0	112.3	D513 V519	D513-A515 PolarHBondContact O-N 2.84Å; D513-A515 WeakPolarHBondContact OD1-CB 3.33Å; D513-A515 PolarHBondContact OD1-N 2.78Å; A515-V519 WeakPolarHBondContact O-CG2 3.34Å; A515-V519 PolarHBondContact O-N 3.25Å
516	C	88.8	Confident	87.9	Confident	25 Å²	25	86 Å²	86	17%	0.169	45%	0.447	C	S	.	.	H	α-helix	trans	-73.1	-34.3	175.5	-151.6	0	0	0	0	111.9	L504 D513 P514 L520	L504-C516 HydrophobicContact CD1-CB 4.42Å; L504-C516 WeakPolarHBondContact CD1-SG 3.33Å; D513-C516 HydrophobicContact CB-CB 4.24Å; D513-C516 WeakPolarHBondContact O-CA 3.1Å; D513-C516 VanDerWaalsContact O-CB 3.25Å; D513-C516 WeakPolarHBondContact O-CB 3.4Å; D513-C516 PolarHBondContact O-N 2.69Å; P514-C516 PolarHBondContact O-N 3.05Å; C516-L520 PolarHBondContact O-N 2.91Å
517	L	91.6	Very high	88.4	Confident	77 Å²	77	77.8 Å²	77.8	40%	0.403	42%	0.419	S	S	.	.	H	α-helix	trans	-70.4	-37.3	172.4	-67.4	167.4	0	0	0	111.8	L504 V512 D513 P514 L520 N521	L504-L517 HydrophobicContact CD2-CD2 3.65Å; L504-L517 HydrophobicContact CD2-CG 4.38Å; V512-L517 HydrophobicContact CG1-CD1 4.04Å; V512-L517 HydrophobicContact CG1-CD2 4.19Å; V512-L517 HydrophobicContact CG1-CG 3.87Å; D513-L517 PolarHBondContact O-N 3.47Å; P514-L517 WeakPolarHBondContact O-CB 3.44Å; P514-L517 PolarHBondContact O-N 3.44Å; P514-L517 VanDerWaalsContact O-N 3.1Å; L517-L520 PolarHBondContact O-N 3.26Å; L517-N521 PolarHBondContact O-N 3.17Å; L517-N521 PolarHBondContact O-ND2 3.24Å
518	E	94.2	Very high	89.3	Confident	111 Å²	111	77.3 Å²	77.3	52%	0.519	42%	0.42	S	S	.	.	H	α-helix	trans	-62.8	-43.2	172.4	-71.3	179.1	-168.7	0	0	111.9	P514 L520 N521 H522	P514-E518 PolarHBondContact O-N 3.3Å; E518-L520 PolarHBondContact O-N 3.5Å; E518-N521 PolarHBondContact O-N 2.85Å; E518-H522 WeakPolarHBondContact O-CB 3.47Å; E518-H522 PolarHBondContact O-N 2.81Å
519	V	95	Very high	90.5	Very high	50 Å²	50	80.1 Å²	80.1	30%	0.303	42%	0.424	S	S	.	.	H	α-helix	trans	-60.9	-41.8	172.8	167.8	0	0	0	0	111.7	T500 A515 H522 H523	T500-V519 HydrophobicContact CG2-CG1 4.35Å; A515-V519 WeakPolarHBondContact O-CG2 3.34Å; A515-V519 PolarHBondContact O-N 3.25Å; V519-H522 PolarHBondContact O-N 3.08Å; V519-H523 VanDerWaalsContact CG1-CE1 3.47Å; V519-H523 WeakPolarHBondContact CG1-CE1 3.41Å; V519-H523 PolarHBondContact O-N 2.87Å
520	L	94.7	Very high	91.7	Very high	14 Å²	14	74.2 Å²	74.2	7%	0.073	39%	0.389	C	S	.	.	H	α-helix	trans	-62.8	-45.4	176	-177.5	58.3	0	0	0	111.9	V497 T500 L504 C516 L517 E518 H522 H523 I524	V497-L520 HydrophobicContact CG1-CD1 4.1Å; T500-L520 HydrophobicContact CG2-CB 3.79Å; T500-L520 HydrophobicContact CG2-CD1 3.93Å; T500-L520 HydrophobicContact CG2-CG 4.38Å; L504-L520 HydrophobicContact CD2-CD2 4.32Å; C516-L520 PolarHBondContact O-N 2.91Å; L517-L520 PolarHBondContact O-N 3.26Å; E518-L520 PolarHBondContact O-N 3.5Å; L520-H522 VanDerWaalsContact C-N 3.33Å; L520-H522 PolarHBondContact O-N 2.84Å; L520-H523 PolarHBondContact O-N 3.23Å; L520-I524 HydrophobicContact CD1-CD1 4.21Å; L520-I524 HydrophobicContact CD1-CG1 4.47Å; L520-I524 HydrophobicContact CG-CD1 4.01Å; L520-I524 VanDerWaalsContact O-CG1 3.32Å; L520-I524 WeakPolarHBondContact O-CG1 3.36Å; L520-I524 PolarHBondContact O-N 3.39Å
521	N	96.4	Very high	93	Very high	105 Å²	105	68.6 Å²	68.6	56%	0.561	36%	0.363	S	S	*	.	H	α-helix	trans	-60.8	-40.8	175.6	-74	-35.6	0	0	0	112	L517 E518 I524 H525	L517-N521 PolarHBondContact O-N 3.17Å; L517-N521 PolarHBondContact O-ND2 3.24Å; E518-N521 PolarHBondContact O-N 2.85Å; N521-I524 PolarHBondContact O-N 3.5Å; N521-H525 PolarHBondContact O-N 3.09Å
522	H	97.3	Very high	94.2	Very high	97 Å²	97	65 Å²	65	45%	0.449	35%	0.346	S	S	.	.	H	α-helix	trans	-64.3	-42.5	174.6	-179.9	63.2	0	0	0	112.3	E518 V519 L520 I524 H525 R526	E518-H522 WeakPolarHBondContact O-CB 3.47Å; E518-H522 PolarHBondContact O-N 2.81Å; V519-H522 PolarHBondContact O-N 3.08Å; L520-H522 VanDerWaalsContact C-N 3.33Å; L520-H522 PolarHBondContact O-N 2.84Å; H522-I524 PolarHBondContact O-N 2.9Å; H522-H525 PolarHBondContact O-N 3.11Å; H522-R526 VanDerWaalsContact NE2-CD 3.35Å; H522-R526 WeakPolarHBondContact NE2-CD 3.44Å; H522-R526 WeakPolarHBondContact O-CG 3.33Å; H522-R526 PolarHBondContact O-N 2.87Å
523	H	97.8	Very high	95	Very high	29 Å²	29	67.2 Å²	67.2	13%	0.134	36%	0.356	C	S	.	.	H	α-helix	trans	-64.3	-38.2	174.9	-67.9	164.6	0	0	0	112.2	Q496 V497 T500 V519 L520 R526 V527	Q496-H523 HydrophobicContact CB-CB 4.47Å; V497-H523 VanDerWaalsContact CG2-C 3.48Å; V497-H523 HydrophobicContact CG2-CB 3.63Å; T500-H523 PolarHBondContact OG1-CE1 3.46Å; T500-H523 PolarHBondContact OG1-ND1 3.46Å; V519-H523 VanDerWaalsContact CG1-CE1 3.47Å; V519-H523 WeakPolarHBondContact CG1-CE1 3.41Å; V519-H523 PolarHBondContact O-N 2.87Å; L520-H523 PolarHBondContact O-N 3.23Å; H523-R526 PolarHBondContact O-N 3.25Å; H523-V527 WeakPolarHBondContact O-CG2 3.27Å; H523-V527 PolarHBondContact O-N 3.48Å
524	I	97.4	Very high	95.8	Very high	72 Å²	72	64.8 Å²	64.8	37%	0.369	34%	0.34	S	S	.	.	H	α-helix	trans	-64.6	-42.6	174.5	-68.7	165.3	0	0	0	111	V497 L520 N521 H522 R526 V527 N528	V497-I524 HydrophobicContact CG1-CG1 4.19Å; V497-I524 HydrophobicContact CG2-CG1 4.03Å; L520-I524 HydrophobicContact CD1-CD1 4.21Å; L520-I524 HydrophobicContact CD1-CG1 4.47Å; L520-I524 HydrophobicContact CG-CD1 4.01Å; L520-I524 VanDerWaalsContact O-CG1 3.32Å; L520-I524 WeakPolarHBondContact O-CG1 3.36Å; L520-I524 PolarHBondContact O-N 3.39Å; N521-I524 PolarHBondContact O-N 3.5Å; H522-I524 PolarHBondContact O-N 2.9Å; I524-R526 VanDerWaalsContact C-N 3.33Å; I524-R526 PolarHBondContact O-N 2.98Å; I524-V527 PolarHBondContact O-N 3.47Å; I524-N528 PolarHBondContact O-N 2.84Å
525	H	97.8	Very high	96.2	Very high	106 Å²	106	64 Å²	64	49%	0.491	33%	0.331	S	S	.	.	H	α-helix	trans	-57.9	-46.4	173.8	-168.2	-83	0	0	0	111.4	N521 H522 V527 N528 E529	N521-H525 PolarHBondContact O-N 3.09Å; H522-H525 PolarHBondContact O-N 3.11Å; H525-V527 VanDerWaalsContact C-N 3.31Å; H525-V527 PolarHBondContact O-N 2.85Å; H525-N528 WeakPolarHBondContact O-CB 3.39Å; H525-N528 PolarHBondContact O-N 2.82Å; H525-E529 IonicContact CE1-OE1 3.81Å; H525-E529 PolarHBondContact CE1-OE1 3.48Å; H525-E529 VanDerWaalsContact CE1-OE1 3.29Å; H525-E529 IonicContact CE1-OE2 2.83Å; H525-E529 IonicContact CG-OE2 2.83Å; H525-E529 IonicContact ND1-OE1 2.83Å; H525-E529 PolarHBondContact ND1-OE1 2.74Å; H525-E529 IonicContact ND1-OE2 3.52Å; H525-E529 PolarHBondContact ND1-OE2 3.32Å; H525-E529 PolarHBondContact O-N 2.91Å
526	R	97.7	Very high	96.6	Very high	56 Å²	56	68.1 Å²	68.1	21%	0.211	34%	0.343	C	S	.	.	H	α-helix	trans	-64.7	-28.8	177.9	-72.1	-176.3	66	169.8	5.2	114.3	H522 H523 I524 E529 A530	H522-R526 VanDerWaalsContact NE2-CD 3.35Å; H522-R526 WeakPolarHBondContact NE2-CD 3.44Å; H522-R526 WeakPolarHBondContact O-CG 3.33Å; H522-R526 PolarHBondContact O-N 2.87Å; H523-R526 PolarHBondContact O-N 3.25Å; I524-R526 VanDerWaalsContact C-N 3.33Å; I524-R526 PolarHBondContact O-N 2.98Å; R526-E529 WeakPolarHBondContact CA-OE2 3.49Å; R526-A530 WeakPolarHBondContact O-CB 3.43Å; R526-A530 PolarHBondContact O-N 2.8Å
527	V	98.3	Very high	97	Very high	22 Å²	22	67.8 Å²	67.8	13%	0.133	34%	0.342	C	S	.	.	H	α-helix	trans	-67.5	-38.3	170.6	169	0	0	0	0	111.2	H490 A493 K494 V497 H523 I524 H525 E531	H490-V527 PolarHBondContact CE1-O 3.16Å; A493-V527 HydrophobicContact CB-CB 4.49Å; A493-V527 HydrophobicContact CB-CG2 3.67Å; A493-V527 WeakPolarHBondContact O-CG2 3.47Å; K494-V527 HydrophobicContact CG-CG1 3.93Å; K494-V527 HydrophobicContact CG-CG2 4.03Å; V497-V527 HydrophobicContact CG2-CG2 3.67Å; H523-V527 WeakPolarHBondContact O-CG2 3.27Å; H523-V527 PolarHBondContact O-N 3.48Å; I524-V527 PolarHBondContact O-N 3.47Å; H525-V527 VanDerWaalsContact C-N 3.31Å; H525-V527 PolarHBondContact O-N 2.85Å; V527-E531 WeakPolarHBondContact O-CB 3.42Å; V527-E531 PolarHBondContact O-N 3.44Å
528	N	97.6	Very high	97.3	Very high	99 Å²	99	67.7 Å²	67.7	53%	0.529	34%	0.339	S	S	.	.	H	α-helix	trans	-70.7	-43.5	177.5	-63.8	-25.1	0	0	0	111.5	I524 H525 E531 V532	I524-N528 PolarHBondContact O-N 2.84Å; H525-N528 WeakPolarHBondContact O-CB 3.39Å; H525-N528 PolarHBondContact O-N 2.82Å; N528-E531 PolarHBondContact O-N 3.43Å; N528-V532 WeakPolarHBondContact O-CG2 3.47Å; N528-V532 PolarHBondContact O-N 2.95Å; N528-V532 VanDerWaalsContact O-N 3.08Å
529	E	97.8	Very high	97.5	Very high	92 Å²	92	67 Å²	67	43%	0.43	34%	0.339	S	S	.	.	H	α-helix	trans	-58	-49	172.8	-69.2	170.1	123.3	0	0	111.2	H525 R526 E531 V532 D533	H525-E529 IonicContact CE1-OE1 3.81Å; H525-E529 PolarHBondContact CE1-OE1 3.48Å; H525-E529 VanDerWaalsContact CE1-OE1 3.29Å; H525-E529 IonicContact CE1-OE2 2.83Å; H525-E529 IonicContact CG-OE2 2.83Å; H525-E529 IonicContact ND1-OE1 2.83Å; H525-E529 PolarHBondContact ND1-OE1 2.74Å; H525-E529 IonicContact ND1-OE2 3.52Å; H525-E529 PolarHBondContact ND1-OE2 3.32Å; H525-E529 PolarHBondContact O-N 2.91Å; R526-E529 WeakPolarHBondContact CA-OE2 3.49Å; E529-E531 VanDerWaalsContact C-N 3.33Å; E529-E531 PolarHBondContact O-N 2.83Å; E529-V532 PolarHBondContact O-N 2.93Å; E529-V532 VanDerWaalsContact O-N 3.14Å; E529-D533 PolarHBondContact O-N 3.28Å
530	A	98.1	Very high	97.6	Very high	11 Å²	11	68 Å²	68	9%	0.091	34%	0.34	C	S	.	.	H	α-helix	trans	-66	-31.1	179.6	0	0	0	0	0	113.4	H490 A493 R526 R534	H490-A530 HydrophobicContact CB-CB 4.01Å; A493-A530 HydrophobicContact CB-CB 4.4Å; R526-A530 WeakPolarHBondContact O-CB 3.43Å; R526-A530 PolarHBondContact O-N 2.8Å; A530-R534 WeakPolarHBondContact O-CB 3.48Å; A530-R534 PolarHBondContact O-N 2.95Å
531	E	97.9	Very high	97.7	Very high	56 Å²	56	69.8 Å²	69.8	26%	0.262	35%	0.348	S	S	.	.	H	α-helix	trans	-68.1	-38.2	171.8	-178.5	60.4	-164.2	0	0	111.9	H490 V527 N528 E529 R534 L535	H490-E531 IonicContact CD2-OE2 3.34Å; H490-E531 PolarHBondContact CD2-OE2 3.28Å; H490-E531 IonicContact CE1-OE2 2.75Å; H490-E531 PolarHBondContact CE1-OE2 3.48Å; H490-E531 IonicContact NE2-OE2 3.7Å; H490-E531 PolarHBondContact NE2-OE2 2.89Å; V527-E531 WeakPolarHBondContact O-CB 3.42Å; V527-E531 PolarHBondContact O-N 3.44Å; N528-E531 PolarHBondContact O-N 3.43Å; E529-E531 VanDerWaalsContact C-N 3.33Å; E529-E531 PolarHBondContact O-N 2.83Å; E531-R534 PolarHBondContact O-N 2.68Å; E531-R534 IonicContact OE1-CZ 3.19Å; E531-R534 IonicContact OE1-NE 3.66Å; E531-R534 PolarHBondContact OE1-NE 2.88Å; E531-R534 IonicContact OE1-NH2 2.65Å; E531-R534 PolarHBondContact OE1-NH2 3.24Å; E531-R534 IonicContact OE2-CZ 2.74Å; E531-R534 IonicContact OE2-NE 2.76Å; E531-R534 PolarHBondContact OE2-NE 3.01Å; E531-R534 IonicContact OE2-NH2 3.01Å; E531-L535 HydrophobicContact CG-CD1 4.03Å; E531-L535 WeakPolarHBondContact O-CB 3.34Å; E531-L535 VanDerWaalsContact O-CG 3.3Å; E531-L535 WeakPolarHBondContact O-CG 3.42Å; E531-L535 PolarHBondContact O-N 3.14Å
532	V	98.3	Very high	97.8	Very high	74 Å²	74	70.6 Å²	70.6	45%	0.448	35%	0.346	S	S	.	.	H	α-helix	trans	-64.7	-48.1	175	171.6	0	0	0	0	110.6	N528 E529 R534 L535 Q536	N528-V532 WeakPolarHBondContact O-CG2 3.47Å; N528-V532 PolarHBondContact O-N 2.95Å; N528-V532 VanDerWaalsContact O-N 3.08Å; E529-V532 PolarHBondContact O-N 2.93Å; E529-V532 VanDerWaalsContact O-N 3.14Å; V532-R534 VanDerWaalsContact C-N 3.28Å; V532-R534 PolarHBondContact O-N 2.83Å; V532-L535 PolarHBondContact O-N 3.38Å; V532-Q536 HydrophobicContact CG1-CG 4.44Å; V532-Q536 WeakPolarHBondContact O-CG 3.28Å; V532-Q536 PolarHBondContact O-N 3.4Å
533	D	97.2	Very high	97.8	Very high	98 Å²	98	70.8 Å²	70.8	52%	0.524	34%	0.343	S	S	.	.	H	α-helix	trans	-59	-40.2	175	-78	-6.9	0	0	0	112	E529 S537	E529-D533 PolarHBondContact O-N 3.28Å; D533-S537 WeakPolarHBondContact O-CB 3.35Å; D533-S537 PolarHBondContact O-N 2.89Å; D533-S537 PolarHBondContact O-OG 3.47Å
534	R	98	Very high	97.8	Very high	39 Å²	39	69.6 Å²	69.6	15%	0.147	34%	0.338	C	S	.	.	H	α-helix	trans	-63.7	-45.9	176.6	-166.8	-161.5	70.8	63.1	6.1	111.5	F483 A486 N487 A530 E531 V532 S537 E538	F483-R534 HydrophobicContact CE2-CG 4.16Å; A486-R534 HydrophobicContact CB-CB 4.25Å; N487-R534 VanDerWaalsContact OD1-CD 3.25Å; N487-R534 WeakPolarHBondContact OD1-CD 3.27Å; N487-R534 WeakPolarHBondContact OD1-CG 3.38Å; A530-R534 WeakPolarHBondContact O-CB 3.48Å; A530-R534 PolarHBondContact O-N 2.95Å; E531-R534 PolarHBondContact O-N 2.68Å; E531-R534 IonicContact OE1-CZ 3.19Å; E531-R534 IonicContact OE1-NE 3.66Å; E531-R534 PolarHBondContact OE1-NE 2.88Å; E531-R534 IonicContact OE1-NH2 2.65Å; E531-R534 PolarHBondContact OE1-NH2 3.24Å; E531-R534 IonicContact OE2-CZ 2.74Å; E531-R534 IonicContact OE2-NE 2.76Å; E531-R534 PolarHBondContact OE2-NE 3.01Å; E531-R534 IonicContact OE2-NH2 3.01Å; V532-R534 VanDerWaalsContact C-N 3.28Å; V532-R534 PolarHBondContact O-N 2.83Å; R534-S537 PolarHBondContact O-OG 3.29Å; R534-E538 IonicContact CZ-OE2 2.66Å; R534-E538 IonicContact NH1-OE2 3.35Å; R534-E538 PolarHBondContact NH1-OE2 3.1Å; R534-E538 IonicContact NH2-OE2 3.36Å; R534-E538 VanDerWaalsContact O-CB 3.27Å; R534-E538 WeakPolarHBondContact O-CB 3.39Å; R534-E538 PolarHBondContact O-N 3.16Å
535	L	98	Very high	97.8	Very high	72 Å²	72	68 Å²	68	38%	0.377	33%	0.333	S	S	.	.	H	α-helix	trans	-68.3	-37.8	177.6	-74	167.8	0	0	0	112.7	E531 V532 N539	E531-L535 HydrophobicContact CG-CD1 4.03Å; E531-L535 WeakPolarHBondContact O-CB 3.34Å; E531-L535 VanDerWaalsContact O-CG 3.3Å; E531-L535 WeakPolarHBondContact O-CG 3.42Å; E531-L535 PolarHBondContact O-N 3.14Å; V532-L535 PolarHBondContact O-N 3.38Å; L535-N539 PolarHBondContact O-N 2.94Å; L535-N539 VanDerWaalsContact O-N 3.13Å; L535-N539 PolarHBondContact O-ND2 3Å
536	Q	97.9	Very high	97.8	Very high	125 Å²	125	68 Å²	68	58%	0.584	33%	0.333	S	S	*	.	H	α-helix	trans	-64.9	-48.6	175.1	-72.3	-176.7	26.8	0	0	111.2	V532 E538 N539 E540	V532-Q536 HydrophobicContact CG1-CG 4.44Å; V532-Q536 WeakPolarHBondContact O-CG 3.28Å; V532-Q536 PolarHBondContact O-N 3.4Å; Q536-E538 PolarHBondContact O-N 3.3Å; Q536-N539 PolarHBondContact O-N 3.28Å; Q536-E540 WeakPolarHBondContact O-CB 3.47Å; Q536-E540 PolarHBondContact O-N 3.29Å
537	S	97.2	Very high	97.8	Very high	19 Å²	19	69.6 Å²	69.6	13%	0.133	34%	0.343	C	S	.	.	H	α-helix	trans	-68.3	-30.8	179	56.1	0	0	0	0	113.4	A486 D533 R534 H541	A486-S537 WeakPolarHBondContact CB-OG 3.27Å; D533-S537 WeakPolarHBondContact O-CB 3.35Å; D533-S537 PolarHBondContact O-N 2.89Å; D533-S537 PolarHBondContact O-OG 3.47Å; R534-S537 PolarHBondContact O-OG 3.29Å; S537-H541 VanDerWaalsContact O-CB 3.24Å; S537-H541 WeakPolarHBondContact O-CB 3.39Å; S537-H541 PolarHBondContact O-N 2.9Å
538	E	98.2	Very high	97.8	Very high	75 Å²	75	69.7 Å²	69.7	35%	0.35	34%	0.344	S	S	.	.	H	α-helix	trans	-62	-49.5	170.6	-168.5	177.9	156.9	0	0	111.7	F483 R534 Q536 K542	F483-E538 HydrophobicContact CD2-CB 3.81Å; F483-E538 HydrophobicContact CD2-CG 4.41Å; F483-E538 HydrophobicContact CE2-CB 3.49Å; F483-E538 VanDerWaalsContact CE2-CB 3.49Å; F483-E538 HydrophobicContact CE2-CG 3.75Å; F483-E538 HydrophobicContact CZ-CB 4.16Å; F483-E538 HydrophobicContact CZ-CG 3.9Å; R534-E538 IonicContact CZ-OE2 2.66Å; R534-E538 IonicContact NH1-OE2 3.35Å; R534-E538 PolarHBondContact NH1-OE2 3.1Å; R534-E538 IonicContact NH2-OE2 3.36Å; R534-E538 VanDerWaalsContact O-CB 3.27Å; R534-E538 WeakPolarHBondContact O-CB 3.39Å; R534-E538 PolarHBondContact O-N 3.16Å; Q536-E538 PolarHBondContact O-N 3.3Å; E538-K542 VanDerWaalsContact O-CB 3.29Å; E538-K542 WeakPolarHBondContact O-CB 3.17Å; E538-K542 PolarHBondContact O-N 3.09Å
539	N	98.1	Very high	97.8	Very high	96 Å²	96	70 Å²	70	51%	0.513	34%	0.342	S	S	.	.	H	α-helix	trans	-65.4	-40.8	179.5	-78.2	-60	0	0	0	112.1	L535 Q536 K542 R543	L535-N539 PolarHBondContact O-N 2.94Å; L535-N539 VanDerWaalsContact O-N 3.13Å; L535-N539 PolarHBondContact O-ND2 3Å; Q536-N539 PolarHBondContact O-N 3.28Å; N539-K542 PolarHBondContact O-N 2.77Å; N539-R543 WeakPolarHBondContact O-CB 3.35Å; N539-R543 PolarHBondContact O-N 2.9Å
540	E	97.1	Very high	97.8	Very high	71 Å²	71	71.4 Å²	71.4	33%	0.332	35%	0.349	S	S	.	.	H	α-helix	trans	-67.7	-43.9	177.9	177.3	60.3	-178.2	0	0	112	Q536 K542 R543 I544	Q536-E540 WeakPolarHBondContact O-CB 3.47Å; Q536-E540 PolarHBondContact O-N 3.29Å; E540-K542 VanDerWaalsContact C-N 3.35Å; E540-K542 PolarHBondContact O-N 2.79Å; E540-R543 VanDerWaalsContact CD-NH2 3.3Å; E540-R543 WeakPolarHBondContact O-CB 3.23Å; E540-R543 PolarHBondContact O-N 2.86Å; E540-R543 IonicContact OE1-CZ 2.93Å; E540-R543 IonicContact OE1-NE 2.72Å; E540-R543 IonicContact OE1-NH2 2.79Å; E540-R543 PolarHBondContact OE1-NH2 2.76Å; E540-R543 IonicContact OE2-CZ 3.09Å; E540-R543 IonicContact OE2-NE 3.63Å; E540-R543 PolarHBondContact OE2-NE 3.47Å; E540-R543 IonicContact OE2-NH2 3.97Å; E540-R543 PolarHBondContact OE2-NH2 3.49Å; E540-I544 HydrophobicContact CG-CD1 3.97Å; E540-I544 WeakPolarHBondContact O-CG1 3.39Å; E540-I544 PolarHBondContact O-N 2.83Å; E540-I544 WeakPolarHBondContact OE1-CD1 3.42Å
541	H	98.1	Very high	97.7	Very high	51 Å²	51	71.7 Å²	71.7	24%	0.236	35%	0.351	C	S	.	.	H	α-helix	trans	-57.3	-48.4	173.1	172.7	-122.3	0	0	0	111.2	A479 F483 S537 R543 I544 S545	A479-H541 HydrophobicContact CB-CB 4.1Å; F483-H541 HydrophobicContact CB-CB 4.46Å; S537-H541 VanDerWaalsContact O-CB 3.24Å; S537-H541 WeakPolarHBondContact O-CB 3.39Å; S537-H541 PolarHBondContact O-N 2.9Å; H541-R543 PolarHBondContact O-N 3.38Å; H541-I544 PolarHBondContact O-N 3.07Å; H541-S545 PolarHBondContact O-N 3.03Å; H541-S545 PolarHBondContact O-OG 2.6Å
542	K	97.9	Very high	97.7	Very high	122 Å²	122	72 Å²	72	53%	0.53	36%	0.357	S	S	.	.	H	α-helix	trans	-58.7	-42.8	176.3	-178	-180	-179.8	-179.3	0	112.6	E538 N539 E540 S545 Q546	E538-K542 VanDerWaalsContact O-CB 3.29Å; E538-K542 WeakPolarHBondContact O-CB 3.17Å; E538-K542 PolarHBondContact O-N 3.09Å; N539-K542 PolarHBondContact O-N 2.77Å; E540-K542 VanDerWaalsContact C-N 3.35Å; E540-K542 PolarHBondContact O-N 2.79Å; K542-S545 PolarHBondContact O-N 2.6Å; K542-Q546 WeakPolarHBondContact O-CG 3.27Å; K542-Q546 PolarHBondContact O-N 3.02Å; K542-Q546 VanDerWaalsContact O-N 3.15Å
543	R	98.2	Very high	97.7	Very high	102 Å²	102	74.8 Å²	74.8	39%	0.385	36%	0.359	S	S	.	.	H	α-helix	trans	-61.1	-44.8	176.8	-170.1	-166.1	64.5	66.6	1.5	111.5	N539 E540 H541 Q546 Q547	N539-R543 WeakPolarHBondContact O-CB 3.35Å; N539-R543 PolarHBondContact O-N 2.9Å; E540-R543 VanDerWaalsContact CD-NH2 3.3Å; E540-R543 WeakPolarHBondContact O-CB 3.23Å; E540-R543 PolarHBondContact O-N 2.86Å; E540-R543 IonicContact OE1-CZ 2.93Å; E540-R543 IonicContact OE1-NE 2.72Å; E540-R543 IonicContact OE1-NH2 2.79Å; E540-R543 PolarHBondContact OE1-NH2 2.76Å; E540-R543 IonicContact OE2-CZ 3.09Å; E540-R543 IonicContact OE2-NE 3.63Å; E540-R543 PolarHBondContact OE2-NE 3.47Å; E540-R543 IonicContact OE2-NH2 3.97Å; E540-R543 PolarHBondContact OE2-NH2 3.49Å; H541-R543 PolarHBondContact O-N 3.38Å; R543-Q546 PolarHBondContact O-N 3.14Å; R543-Q547 PolarHBondContact O-N 3.44Å
544	I	97.1	Very high	97.7	Very high	3 Å²	3	74 Å²	74	2%	0.015	36%	0.355	C	S	.	.	H	α-helix	trans	-74.2	-34.7	-179.9	-55.2	156.6	0	0	0	111.2	E475 A476 A479 E540 H541 Q546 Q547 V548	E475-I544 HydrophobicContact CB-CG2 4.26Å; E475-I544 HydrophobicContact CG-CD1 4.02Å; A476-I544 HydrophobicContact CB-CG2 3.9Å; A479-I544 HydrophobicContact CB-CD1 3.51Å; E540-I544 HydrophobicContact CG-CD1 3.97Å; E540-I544 WeakPolarHBondContact O-CG1 3.39Å; E540-I544 PolarHBondContact O-N 2.83Å; E540-I544 WeakPolarHBondContact OE1-CD1 3.42Å; H541-I544 PolarHBondContact O-N 3.07Å; I544-Q546 VanDerWaalsContact C-N 3.28Å; I544-Q546 PolarHBondContact O-N 3Å; I544-Q547 WeakPolarHBondContact O-CB 3.22Å; I544-Q547 PolarHBondContact O-N 2.88Å; I544-V548 PolarHBondContact O-N 3.39Å
545	S	98	Very high	97.7	Very high	39 Å²	39	73 Å²	73	27%	0.273	35%	0.353	S	S	.	.	H	α-helix	trans	-56.3	-42.4	171.5	-57.5	0	0	0	0	111.9	H541 K542 Q547 V548 E549	H541-S545 PolarHBondContact O-N 3.03Å; H541-S545 PolarHBondContact O-OG 2.6Å; K542-S545 PolarHBondContact O-N 2.6Å; S545-Q547 VanDerWaalsContact C-N 3.31Å; S545-Q547 PolarHBondContact O-N 2.92Å; S545-V548 WeakPolarHBondContact O-CB 3.38Å; S545-V548 PolarHBondContact O-N 3.45Å; S545-E549 PolarHBondContact O-N 2.86Å
546	Q	97.8	Very high	97.7	Very high	105 Å²	105	72.9 Å²	72.9	49%	0.491	36%	0.358	S	S	.	.	H	α-helix	trans	-63	-35.6	175.2	-70.4	173	-17.4	0	0	112.6	K542 R543 I544 E549 E550	K542-Q546 WeakPolarHBondContact O-CG 3.27Å; K542-Q546 PolarHBondContact O-N 3.02Å; K542-Q546 VanDerWaalsContact O-N 3.15Å; R543-Q546 PolarHBondContact O-N 3.14Å; I544-Q546 VanDerWaalsContact C-N 3.28Å; I544-Q546 PolarHBondContact O-N 3Å; Q546-E549 PolarHBondContact O-N 2.72Å; Q546-E550 WeakPolarHBondContact O-CB 3.33Å; Q546-E550 PolarHBondContact O-N 3.48Å
547	Q	97.5	Very high	97.7	Very high	90 Å²	90	71.4 Å²	71.4	42%	0.421	36%	0.358	S	S	.	.	H	α-helix	trans	-68.5	-36.3	173.7	-67.2	-176.3	-48.9	0	0	112.5	R543 I544 S545 E550 A551	R543-Q547 PolarHBondContact O-N 3.44Å; I544-Q547 WeakPolarHBondContact O-CB 3.22Å; I544-Q547 PolarHBondContact O-N 2.88Å; S545-Q547 VanDerWaalsContact C-N 3.31Å; S545-Q547 PolarHBondContact O-N 2.92Å; Q547-E550 PolarHBondContact O-N 3.18Å; Q547-A551 WeakPolarHBondContact O-CB 3.3Å; Q547-A551 PolarHBondContact O-N 3.44Å
548	V	97.9	Very high	97.7	Very high	24 Å²	24	72.1 Å²	72.1	15%	0.145	36%	0.36	C	S	.	.	H	α-helix	trans	-61.9	-45.9	172.1	172.5	0	0	0	0	110.9	A472 Q473 A476 I544 S545 E550 T552	A472-V548 HydrophobicContact CB-CG2 3.72Å; A472-V548 VanDerWaalsContact O-CG2 3.31Å; A472-V548 WeakPolarHBondContact O-CG2 3.47Å; Q473-V548 HydrophobicContact CG-CG1 3.72Å; Q473-V548 HydrophobicContact CG-CG2 4.13Å; A476-V548 HydrophobicContact CB-CG2 3.8Å; I544-V548 PolarHBondContact O-N 3.39Å; S545-V548 WeakPolarHBondContact O-CB 3.38Å; S545-V548 PolarHBondContact O-N 3.45Å; V548-E550 VanDerWaalsContact C-N 3.34Å; V548-E550 PolarHBondContact O-N 3.18Å; V548-T552 VanDerWaalsContact O-CB 3.24Å; V548-T552 WeakPolarHBondContact O-CB 3.17Å; V548-T552 PolarHBondContact O-N 3.08Å; V548-T552 PolarHBondContact O-OG1 3.32Å
549	E	97.4	Very high	97.6	Very high	106 Å²	106	73.1 Å²	73.1	50%	0.495	37%	0.365	S	S	.	.	H	α-helix	trans	-60.4	-43	175.4	-68.9	177.7	-163.9	0	0	112.1	S545 Q546 T552 R553	S545-E549 PolarHBondContact O-N 2.86Å; Q546-E549 PolarHBondContact O-N 2.72Å; E549-T552 PolarHBondContact O-N 3.04Å; E549-R553 VanDerWaalsContact CB-NH2 3.31Å; E549-R553 WeakPolarHBondContact O-CB 3.42Å; E549-R553 VanDerWaalsContact O-CG 3.29Å; E549-R553 WeakPolarHBondContact O-CG 3.32Å; E549-R553 PolarHBondContact O-N 3.38Å; E549-R553 PolarHBondContact O-NE 2.99Å; E549-R553 IonicContact OE2-NH2 3.64Å; E549-R553 PolarHBondContact OE2-NH2 2.68Å
550	E	97.4	Very high	97.5	Very high	122 Å²	122	73 Å²	73	57%	0.57	37%	0.371	S	S	*	.	H	α-helix	trans	-66.6	-47.1	-179.3	-172	-177.7	165.6	0	0	112.3	Q546 Q547 V548 T552 R553 N554	Q546-E550 WeakPolarHBondContact O-CB 3.33Å; Q546-E550 PolarHBondContact O-N 3.48Å; Q547-E550 PolarHBondContact O-N 3.18Å; V548-E550 VanDerWaalsContact C-N 3.34Å; V548-E550 PolarHBondContact O-N 3.18Å; E550-T552 VanDerWaalsContact C-N 3.26Å; E550-T552 PolarHBondContact O-N 3.47Å; E550-R553 PolarHBondContact O-N 2.98Å; E550-N554 PolarHBondContact O-N 3.42Å
551	A	97.3	Very high	97.5	Very high	17 Å²	17	73.3 Å²	73.3	14%	0.14	39%	0.386	C	S	.	.	H	α-helix	trans	-59.9	-39.8	174.4	0	0	0	0	0	111.1	V469 Q547 N554 V555	V469-A551 HydrophobicContact CB-CB 4.42Å; V469-A551 HydrophobicContact CG2-CB 3.56Å; V469-A551 WeakPolarHBondContact CG2-O 3.47Å; Q547-A551 WeakPolarHBondContact O-CB 3.3Å; Q547-A551 PolarHBondContact O-N 3.44Å; A551-N554 PolarHBondContact O-N 2.74Å; A551-V555 WeakPolarHBondContact O-CG2 3.33Å; A551-V555 PolarHBondContact O-N 2.62Å
552	T	98.1	Very high	97.4	Very high	62 Å²	62	72.7 Å²	72.7	38%	0.38	38%	0.384	S	S	.	.	H	α-helix	trans	-67.5	-41.6	177.8	-57.4	0	0	0	0	111.8	V548 E549 E550 N554 V555 S556	V548-T552 VanDerWaalsContact O-CB 3.24Å; V548-T552 WeakPolarHBondContact O-CB 3.17Å; V548-T552 PolarHBondContact O-N 3.08Å; V548-T552 PolarHBondContact O-OG1 3.32Å; E549-T552 PolarHBondContact O-N 3.04Å; E550-T552 VanDerWaalsContact C-N 3.26Å; E550-T552 PolarHBondContact O-N 3.47Å; T552-N554 VanDerWaalsContact C-N 3.35Å; T552-N554 PolarHBondContact O-N 3.33Å; T552-V555 PolarHBondContact O-N 2.74Å; T552-S556 PolarHBondContact O-N 3.25Å
553	R	97.9	Very high	97.4	Very high	133 Å²	133	74.2 Å²	74.2	50%	0.502	39%	0.391	S	S	.	.	H	α-helix	trans	-58	-45.9	172	-79	178.4	-99.6	120.9	-7.3	111	E549 E550 S556 V557	E549-R553 VanDerWaalsContact CB-NH2 3.31Å; E549-R553 WeakPolarHBondContact O-CB 3.42Å; E549-R553 VanDerWaalsContact O-CG 3.29Å; E549-R553 WeakPolarHBondContact O-CG 3.32Å; E549-R553 PolarHBondContact O-N 3.38Å; E549-R553 PolarHBondContact O-NE 2.99Å; E549-R553 IonicContact OE2-NH2 3.64Å; E549-R553 PolarHBondContact OE2-NH2 2.68Å; E550-R553 PolarHBondContact O-N 2.98Å; R553-S556 WeakPolarHBondContact O-CB 3.3Å; R553-S556 PolarHBondContact O-N 2.95Å; R553-V557 WeakPolarHBondContact O-CG2 3.37Å; R553-V557 PolarHBondContact O-N 3.01Å
554	N	97.4	Very high	97.3	Very high	81 Å²	81	79.7 Å²	79.7	43%	0.433	41%	0.411	S	S	.	.	H	α-helix	trans	-61.8	-46.2	177.2	-172.8	8.6	0	0	0	112.2	E550 A551 T552 S556 V557 L558	E550-N554 PolarHBondContact O-N 3.42Å; A551-N554 PolarHBondContact O-N 2.74Å; T552-N554 VanDerWaalsContact C-N 3.35Å; T552-N554 PolarHBondContact O-N 3.33Å; N554-S556 VanDerWaalsContact C-N 3.31Å; N554-S556 PolarHBondContact O-N 3.3Å; N554-V557 PolarHBondContact O-N 3.41Å; N554-L558 WeakPolarHBondContact O-CG 3.4Å; N554-L558 PolarHBondContact O-N 3.38Å; N554-L558 WeakPolarHBondContact OD1-CD1 3.17Å
555	V	97.8	Very high	97.2	Very high	17 Å²	17	80.7 Å²	80.7	10%	0.103	42%	0.418	C	S	.	.	H	α-helix	trans	-57.3	-43.6	174.3	168.7	0	0	0	0	111.5	Y462 A465 R466 V469 A551 T552 L558 Q559	Y462-V555 HydrophobicContact CD2-CG1 4.3Å; Y462-V555 HydrophobicContact CE2-CG1 3.95Å; A465-V555 HydrophobicContact CB-CG2 3.65Å; A465-V555 WeakPolarHBondContact O-CG2 3.29Å; R466-V555 HydrophobicContact CG-CG1 3.79Å; R466-V555 HydrophobicContact CG-CG2 3.94Å; V469-V555 HydrophobicContact CG2-CB 4.4Å; V469-V555 HydrophobicContact CG2-CG2 3.6Å; A551-V555 WeakPolarHBondContact O-CG2 3.33Å; A551-V555 PolarHBondContact O-N 2.62Å; T552-V555 PolarHBondContact O-N 2.74Å; V555-L558 PolarHBondContact O-N 2.82Å; V555-Q559 WeakPolarHBondContact O-CB 3.34Å; V555-Q559 PolarHBondContact O-N 2.68Å
556	S	97.4	Very high	97.2	Very high	70 Å²	70	79.6 Å²	79.6	49%	0.49	41%	0.409	S	S	.	.	H	α-helix	trans	-62	-45.1	178.4	-169.6	0	0	0	0	112.6	T552 R553 N554 Q559 S560	T552-S556 PolarHBondContact O-N 3.25Å; R553-S556 WeakPolarHBondContact O-CB 3.3Å; R553-S556 PolarHBondContact O-N 2.95Å; N554-S556 VanDerWaalsContact C-N 3.31Å; N554-S556 PolarHBondContact O-N 3.3Å; S556-Q559 PolarHBondContact O-N 3.37Å; S556-S560 PolarHBondContact O-N 3.23Å
557	V	97.8	Very high	97.1	Very high	94 Å²	94	81.8 Å²	81.8	57%	0.57	42%	0.42	S	S	*	.	H	α-helix	trans	-58.2	-51.7	175	171.3	0	0	0	0	110.5	R553 N554 Q559 S560 A561	R553-V557 WeakPolarHBondContact O-CG2 3.37Å; R553-V557 PolarHBondContact O-N 3.01Å; N554-V557 PolarHBondContact O-N 3.41Å; V557-Q559 PolarHBondContact O-N 3.31Å; V557-S560 PolarHBondContact O-N 3.44Å; V557-S560 PolarHBondContact O-OG 2.8Å; V557-A561 PolarHBondContact O-N 3.35Å; V557-A561 VanDerWaalsContact O-N 3.1Å
558	L	97.1	Very high	97	Very high	34 Å²	34	83.9 Å²	83.9	18%	0.178	43%	0.427	C	S	.	.	H	α-helix	trans	-64.1	-38.6	-180	-69.3	169.7	0	0	0	112.5	P461 Y462 A465 N554 V555 S560 A561 L562	P461-L558 HydrophobicContact CB-CD1 4.43Å; P461-L558 HydrophobicContact CB-CD2 4.4Å; Y462-L558 HydrophobicContact CD2-CB 4.4Å; A465-L558 HydrophobicContact CB-CD1 3.66Å; N554-L558 WeakPolarHBondContact O-CG 3.4Å; N554-L558 PolarHBondContact O-N 3.38Å; N554-L558 WeakPolarHBondContact OD1-CD1 3.17Å; V555-L558 PolarHBondContact O-N 2.82Å; L558-S560 VanDerWaalsContact C-N 3.34Å; L558-S560 PolarHBondContact O-N 2.93Å; L558-A561 PolarHBondContact O-N 3.45Å; L558-L562 HydrophobicContact CB-CD1 4.33Å; L558-L562 HydrophobicContact CD2-CD1 4.03Å; L558-L562 VanDerWaalsContact O-CB 3.24Å; L558-L562 WeakPolarHBondContact O-CB 3.48Å; L558-L562 WeakPolarHBondContact O-CG 3.33Å; L558-L562 PolarHBondContact O-N 2.8Å
559	Q	97	Very high	96.9	Very high	97 Å²	97	82.8 Å²	82.8	45%	0.453	42%	0.42	S	S	.	.	H	α-helix	trans	-61.3	-42.2	176.3	-170.2	-179.2	6	0	0	111.6	Y462 V555 S556 V557 K563	Y462-Q559 HydrophobicContact CD2-CB 4.1Å; Y462-Q559 HydrophobicContact CE2-CB 3.75Å; Y462-Q559 HydrophobicContact CE2-CG 3.96Å; V555-Q559 WeakPolarHBondContact O-CB 3.34Å; V555-Q559 PolarHBondContact O-N 2.68Å; S556-Q559 PolarHBondContact O-N 3.37Å; V557-Q559 PolarHBondContact O-N 3.31Å; Q559-K563 PolarHBondContact O-N 2.88Å
560	S	96.6	Very high	96.8	Very high	93 Å²	93	81.4 Å²	81.4	65%	0.65	41%	0.413	S	S	*	.	H	α-helix	trans	-66.5	-46	177.7	77.4	0	0	0	0	111.9	S556 V557 L558	S556-S560 PolarHBondContact O-N 3.23Å; V557-S560 PolarHBondContact O-N 3.44Å; V557-S560 PolarHBondContact O-OG 2.8Å; L558-S560 VanDerWaalsContact C-N 3.34Å; L558-S560 PolarHBondContact O-N 2.93Å
561	A	97.1	Very high	96.7	Very high	77 Å²	77	78.5 Å²	78.5	64%	0.636	41%	0.405	S	S	*	.	H	α-helix	trans	-70.7	-35.2	-177.1	0	0	0	0	0	113.4	V557 L558	V557-A561 PolarHBondContact O-N 3.35Å; V557-A561 VanDerWaalsContact O-N 3.1Å; L558-A561 PolarHBondContact O-N 3.45Å
562	L	95.8	Very high	96.7	Very high	39 Å²	39	79.2 Å²	79.2	20%	0.204	40%	0.404	C	S	.	.	H	α-helix	trans	-109	6.7	-167.6	-57.3	169.4	0	0	0	114.1	K458 L558 R564 S565 I566	K458-L562 VanDerWaalsContact O-CD1 3.28Å; K458-L562 WeakPolarHBondContact O-CD1 3.48Å; K458-L562 WeakPolarHBondContact O-CD2 3.25Å; L558-L562 HydrophobicContact CB-CD1 4.33Å; L558-L562 HydrophobicContact CD2-CD1 4.03Å; L558-L562 VanDerWaalsContact O-CB 3.24Å; L558-L562 WeakPolarHBondContact O-CB 3.48Å; L558-L562 WeakPolarHBondContact O-CG 3.33Å; L558-L562 PolarHBondContact O-N 2.8Å; L562-R564 VanDerWaalsContact C-N 3.31Å; L562-R564 PolarHBondContact O-N 3.48Å; L562-S565 WeakPolarHBondContact O-CA 3.38Å; L562-S565 WeakPolarHBondContact O-CB 3.26Å; L562-S565 PolarHBondContact O-N 3.15Å; L562-I566 HydrophobicContact CB-CD1 3.78Å; L562-I566 HydrophobicContact CB-CG1 3.97Å; L562-I566 PolarHBondContact O-N 3.03Å
563	K	96.3	Very high	96.6	Very high	154 Å²	154	76.6 Å²	76.6	67%	0.67	39%	0.387	S	S	*	.	H	α-helix	trans	-39.2	-49	-172.2	-171.4	169.3	-176.8	169.8	0	115.2	Q559 Q567	Q559-K563 PolarHBondContact O-N 2.88Å; K563-Q567 WeakPolarHBondContact O-CB 3.37Å; K563-Q567 PolarHBondContact O-N 3.36Å; K563-Q567 VanDerWaalsContact O-N 3.07Å
564	R	95.9	Very high	96.3	Very high	217 Å²	217	74 Å²	74	82%	0.819	38%	0.381	S	S	*	.	H	α-helix	trans	-70	-32.6	-179.9	-68.6	-175.6	-179.8	-179.8	0.9	114	L562	L562-R564 VanDerWaalsContact C-N 3.31Å; L562-R564 PolarHBondContact O-N 3.48Å
565	S	96.7	Very high	96.2	Very high	23 Å²	23	71.2 Å²	71.2	16%	0.161	37%	0.369	C	S	.	.	H	α-helix	trans	-74.3	-46.4	175.8	-73.4	0	0	0	0	110.5	L562 Q567 K568 S569	L562-S565 WeakPolarHBondContact O-CA 3.38Å; L562-S565 WeakPolarHBondContact O-CB 3.26Å; L562-S565 PolarHBondContact O-N 3.15Å; S565-Q567 VanDerWaalsContact C-N 3.35Å; S565-Q567 PolarHBondContact O-N 3.43Å; S565-K568 PolarHBondContact O-N 3.02Å; S565-K568 VanDerWaalsContact O-N 3.12Å; S565-S569 WeakPolarHBondContact O-CB 3.11Å; S565-S569 PolarHBondContact O-N 3.35Å; S565-S569 PolarHBondContact O-OG 2.89Å; S565-S569 VanDerWaalsContact O-OG 3.07Å
566	I	96.2	Very high	96	Very high	17 Å²	17	73.3 Å²	73.3	9%	0.087	38%	0.375	C	S	.	.	H	α-helix	trans	-54.7	-48.5	176.4	-64	165.6	0	0	0	111	Y462 Y463 L562 K568 S569 K570	Y462-I566 HydrophobicContact CD1-CB 4.42Å; Y462-I566 HydrophobicContact CD1-CD1 3.58Å; Y462-I566 HydrophobicContact CD1-CG1 3.63Å; Y462-I566 HydrophobicContact CD1-CG2 3.91Å; Y462-I566 HydrophobicContact CD2-CD1 3.71Å; Y462-I566 HydrophobicContact CE1-CB 4.42Å; Y462-I566 HydrophobicContact CE1-CD1 3.89Å; Y462-I566 HydrophobicContact CE1-CG1 4.05Å; Y462-I566 HydrophobicContact CE1-CG2 3.47Å; Y462-I566 VanDerWaalsContact CE1-CG2 3.47Å; Y462-I566 HydrophobicContact CE2-CD1 4.02Å; Y462-I566 HydrophobicContact CG-CD1 3.46Å; Y462-I566 VanDerWaalsContact CG-CD1 3.46Å; Y462-I566 HydrophobicContact CG-CG1 3.93Å; Y463-I566 PolarHBondContact OH-O 3.33Å; L562-I566 HydrophobicContact CB-CD1 3.78Å; L562-I566 HydrophobicContact CB-CG1 3.97Å; L562-I566 PolarHBondContact O-N 3.03Å; I566-K568 VanDerWaalsContact C-N 3.27Å; I566-K568 PolarHBondContact O-N 3.44Å; I566-S569 WeakPolarHBondContact CA-OG 3.29Å; I566-S569 PolarHBondContact O-N 3.18Å; I566-S569 PolarHBondContact O-OG 2.63Å; I566-S569 VanDerWaalsContact O-OG 3.09Å; I566-K570 WeakPolarHBondContact O-CB 3.4Å; I566-K570 PolarHBondContact O-N 3.21Å
567	Q	95.8	Very high	95.8	Very high	151 Å²	151	70.8 Å²	70.8	71%	0.706	36%	0.357	S	S	*	.	H	α-helix	trans	-61.3	-34.5	-180	-170.7	-179.5	8.3	0	0	112.9	K563 S565	K563-Q567 WeakPolarHBondContact O-CB 3.37Å; K563-Q567 PolarHBondContact O-N 3.36Å; K563-Q567 VanDerWaalsContact O-N 3.07Å; S565-Q567 VanDerWaalsContact C-N 3.35Å; S565-Q567 PolarHBondContact O-N 3.43Å
568	K	95.9	Very high	95.5	Very high	134 Å²	134	70.6 Å²	70.6	58%	0.583	35%	0.35	S	S	*	.	H	α-helix	trans	-79.5	-33.3	177.3	-73.6	-174.6	173.6	-168.5	0	113.2	L452 C455 S565 I566	L452-K568 WeakPolarHBondContact CD2-O 3.41Å; C455-K568 HydrophobicContact CB-CB 4.25Å; S565-K568 PolarHBondContact O-N 3.02Å; S565-K568 VanDerWaalsContact O-N 3.12Å; I566-K568 VanDerWaalsContact C-N 3.27Å; I566-K568 PolarHBondContact O-N 3.44Å
569	S	96.3	Very high	95.4	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-85.2	-21.2	-177.2	63.5	0	0	0	0	113.8	S459 S565 I566 P571 Y572 F573	S459-S569 WeakPolarHBondContact CB-OG 3.18Å; S459-S569 WeakPolarHBondContact OG-CB 3.42Å; S459-S569 PolarHBondContact OG-OG 3.34Å; S565-S569 WeakPolarHBondContact O-CB 3.11Å; S565-S569 PolarHBondContact O-N 3.35Å; S565-S569 PolarHBondContact O-OG 2.89Å; S565-S569 VanDerWaalsContact O-OG 3.07Å; I566-S569 WeakPolarHBondContact CA-OG 3.29Å; I566-S569 PolarHBondContact O-N 3.18Å; I566-S569 PolarHBondContact O-OG 2.63Å; I566-S569 VanDerWaalsContact O-OG 3.09Å; S569-P571 VanDerWaalsContact O-N 3.17Å; S569-Y572 WeakPolarHBondContact O-CA 3.45Å; S569-Y572 WeakPolarHBondContact O-CB 3.5Å; S569-Y572 PolarHBondContact O-N 3.31Å; S569-F573 PolarHBondContact O-N 3.11Å
570	K	95.5	Very high	95.2	Very high	78 Å²	78	68.6 Å²	68.6	34%	0.339	34%	0.344	S	S	.	.	H	α-helix	trans	-35.5	-56.3	-179.6	179.1	167.2	176.3	176.7	0	114.3	Y463 I566 Y572 F573 E574	Y463-K570 WeakPolarHBondContact OH-CA 3.36Å; I566-K570 WeakPolarHBondContact O-CB 3.4Å; I566-K570 PolarHBondContact O-N 3.21Å; K570-Y572 VanDerWaalsContact C-N 3.31Å; K570-Y572 PolarHBondContact O-N 3Å; K570-F573 PolarHBondContact O-N 3.23Å; K570-F573 VanDerWaalsContact O-N 3.1Å; K570-E574 WeakPolarHBondContact CE-OE1 3.49Å; K570-E574 VanDerWaalsContact CG-CD 3.5Å; K570-E574 HydrophobicContact CG-CG 4.25Å; K570-E574 WeakPolarHBondContact CG-OE2 3.44Å; K570-E574 IonicContact NZ-OE1 2.71Å; K570-E574 WeakPolarHBondContact O-CG 3.49Å; K570-E574 PolarHBondContact O-N 3.4Å
571	P	95.1	Very high	95.1	Very high	61 Å²	61	68.6 Å²	68.6	40%	0.396	33%	0.332	S	S	.	.	H	α-helix	trans	-63.1	-29.1	-179.6	24.2	-35.7	0	0	0	114.8	M448 S569 E574 A575	M448-P571 HydrophobicContact CE-CB 4.15Å; M448-P571 WeakPolarHBondContact CE-O 3.44Å; S569-P571 VanDerWaalsContact O-N 3.17Å; P571-E574 WeakPolarHBondContact CA-OE2 3.36Å; P571-A575 WeakPolarHBondContact O-CB 3.4Å; P571-A575 PolarHBondContact O-N 3.47Å
572	Y	96.2	Very high	95	Very high	31 Å²	31	67.2 Å²	67.2	12%	0.122	32%	0.316	C	S	.	.	H	α-helix	trans	-69.9	-41.5	174.5	168	-89.3	0	0	0	111.4	L445 M448 I456 S569 K570 R576	L445-Y572 HydrophobicContact CB-CE2 4.21Å; L445-Y572 HydrophobicContact CD2-CD2 3.95Å; L445-Y572 HydrophobicContact CD2-CE2 3.76Å; M448-Y572 HydrophobicContact CB-CD2 3.99Å; I456-Y572 HydrophobicContact CB-CD1 4.48Å; I456-Y572 HydrophobicContact CD1-CD1 3.9Å; I456-Y572 HydrophobicContact CD1-CD2 3.64Å; I456-Y572 HydrophobicContact CD1-CE1 4.16Å; I456-Y572 HydrophobicContact CD1-CE2 3.9Å; I456-Y572 HydrophobicContact CD1-CG 3.65Å; I456-Y572 HydrophobicContact CG1-CD1 3.84Å; I456-Y572 HydrophobicContact CG1-CD2 4.44Å; I456-Y572 HydrophobicContact CG1-CE1 4.27Å; I456-Y572 HydrophobicContact CG1-CG 3.94Å; I456-Y572 HydrophobicContact CG2-CD1 3.83Å; I456-Y572 HydrophobicContact CG2-CE1 3.49Å; I456-Y572 VanDerWaalsContact CG2-CE1 3.49Å; S569-Y572 WeakPolarHBondContact O-CA 3.45Å; S569-Y572 WeakPolarHBondContact O-CB 3.5Å; S569-Y572 PolarHBondContact O-N 3.31Å; K570-Y572 VanDerWaalsContact C-N 3.31Å; K570-Y572 PolarHBondContact O-N 3Å; Y572-R576 VanDerWaalsContact O-CB 3.32Å; Y572-R576 WeakPolarHBondContact O-CB 3.39Å; Y572-R576 PolarHBondContact O-N 3.03Å
573	F	95.9	Very high	95	Very high	7 Å²	7	67.4 Å²	67.4	3%	0.031	32%	0.316	C	S	.	.	H	α-helix	trans	-72.6	-39.5	178.9	-75.6	-85.1	0	0	0	111.9	I456 S459 R460 Y463 S569 K570 R576 V577	I456-F573 HydrophobicContact CG2-CE2 4.12Å; I456-F573 HydrophobicContact CG2-CZ 4.04Å; S459-F573 WeakPolarHBondContact OG-CE2 3.27Å; R460-F573 HydrophobicContact CB-CZ 4.33Å; Y463-F573 HydrophobicContact CD1-CB 3.9Å; Y463-F573 HydrophobicContact CD1-CD1 4.03Å; Y463-F573 AromaticContact CD1-CG 3.89Å; Y463-F573 HydrophobicContact CD1-CG 3.89Å; Y463-F573 HydrophobicContact CD2-CB 4.43Å; Y463-F573 AromaticContact CD2-CD1 3.68Å; Y463-F573 HydrophobicContact CD2-CD1 3.68Å; Y463-F573 AromaticContact CD2-CD2 3.54Å; Y463-F573 HydrophobicContact CD2-CD2 3.54Å; Y463-F573 AromaticContact CD2-CE1 3.71Å; Y463-F573 HydrophobicContact CD2-CE1 3.71Å; Y463-F573 AromaticContact CD2-CE2 3.57Å; Y463-F573 HydrophobicContact CD2-CE2 3.57Å; Y463-F573 AromaticContact CD2-CG 3.6Å; Y463-F573 HydrophobicContact CD2-CG 3.6Å; Y463-F573 AromaticContact CD2-CZ 3.66Å; Y463-F573 HydrophobicContact CD2-CZ 3.66Å; Y463-F573 HydrophobicContact CE1-CB 3.66Å; Y463-F573 HydrophobicContact CE1-CD1 4.5Å; Y463-F573 HydrophobicContact CE1-CD2 4.28Å; Y463-F573 AromaticContact CE1-CG 3.9Å; Y463-F573 HydrophobicContact CE1-CG 3.9Å; Y463-F573 HydrophobicContact CE2-CB 4.23Å; Y463-F573 HydrophobicContact CE2-CD1 4.21Å; Y463-F573 AromaticContact CE2-CD2 3.26Å; Y463-F573 HydrophobicContact CE2-CD2 3.26Å; Y463-F573 HydrophobicContact CE2-CE1 4.44Å; Y463-F573 AromaticContact CE2-CE2 3.55Å; Y463-F573 HydrophobicContact CE2-CE2 3.55Å; Y463-F573 AromaticContact CE2-CG 3.63Å; Y463-F573 HydrophobicContact CE2-CG 3.63Å; Y463-F573 HydrophobicContact CE2-CZ 4.15Å; Y463-F573 HydrophobicContact CG-CB 4.28Å; Y463-F573 AromaticContact CG-CD1 3.59Å; Y463-F573 HydrophobicContact CG-CD1 3.59Å; Y463-F573 HydrophobicContact CG-CD2 4.18Å; Y463-F573 AromaticContact CG-CE1 3.9Å; Y463-F573 HydrophobicContact CG-CE1 3.9Å; Y463-F573 HydrophobicContact CG-CE2 4.45Å; Y463-F573 AromaticContact CG-CG 3.75Å; Y463-F573 HydrophobicContact CG-CG 3.75Å; Y463-F573 HydrophobicContact CG-CZ 4.33Å; Y463-F573 AromaticContact CZ-CD2 3.67Å; Y463-F573 AromaticContact CZ-CG 3.78Å; S569-F573 PolarHBondContact O-N 3.11Å; K570-F573 PolarHBondContact O-N 3.23Å; K570-F573 VanDerWaalsContact O-N 3.1Å; F573-R576 WeakPolarHBondContact O-CB 2.82Å; F573-R576 PolarHBondContact O-N 2.92Å; F573-V577 WeakPolarHBondContact O-CG2 3.28Å; F573-V577 PolarHBondContact O-N 3.2Å
574	E	93.5	Very high	94.9	Very high	79 Å²	79	65.4 Å²	65.4	37%	0.369	31%	0.31	S	S	.	.	H	α-helix	trans	-59.6	-51.1	172.9	-71	169.4	146.4	0	0	111.6	K570 P571 R576 V577 E578	K570-E574 WeakPolarHBondContact CE-OE1 3.49Å; K570-E574 VanDerWaalsContact CG-CD 3.5Å; K570-E574 HydrophobicContact CG-CG 4.25Å; K570-E574 WeakPolarHBondContact CG-OE2 3.44Å; K570-E574 IonicContact NZ-OE1 2.71Å; K570-E574 WeakPolarHBondContact O-CG 3.49Å; K570-E574 PolarHBondContact O-N 3.4Å; P571-E574 WeakPolarHBondContact CA-OE2 3.36Å; E574-R576 PolarHBondContact O-N 3.46Å; E574-V577 PolarHBondContact O-N 2.94Å; E574-E578 PolarHBondContact O-N 3.35Å
575	A	94.5	Very high	94.9	Very high	23 Å²	23	59.6 Å²	59.6	19%	0.19	30%	0.295	C	S	.	.	H	α-helix	trans	-56.3	-40.7	173.5	0	0	0	0	0	111.4	M448 P571 V577 F579	M448-A575 HydrophobicContact CE-CB 4.43Å; M448-A575 HydrophobicContact SD-CB 4.19Å; P571-A575 WeakPolarHBondContact O-CB 3.4Å; P571-A575 PolarHBondContact O-N 3.47Å; A575-V577 VanDerWaalsContact C-N 3.33Å; A575-V577 PolarHBondContact O-N 3.43Å; A575-F579 HydrophobicContact CB-CE2 4.47Å; A575-F579 HydrophobicContact CB-CZ 4.42Å; A575-F579 WeakPolarHBondContact O-CB 3.36Å; A575-F579 WeakPolarHBondContact O-CD1 3.46Å; A575-F579 WeakPolarHBondContact O-CG 3.28Å; A575-F579 PolarHBondContact O-N 3.42Å
576	R	94.3	Very high	94.9	Very high	60 Å²	60	59.8 Å²	59.8	23%	0.226	29%	0.293	C	S	.	.	H	α-helix	trans	-63.2	-32.5	176.6	-165.3	-174.2	71.4	158.1	4.2	113.2	L445 Y572 F573 E574 T580	L445-R576 HydrophobicContact CD2-CB 4.49Å; Y572-R576 VanDerWaalsContact O-CB 3.32Å; Y572-R576 WeakPolarHBondContact O-CB 3.39Å; Y572-R576 PolarHBondContact O-N 3.03Å; F573-R576 WeakPolarHBondContact O-CB 2.82Å; F573-R576 PolarHBondContact O-N 2.92Å; E574-R576 PolarHBondContact O-N 3.46Å; R576-T580 WeakPolarHBondContact O-CB 3.17Å; R576-T580 PolarHBondContact O-N 3.39Å; R576-T580 PolarHBondContact O-OG1 2.9Å
577	V	92.5	Very high	95	Very high	18 Å²	18	64.5 Å²	64.5	11%	0.109	31%	0.313	C	S	.	.	H	α-helix	trans	-71.7	-52.4	178.6	-161.4	0	0	0	0	110.9	F573 E574 A575 F579 T580 K581 V793 Y795	F573-V577 WeakPolarHBondContact O-CG2 3.28Å; F573-V577 PolarHBondContact O-N 3.2Å; E574-V577 PolarHBondContact O-N 2.94Å; A575-V577 VanDerWaalsContact C-N 3.33Å; A575-V577 PolarHBondContact O-N 3.43Å; V577-F579 PolarHBondContact O-N 3.05Å; V577-T580 PolarHBondContact O-N 2.96Å; V577-K581 PolarHBondContact O-N 2.97Å; V577-V793 HydrophobicContact CB-CG1 3.94Å; V577-V793 HydrophobicContact CG1-CG1 3.63Å; V577-V793 HydrophobicContact CG2-CG1 4.07Å; V577-Y795 HydrophobicContact CG1-CD1 4.11Å; V577-Y795 HydrophobicContact CG1-CD2 4.24Å; V577-Y795 HydrophobicContact CG1-CE1 3.64Å; V577-Y795 HydrophobicContact CG1-CE2 3.79Å; V577-Y795 HydrophobicContact CG1-CG 4.41Å; V577-Y795 VanDerWaalsContact CG1-CZ 3.49Å; V577-Y795 HydrophobicContact CG2-CE2 3.9Å; V577-Y795 VanDerWaalsContact CG2-OH 3.23Å; V577-Y795 WeakPolarHBondContact CG2-OH 3.16Å
578	E	92.3	Very high	95.1	Very high	89 Å²	89	58.8 Å²	58.8	42%	0.416	29%	0.29	S	S	.	.	H	α-helix	trans	-60.4	-33.3	175.4	-166.6	59.5	-144.3	0	0	110.6	E574 T580 K581 V582	E574-E578 PolarHBondContact O-N 3.35Å; E578-T580 PolarHBondContact O-N 2.74Å; E578-K581 PolarHBondContact O-N 2.52Å; E578-K581 IonicContact OE1-NZ 3.36Å; E578-K581 PolarHBondContact OE1-NZ 3.27Å; E578-K581 VanDerWaalsContact OE1-NZ 3.09Å; E578-K581 IonicContact OE2-NZ 3.8Å; E578-K581 PolarHBondContact OE2-NZ 2.74Å; E578-V582 PolarHBondContact O-N 2.92Å
579	F	94.5	Very high	95.2	Very high	26 Å²	26	55 Å²	55	11%	0.114	28%	0.275	C	S	.	.	H	α-helix	trans	-69.2	-31	175.5	-70.5	4.3	0	0	0	113.9	W441 R444 L445 A575 V577 L583	W441-F579 HydrophobicContact CB-CD2 3.72Å; W441-F579 HydrophobicContact CB-CE2 3.97Å; W441-F579 HydrophobicContact CB-CG 4.17Å; W441-F579 HydrophobicContact CD2-CB 4.18Å; W441-F579 AromaticContact CD2-CD1 3.55Å; W441-F579 HydrophobicContact CD2-CD1 3.55Å; W441-F579 HydrophobicContact CD2-CD2 4.08Å; W441-F579 AromaticContact CD2-CE1 3.93Å; W441-F579 HydrophobicContact CD2-CE1 3.93Å; W441-F579 HydrophobicContact CD2-CE2 4.41Å; W441-F579 AromaticContact CD2-CG 3.66Å; W441-F579 HydrophobicContact CD2-CG 3.66Å; W441-F579 HydrophobicContact CD2-CZ 4.35Å; W441-F579 AromaticContact CE2-CD1 3.74Å; W441-F579 AromaticContact CE2-CE1 3.78Å; W441-F579 VanDerWaalsContact CE3-CA 3.49Å; W441-F579 HydrophobicContact CE3-CB 3.53Å; W441-F579 AromaticContact CE3-CD1 3.6Å; W441-F579 HydrophobicContact CE3-CD1 3.6Å; W441-F579 HydrophobicContact CE3-CD2 4.28Å; W441-F579 HydrophobicContact CE3-CE1 4.41Å; W441-F579 AromaticContact CE3-CG 3.53Å; W441-F579 HydrophobicContact CE3-CG 3.53Å; W441-F579 HydrophobicContact CG-CD1 4.16Å; W441-F579 AromaticContact CG-CD2 3.93Å; W441-F579 HydrophobicContact CG-CD2 3.93Å; W441-F579 HydrophobicContact CG-CE1 4.24Å; W441-F579 HydrophobicContact CG-CE2 4.02Å; W441-F579 HydrophobicContact CG-CG 4.03Å; W441-F579 HydrophobicContact CG-CZ 4.18Å; W441-F579 AromaticContact CH2-CD1 3.8Å; W441-F579 HydrophobicContact CH2-CD1 3.8Å; W441-F579 HydrophobicContact CH2-CE1 4.41Å; W441-F579 AromaticContact CZ2-CD1 3.84Å; W441-F579 HydrophobicContact CZ2-CD1 3.84Å; W441-F579 HydrophobicContact CZ2-CE1 4.01Å; W441-F579 HydrophobicContact CZ3-CB 3.9Å; W441-F579 AromaticContact CZ3-CD1 3.76Å; W441-F579 HydrophobicContact CZ3-CD1 3.76Å; W441-F579 HydrophobicContact CZ3-CG 4.04Å; W441-F579 WeakPolarHBondContact CZ3-O 3.33Å; R444-F579 HydrophobicContact CB-CE2 3.89Å; R444-F579 HydrophobicContact CB-CZ 4.18Å; L445-F579 HydrophobicContact CD1-CD2 4Å; L445-F579 HydrophobicContact CD2-CD2 3.94Å; L445-F579 HydrophobicContact CD2-CE2 4.09Å; L445-F579 HydrophobicContact CG-CD2 3.76Å; L445-F579 HydrophobicContact CG-CE2 3.98Å; A575-F579 HydrophobicContact CB-CE2 4.47Å; A575-F579 HydrophobicContact CB-CZ 4.42Å; A575-F579 WeakPolarHBondContact O-CB 3.36Å; A575-F579 WeakPolarHBondContact O-CD1 3.46Å; A575-F579 WeakPolarHBondContact O-CG 3.28Å; A575-F579 PolarHBondContact O-N 3.42Å; V577-F579 PolarHBondContact O-N 3.05Å; F579-L583 WeakPolarHBondContact O-CD1 3.43Å; F579-L583 WeakPolarHBondContact O-CG 3.37Å
580	T	93.1	Very high	95.3	Very high	64 Å²	64	55.8 Å²	55.8	39%	0.393	28%	0.279	S	S	.	.	H	α-helix	trans	-72.7	-42.1	173.8	-54.1	0	0	0	0	110.3	R576 V577 E578 L583 Q584	R576-T580 WeakPolarHBondContact O-CB 3.17Å; R576-T580 PolarHBondContact O-N 3.39Å; R576-T580 PolarHBondContact O-OG1 2.9Å; V577-T580 PolarHBondContact O-N 2.96Å; E578-T580 PolarHBondContact O-N 2.74Å; T580-L583 PolarHBondContact O-N 3.3Å; T580-Q584 HydrophobicContact CG2-CG 4.32Å; T580-Q584 WeakPolarHBondContact O-CB 3.29Å; T580-Q584 VanDerWaalsContact O-CG 3.3Å; T580-Q584 WeakPolarHBondContact O-CG 3.38Å; T580-Q584 PolarHBondContact O-N 2.99Å
581	K	94.5	Very high	95.4	Very high	93 Å²	93	55.3 Å²	55.3	40%	0.404	28%	0.278	S	S	.	.	H	α-helix	trans	-60.8	-49.2	-177	177.3	178.2	158.1	-149.1	0	113.8	V577 E578 Q584 N585	V577-K581 PolarHBondContact O-N 2.97Å; E578-K581 PolarHBondContact O-N 2.52Å; E578-K581 IonicContact OE1-NZ 3.36Å; E578-K581 PolarHBondContact OE1-NZ 3.27Å; E578-K581 VanDerWaalsContact OE1-NZ 3.09Å; E578-K581 IonicContact OE2-NZ 3.8Å; E578-K581 PolarHBondContact OE2-NZ 2.74Å; K581-Q584 PolarHBondContact O-N 3.41Å; K581-N585 VanDerWaalsContact O-CG 3.25Å; K581-N585 PolarHBondContact O-N 2.86Å
582	V	95.1	Very high	95.6	Very high	48 Å²	48	59.1 Å²	59.1	29%	0.291	29%	0.285	S	S	.	.	H	α-helix	trans	-72.4	-33.5	179.5	-178.2	0	0	0	0	111.7	W441 E578 Q584 N585 Q586	W441-V582 HydrophobicContact CH2-CB 3.52Å; W441-V582 HydrophobicContact CH2-CG1 4.07Å; W441-V582 HydrophobicContact CH2-CG2 3.74Å; W441-V582 HydrophobicContact CZ3-CB 3.65Å; W441-V582 HydrophobicContact CZ3-CG1 4.35Å; W441-V582 HydrophobicContact CZ3-CG2 4.27Å; E578-V582 PolarHBondContact O-N 2.92Å; V582-Q584 VanDerWaalsContact C-N 3.34Å; V582-Q584 PolarHBondContact O-N 3.12Å; V582-N585 PolarHBondContact O-N 3.46Å; V582-Q586 WeakPolarHBondContact O-CB 3.35Å; V582-Q586 PolarHBondContact O-N 3.11Å
583	L	94.9	Very high	95.6	Very high	42 Å²	42	58.3 Å²	58.3	22%	0.22	28%	0.282	C	S	.	.	H	α-helix	trans	-64.3	-37.8	171.7	-75.4	173.5	0	0	0	112	F434 V437 Q438 W441 F579 T580 K587	F434-L583 HydrophobicContact CD2-CD2 4.14Å; F434-L583 HydrophobicContact CE2-CD2 3.91Å; F434-L583 HydrophobicContact CZ-CD2 4.38Å; V437-L583 HydrophobicContact CB-CD2 4.32Å; V437-L583 HydrophobicContact CG1-CD2 3.76Å; V437-L583 HydrophobicContact CG1-CG 4.21Å; Q438-L583 HydrophobicContact CB-CD2 4.21Å; W441-L583 HydrophobicContact CE3-CD1 4.5Å; W441-L583 HydrophobicContact CE3-CG 4.26Å; F579-L583 WeakPolarHBondContact O-CD1 3.43Å; F579-L583 WeakPolarHBondContact O-CG 3.37Å; T580-L583 PolarHBondContact O-N 3.3Å; L583-K587 VanDerWaalsContact O-CB 3.3Å; L583-K587 WeakPolarHBondContact O-CB 3.45Å; L583-K587 PolarHBondContact O-N 3.09Å
584	Q	95.3	Very high	95.8	Very high	113 Å²	113	61.2 Å²	61.2	53%	0.528	30%	0.296	S	S	.	.	H	α-helix	trans	-64.8	-45.6	172.3	-76.7	171.1	-38.6	0	0	112	T580 K581 V582 Q586 K587 S588	T580-Q584 HydrophobicContact CG2-CG 4.32Å; T580-Q584 WeakPolarHBondContact O-CB 3.29Å; T580-Q584 VanDerWaalsContact O-CG 3.3Å; T580-Q584 WeakPolarHBondContact O-CG 3.38Å; T580-Q584 PolarHBondContact O-N 2.99Å; K581-Q584 PolarHBondContact O-N 3.41Å; V582-Q584 VanDerWaalsContact C-N 3.34Å; V582-Q584 PolarHBondContact O-N 3.12Å; Q584-Q586 VanDerWaalsContact C-N 3.33Å; Q584-Q586 PolarHBondContact O-N 3.04Å; Q584-K587 PolarHBondContact O-N 3.33Å; Q584-S588 PolarHBondContact O-N 3.5Å
585	N	95.7	Very high	96	Very high	94 Å²	94	59.6 Å²	59.6	50%	0.503	30%	0.296	S	S	.	.	H	α-helix	trans	-60.4	-41.1	176	-69.7	-15.7	0	0	0	112.3	K581 V582 S588 L589	K581-N585 VanDerWaalsContact O-CG 3.25Å; K581-N585 PolarHBondContact O-N 2.86Å; V582-N585 PolarHBondContact O-N 3.46Å; N585-S588 PolarHBondContact O-OG 2.86Å; N585-S588 VanDerWaalsContact O-OG 3.11Å; N585-L589 PolarHBondContact O-N 3.35Å; N585-L589 VanDerWaalsContact O-N 3.1Å
586	Q	96.4	Very high	96.2	Very high	28 Å²	28	62.9 Å²	62.9	13%	0.131	31%	0.308	C	S	.	.	H	α-helix	trans	-71.5	-36.5	178.1	-167.2	64.6	14.5	0	0	111.6	A430 I433 F434 V582 Q584 L589 I590	A430-Q586 VanDerWaalsContact CA-NE2 3.35Å; A430-Q586 PolarHBondContact O-NE2 2.86Å; I433-Q586 HydrophobicContact CG2-CG 4.34Å; F434-Q586 HydrophobicContact CB-CG 3.85Å; F434-Q586 HydrophobicContact CD2-CB 4.13Å; F434-Q586 HydrophobicContact CD2-CG 4.05Å; F434-Q586 HydrophobicContact CG-CG 4.47Å; V582-Q586 WeakPolarHBondContact O-CB 3.35Å; V582-Q586 PolarHBondContact O-N 3.11Å; Q584-Q586 VanDerWaalsContact C-N 3.33Å; Q584-Q586 PolarHBondContact O-N 3.04Å; Q586-L589 WeakPolarHBondContact O-CB 3.39Å; Q586-L589 PolarHBondContact O-N 3.33Å; Q586-I590 WeakPolarHBondContact O-CG1 3.48Å; Q586-I590 PolarHBondContact O-N 2.89Å
587	K	97.1	Very high	96.4	Very high	116 Å²	116	60.6 Å²	60.6	50%	0.504	30%	0.3	S	S	.	.	H	α-helix	trans	-64.3	-42.4	173.4	-163.9	-165	170.6	-174.2	0	111.8	F434 L583 Q584 L589 I590 Q591	F434-K587 HydrophobicContact CE2-CB 4.25Å; L583-K587 VanDerWaalsContact O-CB 3.3Å; L583-K587 WeakPolarHBondContact O-CB 3.45Å; L583-K587 PolarHBondContact O-N 3.09Å; Q584-K587 PolarHBondContact O-N 3.33Å; K587-L589 VanDerWaalsContact C-N 3.29Å; K587-L589 PolarHBondContact O-N 3.17Å; K587-I590 WeakPolarHBondContact O-CB 3.13Å; K587-I590 PolarHBondContact O-N 3.43Å; K587-Q591 VanDerWaalsContact CE-OE1 3.29Å; K587-Q591 WeakPolarHBondContact O-CG 3.42Å; K587-Q591 PolarHBondContact O-N 2.92Å; K587-Q591 PolarHBondContact O-OE1 3.19Å
588	S	97.8	Very high	96.6	Very high	31 Å²	31	67.6 Å²	67.6	22%	0.217	32%	0.324	C	S	.	.	H	α-helix	trans	-71.1	-22.5	177.2	74.7	0	0	0	0	113.2	Q584 N585 R592	Q584-S588 PolarHBondContact O-N 3.5Å; N585-S588 PolarHBondContact O-OG 2.86Å; N585-S588 VanDerWaalsContact O-OG 3.11Å; S588-R592 WeakPolarHBondContact O-CB 3.16Å; S588-R592 VanDerWaalsContact O-CG 3.25Å; S588-R592 WeakPolarHBondContact O-CG 2.95Å; S588-R592 PolarHBondContact O-N 3.09Å; S588-R592 PolarHBondContact O-NE 3.42Å
589	L	98.1	Very high	96.9	Very high	54 Å²	54	68.5 Å²	68.5	28%	0.283	33%	0.328	S	S	.	.	H	α-helix	trans	-67.7	-49.2	165.6	177	61.4	0	0	0	111.4	A430 N585 Q586 K587 R592 L593	A430-L589 HydrophobicContact CB-CD2 4.12Å; A430-L589 HydrophobicContact CB-CG 4.31Å; N585-L589 PolarHBondContact O-N 3.35Å; N585-L589 VanDerWaalsContact O-N 3.1Å; Q586-L589 WeakPolarHBondContact O-CB 3.39Å; Q586-L589 PolarHBondContact O-N 3.33Å; K587-L589 VanDerWaalsContact C-N 3.29Å; K587-L589 PolarHBondContact O-N 3.17Å; L589-R592 PolarHBondContact O-N 2.92Å; L589-L593 HydrophobicContact CD1-CD1 4.02Å; L589-L593 HydrophobicContact CD1-CG 4.24Å; L589-L593 HydrophobicContact CG-CD1 4.01Å; L589-L593 WeakPolarHBondContact O-CG 3.28Å; L589-L593 PolarHBondContact O-N 3.16Å
590	I	98.5	Very high	97.1	Very high	16 Å²	16	70.2 Å²	70.2	8%	0.082	34%	0.336	C	S	.	.	H	α-helix	trans	-57	-51.4	176.7	-72.1	165.7	0	0	0	110.7	L427 A430 Q431 F434 Q586 K587 R592 L593 E594	L427-I590 HydrophobicContact CD1-CB 4.45Å; L427-I590 HydrophobicContact CD1-CG2 3.92Å; A430-I590 HydrophobicContact CB-CG1 3.89Å; Q431-I590 HydrophobicContact CG-CD1 4.11Å; Q431-I590 HydrophobicContact CG-CG1 4.31Å; F434-I590 HydrophobicContact CB-CD1 3.72Å; F434-I590 HydrophobicContact CD2-CD1 4.17Å; F434-I590 HydrophobicContact CG-CD1 4Å; Q586-I590 WeakPolarHBondContact O-CG1 3.48Å; Q586-I590 PolarHBondContact O-N 2.89Å; K587-I590 WeakPolarHBondContact O-CB 3.13Å; K587-I590 PolarHBondContact O-N 3.43Å; I590-R592 VanDerWaalsContact C-N 3.28Å; I590-R592 PolarHBondContact O-N 3.18Å; I590-L593 PolarHBondContact O-N 3.18Å; I590-L593 VanDerWaalsContact O-N 3.16Å; I590-E594 HydrophobicContact CG2-CG 4.34Å; I590-E594 VanDerWaalsContact CG2-OE1 3.23Å; I590-E594 WeakPolarHBondContact CG2-OE1 3.2Å; I590-E594 WeakPolarHBondContact O-CB 3.38Å; I590-E594 WeakPolarHBondContact O-CG 3.48Å; I590-E594 PolarHBondContact O-N 3.44Å
591	Q	98.2	Very high	97.3	Very high	68 Å²	68	71.3 Å²	71.3	32%	0.318	34%	0.335	S	S	.	.	H	α-helix	trans	-60.2	-34.6	-179.9	-71	172.7	-105.9	0	0	113	K587 A595	K587-Q591 VanDerWaalsContact CE-OE1 3.29Å; K587-Q591 WeakPolarHBondContact O-CG 3.42Å; K587-Q591 PolarHBondContact O-N 2.92Å; K587-Q591 PolarHBondContact O-OE1 3.19Å; Q591-A595 WeakPolarHBondContact O-CB 3.47Å; Q591-A595 PolarHBondContact O-N 3.47Å
592	R	98.2	Very high	97.5	Very high	142 Å²	142	69.3 Å²	69.3	54%	0.536	34%	0.336	S	S	.	.	H	α-helix	trans	-71.7	-43.9	174.6	-76.6	-179.8	-61.8	121.4	-4.3	112.3	S588 L589 I590 E594 A595 E596	S588-R592 WeakPolarHBondContact O-CB 3.16Å; S588-R592 VanDerWaalsContact O-CG 3.25Å; S588-R592 WeakPolarHBondContact O-CG 2.95Å; S588-R592 PolarHBondContact O-N 3.09Å; S588-R592 PolarHBondContact O-NE 3.42Å; L589-R592 PolarHBondContact O-N 2.92Å; I590-R592 VanDerWaalsContact C-N 3.28Å; I590-R592 PolarHBondContact O-N 3.18Å; R592-E594 VanDerWaalsContact C-N 3.34Å; R592-A595 WeakPolarHBondContact O-CB 3.48Å; R592-A595 PolarHBondContact O-N 3.49Å; R592-E596 PolarHBondContact O-N 3.1Å
593	L	98.3	Very high	97.5	Very high	13 Å²	13	69.4 Å²	69.4	7%	0.068	34%	0.335	C	S	.	.	H	α-helix	trans	-61.9	-43.1	175.2	-70.2	167.5	0	0	0	111	L423 Q426 L427 A430 L589 I590 A595 E596 I597	L423-L593 HydrophobicContact CD2-CD2 3.93Å; Q426-L593 HydrophobicContact CB-CD1 4.24Å; Q426-L593 HydrophobicContact CB-CD2 4.11Å; L427-L593 HydrophobicContact CB-CB 4.43Å; L427-L593 HydrophobicContact CD1-CB 4.26Å; A430-L593 HydrophobicContact CB-CD1 3.88Å; L589-L593 HydrophobicContact CD1-CD1 4.02Å; L589-L593 HydrophobicContact CD1-CG 4.24Å; L589-L593 HydrophobicContact CG-CD1 4.01Å; L589-L593 WeakPolarHBondContact O-CG 3.28Å; L589-L593 PolarHBondContact O-N 3.16Å; I590-L593 PolarHBondContact O-N 3.18Å; I590-L593 VanDerWaalsContact O-N 3.16Å; L593-A595 VanDerWaalsContact C-N 3.3Å; L593-A595 PolarHBondContact O-N 2.95Å; L593-E596 PolarHBondContact O-N 3.15Å; L593-I597 WeakPolarHBondContact O-CB 3.32Å; L593-I597 WeakPolarHBondContact O-CD1 3.41Å; L593-I597 VanDerWaalsContact O-CG1 3.22Å; L593-I597 WeakPolarHBondContact O-CG1 3.22Å; L593-I597 PolarHBondContact O-N 3.21Å
594	E	98.4	Very high	97.6	Very high	69 Å²	69	70.9 Å²	70.9	32%	0.322	34%	0.338	S	S	.	.	H	α-helix	trans	-63.3	-32.4	174.1	-71.6	170.3	175.6	0	0	112.9	L427 I590 R592 R598	L427-E594 HydrophobicContact CD1-CG 3.78Å; L427-E594 HydrophobicContact CD2-CG 3.9Å; I590-E594 HydrophobicContact CG2-CG 4.34Å; I590-E594 VanDerWaalsContact CG2-OE1 3.23Å; I590-E594 WeakPolarHBondContact CG2-OE1 3.2Å; I590-E594 WeakPolarHBondContact O-CB 3.38Å; I590-E594 WeakPolarHBondContact O-CG 3.48Å; I590-E594 PolarHBondContact O-N 3.44Å; R592-E594 VanDerWaalsContact C-N 3.34Å; E594-R598 WeakPolarHBondContact O-CB 3.27Å; E594-R598 VanDerWaalsContact O-CG 3.27Å; E594-R598 WeakPolarHBondContact O-CG 3.47Å; E594-R598 PolarHBondContact O-N 2.83Å; E594-R598 PolarHBondContact O-NE 3.2Å
595	A	98.4	Very high	97.8	Very high	44 Å²	44	69.2 Å²	69.2	36%	0.364	33%	0.333	S	S	.	.	H	α-helix	trans	-71.7	-42.9	172	0	0	0	0	0	112.1	Q591 R592 L593 R598 Q599	Q591-A595 WeakPolarHBondContact O-CB 3.47Å; Q591-A595 PolarHBondContact O-N 3.47Å; R592-A595 WeakPolarHBondContact O-CB 3.48Å; R592-A595 PolarHBondContact O-N 3.49Å; L593-A595 VanDerWaalsContact C-N 3.3Å; L593-A595 PolarHBondContact O-N 2.95Å; A595-R598 PolarHBondContact O-N 2.7Å; A595-Q599 PolarHBondContact O-N 3.25Å
596	E	97.9	Very high	97.8	Very high	93 Å²	93	66.7 Å²	66.7	44%	0.435	33%	0.325	S	S	.	.	H	α-helix	trans	-68.6	-39.9	-179.9	-158.9	178	164	0	0	112	L423 R592 L593 R598 Q599 K600	L423-E596 HydrophobicContact CD1-CB 4.07Å; L423-E596 HydrophobicContact CD1-CG 3.7Å; L423-E596 HydrophobicContact CD2-CG 4.31Å; R592-E596 PolarHBondContact O-N 3.1Å; L593-E596 PolarHBondContact O-N 3.15Å; E596-R598 PolarHBondContact O-N 2.92Å; E596-Q599 PolarHBondContact O-N 3.17Å; E596-K600 WeakPolarHBondContact O-CB 3.4Å; E596-K600 WeakPolarHBondContact O-CG 3.2Å; E596-K600 PolarHBondContact O-N 2.75Å
597	I	98.5	Very high	97.8	Very high	12 Å²	12	65.8 Å²	65.8	6%	0.062	32%	0.322	C	S	.	.	H	α-helix	trans	-61.6	-43.1	171.9	-67.6	160.7	0	0	0	110.6	L423 E424 L427 L593 K600 K601	L423-I597 HydrophobicContact CB-CD1 4.12Å; L423-I597 HydrophobicContact CB-CG1 3.51Å; L423-I597 HydrophobicContact CD1-CG1 4.27Å; E424-I597 HydrophobicContact CG-CD1 3.97Å; E424-I597 HydrophobicContact CG-CG1 4.29Å; E424-I597 HydrophobicContact CG-CG2 4.26Å; L427-I597 HydrophobicContact CB-CD1 3.89Å; L427-I597 HydrophobicContact CD2-CD1 3.69Å; L427-I597 HydrophobicContact CG-CD1 4.4Å; L593-I597 WeakPolarHBondContact O-CB 3.32Å; L593-I597 WeakPolarHBondContact O-CD1 3.41Å; L593-I597 VanDerWaalsContact O-CG1 3.22Å; L593-I597 WeakPolarHBondContact O-CG1 3.22Å; L593-I597 PolarHBondContact O-N 3.21Å; I597-K600 PolarHBondContact O-N 2.96Å; I597-K601 HydrophobicContact CG2-CD 3.98Å; I597-K601 HydrophobicContact CG2-CG 4.46Å; I597-K601 WeakPolarHBondContact O-CB 3.3Å; I597-K601 WeakPolarHBondContact O-CG 3.46Å; I597-K601 PolarHBondContact O-N 3.04Å
598	R	98.4	Very high	97.9	Very high	164 Å²	164	63.5 Å²	63.5	62%	0.619	32%	0.315	S	S	*	.	H	α-helix	trans	-62.1	-42.8	175	-80.5	177.8	-69.1	161.3	-1.5	111.8	E594 A595 E596 A602	E594-R598 WeakPolarHBondContact O-CB 3.27Å; E594-R598 VanDerWaalsContact O-CG 3.27Å; E594-R598 WeakPolarHBondContact O-CG 3.47Å; E594-R598 PolarHBondContact O-N 2.83Å; E594-R598 PolarHBondContact O-NE 3.2Å; A595-R598 PolarHBondContact O-N 2.7Å; E596-R598 PolarHBondContact O-N 2.92Å; R598-A602 PolarHBondContact O-N 2.83Å
599	Q	97.8	Very high	97.8	Very high	108 Å²	108	69.5 Å²	69.5	51%	0.505	33%	0.332	S	S	.	.	H	α-helix	trans	-63.6	-46.4	175.2	-175.9	59.4	48.3	0	0	111.6	A595 E596 K601 A602 D603	A595-Q599 PolarHBondContact O-N 3.25Å; E596-Q599 PolarHBondContact O-N 3.17Å; Q599-K601 VanDerWaalsContact C-N 3.32Å; Q599-K601 PolarHBondContact O-N 3.11Å; Q599-A602 CarbonylContact O-C 3.56Å; Q599-A602 WeakPolarHBondContact O-CA 3.39Å; Q599-A602 WeakPolarHBondContact O-CB 3.41Å; Q599-A602 PolarHBondContact O-N 3.17Å; Q599-D603 PolarHBondContact NE2-OD1 3.39Å; Q599-D603 VanDerWaalsContact O-CG 3.24Å; Q599-D603 PolarHBondContact O-N 2.87Å
600	K	97.7	Very high	97.7	Very high	62 Å²	62	72.2 Å²	72.2	27%	0.27	34%	0.339	S	S	.	.	H	α-helix	trans	-68.2	-31.6	-178.9	-68	-73.3	154.2	-145.4	0	112.8	V419 I420 L423 E596 I597 D603 Y604	V419-K600 HydrophobicContact CB-CD 4.39Å; V419-K600 HydrophobicContact CG1-CD 3.79Å; V419-K600 HydrophobicContact CG1-CG 3.84Å; I420-K600 HydrophobicContact CD1-CB 4.46Å; I420-K600 HydrophobicContact CG1-CB 3.76Å; L423-K600 HydrophobicContact CD1-CG 4.02Å; E596-K600 WeakPolarHBondContact O-CB 3.4Å; E596-K600 WeakPolarHBondContact O-CG 3.2Å; E596-K600 PolarHBondContact O-N 2.75Å; I597-K600 PolarHBondContact O-N 2.96Å; K600-D603 WeakPolarHBondContact CD-OD2 3.34Å; K600-D603 WeakPolarHBondContact CE-OD2 3.45Å; K600-D603 IonicContact NZ-OD2 2.89Å; K600-D603 PolarHBondContact NZ-OD2 2.98Å; K600-D603 PolarHBondContact O-N 2.89Å; K600-Y604 WeakPolarHBondContact O-CB 3.47Å; K600-Y604 PolarHBondContact O-N 3.23Å
601	K	98.1	Very high	97.5	Very high	87 Å²	87	73 Å²	73	38%	0.378	34%	0.343	S	S	.	.	H	α-helix	trans	-68.6	-33.4	168.1	-72.6	179.5	-180	-177	0	112.2	I420 E424 I597 Q599 N605	I420-K601 HydrophobicContact CD1-CG 3.77Å; I420-K601 HydrophobicContact CG1-CG 4.13Å; E424-K601 WeakPolarHBondContact OE1-CE 3.35Å; E424-K601 IonicContact OE1-NZ 3.23Å; E424-K601 PolarHBondContact OE1-NZ 3.46Å; I597-K601 HydrophobicContact CG2-CD 3.98Å; I597-K601 HydrophobicContact CG2-CG 4.46Å; I597-K601 WeakPolarHBondContact O-CB 3.3Å; I597-K601 WeakPolarHBondContact O-CG 3.46Å; I597-K601 PolarHBondContact O-N 3.04Å; Q599-K601 VanDerWaalsContact C-N 3.32Å; Q599-K601 PolarHBondContact O-N 3.11Å; K601-N605 WeakPolarHBondContact O-CB 3.46Å; K601-N605 PolarHBondContact O-N 3.19Å; K601-N605 PolarHBondContact O-ND2 3.36Å
602	A	97.8	Very high	97.4	Very high	51 Å²	51	75.7 Å²	75.7	42%	0.421	36%	0.356	S	S	.	.	H	α-helix	trans	-67.1	-44.1	170.7	0	0	0	0	0	111.8	R598 Q599 Y604 N605 A606	R598-A602 PolarHBondContact O-N 2.83Å; Q599-A602 CarbonylContact O-C 3.56Å; Q599-A602 WeakPolarHBondContact O-CA 3.39Å; Q599-A602 WeakPolarHBondContact O-CB 3.41Å; Q599-A602 PolarHBondContact O-N 3.17Å; A602-Y604 PolarHBondContact O-N 2.88Å; A602-N605 PolarHBondContact O-N 3.05Å; A602-A606 WeakPolarHBondContact O-CB 3.39Å; A602-A606 PolarHBondContact O-N 3.04Å
603	D	95.7	Very high	97.2	Very high	50 Å²	50	74 Å²	74	27%	0.267	35%	0.354	S	S	.	.	H	α-helix	trans	-58.1	-47.8	175.2	-59.2	-16.7	0	0	0	111.1	Q599 K600 N605 A606 S607	Q599-D603 PolarHBondContact NE2-OD1 3.39Å; Q599-D603 VanDerWaalsContact O-CG 3.24Å; Q599-D603 PolarHBondContact O-N 2.87Å; K600-D603 WeakPolarHBondContact CD-OD2 3.34Å; K600-D603 WeakPolarHBondContact CE-OD2 3.45Å; K600-D603 IonicContact NZ-OD2 2.89Å; K600-D603 PolarHBondContact NZ-OD2 2.98Å; K600-D603 PolarHBondContact O-N 2.89Å; D603-N605 PolarHBondContact O-N 3.25Å; D603-A606 WeakPolarHBondContact O-CB 3.38Å; D603-A606 PolarHBondContact O-N 3.08Å; D603-A606 VanDerWaalsContact O-N 3.14Å; D603-S607 PolarHBondContact O-N 2.93Å
604	Y	98	Very high	96.9	Very high	73 Å²	73	73.8 Å²	73.8	29%	0.286	35%	0.353	S	S	.	.	H	α-helix	trans	-57.8	-46.5	175.9	177.4	-89.5	0	0	0	112.3	L413 A416 T417 I420 K600 A602 A606 S607 L608	L413-Y604 HydrophobicContact CD1-CE2 4.29Å; L413-Y604 HydrophobicContact CD2-CD2 4.46Å; L413-Y604 HydrophobicContact CD2-CE2 3.75Å; L413-Y604 HydrophobicContact CG-CD2 3.98Å; L413-Y604 HydrophobicContact CG-CE2 3.62Å; A416-Y604 HydrophobicContact CB-CD2 4.28Å; T417-Y604 WeakPolarHBondContact OG1-CE2 3.26Å; I420-Y604 HydrophobicContact CD1-CG 4.39Å; K600-Y604 WeakPolarHBondContact O-CB 3.47Å; K600-Y604 PolarHBondContact O-N 3.23Å; A602-Y604 PolarHBondContact O-N 2.88Å; Y604-A606 VanDerWaalsContact C-N 3.3Å; Y604-A606 PolarHBondContact O-N 2.98Å; Y604-S607 PolarHBondContact O-N 3.46Å; Y604-L608 HydrophobicContact CD1-CD1 3.94Å; Y604-L608 HydrophobicContact CE1-CD1 3.42Å; Y604-L608 VanDerWaalsContact CE1-CD1 3.42Å; Y604-L608 HydrophobicContact CE1-CG 4.19Å; Y604-L608 PolarHBondContact O-N 3.37Å
605	N	97.8	Very high	96.5	Very high	79 Å²	79	73.2 Å²	73.2	42%	0.422	36%	0.356	S	S	.	.	H	α-helix	trans	-67.5	-29.5	176.5	-82.3	-86.1	0	0	0	112.6	K601 A602 D603 R609	K601-N605 WeakPolarHBondContact O-CB 3.46Å; K601-N605 PolarHBondContact O-N 3.19Å; K601-N605 PolarHBondContact O-ND2 3.36Å; A602-N605 PolarHBondContact O-N 3.05Å; D603-N605 PolarHBondContact O-N 3.25Å; N605-R609 WeakPolarHBondContact O-CG 3.3Å; N605-R609 PolarHBondContact O-N 3.13Å; N605-R609 VanDerWaalsContact O-N 3.09Å
606	A	96.8	Very high	96.3	Very high	40 Å²	40	77.3 Å²	77.3	33%	0.331	37%	0.368	S	S	.	.	H	α-helix	trans	-69.3	-42.6	174.6	0	0	0	0	0	111.7	A602 D603 Y604 R609 R610	A602-A606 WeakPolarHBondContact O-CB 3.39Å; A602-A606 PolarHBondContact O-N 3.04Å; D603-A606 WeakPolarHBondContact O-CB 3.38Å; D603-A606 PolarHBondContact O-N 3.08Å; D603-A606 VanDerWaalsContact O-N 3.14Å; Y604-A606 VanDerWaalsContact C-N 3.3Å; Y604-A606 PolarHBondContact O-N 2.98Å; A606-R609 PolarHBondContact O-N 3.25Å; A606-R610 WeakPolarHBondContact O-CG 3.42Å; A606-R610 PolarHBondContact O-N 2.86Å
607	S	97.2	Very high	95.9	Very high	9 Å²	9	76 Å²	76	6%	0.063	36%	0.362	C	S	.	.	H	α-helix	trans	-66.3	-34.7	173.2	-73.3	0	0	0	0	112.8	E409 K412 D603 Y604 R610 L611	E409-S607 WeakPolarHBondContact OE2-CA 3.34Å; E409-S607 VanDerWaalsContact OE2-CB 3.23Å; E409-S607 WeakPolarHBondContact OE2-CB 3.33Å; E409-S607 PolarHBondContact OE2-OG 3.18Å; K412-S607 WeakPolarHBondContact CB-OG 3.21Å; D603-S607 PolarHBondContact O-N 2.93Å; Y604-S607 PolarHBondContact O-N 3.46Å; S607-R610 PolarHBondContact O-N 2.83Å; S607-L611 WeakPolarHBondContact O-CG 3.29Å; S607-L611 PolarHBondContact O-N 2.98Å
608	L	97.2	Very high	95.3	Very high	69 Å²	69	76.2 Å²	76.2	36%	0.361	36%	0.363	S	S	.	.	H	α-helix	trans	-61	-46.5	171.2	-79.7	177.7	0	0	0	112.5	L413 Y604 R610 L611 E612	L413-L608 HydrophobicContact CD1-CD2 3.61Å; L413-L608 HydrophobicContact CD1-CG 4.11Å; Y604-L608 HydrophobicContact CD1-CD1 3.94Å; Y604-L608 HydrophobicContact CE1-CD1 3.42Å; Y604-L608 VanDerWaalsContact CE1-CD1 3.42Å; Y604-L608 HydrophobicContact CE1-CG 4.19Å; Y604-L608 PolarHBondContact O-N 3.37Å; L608-R610 VanDerWaalsContact C-N 3.33Å; L608-R610 PolarHBondContact O-N 3.17Å; L608-L611 PolarHBondContact O-N 3.41Å; L608-E612 PolarHBondContact O-N 2.87Å
609	R	97.1	Very high	94.6	Very high	156 Å²	156	73.9 Å²	73.9	59%	0.589	36%	0.359	S	S	*	.	H	α-helix	trans	-61.7	-39.3	175.6	-70.9	176.4	-166	170.9	4.2	112.3	N605 A606 L611 E612 E613	N605-R609 WeakPolarHBondContact O-CG 3.3Å; N605-R609 PolarHBondContact O-N 3.13Å; N605-R609 VanDerWaalsContact O-N 3.09Å; A606-R609 PolarHBondContact O-N 3.25Å; R609-L611 VanDerWaalsContact C-N 3.32Å; R609-L611 PolarHBondContact O-N 3.09Å; R609-E612 CarbonylContact O-C 3.54Å; R609-E612 WeakPolarHBondContact O-CA 3.35Å; R609-E612 WeakPolarHBondContact O-CB 3.44Å; R609-E612 PolarHBondContact O-N 3.23Å; R609-E612 VanDerWaalsContact O-N 3.15Å; R609-E613 VanDerWaalsContact O-CG 3.26Å; R609-E613 WeakPolarHBondContact O-CG 3.39Å; R609-E613 PolarHBondContact O-N 3.32Å
610	R	95.6	Very high	94.2	Very high	112 Å²	112	74.5 Å²	74.5	42%	0.423	36%	0.362	S	S	.	.	H	α-helix	trans	-64.4	-35.7	174.9	-70.7	173.3	-178.7	-178.5	3.4	112.9	E409 A606 S607 L608 E612 E613 I614	E409-R610 HydrophobicContact CG-CB 3.92Å; E409-R610 VanDerWaalsContact OE1-CD 3.27Å; E409-R610 WeakPolarHBondContact OE1-CD 3.35Å; E409-R610 IonicContact OE1-CZ 2.71Å; E409-R610 IonicContact OE1-NE 2.65Å; E409-R610 IonicContact OE1-NH1 3.65Å; E409-R610 PolarHBondContact OE1-NH1 3.17Å; E409-R610 WeakPolarHBondContact OE2-CD 3.26Å; E409-R610 IonicContact OE2-NH1 3.77Å; A606-R610 WeakPolarHBondContact O-CG 3.42Å; A606-R610 PolarHBondContact O-N 2.86Å; S607-R610 PolarHBondContact O-N 2.83Å; L608-R610 VanDerWaalsContact C-N 3.33Å; L608-R610 PolarHBondContact O-N 3.17Å; R610-E612 VanDerWaalsContact C-N 3.32Å; R610-E613 PolarHBondContact O-N 3.35Å; R610-I614 WeakPolarHBondContact O-CB 3.47Å; R610-I614 VanDerWaalsContact O-CD1 3.25Å; R610-I614 WeakPolarHBondContact O-CD1 3.38Å; R610-I614 WeakPolarHBondContact O-CG1 3.46Å; R610-I614 PolarHBondContact O-N 3.28Å
611	L	95.2	Very high	93.4	Very high	32 Å²	32	76 Å²	76	17%	0.168	37%	0.368	C	S	.	.	H	α-helix	trans	-67.5	-34.5	173.7	-71.7	166.6	0	0	0	111.7	V406 E409 L410 L413 S607 L608 R609 S615	V406-L611 HydrophobicContact CB-CD2 4.42Å; V406-L611 HydrophobicContact CG1-CD2 4.02Å; E409-L611 HydrophobicContact CB-CD1 4.41Å; E409-L611 HydrophobicContact CB-CD2 3.83Å; E409-L611 HydrophobicContact CB-CG 3.84Å; L410-L611 HydrophobicContact CD2-CD1 3.91Å; L410-L611 HydrophobicContact CG-CD1 4.38Å; L410-L611 HydrophobicContact CG-CD2 4.26Å; L413-L611 HydrophobicContact CD1-CD1 4.07Å; S607-L611 WeakPolarHBondContact O-CG 3.29Å; S607-L611 PolarHBondContact O-N 2.98Å; L608-L611 PolarHBondContact O-N 3.41Å; R609-L611 VanDerWaalsContact C-N 3.32Å; R609-L611 PolarHBondContact O-N 3.09Å; L611-S615 VanDerWaalsContact O-CB 3.27Å; L611-S615 WeakPolarHBondContact O-CB 3.43Å; L611-S615 PolarHBondContact O-N 3.4Å
612	E	94.7	Very high	92.5	Very high	125 Å²	125	77 Å²	77	58%	0.584	37%	0.37	S	S	*	.	H	α-helix	trans	-65.1	-52.2	170.5	-167.5	166.4	-142.1	0	0	110.9	L608 R609 R610 I614 S615 E616	L608-E612 PolarHBondContact O-N 2.87Å; R609-E612 CarbonylContact O-C 3.54Å; R609-E612 WeakPolarHBondContact O-CA 3.35Å; R609-E612 WeakPolarHBondContact O-CB 3.44Å; R609-E612 PolarHBondContact O-N 3.23Å; R609-E612 VanDerWaalsContact O-N 3.15Å; R610-E612 VanDerWaalsContact C-N 3.32Å; E612-I614 PolarHBondContact O-N 2.94Å; E612-S615 WeakPolarHBondContact O-CA 3.46Å; E612-S615 WeakPolarHBondContact O-CB 3.47Å; E612-S615 PolarHBondContact O-N 2.83Å; E612-E616 WeakPolarHBondContact O-CG 3.38Å; E612-E616 PolarHBondContact O-N 3.4Å
613	E	95.1	Very high	91.5	Very high	107 Å²	107	79 Å²	79	50%	0.5	38%	0.38	S	S	.	.	H	α-helix	trans	-53.9	-46.8	174.8	-69.5	159.6	-163.5	0	0	112.6	R609 R610 S615 E616 E617	R609-E613 VanDerWaalsContact O-CG 3.26Å; R609-E613 WeakPolarHBondContact O-CG 3.39Å; R609-E613 PolarHBondContact O-N 3.32Å; R610-E613 PolarHBondContact O-N 3.35Å; E613-S615 VanDerWaalsContact C-N 3.34Å; E613-E616 PolarHBondContact O-N 2.92Å; E613-E617 WeakPolarHBondContact O-CB 3.41Å; E613-E617 PolarHBondContact O-N 3.48Å
614	I	91.1	Very high	89.9	Confident	8 Å²	8	82.6 Å²	82.6	4%	0.041	40%	0.399	C	S	.	.	H	α-helix	trans	-65.8	-38.6	177.3	-65.3	157.6	0	0	0	110.8	R405 V406 E409 R610 E612 I618	R405-I614 HydrophobicContact CB-CD1 3.84Å; R405-I614 HydrophobicContact CB-CG1 4.38Å; V406-I614 HydrophobicContact CG2-CG2 3.61Å; E409-I614 HydrophobicContact CG-CD1 4.29Å; R610-I614 WeakPolarHBondContact O-CB 3.47Å; R610-I614 VanDerWaalsContact O-CD1 3.25Å; R610-I614 WeakPolarHBondContact O-CD1 3.38Å; R610-I614 WeakPolarHBondContact O-CG1 3.46Å; R610-I614 PolarHBondContact O-N 3.28Å; E612-I614 PolarHBondContact O-N 2.94Å; I614-I618 HydrophobicContact CG2-CD1 3.81Å; I614-I618 HydrophobicContact CG2-CG1 4.49Å; I614-I618 WeakPolarHBondContact O-CB 3.4Å; I614-I618 WeakPolarHBondContact O-CD1 3.45Å; I614-I618 WeakPolarHBondContact O-CG1 3.48Å; I614-I618 PolarHBondContact O-N 2.93Å
615	S	91.2	Very high	88	Confident	56 Å²	56	81.9 Å²	81.9	39%	0.392	41%	0.414	S	S	.	.	H	α-helix	trans	-64	-48.7	176.2	-171.9	0	0	0	0	111	L611 E612 E613 E617 I618 H619	L611-S615 VanDerWaalsContact O-CB 3.27Å; L611-S615 WeakPolarHBondContact O-CB 3.43Å; L611-S615 PolarHBondContact O-N 3.4Å; E612-S615 WeakPolarHBondContact O-CA 3.46Å; E612-S615 WeakPolarHBondContact O-CB 3.47Å; E612-S615 PolarHBondContact O-N 2.83Å; E613-S615 VanDerWaalsContact C-N 3.34Å; S615-E617 PolarHBondContact O-N 2.95Å; S615-I618 PolarHBondContact O-N 2.9Å; S615-H619 PolarHBondContact O-CD2 3.01Å; S615-H619 PolarHBondContact O-N 2.91Å
616	E	92.5	Very high	85.7	Confident	130 Å²	130	87 Å²	87	61%	0.607	43%	0.432	S	S	*	.	H	α-helix	trans	-58.4	-45.6	175.8	-71.1	-170.3	147.4	0	0	111.7	E612 E613 I618 H619 E620	E612-E616 WeakPolarHBondContact O-CG 3.38Å; E612-E616 PolarHBondContact O-N 3.4Å; E613-E616 PolarHBondContact O-N 2.92Å; E616-I618 VanDerWaalsContact C-N 3.34Å; E616-I618 PolarHBondContact O-N 3.38Å; E616-H619 CarbonylContact O-C 3.55Å; E616-H619 PolarHBondContact O-N 3.06Å; E616-H619 VanDerWaalsContact O-N 3.11Å; E616-E620 WeakPolarHBondContact O-CB 3.43Å; E616-E620 PolarHBondContact O-N 2.72Å
617	E	91.1	Very high	83.1	Confident	65 Å²	65	96.3 Å²	96.3	30%	0.304	46%	0.459	S	S	.	.	H	α-helix	trans	-60	-41.4	176.6	-170.3	-166.6	136.6	0	0	112.1	R405 E613 S615 E620 K621	R405-E617 IonicContact CZ-OE1 2.89Å; R405-E617 IonicContact CZ-OE2 3.21Å; R405-E617 IonicContact NH1-OE1 3.15Å; R405-E617 PolarHBondContact NH1-OE1 3.19Å; R405-E617 IonicContact NH1-OE2 2.7Å; R405-E617 PolarHBondContact NH1-OE2 3.42Å; R405-E617 IonicContact NH2-OE2 2.87Å; R405-E617 PolarHBondContact NH2-OE2 3.41Å; E613-E617 WeakPolarHBondContact O-CB 3.41Å; E613-E617 PolarHBondContact O-N 3.48Å; S615-E617 PolarHBondContact O-N 2.95Å; E617-E620 PolarHBondContact O-N 3.42Å; E617-K621 HydrophobicContact CG-CD 4.47Å; E617-K621 WeakPolarHBondContact O-CB 3.26Å; E617-K621 WeakPolarHBondContact O-CD 3.42Å; E617-K621 WeakPolarHBondContact O-CG 3.39Å; E617-K621 PolarHBondContact O-N 2.97Å; E617-K621 WeakPolarHBondContact OE1-CE 3.49Å; E617-K621 IonicContact OE1-NZ 3.92Å; E617-K621 PolarHBondContact OE1-NZ 3.29Å
618	I	85.2	Confident	80.5	Confident	18 Å²	18	102.9 Å²	102.9	9%	0.092	49%	0.493	C	S	.	.	H	α-helix	trans	-66.4	-39.4	175	-69.2	165.5	0	0	0	111	D402 I614 S615 E616 R622	D402-I618 HydrophobicContact CB-CD1 4.08Å; D402-I618 HydrophobicContact CB-CG1 4.23Å; I614-I618 HydrophobicContact CG2-CD1 3.81Å; I614-I618 HydrophobicContact CG2-CG1 4.49Å; I614-I618 WeakPolarHBondContact O-CB 3.4Å; I614-I618 WeakPolarHBondContact O-CD1 3.45Å; I614-I618 WeakPolarHBondContact O-CG1 3.48Å; I614-I618 PolarHBondContact O-N 2.93Å; S615-I618 PolarHBondContact O-N 2.9Å; E616-I618 VanDerWaalsContact C-N 3.34Å; E616-I618 PolarHBondContact O-N 3.38Å; I618-R622 WeakPolarHBondContact O-CD 3.5Å; I618-R622 WeakPolarHBondContact O-CG 3.39Å; I618-R622 PolarHBondContact O-N 2.9Å
619	H	84.4	Confident	78	Confident	115 Å²	115	106.2 Å²	106.2	53%	0.532	52%	0.519	S	S	.	.	H	α-helix	trans	-69.6	-37.5	176.2	-83.3	-75.3	0	0	0	112.5	S615 E616 R622 S623	S615-H619 PolarHBondContact O-CD2 3.01Å; S615-H619 PolarHBondContact O-N 2.91Å; E616-H619 CarbonylContact O-C 3.55Å; E616-H619 PolarHBondContact O-N 3.06Å; E616-H619 VanDerWaalsContact O-N 3.11Å; H619-R622 PolarHBondContact O-N 2.86Å; H619-S623 WeakPolarHBondContact O-CB 3.22Å; H619-S623 PolarHBondContact O-N 3.07Å
620	E	87.7	Confident	75.4	Confident	120 Å²	120	102 Å²	102	56%	0.561	53%	0.525	S	S	*	.	H	α-helix	trans	-67	-47.8	174.9	-173.2	177.9	-155.3	0	0	111.2	E616 E617 R622 S623 L624	E616-E620 WeakPolarHBondContact O-CB 3.43Å; E616-E620 PolarHBondContact O-N 2.72Å; E617-E620 PolarHBondContact O-N 3.42Å; E620-R622 PolarHBondContact O-N 3.13Å; E620-R622 VanDerWaalsContact O-N 3.14Å; E620-S623 PolarHBondContact O-N 3.27Å; E620-L624 HydrophobicContact CG-CD1 3.8Å; E620-L624 HydrophobicContact CG-CG 4.01Å; E620-L624 WeakPolarHBondContact O-CB 3.32Å; E620-L624 WeakPolarHBondContact O-CG 3.34Å; E620-L624 PolarHBondContact O-N 2.8Å
621	K	81.9	Confident	73	Confident	95 Å²	95	103.7 Å²	103.7	41%	0.413	55%	0.547	S	S	.	.	H	α-helix	trans	-50.5	-39.1	172.2	-76.1	163.8	-179.6	163	0	112.1	D402 E617	D402-K621 IonicContact OD1-NZ 2.64Å; D402-K621 PolarHBondContact OD1-NZ 3.33Å; D402-K621 IonicContact OD2-NZ 3.71Å; D402-K621 PolarHBondContact OD2-NZ 3.38Å; E617-K621 HydrophobicContact CG-CD 4.47Å; E617-K621 WeakPolarHBondContact O-CB 3.26Å; E617-K621 WeakPolarHBondContact O-CD 3.42Å; E617-K621 WeakPolarHBondContact O-CG 3.39Å; E617-K621 PolarHBondContact O-N 2.97Å; E617-K621 WeakPolarHBondContact OE1-CE 3.49Å; E617-K621 IonicContact OE1-NZ 3.92Å; E617-K621 PolarHBondContact OE1-NZ 3.29Å
622	R	78.6	Confident	70.4	Confident	108 Å²	108	105.9 Å²	105.9	41%	0.408	58%	0.577	S	S	.	*	H	α-helix	trans	-75.7	-33.3	177.2	-69.6	165.9	-176.7	174.2	0.5	113.1	P397 T398 I618 H619 E620	P397-R622 HydrophobicContact CB-CG 3.99Å; P397-R622 PolarHBondContact O-NE 3.08Å; P397-R622 PolarHBondContact O-NH2 2.95Å; T398-R622 PolarHBondContact OG1-NH2 3.07Å; I618-R622 WeakPolarHBondContact O-CD 3.5Å; I618-R622 WeakPolarHBondContact O-CG 3.39Å; I618-R622 PolarHBondContact O-N 2.9Å; H619-R622 PolarHBondContact O-N 2.86Å; E620-R622 PolarHBondContact O-N 3.13Å; E620-R622 VanDerWaalsContact O-N 3.14Å
623	S	76.7	Confident	67.9	Low	92 Å²	92	105.2 Å²	105.2	64%	0.643	59%	0.586	S	S	*	*	H	α-helix	trans	-75.2	-37.9	178.2	-170	0	0	0	0	112.9	H619 E620 G625	H619-S623 WeakPolarHBondContact O-CB 3.22Å; H619-S623 PolarHBondContact O-N 3.07Å; E620-S623 PolarHBondContact O-N 3.27Å; S623-G625 PolarHBondContact O-N 2.95Å
624	L	63.1	Low	65.2	Low	126 Å²	126	109.1 Å²	109.1	66%	0.66	61%	0.605	S	S	*	*	S	Bend	trans	-68.7	-13.7	175	-68.7	176.1	0	0	0	113.1	E620 K626	E620-L624 HydrophobicContact CG-CD1 3.8Å; E620-L624 HydrophobicContact CG-CG 4.01Å; E620-L624 WeakPolarHBondContact O-CB 3.32Å; E620-L624 WeakPolarHBondContact O-CG 3.34Å; E620-L624 PolarHBondContact O-N 2.8Å; L624-K626 PolarHBondContact O-N 2.82Å
625	G	56.8	Low	63.2	Low	58 Å²	58	113.5 Å²	113.5	60%	0.598	64%	0.636	S	S	*	*			trans	-67.7	56.3	166	0	0	0	0	0	113.4	S623 R627	S623-G625 PolarHBondContact O-N 2.95Å; G625-R627 PolarHBondContact O-N 3.14Å
626	K	49.7	Very low	60.9	Low	186 Å²	186	117.4 Å²	117.4	81%	0.809	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-59	125.3	175.8	-87	179.2	173.6	171.5	0	110.3	L624 D628	L624-K626 PolarHBondContact O-N 2.82Å; K626-D628 PolarHBondContact O-N 2.91Å
627	R	42.7	Very low	58.4	Low	236 Å²	236	114.1 Å²	114.1	89%	0.891	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-57.1	129.8	170.8	-63.3	169.5	110.1	111.7	-4.8	109.9	G625 P629	G625-R627 PolarHBondContact O-N 3.14Å; R627-P629 WeakPolarHBondContact O-CD 3.29Å
628	D	43.5	Very low	56.2	Low	146 Å²	146	116.5 Å²	116.5	78%	0.781	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-59.9	128.9	168.8	-70.6	-67.5	0	0	0	111	K626 G630	K626-D628 PolarHBondContact O-N 2.91Å; D628-G630 VanDerWaalsContact C-N 3.33Å; D628-G630 PolarHBondContact O-N 3.49Å
629	P	44.5	Very low	54	Low	140 Å²	140	121 Å²	121	91%	0.909	71%	0.712	S	S	*	*	S	Bend	trans	-73.8	78.9	176.5	-17	32.2	0	0	0	112	R627	R627-P629 WeakPolarHBondContact O-CD 3.29Å
630	G	43	Very low	51.5	Low	68 Å²	68	121.9 Å²	121.9	70%	0.701	73%	0.73	S	S	*	*			trans	168.7	34.5	177.2	0	0	0	0	0	121.3	D628	D628-G630 VanDerWaalsContact C-N 3.33Å; D628-G630 PolarHBondContact O-N 3.49Å
631	V	44.9	Very low	48.9	Very low	147 Å²	147	121.8 Å²	121.8	89%	0.891	74%	0.738	S	S	*	*			trans	-133.1	119.1	158.9	-75.5	0	0	0	0	110.5
632	G	40.6	Very low	46.5	Very low	78 Å²	78	121.7 Å²	121.7	80%	0.804	75%	0.749	S	S	*	*			trans	-96.3	139.6	-172	0	0	0	0	0	113.8
633	S	42.6	Very low	44.6	Very low	111 Å²	111	124.5 Å²	124.5	78%	0.776	77%	0.771	S	S	*	*			trans	-156.1	105.2	142.4	-171.4	0	0	0	0	108
634	E	36.8	Very low	43.1	Very low	189 Å²	189	123 Å²	123	88%	0.883	76%	0.761	S	S	*	*			trans	-92.1	123.3	-179.1	-64.5	-179.5	-149.4	0	0	108.9
635	S	50.2	Low	42.4	Very low	99 Å²	99	125.4 Å²	125.4	69%	0.692	77%	0.768	S	S	*	*			trans	-152.7	106.5	-179.8	-76	0	0	0	0	109.6	G637	S635-G637 PolarHBondContact O-N 3.33Å
636	P	41.7	Very low	42.3	Very low	138 Å²	138	125.5 Å²	125.5	90%	0.896	76%	0.764	S	S	*	*			trans	-68.8	86.6	-179.4	-21.8	34.8	0	0	0	112.5
637	G	39.9	Very low	42.8	Very low	61 Å²	61	118.7 Å²	118.7	63%	0.629	74%	0.74	S	S	*	*			trans	-61.4	144.9	164.4	0	0	0	0	0	110.7	S635	S635-G637 PolarHBondContact O-N 3.33Å
638	P	46.4	Very low	43.6	Very low	115 Å²	115	113.1 Å²	113.1	75%	0.747	73%	0.727	S	S	*	*			trans	-63.9	151	-176.8	27.8	-35.3	0	0	0	111.1	C640	P638-C640 PolarHBondContact O-N 2.91Å; P638-C640 VanDerWaalsContact O-N 3.08Å
639	P	38.4	Very low	44.7	Very low	112 Å²	112	108.9 Å²	108.9	73%	0.727	71%	0.712	S	S	*	*			trans	-64	115.2	176.3	27.1	-33.6	0	0	0	109.6	T641	P639-T641 VanDerWaalsContact C-N 3.25Å; P639-T641 PolarHBondContact O-N 3.22Å
640	C	31.5	Very low	45.9	Very low	134 Å²	134	109.2 Å²	109.2	91%	0.905	70%	0.702	S	S	*	*			trans	-65.1	91.5	165.2	-80.9	0	0	0	0	108.5	P638 S642	P638-C640 PolarHBondContact O-N 2.91Å; P638-C640 VanDerWaalsContact O-N 3.08Å; C640-S642 PolarHBondContact O-N 3.12Å
641	T	33.1	Very low	47.1	Very low	119 Å²	119	115.1 Å²	115.1	73%	0.73	70%	0.703	S	S	*	*			trans	-58	108.9	-177.3	47.9	0	0	0	0	110.8	P639	P639-T641 VanDerWaalsContact C-N 3.25Å; P639-T641 PolarHBondContact O-N 3.22Å
642	S	32.8	Very low	48.5	Very low	93 Å²	93	114.7 Å²	114.7	65%	0.65	69%	0.689	S	S	*	*			trans	27.2	98.8	150.1	59.2	0	0	0	0	116	C640 S644	C640-S642 PolarHBondContact O-N 3.12Å; S642-S644 PolarHBondContact O-N 2.91Å
643	L	38.9	Very low	50	Low	167 Å²	167	113.3 Å²	113.3	87%	0.874	67%	0.67	S	S	*	*			trans	-62.4	89.7	139.8	-71.9	178	0	0	0	106.2
644	S	43.4	Very low	51.4	Low	60 Å²	60	110.6 Å²	110.6	42%	0.42	65%	0.654	S	S	.	*			trans	-61.2	156.8	-173.4	57.2	0	0	0	0	110.7	S642 A646 S647	S642-S644 PolarHBondContact O-N 2.91Å; S644-A646 PolarHBondContact O-N 2.89Å; S644-S647 WeakPolarHBondContact O-CB 3.1Å; S644-S647 PolarHBondContact O-N 3.42Å; S644-S647 PolarHBondContact O-OG 2.84Å
645	E	50.1	Low	52.9	Low	176 Å²	176	105.8 Å²	105.8	82%	0.822	64%	0.637	S	S	*	*	H	α-helix	trans	-56.1	-27.5	179.2	-64.7	164.9	113.9	0	0	111.9	S647 L648 A649	E645-S647 VanDerWaalsContact C-N 3.27Å; E645-S647 PolarHBondContact O-N 3.49Å; E645-L648 PolarHBondContact O-N 3.31Å; E645-L648 VanDerWaalsContact O-N 3.11Å; E645-A649 WeakPolarHBondContact O-CB 3.46Å; E645-A649 PolarHBondContact O-N 3.03Å
646	A	54.9	Low	53.7	Low	60 Å²	60	106.8 Å²	106.8	50%	0.496	63%	0.631	S	S	.	*	H	α-helix	trans	-53.9	-38.5	169.3	0	0	0	0	0	113.2	S644 A649 Q650	S644-A646 PolarHBondContact O-N 2.89Å; A646-A649 PolarHBondContact O-N 3.26Å; A646-Q650 WeakPolarHBondContact O-CB 3.48Å; A646-Q650 PolarHBondContact O-N 3.2Å
647	S	58.7	Low	55.1	Low	44 Å²	44	103.9 Å²	103.9	31%	0.308	61%	0.614	S	S	.	*	H	α-helix	trans	-69.8	-31.3	177.5	70.8	0	0	0	0	113.2	S644 E645 R651	S644-S647 WeakPolarHBondContact O-CB 3.1Å; S644-S647 PolarHBondContact O-N 3.42Å; S644-S647 PolarHBondContact O-OG 2.84Å; E645-S647 VanDerWaalsContact C-N 3.27Å; E645-S647 PolarHBondContact O-N 3.49Å; S647-R651 PolarHBondContact O-N 3.35Å; S647-R651 VanDerWaalsContact O-N 3.11Å
648	L	59.8	Low	56.1	Low	118 Å²	118	107.7 Å²	107.7	62%	0.618	61%	0.614	S	S	*	*	H	α-helix	trans	-78.4	-40.5	174.8	-163.3	75.3	0	0	0	111.2	E645 R651 K652	E645-L648 PolarHBondContact O-N 3.31Å; E645-L648 VanDerWaalsContact O-N 3.11Å; L648-R651 PolarHBondContact O-N 2.9Å; L648-K652 PolarHBondContact O-N 3.22Å
649	A	66.6	Low	56.5	Low	57 Å²	57	108 Å²	108	47%	0.471	61%	0.608	S	S	.	*	H	α-helix	trans	-62.6	-41.7	172.7	0	0	0	0	0	111.6	E645 A646 R651 K652 A653	E645-A649 WeakPolarHBondContact O-CB 3.46Å; E645-A649 PolarHBondContact O-N 3.03Å; A646-A649 PolarHBondContact O-N 3.26Å; A649-R651 VanDerWaalsContact C-N 3.33Å; A649-R651 PolarHBondContact O-N 3.15Å; A649-K652 PolarHBondContact O-N 2.89Å; A649-A653 WeakPolarHBondContact O-CB 3.38Å; A649-A653 PolarHBondContact O-N 2.85Å
650	Q	70.2	Confident	57.2	Low	148 Å²	148	106.4 Å²	106.4	69%	0.692	60%	0.604	S	S	*	*	H	α-helix	trans	-69.9	-29.8	176.6	-166.9	167.6	10.8	0	0	112	A646 A654	A646-Q650 WeakPolarHBondContact O-CB 3.48Å; A646-Q650 PolarHBondContact O-N 3.2Å; Q650-A654 VanDerWaalsContact O-CB 3.24Å; Q650-A654 WeakPolarHBondContact O-CB 3.35Å; Q650-A654 PolarHBondContact O-N 3.18Å
651	R	68.5	Low	57.9	Low	192 Å²	192	102.8 Å²	102.8	73%	0.725	59%	0.59	S	S	*	*	H	α-helix	trans	-68.7	-42.4	166.7	-94.2	179.8	157.9	176.2	-6.7	112.9	S647 L648 A649 A654 V655	S647-R651 PolarHBondContact O-N 3.35Å; S647-R651 VanDerWaalsContact O-N 3.11Å; L648-R651 PolarHBondContact O-N 2.9Å; A649-R651 VanDerWaalsContact C-N 3.33Å; A649-R651 PolarHBondContact O-N 3.15Å; R651-A654 PolarHBondContact O-N 2.96Å; R651-V655 WeakPolarHBondContact O-CG2 3.44Å; R651-V655 PolarHBondContact O-N 3.03Å
652	K	73	Confident	58.2	Low	137 Å²	137	103.7 Å²	103.7	60%	0.596	59%	0.586	S	S	*	*	H	α-helix	trans	-61.1	-50.6	173	-83.6	-169	169.1	-171.2	0	111.5	L648 A649 A654 V655 E656	L648-K652 PolarHBondContact O-N 3.22Å; A649-K652 PolarHBondContact O-N 2.89Å; K652-A654 VanDerWaalsContact C-N 3.27Å; K652-A654 PolarHBondContact O-N 3.28Å; K652-V655 CarbonylContact O-C 3.6Å; K652-V655 PolarHBondContact O-N 2.88Å; K652-E656 WeakPolarHBondContact O-CB 3.18Å; K652-E656 WeakPolarHBondContact O-CG 3.3Å; K652-E656 PolarHBondContact O-N 3.26Å
653	A	72.4	Confident	58.2	Low	50 Å²	50	102.6 Å²	102.6	41%	0.413	59%	0.589	S	S	.	*	H	α-helix	trans	-61.1	-32.4	177.1	0	0	0	0	0	113	A649 S657	A649-A653 WeakPolarHBondContact O-CB 3.38Å; A649-A653 PolarHBondContact O-N 2.85Å; A653-S657 VanDerWaalsContact O-CB 3.27Å; A653-S657 WeakPolarHBondContact O-CB 3.49Å; A653-S657 PolarHBondContact O-N 2.97Å; A653-S657 PolarHBondContact O-OG 2.91Å
654	A	71.7	Confident	57.8	Low	54 Å²	54	102.9 Å²	102.9	45%	0.446	59%	0.586	S	S	.	*	H	α-helix	trans	-68	-38.7	171.7	0	0	0	0	0	112.5	Q650 R651 K652 S657 F658	Q650-A654 VanDerWaalsContact O-CB 3.24Å; Q650-A654 WeakPolarHBondContact O-CB 3.35Å; Q650-A654 PolarHBondContact O-N 3.18Å; R651-A654 PolarHBondContact O-N 2.96Å; K652-A654 VanDerWaalsContact C-N 3.27Å; K652-A654 PolarHBondContact O-N 3.28Å; A654-S657 WeakPolarHBondContact CA-OG 3.39Å; A654-S657 PolarHBondContact O-OG 3.02Å; A654-F658 VanDerWaalsContact O-CB 3.25Å; A654-F658 WeakPolarHBondContact O-CB 3.44Å; A654-F658 PolarHBondContact O-N 3.18Å
655	V	67.9	Low	57.2	Low	87 Å²	87	111.4 Å²	111.4	53%	0.527	61%	0.609	S	S	.	*	H	α-helix	trans	-71.2	-43	175.2	172.1	0	0	0	0	111.2	R651 K652 F658 L659	R651-V655 WeakPolarHBondContact O-CG2 3.44Å; R651-V655 PolarHBondContact O-N 3.03Å; K652-V655 CarbonylContact O-C 3.6Å; K652-V655 PolarHBondContact O-N 2.88Å; V655-F658 PolarHBondContact O-N 3.37Å; V655-L659 HydrophobicContact CG1-CD1 3.99Å; V655-L659 HydrophobicContact CG1-CG 4.5Å; V655-L659 WeakPolarHBondContact O-CG 3.24Å; V655-L659 PolarHBondContact O-N 2.82Å
656	E	68.6	Low	56.4	Low	121 Å²	121	111.9 Å²	111.9	57%	0.565	61%	0.611	S	S	*	*	H	α-helix	trans	-65.6	-40.8	177.9	-71.8	163.6	-179.2	0	0	111.7	K652 L659 A660	K652-E656 WeakPolarHBondContact O-CB 3.18Å; K652-E656 WeakPolarHBondContact O-CG 3.3Å; K652-E656 PolarHBondContact O-N 3.26Å; E656-L659 PolarHBondContact O-N 3.26Å; E656-A660 WeakPolarHBondContact O-CB 3.44Å; E656-A660 PolarHBondContact O-N 2.95Å
657	S	69.7	Low	55.1	Low	77 Å²	77	114.6 Å²	114.6	54%	0.538	63%	0.627	S	S	.	*	H	α-helix	trans	-70.1	-31	172.7	57.3	0	0	0	0	113.4	A653 A654 G661	A653-S657 VanDerWaalsContact O-CB 3.27Å; A653-S657 WeakPolarHBondContact O-CB 3.49Å; A653-S657 PolarHBondContact O-N 2.97Å; A653-S657 PolarHBondContact O-OG 2.91Å; A654-S657 WeakPolarHBondContact CA-OG 3.39Å; A654-S657 PolarHBondContact O-OG 3.02Å; S657-G661 PolarHBondContact O-N 2.86Å
658	F	60.7	Low	54	Low	141 Å²	141	118.8 Å²	118.8	62%	0.618	65%	0.65	S	S	*	*	H	α-helix	trans	-68.9	-38.4	172.4	-173.7	-97.9	0	0	0	112.3	A654 V655 Q662	A654-F658 VanDerWaalsContact O-CB 3.25Å; A654-F658 WeakPolarHBondContact O-CB 3.44Å; A654-F658 PolarHBondContact O-N 3.18Å; V655-F658 PolarHBondContact O-N 3.37Å; F658-Q662 WeakPolarHBondContact O-CG 3.39Å
659	L	56	Low	52.4	Low	121 Å²	121	120 Å²	120	63%	0.634	66%	0.657	S	S	*	*	H	α-helix	trans	-71	-40.2	175.1	-70.6	170.5	0	0	0	112.1	V655 E656	V655-L659 HydrophobicContact CG1-CD1 3.99Å; V655-L659 HydrophobicContact CG1-CG 4.5Å; V655-L659 WeakPolarHBondContact O-CG 3.24Å; V655-L659 PolarHBondContact O-N 2.82Å; E656-L659 PolarHBondContact O-N 3.26Å
660	A	52.9	Low	50.9	Low	78 Å²	78	124 Å²	124	65%	0.645	68%	0.676	S	S	*	*	H	α-helix	trans	-65.4	-38	172.8	0	0	0	0	0	112.3	E656 Q662 G663	E656-A660 WeakPolarHBondContact O-CB 3.44Å; E656-A660 PolarHBondContact O-N 2.95Å; A660-Q662 PolarHBondContact O-N 3.04Å; A660-G663 PolarHBondContact O-N 3.42Å
661	G	45.7	Very low	48.8	Very low	58 Å²	58	121.9 Å²	121.9	60%	0.598	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	-9.2	-178.5	0	0	0	0	0	115.8	S657 G663	S657-G661 PolarHBondContact O-N 2.86Å; G661-G663 VanDerWaalsContact C-N 3.34Å
662	Q	39.7	Very low	47	Very low	139 Å²	139	116.9 Å²	116.9	65%	0.65	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-4.7	174	-66.3	-77.5	-27.3	0	0	112.9	F658 A660 E664	F658-Q662 WeakPolarHBondContact O-CG 3.39Å; A660-Q662 PolarHBondContact O-N 3.04Å; Q662-E664 PolarHBondContact O-N 2.88Å
663	G	33.3	Very low	45	Very low	69 Å²	69	118.9 Å²	118.9	71%	0.711	69%	0.688	S	S	*	*	S	Bend	trans	-73.8	-16.7	-176.2	0	0	0	0	0	116.1	A660 G661	A660-G663 PolarHBondContact O-N 3.42Å; G661-G663 VanDerWaalsContact C-N 3.34Å
664	E	30.4	Very low	43.1	Very low	173 Å²	173	124.5 Å²	124.5	81%	0.808	71%	0.71	S	S	*	*			trans	-125	103	-175.3	-71.1	-165.7	105.4	0	0	113.1	Q662	Q662-E664 PolarHBondContact O-N 2.88Å
665	R	31.4	Very low	41.5	Very low	240 Å²	240	127.4 Å²	127.4	91%	0.906	72%	0.724	S	S	*	*			trans	164.2	98.7	135.6	-90.3	159.3	-175.4	-146.2	1.6	112.6
666	Q	32.8	Very low	39.8	Very low	185 Å²	185	129.8 Å²	129.8	86%	0.864	73%	0.734	S	S	*	*				176.7	102.8	106.3	-94.4	-176.9	10.5	0	0	110.4
667	S	26.2	Very low	38.1	Very low	118 Å²	118	128 Å²	128	83%	0.825	74%	0.74	S	S	*	*			trans	-75.9	123.5	171.5	54.5	0	0	0	0	111.2
668	V	35.5	Very low	36.2	Very low	132 Å²	132	130 Å²	130	80%	0.8	75%	0.753	S	S	*	*			trans	-122.2	115.6	162	-174.5	0	0	0	0	107.9	V670	V668-V670 PolarHBondContact O-N 3.04Å
669	N	27.7	Very low	34.9	Very low	143 Å²	143	128.7 Å²	128.7	77%	0.765	76%	0.761	S	S	*	*			trans	-72.8	121.6	-175.4	-88.6	-30.1	0	0	0	112.1
670	V	33.6	Very low	33.8	Very low	142 Å²	142	127.6 Å²	127.6	86%	0.861	77%	0.769	S	S	*	*			trans	-133.6	87.6	152.6	-175.4	0	0	0	0	108.1	V668	V668-V670 PolarHBondContact O-N 3.04Å
671	S	27.7	Very low	32.6	Very low	103 Å²	103	128 Å²	128	72%	0.72	77%	0.773	S	S	*	*			trans	-82.7	121.3	-177.1	-53.7	0	0	0	0	112
672	A	30.3	Very low	31.8	Very low	87 Å²	87	132.8 Å²	132.8	72%	0.719	78%	0.784	S	S	*	*			trans	-154	104	161.5	0	0	0	0	0	111.9
673	Q	30.8	Very low	31.4	Very low	178 Å²	178	132.6 Å²	132.6	83%	0.832	79%	0.787	S	S	*	*			trans	24.4	105.9	159.4	-87	72.8	-21.3	0	0	119.5
674	L	33.2	Very low	31.3	Very low	168 Å²	168	135.5 Å²	135.5	88%	0.88	79%	0.791	S	S	*	*			trans	-117.3	130.3	143.3	-102.7	169.2	0	0	0	109.5
675	P	37.3	Very low	31.2	Very low	115 Å²	115	136 Å²	136	75%	0.747	79%	0.793	S	S	*	*			trans	-109.3	108.9	151.4	32.1	-21.5	0	0	0	108.1
676	N	32.2	Very low	31	Very low	137 Å²	137	128 Å²	128	73%	0.733	79%	0.786	S	S	*	*				78	132.1	51.8	-151.7	17.5	0	0	0	114.4
677	A	32.4	Very low	30.8	Very low	83 Å²	83	123.5 Å²	123.5	69%	0.686	78%	0.78	S	S	*	*			trans	62.4	118.8	164.6	0	0	0	0	0	121.4
678	C	31	Very low	31.1	Very low	121 Å²	121	124 Å²	124	82%	0.818	78%	0.784	S	S	*	*				156.2	137.1	119	-83.4	0	0	0	0	110.8
679	S	32.1	Very low	31.1	Very low	112 Å²	112	124.9 Å²	124.9	78%	0.783	78%	0.782	S	S	*	*			cis	-157.5	160.4	-15.4	-88.9	0	0	0	0	109
680	A	34.3	Very low	31.6	Very low	98 Å²	98	123.2 Å²	123.2	81%	0.81	78%	0.779	S	S	*	*			trans	-82.9	170.4	172.7	0	0	0	0	0	112.6
681	A	26.8	Very low	31.6	Very low	88 Å²	88	125.1 Å²	125.1	73%	0.727	78%	0.784	S	S	*	*			trans	66.1	120.3	169.4	0	0	0	0	0	117.9
682	L	28.5	Very low	31.6	Very low	157 Å²	157	124.3 Å²	124.3	82%	0.822	78%	0.783	S	S	*	*				-168.9	137	111.2	-121.8	64.1	0	0	0	112.5
683	L	31.5	Very low	31.9	Very low	136 Å²	136	127.4 Å²	127.4	71%	0.712	79%	0.793	S	S	*	*			trans	49.4	119.3	147.8	-67.4	165.6	0	0	0	121.9	Q685	L683-Q685 PolarHBondContact O-N 2.56Å
684	T	31.6	Very low	31.9	Very low	130 Å²	130	127.4 Å²	127.4	80%	0.798	79%	0.793	S	S	*	*			trans	-54.4	116.3	133.1	33.4	0	0	0	0	111.6
685	Q	28.4	Very low	32	Very low	182 Å²	182	123.8 Å²	123.8	85%	0.85	79%	0.788	S	S	*	*			trans	175.3	140.6	144.6	-103.7	166.9	66.4	0	0	113.1	L683	L683-Q685 PolarHBondContact O-N 2.56Å
686	G	26.9	Very low	31.8	Very low	73 Å²	73	121.8 Å²	121.8	75%	0.753	79%	0.787	S	S	*	*				92.6	117.1	127.9	0	0	0	0	0	120.7
687	A	28.3	Very low	32	Very low	90 Å²	90	123.1 Å²	123.1	74%	0.744	80%	0.795	S	S	*	*			trans	70	122	141.1	0	0	0	0	0	121.3
688	S	33.7	Very low	32.5	Very low	130 Å²	130	124.7 Å²	124.7	91%	0.909	80%	0.798	S	S	*	*			trans	-139.8	94.9	143.8	-79.4	0	0	0	0	109.4
689	I	35.3	Very low	32.8	Very low	149 Å²	149	127.1 Å²	127.1	76%	0.764	80%	0.797	S	S	*	*			trans	-141.9	149.8	-176.3	-66.6	175.2	0	0	0	105.8
690	P	37.6	Very low	32.9	Very low	108 Å²	108	129.9 Å²	129.9	70%	0.701	80%	0.797	S	S	*	*			cis	-120.3	177.3	-6.7	35.5	-20.4	0	0	0	113.8
691	L	33.5	Very low	32.8	Very low	183 Å²	183	128.7 Å²	128.7	96%	0.958	80%	0.795	S	S	*	*			trans	-126.4	117.8	146.3	-113	166.6	0	0	0	107.7
692	A	28.2	Very low	33.2	Very low	85 Å²	85	129.4 Å²	129.4	70%	0.702	80%	0.8	S	S	*	*			trans	-98.4	141.2	-165.4	0	0	0	0	0	113.8
693	V	37.1	Very low	33.4	Very low	153 Å²	153	127.3 Å²	127.3	93%	0.927	80%	0.799	S	S	*	*			trans	-135.5	151	158.1	-177.3	0	0	0	0	107.3
694	E	30	Very low	33.5	Very low	177 Å²	177	127.7 Å²	127.7	83%	0.827	80%	0.801	S	S	*	*			trans	-101.9	163.9	-158.8	-98.6	-78.8	-162.5	0	0	116.2
695	A	35.3	Very low	33.8	Very low	93 Å²	93	130.7 Å²	130.7	77%	0.769	80%	0.803	S	S	*	*			trans	65.7	145.6	160.1	0	0	0	0	0	120.9
696	G	34.1	Very low	34	Very low	72 Å²	72	127.4 Å²	127.4	74%	0.742	80%	0.8	S	S	*	*			trans	165.7	0.7	159.2	0	0	0	0	0	124.4
697	D	34.7	Very low	34.5	Very low	165 Å²	165	129.5 Å²	129.5	88%	0.882	80%	0.801	S	S	*	*			trans	46.5	136.4	169.6	-67.9	-43.5	0	0	0	122.6
698	P	44.7	Very low	34.9	Very low	116 Å²	116	132.4 Å²	132.4	75%	0.753	81%	0.808	S	S	*	*			trans	-112.7	150.4	179.8	40.3	-32.7	0	0	0	116.6
699	H	35.5	Very low	34.8	Very low	173 Å²	173	129 Å²	129	80%	0.801	79%	0.794	S	S	*	*			trans	-160.2	150	161.6	-99.8	-99.1	0	0	0	107.1
700	E	34.8	Very low	34.8	Very low	170 Å²	170	129.4 Å²	129.4	79%	0.794	80%	0.796	S	S	*	*			cis	-168.6	154.7	-8.3	-177.4	171.7	178.8	0	0	109.5
701	G	33.1	Very low	34.5	Very low	73 Å²	73	130.7 Å²	130.7	75%	0.753	80%	0.797	S	S	*	*			trans	80.8	117.8	165.6	0	0	0	0	0	116.5
702	A	34	Very low	34.5	Very low	102 Å²	102	129 Å²	129	84%	0.843	79%	0.789	S	S	*	*			cis	120.8	154.2	8.5	0	0	0	0	0	112
703	S	33.7	Very low	34.7	Very low	114 Å²	114	130.7 Å²	130.7	80%	0.797	79%	0.79	S	S	*	*			trans	81.9	127.9	169	-152.5	0	0	0	0	117.6
704	L	33.1	Very low	34.4	Very low	144 Å²	144	130.2 Å²	130.2	75%	0.754	78%	0.781	S	S	*	*			cis	-172.9	157.2	-23	-122.4	165.5	0	0	0	110.9
705	K	37.6	Very low	34.5	Very low	192 Å²	192	126.9 Å²	126.9	84%	0.835	78%	0.776	S	S	*	*			trans	75	150.1	169.1	-55.7	165.9	-174.6	176.3	0	117.1
706	S	33	Very low	34.3	Very low	113 Å²	113	130.7 Å²	130.7	79%	0.79	78%	0.778	S	S	*	*			cis	-170	144.2	-29.4	-165.4	0	0	0	0	108.4
707	P	38.3	Very low	34	Very low	118 Å²	118	134 Å²	134	77%	0.766	78%	0.784	S	S	*	*			trans	-114.7	165.3	-162.8	41.3	-34.3	0	0	0	116.9
708	V	35.6	Very low	33.9	Very low	150 Å²	150	134.3 Å²	134.3	91%	0.909	78%	0.78	S	S	*	*			trans	-149.1	137.3	153.5	-175.4	0	0	0	0	105.8
709	G	32.8	Very low	33.2	Very low	58 Å²	58	137.9 Å²	137.9	60%	0.598	79%	0.787	S	S	*	*			cis	149.9	136.5	-7.5	0	0	0	0	0	111.4
710	I	34.4	Very low	33	Very low	159 Å²	159	135 Å²	135	82%	0.815	79%	0.786	S	S	*	*			trans	73.8	134.3	171.3	-53.6	166.3	0	0	0	115.4
711	D	31.3	Very low	32.6	Very low	135 Å²	135	131.5 Å²	131.5	72%	0.722	78%	0.781	S	S	*	*			cis	-162.8	172	-30.8	-94.6	-34.8	0	0	0	108.9
712	D	33.7	Very low	32.6	Very low	147 Å²	147	133.6 Å²	133.6	79%	0.786	78%	0.783	S	S	*	*			trans	64.8	113.1	174.6	-62.7	-33.3	0	0	0	118.8
713	V	31.5	Very low	32.4	Very low	121 Å²	121	136.9 Å²	136.9	73%	0.733	78%	0.781	S	S	*	*				78.4	123.7	56.8	172.2	0	0	0	0	111.9
714	I	32.4	Very low	32	Very low	142 Å²	142	142.3 Å²	142.3	73%	0.728	79%	0.785	S	S	*	*			cis	-148.3	137.1	5.8	-121	162.7	0	0	0	106
715	C	30.7	Very low	31.6	Very low	108 Å²	108	141 Å²	141	73%	0.73	78%	0.782	S	S	*	*				71.9	138.5	68.7	-57.6	0	0	0	0	115
716	E	30.8	Very low	31.1	Very low	173 Å²	173	136.8 Å²	136.8	81%	0.808	78%	0.778	S	S	*	*			cis	-136.2	156.2	9.5	-66.8	178.7	154.7	0	0	113.8
717	T	28.3	Very low	30.9	Very low	142 Å²	142	140.8 Å²	140.8	87%	0.871	78%	0.775	S	S	*	*			trans	-140.3	130.4	160.1	44.7	0	0	0	0	108.1
718	E	32.7	Very low	30.5	Very low	171 Å²	171	141.3 Å²	141.3	80%	0.799	77%	0.768	S	S	*	*			trans	-113.9	107	178.8	-70.9	-158	128.8	0	0	112.6
719	E	29.4	Very low	30.2	Very low	191 Å²	191	144 Å²	144	89%	0.893	76%	0.763	S	S	*	*			trans	-90.5	142.3	142.8	-69.9	-170.6	129	0	0	108.7
720	S	31	Very low	30	Very low	111 Å²	111	145.6 Å²	145.6	78%	0.776	77%	0.765	S	S	*	*			trans	-168.8	152.6	166.1	-89.9	0	0	0	0	111.9
721	S	27.6	Very low	29.9	Very low	98 Å²	98	146.3 Å²	146.3	69%	0.685	77%	0.765	S	S	*	*			cis	-171.2	128.8	-24.9	-178.6	0	0	0	0	108.3
722	S	33.7	Very low	30.1	Very low	116 Å²	116	145.5 Å²	145.5	81%	0.811	77%	0.769	S	S	*	*			trans	-175.6	99.7	165.3	-80.8	0	0	0	0	108.9
723	Q	28	Very low	30.3	Very low	171 Å²	171	142.6 Å²	142.6	80%	0.799	77%	0.766	S	S	*	*				66.5	85.1	78.5	-68	-163.2	-20.6	0	0	116
724	W	25.4	Very low	30.5	Very low	229 Å²	229	143.3 Å²	143.3	87%	0.867	77%	0.766	S	S	*	*				40.3	124.5	117.6	-72.3	70.8	0	0	0	120.6
725	T	26.2	Very low	30.8	Very low	115 Å²	115	142.3 Å²	142.3	71%	0.706	76%	0.762	S	S	*	*			trans	62.3	115.3	144.3	55.9	0	0	0	0	120.6
726	S	26.6	Very low	31.1	Very low	105 Å²	105	146.2 Å²	146.2	73%	0.734	77%	0.766	S	S	*	*				177.6	141.1	111.8	-85.6	0	0	0	0	115.2
727	R	28.2	Very low	31.3	Very low	196 Å²	196	144.8 Å²	144.8	74%	0.74	77%	0.769	S	S	*	*			trans	69.3	123.2	149.5	-68.3	-170	141.7	104.9	9.1	119.6
728	E	30.4	Very low	31.5	Very low	130 Å²	130	142.1 Å²	142.1	61%	0.607	76%	0.762	S	S	*	*				71.7	131.7	96.5	-58.8	162.1	-167.8	0	0	112.1
729	Y	29.2	Very low	32.1	Very low	207 Å²	207	139.4 Å²	139.4	81%	0.812	76%	0.759	S	S	*	*			cis	-135	175.7	31.1	-106.4	-99.4	0	0	0	115.2
730	S	28.6	Very low	32.2	Very low	91 Å²	91	138.4 Å²	138.4	64%	0.636	75%	0.752	S	S	*	*			trans	-56.1	173.3	172.4	52.9	0	0	0	0	115.2
731	E	33.1	Very low	32.6	Very low	174 Å²	174	141.6 Å²	141.6	81%	0.813	75%	0.752	S	S	*	*			cis	-150.5	140.9	44.2	-71.3	-173.8	116.4	0	0	112.7
732	S	34.3	Very low	32.8	Very low	117 Å²	117	142.1 Å²	142.1	82%	0.818	76%	0.755	S	S	*	*				65.7	126.3	97.2	-154.3	0	0	0	0	115.1
733	A	37.3	Very low	33.2	Very low	87 Å²	87	141.7 Å²	141.7	72%	0.719	75%	0.75	S	S	*	*			cis	-162.4	-163	-10.8	0	0	0	0	0	107.2
734	N	37.2	Very low	33.5	Very low	135 Å²	135	141 Å²	141	72%	0.722	75%	0.751	S	S	*	*			cis	-162.2	-176.8	6.2	-156.2	-8.4	0	0	0	110.4
735	N	38.1	Very low	34.1	Very low	122 Å²	122	134.5 Å²	134.5	65%	0.652	75%	0.746	S	S	*	*			trans	46.6	103.8	160.3	-63.7	-24.9	0	0	0	118.7
736	K	36.4	Very low	34.6	Very low	190 Å²	190	133.9 Å²	133.9	83%	0.826	75%	0.752	S	S	*	*				57.1	115.6	70.4	-62.1	-178.3	176.5	177.1	0	116.1
737	T	35.6	Very low	34.8	Very low	142 Å²	142	134.9 Å²	134.9	87%	0.871	76%	0.758	S	S	*	*				174.5	148.2	109.7	-68.1	0	0	0	0	111.5
738	A	32.4	Very low	35.5	Very low	86 Å²	86	130.8 Å²	130.8	71%	0.711	76%	0.757	S	S	*	*			trans	-155.4	-175.3	172.3	0	0	0	0	0	108.1
739	P	44.5	Very low	35.6	Very low	114 Å²	114	130 Å²	130	74%	0.74	77%	0.766	S	S	*	*			cis	-125.9	-163.2	-17.5	41.7	-26.2	0	0	0	111.4
740	F	32.3	Very low	36.1	Very low	170 Å²	170	126 Å²	126	75%	0.746	77%	0.768	S	S	*	*			trans	-171.9	130.3	137.8	-121.3	-134.3	0	0	0	116.4
741	K	39.3	Very low	36.3	Very low	179 Å²	179	131.4 Å²	131.4	78%	0.778	78%	0.783	S	S	*	*			trans	50.4	141.3	145.6	-63.6	-173.3	-178.4	179.5	0	124.9
742	S	31.2	Very low	36.3	Very low	108 Å²	108	126.5 Å²	126.5	76%	0.755	78%	0.78	S	S	*	*			trans	-101.7	-163.1	166.4	58.6	0	0	0	0	109.9
743	P	42.2	Very low	36.2	Very low	108 Å²	108	127.6 Å²	127.6	70%	0.701	78%	0.782	S	S	*	*			cis	-147.5	-162.2	13.1	36.3	-9.5	0	0	0	117.5
744	L	34.5	Very low	36.1	Very low	157 Å²	157	131.2 Å²	131.2	82%	0.822	79%	0.789	S	S	*	*			trans	101.1	109.3	151.4	-71.3	159.9	0	0	0	122.4
745	A	37.8	Very low	35.9	Very low	91 Å²	91	132.1 Å²	132.1	75%	0.752	79%	0.793	S	S	*	*				87.5	123.3	120.4	0	0	0	0	0	123.9
746	A	38	Very low	35.6	Very low	102 Å²	102	132 Å²	132	84%	0.843	80%	0.797	S	S	*	*			trans	78.7	144.3	144.8	0	0	0	0	0	121.2
747	C	31.2	Very low	35.3	Very low	126 Å²	126	128.5 Å²	128.5	85%	0.851	80%	0.797	S	S	*	*			trans	-125.4	-173.6	-173	-44.2	0	0	0	0	108.9
748	P	41.3	Very low	35.1	Very low	111 Å²	111	129.2 Å²	129.2	72%	0.721	78%	0.784	S	S	*	*			cis	-139.3	-173.6	0.9	39.8	-19.1	0	0	0	116.5
749	S	33.8	Very low	35.1	Very low	114 Å²	114	127.7 Å²	127.7	80%	0.797	78%	0.777	S	S	*	*			trans	65	95	150.5	58.5	0	0	0	0	120.9
750	S	39	Very low	34.6	Very low	123 Å²	123	130.8 Å²	130.8	86%	0.86	79%	0.786	S	S	*	*			trans	-142.7	156	130.5	60.8	0	0	0	0	109.4
751	Q	33.3	Very low	34.7	Very low	204 Å²	204	129.2 Å²	129.2	95%	0.953	79%	0.786	S	S	*	*			trans	-88.6	150.2	-171	-66.1	171.1	-26.7	0	0	112.7
752	G	32.5	Very low	34.8	Very low	71 Å²	71	123.8 Å²	123.8	73%	0.732	77%	0.77	S	S	*	*			trans	144.8	69.7	172.7	0	0	0	0	0	114.5	N754	G752-N754 PolarHBondContact O-N 2.96Å
753	T	32.3	Very low	35.1	Very low	140 Å²	140	121.6 Å²	121.6	86%	0.859	77%	0.765	S	S	*	*			trans	-79	79.5	179.5	50.3	0	0	0	0	112.5	N755	T753-N755 PolarHBondContact O-N 3.14Å
754	N	35.2	Very low	35.1	Very low	162 Å²	162	123.1 Å²	123.1	87%	0.866	77%	0.765	S	S	*	*			trans	-73	107.1	154.7	-74.9	-18.4	0	0	0	108	G752	G752-N754 PolarHBondContact O-N 2.96Å
755	N	32.5	Very low	35.6	Very low	154 Å²	154	121.9 Å²	121.9	82%	0.824	76%	0.759	S	S	*	*			trans	-142.1	113.9	169.4	-115.6	-11.6	0	0	0	109.5	T753	T753-N755 PolarHBondContact O-N 3.14Å
756	V	31.7	Very low	36	Very low	121 Å²	121	120.5 Å²	120.5	73%	0.733	74%	0.738	S	S	*	*			trans	-73.6	128.6	175.2	177.5	0	0	0	0	108.4	Y758	V756-Y758 HydrophobicContact CG1-CD2 3.9Å; V756-Y758 HydrophobicContact CG1-CE2 3.47Å; V756-Y758 VanDerWaalsContact CG1-CE2 3.47Å
757	S	31.2	Very low	36.3	Very low	116 Å²	116	122 Å²	122	81%	0.811	73%	0.731	S	S	*	*			trans	-140.9	104.6	170.5	-174.6	0	0	0	0	109.5	G759	S757-G759 PolarHBondContact O-N 3.42Å
758	Y	31.5	Very low	36.8	Very low	157 Å²	157	119.1 Å²	119.1	62%	0.616	72%	0.717	S	S	*	*			trans	-68	122	176.2	-65.3	-91.4	0	0	0	110.1	V756	V756-Y758 HydrophobicContact CG1-CD2 3.9Å; V756-Y758 HydrophobicContact CG1-CE2 3.47Å; V756-Y758 VanDerWaalsContact CG1-CE2 3.47Å
759	G	32.1	Very low	36.9	Very low	54 Å²	54	121.2 Å²	121.2	56%	0.557	72%	0.717	S	S	*	*			trans	-168.3	123.6	-179.8	0	0	0	0	0	115.3	S757 N761	S757-G759 PolarHBondContact O-N 3.42Å; G759-N761 PolarHBondContact O-N 3.32Å
760	L	33.5	Very low	37.5	Very low	178 Å²	178	120 Å²	120	93%	0.932	70%	0.698	S	S	*	*	S	Bend	trans	51.5	54.7	146.4	-59.5	171.7	0	0	0	118.4
761	N	35	Very low	37.9	Very low	138 Å²	138	121.1 Å²	121.1	74%	0.738	69%	0.694	S	S	*	*			trans	-136	6.6	162.2	-91.8	-62.2	0	0	0	115.3	G759 G763	G759-N761 PolarHBondContact O-N 3.32Å; N761-G763 PolarHBondContact O-N 3.21Å
762	S	40.3	Very low	38.6	Very low	65 Å²	65	115.6 Å²	115.6	46%	0.455	67%	0.674	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.6	-5.6	-175.8	-173.2	0	0	0	0	115.4
763	G	38.1	Very low	39.2	Very low	62 Å²	62	115.9 Å²	115.9	64%	0.639	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	-29.9	-168.7	0	0	0	0	0	115.6	N761	N761-G763 PolarHBondContact O-N 3.21Å
764	I	42.6	Very low	39.5	Very low	139 Å²	139	116.9 Å²	116.9	71%	0.713	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	-28.2	-168.7	-67	173.9	0	0	0	112.5
765	I	45.5	Very low	39.6	Very low	132 Å²	132	119.3 Å²	119.3	68%	0.677	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	-26.5	-171.7	-62.8	177.5	0	0	0	112.8	L767 A768	I765-L767 PolarHBondContact O-N 3.21Å; I765-A768 PolarHBondContact O-N 3.45Å
766	L	44.8	Very low	39.8	Very low	61 Å²	61	117 Å²	117	32%	0.319	66%	0.657	S	S	.	*	H	α-helix	trans	-70.8	-27.2	-177.8	-73	170.4	0	0	0	113.8	M489 A768	M489-L766 HydrophobicContact CE-CD1 3.97Å; M489-L766 HydrophobicContact SD-CD1 4.25Å; L766-A768 VanDerWaalsContact C-N 3.31Å; L766-A768 PolarHBondContact O-N 3.42Å
767	L	45.4	Very low	40	Very low	133 Å²	133	119.8 Å²	119.8	70%	0.696	66%	0.662	S	S	*	*	H	α-helix	trans	-71.4	-24.7	176.8	-73.6	170	0	0	0	113.1	I765	I765-L767 PolarHBondContact O-N 3.21Å
768	A	42.3	Very low	40.1	Very low	67 Å²	67	119.6 Å²	119.6	55%	0.554	66%	0.658	S	S	*	*	H	α-helix	trans	-73.8	-29.1	179.5	0	0	0	0	0	113.1	I765 L766	I765-A768 PolarHBondContact O-N 3.45Å; L766-A768 VanDerWaalsContact C-N 3.31Å; L766-A768 PolarHBondContact O-N 3.42Å
769	H	43.3	Very low	40.4	Very low	155 Å²	155	116.7 Å²	116.7	72%	0.718	67%	0.666	S	S	*	*	H	α-helix	trans	-84.3	-26.4	-175.8	-136.1	-94.6	0	0	0	113.3	L771 V772	H769-L771 VanDerWaalsContact C-N 3.33Å; H769-L771 PolarHBondContact O-N 3.48Å; H769-V772 PolarHBondContact O-N 3.22Å
770	E	46.4	Very low	40.3	Very low	88 Å²	88	123.8 Å²	123.8	41%	0.411	69%	0.685	S	S	.	*	H	α-helix	trans	-68	-29.4	-178.8	-166.7	70.5	-116	0	0	112.9	R488	R488-E770 IonicContact CZ-OE1 3.87Å; R488-E770 VanDerWaalsContact NH1-CD 3.34Å; R488-E770 IonicContact NH1-OE1 3.49Å; R488-E770 PolarHBondContact NH1-OE1 2.86Å; R488-E770 IonicContact NH1-OE2 2.72Å
771	L	45.8	Very low	40.3	Very low	146 Å²	146	122 Å²	122	76%	0.764	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-17	-179.1	-67.5	174.6	0	0	0	113.9	H769	H769-L771 VanDerWaalsContact C-N 3.33Å; H769-L771 PolarHBondContact O-N 3.48Å
772	V	47.8	Very low	40.1	Very low	88 Å²	88	126.9 Å²	126.9	53%	0.533	69%	0.689	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.9	-20.3	-174.7	-177.5	0	0	0	0	112.6	H769 Q774	H769-V772 PolarHBondContact O-N 3.22Å; V772-Q774 VanDerWaalsContact C-N 3.34Å; V772-Q774 PolarHBondContact O-N 3.08Å
773	A	46.1	Very low	39.5	Very low	77 Å²	77	127.8 Å²	127.8	64%	0.636	70%	0.701	S	S	*	*			trans	-76.6	-9.6	-173.4	0	0	0	0	0	115.5	R775	A773-R775 PolarHBondContact O-N 3.45Å
774	Q	38.7	Very low	39.1	Very low	161 Å²	161	133.6 Å²	133.6	75%	0.752	71%	0.709	S	S	*	*			trans	-85.6	65.7	-174.7	-63.8	-165.9	15	0	0	113.8	V772	V772-Q774 VanDerWaalsContact C-N 3.34Å; V772-Q774 PolarHBondContact O-N 3.08Å
775	R	37	Very low	38.4	Very low	213 Å²	213	135.5 Å²	135.5	80%	0.804	72%	0.715	S	S	*	*	S	Bend	trans	-159.8	138.1	159.6	-106.5	163.2	-159	-145.9	3.6	111.3	A773	A773-R775 PolarHBondContact O-N 3.45Å
776	S	37.3	Very low	37.8	Very low	106 Å²	106	137 Å²	137	74%	0.741	72%	0.717	S	S	*	*	S	Bend	trans	50.2	93.4	169.7	57.3	0	0	0	0	118.4
777	E	36.3	Very low	37.2	Very low	180 Å²	180	140 Å²	140	84%	0.841	74%	0.74	S	S	*	*				-178.3	156.2	98.5	-93.1	-63.3	94.8	0	0	111.2
778	P	32.1	Very low	36.3	Very low	112 Å²	112	142.9 Å²	142.9	73%	0.727	75%	0.749	S	S	*	*			trans	-107.6	127.3	-170.4	36.8	-28.5	0	0	0	115.2
779	A	37.3	Very low	35.8	Very low	95 Å²	95	148.7 Å²	148.7	79%	0.785	77%	0.765	S	S	*	*			trans	-140.3	103.8	171.1	0	0	0	0	0	113.6	V781	A779-V781 PolarHBondContact O-N 3.2Å
780	Q	29.9	Very low	35.4	Very low	203 Å²	203	149.6 Å²	149.6	95%	0.949	77%	0.77	S	S	*	*			trans	14.1	93.7	159.4	-57.1	-176.6	16.9	0	0	119.1
781	V	35.3	Very low	34.8	Very low	141 Å²	141	151 Å²	151	86%	0.855	78%	0.779	S	S	*	*			trans	-115.6	130.5	150.2	-179.8	0	0	0	0	108.1	A779 A783	A779-V781 PolarHBondContact O-N 3.2Å; V781-A783 PolarHBondContact O-N 3.01Å
782	R	29.9	Very low	34	Very low	240 Å²	240	151.5 Å²	151.5	91%	0.906	78%	0.783	S	S	*	*			trans	-68.3	122.5	-178.1	-75.9	-178.7	175	165	-1.1	110.6	F784	R782-F784 PolarHBondContact O-N 2.93Å
783	A	27.6	Very low	33.5	Very low	85 Å²	85	150.8 Å²	150.8	70%	0.702	78%	0.778	S	S	*	*			trans	-70	123	178.2	0	0	0	0	0	112.1	V781 Q785	V781-A783 PolarHBondContact O-N 3.01Å; A783-Q785 VanDerWaalsContact C-N 3.28Å; A783-Q785 PolarHBondContact O-N 3.29Å; A783-Q785 VanDerWaalsContact O-N 3.13Å
784	F	30.3	Very low	32.8	Very low	184 Å²	184	153.5 Å²	153.5	81%	0.807	78%	0.778	S	S	*	*			trans	-80.2	78.6	160.2	-95.2	-81.7	0	0	0	109.4	R782 F786	R782-F784 PolarHBondContact O-N 2.93Å; F784-F786 HydrophobicContact CB-CE2 4.4Å; F784-F786 AromaticContact CD1-CE2 3.77Å; F784-F786 HydrophobicContact CD1-CE2 3.77Å; F784-F786 HydrophobicContact CD1-CZ 4.19Å; F784-F786 PolarHBondContact O-N 3.12Å
785	Q	27.3	Very low	32.4	Very low	178 Å²	178	150 Å²	150	83%	0.832	76%	0.758	S	S	*	*			trans	-87.6	94	179.6	-170.8	164.1	5.1	0	0	110.7	A783	A783-Q785 VanDerWaalsContact C-N 3.28Å; A783-Q785 PolarHBondContact O-N 3.29Å; A783-Q785 VanDerWaalsContact O-N 3.13Å
786	F	33.7	Very low	32.1	Very low	163 Å²	163	148.4 Å²	148.4	72%	0.715	75%	0.752	S	S	*	*			trans	-79.9	143.2	171.1	-77.1	-80	0	0	0	111.5	F784	F784-F786 HydrophobicContact CB-CE2 4.4Å; F784-F786 AromaticContact CD1-CE2 3.77Å; F784-F786 HydrophobicContact CD1-CE2 3.77Å; F784-F786 HydrophobicContact CD1-CZ 4.19Å; F784-F786 PolarHBondContact O-N 3.12Å
787	P	31.1	Very low	32	Very low	124 Å²	124	148 Å²	148	81%	0.805	75%	0.745	S	S	*	*			trans	-68.2	153.6	-178.1	-21.7	34.4	0	0	0	114.6	E789	P787-E789 PolarHBondContact O-N 2.68Å
788	H	26.3	Very low	31.9	Very low	194 Å²	194	144.7 Å²	144.7	90%	0.898	74%	0.738	S	S	*	*			trans	-82.3	102.3	172.6	-121.5	-84.4	0	0	0	110.3
789	E	33	Very low	32.1	Very low	189 Å²	189	145.5 Å²	145.5	88%	0.883	74%	0.743	S	S	*	*			trans	-177.5	108.1	153.7	-109.4	168.5	-173.4	0	0	112.6	P787	P787-E789 PolarHBondContact O-N 2.68Å
790	E	34.6	Very low	31.8	Very low	174 Å²	174	147.1 Å²	147.1	81%	0.813	74%	0.735	S	S	*	*	S	Bend	trans	158.1	96.7	138.1	-87.3	-148	114.6	0	0	112.7
791	L	33.7	Very low	31.7	Very low	118 Å²	118	140.9 Å²	140.9	62%	0.618	73%	0.725	S	S	*	*			trans	56.4	93.3	141.9	-69.4	159.5	0	0	0	119.9	V793	L791-V793 PolarHBondContact O-N 3.06Å
792	D	28.3	Very low	31.4	Very low	157 Å²	157	141.3 Å²	141.3	84%	0.84	72%	0.721	S	S	*	*			trans	-5.3	110	142.6	-53.6	-55.1	0	0	0	117.7
793	V	37.1	Very low	31.4	Very low	72 Å²	72	136.6 Å²	136.6	44%	0.436	72%	0.719	S	S	.	*			trans	-145.1	103	132.6	-175.2	0	0	0	0	107.9	V577 L791 Y795	V577-V793 HydrophobicContact CB-CG1 3.94Å; V577-V793 HydrophobicContact CG1-CG1 3.63Å; V577-V793 HydrophobicContact CG2-CG1 4.07Å; L791-V793 PolarHBondContact O-N 3.06Å; V793-Y795 HydrophobicContact CB-CD2 4.47Å; V793-Y795 HydrophobicContact CG1-CD2 3.95Å; V793-Y795 HydrophobicContact CG1-CE2 4Å; V793-Y795 PolarHBondContact O-N 2.86Å
794	E	31.5	Very low	31.7	Very low	134 Å²	134	138.8 Å²	138.8	63%	0.626	72%	0.718	S	S	*	*			trans	-76.5	90.1	-179	-163	-170.4	-153.3	0	0	111.5	R796	E794-R796 HydrophobicContact CG-CG 4.05Å; E794-R796 PolarHBondContact O-N 3.12Å; E794-R796 IonicContact OE1-CZ 3.96Å; E794-R796 IonicContact OE1-NE 2.68Å; E794-R796 PolarHBondContact OE1-NE 3.02Å; E794-R796 IonicContact OE1-NH2 3.59Å; E794-R796 PolarHBondContact OE1-NH2 3.11Å; E794-R796 IonicContact OE2-CZ 3.27Å; E794-R796 IonicContact OE2-NE 3.57Å; E794-R796 PolarHBondContact OE2-NE 3.13Å; E794-R796 IonicContact OE2-NH2 3.68Å
795	Y	30.4	Very low	31.7	Very low	87 Å²	87	135.4 Å²	135.4	34%	0.341	72%	0.717	S	S	.	*			trans	-72.2	73.5	170	-89	-86.4	0	0	0	111.3	L470 V577 V793 T797	L470-Y795 HydrophobicContact CD1-CD2 4.17Å; L470-Y795 HydrophobicContact CD1-CG 4.46Å; V577-Y795 HydrophobicContact CG1-CD1 4.11Å; V577-Y795 HydrophobicContact CG1-CD2 4.24Å; V577-Y795 HydrophobicContact CG1-CE1 3.64Å; V577-Y795 HydrophobicContact CG1-CE2 3.79Å; V577-Y795 HydrophobicContact CG1-CG 4.41Å; V577-Y795 VanDerWaalsContact CG1-CZ 3.49Å; V577-Y795 HydrophobicContact CG2-CE2 3.9Å; V577-Y795 VanDerWaalsContact CG2-OH 3.23Å; V577-Y795 WeakPolarHBondContact CG2-OH 3.16Å; V793-Y795 HydrophobicContact CB-CD2 4.47Å; V793-Y795 HydrophobicContact CG1-CD2 3.95Å; V793-Y795 HydrophobicContact CG1-CE2 4Å; V793-Y795 PolarHBondContact O-N 2.86Å; Y795-T797 PolarHBondContact O-N 2.9Å; Y795-T797 VanDerWaalsContact O-N 3.15Å
796	R	32.3	Very low	31.8	Very low	180 Å²	180	130.4 Å²	130.4	68%	0.679	71%	0.713	S	S	*	*			trans	-76.1	94	164.8	-79.5	-169.4	-163.5	-172.2	11.4	110.9	E794 T798	E794-R796 HydrophobicContact CG-CG 4.05Å; E794-R796 PolarHBondContact O-N 3.12Å; E794-R796 IonicContact OE1-CZ 3.96Å; E794-R796 IonicContact OE1-NE 2.68Å; E794-R796 PolarHBondContact OE1-NE 3.02Å; E794-R796 IonicContact OE1-NH2 3.59Å; E794-R796 PolarHBondContact OE1-NH2 3.11Å; E794-R796 IonicContact OE2-CZ 3.27Å; E794-R796 IonicContact OE2-NE 3.57Å; E794-R796 PolarHBondContact OE2-NE 3.13Å; E794-R796 IonicContact OE2-NH2 3.68Å; R796-T798 PolarHBondContact O-N 3.49Å; R796-T798 VanDerWaalsContact O-N 3.16Å
797	T	34.9	Very low	31.6	Very low	97 Å²	97	128.3 Å²	128.3	60%	0.595	72%	0.719	S	S	*	*			trans	-66.4	98	152.4	32.2	0	0	0	0	109	Q474 Y795 P799	Q474-T797 PolarHBondContact OE1-OG1 2.98Å; Y795-T797 PolarHBondContact O-N 2.9Å; Y795-T797 VanDerWaalsContact O-N 3.15Å; T797-P799 WeakPolarHBondContact O-CD 3.44Å
798	T	33.5	Very low	31.7	Very low	111 Å²	111	128.1 Å²	128.1	68%	0.681	72%	0.721	S	S	*	*			trans	-70.2	123.3	172.5	47.2	0	0	0	0	110.4	R796 E800	R796-T798 PolarHBondContact O-N 3.49Å; R796-T798 VanDerWaalsContact O-N 3.16Å; T798-E800 PolarHBondContact O-N 3.29Å
799	P	35.8	Very low	32	Very low	129 Å²	129	125.2 Å²	125.2	84%	0.838	72%	0.717	S	S	*	*			trans	-78.8	108.6	169.9	30.9	-31	0	0	0	109.9	T797	T797-P799 WeakPolarHBondContact O-CD 3.44Å
800	E	31.9	Very low	32	Very low	130 Å²	130	121.5 Å²	121.5	61%	0.607	71%	0.709	S	S	*	*			trans	-78.6	131.2	163.3	-71.3	-166.9	148.1	0	0	110.1	T798	T798-E800 PolarHBondContact O-N 3.29Å
801	G	27.6	Very low	32.1	Very low	72 Å²	72	119.6 Å²	119.6	74%	0.742	71%	0.712	S	S	*	*			trans	54	87.5	152.4	0	0	0	0	0	120.4
802	L	28.2	Very low	31.9	Very low	149 Å²	149	118.7 Å²	118.7	78%	0.78	72%	0.722	S	S	*	*			trans	-142.4	84.6	154.6	-81.9	-175.7	0	0	0	113.4	L804	L802-L804 HydrophobicContact CD2-CD1 4.38Å; L802-L804 HydrophobicContact CD2-CG 4.49Å
803	V	31.4	Very low	32.2	Very low	142 Å²	142	117.9 Å²	117.9	86%	0.861	72%	0.722	S	S	*	*			trans	-149.3	104.5	149	-175.5	0	0	0	0	104.3
804	L	33.2	Very low	32.1	Very low	130 Å²	130	119.3 Å²	119.3	68%	0.681	74%	0.735	S	S	*	*			cis	64.7	68.2	44.2	-58.3	-177.2	0	0	0	114.5	L802	L802-L804 HydrophobicContact CD2-CD1 4.38Å; L802-L804 HydrophobicContact CD2-CG 4.49Å
805	S	30	Very low	32	Very low	113 Å²	113	118.2 Å²	118.2	79%	0.79	74%	0.742	S	S	*	*				24.2	131.1	126.6	58.4	0	0	0	0	120.2
806	G	29.5	Very low	32.3	Very low	73 Å²	73	121.7 Å²	121.7	75%	0.753	77%	0.765	S	S	*	*			trans	163.2	87.1	157.2	0	0	0	0	0	117.5
807	S	30.1	Very low	32.4	Very low	119 Å²	119	119.8 Å²	119.8	83%	0.832	77%	0.768	S	S	*	*			trans	9.1	130	151.6	56.6	0	0	0	0	121.6
808	S	32.7	Very low	32.2	Very low	120 Å²	120	123 Å²	123	84%	0.839	78%	0.782	S	S	*	*				-161.7	148.8	116.7	41.8	0	0	0	0	114.7
809	T	33.6	Very low	32.4	Very low	134 Å²	134	121.7 Å²	121.7	82%	0.822	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-48.5	145.8	-172.8	-31.6	0	0	0	0	118.3
810	P	32.8	Very low	32.4	Very low	111 Å²	111	119.9 Å²	119.9	72%	0.721	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-94.1	156.4	169.7	37.5	-34.3	0	0	0	113.9
811	P	36.3	Very low	32.4	Very low	133 Å²	133	121.3 Å²	121.3	86%	0.864	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-87.3	150.5	161.6	35.3	-31.9	0	0	0	111.6
812	A	29.4	Very low	32.6	Very low	100 Å²	100	121 Å²	121	83%	0.826	77%	0.769	S	S	*	*			trans	-107.9	142.6	-173.6	0	0	0	0	0	113.8
813	V	34.2	Very low	32.7	Very low	140 Å²	140	118.9 Å²	118.9	85%	0.848	75%	0.753	S	S	*	*			trans	-138.4	107.4	166.7	-178.1	0	0	0	0	110.4
814	S	34.7	Very low	32.6	Very low	101 Å²	101	116.7 Å²	116.7	71%	0.706	74%	0.74	S	S	*	*			trans	22	107.3	160.2	60.6	0	0	0	0	121.9
815	S	29	Very low	32.4	Very low	111 Å²	111	117.9 Å²	117.9	78%	0.776	74%	0.74	S	S	*	*				54.1	88.6	111.6	-172.5	0	0	0	0	119.9
816	I	38	Very low	32.4	Very low	161 Å²	161	115.3 Å²	115.3	83%	0.826	72%	0.722	S	S	*	*			trans	-135.4	144.8	144.3	-59.9	-176.3	0	0	0	107.2
817	D	34.6	Very low	32.3	Very low	140 Å²	140	119.9 Å²	119.9	75%	0.749	72%	0.721	S	S	*	*			trans	-73.1	137.8	-155.3	-51.8	-87.6	0	0	0	117.5	S819	D817-S819 PolarHBondContact O-N 2.88Å
818	D	29.7	Very low	32.3	Very low	165 Å²	165	115.2 Å²	115.2	88%	0.882	69%	0.69	S	S	*	*	S	Bend	trans	-70.5	82.4	173.4	-79.6	-55.9	0	0	0	112.5
819	S	37.1	Very low	32.3	Very low	83 Å²	83	113.6 Å²	113.6	58%	0.58	68%	0.684	S	S	*	*	S	Bend	trans	-144.3	-3.7	173.6	-169.5	0	0	0	0	116.1	D817	D817-S819 PolarHBondContact O-N 2.88Å
820	S	36.5	Very low	32.2	Very low	91 Å²	91	114.9 Å²	114.9	64%	0.636	69%	0.685	S	S	*	*	S	Bend	trans	-120.9	-4.8	-161.9	-61.7	0	0	0	0	116.4	A822	S820-A822 VanDerWaalsContact C-N 3.33Å; S820-A822 PolarHBondContact O-N 2.82Å
821	I	32.1	Very low	32.4	Very low	159 Å²	159	119.2 Å²	119.2	82%	0.815	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	-10.6	-174.8	-65.8	172.4	0	0	0	112.9
822	A	31.7	Very low	32.8	Very low	67 Å²	67	117 Å²	117	55%	0.554	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.4	35.4	-177	0	0	0	0	0	114.5	S820	S820-A822 VanDerWaalsContact C-N 3.33Å; S820-A822 PolarHBondContact O-N 2.82Å
823	K	30.1	Very low	33.7	Very low	103 Å²	103	115.9 Å²	115.9	45%	0.448	65%	0.651	S	S	.	*			trans	-139.4	44.9	-172.9	-65.7	-177.9	-178	167	0	114.5	Y401	Y401-K823 HydrophobicContact CE2-CG 4.23Å
824	V	30.4	Very low	34.1	Very low	97 Å²	97	111.2 Å²	111.2	59%	0.588	63%	0.627	S	S	*	*	S	Bend	trans	-135.1	20	178.4	-150.9	0	0	0	0	113.7
825	F	29	Very low	34.7	Very low	154 Å²	154	115.1 Å²	115.1	68%	0.675	63%	0.631	S	S	*	*			trans	-127.1	5.4	175.9	-87.9	-77.6	0	0	0	115.2	E408 F827	E408-F825 HydrophobicContact CG-CB 4.25Å; E408-F825 WeakPolarHBondContact OE1-CB 3.5Å; F825-F827 PolarHBondContact O-N 3.49Å; F825-F827 VanDerWaalsContact O-N 3.08Å
826	S	29.4	Very low	35.6	Very low	60 Å²	60	114.2 Å²	114.2	42%	0.42	62%	0.617	S	S	.	*			trans	-81.3	83.3	177.1	57.6	0	0	0	0	113
827	F	26.6	Very low	36.2	Very low	169 Å²	169	109.7 Å²	109.7	74%	0.741	60%	0.595	S	S	*	*			trans	-171.2	67	150.8	-105.2	-65.9	0	0	0	111.3	E380 F825	E380-F827 WeakPolarHBondContact OE1-CE1 3.35Å; F825-F827 PolarHBondContact O-N 3.49Å; F825-F827 VanDerWaalsContact O-N 3.08Å
828	A	30.8	Very low	37.3	Very low	20 Å²	20	105.1 Å²	105.1	17%	0.165	57%	0.572	C	S	.	*			trans	-124.2	14.8	-176.7	0	0	0	0	0	114.5	H407 L830	H407-A828 WeakPolarHBondContact NE2-CA 3.34Å; H407-A828 WeakPolarHBondContact NE2-CB 3.38Å; H407-A828 PolarHBondContact NE2-O 2.72Å; A828-L830 PolarHBondContact O-N 3.23Å
829	A	32.1	Very low	38.7	Very low	87 Å²	87	103 Å²	103	72%	0.719	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.3	125.3	176.2	0	0	0	0	0	111.4	R831	A829-R831 VanDerWaalsContact C-N 3.28Å; A829-R831 PolarHBondContact O-N 2.81Å; A829-R831 VanDerWaalsContact O-N 3.09Å
830	L	32.5	Very low	39.7	Very low	161 Å²	161	103.5 Å²	103.5	84%	0.843	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	54.1	27.7	169.8	-70.2	164	0	0	0	117	A828 I832	A828-L830 PolarHBondContact O-N 3.23Å; L830-I832 PolarHBondContact O-N 3.01Å
831	R	36.3	Very low	40.7	Very low	202 Å²	202	104 Å²	104	76%	0.762	55%	0.545	S	S	*	.			trans	-80.5	61	-179.1	-149.9	171.1	-150.1	141.1	11	114.3	A829 P833	A829-R831 VanDerWaalsContact C-N 3.28Å; A829-R831 PolarHBondContact O-N 2.81Å; A829-R831 VanDerWaalsContact O-N 3.09Å; R831-P833 WeakPolarHBondContact O-CD 3.31Å; R831-P833 VanDerWaalsContact O-N 3.15Å
832	I	44.6	Very low	42	Very low	87 Å²	87	102.4 Å²	102.4	45%	0.446	53%	0.532	S	S	.	.			trans	-51.6	121.7	165.7	-58.1	172.2	0	0	0	107.6	L830 A834 L836 L837	L830-I832 PolarHBondContact O-N 3.01Å; I832-A834 PolarHBondContact O-N 3.06Å; I832-L836 HydrophobicContact CG2-CB 4.24Å; I832-L836 HydrophobicContact CG2-CD2 4.45Å; I832-L837 HydrophobicContact CB-CD1 4.47Å; I832-L837 HydrophobicContact CD1-CD1 4.03Å; I832-L837 HydrophobicContact CG2-CB 3.95Å; I832-L837 HydrophobicContact CG2-CD1 4.04Å
833	P	49	Very low	43.5	Very low	76 Å²	76	103.4 Å²	103.4	49%	0.494	53%	0.531	S	S	.	.			trans	-57.3	132.6	179.4	-24.7	32.8	0	0	0	109.5	R831 K835 L836 L837	R831-P833 WeakPolarHBondContact O-CD 3.31Å; R831-P833 VanDerWaalsContact O-N 3.15Å; P833-K835 CarbonylContact O-C 3.11Å; P833-K835 PolarHBondContact O-N 3.28Å; P833-L836 HydrophobicContact CB-CB 4.02Å; P833-L836 HydrophobicContact CG-CB 4.19Å; P833-L836 CarbonylContact O-C 3.55Å; P833-L836 WeakPolarHBondContact O-CA 3.4Å; P833-L836 WeakPolarHBondContact O-CB 3.41Å; P833-L836 PolarHBondContact O-N 2.9Å; P833-L837 PolarHBondContact O-N 3.38Å
834	A	41.9	Very low	44.6	Very low	41 Å²	41	105 Å²	105	34%	0.339	54%	0.538	S	S	.	.	H	α-helix	trans	-56.1	-28.5	-177.3	0	0	0	0	0	112.9	I832 V838	I832-A834 PolarHBondContact O-N 3.06Å; A834-V838 WeakPolarHBondContact O-CB 3.43Å; A834-V838 VanDerWaalsContact O-CG2 3.28Å; A834-V838 WeakPolarHBondContact O-CG2 3.48Å; A834-V838 PolarHBondContact O-N 2.98Å; A834-V838 VanDerWaalsContact O-N 3.12Å
835	K	46.7	Very low	45.4	Very low	183 Å²	183	107.4 Å²	107.4	80%	0.796	54%	0.541	S	S	*	.	H	α-helix	trans	-65.2	-43.6	169.3	-69.9	-177.1	176.5	179.5	0	113	P833 V838 Q839	P833-K835 CarbonylContact O-C 3.11Å; P833-K835 PolarHBondContact O-N 3.28Å; K835-V838 PolarHBondContact O-N 2.71Å; K835-Q839 WeakPolarHBondContact O-CB 3.24Å; K835-Q839 PolarHBondContact O-N 3.22Å
836	L	48.4	Very low	46.5	Very low	92 Å²	92	105.8 Å²	105.8	48%	0.482	54%	0.539	S	S	.	.	H	α-helix	trans	-69.9	-39	179.6	-161.9	73.1	0	0	0	111.2	I832 P833 Q839 I840	I832-L836 HydrophobicContact CG2-CB 4.24Å; I832-L836 HydrophobicContact CG2-CD2 4.45Å; P833-L836 HydrophobicContact CB-CB 4.02Å; P833-L836 HydrophobicContact CG-CB 4.19Å; P833-L836 CarbonylContact O-C 3.55Å; P833-L836 WeakPolarHBondContact O-CA 3.4Å; P833-L836 WeakPolarHBondContact O-CB 3.41Å; P833-L836 PolarHBondContact O-N 2.9Å; L836-Q839 WeakPolarHBondContact O-CB 3.34Å; L836-Q839 PolarHBondContact O-N 3.42Å; L836-I840 HydrophobicContact CG-CD1 4.13Å; L836-I840 WeakPolarHBondContact O-CB 3.39Å; L836-I840 VanDerWaalsContact O-CG1 3.26Å; L836-I840 WeakPolarHBondContact O-CG1 3.37Å; L836-I840 PolarHBondContact O-N 2.9Å
837	L	50.9	Low	47.3	Very low	67 Å²	67	106.4 Å²	106.4	35%	0.351	54%	0.54	S	S	.	.	H	α-helix	trans	-60	-47.9	172.3	-164.3	82.7	0	0	0	110.9	I832 P833 Q839 I840 M841	I832-L837 HydrophobicContact CB-CD1 4.47Å; I832-L837 HydrophobicContact CD1-CD1 4.03Å; I832-L837 HydrophobicContact CG2-CB 3.95Å; I832-L837 HydrophobicContact CG2-CD1 4.04Å; P833-L837 PolarHBondContact O-N 3.38Å; L837-Q839 VanDerWaalsContact C-N 3.29Å; L837-Q839 PolarHBondContact O-N 3.26Å; L837-I840 PolarHBondContact O-N 2.88Å; L837-M841 HydrophobicContact CD2-SD 4.37Å; L837-M841 HydrophobicContact CG-SD 4.29Å; L837-M841 WeakPolarHBondContact O-CB 3.33Å; L837-M841 WeakPolarHBondContact O-CG 3.47Å; L837-M841 PolarHBondContact O-N 2.9Å
838	V	58.6	Low	48	Very low	44 Å²	44	101.6 Å²	101.6	27%	0.267	52%	0.522	S	S	.	.	H	α-helix	trans	-63	-34.6	174.6	168.7	0	0	0	0	111.9	L365 A834 K835 K842	L365-V838 HydrophobicContact CD1-CG2 4.23Å; A834-V838 WeakPolarHBondContact O-CB 3.43Å; A834-V838 VanDerWaalsContact O-CG2 3.28Å; A834-V838 WeakPolarHBondContact O-CG2 3.48Å; A834-V838 PolarHBondContact O-N 2.98Å; A834-V838 VanDerWaalsContact O-N 3.12Å; K835-V838 PolarHBondContact O-N 2.71Å; V838-K842 HydrophobicContact CG1-CD 4.06Å; V838-K842 HydrophobicContact CG1-CG 4.5Å; V838-K842 VanDerWaalsContact O-CB 3.29Å; V838-K842 WeakPolarHBondContact O-CB 3.34Å; V838-K842 VanDerWaalsContact O-CG 3.26Å; V838-K842 WeakPolarHBondContact O-CG 3.48Å; V838-K842 PolarHBondContact O-N 3Å
839	Q	58.9	Low	48.6	Very low	119 Å²	119	110.7 Å²	110.7	56%	0.556	55%	0.552	S	S	*	*	H	α-helix	trans	-65.5	-47.1	174.7	-150.8	79.3	-8.6	0	0	111.2	K835 L836 L837 K842 V843	K835-Q839 WeakPolarHBondContact O-CB 3.24Å; K835-Q839 PolarHBondContact O-N 3.22Å; L836-Q839 WeakPolarHBondContact O-CB 3.34Å; L836-Q839 PolarHBondContact O-N 3.42Å; L837-Q839 VanDerWaalsContact C-N 3.29Å; L837-Q839 PolarHBondContact O-N 3.26Å; Q839-K842 PolarHBondContact O-N 2.69Å; Q839-V843 WeakPolarHBondContact O-CG2 3.25Å; Q839-V843 PolarHBondContact O-N 3.01Å
840	I	58.4	Low	49	Very low	94 Å²	94	111.5 Å²	111.5	48%	0.482	55%	0.553	S	S	.	*	H	α-helix	trans	-63.7	-45.7	177.9	-69.2	163.1	0	0	0	110.4	L836 L837 K842 V843 F844	L836-I840 HydrophobicContact CG-CD1 4.13Å; L836-I840 WeakPolarHBondContact O-CB 3.39Å; L836-I840 VanDerWaalsContact O-CG1 3.26Å; L836-I840 WeakPolarHBondContact O-CG1 3.37Å; L836-I840 PolarHBondContact O-N 2.9Å; L837-I840 PolarHBondContact O-N 2.88Å; I840-K842 PolarHBondContact O-N 2.79Å; I840-V843 PolarHBondContact O-N 3.12Å; I840-F844 WeakPolarHBondContact O-CB 3.43Å; I840-F844 PolarHBondContact O-N 2.81Å
841	M	57	Low	49.4	Very low	101 Å²	101	112 Å²	112	50%	0.498	55%	0.548	S	S	.	.	H	α-helix	trans	-64.8	-38.1	176.6	-70.3	-179.5	76.7	0	0	112.1	L837 F844 F845	L837-M841 HydrophobicContact CD2-SD 4.37Å; L837-M841 HydrophobicContact CG-SD 4.29Å; L837-M841 WeakPolarHBondContact O-CB 3.33Å; L837-M841 WeakPolarHBondContact O-CG 3.47Å; L837-M841 PolarHBondContact O-N 2.9Å; M841-F844 PolarHBondContact O-N 2.94Å; M841-F845 WeakPolarHBondContact O-CB 3.45Å; M841-F845 PolarHBondContact O-N 3Å
842	K	60	Low	49.2	Very low	126 Å²	126	110.6 Å²	110.6	55%	0.548	57%	0.567	S	S	.	*	H	α-helix	trans	-63.1	-44.2	172.5	-79.6	176.4	179	179.2	0	111.8	V838 Q839 I840 L846	V838-K842 HydrophobicContact CG1-CD 4.06Å; V838-K842 HydrophobicContact CG1-CG 4.5Å; V838-K842 VanDerWaalsContact O-CB 3.29Å; V838-K842 WeakPolarHBondContact O-CB 3.34Å; V838-K842 VanDerWaalsContact O-CG 3.26Å; V838-K842 WeakPolarHBondContact O-CG 3.48Å; V838-K842 PolarHBondContact O-N 3Å; Q839-K842 PolarHBondContact O-N 2.69Å; I840-K842 PolarHBondContact O-N 2.79Å; K842-L846 VanDerWaalsContact O-CB 3.3Å; K842-L846 WeakPolarHBondContact O-CB 3.49Å; K842-L846 WeakPolarHBondContact O-CD1 3.09Å; K842-L846 WeakPolarHBondContact O-CG 3.27Å; K842-L846 PolarHBondContact O-N 2.83Å
843	V	63	Low	49.4	Very low	88 Å²	88	111.8 Å²	111.8	53%	0.533	57%	0.573	S	S	.	*	H	α-helix	trans	-61.5	-46.2	174.1	170.7	0	0	0	0	110.8	Q839 I840 L846 T847	Q839-V843 WeakPolarHBondContact O-CG2 3.25Å; Q839-V843 PolarHBondContact O-N 3.01Å; I840-V843 PolarHBondContact O-N 3.12Å; V843-L846 PolarHBondContact O-N 2.79Å; V843-T847 HydrophobicContact CG1-CG2 4.42Å; V843-T847 PolarHBondContact O-N 3.04Å; V843-T847 PolarHBondContact O-OG1 3.11Å
844	F	53.3	Low	49.4	Very low	137 Å²	137	113.6 Å²	113.6	60%	0.601	58%	0.577	S	S	*	*	H	α-helix	trans	-64.1	-42.5	-178.8	-165	-98	0	0	0	112.7	I840 M841 T847 N848	I840-F844 WeakPolarHBondContact O-CB 3.43Å; I840-F844 PolarHBondContact O-N 2.81Å; M841-F844 PolarHBondContact O-N 2.94Å; F844-T847 PolarHBondContact O-OG1 3.11Å; F844-N848 WeakPolarHBondContact CD1-ND2 3Å; F844-N848 VanDerWaalsContact CE1-ND2 3.31Å; F844-N848 WeakPolarHBondContact CE1-ND2 3.06Å; F844-N848 WeakPolarHBondContact O-CB 3.24Å; F844-N848 PolarHBondContact O-N 3.04Å; F844-N848 VanDerWaalsContact O-N 3.08Å; F844-N848 PolarHBondContact O-ND2 2.86Å
845	F	47.1	Very low	49.8	Very low	147 Å²	147	117.7 Å²	117.7	65%	0.645	59%	0.591	S	S	*	*	H	α-helix	trans	-65.2	-43.7	172.8	-99.2	-89.8	0	0	0	111.9	M841 N848 R849	M841-F845 WeakPolarHBondContact O-CB 3.45Å; M841-F845 PolarHBondContact O-N 3Å; F845-N848 PolarHBondContact O-N 2.86Å; F845-R849 VanDerWaalsContact O-CB 3.24Å; F845-R849 WeakPolarHBondContact O-CB 3.39Å; F845-R849 PolarHBondContact O-N 3.32Å
846	L	51.2	Low	50	Low	120 Å²	120	113.8 Å²	113.8	63%	0.628	58%	0.579	S	S	*	*	H	α-helix	trans	-64.3	-40.2	178.5	-73.1	167.3	0	0	0	112.1	K842 V843	K842-L846 VanDerWaalsContact O-CB 3.3Å; K842-L846 WeakPolarHBondContact O-CB 3.49Å; K842-L846 WeakPolarHBondContact O-CD1 3.09Å; K842-L846 WeakPolarHBondContact O-CG 3.27Å; K842-L846 PolarHBondContact O-N 2.83Å; V843-L846 PolarHBondContact O-N 2.79Å
847	T	45.2	Very low	50.1	Low	74 Å²	74	115.2 Å²	115.2	45%	0.454	59%	0.585	S	S	.	*	H	α-helix	trans	-74	-29.2	178.5	50.8	0	0	0	0	114.2	V843 F844	V843-T847 HydrophobicContact CG1-CG2 4.42Å; V843-T847 PolarHBondContact O-N 3.04Å; V843-T847 PolarHBondContact O-OG1 3.11Å; F844-T847 PolarHBondContact O-OG1 3.11Å
848	N	41.8	Very low	50.1	Low	68 Å²	68	118.4 Å²	118.4	36%	0.364	60%	0.6	S	S	.	*	H	α-helix	trans	-81.4	-29.6	174.3	-74.3	-62.5	0	0	0	112.2	F844 F845 S850 K851	F844-N848 WeakPolarHBondContact CD1-ND2 3Å; F844-N848 VanDerWaalsContact CE1-ND2 3.31Å; F844-N848 WeakPolarHBondContact CE1-ND2 3.06Å; F844-N848 WeakPolarHBondContact O-CB 3.24Å; F844-N848 PolarHBondContact O-N 3.04Å; F844-N848 VanDerWaalsContact O-N 3.08Å; F844-N848 PolarHBondContact O-ND2 2.86Å; F845-N848 PolarHBondContact O-N 2.86Å; N848-S850 PolarHBondContact O-N 3.08Å; N848-K851 PolarHBondContact O-N 2.83Å
849	R	43.2	Very low	49.5	Very low	211 Å²	211	123.7 Å²	123.7	80%	0.796	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	13.1	170.5	-154.2	178.9	-168.6	169.5	5.6	113.9	F845	F845-R849 VanDerWaalsContact O-CB 3.24Å; F845-R849 WeakPolarHBondContact O-CB 3.39Å; F845-R849 PolarHBondContact O-N 3.32Å
850	S	41.7	Very low	48.7	Very low	103 Å²	103	124.1 Å²	124.1	72%	0.72	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.9	15.6	166.3	-59.5	0	0	0	0	112.1	N848	N848-S850 PolarHBondContact O-N 3.08Å
851	K	39.4	Very low	47.9	Very low	171 Å²	171	126.6 Å²	126.6	74%	0.743	64%	0.642	S	S	*	*			trans	-129.9	5.1	177.8	-67.1	-175.9	178	179.3	0	113.4	N848	N848-K851 PolarHBondContact O-N 2.83Å
852	C	32.3	Very low	47.1	Very low	173 Å²	173	128.9 Å²	128.9	100%	1.169	66%	0.655	S	S	*	*			trans	-133.3	0	167.5	-60.6	0	0	0	0	107.7

Retrieved 852 of 852 residues in 492.1 ms (Link to these results)

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