PDE4D_HUMAN Loading...

Isoform 3 of 3',5'-cyclic-AMP phosphodiesterase 4D AlphaSync

Canonical isoform description: Hydrolyzes the second messenger cAMP, which is a key regulator of many important physiological processes.

AlphaFold DB , UniProt , Accession Q08499-2 (canonical: Q08499), Species HUMAN (Homo sapiens, Human), Gene PDE4D, Length 673 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.5	Very low	31.5	Very low	244 Å²	244	176 Å²	176	100%	1.202	85%	0.845	S	S	*	*				0	78.6	0	-124.8	170.9	-172	0	0	109.4
2	M	30	Very low	31.2	Very low	182 Å²	182	171.6 Å²	171.6	90%	0.897	82%	0.822	S	S	*	*			trans	-158.5	96.4	150.5	-84.3	-159.4	-171.7	0	0	102.9	V4	M2-V4 PolarHBondContact O-N 2.98Å
3	H	30.5	Very low	30.9	Very low	188 Å²	188	165.3 Å²	165.3	87%	0.87	81%	0.807	S	S	*	*			trans	-70	115.5	169.9	-91.5	-78	0	0	0	107
4	V	36.9	Very low	30.5	Very low	137 Å²	137	165.4 Å²	165.4	83%	0.83	80%	0.795	S	S	*	*			trans	-106.5	125.7	164.1	-176.8	0	0	0	0	106.8	M2	M2-V4 PolarHBondContact O-N 2.98Å
5	N	33.8	Very low	30.3	Very low	142 Å²	142	162.9 Å²	162.9	76%	0.759	79%	0.786	S	S	*	*			trans	-64.4	146.4	-166.8	-72	-44	0	0	0	113.9	F7	N5-F7 PolarHBondContact O-N 3.27Å
6	N	31.9	Very low	30.3	Very low	163 Å²	163	157.4 Å²	157.4	87%	0.872	77%	0.768	S	S	*	*			trans	-36.4	122.3	165.7	-81.8	-26.3	0	0	0	113.9
7	F	29	Very low	30.2	Very low	180 Å²	180	158.6 Å²	158.6	79%	0.789	77%	0.769	S	S	*	*			trans	-113.3	123.4	147.3	-95.5	-86	0	0	0	107.4	N5 F9	N5-F7 PolarHBondContact O-N 3.27Å; F7-F9 VanDerWaalsContact C-N 3.35Å; F7-F9 PolarHBondContact O-N 3.47Å; F7-F9 VanDerWaalsContact O-N 3.13Å
8	P	32	Very low	30.1	Very low	125 Å²	125	155.8 Å²	155.8	81%	0.812	76%	0.758	S	S	*	*			trans	-84	85.9	169	33.2	-27.1	0	0	0	107.8	R10	P8-R10 PolarHBondContact O-N 3.06Å
9	F	31.6	Very low	30	Very low	155 Å²	155	153.8 Å²	153.8	68%	0.68	76%	0.756	S	S	*	*			trans	-85.5	93.8	157.7	-100.8	-83.5	0	0	0	107.5	F7 R11	F7-F9 VanDerWaalsContact C-N 3.35Å; F7-F9 PolarHBondContact O-N 3.47Å; F7-F9 VanDerWaalsContact O-N 3.13Å; F9-R11 PolarHBondContact O-N 2.88Å
10	R	27.3	Very low	30.1	Very low	222 Å²	222	153.2 Å²	153.2	84%	0.838	76%	0.756	S	S	*	*			trans	-63.5	90.6	156.4	-83.2	-170.3	177.9	-150.2	-0.6	107.3	P8	P8-R10 PolarHBondContact O-N 3.06Å
11	R	32.1	Very low	30	Very low	198 Å²	198	152.6 Å²	152.6	75%	0.747	76%	0.756	S	S	*	*			trans	-94.5	103.4	157.7	-83.3	-173.8	173.6	-180	-1.9	106.4	F9 S13	F9-R11 PolarHBondContact O-N 2.88Å; R11-S13 PolarHBondContact O-N 2.97Å
12	H	27.4	Very low	30	Very low	123 Å²	123	144.2 Å²	144.2	57%	0.569	73%	0.732	S	S	*	*			trans	-73.5	104.7	160.4	-74.6	86.7	0	0	0	107.2	W14	H12-W14 VanDerWaalsContact CB-CD1 3.44Å; H12-W14 HydrophobicContact CB-CG 4.48Å; H12-W14 VanDerWaalsContact CB-NE1 3.29Å; H12-W14 AromaticContact CD2-CE2 3.44Å; H12-W14 VanDerWaalsContact CD2-CE2 3.44Å; H12-W14 AromaticContact CD2-CZ2 3.53Å; H12-W14 AromaticContact CD2-NE1 3.13Å; H12-W14 PolarHBondContact CD2-NE1 3.15Å; H12-W14 AromaticContact CG-NE1 3.42Å
13	S	27.9	Very low	30	Very low	90 Å²	90	141.5 Å²	141.5	63%	0.629	73%	0.726	S	S	*	*			trans	-94.6	91.2	157	63.2	0	0	0	0	107	R11 I15	R11-S13 PolarHBondContact O-N 2.97Å; S13-I15 PolarHBondContact O-N 3.34Å
14	W	24.9	Very low	30	Very low	167 Å²	167	138.6 Å²	138.6	63%	0.633	73%	0.726	S	S	*	*			trans	-77.5	101.5	171	-66	93.9	0	0	0	108.4	H12 D18	H12-W14 VanDerWaalsContact CB-CD1 3.44Å; H12-W14 HydrophobicContact CB-CG 4.48Å; H12-W14 VanDerWaalsContact CB-NE1 3.29Å; H12-W14 AromaticContact CD2-CE2 3.44Å; H12-W14 VanDerWaalsContact CD2-CE2 3.44Å; H12-W14 AromaticContact CD2-CZ2 3.53Å; H12-W14 AromaticContact CD2-NE1 3.13Å; H12-W14 PolarHBondContact CD2-NE1 3.15Å; H12-W14 AromaticContact CG-NE1 3.42Å; W14-D18 HydrophobicContact CZ3-CB 4.06Å
15	I	28.1	Very low	29.9	Very low	128 Å²	128	137.2 Å²	137.2	66%	0.656	73%	0.729	S	S	*	*			trans	-130	71.1	145.5	-55.3	179.6	0	0	0	105.7	S13	S13-I15 PolarHBondContact O-N 3.34Å
16	C	29.6	Very low	29.9	Very low	75 Å²	75	134 Å²	134	51%	0.507	73%	0.73	S	S	.	*	S	Bend	trans	-151.6	116.4	158.6	-95.4	0	0	0	0	104.8	D18	C16-D18 PolarHBondContact O-N 3.5Å; C16-D18 VanDerWaalsContact O-N 3.13Å
17	F	28.3	Very low	29.9	Very low	177 Å²	177	137.8 Å²	137.8	78%	0.776	73%	0.732	S	S	*	*			trans	-60.5	111.1	169.7	-93.6	-95.7	0	0	0	107.9	Y541	F17-Y541 HydrophobicContact CZ-CD2 4.35Å; F17-Y541 HydrophobicContact CZ-CG 4.48Å
18	D	29	Very low	30.1	Very low	108 Å²	108	135 Å²	135	58%	0.578	74%	0.735	S	S	*	*			trans	-106	103.8	167.8	-149.4	-16.1	0	0	0	107.3	W14 C16 D20	W14-D18 HydrophobicContact CZ3-CB 4.06Å; C16-D18 PolarHBondContact O-N 3.5Å; C16-D18 VanDerWaalsContact O-N 3.13Å; D18-D20 PolarHBondContact O-N 2.86Å
19	V	29.2	Very low	30.4	Very low	119 Å²	119	134.7 Å²	134.7	72%	0.721	73%	0.733	S	S	*	*			trans	-93.7	85.8	168.6	174.4	0	0	0	0	106
20	D	31.3	Very low	30.6	Very low	141 Å²	141	135.6 Å²	135.6	75%	0.754	74%	0.744	S	S	*	*			trans	-102.5	99.6	176.9	-128.7	-6.4	0	0	0	109.5	D18	D18-D20 PolarHBondContact O-N 2.86Å
21	N	28.1	Very low	30.9	Very low	141 Å²	141	132.4 Å²	132.4	75%	0.754	74%	0.744	S	S	*	*			trans	-96.3	83.9	174.3	-164.2	50.9	0	0	0	109.2
22	G	32	Very low	31.1	Very low	68 Å²	68	127.8 Å²	127.8	70%	0.701	74%	0.739	S	S	*	*			trans	-95.1	107.7	178.5	0	0	0	0	0	113.1
23	T	29.8	Very low	31.4	Very low	124 Å²	124	130.1 Å²	130.1	76%	0.761	75%	0.752	S	S	*	*			trans	-75.2	133.1	170.3	48.6	0	0	0	0	111.2
24	S	30.9	Very low	31.7	Very low	127 Å²	127	132.2 Å²	132.2	89%	0.888	76%	0.761	S	S	*	*			trans	-108.9	123.5	172.1	-70.1	0	0	0	0	110.8
25	A	34.6	Very low	32.1	Very low	108 Å²	108	129.7 Å²	129.7	89%	0.893	77%	0.769	S	S	*	*			trans	-122.5	130.6	172	0	0	0	0	0	110
26	G	32.3	Very low	32.7	Very low	75 Å²	75	129.5 Å²	129.5	77%	0.773	78%	0.776	S	S	*	*			trans	156.3	71.7	160.8	0	0	0	0	0	120.5
27	R	33	Very low	32.7	Very low	243 Å²	243	129.5 Å²	129.5	92%	0.917	79%	0.789	S	S	*	*			trans	56	106.1	131.3	-63.9	-176.2	174.1	-157.1	-1.5	122.3
28	S	33.6	Very low	33.1	Very low	121 Å²	121	127.2 Å²	127.2	85%	0.846	80%	0.795	S	S	*	*				70.3	150.2	115.7	-70.4	0	0	0	0	125.1
29	P	37.7	Very low	33.1	Very low	118 Å²	118	125.6 Å²	125.6	77%	0.766	80%	0.804	S	S	*	*			trans	-120	172.4	-151.9	40	-23.3	0	0	0	115.3
30	L	34.8	Very low	33.4	Very low	174 Å²	174	128.4 Å²	128.4	91%	0.911	81%	0.814	S	S	*	*			trans	-139.8	137.1	165.8	-88.7	164.7	0	0	0	112.8
31	D	34.1	Very low	33.4	Very low	156 Å²	156	129.1 Å²	129.1	83%	0.834	82%	0.816	S	S	*	*			trans	-50.6	168.9	-165.9	-84	-48.5	0	0	0	123.8
32	P	36.4	Very low	33.8	Very low	100 Å²	100	130.6 Å²	130.6	65%	0.649	82%	0.823	S	S	*	*			trans	-107.3	167.2	-166.2	41.7	-31.5	0	0	0	114.6
33	M	33.8	Very low	33.6	Very low	173 Å²	173	136.1 Å²	136.1	85%	0.852	83%	0.831	S	S	*	*			trans	-154.3	136.5	161	-88.8	-55.9	154.3	0	0	113.6
34	T	34.1	Very low	33.7	Very low	133 Å²	133	134.5 Å²	134.5	82%	0.816	83%	0.83	S	S	*	*			trans	83.5	100.1	149.7	54.6	0	0	0	0	122.3
35	S	34.2	Very low	33.6	Very low	114 Å²	114	136.1 Å²	136.1	80%	0.797	83%	0.829	S	S	*	*			trans	-70.5	-167.8	153.7	-30.6	0	0	0	0	113
36	P	39.7	Very low	33.5	Very low	124 Å²	124	140.9 Å²	140.9	81%	0.805	83%	0.83	S	S	*	*			cis	-135.6	158.6	-26.7	24	-1.1	0	0	0	115.6
37	G	30.6	Very low	33.4	Very low	75 Å²	75	143.3 Å²	143.3	77%	0.773	83%	0.829	S	S	*	*			trans	42.4	122.9	131	0	0	0	0	0	123.6
38	S	36.3	Very low	33.3	Very low	130 Å²	130	139.2 Å²	139.2	91%	0.909	82%	0.82	S	S	*	*			trans	-160.4	126	138.9	-84.4	0	0	0	0	110
39	G	29.5	Very low	33.4	Very low	74 Å²	74	138.9 Å²	138.9	76%	0.763	82%	0.818	S	S	*	*			trans	-83.9	174.7	-173.5	0	0	0	0	0	114.9
40	L	35.3	Very low	33.3	Very low	178 Å²	178	141.7 Å²	141.7	93%	0.932	82%	0.821	S	S	*	*			trans	-164.6	126.2	155.2	-106.3	162.5	0	0	0	110.2
41	I	29.8	Very low	33.3	Very low	156 Å²	156	144.8 Å²	144.8	80%	0.8	82%	0.821	S	S	*	*			trans	-72.2	140.6	170.6	-67	162.2	0	0	0	109.2
42	L	37.2	Very low	33.7	Very low	172 Å²	172	149 Å²	149	90%	0.901	83%	0.825	S	S	*	*			trans	-155.3	124.6	151.4	-101	168	0	0	0	111.4
43	Q	27.3	Very low	33.6	Very low	183 Å²	183	152.9 Å²	152.9	86%	0.855	83%	0.834	S	S	*	*			trans	-66.3	146.1	168.1	-66	167.5	-65	0	0	111.4
44	A	31.8	Very low	33.8	Very low	91 Å²	91	149.7 Å²	149.7	75%	0.752	83%	0.829	S	S	*	*			trans	-163.1	123.7	145.1	0	0	0	0	0	112.1
45	N	29	Very low	34.2	Very low	161 Å²	161	153 Å²	153	86%	0.861	83%	0.832	S	S	*	*			trans	-62.6	136.6	164	-77.7	-25.3	0	0	0	110.8
46	F	32	Very low	34.6	Very low	207 Å²	207	154.5 Å²	154.5	91%	0.908	83%	0.83	S	S	*	*			trans	-128.2	117.8	158.2	-111.3	-93.5	0	0	0	110.4
47	V	30.3	Very low	34.5	Very low	127 Å²	127	158.5 Å²	158.5	77%	0.77	83%	0.831	S	S	*	*			trans	-84.5	149	161.8	-169.1	0	0	0	0	106.4
48	H	31.9	Very low	34.8	Very low	156 Å²	156	165 Å²	165	72%	0.722	83%	0.832	S	S	*	*			trans	114.2	96.1	159.2	-143.9	76.8	0	0	0	116.6
49	S	34.9	Very low	35	Very low	114 Å²	114	163.9 Å²	163.9	80%	0.797	82%	0.824	S	S	*	*			trans	-155	99.2	143.2	53.1	0	0	0	0	109.6	R51	S49-R51 PolarHBondContact O-N 3.26Å
50	Q	35.4	Very low	35.3	Very low	178 Å²	178	167.5 Å²	167.5	83%	0.832	83%	0.826	S	S	*	*			trans	-56.9	118.8	170.9	-82.6	166.9	-71.4	0	0	110.4
51	R	35.5	Very low	35.6	Very low	239 Å²	239	164 Å²	164	90%	0.902	82%	0.816	S	S	*	*			trans	-111.6	124.8	167.4	-154.6	180	-166.4	-159.7	4.8	108.4	S49 E53	S49-R51 PolarHBondContact O-N 3.26Å; R51-E53 PolarHBondContact O-N 3.08Å
52	R	42.1	Very low	35.9	Very low	245 Å²	245	164 Å²	164	93%	0.925	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-46.7	120.2	-172.3	-171.3	178.7	-178.8	-173.1	0.3	113.8
53	E	35.9	Very low	35.9	Very low	181 Å²	181	166.3 Å²	166.3	85%	0.846	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-67.3	140.7	170.8	-69.6	178.4	172.9	0	0	111.6	R51	R51-E53 PolarHBondContact O-N 3.08Å
54	S	37.2	Very low	36.4	Very low	105 Å²	105	165.5 Å²	165.5	73%	0.734	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-71.2	144.7	174.3	51.4	0	0	0	0	110.9	L56	S54-L56 PolarHBondContact O-N 3.3Å
55	F	42.9	Very low	36.7	Very low	202 Å²	202	168.7 Å²	168.7	89%	0.886	82%	0.822	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	16.2	-165.2	-156.6	-97.6	0	0	0	115.5
56	L	42.4	Very low	36.9	Very low	146 Å²	146	166.4 Å²	166.4	76%	0.764	82%	0.818	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.2	2	-167.3	-78	170.8	0	0	0	116.4	S54	S54-L56 PolarHBondContact O-N 3.3Å
57	Y	36.9	Very low	37.1	Very low	209 Å²	209	161.8 Å²	161.8	82%	0.82	81%	0.809	S	S	*	*			trans	-140.4	101.9	167.6	-101.5	-97	0	0	0	110.4
58	R	37.1	Very low	37.5	Very low	210 Å²	210	165.9 Å²	165.9	79%	0.792	82%	0.817	S	S	*	*			trans	-117.3	111.9	154.8	-79.3	-163.2	178.8	155.1	1.4	107.5	D60	R58-D60 VanDerWaalsContact C-N 3.29Å; R58-D60 PolarHBondContact O-N 3.34Å; R58-D60 VanDerWaalsContact O-N 3.08Å
59	S	41.4	Very low	37.7	Very low	107 Å²	107	164.1 Å²	164.1	75%	0.748	82%	0.822	S	S	*	*			trans	-75.6	86.3	164.7	-64	0	0	0	0	108.1	S61	S59-S61 PolarHBondContact O-N 3.42Å
60	D	34.6	Very low	37.7	Very low	151 Å²	151	166.6 Å²	166.6	81%	0.807	82%	0.823	S	S	*	*			trans	-74.2	103.3	162.8	-80.4	-25.6	0	0	0	107.8	R58	R58-D60 VanDerWaalsContact C-N 3.29Å; R58-D60 PolarHBondContact O-N 3.34Å; R58-D60 VanDerWaalsContact O-N 3.08Å
61	S	41.4	Very low	37.9	Very low	103 Å²	103	164 Å²	164	72%	0.72	83%	0.825	S	S	*	*			trans	-130.6	82	162.9	66.9	0	0	0	0	109.2	S59	S59-S61 PolarHBondContact O-N 3.42Å
62	D	36.7	Very low	38.1	Very low	157 Å²	157	162.2 Å²	162.2	84%	0.84	82%	0.818	S	S	*	*			trans	-144.6	99.1	162.5	-85.7	-37.1	0	0	0	107.4
63	Y	37	Very low	37.7	Very low	220 Å²	220	157.5 Å²	157.5	86%	0.863	81%	0.811	S	S	*	*			trans	160.1	90.5	148.7	-103.9	-87.7	0	0	0	108.9
64	D	38.4	Very low	37.5	Very low	167 Å²	167	154.1 Å²	154.1	89%	0.893	81%	0.807	S	S	*	*			trans	-157.3	128.5	132.1	-125.7	-24.7	0	0	0	112.2
65	L	37.4	Very low	37.4	Very low	157 Å²	157	154.5 Å²	154.5	82%	0.822	81%	0.81	S	S	*	*			trans	-86.8	112	-178.6	-71.7	160.3	0	0	0	109.3
66	S	34	Very low	36.9	Very low	114 Å²	114	153 Å²	153	80%	0.797	81%	0.81	S	S	*	*			trans	178.8	128.2	137.1	-165.2	0	0	0	0	112
67	P	35.8	Very low	36.3	Very low	110 Å²	110	150.9 Å²	150.9	71%	0.714	81%	0.813	S	S	*	*			trans	-100	141.8	-174.4	36.3	-29.7	0	0	0	112.6
68	K	38.1	Very low	36.2	Very low	212 Å²	212	145.9 Å²	145.9	92%	0.922	81%	0.809	S	S	*	*			trans	174.1	129.7	140.1	-96.5	157.7	-171.3	179.5	0	111.7
69	S	36.7	Very low	35.8	Very low	120 Å²	120	143.8 Å²	143.8	84%	0.839	81%	0.813	S	S	*	*			trans	123.5	98.3	152.3	-171.8	0	0	0	0	113.6
70	M	36.2	Very low	35.6	Very low	166 Å²	166	146.5 Å²	146.5	82%	0.818	82%	0.818	S	S	*	*			trans	-62.3	132.9	169.8	-60.7	159.8	63.2	0	0	110.9
71	S	37.9	Very low	35.6	Very low	124 Å²	124	148.3 Å²	148.3	87%	0.867	82%	0.821	S	S	*	*			trans	-139.7	133.9	143.5	-170	0	0	0	0	109.7
72	R	39.4	Very low	35.1	Very low	200 Å²	200	146.7 Å²	146.7	76%	0.755	82%	0.821	S	S	*	*			trans	-79.5	144.4	-165.3	-75	163.1	157.4	162.2	-7.1	112
73	N	34.1	Very low	35.2	Very low	147 Å²	147	146.2 Å²	146.2	79%	0.786	82%	0.818	S	S	*	*				47.7	136	129.1	-57	51	0	0	0	117.8
74	S	33.3	Very low	35.6	Very low	110 Å²	110	143.7 Å²	143.7	77%	0.769	82%	0.82	S	S	*	*			cis	-167.6	142	32.6	24.2	0	0	0	0	111
75	S	33.1	Very low	36.4	Very low	113 Å²	113	142.2 Å²	142.2	79%	0.79	81%	0.811	S	S	*	*			trans	-53.4	131.3	167.1	49.8	0	0	0	0	115
76	I	32.5	Very low	37.2	Very low	171 Å²	171	141.2 Å²	141.2	88%	0.877	81%	0.805	S	S	*	*			trans	-164.7	135.1	146.5	-109.3	163.6	0	0	0	106.6
77	A	30.9	Very low	38.7	Very low	100 Å²	100	138.5 Å²	138.5	83%	0.826	78%	0.783	S	S	*	*	S	Bend	trans	84.1	81.3	175	0	0	0	0	0	118.1
78	S	33.9	Very low	40.5	Very low	105 Å²	105	135.6 Å²	135.6	73%	0.734	76%	0.764	S	S	*	*			trans	-157.6	21.5	147.5	62.7	0	0	0	0	115.4	I80	S78-I80 PolarHBondContact O-N 3.31Å
79	D	28.5	Very low	42.5	Very low	166 Å²	166	126.9 Å²	126.9	89%	0.888	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	43.9	-179.1	-72.3	-24.2	0	0	0	113.8
80	I	37.2	Very low	44.6	Very low	164 Å²	164	122 Å²	122	84%	0.841	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.7	21.8	173.9	-49.1	175.1	0	0	0	112.6	S78	S78-I80 PolarHBondContact O-N 3.31Å
81	H	34.3	Very low	46.8	Very low	188 Å²	188	116 Å²	116	87%	0.87	67%	0.669	S	S	*	*			trans	-111.8	86.2	163	-78.3	-51.8	0	0	0	108.6
82	G	32.8	Very low	49	Very low	70 Å²	70	114.9 Å²	114.9	72%	0.722	65%	0.65	S	S	*	*			trans	-57.3	135.6	161.1	0	0	0	0	0	108.3	D84	G82-D84 PolarHBondContact O-N 2.97Å
83	D	38.3	Very low	51.2	Low	146 Å²	146	109.1 Å²	109.1	78%	0.781	64%	0.637	S	S	*	*			trans	-31.4	129.2	177	-69.2	-52.2	0	0	0	111.5	L85	D83-L85 PolarHBondContact O-N 2.84Å
84	D	44.1	Very low	53.7	Low	168 Å²	168	102.6 Å²	102.6	90%	0.898	60%	0.602	S	S	*	*			trans	-61.4	75.9	169	-95.6	-28.4	0	0	0	108.5	G82 I86	G82-D84 PolarHBondContact O-N 2.97Å; D84-I86 PolarHBondContact O-N 3.11Å
85	L	56.7	Low	56.2	Low	136 Å²	136	100 Å²	100	71%	0.712	59%	0.587	S	S	*	*			trans	-56.5	130.4	161.1	-82.6	115.6	0	0	0	105.4	D83 V87	D83-L85 PolarHBondContact O-N 2.84Å; L85-V87 HydrophobicContact CB-CG2 3.93Å; L85-V87 WeakPolarHBondContact O-CG2 3.33Å; L85-V87 PolarHBondContact O-N 3.48Å
86	I	52.6	Low	58.9	Low	135 Å²	135	97.7 Å²	97.7	69%	0.692	57%	0.571	S	S	*	*			trans	-67.7	84.1	174.9	-60.4	174	0	0	0	107.3	D84 F172	D84-I86 PolarHBondContact O-N 3.11Å; I86-F172 HydrophobicContact CG2-CE1 3.4Å; I86-F172 VanDerWaalsContact CG2-CE1 3.4Å; I86-F172 HydrophobicContact CG2-CZ 3.75Å
87	V	66.4	Low	61.7	Low	57 Å²	57	92 Å²	92	35%	0.345	54%	0.542	S	S	.	.			trans	-94.1	131.1	175.3	-176.4	0	0	0	0	107	L85 A91 Q92 K171	L85-V87 HydrophobicContact CB-CG2 3.93Å; L85-V87 WeakPolarHBondContact O-CG2 3.33Å; L85-V87 PolarHBondContact O-N 3.48Å; V87-A91 HydrophobicContact CG1-CB 3.76Å; V87-Q92 HydrophobicContact CG1-CB 4.15Å; V87-K171 PolarHBondContact O-NZ 3.36Å
88	T	74.3	Confident	64.5	Low	49 Å²	49	93 Å²	93	30%	0.301	52%	0.524	S	S	.	.			trans	-58	141.5	175.1	59.6	0	0	0	0	108.8	F90 A91 Q92 A168	T88-F90 PolarHBondContact O-N 2.87Å; T88-A91 PolarHBondContact O-N 3.28Å; T88-A91 VanDerWaalsContact O-N 3.08Å; T88-A91 VanDerWaalsContact OG1-CB 3.24Å; T88-A91 WeakPolarHBondContact OG1-CB 3.35Å; T88-A91 PolarHBondContact OG1-N 3.31Å; T88-Q92 PolarHBondContact O-N 3.39Å; T88-A168 HydrophobicContact CG2-CB 3.96Å
89	P	78.8	Confident	67.2	Low	30 Å²	30	91.6 Å²	91.6	20%	0.195	51%	0.512	C	S	.	.	H	α-helix	trans	-56.4	-38.3	-175.9	18.2	-26.4	0	0	0	111.6	Q92 V93 M167 K171	P89-Q92 WeakPolarHBondContact O-CB 3.27Å; P89-Q92 PolarHBondContact O-N 2.7Å; P89-V93 WeakPolarHBondContact O-CG2 3.4Å; P89-V93 PolarHBondContact O-N 2.81Å; P89-M167 HydrophobicContact CG-CB 3.98Å; P89-M167 WeakPolarHBondContact CG-O 3.46Å; P89-K171 HydrophobicContact CB-CD 4.05Å; P89-K171 HydrophobicContact CG-CB 4.09Å; P89-K171 HydrophobicContact CG-CD 3.92Å
90	F	81.9	Confident	70.3	Confident	17 Å²	17	87.6 Å²	87.6	8%	0.075	49%	0.493	C	S	.	.	H	α-helix	trans	-61.4	-47.2	175.9	-169.1	-108.5	0	0	0	113.1	T88 Q92 V93 L94 L155 Q159 V164 M167	T88-F90 PolarHBondContact O-N 2.87Å; F90-Q92 VanDerWaalsContact C-N 3.28Å; F90-Q92 PolarHBondContact O-N 3.22Å; F90-V93 PolarHBondContact O-N 3.44Å; F90-L94 HydrophobicContact CD1-CD1 3.81Å; F90-L94 HydrophobicContact CD1-CG 4.35Å; F90-L94 HydrophobicContact CE1-CD1 3.31Å; F90-L94 HydrophobicContact CE1-CG 3.95Å; F90-L94 HydrophobicContact CZ-CD1 3.87Å; F90-L94 HydrophobicContact CZ-CD2 4.43Å; F90-L94 HydrophobicContact CZ-CG 4.07Å; F90-L94 PolarHBondContact O-N 3.42Å; F90-L155 HydrophobicContact CE2-CD2 4.16Å; F90-L155 HydrophobicContact CZ-CB 4.19Å; F90-L155 HydrophobicContact CZ-CD2 4.48Å; F90-L155 VanDerWaalsContact CZ-O 3.22Å; F90-L155 WeakPolarHBondContact CZ-O 3.1Å; F90-Q159 HydrophobicContact CE1-CG 4.48Å; F90-V164 HydrophobicContact CB-CG1 3.92Å; F90-V164 HydrophobicContact CB-CG2 4.46Å; F90-V164 HydrophobicContact CD1-CG1 4.03Å; F90-V164 HydrophobicContact CD1-CG2 3.67Å; F90-V164 HydrophobicContact CD2-CG2 4.47Å; F90-V164 HydrophobicContact CE1-CG2 3.99Å; F90-V164 HydrophobicContact CG-CG1 4.2Å; F90-V164 HydrophobicContact CG-CG2 3.94Å; F90-M167 HydrophobicContact CB-SD 4.33Å; F90-M167 HydrophobicContact CD2-SD 4.1Å
91	A	81.6	Confident	72.9	Confident	39 Å²	39	83.4 Å²	83.4	32%	0.322	47%	0.467	S	S	.	.	H	α-helix	trans	-64.2	-34.3	176.7	0	0	0	0	0	112.2	V87 T88 A95	V87-A91 HydrophobicContact CG1-CB 3.76Å; T88-A91 PolarHBondContact O-N 3.28Å; T88-A91 VanDerWaalsContact O-N 3.08Å; T88-A91 VanDerWaalsContact OG1-CB 3.24Å; T88-A91 WeakPolarHBondContact OG1-CB 3.35Å; T88-A91 PolarHBondContact OG1-N 3.31Å; A91-A95 VanDerWaalsContact O-CB 3.27Å; A91-A95 WeakPolarHBondContact O-CB 2.85Å; A91-A95 PolarHBondContact O-N 3.43Å
92	Q	84.3	Confident	75.5	Confident	102 Å²	102	78.7 Å²	78.7	48%	0.477	45%	0.448	S	S	.	.	H	α-helix	trans	-67	-41.2	174.6	-173.2	177.3	-0.6	0	0	111.7	V87 T88 P89 F90 S96	V87-Q92 HydrophobicContact CG1-CB 4.15Å; T88-Q92 PolarHBondContact O-N 3.39Å; P89-Q92 WeakPolarHBondContact O-CB 3.27Å; P89-Q92 PolarHBondContact O-N 2.7Å; F90-Q92 VanDerWaalsContact C-N 3.28Å; F90-Q92 PolarHBondContact O-N 3.22Å; Q92-S96 WeakPolarHBondContact O-CB 3.42Å; Q92-S96 PolarHBondContact O-N 3.4Å; Q92-S96 PolarHBondContact O-OG 3.21Å
93	V	86.2	Confident	78.4	Confident	78 Å²	78	79.8 Å²	79.8	47%	0.473	44%	0.437	S	S	.	.	H	α-helix	trans	-63.6	-49.4	173.9	170.4	0	0	0	0	110.3	P89 F90 A95 S96 L97	P89-V93 WeakPolarHBondContact O-CG2 3.4Å; P89-V93 PolarHBondContact O-N 2.81Å; F90-V93 PolarHBondContact O-N 3.44Å; V93-A95 PolarHBondContact O-N 3.44Å; V93-S96 WeakPolarHBondContact O-CB 3.43Å; V93-S96 PolarHBondContact O-N 3.42Å; V93-S96 VanDerWaalsContact O-N 3.16Å; V93-L97 HydrophobicContact CG1-CD1 3.8Å; V93-L97 HydrophobicContact CG1-CG 4.28Å; V93-L97 WeakPolarHBondContact O-CG 3.24Å; V93-L97 PolarHBondContact O-N 2.99Å
94	L	85.8	Confident	80.9	Confident	11 Å²	11	75.5 Å²	75.5	6%	0.058	41%	0.412	C	S	.	.	H	α-helix	trans	-58.9	-46.4	177	-80.3	179.4	0	0	0	112.6	F90 S96 L97 R98 L152 L155 E156	F90-L94 HydrophobicContact CD1-CD1 3.81Å; F90-L94 HydrophobicContact CD1-CG 4.35Å; F90-L94 HydrophobicContact CE1-CD1 3.31Å; F90-L94 HydrophobicContact CE1-CG 3.95Å; F90-L94 HydrophobicContact CZ-CD1 3.87Å; F90-L94 HydrophobicContact CZ-CD2 4.43Å; F90-L94 HydrophobicContact CZ-CG 4.07Å; F90-L94 PolarHBondContact O-N 3.42Å; L94-S96 VanDerWaalsContact C-N 3.28Å; L94-S96 PolarHBondContact O-N 2.7Å; L94-L97 PolarHBondContact O-N 2.86Å; L94-R98 WeakPolarHBondContact O-CB 3.39Å; L94-R98 WeakPolarHBondContact O-CG 3.32Å; L94-R98 PolarHBondContact O-N 2.92Å; L94-L152 HydrophobicContact CD2-CD2 4.24Å; L94-L155 HydrophobicContact CD2-CB 3.78Å; L94-L155 HydrophobicContact CD2-CD1 4.27Å; L94-E156 HydrophobicContact CD1-CG 4.33Å; L94-E156 HydrophobicContact CD2-CG 4.35Å
95	A	86.4	Confident	83.1	Confident	54 Å²	54	67.8 Å²	67.8	45%	0.446	37%	0.371	S	S	.	.	H	α-helix	trans	-62	-38	176.8	0	0	0	0	0	112.1	A91 V93 T99	A91-A95 VanDerWaalsContact O-CB 3.27Å; A91-A95 WeakPolarHBondContact O-CB 2.85Å; A91-A95 PolarHBondContact O-N 3.43Å; V93-A95 PolarHBondContact O-N 3.44Å; A95-T99 PolarHBondContact O-N 3.05Å; A95-T99 PolarHBondContact O-OG1 3.46Å
96	S	89.5	Confident	84.6	Confident	65 Å²	65	63.7 Å²	63.7	46%	0.455	36%	0.357	S	S	.	.	H	α-helix	trans	-67.1	-46.2	176.4	-58.1	0	0	0	0	111.1	Q92 V93 L94 T99 V100	Q92-S96 WeakPolarHBondContact O-CB 3.42Å; Q92-S96 PolarHBondContact O-N 3.4Å; Q92-S96 PolarHBondContact O-OG 3.21Å; V93-S96 WeakPolarHBondContact O-CB 3.43Å; V93-S96 PolarHBondContact O-N 3.42Å; V93-S96 VanDerWaalsContact O-N 3.16Å; L94-S96 VanDerWaalsContact C-N 3.28Å; L94-S96 PolarHBondContact O-N 2.7Å; S96-T99 WeakPolarHBondContact O-CB 3.18Å; S96-T99 PolarHBondContact O-N 2.86Å; S96-T99 VanDerWaalsContact O-N 3.16Å; S96-V100 WeakPolarHBondContact O-CG2 3.18Å; S96-V100 PolarHBondContact O-N 3.29Å
97	L	91.6	Very high	86.3	Confident	53 Å²	53	63.6 Å²	63.6	28%	0.277	36%	0.357	S	S	.	.	H	α-helix	trans	-64.7	-41.1	178.1	-71	172.9	0	0	0	112.2	V93 L94 T99 V100 R101 L152 L155	V93-L97 HydrophobicContact CG1-CD1 3.8Å; V93-L97 HydrophobicContact CG1-CG 4.28Å; V93-L97 WeakPolarHBondContact O-CG 3.24Å; V93-L97 PolarHBondContact O-N 2.99Å; L94-L97 PolarHBondContact O-N 2.86Å; L97-T99 VanDerWaalsContact C-N 3.27Å; L97-T99 PolarHBondContact O-N 3.3Å; L97-V100 WeakPolarHBondContact O-CB 3.48Å; L97-V100 PolarHBondContact O-N 3.49Å; L97-V100 VanDerWaalsContact O-N 3.14Å; L97-R101 WeakPolarHBondContact O-CB 3.43Å; L97-R101 PolarHBondContact O-N 2.88Å; L97-L152 HydrophobicContact CB-CD2 3.68Å; L97-L152 HydrophobicContact CD1-CD2 4.42Å; L97-L155 HydrophobicContact CD1-CD1 3.63Å
98	R	89.1	Confident	87.2	Confident	119 Å²	119	61.1 Å²	61.1	45%	0.449	34%	0.342	S	S	.	.	H	α-helix	trans	-60.6	-36.9	172.2	-73	174.6	176.6	179.3	-5.3	111.9	L94 R101 N102 L152 E156	L94-R98 WeakPolarHBondContact O-CB 3.39Å; L94-R98 WeakPolarHBondContact O-CG 3.32Å; L94-R98 PolarHBondContact O-N 2.92Å; R98-R101 PolarHBondContact O-N 2.91Å; R98-N102 WeakPolarHBondContact O-CB 3.28Å; R98-N102 VanDerWaalsContact O-CG 3.22Å; R98-N102 PolarHBondContact O-N 2.89Å; R98-N102 PolarHBondContact O-ND2 2.69Å; R98-L152 HydrophobicContact CG-CD1 4.4Å; R98-L152 HydrophobicContact CG-CD2 4.28Å; R98-E156 IonicContact CZ-OE1 3.85Å; R98-E156 VanDerWaalsContact CZ-OE1 3.29Å; R98-E156 IonicContact NE-OE1 2.85Å; R98-E156 PolarHBondContact NE-OE1 2.99Å; R98-E156 IonicContact NH2-OE1 2.71Å; R98-E156 PolarHBondContact NH2-OE1 2.83Å; R98-E156 IonicContact NH2-OE2 2.84Å; R98-E156 PolarHBondContact NH2-OE2 2.93Å
99	T	90.7	Very high	87.4	Confident	77 Å²	77	65.2 Å²	65.2	47%	0.472	36%	0.362	S	S	.	.	H	α-helix	trans	-67.1	-42.3	173.8	-56.7	0	0	0	0	111.4	A95 S96 L97 N102 N103	A95-T99 PolarHBondContact O-N 3.05Å; A95-T99 PolarHBondContact O-OG1 3.46Å; S96-T99 WeakPolarHBondContact O-CB 3.18Å; S96-T99 PolarHBondContact O-N 2.86Å; S96-T99 VanDerWaalsContact O-N 3.16Å; L97-T99 VanDerWaalsContact C-N 3.27Å; L97-T99 PolarHBondContact O-N 3.3Å; T99-N102 PolarHBondContact O-N 3.5Å; T99-N103 WeakPolarHBondContact O-CB 3.26Å; T99-N103 VanDerWaalsContact O-CG 3.27Å; T99-N103 PolarHBondContact O-N 3.19Å; T99-N103 PolarHBondContact O-ND2 3.37Å
100	V	92.9	Very high	86.9	Confident	82 Å²	82	65.8 Å²	65.8	50%	0.497	36%	0.364	S	S	.	.	H	α-helix	trans	-59.6	-46.5	173.9	171.6	0	0	0	0	110.7	S96 L97 N102 N103 F104	S96-V100 WeakPolarHBondContact O-CG2 3.18Å; S96-V100 PolarHBondContact O-N 3.29Å; L97-V100 WeakPolarHBondContact O-CB 3.48Å; L97-V100 PolarHBondContact O-N 3.49Å; L97-V100 VanDerWaalsContact O-N 3.14Å; V100-N102 PolarHBondContact O-N 3.2Å; V100-N103 PolarHBondContact O-N 3.44Å; V100-F104 WeakPolarHBondContact O-CB 3.42Å; V100-F104 PolarHBondContact O-N 2.88Å
101	R	92.4	Very high	85.8	Confident	76 Å²	76	71.4 Å²	71.4	29%	0.287	39%	0.39	S	S	.	.	H	α-helix	trans	-57.2	-49.3	176.3	-173.6	-85.9	-174.1	-168.8	-5.4	112.2	L97 R98 N103 F104 A105 L145 L148 D149 L152	L97-R101 WeakPolarHBondContact O-CB 3.43Å; L97-R101 PolarHBondContact O-N 2.88Å; R98-R101 PolarHBondContact O-N 2.91Å; R101-N103 VanDerWaalsContact C-N 3.34Å; R101-N103 PolarHBondContact O-N 2.91Å; R101-F104 PolarHBondContact O-N 3.42Å; R101-A105 PolarHBondContact O-N 3.47Å; R101-L145 HydrophobicContact CG-CD1 3.91Å; R101-L148 HydrophobicContact CB-CD2 3.67Å; R101-L148 HydrophobicContact CB-CG 4.3Å; R101-L148 HydrophobicContact CG-CD2 3.94Å; R101-L148 HydrophobicContact CG-CG 4.31Å; R101-D149 WeakPolarHBondContact CG-OD1 3.42Å; R101-D149 IonicContact CZ-OD1 3.34Å; R101-D149 IonicContact CZ-OD2 3.87Å; R101-D149 IonicContact NE-OD1 3.98Å; R101-D149 PolarHBondContact NE-OD1 2.73Å; R101-D149 IonicContact NE-OD2 3.73Å; R101-D149 PolarHBondContact NE-OD2 2.93Å; R101-D149 IonicContact NH2-OD1 3.86Å; R101-D149 PolarHBondContact NH2-OD1 2.86Å; R101-D149 IonicContact NH2-OD2 2.92Å; R101-D149 PolarHBondContact NH2-OD2 3.14Å; R101-L152 HydrophobicContact CB-CD1 4.02Å; R101-L152 HydrophobicContact CG-CD1 4.05Å
102	N	89.8	Confident	84.2	Confident	89 Å²	89	77.2 Å²	77.2	48%	0.476	42%	0.416	S	S	.	.	H	α-helix	trans	-62.6	-40.6	178.9	-71.3	-22.5	0	0	0	112.2	R98 T99 V100 A106	R98-N102 WeakPolarHBondContact O-CB 3.28Å; R98-N102 VanDerWaalsContact O-CG 3.22Å; R98-N102 PolarHBondContact O-N 2.89Å; R98-N102 PolarHBondContact O-ND2 2.69Å; T99-N102 PolarHBondContact O-N 3.5Å; V100-N102 PolarHBondContact O-N 3.2Å; N102-A106 PolarHBondContact O-N 3.15Å
103	N	92.5	Very high	82.1	Confident	93 Å²	93	84 Å²	84	50%	0.497	44%	0.437	S	S	.	.	H	α-helix	trans	-69.2	-38.9	176.1	-71.2	-28.4	0	0	0	111.9	T99 V100 R101 A106 L107	T99-N103 WeakPolarHBondContact O-CB 3.26Å; T99-N103 VanDerWaalsContact O-CG 3.27Å; T99-N103 PolarHBondContact O-N 3.19Å; T99-N103 PolarHBondContact O-ND2 3.37Å; V100-N103 PolarHBondContact O-N 3.44Å; R101-N103 VanDerWaalsContact C-N 3.34Å; R101-N103 PolarHBondContact O-N 2.91Å; N103-A106 PolarHBondContact O-N 3.23Å; N103-L107 WeakPolarHBondContact O-CB 3.09Å; N103-L107 VanDerWaalsContact O-CG 3.24Å; N103-L107 WeakPolarHBondContact O-CG 3.27Å; N103-L107 PolarHBondContact O-N 3.15Å
104	F	92.1	Very high	79.6	Confident	56 Å²	56	84 Å²	84	25%	0.246	45%	0.445	C	S	.	.	H	α-helix	trans	-62.2	-49	177.2	-176.1	-99.5	0	0	0	111.1	V100 R101 A106 L107 T108 A141 T144 L145	V100-F104 WeakPolarHBondContact O-CB 3.42Å; V100-F104 PolarHBondContact O-N 2.88Å; R101-F104 PolarHBondContact O-N 3.42Å; F104-A106 VanDerWaalsContact C-N 3.26Å; F104-A106 PolarHBondContact O-N 2.86Å; F104-L107 PolarHBondContact O-N 3.14Å; F104-L107 VanDerWaalsContact O-N 3.07Å; F104-T108 HydrophobicContact CD1-CG2 4.35Å; F104-T108 HydrophobicContact CD2-CG2 4.33Å; F104-T108 HydrophobicContact CE1-CG2 3.98Å; F104-T108 HydrophobicContact CE2-CG2 3.95Å; F104-T108 HydrophobicContact CZ-CG2 3.77Å; F104-T108 PolarHBondContact O-N 3.26Å; F104-T108 PolarHBondContact O-OG1 3.18Å; F104-A141 WeakPolarHBondContact CE1-O 3.32Å; F104-T144 HydrophobicContact CE1-CG2 4.22Å; F104-T144 HydrophobicContact CE2-CG2 4.32Å; F104-T144 HydrophobicContact CZ-CG2 3.77Å; F104-L145 HydrophobicContact CD1-CB 4.22Å; F104-L145 HydrophobicContact CD1-CD1 4.1Å; F104-L145 HydrophobicContact CE1-CB 4Å
105	A	88.6	Confident	77.3	Confident	5 Å²	5	89.5 Å²	89.5	4%	0.041	48%	0.481	C	S	.	.	H	α-helix	trans	-58.9	-36.1	176.1	0	0	0	0	0	112.9	R101 N109 L110 L145	R101-A105 PolarHBondContact O-N 3.47Å; A105-N109 PolarHBondContact O-N 3.47Å; A105-L110 PolarHBondContact O-N 3.34Å; A105-L110 VanDerWaalsContact O-N 3.13Å; A105-L145 HydrophobicContact CB-CD2 4.29Å
106	A	88.4	Confident	75	Confident	51 Å²	51	92.6 Å²	92.6	42%	0.421	50%	0.5	S	S	.	.	H	α-helix	trans	-70.4	-38	174.8	0	0	0	0	0	112.7	N102 N103 F104	N102-A106 PolarHBondContact O-N 3.15Å; N103-A106 PolarHBondContact O-N 3.23Å; F104-A106 VanDerWaalsContact C-N 3.26Å; F104-A106 PolarHBondContact O-N 2.86Å
107	L	88.8	Confident	72.5	Confident	133 Å²	133	98.7 Å²	98.7	70%	0.696	52%	0.518	S	S	*	.	H	α-helix	trans	-71.6	-33.2	179.9	-74.2	169.4	0	0	0	113	N103 F104	N103-L107 WeakPolarHBondContact O-CB 3.09Å; N103-L107 VanDerWaalsContact O-CG 3.24Å; N103-L107 WeakPolarHBondContact O-CG 3.27Å; N103-L107 PolarHBondContact O-N 3.15Å; F104-L107 PolarHBondContact O-N 3.14Å; F104-L107 VanDerWaalsContact O-N 3.07Å
108	T	85.7	Confident	70	Confident	4 Å²	4	108 Å²	108	3%	0.025	55%	0.55	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	4.1	-177.2	55.9	0	0	0	0	113.6	F104 L110 A141	F104-T108 HydrophobicContact CD1-CG2 4.35Å; F104-T108 HydrophobicContact CD2-CG2 4.33Å; F104-T108 HydrophobicContact CE1-CG2 3.98Å; F104-T108 HydrophobicContact CE2-CG2 3.95Å; F104-T108 HydrophobicContact CZ-CG2 3.77Å; F104-T108 PolarHBondContact O-N 3.26Å; F104-T108 PolarHBondContact O-OG1 3.18Å; T108-L110 PolarHBondContact O-N 3.09Å; T108-L110 WeakPolarHBondContact OG1-CD1 3.33Å; T108-L110 WeakPolarHBondContact OG1-CG 3.47Å; T108-A141 HydrophobicContact CG2-CB 3.7Å
109	N	78.7	Confident	67.6	Low	135 Å²	135	107.9 Å²	107.9	72%	0.722	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	54.1	29	-174.4	-57.5	-61.3	0	0	0	113.6	A105 Q111	A105-N109 PolarHBondContact O-N 3.47Å; N109-Q111 VanDerWaalsContact C-N 3.32Å
110	L	68.8	Low	65.2	Low	43 Å²	43	109.6 Å²	109.6	23%	0.225	58%	0.579	C	S	.	*			trans	-84.1	-2.3	178.9	-79.4	172.9	0	0	0	113.6	A105 T108 D112 A141 S142 L145	A105-L110 PolarHBondContact O-N 3.34Å; A105-L110 VanDerWaalsContact O-N 3.13Å; T108-L110 PolarHBondContact O-N 3.09Å; T108-L110 WeakPolarHBondContact OG1-CD1 3.33Å; T108-L110 WeakPolarHBondContact OG1-CG 3.47Å; L110-D112 PolarHBondContact O-N 3.44Å; L110-A141 HydrophobicContact CD1-CB 3.89Å; L110-A141 WeakPolarHBondContact CD1-O 3.35Å; L110-S142 WeakPolarHBondContact CD2-OG 3.24Å; L110-L145 HydrophobicContact CB-CD2 4.11Å; L110-L145 HydrophobicContact CD1-CB 4.2Å; L110-L145 HydrophobicContact CD1-CD2 3.87Å
111	Q	57.5	Low	62.7	Low	135 Å²	135	114.2 Å²	114.2	63%	0.631	60%	0.598	S	S	*	*	S	Bend	trans	-62.3	122	172.9	-79.9	-175.8	-18	0	0	111	N109 R113	N109-Q111 VanDerWaalsContact C-N 3.32Å; Q111-R113 PolarHBondContact O-N 3.42Å; Q111-R113 VanDerWaalsContact O-N 3.09Å
112	D	49.4	Very low	60.2	Low	160 Å²	160	115.6 Å²	115.6	86%	0.856	62%	0.618	S	S	*	*			trans	-11.9	96.6	176.6	-78.7	-44.7	0	0	0	115	L110 A114	L110-D112 PolarHBondContact O-N 3.44Å; D112-A114 PolarHBondContact O-N 3.28Å
113	R	39.8	Very low	57.9	Low	245 Å²	245	118.1 Å²	118.1	93%	0.925	63%	0.632	S	S	*	*			trans	-71	81.2	159.6	-92.1	-169.1	175.4	169.8	3.5	108.7	Q111	Q111-R113 PolarHBondContact O-N 3.42Å; Q111-R113 VanDerWaalsContact O-N 3.09Å
114	A	34.1	Very low	55.5	Low	79 Å²	79	122.5 Å²	122.5	65%	0.653	65%	0.649	S	S	*	*			trans	-55.4	133.5	161.8	0	0	0	0	0	109.4	D112 S116	D112-A114 PolarHBondContact O-N 3.28Å; A114-S116 PolarHBondContact O-N 3.3Å
115	P	37.4	Very low	53	Low	125 Å²	125	125.7 Å²	125.7	81%	0.812	68%	0.675	S	S	*	*			trans	-77.9	86.4	-171.6	30.7	-33.1	0	0	0	110.5	K117	P115-K117 PolarHBondContact O-N 3.29Å
116	S	36.3	Very low	50.9	Low	120 Å²	120	129.7 Å²	129.7	84%	0.839	70%	0.703	S	S	*	*			trans	-80.4	102.1	174.2	-163.4	0	0	0	0	110.8	A114 R118	A114-S116 PolarHBondContact O-N 3.3Å; S116-R118 PolarHBondContact O-N 3.14Å
117	K	37.1	Very low	48.6	Very low	193 Å²	193	135 Å²	135	84%	0.839	72%	0.722	S	S	*	*			trans	-58.5	115.4	168.8	-71.8	175.3	176.7	171.7	0	110.8	P115	P115-K117 PolarHBondContact O-N 3.29Å
118	R	39.3	Very low	46.4	Very low	248 Å²	248	133.6 Å²	133.6	94%	0.936	72%	0.716	S	S	*	*			trans	-179.3	108.1	141.9	-99.7	167	-153.9	-176.3	7.6	111.1	S116	S116-R118 PolarHBondContact O-N 3.14Å
119	S	38.8	Very low	44.5	Very low	117 Å²	117	143.6 Å²	143.6	82%	0.818	76%	0.759	S	S	*	*			trans	-97.2	166.8	155.5	-33.5	0	0	0	0	107.7
120	P	40.9	Very low	43.2	Very low	112 Å²	112	139.8 Å²	139.8	73%	0.727	75%	0.746	S	S	*	*			cis	-151.5	175.8	43.4	40.1	-17.2	0	0	0	118.6
121	M	41.1	Very low	42.4	Very low	179 Å²	179	141.3 Å²	141.3	88%	0.882	76%	0.757	S	S	*	*			trans	74.1	107	157.5	-76.4	170.1	69.8	0	0	118.9
122	C	38.6	Very low	42.1	Very low	105 Å²	105	141.5 Å²	141.5	71%	0.709	76%	0.761	S	S	*	*				165	134.7	91.9	-160.6	0	0	0	0	111.5
123	N	41.2	Very low	43.2	Very low	143 Å²	143	138.8 Å²	138.8	77%	0.765	75%	0.751	S	S	*	*			trans	85.5	100.5	159.1	-64.8	-17.2	0	0	0	122.1
124	Q	43	Very low	45.1	Very low	185 Å²	185	133.2 Å²	133.2	86%	0.864	74%	0.735	S	S	*	*			trans	44.1	125.7	141.9	-71.6	-168.7	-59.3	0	0	121.4
125	P	39.8	Very low	47.2	Very low	123 Å²	123	135.8 Å²	135.8	80%	0.799	73%	0.734	S	S	*	*			trans	-84.9	121.3	167.5	32.5	-26.7	0	0	0	110.9	I127	P125-I127 PolarHBondContact O-N 2.74Å
126	S	44.5	Very low	49.4	Very low	88 Å²	88	132.7 Å²	132.7	62%	0.615	72%	0.719	S	S	*	*			trans	-79.7	112.9	157.8	67.3	0	0	0	0	108.3	N128	S126-N128 PolarHBondContact O-N 2.74Å; S126-N128 PolarHBondContact OG-ND2 3.13Å
127	I	40.6	Very low	51.8	Low	162 Å²	162	132.8 Å²	132.8	83%	0.831	70%	0.701	S	S	*	*			trans	-57.3	100.2	169.9	-62	165.6	0	0	0	107.9	P125	P125-I127 PolarHBondContact O-N 2.74Å
128	N	42.2	Very low	54.2	Low	104 Å²	104	126.8 Å²	126.8	56%	0.556	68%	0.676	S	S	*	*			trans	-110.6	126.8	172.4	-75.4	-20.5	0	0	0	107.8	S126 A130 T131	S126-N128 PolarHBondContact O-N 2.74Å; S126-N128 PolarHBondContact OG-ND2 3.13Å; N128-A130 PolarHBondContact O-N 3.23Å; N128-T131 PolarHBondContact O-OG1 2.85Å
129	K	46	Very low	56.4	Low	214 Å²	214	121.2 Å²	121.2	93%	0.93	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	29.1	179.6	-68.5	175.7	170.4	-179.7	0	114.4
130	A	50.1	Low	58.7	Low	56 Å²	56	120.6 Å²	120.6	46%	0.463	65%	0.646	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.6	-8.4	176.8	0	0	0	0	0	113.1	N128 I132 T133 E134	N128-A130 PolarHBondContact O-N 3.23Å; A130-I132 PolarHBondContact O-N 3.28Å; A130-T133 PolarHBondContact O-N 3.33Å; A130-T133 PolarHBondContact O-OG1 3.49Å; A130-E134 PolarHBondContact O-N 3.49Å
131	T	52.6	Low	61.1	Low	74 Å²	74	115.5 Å²	115.5	45%	0.454	61%	0.613	S	S	.	*	H	α-helix	trans	-70.3	-32.6	-175	-23.2	0	0	0	0	113.3	N128 T133 E134 E135	N128-T131 PolarHBondContact O-OG1 2.85Å; T131-T133 VanDerWaalsContact C-N 3.27Å; T131-T133 PolarHBondContact O-N 3.09Å; T131-E134 PolarHBondContact O-N 3.14Å; T131-E134 VanDerWaalsContact O-N 3.15Å; T131-E135 PolarHBondContact O-N 2.73Å
132	I	52.3	Low	63.3	Low	140 Å²	140	108.9 Å²	108.9	72%	0.718	58%	0.584	S	S	*	*	H	α-helix	trans	-66.8	-30.9	-179.7	-61.6	172.7	0	0	0	111.3	A130 A136	A130-I132 PolarHBondContact O-N 3.28Å; I132-A136 WeakPolarHBondContact O-CB 3.44Å; I132-A136 PolarHBondContact O-N 3.33Å
133	T	71.7	Confident	65.7	Low	102 Å²	102	107.8 Å²	107.8	63%	0.626	57%	0.569	S	S	*	*	H	α-helix	trans	-76.7	-29.3	174.7	41.7	0	0	0	0	113	A130 T131 Y137	A130-T133 PolarHBondContact O-N 3.33Å; A130-T133 PolarHBondContact O-OG1 3.49Å; T131-T133 VanDerWaalsContact C-N 3.27Å; T131-T133 PolarHBondContact O-N 3.09Å; T133-Y137 VanDerWaalsContact O-CB 3.26Å; T133-Y137 WeakPolarHBondContact O-CB 3.44Å; T133-Y137 PolarHBondContact O-N 3.04Å
134	E	78.6	Confident	68.1	Low	129 Å²	129	103.6 Å²	103.6	60%	0.603	55%	0.548	S	S	*	.	H	α-helix	trans	-77.6	-40.8	179.4	-166.7	174.6	-176.5	0	0	111.5	A130 T131 Y137 Q138	A130-E134 PolarHBondContact O-N 3.49Å; T131-E134 PolarHBondContact O-N 3.14Å; T131-E134 VanDerWaalsContact O-N 3.15Å; E134-Y137 PolarHBondContact O-N 3.12Å; E134-Q138 WeakPolarHBondContact O-CB 3.36Å; E134-Q138 PolarHBondContact O-N 3.11Å
135	E	79.4	Confident	70.4	Confident	133 Å²	133	95.7 Å²	95.7	62%	0.621	51%	0.512	S	S	*	.	H	α-helix	trans	-63.9	-43.4	173.9	-71.1	175	-175.1	0	0	111.9	T131 Y137 Q138 K139	T131-E135 PolarHBondContact O-N 2.73Å; E135-Y137 VanDerWaalsContact C-N 3.35Å; E135-Q138 PolarHBondContact O-N 3.01Å; E135-K139 WeakPolarHBondContact O-CB 3.22Å; E135-K139 PolarHBondContact O-N 2.77Å
136	A	83.1	Confident	72.7	Confident	60 Å²	60	96.3 Å²	96.3	50%	0.496	50%	0.504	S	S	.	.	H	α-helix	trans	-63.7	-39.9	174.9	0	0	0	0	0	112.2	I132 L140	I132-A136 WeakPolarHBondContact O-CB 3.44Å; I132-A136 PolarHBondContact O-N 3.33Å; A136-L140 WeakPolarHBondContact O-CB 3.37Å; A136-L140 PolarHBondContact O-N 2.95Å
137	Y	86.7	Confident	74.9	Confident	121 Å²	121	98.5 Å²	98.5	48%	0.475	51%	0.505	S	S	.	.	H	α-helix	trans	-62.8	-45.4	174.1	173.5	-95	0	0	0	111.8	T133 E134 E135 L140 A141	T133-Y137 VanDerWaalsContact O-CB 3.26Å; T133-Y137 WeakPolarHBondContact O-CB 3.44Å; T133-Y137 PolarHBondContact O-N 3.04Å; E134-Y137 PolarHBondContact O-N 3.12Å; E135-Y137 VanDerWaalsContact C-N 3.35Å; Y137-L140 PolarHBondContact O-N 3.35Å; Y137-A141 VanDerWaalsContact O-CB 3.31Å; Y137-A141 WeakPolarHBondContact O-CB 3.37Å; Y137-A141 PolarHBondContact O-N 2.95Å
138	Q	87.2	Confident	77.3	Confident	67 Å²	67	92.5 Å²	92.5	31%	0.313	47%	0.474	S	S	.	.	H	α-helix	trans	-65.6	-41.3	-179.8	-164.4	67.2	42.8	0	0	111.5	E134 E135 A141 S142	E134-Q138 WeakPolarHBondContact O-CB 3.36Å; E134-Q138 PolarHBondContact O-N 3.11Å; E135-Q138 PolarHBondContact O-N 3.01Å; Q138-A141 PolarHBondContact O-N 3.49Å; Q138-S142 PolarHBondContact O-N 2.91Å; Q138-S142 PolarHBondContact O-OG 3.32Å
139	K	86.4	Confident	79.6	Confident	131 Å²	131	90.1 Å²	90.1	57%	0.57	46%	0.461	S	S	*	.	H	α-helix	trans	-60.3	-50.9	175	-178.5	176.6	170.5	-179.7	0	111.1	E135 A141 S142 E143	E135-K139 WeakPolarHBondContact O-CB 3.22Å; E135-K139 PolarHBondContact O-N 2.77Å; K139-A141 VanDerWaalsContact C-N 3.29Å; K139-A141 PolarHBondContact O-N 3.3Å; K139-S142 PolarHBondContact O-N 3.07Å; K139-E143 WeakPolarHBondContact CE-OE1 3.26Å; K139-E143 HydrophobicContact CG-CG 4.44Å; K139-E143 IonicContact NZ-OE1 4Å; K139-E143 WeakPolarHBondContact O-CG 3.44Å; K139-E143 PolarHBondContact O-N 2.8Å
140	L	87.9	Confident	81.7	Confident	105 Å²	105	87.5 Å²	87.5	55%	0.55	45%	0.446	S	S	.	.	H	α-helix	trans	-59.1	-41.5	177.3	-177	66.7	0	0	0	111.8	A136 Y137 T144	A136-L140 WeakPolarHBondContact O-CB 3.37Å; A136-L140 PolarHBondContact O-N 2.95Å; Y137-L140 PolarHBondContact O-N 3.35Å; L140-T144 WeakPolarHBondContact O-CB 3.24Å; L140-T144 PolarHBondContact O-N 3.33Å; L140-T144 PolarHBondContact O-OG1 3.43Å
141	A	90.4	Very high	83.5	Confident	5 Å²	5	87.5 Å²	87.5	4%	0.041	44%	0.442	C	S	.	.	H	α-helix	trans	-63.8	-42.4	177.3	0	0	0	0	0	112.3	F104 T108 L110 Y137 Q138 K139 L145	F104-A141 WeakPolarHBondContact CE1-O 3.32Å; T108-A141 HydrophobicContact CG2-CB 3.7Å; L110-A141 HydrophobicContact CD1-CB 3.89Å; L110-A141 WeakPolarHBondContact CD1-O 3.35Å; Y137-A141 VanDerWaalsContact O-CB 3.31Å; Y137-A141 WeakPolarHBondContact O-CB 3.37Å; Y137-A141 PolarHBondContact O-N 2.95Å; Q138-A141 PolarHBondContact O-N 3.49Å; K139-A141 VanDerWaalsContact C-N 3.29Å; K139-A141 PolarHBondContact O-N 3.3Å; A141-L145 WeakPolarHBondContact O-CB 3.32Å; A141-L145 PolarHBondContact O-N 2.85Å; A141-L145 VanDerWaalsContact O-N 3.07Å
142	S	87	Confident	85.2	Confident	39 Å²	39	84.6 Å²	84.6	27%	0.273	42%	0.423	S	S	.	.	H	α-helix	trans	-65	-49.2	176	-69.7	0	0	0	0	111.6	L110 Q138 K139 T144 L145 E146	L110-S142 WeakPolarHBondContact CD2-OG 3.24Å; Q138-S142 PolarHBondContact O-N 2.91Å; Q138-S142 PolarHBondContact O-OG 3.32Å; K139-S142 PolarHBondContact O-N 3.07Å; S142-T144 VanDerWaalsContact C-N 3.32Å; S142-T144 PolarHBondContact O-N 3.26Å; S142-L145 PolarHBondContact O-N 3.43Å; S142-L145 VanDerWaalsContact O-N 3.11Å; S142-E146 WeakPolarHBondContact O-CG 3.38Å; S142-E146 PolarHBondContact O-N 2.92Å
143	E	89.8	Confident	86.8	Confident	83 Å²	83	82.2 Å²	82.2	39%	0.388	41%	0.412	S	S	.	.	H	α-helix	trans	-58.4	-44.6	178.6	-71.8	171.5	164	0	0	111.1	K139 L145 E146 E147	K139-E143 WeakPolarHBondContact CE-OE1 3.26Å; K139-E143 HydrophobicContact CG-CG 4.44Å; K139-E143 IonicContact NZ-OE1 4Å; K139-E143 WeakPolarHBondContact O-CG 3.44Å; K139-E143 PolarHBondContact O-N 2.8Å; E143-L145 VanDerWaalsContact C-N 3.33Å; E143-L145 PolarHBondContact O-N 2.98Å; E143-E146 PolarHBondContact O-N 2.65Å; E143-E147 WeakPolarHBondContact O-CG 3.34Å; E143-E147 PolarHBondContact O-N 3.32Å
144	T	90.8	Very high	87.3	Confident	54 Å²	54	80.8 Å²	80.8	33%	0.331	40%	0.398	S	S	.	.	H	α-helix	trans	-64.4	-36.5	177.4	-51.7	0	0	0	0	112.2	F104 L140 S142 L148	F104-T144 HydrophobicContact CE1-CG2 4.22Å; F104-T144 HydrophobicContact CE2-CG2 4.32Å; F104-T144 HydrophobicContact CZ-CG2 3.77Å; L140-T144 WeakPolarHBondContact O-CB 3.24Å; L140-T144 PolarHBondContact O-N 3.33Å; L140-T144 PolarHBondContact O-OG1 3.43Å; S142-T144 VanDerWaalsContact C-N 3.32Å; S142-T144 PolarHBondContact O-N 3.26Å; T144-L148 WeakPolarHBondContact O-CB 3.38Å; T144-L148 PolarHBondContact O-N 2.93Å
145	L	91.2	Very high	87.5	Confident	20 Å²	20	77 Å²	77	11%	0.105	38%	0.382	C	S	.	.	H	α-helix	trans	-71	-40.3	178.3	-177.4	61.5	0	0	0	111.2	R101 F104 A105 L110 A141 S142 E143 L148 D149	R101-L145 HydrophobicContact CG-CD1 3.91Å; F104-L145 HydrophobicContact CD1-CB 4.22Å; F104-L145 HydrophobicContact CD1-CD1 4.1Å; F104-L145 HydrophobicContact CE1-CB 4Å; A105-L145 HydrophobicContact CB-CD2 4.29Å; L110-L145 HydrophobicContact CB-CD2 4.11Å; L110-L145 HydrophobicContact CD1-CB 4.2Å; L110-L145 HydrophobicContact CD1-CD2 3.87Å; A141-L145 WeakPolarHBondContact O-CB 3.32Å; A141-L145 PolarHBondContact O-N 2.85Å; A141-L145 VanDerWaalsContact O-N 3.07Å; S142-L145 PolarHBondContact O-N 3.43Å; S142-L145 VanDerWaalsContact O-N 3.11Å; E143-L145 VanDerWaalsContact C-N 3.33Å; E143-L145 PolarHBondContact O-N 2.98Å; L145-L148 PolarHBondContact O-N 3.31Å; L145-D149 WeakPolarHBondContact O-CB 3.48Å; L145-D149 PolarHBondContact O-N 3.36Å
146	E	88.5	Confident	87.4	Confident	135 Å²	135	73.9 Å²	73.9	63%	0.631	37%	0.367	S	S	*	.	H	α-helix	trans	-63.1	-44.9	175.3	-74.1	174.8	-170.2	0	0	111.5	S142 E143 L148 D149 W150	S142-E146 WeakPolarHBondContact O-CG 3.38Å; S142-E146 PolarHBondContact O-N 2.92Å; E143-E146 PolarHBondContact O-N 2.65Å; E146-L148 VanDerWaalsContact C-N 3.33Å; E146-L148 PolarHBondContact O-N 3.02Å; E146-D149 PolarHBondContact O-N 3.29Å; E146-W150 WeakPolarHBondContact O-CB 3.47Å; E146-W150 PolarHBondContact O-N 3.03Å
147	E	89.8	Confident	87.1	Confident	135 Å²	135	74.8 Å²	74.8	63%	0.631	37%	0.367	S	S	*	.	H	α-helix	trans	-61.1	-40.5	173.8	-75.4	-172.4	168.6	0	0	112.3	E143 C151	E143-E147 WeakPolarHBondContact O-CG 3.34Å; E143-E147 PolarHBondContact O-N 3.32Å; E147-C151 WeakPolarHBondContact O-CB 3.43Å; E147-C151 PolarHBondContact O-N 2.96Å; E147-C151 PolarHBondContact O-SG 3.24Å
148	L	92.1	Very high	86.3	Confident	36 Å²	36	73.8 Å²	73.8	19%	0.188	37%	0.369	C	S	.	.	H	α-helix	trans	-68.1	-40.8	178.1	-179.6	60.8	0	0	0	111.9	R101 T144 L145 E146 C151 L152	R101-L148 HydrophobicContact CB-CD2 3.67Å; R101-L148 HydrophobicContact CB-CG 4.3Å; R101-L148 HydrophobicContact CG-CD2 3.94Å; R101-L148 HydrophobicContact CG-CG 4.31Å; T144-L148 WeakPolarHBondContact O-CB 3.38Å; T144-L148 PolarHBondContact O-N 2.93Å; L145-L148 PolarHBondContact O-N 3.31Å; E146-L148 VanDerWaalsContact C-N 3.33Å; E146-L148 PolarHBondContact O-N 3.02Å; L148-C151 PolarHBondContact O-N 3.14Å; L148-L152 WeakPolarHBondContact O-CG 3.07Å; L148-L152 PolarHBondContact O-N 2.96Å
149	D	90.8	Very high	84.9	Confident	53 Å²	53	76 Å²	76	28%	0.283	38%	0.379	S	S	.	.	H	α-helix	trans	-65.6	-41.8	176.5	-79	-17.8	0	0	0	110.8	R101 L145 E146 L152 D153	R101-D149 WeakPolarHBondContact CG-OD1 3.42Å; R101-D149 IonicContact CZ-OD1 3.34Å; R101-D149 IonicContact CZ-OD2 3.87Å; R101-D149 IonicContact NE-OD1 3.98Å; R101-D149 PolarHBondContact NE-OD1 2.73Å; R101-D149 IonicContact NE-OD2 3.73Å; R101-D149 PolarHBondContact NE-OD2 2.93Å; R101-D149 IonicContact NH2-OD1 3.86Å; R101-D149 PolarHBondContact NH2-OD1 2.86Å; R101-D149 IonicContact NH2-OD2 2.92Å; R101-D149 PolarHBondContact NH2-OD2 3.14Å; L145-D149 WeakPolarHBondContact O-CB 3.48Å; L145-D149 PolarHBondContact O-N 3.36Å; E146-D149 PolarHBondContact O-N 3.29Å; D149-L152 PolarHBondContact O-N 3.3Å; D149-D153 PolarHBondContact O-N 2.95Å
150	W	89.4	Confident	83.7	Confident	160 Å²	160	74.3 Å²	74.3	61%	0.606	38%	0.38	S	S	*	.	H	α-helix	trans	-60.6	-46.5	172	179.5	86.7	0	0	0	111.9	E146 L152 D153 Q154	E146-W150 WeakPolarHBondContact O-CB 3.47Å; E146-W150 PolarHBondContact O-N 3.03Å; W150-L152 VanDerWaalsContact C-N 3.29Å; W150-L152 PolarHBondContact O-N 3.5Å; W150-D153 PolarHBondContact O-N 2.98Å; W150-Q154 HydrophobicContact CD2-CG 3.93Å; W150-Q154 HydrophobicContact CE3-CG 4.17Å; W150-Q154 HydrophobicContact CH2-CG 3.91Å; W150-Q154 HydrophobicContact CZ2-CG 3.64Å; W150-Q154 HydrophobicContact CZ3-CG 4.15Å; W150-Q154 WeakPolarHBondContact O-CG 3.34Å; W150-Q154 PolarHBondContact O-N 3.12Å
151	C	88.6	Confident	82.6	Confident	55 Å²	55	79.5 Å²	79.5	37%	0.372	39%	0.393	S	S	.	.	H	α-helix	trans	-58.9	-39.7	176	-72.7	0	0	0	0	112.5	E147 L148 Q154 L155	E147-C151 WeakPolarHBondContact O-CB 3.43Å; E147-C151 PolarHBondContact O-N 2.96Å; E147-C151 PolarHBondContact O-SG 3.24Å; L148-C151 PolarHBondContact O-N 3.14Å; C151-Q154 PolarHBondContact O-N 3.25Å; C151-L155 WeakPolarHBondContact O-CB 3.46Å; C151-L155 VanDerWaalsContact O-CG 3.29Å; C151-L155 WeakPolarHBondContact O-CG 3.44Å; C151-L155 PolarHBondContact O-N 3.21Å
152	L	88.1	Confident	81.7	Confident	14 Å²	14	86.4 Å²	86.4	7%	0.073	42%	0.424	C	S	.	.	H	α-helix	trans	-65.3	-42.5	177.4	-78	172.1	0	0	0	111.6	L94 L97 R98 R101 L148 D149 W150 L155 E156	L94-L152 HydrophobicContact CD2-CD2 4.24Å; L97-L152 HydrophobicContact CB-CD2 3.68Å; L97-L152 HydrophobicContact CD1-CD2 4.42Å; R98-L152 HydrophobicContact CG-CD1 4.4Å; R98-L152 HydrophobicContact CG-CD2 4.28Å; R101-L152 HydrophobicContact CB-CD1 4.02Å; R101-L152 HydrophobicContact CG-CD1 4.05Å; L148-L152 WeakPolarHBondContact O-CG 3.07Å; L148-L152 PolarHBondContact O-N 2.96Å; D149-L152 PolarHBondContact O-N 3.3Å; W150-L152 VanDerWaalsContact C-N 3.29Å; W150-L152 PolarHBondContact O-N 3.5Å; L152-L155 PolarHBondContact O-N 2.76Å; L152-E156 WeakPolarHBondContact O-CG 3.47Å; L152-E156 PolarHBondContact O-N 2.89Å
153	D	85.5	Confident	81.1	Confident	89 Å²	89	86.8 Å²	86.8	48%	0.476	43%	0.426	S	S	.	.	H	α-helix	trans	-61.9	-45.2	174.6	-176.1	69	0	0	0	111.7	D149 W150 L155 E156 T157	D149-D153 PolarHBondContact O-N 2.95Å; W150-D153 PolarHBondContact O-N 2.98Å; D153-L155 PolarHBondContact O-N 2.73Å; D153-E156 PolarHBondContact O-N 2.89Å; D153-E156 VanDerWaalsContact O-N 3.16Å; D153-T157 WeakPolarHBondContact O-CG2 3.3Å; D153-T157 PolarHBondContact O-N 3.03Å; D153-T157 PolarHBondContact O-OG1 3.23Å
154	Q	81.4	Confident	80.4	Confident	73 Å²	73	83.8 Å²	83.8	34%	0.341	41%	0.414	S	S	.	.	H	α-helix	trans	-61.4	-41.9	175.1	-66	-51.2	-64.8	0	0	112.4	W150 C151 E156 T157 L158	W150-Q154 HydrophobicContact CD2-CG 3.93Å; W150-Q154 HydrophobicContact CE3-CG 4.17Å; W150-Q154 HydrophobicContact CH2-CG 3.91Å; W150-Q154 HydrophobicContact CZ2-CG 3.64Å; W150-Q154 HydrophobicContact CZ3-CG 4.15Å; W150-Q154 WeakPolarHBondContact O-CG 3.34Å; W150-Q154 PolarHBondContact O-N 3.12Å; C151-Q154 PolarHBondContact O-N 3.25Å; Q154-E156 VanDerWaalsContact C-N 3.32Å; Q154-E156 PolarHBondContact O-N 3.28Å; Q154-T157 PolarHBondContact O-N 3.46Å; Q154-T157 PolarHBondContact O-OG1 3.02Å; Q154-L158 VanDerWaalsContact O-CG 3.28Å; Q154-L158 WeakPolarHBondContact O-CG 3.4Å; Q154-L158 PolarHBondContact O-N 2.93Å
155	L	82.6	Confident	79.8	Confident	48 Å²	48	84.1 Å²	84.1	25%	0.251	42%	0.418	S	S	.	.	H	α-helix	trans	-63.2	-39.7	175.1	-72.9	169.5	0	0	0	111.4	F90 L94 L97 C151 L152 D153 L158	F90-L155 HydrophobicContact CE2-CD2 4.16Å; F90-L155 HydrophobicContact CZ-CB 4.19Å; F90-L155 HydrophobicContact CZ-CD2 4.48Å; F90-L155 VanDerWaalsContact CZ-O 3.22Å; F90-L155 WeakPolarHBondContact CZ-O 3.1Å; L94-L155 HydrophobicContact CD2-CB 3.78Å; L94-L155 HydrophobicContact CD2-CD1 4.27Å; L97-L155 HydrophobicContact CD1-CD1 3.63Å; C151-L155 WeakPolarHBondContact O-CB 3.46Å; C151-L155 VanDerWaalsContact O-CG 3.29Å; C151-L155 WeakPolarHBondContact O-CG 3.44Å; C151-L155 PolarHBondContact O-N 3.21Å; L152-L155 PolarHBondContact O-N 2.76Å; D153-L155 PolarHBondContact O-N 2.73Å; L155-L158 PolarHBondContact O-N 3.36Å
156	E	79	Confident	79.3	Confident	69 Å²	69	88.8 Å²	88.8	32%	0.322	44%	0.439	S	S	.	.	H	α-helix	trans	-67.6	-37.2	178	-73.3	178.3	-153.9	0	0	112.7	L94 R98 L152 D153 Q154 Q159	L94-E156 HydrophobicContact CD1-CG 4.33Å; L94-E156 HydrophobicContact CD2-CG 4.35Å; R98-E156 IonicContact CZ-OE1 3.85Å; R98-E156 VanDerWaalsContact CZ-OE1 3.29Å; R98-E156 IonicContact NE-OE1 2.85Å; R98-E156 PolarHBondContact NE-OE1 2.99Å; R98-E156 IonicContact NH2-OE1 2.71Å; R98-E156 PolarHBondContact NH2-OE1 2.83Å; R98-E156 IonicContact NH2-OE2 2.84Å; R98-E156 PolarHBondContact NH2-OE2 2.93Å; L152-E156 WeakPolarHBondContact O-CG 3.47Å; L152-E156 PolarHBondContact O-N 2.89Å; D153-E156 PolarHBondContact O-N 2.89Å; D153-E156 VanDerWaalsContact O-N 3.16Å; Q154-E156 VanDerWaalsContact C-N 3.32Å; Q154-E156 PolarHBondContact O-N 3.28Å; E156-Q159 WeakPolarHBondContact O-CB 3.34Å; E156-Q159 PolarHBondContact O-N 2.65Å
157	T	76.1	Confident	78.8	Confident	78 Å²	78	86.8 Å²	86.8	48%	0.479	43%	0.431	S	S	.	.	H	α-helix	trans	-70.3	-30.6	174.6	60.4	0	0	0	0	112.8	D153 Q154 Q159	D153-T157 WeakPolarHBondContact O-CG2 3.3Å; D153-T157 PolarHBondContact O-N 3.03Å; D153-T157 PolarHBondContact O-OG1 3.23Å; Q154-T157 PolarHBondContact O-N 3.46Å; Q154-T157 PolarHBondContact O-OG1 3.02Å; T157-Q159 PolarHBondContact O-N 2.72Å; T157-Q159 VanDerWaalsContact O-N 3.1Å
158	L	69.7	Low	78.4	Confident	100 Å²	100	80.8 Å²	80.8	52%	0.524	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-7.1	174.4	-76.6	172.7	0	0	0	114.2	Q154 L155 T160 S163	Q154-L158 VanDerWaalsContact O-CG 3.28Å; Q154-L158 WeakPolarHBondContact O-CG 3.4Å; Q154-L158 PolarHBondContact O-N 2.93Å; L155-L158 PolarHBondContact O-N 3.36Å; L158-T160 PolarHBondContact O-N 3.18Å; L158-T160 PolarHBondContact O-OG1 2.99Å; L158-S163 PolarHBondContact O-OG 3.48Å
159	Q	58.8	Low	78	Confident	113 Å²	113	81.2 Å²	81.2	53%	0.528	41%	0.411	S	S	.	.			trans	-63.7	11	-178.3	-162.5	172.8	-27.5	0	0	114.9	F90 E156 T157 R161 V164	F90-Q159 HydrophobicContact CE1-CG 4.48Å; E156-Q159 WeakPolarHBondContact O-CB 3.34Å; E156-Q159 PolarHBondContact O-N 2.65Å; T157-Q159 PolarHBondContact O-N 2.72Å; T157-Q159 VanDerWaalsContact O-N 3.1Å; Q159-R161 PolarHBondContact O-N 3.37Å; Q159-V164 HydrophobicContact CG-CG2 4.26Å
160	T	60.5	Low	77.6	Confident	96 Å²	96	81.8 Å²	81.8	59%	0.589	41%	0.414	S	S	*	.			trans	-50.6	136.3	169.9	67.9	0	0	0	0	111.1	L158 H162 S163	L158-T160 PolarHBondContact O-N 3.18Å; L158-T160 PolarHBondContact O-OG1 2.99Å; T160-H162 PolarHBondContact O-N 3.47Å; T160-S163 PolarHBondContact O-OG 3.23Å
161	R	64.6	Low	77.2	Confident	215 Å²	215	77.1 Å²	77.1	81%	0.811	40%	0.398	S	S	*	.	H	α-helix	trans	-57.6	-21.9	-152.5	-67.7	178.9	177.1	174	-0.6	115.9	Q159 S165	Q159-R161 PolarHBondContact O-N 3.37Å; R161-S165 WeakPolarHBondContact O-CB 3.41Å; R161-S165 PolarHBondContact O-OG 3.04Å
162	H	71.4	Confident	77	Confident	150 Å²	150	78.8 Å²	78.8	69%	0.694	40%	0.399	S	S	*	.	H	α-helix	trans	-84.8	-51.5	-171.6	-67.6	-64.4	0	0	0	113.1	T160 V164 S165 E166	T160-H162 PolarHBondContact O-N 3.47Å; H162-V164 PolarHBondContact O-N 2.82Å; H162-S165 PolarHBondContact O-N 3.01Å; H162-S165 PolarHBondContact O-OG 3.2Å; H162-E166 WeakPolarHBondContact O-CB 2.97Å; H162-E166 PolarHBondContact O-N 3Å
163	S	74	Confident	76.9	Confident	46 Å²	46	80.5 Å²	80.5	32%	0.322	41%	0.406	S	S	.	.	H	α-helix	trans	-60.9	-47.5	-176.4	59.6	0	0	0	0	112.3	L158 T160 S165 E166 M167	L158-S163 PolarHBondContact O-OG 3.48Å; T160-S163 PolarHBondContact O-OG 3.23Å; S163-S165 PolarHBondContact O-N 2.89Å; S163-E166 PolarHBondContact O-N 3.31Å; S163-M167 WeakPolarHBondContact O-CG 3.36Å; S163-M167 PolarHBondContact O-N 3.23Å
164	V	75.5	Confident	76.8	Confident	21 Å²	21	85.6 Å²	85.6	13%	0.127	42%	0.418	C	S	.	.	H	α-helix	trans	-66.4	-40	178.2	178.2	0	0	0	0	111.5	F90 Q159 H162 E166 M167 A168	F90-V164 HydrophobicContact CB-CG1 3.92Å; F90-V164 HydrophobicContact CB-CG2 4.46Å; F90-V164 HydrophobicContact CD1-CG1 4.03Å; F90-V164 HydrophobicContact CD1-CG2 3.67Å; F90-V164 HydrophobicContact CD2-CG2 4.47Å; F90-V164 HydrophobicContact CE1-CG2 3.99Å; F90-V164 HydrophobicContact CG-CG1 4.2Å; F90-V164 HydrophobicContact CG-CG2 3.94Å; Q159-V164 HydrophobicContact CG-CG2 4.26Å; H162-V164 PolarHBondContact O-N 2.82Å; V164-E166 VanDerWaalsContact C-N 3.29Å; V164-E166 PolarHBondContact O-N 3.46Å; V164-M167 PolarHBondContact O-N 2.91Å; V164-A168 PolarHBondContact O-N 3.42Å; V164-A168 VanDerWaalsContact O-N 3.09Å
165	S	78.7	Confident	77	Confident	61 Å²	61	86.3 Å²	86.3	43%	0.427	42%	0.422	S	S	.	.	H	α-helix	trans	-65	-35.4	176.5	76.2	0	0	0	0	112	R161 H162 S163 A168 S169	R161-S165 WeakPolarHBondContact O-CB 3.41Å; R161-S165 PolarHBondContact O-OG 3.04Å; H162-S165 PolarHBondContact O-N 3.01Å; H162-S165 PolarHBondContact O-OG 3.2Å; S163-S165 PolarHBondContact O-N 2.89Å; S165-A168 PolarHBondContact O-N 2.8Å; S165-S169 WeakPolarHBondContact O-CB 3.27Å; S165-S169 PolarHBondContact O-N 2.8Å
166	E	80.7	Confident	77.3	Confident	118 Å²	118	86.6 Å²	86.6	55%	0.551	42%	0.424	S	S	*	.	H	α-helix	trans	-68.2	-44.8	177.5	-179.8	171	-165.6	0	0	111.1	H162 S163 V164 A168 S169 N170	H162-E166 WeakPolarHBondContact O-CB 2.97Å; H162-E166 PolarHBondContact O-N 3Å; S163-E166 PolarHBondContact O-N 3.31Å; V164-E166 VanDerWaalsContact C-N 3.29Å; V164-E166 PolarHBondContact O-N 3.46Å; E166-A168 VanDerWaalsContact C-N 3.29Å; E166-A168 PolarHBondContact O-N 3.48Å; E166-S169 PolarHBondContact O-N 3.17Å; E166-N170 WeakPolarHBondContact CG-ND2 3.42Å; E166-N170 VanDerWaalsContact O-CB 3.28Å; E166-N170 WeakPolarHBondContact O-CB 3.49Å; E166-N170 VanDerWaalsContact O-CG 3.31Å; E166-N170 PolarHBondContact O-N 3.04Å; E166-N170 PolarHBondContact O-ND2 3.09Å
167	M	77.1	Confident	77.6	Confident	92 Å²	92	86.6 Å²	86.6	45%	0.453	43%	0.426	S	S	.	.	H	α-helix	trans	-58.1	-43.5	174.3	-65	-175.6	-164.3	0	0	111.6	P89 F90 S163 V164 K171	P89-M167 HydrophobicContact CG-CB 3.98Å; P89-M167 WeakPolarHBondContact CG-O 3.46Å; F90-M167 HydrophobicContact CB-SD 4.33Å; F90-M167 HydrophobicContact CD2-SD 4.1Å; S163-M167 WeakPolarHBondContact O-CG 3.36Å; S163-M167 PolarHBondContact O-N 3.23Å; V164-M167 PolarHBondContact O-N 2.91Å; M167-K171 PolarHBondContact O-N 3.04Å
168	A	82.7	Confident	78.2	Confident	9 Å²	9	92.7 Å²	92.7	7%	0.074	44%	0.441	C	S	.	.	H	α-helix	trans	-65.7	-47.8	176.8	0	0	0	0	0	112.1	T88 V164 S165 E166 N170 K171 F172	T88-A168 HydrophobicContact CG2-CB 3.96Å; V164-A168 PolarHBondContact O-N 3.42Å; V164-A168 VanDerWaalsContact O-N 3.09Å; S165-A168 PolarHBondContact O-N 2.8Å; E166-A168 VanDerWaalsContact C-N 3.29Å; E166-A168 PolarHBondContact O-N 3.48Å; A168-N170 VanDerWaalsContact C-N 3.33Å; A168-N170 PolarHBondContact O-N 2.69Å; A168-K171 WeakPolarHBondContact O-CB 3.48Å; A168-K171 PolarHBondContact O-N 3.29Å; A168-F172 HydrophobicContact CB-CE2 4.16Å; A168-F172 VanDerWaalsContact O-CD2 3.26Å; A168-F172 WeakPolarHBondContact O-CD2 3.48Å; A168-F172 VanDerWaalsContact O-CG 3.27Å; A168-F172 WeakPolarHBondContact O-CG 3.26Å; A168-F172 PolarHBondContact O-N 3.04Å
169	S	82.7	Confident	79.1	Confident	46 Å²	46	93.6 Å²	93.6	32%	0.322	44%	0.442	S	S	.	.	H	α-helix	trans	-57.8	-45.2	176.9	-177	0	0	0	0	111.2	S165 E166 K171 F172 K173	S165-S169 WeakPolarHBondContact O-CB 3.27Å; S165-S169 PolarHBondContact O-N 2.8Å; E166-S169 PolarHBondContact O-N 3.17Å; S169-K171 PolarHBondContact O-N 3.11Å; S169-F172 PolarHBondContact O-N 3.48Å; S169-K173 WeakPolarHBondContact O-CB 3.27Å; S169-K173 VanDerWaalsContact O-CG 3.24Å; S169-K173 WeakPolarHBondContact O-CG 3.44Å; S169-K173 PolarHBondContact O-N 3.44Å; S169-K173 WeakPolarHBondContact OG-CE 3.45Å
170	N	82.4	Confident	80.6	Confident	64 Å²	64	88.6 Å²	88.6	34%	0.342	42%	0.419	S	S	.	.	H	α-helix	trans	-63.7	-40	176.4	-75.8	-27.9	0	0	0	112.3	E166 A168 R174	E166-N170 WeakPolarHBondContact CG-ND2 3.42Å; E166-N170 VanDerWaalsContact O-CB 3.28Å; E166-N170 WeakPolarHBondContact O-CB 3.49Å; E166-N170 VanDerWaalsContact O-CG 3.31Å; E166-N170 PolarHBondContact O-N 3.04Å; E166-N170 PolarHBondContact O-ND2 3.09Å; A168-N170 VanDerWaalsContact C-N 3.33Å; A168-N170 PolarHBondContact O-N 2.69Å; N170-R174 WeakPolarHBondContact O-CB 3.48Å; N170-R174 WeakPolarHBondContact O-CG 3.43Å; N170-R174 PolarHBondContact O-N 3.43Å
171	K	80.4	Confident	81.9	Confident	62 Å²	62	87.6 Å²	87.6	27%	0.27	41%	0.413	S	S	.	.	H	α-helix	trans	-60.6	-47.7	172.2	-173.4	-179.5	-179	179.3	0	110.8	V87 P89 M167 A168 S169 R174 M175	V87-K171 PolarHBondContact O-NZ 3.36Å; P89-K171 HydrophobicContact CB-CD 4.05Å; P89-K171 HydrophobicContact CG-CB 4.09Å; P89-K171 HydrophobicContact CG-CD 3.92Å; M167-K171 PolarHBondContact O-N 3.04Å; A168-K171 WeakPolarHBondContact O-CB 3.48Å; A168-K171 PolarHBondContact O-N 3.29Å; S169-K171 PolarHBondContact O-N 3.11Å; K171-R174 PolarHBondContact O-N 3.02Å; K171-M175 HydrophobicContact CG-SD 4.11Å; K171-M175 WeakPolarHBondContact O-CG 3.26Å; K171-M175 PolarHBondContact O-N 3.21Å
172	F	85.2	Confident	83.1	Confident	91 Å²	91	83.1 Å²	83.1	40%	0.399	40%	0.401	S	S	.	.	H	α-helix	trans	-64.9	-42.8	179.4	-60.6	-31.6	0	0	0	112.8	I86 A168 S169 R174 M175 L176	I86-F172 HydrophobicContact CG2-CE1 3.4Å; I86-F172 VanDerWaalsContact CG2-CE1 3.4Å; I86-F172 HydrophobicContact CG2-CZ 3.75Å; A168-F172 HydrophobicContact CB-CE2 4.16Å; A168-F172 VanDerWaalsContact O-CD2 3.26Å; A168-F172 WeakPolarHBondContact O-CD2 3.48Å; A168-F172 VanDerWaalsContact O-CG 3.27Å; A168-F172 WeakPolarHBondContact O-CG 3.26Å; A168-F172 PolarHBondContact O-N 3.04Å; S169-F172 PolarHBondContact O-N 3.48Å; F172-R174 VanDerWaalsContact C-N 3.33Å; F172-R174 PolarHBondContact O-N 3.02Å; F172-M175 PolarHBondContact O-N 3.04Å; F172-L176 VanDerWaalsContact O-CB 3.32Å; F172-L176 WeakPolarHBondContact O-CB 3.27Å; F172-L176 PolarHBondContact O-N 3.33Å
173	K	85.7	Confident	83.9	Confident	50 Å²	50	78.3 Å²	78.3	22%	0.217	38%	0.38	C	S	.	.	H	α-helix	trans	-59.5	-42.6	174.6	-73.2	173.1	177.7	-179.7	0	111.6	S169 N177 L202 D203	S169-K173 WeakPolarHBondContact O-CB 3.27Å; S169-K173 VanDerWaalsContact O-CG 3.24Å; S169-K173 WeakPolarHBondContact O-CG 3.44Å; S169-K173 PolarHBondContact O-N 3.44Å; S169-K173 WeakPolarHBondContact OG-CE 3.45Å; K173-N177 WeakPolarHBondContact O-CB 3.42Å; K173-N177 PolarHBondContact O-N 2.97Å; K173-N177 PolarHBondContact O-ND2 2.88Å; K173-L202 HydrophobicContact CB-CD2 3.87Å; K173-L202 HydrophobicContact CG-CD2 3.76Å; K173-D203 IonicContact NZ-OD2 3.27Å; K173-D203 PolarHBondContact NZ-OD2 3.04Å
174	R	84.3	Confident	84.7	Confident	196 Å²	196	77.8 Å²	77.8	74%	0.74	38%	0.376	S	S	*	.	H	α-helix	trans	-67.3	-43.5	176.7	-75.5	-178.4	-177.9	171.8	2.9	112.4	N170 K171 F172 N177 R178	N170-R174 WeakPolarHBondContact O-CB 3.48Å; N170-R174 WeakPolarHBondContact O-CG 3.43Å; N170-R174 PolarHBondContact O-N 3.43Å; K171-R174 PolarHBondContact O-N 3.02Å; F172-R174 VanDerWaalsContact C-N 3.33Å; F172-R174 PolarHBondContact O-N 3.02Å; R174-N177 PolarHBondContact O-N 2.89Å; R174-R178 PolarHBondContact O-N 3.5Å; R174-R178 VanDerWaalsContact O-N 3.09Å
175	M	85.3	Confident	85.5	Confident	87 Å²	87	83.9 Å²	83.9	43%	0.429	40%	0.403	S	S	.	.	H	α-helix	trans	-60.2	-48.9	175.3	-72.6	175.6	64.9	0	0	111.1	K171 F172 N177 R178 E179	K171-M175 HydrophobicContact CG-SD 4.11Å; K171-M175 WeakPolarHBondContact O-CG 3.26Å; K171-M175 PolarHBondContact O-N 3.21Å; F172-M175 PolarHBondContact O-N 3.04Å; M175-N177 PolarHBondContact O-N 3.49Å; M175-R178 WeakPolarHBondContact O-CB 3.28Å; M175-R178 PolarHBondContact O-N 3.43Å; M175-E179 PolarHBondContact O-N 3.29Å; M175-E179 VanDerWaalsContact O-N 3.14Å
176	L	88.1	Confident	86.1	Confident	55 Å²	55	86.5 Å²	86.5	29%	0.288	41%	0.41	S	S	.	.	H	α-helix	trans	-60.7	-46.5	177.8	-177	58.5	0	0	0	111.2	F172 R178 E179 L180 I197 L202	F172-L176 VanDerWaalsContact O-CB 3.32Å; F172-L176 WeakPolarHBondContact O-CB 3.27Å; F172-L176 PolarHBondContact O-N 3.33Å; L176-R178 VanDerWaalsContact C-N 3.27Å; L176-R178 PolarHBondContact O-N 2.95Å; L176-E179 PolarHBondContact O-N 2.79Å; L176-E179 VanDerWaalsContact O-N 3.15Å; L176-L180 HydrophobicContact CD1-CD1 4.32Å; L176-L180 HydrophobicContact CD1-CD2 4.22Å; L176-L180 HydrophobicContact CD1-CG 4.01Å; L176-L180 HydrophobicContact CG-CD1 4.02Å; L176-L180 HydrophobicContact CG-CG 4.13Å; L176-L180 WeakPolarHBondContact O-CB 3.2Å; L176-L180 VanDerWaalsContact O-CG 3.26Å; L176-L180 WeakPolarHBondContact O-CG 3.49Å; L176-L180 PolarHBondContact O-N 2.74Å; L176-I197 HydrophobicContact CD1-CG2 4.48Å; L176-I197 HydrophobicContact CD2-CG2 4.25Å; L176-L202 HydrophobicContact CB-CD2 4.44Å; L176-L202 HydrophobicContact CD2-CD2 3.89Å; L176-L202 HydrophobicContact CD2-CG 4.16Å; L176-L202 HydrophobicContact CG-CD2 4.42Å
177	N	85.3	Confident	86.5	Confident	68 Å²	68	83.3 Å²	83.3	36%	0.364	40%	0.401	S	S	.	.	H	α-helix	trans	-55.9	-39.4	175.8	-89.6	-52.4	0	0	0	113.2	K173 R174 M175 T181 L202	K173-N177 WeakPolarHBondContact O-CB 3.42Å; K173-N177 PolarHBondContact O-N 2.97Å; K173-N177 PolarHBondContact O-ND2 2.88Å; R174-N177 PolarHBondContact O-N 2.89Å; M175-N177 PolarHBondContact O-N 3.49Å; N177-T181 WeakPolarHBondContact O-CB 3.37Å; N177-T181 PolarHBondContact O-N 3.13Å; N177-T181 PolarHBondContact O-OG1 3.44Å; N177-L202 WeakPolarHBondContact OD1-CD1 3.32Å
178	R	87.9	Confident	87.1	Confident	207 Å²	207	89 Å²	89	78%	0.781	42%	0.417	S	S	*	.	H	α-helix	trans	-65.1	-44.3	177.1	-175.1	179	176	176.9	-2.1	111.7	R174 M175 L176 T181 H182	R174-R178 PolarHBondContact O-N 3.5Å; R174-R178 VanDerWaalsContact O-N 3.09Å; M175-R178 WeakPolarHBondContact O-CB 3.28Å; M175-R178 PolarHBondContact O-N 3.43Å; L176-R178 VanDerWaalsContact C-N 3.27Å; L176-R178 PolarHBondContact O-N 2.95Å; R178-T181 PolarHBondContact O-N 3.08Å; R178-H182 PolarHBondContact O-N 3.5Å
179	E	90.1	Very high	87.6	Confident	118 Å²	118	92.1 Å²	92.1	55%	0.551	44%	0.438	S	S	*	.	H	α-helix	trans	-66.3	-41.3	176.8	-69.8	-174.9	-166.9	0	0	112.3	M175 L176 T181 H182 L183	M175-E179 PolarHBondContact O-N 3.29Å; M175-E179 VanDerWaalsContact O-N 3.14Å; L176-E179 PolarHBondContact O-N 2.79Å; L176-E179 VanDerWaalsContact O-N 3.15Å; E179-T181 VanDerWaalsContact C-N 3.35Å; E179-T181 PolarHBondContact O-N 3.49Å; E179-H182 PolarHBondContact O-N 3.18Å; E179-L183 WeakPolarHBondContact O-CB 3.36Å; E179-L183 PolarHBondContact O-N 3.27Å
180	L	89.9	Confident	88	Confident	8 Å²	8	90.1 Å²	90.1	4%	0.042	43%	0.425	C	S	.	.	H	α-helix	trans	-64.2	-39.8	176.7	-68.8	-172.5	0	0	0	111.7	L176 H182 L183 S184 S194 I197 L202	L176-L180 HydrophobicContact CD1-CD1 4.32Å; L176-L180 HydrophobicContact CD1-CD2 4.22Å; L176-L180 HydrophobicContact CD1-CG 4.01Å; L176-L180 HydrophobicContact CG-CD1 4.02Å; L176-L180 HydrophobicContact CG-CG 4.13Å; L176-L180 WeakPolarHBondContact O-CB 3.2Å; L176-L180 VanDerWaalsContact O-CG 3.26Å; L176-L180 WeakPolarHBondContact O-CG 3.49Å; L176-L180 PolarHBondContact O-N 2.74Å; L180-H182 PolarHBondContact O-N 3.46Å; L180-L183 PolarHBondContact O-N 3Å; L180-S184 WeakPolarHBondContact O-CB 3.32Å; L180-S184 PolarHBondContact O-N 2.92Å; L180-S194 WeakPolarHBondContact CB-OG 3.32Å; L180-S194 PolarHBondContact O-OG 3.49Å; L180-S194 VanDerWaalsContact O-OG 3.05Å; L180-I197 HydrophobicContact CD1-CB 4.08Å; L180-I197 HydrophobicContact CD1-CG2 3.8Å; L180-I197 HydrophobicContact CD2-CB 4.01Å; L180-I197 HydrophobicContact CD2-CD1 3.95Å; L180-I197 HydrophobicContact CD2-CG2 3.99Å; L180-I197 HydrophobicContact CG-CG2 4.47Å; L180-L202 HydrophobicContact CD1-CD1 4.01Å
181	T	87.4	Confident	88.5	Confident	75 Å²	75	90.2 Å²	90.2	46%	0.46	43%	0.426	S	S	.	.	H	α-helix	trans	-58.8	-48.9	174.5	-56.8	0	0	0	0	110.4	N177 R178 E179 L183 S184 E185	N177-T181 WeakPolarHBondContact O-CB 3.37Å; N177-T181 PolarHBondContact O-N 3.13Å; N177-T181 PolarHBondContact O-OG1 3.44Å; R178-T181 PolarHBondContact O-N 3.08Å; E179-T181 VanDerWaalsContact C-N 3.35Å; E179-T181 PolarHBondContact O-N 3.49Å; T181-L183 PolarHBondContact O-N 3.43Å; T181-S184 PolarHBondContact O-N 2.85Å; T181-S184 PolarHBondContact O-OG 3.22Å; T181-E185 PolarHBondContact O-N 3.03Å
182	H	89.7	Confident	89	Confident	122 Å²	122	92.9 Å²	92.9	57%	0.565	44%	0.439	S	S	*	.	H	α-helix	trans	-61.5	-42.3	176.2	-173.5	-96.6	0	0	0	112	R178 E179 L180 S184 E185 M186	R178-H182 PolarHBondContact O-N 3.5Å; E179-H182 PolarHBondContact O-N 3.18Å; L180-H182 PolarHBondContact O-N 3.46Å; H182-S184 VanDerWaalsContact C-N 3.3Å; H182-S184 PolarHBondContact O-N 3.32Å; H182-E185 PolarHBondContact O-N 3.12Å; H182-M186 PolarHBondContact ND1-SD 3.24Å; H182-M186 VanDerWaalsContact ND1-SD 3.39Å; H182-M186 VanDerWaalsContact O-CG 3.27Å; H182-M186 WeakPolarHBondContact O-CG 3.19Å; H182-M186 PolarHBondContact O-N 2.94Å
183	L	89	Confident	89.4	Confident	49 Å²	49	91.9 Å²	91.9	26%	0.257	44%	0.44	S	S	.	.	H	α-helix	trans	-62.1	-37.3	176.4	-174	64.7	0	0	0	112.5	E179 L180 T181 E185 M186 G190 V193	E179-L183 WeakPolarHBondContact O-CB 3.36Å; E179-L183 PolarHBondContact O-N 3.27Å; L180-L183 PolarHBondContact O-N 3Å; T181-L183 PolarHBondContact O-N 3.43Å; L183-E185 VanDerWaalsContact C-N 3.28Å; L183-E185 PolarHBondContact O-N 2.86Å; L183-M186 HydrophobicContact CD1-CE 4.12Å; L183-M186 HydrophobicContact CD1-SD 4.11Å; L183-M186 PolarHBondContact O-N 2.92Å; L183-G190 CarbonylContact O-C 3.52Å; L183-G190 WeakPolarHBondContact O-CA 3.45Å; L183-V193 HydrophobicContact CD2-CB 4.32Å; L183-V193 HydrophobicContact CD2-CG1 3.95Å
184	S	90.1	Very high	89.7	Confident	34 Å²	34	90.1 Å²	90.1	24%	0.238	43%	0.434	C	S	.	.	H	α-helix	trans	-65.8	-31.7	180	80.8	0	0	0	0	112.9	L180 T181 H182	L180-S184 WeakPolarHBondContact O-CB 3.32Å; L180-S184 PolarHBondContact O-N 2.92Å; T181-S184 PolarHBondContact O-N 2.85Å; T181-S184 PolarHBondContact O-OG 3.22Å; H182-S184 VanDerWaalsContact C-N 3.3Å; H182-S184 PolarHBondContact O-N 3.32Å
185	E	92.4	Very high	90	Very high	149 Å²	149	86 Å²	86	70%	0.696	42%	0.423	S	S	*	.	H	α-helix	trans	-79.3	-24.3	178.7	-67.4	176.9	-180	0	0	112.5	T181 H182 L183	T181-E185 PolarHBondContact O-N 3.03Å; H182-E185 PolarHBondContact O-N 3.12Å; L183-E185 VanDerWaalsContact C-N 3.28Å; L183-E185 PolarHBondContact O-N 2.86Å
186	M	90.9	Very high	90.3	Very high	117 Å²	117	87.9 Å²	87.9	58%	0.576	43%	0.429	S	S	*	.	H	α-helix	trans	-69.7	-35.3	-174.5	-72.4	157.3	63	0	0	113.9	H182 L183	H182-M186 PolarHBondContact ND1-SD 3.24Å; H182-M186 VanDerWaalsContact ND1-SD 3.39Å; H182-M186 VanDerWaalsContact O-CG 3.27Å; H182-M186 WeakPolarHBondContact O-CG 3.19Å; H182-M186 PolarHBondContact O-N 2.94Å; L183-M186 HydrophobicContact CD1-CE 4.12Å; L183-M186 HydrophobicContact CD1-SD 4.11Å; L183-M186 PolarHBondContact O-N 2.92Å
187	S	90.1	Very high	90.5	Very high	51 Å²	51	87.2 Å²	87.2	36%	0.357	43%	0.426	S	S	.	.			trans	-167.7	163.5	-179.7	60.8	0	0	0	0	112.5	S189 G190 N191	S187-S189 VanDerWaalsContact C-N 3.27Å; S187-S189 PolarHBondContact O-N 3.41Å; S187-S189 PolarHBondContact OG-OG 3.47Å; S187-G190 CarbonylContact O-C 3.59Å; S187-G190 WeakPolarHBondContact O-CA 3.47Å; S187-G190 PolarHBondContact O-N 2.91Å; S187-G190 PolarHBondContact OG-N 2.87Å; S187-N191 PolarHBondContact O-N 3.3Å
188	R	90	Very high	90.6	Very high	212 Å²	212	85.7 Å²	85.7	80%	0.8	42%	0.42	S	S	*	.	H	α-helix	trans	-58.2	-38.4	171.7	-175.5	178.1	178.7	179.6	0.7	112.5	N191 Q192	R188-N191 PolarHBondContact O-N 3.42Å; R188-Q192 PolarHBondContact O-N 2.93Å; R188-Q192 VanDerWaalsContact O-N 3.15Å
189	S	93.1	Very high	90.7	Very high	73 Å²	73	79.9 Å²	79.9	51%	0.51	41%	0.405	S	S	.	.	H	α-helix	trans	-67	-40	173.1	41.4	0	0	0	0	111.9	S187 N191 Q192 V193	S187-S189 VanDerWaalsContact C-N 3.27Å; S187-S189 PolarHBondContact O-N 3.41Å; S187-S189 PolarHBondContact OG-OG 3.47Å; S189-N191 VanDerWaalsContact C-N 3.31Å; S189-N191 PolarHBondContact O-N 2.98Å; S189-Q192 PolarHBondContact O-N 2.77Å; S189-V193 WeakPolarHBondContact O-CG2 3.46Å; S189-V193 PolarHBondContact O-N 2.81Å
190	G	91.6	Very high	90.7	Very high	5 Å²	5	78 Å²	78	5%	0.052	40%	0.402	C	S	.	.	H	α-helix	trans	-61.4	-40.1	175.2	0	0	0	0	0	112	L183 S187 V193 S194	L183-G190 CarbonylContact O-C 3.52Å; L183-G190 WeakPolarHBondContact O-CA 3.45Å; S187-G190 CarbonylContact O-C 3.59Å; S187-G190 WeakPolarHBondContact O-CA 3.47Å; S187-G190 PolarHBondContact O-N 2.91Å; S187-G190 PolarHBondContact OG-N 2.87Å; G190-V193 PolarHBondContact O-N 3.2Å; G190-S194 VanDerWaalsContact O-CB 3.24Å; G190-S194 WeakPolarHBondContact O-CB 3.44Å; G190-S194 PolarHBondContact O-N 3.21Å
191	N	91.9	Very high	90.7	Very high	65 Å²	65	84.2 Å²	84.2	35%	0.348	43%	0.429	S	S	.	.	H	α-helix	trans	-60.1	-50.8	171.9	-170.7	-26.3	0	0	0	112	S187 R188 S189 V193 S194 E195	S187-N191 PolarHBondContact O-N 3.3Å; R188-N191 PolarHBondContact O-N 3.42Å; S189-N191 VanDerWaalsContact C-N 3.31Å; S189-N191 PolarHBondContact O-N 2.98Å; N191-V193 VanDerWaalsContact C-N 3.31Å; N191-V193 PolarHBondContact O-N 2.93Å; N191-S194 WeakPolarHBondContact O-CB 3.47Å; N191-S194 PolarHBondContact O-N 2.99Å; N191-S194 VanDerWaalsContact O-N 3.11Å; N191-E195 PolarHBondContact O-N 3.36Å; N191-E195 PolarHBondContact OD1-OE1 3.25Å
192	Q	92.1	Very high	90.4	Very high	118 Å²	118	81.2 Å²	81.2	55%	0.551	41%	0.41	S	S	*	.	H	α-helix	trans	-59.2	-40.2	177.8	-71.5	-178.4	-37.7	0	0	113.3	R188 S189 F196	R188-Q192 PolarHBondContact O-N 2.93Å; R188-Q192 VanDerWaalsContact O-N 3.15Å; S189-Q192 PolarHBondContact O-N 2.77Å; Q192-F196 WeakPolarHBondContact O-CB 3.49Å; Q192-F196 PolarHBondContact O-N 3.42Å
193	V	93.5	Very high	89.6	Confident	70 Å²	70	81.2 Å²	81.2	42%	0.424	41%	0.414	S	S	.	.	H	α-helix	trans	-67.6	-42.2	176.3	174.2	0	0	0	0	110.5	L183 S189 G190 N191 F196 I197	L183-V193 HydrophobicContact CD2-CB 4.32Å; L183-V193 HydrophobicContact CD2-CG1 3.95Å; S189-V193 WeakPolarHBondContact O-CG2 3.46Å; S189-V193 PolarHBondContact O-N 2.81Å; G190-V193 PolarHBondContact O-N 3.2Å; N191-V193 VanDerWaalsContact C-N 3.31Å; N191-V193 PolarHBondContact O-N 2.93Å; V193-F196 PolarHBondContact O-N 3.09Å; V193-I197 HydrophobicContact CG1-CD1 3.72Å; V193-I197 HydrophobicContact CG1-CG1 4.33Å; V193-I197 VanDerWaalsContact O-CG1 3.32Å; V193-I197 WeakPolarHBondContact O-CG1 3.49Å; V193-I197 PolarHBondContact O-N 3.34Å
194	S	91.3	Very high	88.2	Confident	13 Å²	13	84.5 Å²	84.5	9%	0.091	43%	0.426	C	S	.	.	H	α-helix	trans	-59.3	-48.2	175.4	174.7	0	0	0	0	111.9	L180 G190 N191 F196 I197 S198	L180-S194 WeakPolarHBondContact CB-OG 3.32Å; L180-S194 PolarHBondContact O-OG 3.49Å; L180-S194 VanDerWaalsContact O-OG 3.05Å; G190-S194 VanDerWaalsContact O-CB 3.24Å; G190-S194 WeakPolarHBondContact O-CB 3.44Å; G190-S194 PolarHBondContact O-N 3.21Å; N191-S194 WeakPolarHBondContact O-CB 3.47Å; N191-S194 PolarHBondContact O-N 2.99Å; N191-S194 VanDerWaalsContact O-N 3.11Å; S194-F196 PolarHBondContact O-N 3.42Å; S194-I197 PolarHBondContact O-N 3.46Å; S194-S198 WeakPolarHBondContact O-CB 3.36Å; S194-S198 PolarHBondContact O-N 2.88Å
195	E	89.8	Confident	86.4	Confident	110 Å²	110	91.9 Å²	91.9	51%	0.514	46%	0.457	S	S	.	.	H	α-helix	trans	-60.8	-44.3	175.2	-74.5	-176.6	166.7	0	0	111.6	N191 N199	N191-E195 PolarHBondContact O-N 3.36Å; N191-E195 PolarHBondContact OD1-OE1 3.25Å; E195-N199 WeakPolarHBondContact O-CB 3.39Å; E195-N199 PolarHBondContact O-N 3.42Å; E195-N199 PolarHBondContact O-ND2 3.5Å
196	F	91.9	Very high	84.2	Confident	126 Å²	126	89.3 Å²	89.3	55%	0.553	45%	0.445	S	S	*	.	H	α-helix	trans	-59.9	-50.1	177.5	169.7	-106.7	0	0	0	111.9	Q192 V193 S194 N199 T200 F201	Q192-F196 WeakPolarHBondContact O-CB 3.49Å; Q192-F196 PolarHBondContact O-N 3.42Å; V193-F196 PolarHBondContact O-N 3.09Å; S194-F196 PolarHBondContact O-N 3.42Å; F196-N199 PolarHBondContact O-N 3.06Å; F196-T200 VanDerWaalsContact O-CB 3.28Å; F196-T200 WeakPolarHBondContact O-CB 3.36Å; F196-T200 PolarHBondContact O-N 3Å; F196-T200 VanDerWaalsContact O-N 3.15Å; F196-T200 PolarHBondContact O-OG1 3.32Å; F196-F201 HydrophobicContact CE1-CE2 4.33Å
197	I	92.1	Very high	81.6	Confident	42 Å²	42	88.6 Å²	88.6	22%	0.215	44%	0.44	C	S	.	.	H	α-helix	trans	-65.3	-47.1	-178.8	-63.8	170.4	0	0	0	109.9	L176 L180 V193 S194 N199 T200 F201	L176-I197 HydrophobicContact CD1-CG2 4.48Å; L176-I197 HydrophobicContact CD2-CG2 4.25Å; L180-I197 HydrophobicContact CD1-CB 4.08Å; L180-I197 HydrophobicContact CD1-CG2 3.8Å; L180-I197 HydrophobicContact CD2-CB 4.01Å; L180-I197 HydrophobicContact CD2-CD1 3.95Å; L180-I197 HydrophobicContact CD2-CG2 3.99Å; L180-I197 HydrophobicContact CG-CG2 4.47Å; V193-I197 HydrophobicContact CG1-CD1 3.72Å; V193-I197 HydrophobicContact CG1-CG1 4.33Å; V193-I197 VanDerWaalsContact O-CG1 3.32Å; V193-I197 WeakPolarHBondContact O-CG1 3.49Å; V193-I197 PolarHBondContact O-N 3.34Å; S194-I197 PolarHBondContact O-N 3.46Å; I197-N199 VanDerWaalsContact C-N 3.3Å; I197-N199 PolarHBondContact O-N 3.28Å; I197-T200 PolarHBondContact O-N 3Å; I197-F201 HydrophobicContact CB-CD2 4.38Å; I197-F201 HydrophobicContact CG2-CD2 3.91Å; I197-F201 PolarHBondContact O-N 3.06Å
198	S	88.4	Confident	79.1	Confident	35 Å²	35	91.8 Å²	91.8	25%	0.245	46%	0.457	C	S	.	.	H	α-helix	trans	-63.2	-35	-179.7	-175.6	0	0	0	0	112.7	S194 L202	S194-S198 WeakPolarHBondContact O-CB 3.36Å; S194-S198 PolarHBondContact O-N 2.88Å; S198-L202 WeakPolarHBondContact O-CB 3.45Å
199	N	89.2	Confident	76.4	Confident	86 Å²	86	87.7 Å²	87.7	46%	0.46	45%	0.447	S	S	.	.	H	α-helix	trans	-79	-20	179.2	-71.2	-39.4	0	0	0	113.2	E195 F196 I197 K204	E195-N199 WeakPolarHBondContact O-CB 3.39Å; E195-N199 PolarHBondContact O-N 3.42Å; E195-N199 PolarHBondContact O-ND2 3.5Å; F196-N199 PolarHBondContact O-N 3.06Å; I197-N199 VanDerWaalsContact C-N 3.3Å; I197-N199 PolarHBondContact O-N 3.28Å; N199-K204 WeakPolarHBondContact OD1-CE 3.4Å; N199-K204 PolarHBondContact OD1-NZ 3.23Å
200	T	90.2	Very high	73.8	Confident	79 Å²	79	87.2 Å²	87.2	49%	0.485	44%	0.438	S	S	.	.	H	α-helix	trans	-103.7	-41.3	-171.7	-52.1	0	0	0	0	112.9	F196 I197	F196-T200 VanDerWaalsContact O-CB 3.28Å; F196-T200 WeakPolarHBondContact O-CB 3.36Å; F196-T200 PolarHBondContact O-N 3Å; F196-T200 VanDerWaalsContact O-N 3.15Å; F196-T200 PolarHBondContact O-OG1 3.32Å; I197-T200 PolarHBondContact O-N 3Å
201	F	89.4	Confident	71.3	Confident	138 Å²	138	92.5 Å²	92.5	61%	0.605	47%	0.471	S	S	*	.	H	α-helix	trans	-113.1	-12.3	-170.5	-57.6	-77	0	0	0	114	F196 I197	F196-F201 HydrophobicContact CE1-CE2 4.33Å; I197-F201 HydrophobicContact CB-CD2 4.38Å; I197-F201 HydrophobicContact CG2-CD2 3.91Å; I197-F201 PolarHBondContact O-N 3.06Å
202	L	82.8	Confident	68.6	Low	12 Å²	12	93.7 Å²	93.7	6%	0.063	49%	0.485	C	S	.	.	S	Bend	trans	-100.5	128.6	169.9	-63.3	173.7	0	0	0	108.1	K173 L176 N177 L180 S198 K204	K173-L202 HydrophobicContact CB-CD2 3.87Å; K173-L202 HydrophobicContact CG-CD2 3.76Å; L176-L202 HydrophobicContact CB-CD2 4.44Å; L176-L202 HydrophobicContact CD2-CD2 3.89Å; L176-L202 HydrophobicContact CD2-CG 4.16Å; L176-L202 HydrophobicContact CG-CD2 4.42Å; N177-L202 WeakPolarHBondContact OD1-CD1 3.32Å; L180-L202 HydrophobicContact CD1-CD1 4.01Å; S198-L202 WeakPolarHBondContact O-CB 3.45Å; L202-K204 PolarHBondContact O-N 3.07Å
203	D	72	Confident	66	Low	121 Å²	121	92 Å²	92	65%	0.647	48%	0.484	S	S	*	.			trans	-59.2	116.4	166.4	-65.6	-41.1	0	0	0	107.5	K173 Q205	K173-D203 IonicContact NZ-OD2 3.27Å; K173-D203 PolarHBondContact NZ-OD2 3.04Å; D203-Q205 PolarHBondContact O-N 2.93Å
204	K	59	Low	63.4	Low	118 Å²	118	94 Å²	94	51%	0.513	50%	0.496	S	S	.	.			trans	-63.3	113	169.9	-62.5	-175	178.5	-169.7	0	106.7	N199 L202 H206	N199-K204 WeakPolarHBondContact OD1-CE 3.4Å; N199-K204 PolarHBondContact OD1-NZ 3.23Å; L202-K204 PolarHBondContact O-N 3.07Å; K204-H206 VanDerWaalsContact CB-O 3.22Å; K204-H206 WeakPolarHBondContact CB-O 3.38Å; K204-H206 PolarHBondContact O-N 2.67Å
205	Q	52.3	Low	61	Low	189 Å²	189	101.5 Å²	101.5	88%	0.883	53%	0.53	S	S	*	.	S	Bend	trans	-61.6	87.5	150.9	-70	-175.4	-27.8	0	0	106	D203	D203-Q205 PolarHBondContact O-N 2.93Å
206	H	47	Very low	58.5	Low	96 Å²	96	106.8 Å²	106.8	44%	0.444	55%	0.551	S	S	.	*	S	Bend	trans	107.7	138	177.2	-70	48.3	0	0	0	119.1	K204	K204-H206 VanDerWaalsContact CB-O 3.22Å; K204-H206 WeakPolarHBondContact CB-O 3.38Å; K204-H206 PolarHBondContact O-N 2.67Å
207	E	35.9	Very low	56	Low	101 Å²	101	108.7 Å²	108.7	47%	0.472	56%	0.562	S	S	.	*			trans	88.8	74.9	166.6	-58.6	-163.4	-166.3	0	0	118.1	E209 Q424	E207-E209 PolarHBondContact O-N 3.45Å; E207-Q424 VanDerWaalsContact CD-NE2 3.31Å; E207-Q424 PolarHBondContact OE1-OE1 3.08Å; E207-Q424 PolarHBondContact OE2-NE2 2.87Å
208	V	37	Very low	53.4	Low	118 Å²	118	116.4 Å²	116.4	72%	0.715	59%	0.594	S	S	*	*			trans	-70.7	104	147.7	-179	0	0	0	0	107.3	I210	V208-I210 PolarHBondContact O-N 3Å
209	E	33.2	Very low	51	Low	126 Å²	126	122 Å²	122	59%	0.589	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-68.3	117	172.5	-73.8	-165.7	131.1	0	0	110.6	E207 K420	E207-E209 PolarHBondContact O-N 3.45Å; E209-K420 IonicContact OE1-NZ 3.82Å; E209-K420 PolarHBondContact OE1-NZ 3.18Å
210	I	39.1	Very low	48.6	Very low	63 Å²	63	125.9 Å²	125.9	32%	0.323	63%	0.629	S	S	.	*	P	Polyproline II helix	trans	-79.8	134.3	164.2	-44.4	167.3	0	0	0	107.4	V208 S212 R427	V208-I210 PolarHBondContact O-N 3Å; I210-S212 PolarHBondContact O-N 3.36Å; I210-S212 VanDerWaalsContact O-N 3.14Å; I210-R427 HydrophobicContact CD1-CB 4.33Å; I210-R427 HydrophobicContact CD1-CG 4.33Å
211	P	39.2	Very low	45.9	Very low	117 Å²	117	131.8 Å²	131.8	76%	0.76	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-58.8	118.1	164.2	-18.3	30.1	0	0	0	109.6
212	S	34.6	Very low	43.2	Very low	89 Å²	89	134.7 Å²	134.7	62%	0.622	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-60	134.3	173.5	47.8	0	0	0	0	110.7	I210 T214	I210-S212 PolarHBondContact O-N 3.36Å; I210-S212 VanDerWaalsContact O-N 3.14Å; S212-T214 PolarHBondContact O-N 3.27Å
213	P	38.2	Very low	41.3	Very low	84 Å²	84	144.2 Å²	144.2	55%	0.545	70%	0.695	S	S	.	*	S	Bend	trans	-78.5	64.1	175.9	32.9	-32.9	0	0	0	110.4
214	T	38.6	Very low	40.1	Very low	110 Å²	110	144.5 Å²	144.5	68%	0.675	70%	0.704	S	S	*	*			trans	-148.6	60.8	177.2	44.7	0	0	0	0	112.9	S212	S212-T214 PolarHBondContact O-N 3.27Å
215	Q	40.6	Very low	39.6	Very low	172 Å²	172	147.6 Å²	147.6	80%	0.804	72%	0.722	S	S	*	*			trans	-141.2	103.4	148	-73.5	-167.7	-26.2	0	0	109.9	E217	Q215-E217 PolarHBondContact O-N 2.76Å
216	K	38.3	Very low	39.4	Very low	220 Å²	220	141.9 Å²	141.9	96%	0.957	70%	0.703	S	S	*	*			trans	-67.9	86.2	158.6	-80.7	-178.8	175.5	174.4	0	107.6
217	E	39.8	Very low	39.7	Very low	166 Å²	166	145 Å²	145	78%	0.776	72%	0.718	S	S	*	*			trans	-121.3	123.9	159.4	-85.9	-164.3	149.6	0	0	110.5	Q215 E219	Q215-E217 PolarHBondContact O-N 2.76Å; E217-E219 PolarHBondContact O-N 3.48Å
218	K	36.6	Very low	40.8	Very low	204 Å²	204	142 Å²	142	89%	0.887	71%	0.705	S	S	*	*			trans	-57.5	124.3	169	-69.4	166.9	170.8	174.4	0	108.4
219	E	38.5	Very low	41.7	Very low	152 Å²	152	142.2 Å²	142.2	71%	0.71	71%	0.712	S	S	*	*				168.9	121.7	128	-92	-165.5	132.4	0	0	113.5	E217	E217-E219 PolarHBondContact O-N 3.48Å
220	K	37.5	Very low	42.7	Very low	168 Å²	168	138 Å²	138	73%	0.73	70%	0.702	S	S	*	*			trans	51.5	108.4	139.2	-63.5	169.2	-176.7	149	0	120.5
221	K	35.2	Very low	43.8	Very low	203 Å²	203	136.7 Å²	136.7	88%	0.883	70%	0.696	S	S	*	*				53.7	121.1	129.7	-73.1	-177.1	174	-179.4	0	119.4
222	K	32.4	Very low	44.8	Very low	200 Å²	200	137.6 Å²	137.6	87%	0.87	69%	0.689	S	S	*	*			trans	96.4	90.9	160	-58.9	-174.6	177.4	-173.7	0	116.3
223	R	41.8	Very low	46	Very low	212 Å²	212	142.4 Å²	142.4	80%	0.8	70%	0.698	S	S	*	*			trans	-139.7	113.9	150.2	-70	-170.7	-178.4	-178.6	0.8	108.8	S226	R223-S226 PolarHBondContact O-OG 3.35Å
224	P	48.4	Very low	47	Very low	126 Å²	126	139.7 Å²	139.7	82%	0.818	68%	0.679	S	S	*	*	G	3₁₀ helix	trans	-73.7	-23.5	-176.5	24.7	-29.7	0	0	0	113.8
225	M	48.3	Very low	48.2	Very low	184 Å²	184	141.5 Å²	141.5	91%	0.906	68%	0.681	S	S	*	*	G	3₁₀ helix	trans	-88.4	2.6	-175.5	-63.6	-154.9	-55.1	0	0	115.8
226	S	48	Very low	49.2	Very low	68 Å²	68	134.7 Å²	134.7	48%	0.476	65%	0.649	S	S	.	*	G	3₁₀ helix	trans	-91.4	-1	-178.3	63.3	0	0	0	0	114.5	R223	R223-S226 PolarHBondContact O-OG 3.35Å
227	Q	51.9	Low	49.9	Very low	163 Å²	163	126.6 Å²	126.6	76%	0.762	62%	0.621	S	S	*	*			trans	-112.1	100.4	-179.8	-69.4	-178.2	-19.6	0	0	108.5	S229	Q227-S229 PolarHBondContact O-N 3.32Å
228	I	60.1	Low	50.5	Low	37 Å²	37	123.3 Å²	123.3	19%	0.19	62%	0.616	C	S	.	*			trans	-73.5	110.9	162.6	-59.4	172	0	0	0	105.1	G230 V231 A401 V402 K405	I228-G230 PolarHBondContact O-N 2.64Å; I228-V231 HydrophobicContact CB-CG2 4.15Å; I228-V231 HydrophobicContact CG2-CG2 4.35Å; I228-V231 PolarHBondContact O-N 3.31Å; I228-A401 HydrophobicContact CD1-CB 3.72Å; I228-A401 WeakPolarHBondContact CD1-O 3.47Å; I228-V402 HydrophobicContact CG2-CG2 4.21Å; I228-K405 HydrophobicContact CD1-CB 3.91Å; I228-K405 HydrophobicContact CD1-CG 4.15Å
229	S	55.1	Low	51.2	Low	123 Å²	123	116.7 Å²	116.7	86%	0.86	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	104.5	177.2	-169.3	0	0	0	0	108.2	Q227	Q227-S229 PolarHBondContact O-N 3.32Å
230	G	55	Low	52.1	Low	37 Å²	37	110.2 Å²	110.2	38%	0.381	57%	0.566	S	S	.	*	T	Hydrogen-bonded Turn	trans	146.3	-26.4	-177.3	0	0	0	0	0	114.4	I228 K232	I228-G230 PolarHBondContact O-N 2.64Å; G230-K232 PolarHBondContact O-N 2.94Å
231	V	61.8	Low	52.9	Low	35 Å²	35	106.8 Å²	106.8	21%	0.212	56%	0.559	C	S	.	*			trans	-70.9	105.8	-179.8	-176.8	0	0	0	0	110.2	I228 H318 K405 L406	I228-V231 HydrophobicContact CB-CG2 4.15Å; I228-V231 HydrophobicContact CG2-CG2 4.35Å; I228-V231 PolarHBondContact O-N 3.31Å; V231-H318 WeakPolarHBondContact CA-NE2 3.3Å; V231-K405 HydrophobicContact CG2-CG 4.06Å; V231-L406 HydrophobicContact CG1-CD2 3.75Å
232	K	61	Low	53.5	Low	137 Å²	137	105 Å²	105	60%	0.596	56%	0.559	S	S	*	*			trans	-71.1	143.2	177.2	-68.4	174.7	-173.3	162.2	0	109.4	G230 H318	G230-K232 PolarHBondContact O-N 2.94Å; K232-H318 PolarHBondContact N-NE2 2.73Å
233	K	58.5	Low	54.8	Low	190 Å²	190	97.5 Å²	97.5	83%	0.826	53%	0.532	S	S	*	.			trans	-65.2	142.5	177.6	-169	179.2	-179.2	-174.8	0	110.7	M235	K233-M235 PolarHBondContact O-N 2.84Å
234	L	60.7	Low	56.4	Low	27 Å²	27	92.7 Å²	92.7	14%	0.141	53%	0.531	C	S	.	.			trans	-45.2	127.6	-178.4	-111.7	75.8	0	0	0	113.7	T310 T314 E409 E410	L234-T310 HydrophobicContact CD2-CG2 4.06Å; L234-T314 HydrophobicContact CD1-CG2 4.05Å; L234-E409 HydrophobicContact CD1-CB 3.33Å; L234-E409 HydrophobicContact CD1-CG 3.52Å; L234-E409 WeakPolarHBondContact CD1-OE2 3.25Å; L234-E410 WeakPolarHBondContact CD2-O 3.34Å
235	M	63.1	Low	57.9	Low	147 Å²	147	90 Å²	90	72%	0.724	51%	0.508	S	S	*	.	S	Bend	trans	-92	-15.1	169.2	-64.1	-175	70	0	0	112.6	K233	K233-M235 PolarHBondContact O-N 2.84Å
236	H	62	Low	59.8	Low	29 Å²	29	82.2 Å²	82.2	13%	0.134	47%	0.472	C	S	.	.	S	Bend	trans	-115.9	1	-166.7	-55.9	-63.5	0	0	0	116.3	S238 S239 D317	H236-S238 PolarHBondContact O-N 3Å; H236-S239 PolarHBondContact O-N 2.71Å; H236-D317 IonicContact CD2-OD2 2.74Å; H236-D317 PolarHBondContact CD2-OD2 2.76Å; H236-D317 IonicContact CE1-OD2 3.46Å; H236-D317 IonicContact NE2-OD1 2.72Å; H236-D317 IonicContact NE2-OD2 2.77Å; H236-D317 PolarHBondContact NE2-OD2 3.21Å
237	S	52.4	Low	61.8	Low	50 Å²	50	85.6 Å²	85.6	35%	0.35	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-23.2	-169.8	70.2	0	0	0	0	115.2
238	S	51.4	Low	63.7	Low	98 Å²	98	78.6 Å²	78.6	69%	0.685	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	-3.8	-174.8	59.5	0	0	0	0	114.9	H236	H236-S238 PolarHBondContact O-N 3Å
239	S	51.3	Low	65.1	Low	65 Å²	65	76.8 Å²	76.8	46%	0.455	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-21.8	-168	84.8	0	0	0	0	114.3	H236	H236-S239 PolarHBondContact O-N 2.71Å
240	L	58.9	Low	66.9	Low	16 Å²	16	71.2 Å²	71.2	8%	0.084	39%	0.393	C	S	.	.	S	Bend	trans	-98.6	-15.6	-171.3	-67.9	158.1	0	0	0	114.3	N242 D306 I309 T310	L240-N242 PolarHBondContact O-N 3.27Å; L240-D306 WeakPolarHBondContact CB-OD1 3.38Å; L240-I309 HydrophobicContact CD1-CB 4.49Å; L240-I309 HydrophobicContact CD1-CG2 4.03Å; L240-I309 HydrophobicContact CD2-CG2 4.4Å; L240-T310 WeakPolarHBondContact CD1-OG1 3.18Å
241	T	53	Low	68.6	Low	95 Å²	95	77 Å²	77	58%	0.583	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	3.7	-168.8	62.4	0	0	0	0	115.7
242	N	49.4	Very low	69.9	Low	165 Å²	165	77 Å²	77	88%	0.882	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-153.9	11.9	-179.8	-87	-37.7	0	0	0	115.9	L240	L240-N242 PolarHBondContact O-N 3.27Å
243	S	58.4	Low	71.3	Confident	43 Å²	43	80.1 Å²	80.1	30%	0.301	42%	0.424	S	S	.	.	S	Bend	trans	-120.6	144.2	177.2	62.3	0	0	0	0	111.7	I245	S243-I245 PolarHBondContact O-N 2.9Å
244	S	75	Confident	72.8	Confident	111 Å²	111	75.4 Å²	75.4	78%	0.776	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-52	124.2	173.3	53.2	0	0	0	0	110.4
245	I	81.6	Confident	74.3	Confident	69 Å²	69	77.4 Å²	77.4	35%	0.354	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-58.6	125	177.8	-64.5	175.4	0	0	0	108.6	S243 V305 D306 I309	S243-I245 PolarHBondContact O-N 2.9Å; I245-V305 HydrophobicContact CD1-CB 3.87Å; I245-V305 HydrophobicContact CD1-CG1 3.89Å; I245-V305 HydrophobicContact CG2-CG1 3.98Å; I245-D306 HydrophobicContact CD1-CB 4.43Å; I245-I309 HydrophobicContact CG2-CD1 3.29Å
246	P	87.2	Confident	75.8	Confident	21 Å²	21	76.7 Å²	76.7	14%	0.136	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-59	148.8	176.9	-21.6	32.6	0	0	0	111.6	F248 G249 V250 K251	P246-F248 PolarHBondContact O-N 2.88Å; P246-F248 VanDerWaalsContact O-N 3.12Å; P246-G249 PolarHBondContact O-N 2.9Å; P246-V250 WeakPolarHBondContact CB-O 3.21Å; P246-K251 HydrophobicContact CB-CG 4.46Å; P246-K251 HydrophobicContact CG-CG 3.6Å
247	R	89.7	Confident	77.4	Confident	139 Å²	139	78.1 Å²	78.1	53%	0.525	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-39.7	-174.8	-177.9	179.2	175.1	-173.2	-5.1	113.7	E255 H289	R247-E255 WeakPolarHBondContact CB-OE1 3.17Å; R247-E255 WeakPolarHBondContact CD-OE1 3.27Å; R247-H289 PolarHBondContact O-CE1 3.21Å
248	F	91.8	Very high	79.5	Confident	16 Å²	16	75.7 Å²	75.7	7%	0.07	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110	22	-178.8	-56.6	-66.2	0	0	0	112.8	P246 V250 E255 L258 A259 L262 V286	P246-F248 PolarHBondContact O-N 2.88Å; P246-F248 VanDerWaalsContact O-N 3.12Å; F248-V250 PolarHBondContact O-N 2.84Å; F248-E255 HydrophobicContact CD2-CG 3.88Å; F248-E255 HydrophobicContact CE2-CG 3.71Å; F248-L258 HydrophobicContact CB-CD2 4.21Å; F248-L258 HydrophobicContact CD2-CD2 3.93Å; F248-L258 HydrophobicContact CD2-CG 4.28Å; F248-L258 HydrophobicContact CG-CD2 4.25Å; F248-A259 HydrophobicContact CE2-CB 3.86Å; F248-A259 HydrophobicContact CZ-CB 3.54Å; F248-L262 HydrophobicContact CD1-CD1 3.44Å; F248-L262 VanDerWaalsContact CD1-CD1 3.44Å; F248-L262 HydrophobicContact CE1-CD1 3.54Å; F248-L262 HydrophobicContact CG-CD1 3.97Å; F248-L262 HydrophobicContact CZ-CD1 4.14Å; F248-V286 HydrophobicContact CB-CG1 4.34Å; F248-V286 HydrophobicContact CB-CG2 4.5Å
249	G	90.1	Very high	81.6	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	38%	0.381	C	S	.	.	S	Bend	trans	75.9	-18.4	-179	0	0	0	0	0	115.6	P246 M313	P246-G249 PolarHBondContact O-N 2.9Å; G249-M313 WeakPolarHBondContact O-CE 3.4Å
250	V	92.3	Very high	83.8	Confident	5 Å²	5	75.4 Å²	75.4	3%	0.03	39%	0.388	C	S	.	.	S	Bend	trans	-116.4	148.9	177.9	-54.6	0	0	0	0	111.6	P246 F248 R282 T285 V286	P246-V250 WeakPolarHBondContact CB-O 3.21Å; F248-V250 PolarHBondContact O-N 2.84Å; V250-R282 HydrophobicContact CG1-CB 3.85Å; V250-T285 HydrophobicContact CG1-CG2 3.74Å; V250-V286 HydrophobicContact CB-CG2 4.23Å; V250-V286 HydrophobicContact CG1-CG2 3.83Å; V250-V286 HydrophobicContact CG2-CG2 3.34Å
251	K	90.2	Very high	85.5	Confident	158 Å²	158	76.9 Å²	76.9	69%	0.687	40%	0.395	S	S	*	.			trans	-85.6	120.4	173.2	-66.4	178.5	-177.8	172.7	0	108.8	P246	P246-K251 HydrophobicContact CB-CG 4.46Å; P246-K251 HydrophobicContact CG-CG 3.6Å
252	T	90	Very high	87.6	Confident	35 Å²	35	72.9 Å²	72.9	22%	0.215	37%	0.37	C	S	.	.			trans	-140.3	146.7	175.4	176.7	0	0	0	0	110.7	Q254 E255 L258 L278	T252-Q254 PolarHBondContact OG1-N 2.9Å; T252-Q254 VanDerWaalsContact OG1-N 3.11Å; T252-E255 HydrophobicContact CG2-CB 4.28Å; T252-L258 HydrophobicContact CG2-CD2 4.05Å; T252-L278 VanDerWaalsContact CB-O 3.3Å; T252-L278 WeakPolarHBondContact CB-O 3.41Å; T252-L278 PolarHBondContact OG1-O 2.99Å
253	E	90.3	Very high	89.8	Confident	203 Å²	203	72 Å²	72	95%	0.949	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-15.2	172.7	-62.2	-174.9	173	0	0	112.2
254	Q	90.7	Very high	91.6	Very high	91 Å²	91	72.8 Å²	72.8	43%	0.425	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108	36.7	-174.9	-57.2	-175.8	-82.8	0	0	112.4	T252 D256 V257 L258 L278	T252-Q254 PolarHBondContact OG1-N 2.9Å; T252-Q254 VanDerWaalsContact OG1-N 3.11Å; Q254-D256 VanDerWaalsContact C-N 3.33Å; Q254-D256 PolarHBondContact O-N 3.06Å; Q254-V257 PolarHBondContact O-N 3.18Å; Q254-V257 VanDerWaalsContact O-N 3.15Å; Q254-L258 PolarHBondContact O-N 3Å; Q254-L278 HydrophobicContact CB-CD2 3.9Å; Q254-L278 HydrophobicContact CG-CD2 4.43Å
255	E	92.3	Very high	92.7	Very high	70 Å²	70	67.8 Å²	67.8	33%	0.327	33%	0.325	S	S	.	.	H	α-helix	trans	-56.6	-41	-173.6	-168.9	178.7	140.6	0	0	113.2	R247 F248 T252 V257 L258 A259	R247-E255 WeakPolarHBondContact CB-OE1 3.17Å; R247-E255 WeakPolarHBondContact CD-OE1 3.27Å; F248-E255 HydrophobicContact CD2-CG 3.88Å; F248-E255 HydrophobicContact CE2-CG 3.71Å; T252-E255 HydrophobicContact CG2-CB 4.28Å; E255-V257 PolarHBondContact O-N 3.13Å; E255-L258 PolarHBondContact O-N 3.44Å; E255-A259 WeakPolarHBondContact O-CB 3.38Å; E255-A259 PolarHBondContact O-N 3.21Å
256	D	94.1	Very high	93.4	Very high	132 Å²	132	67.8 Å²	67.8	71%	0.706	33%	0.326	S	S	*	.	H	α-helix	trans	-67.6	-36	180	-67.3	-37	0	0	0	112.8	Q254 K260	Q254-D256 VanDerWaalsContact C-N 3.33Å; Q254-D256 PolarHBondContact O-N 3.06Å; D256-K260 PolarHBondContact O-N 3.47Å
257	V	95.5	Very high	93.9	Very high	58 Å²	58	72.5 Å²	72.5	35%	0.352	35%	0.345	S	S	.	.	H	α-helix	trans	-72	-41.3	177.2	-173	0	0	0	0	109.5	Q254 E255 A259 K260 E261 L278	Q254-V257 PolarHBondContact O-N 3.18Å; Q254-V257 VanDerWaalsContact O-N 3.15Å; E255-V257 PolarHBondContact O-N 3.13Å; V257-A259 VanDerWaalsContact C-N 3.32Å; V257-A259 PolarHBondContact O-N 2.71Å; V257-K260 WeakPolarHBondContact O-CB 3.45Å; V257-K260 PolarHBondContact O-N 2.71Å; V257-E261 PolarHBondContact O-N 3.32Å; V257-E261 VanDerWaalsContact O-N 3.16Å; V257-L278 HydrophobicContact CB-CD1 4.31Å; V257-L278 HydrophobicContact CB-CD2 4.16Å; V257-L278 HydrophobicContact CG1-CD1 3.78Å; V257-L278 HydrophobicContact CG1-CD2 3.93Å
258	L	96.2	Very high	94.3	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-60.6	-42.4	174.5	-179.2	59.8	0	0	0	111.5	F248 T252 Q254 E255 K260 E261 L262 I275 L278 V286	F248-L258 HydrophobicContact CB-CD2 4.21Å; F248-L258 HydrophobicContact CD2-CD2 3.93Å; F248-L258 HydrophobicContact CD2-CG 4.28Å; F248-L258 HydrophobicContact CG-CD2 4.25Å; T252-L258 HydrophobicContact CG2-CD2 4.05Å; Q254-L258 PolarHBondContact O-N 3Å; E255-L258 PolarHBondContact O-N 3.44Å; L258-K260 VanDerWaalsContact C-N 3.26Å; L258-K260 PolarHBondContact O-N 2.73Å; L258-E261 PolarHBondContact O-N 3.07Å; L258-L262 HydrophobicContact CD1-CD1 4.2Å; L258-L262 HydrophobicContact CD1-CG 4.31Å; L258-L262 HydrophobicContact CG-CD1 3.94Å; L258-L262 HydrophobicContact CG-CG 4.49Å; L258-L262 VanDerWaalsContact O-CG 3.31Å; L258-L262 WeakPolarHBondContact O-CG 3.25Å; L258-L262 PolarHBondContact O-N 2.9Å; L258-I275 HydrophobicContact CD1-CB 4.46Å; L258-I275 HydrophobicContact CD1-CG1 4.34Å; L258-I275 HydrophobicContact CD1-CG2 4.06Å; L258-L278 HydrophobicContact CB-CB 4.27Å; L258-L278 HydrophobicContact CB-CD1 4.48Å; L258-L278 HydrophobicContact CD1-CB 4.12Å; L258-V286 HydrophobicContact CD1-CG1 4.2Å; L258-V286 HydrophobicContact CD2-CG1 4.18Å; L258-V286 HydrophobicContact CD2-CG2 4.23Å; L258-V286 HydrophobicContact CG-CG1 4.48Å
259	A	95.9	Very high	94.4	Very high	17 Å²	17	68.7 Å²	68.7	14%	0.14	34%	0.336	C	S	.	.	H	α-helix	trans	-57.8	-39.9	176.1	0	0	0	0	0	112.3	F248 E255 V257 L262 E263	F248-A259 HydrophobicContact CE2-CB 3.86Å; F248-A259 HydrophobicContact CZ-CB 3.54Å; E255-A259 WeakPolarHBondContact O-CB 3.38Å; E255-A259 PolarHBondContact O-N 3.21Å; V257-A259 VanDerWaalsContact C-N 3.32Å; V257-A259 PolarHBondContact O-N 2.71Å; A259-L262 PolarHBondContact O-N 2.99Å; A259-E263 PolarHBondContact O-N 2.7Å
260	K	96.2	Very high	94.7	Very high	140 Å²	140	68.9 Å²	68.9	61%	0.609	34%	0.337	S	S	*	.	H	α-helix	trans	-66.6	-44	178.6	-172.2	-174.7	176.4	-168.4	0	112.2	D256 V257 L258 L262 E263	D256-K260 PolarHBondContact O-N 3.47Å; V257-K260 WeakPolarHBondContact O-CB 3.45Å; V257-K260 PolarHBondContact O-N 2.71Å; L258-K260 VanDerWaalsContact C-N 3.26Å; L258-K260 PolarHBondContact O-N 2.73Å; K260-L262 VanDerWaalsContact C-N 3.27Å; K260-L262 PolarHBondContact O-N 3.39Å; K260-E263 WeakPolarHBondContact O-CB 3.39Å; K260-E263 PolarHBondContact O-N 2.8Å
261	E	95.8	Very high	95	Very high	47 Å²	47	71.6 Å²	71.6	22%	0.22	35%	0.349	C	S	.	.	H	α-helix	trans	-63.6	-36.1	176	-60.7	-63.3	143.1	0	0	111.2	V257 L258 E263 D264 L270 R274 I275 L278	V257-E261 PolarHBondContact O-N 3.32Å; V257-E261 VanDerWaalsContact O-N 3.16Å; L258-E261 PolarHBondContact O-N 3.07Å; E261-E263 PolarHBondContact O-N 2.92Å; E261-D264 PolarHBondContact O-N 3Å; E261-L270 WeakPolarHBondContact O-CD1 3.31Å; E261-R274 HydrophobicContact CG-CG 3.99Å; E261-I275 HydrophobicContact CB-CG1 4.24Å; E261-L278 HydrophobicContact CG-CD1 3.77Å
262	L	96.5	Very high	95.3	Very high	11 Å²	11	64.1 Å²	64.1	6%	0.058	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-72.7	-9.5	178.9	-68.9	170.7	0	0	0	114.4	F248 L258 A259 K260 D264 V265 I275 V286 I287 T290	F248-L262 HydrophobicContact CD1-CD1 3.44Å; F248-L262 VanDerWaalsContact CD1-CD1 3.44Å; F248-L262 HydrophobicContact CE1-CD1 3.54Å; F248-L262 HydrophobicContact CG-CD1 3.97Å; F248-L262 HydrophobicContact CZ-CD1 4.14Å; L258-L262 HydrophobicContact CD1-CD1 4.2Å; L258-L262 HydrophobicContact CD1-CG 4.31Å; L258-L262 HydrophobicContact CG-CD1 3.94Å; L258-L262 HydrophobicContact CG-CG 4.49Å; L258-L262 VanDerWaalsContact O-CG 3.31Å; L258-L262 WeakPolarHBondContact O-CG 3.25Å; L258-L262 PolarHBondContact O-N 2.9Å; A259-L262 PolarHBondContact O-N 2.99Å; K260-L262 VanDerWaalsContact C-N 3.27Å; K260-L262 PolarHBondContact O-N 3.39Å; L262-D264 PolarHBondContact O-N 3.38Å; L262-V265 VanDerWaalsContact O-CB 3.32Å; L262-V265 WeakPolarHBondContact O-CB 3.07Å; L262-V265 VanDerWaalsContact O-CG1 3.3Å; L262-V265 WeakPolarHBondContact O-CG1 3.46Å; L262-V265 PolarHBondContact O-N 3.22Å; L262-V265 VanDerWaalsContact O-N 3.14Å; L262-I275 HydrophobicContact CD2-CD1 3.91Å; L262-V286 HydrophobicContact CD1-CG1 3.76Å; L262-V286 HydrophobicContact CD2-CG1 4Å; L262-V286 HydrophobicContact CG-CG1 4.41Å; L262-I287 HydrophobicContact CD2-CD1 4.01Å; L262-T290 HydrophobicContact CD2-CG2 4.43Å
263	E	96.3	Very high	95.7	Very high	146 Å²	146	62.8 Å²	62.8	68%	0.682	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-61.3	-25	169.7	-66.7	177.9	-178.9	0	0	111.6	A259 K260 E261	A259-E263 PolarHBondContact O-N 2.7Å; K260-E263 WeakPolarHBondContact O-CB 3.39Å; K260-E263 PolarHBondContact O-N 2.8Å; E261-E263 PolarHBondContact O-N 2.92Å
264	D	95.8	Very high	96	Very high	60 Å²	60	57.1 Å²	57.1	32%	0.321	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-92.6	11.4	178.7	-66.2	-30.9	0	0	0	113	E261 L262 N266 K267 L270	E261-D264 PolarHBondContact O-N 3Å; L262-D264 PolarHBondContact O-N 3.38Å; D264-N266 PolarHBondContact O-N 3.37Å; D264-N266 VanDerWaalsContact O-N 3.09Å; D264-K267 HydrophobicContact CB-CB 4.46Å; D264-K267 HydrophobicContact CB-CD 4.25Å; D264-K267 WeakPolarHBondContact O-CB 3.15Å; D264-K267 PolarHBondContact O-N 2.89Å; D264-K267 WeakPolarHBondContact OD1-CD 3.18Å; D264-K267 WeakPolarHBondContact OD1-CE 3.42Å; D264-K267 IonicContact OD1-NZ 3.18Å; D264-K267 PolarHBondContact OD1-NZ 3.32Å; D264-L270 HydrophobicContact CB-CD1 3.84Å
265	V	97.5	Very high	96.3	Very high	5 Å²	5	52.8 Å²	52.8	3%	0.03	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-28.7	-178.4	69.9	0	0	0	0	113.5	L262 T290 I291 Q336	L262-V265 VanDerWaalsContact O-CB 3.32Å; L262-V265 WeakPolarHBondContact O-CB 3.07Å; L262-V265 VanDerWaalsContact O-CG1 3.3Å; L262-V265 WeakPolarHBondContact O-CG1 3.46Å; L262-V265 PolarHBondContact O-N 3.22Å; L262-V265 VanDerWaalsContact O-N 3.14Å; V265-T290 HydrophobicContact CG1-CG2 4.3Å; V265-T290 HydrophobicContact CG2-CG2 4.24Å; V265-I291 HydrophobicContact CG2-CG1 4.09Å; V265-Q336 HydrophobicContact CG2-CG 4.45Å; V265-Q336 PolarHBondContact O-NE2 2.98Å
266	N	97.6	Very high	96.6	Very high	70 Å²	70	49.7 Å²	49.7	37%	0.374	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	3.3	178.8	-61.7	-22.2	0	0	0	113.3	D264 E294 H339	D264-N266 PolarHBondContact O-N 3.37Å; D264-N266 VanDerWaalsContact O-N 3.09Å; N266-E294 PolarHBondContact ND2-OE1 3.48Å; N266-H339 PolarHBondContact OD1-NE2 3.11Å
267	K	97.5	Very high	96.7	Very high	120 Å²	120	49.2 Å²	49.2	52%	0.522	24%	0.238	S	C	.	.	S	Bend	trans	-110.2	146.7	-176	-61.3	-177.6	-170.8	160.6	0	112	D264 Q336	D264-K267 HydrophobicContact CB-CB 4.46Å; D264-K267 HydrophobicContact CB-CD 4.25Å; D264-K267 WeakPolarHBondContact O-CB 3.15Å; D264-K267 PolarHBondContact O-N 2.89Å; D264-K267 WeakPolarHBondContact OD1-CD 3.18Å; D264-K267 WeakPolarHBondContact OD1-CE 3.42Å; D264-K267 IonicContact OD1-NZ 3.18Å; D264-K267 PolarHBondContact OD1-NZ 3.32Å; K267-Q336 PolarHBondContact O-NE2 3.49Å
268	W	97.5	Very high	96.8	Very high	54 Å²	54	46.5 Å²	46.5	21%	0.205	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	136	168	-157.5	-112.6	0	0	0	110	V340 L341 T489 K490 W547 I561	W268-V340 HydrophobicContact CE3-CB 4.07Å; W268-V340 HydrophobicContact CE3-CG1 3.93Å; W268-V340 HydrophobicContact CZ3-CB 4.41Å; W268-L341 HydrophobicContact CZ3-CD2 4.23Å; W268-L341 HydrophobicContact CZ3-CG 4.16Å; W268-T489 VanDerWaalsContact CZ2-OG1 3.22Å; W268-T489 WeakPolarHBondContact CZ2-OG1 3.33Å; W268-T489 PolarHBondContact NE1-O 2.68Å; W268-T489 VanDerWaalsContact NE1-O 3.1Å; W268-T489 PolarHBondContact NE1-OG1 3.34Å; W268-K490 HydrophobicContact CZ2-CD 4.24Å; W268-K490 VanDerWaalsContact CZ2-CE 3.5Å; W268-W547 AromaticContact CH2-CH2 3.56Å; W268-W547 HydrophobicContact CH2-CH2 3.56Å; W268-W547 AromaticContact CH2-CZ2 3.99Å; W268-W547 HydrophobicContact CH2-CZ2 3.99Å; W268-W547 AromaticContact CZ2-CH2 3.68Å; W268-W547 HydrophobicContact CZ2-CH2 3.68Å; W268-W547 AromaticContact CZ2-CZ2 3.9Å; W268-W547 HydrophobicContact CZ2-CZ2 3.9Å; W268-I561 HydrophobicContact CD2-CD1 4.03Å; W268-I561 HydrophobicContact CD2-CG1 4.36Å; W268-I561 HydrophobicContact CE3-CD1 4.34Å; W268-I561 HydrophobicContact CG-CD1 4.4Å; W268-I561 HydrophobicContact CG-CG1 4.29Å; W268-I561 HydrophobicContact CZ2-CD1 4.24Å; W268-I561 HydrophobicContact CZ2-CG2 4.38Å
269	G	94.3	Very high	96.7	Very high	20 Å²	20	46.7 Å²	46.7	21%	0.206	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.3	22.5	-179.6	0	0	0	0	0	115.7	H271	G269-H271 PolarHBondContact O-N 3.4Å
270	L	97.1	Very high	96.7	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.021	25%	0.246	C	C	.	.			trans	-52.9	131.7	168	-179	68.7	0	0	0	110.5	E261 D264 V272 I275 I287 Q336	E261-L270 WeakPolarHBondContact O-CD1 3.31Å; D264-L270 HydrophobicContact CB-CD1 3.84Å; L270-V272 VanDerWaalsContact C-N 3.27Å; L270-V272 PolarHBondContact O-N 3Å; L270-I275 HydrophobicContact CD1-CD1 3.95Å; L270-I275 HydrophobicContact CD2-CD1 3.54Å; L270-I275 HydrophobicContact CG-CD1 3.78Å; L270-I287 HydrophobicContact CD2-CD1 3.59Å; L270-Q336 HydrophobicContact CB-CG 4.47Å; L270-Q336 HydrophobicContact CD2-CB 4.5Å; L270-Q336 HydrophobicContact CD2-CG 3.62Å
271	H	96.8	Very high	96.7	Very high	62 Å²	62	45.9 Å²	45.9	29%	0.287	24%	0.237	S	C	.	.			trans	-78.7	71.8	-176.3	-158.3	-53.3	0	0	0	112	G269 F273 R274 I275 L494	G269-H271 PolarHBondContact O-N 3.4Å; H271-F273 PolarHBondContact O-N 3.4Å; H271-F273 VanDerWaalsContact O-N 3.11Å; H271-R274 HydrophobicContact CB-CB 4.13Å; H271-R274 WeakPolarHBondContact ND1-CB 3.45Å; H271-R274 PolarHBondContact ND1-N 3.48Å; H271-R274 WeakPolarHBondContact O-CA 3.38Å; H271-R274 VanDerWaalsContact O-CB 3.29Å; H271-R274 WeakPolarHBondContact O-CB 3.28Å; H271-R274 PolarHBondContact O-N 2.73Å; H271-I275 PolarHBondContact O-N 3.39Å; H271-L494 HydrophobicContact CB-CD2 4.45Å
272	V	97.7	Very high	96.7	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.012	24%	0.237	C	C	.	.	H	α-helix	trans	-54.5	-33.9	-174.5	67.9	0	0	0	0	114.1	L270 R274 I275 A276 P283 I329 A332 D333 W498	L270-V272 VanDerWaalsContact C-N 3.27Å; L270-V272 PolarHBondContact O-N 3Å; V272-R274 VanDerWaalsContact C-N 3.28Å; V272-R274 PolarHBondContact O-N 3.37Å; V272-I275 WeakPolarHBondContact O-CB 3.38Å; V272-I275 PolarHBondContact O-N 2.81Å; V272-A276 PolarHBondContact O-N 2.84Å; V272-P283 HydrophobicContact CG2-CB 4.49Å; V272-I329 HydrophobicContact CG1-CG2 4.07Å; V272-I329 HydrophobicContact CG2-CG2 4.04Å; V272-A332 HydrophobicContact CG2-CB 3.93Å; V272-D333 HydrophobicContact CG1-CB 4.18Å; V272-D333 HydrophobicContact CG2-CB 4.44Å; V272-W498 HydrophobicContact CG1-CZ2 3.77Å
273	F	97.9	Very high	96.8	Very high	7 Å²	7	46 Å²	46	3%	0.031	23%	0.234	C	C	.	.	H	α-helix	trans	-62	-35.8	174.2	-56.9	-64.4	0	0	0	112.7	H271 A276 E277 I329 L494 Q497 W498	H271-F273 PolarHBondContact O-N 3.4Å; H271-F273 VanDerWaalsContact O-N 3.11Å; F273-A276 WeakPolarHBondContact O-CB 3.44Å; F273-A276 PolarHBondContact O-N 3.47Å; F273-E277 WeakPolarHBondContact O-CG 3.37Å; F273-E277 PolarHBondContact O-N 3.15Å; F273-I329 HydrophobicContact CD1-CG2 3.81Å; F273-I329 HydrophobicContact CE1-CG2 3.91Å; F273-L494 HydrophobicContact CD2-CD2 3.73Å; F273-L494 HydrophobicContact CE2-CD2 4.01Å; F273-Q497 HydrophobicContact CD2-CB 4.19Å; F273-Q497 HydrophobicContact CE2-CB 3.52Å; F273-Q497 HydrophobicContact CE2-CG 4.33Å; F273-Q497 HydrophobicContact CZ-CB 3.73Å; F273-W498 HydrophobicContact CE1-CD2 4.3Å; F273-W498 HydrophobicContact CE1-CE3 4.27Å; F273-W498 AromaticContact CE1-CH2 3.84Å; F273-W498 HydrophobicContact CE1-CH2 3.84Å; F273-W498 AromaticContact CE1-CZ2 3.91Å; F273-W498 HydrophobicContact CE1-CZ2 3.91Å; F273-W498 HydrophobicContact CE1-CZ3 4.04Å; F273-W498 HydrophobicContact CE2-CD2 4.43Å; F273-W498 HydrophobicContact CE2-CZ2 4.44Å; F273-W498 AromaticContact CZ-CD2 3.55Å; F273-W498 HydrophobicContact CZ-CD2 3.55Å; F273-W498 AromaticContact CZ-CE2 3.43Å; F273-W498 VanDerWaalsContact CZ-CE2 3.43Å; F273-W498 AromaticContact CZ-CE3 3.93Å; F273-W498 HydrophobicContact CZ-CE3 3.93Å; F273-W498 HydrophobicContact CZ-CG 4.05Å; F273-W498 AromaticContact CZ-CH2 3.99Å; F273-W498 HydrophobicContact CZ-CH2 3.99Å; F273-W498 AromaticContact CZ-CZ2 3.66Å; F273-W498 HydrophobicContact CZ-CZ2 3.66Å; F273-W498 HydrophobicContact CZ-CZ3 4.13Å; F273-W498 AromaticContact CZ-NE1 3.93Å
274	R	97.2	Very high	96.9	Very high	84 Å²	84	39 Å²	39	32%	0.317	20%	0.202	S	C	.	.	H	α-helix	trans	-71.3	-38	179.1	-176.8	56.9	176.2	170.2	1.6	110.4	E261 H271 V272 A276 E277 L278	E261-R274 HydrophobicContact CG-CG 3.99Å; H271-R274 HydrophobicContact CB-CB 4.13Å; H271-R274 WeakPolarHBondContact ND1-CB 3.45Å; H271-R274 PolarHBondContact ND1-N 3.48Å; H271-R274 WeakPolarHBondContact O-CA 3.38Å; H271-R274 VanDerWaalsContact O-CB 3.29Å; H271-R274 WeakPolarHBondContact O-CB 3.28Å; H271-R274 PolarHBondContact O-N 2.73Å; V272-R274 VanDerWaalsContact C-N 3.28Å; V272-R274 PolarHBondContact O-N 3.37Å; R274-A276 VanDerWaalsContact C-N 3.31Å; R274-A276 PolarHBondContact O-N 3.33Å; R274-E277 WeakPolarHBondContact CD-OE2 3.48Å; R274-E277 IonicContact CZ-OE2 3.69Å; R274-E277 IonicContact NH1-OE2 3.85Å; R274-E277 PolarHBondContact NH1-OE2 3.17Å; R274-E277 PolarHBondContact O-N 2.61Å; R274-L278 HydrophobicContact CG-CD1 3.94Å; R274-L278 HydrophobicContact CG-CG 4.45Å; R274-L278 WeakPolarHBondContact O-CB 3.43Å; R274-L278 WeakPolarHBondContact O-CG 3.28Å; R274-L278 PolarHBondContact O-N 2.91Å
275	I	97.6	Very high	97	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.9	-41.4	171.9	-65.5	176.5	0	0	0	110.5	L258 E261 L262 L270 H271 V272 E277 L278 S279 P283 V286 I287	L258-I275 HydrophobicContact CD1-CB 4.46Å; L258-I275 HydrophobicContact CD1-CG1 4.34Å; L258-I275 HydrophobicContact CD1-CG2 4.06Å; E261-I275 HydrophobicContact CB-CG1 4.24Å; L262-I275 HydrophobicContact CD2-CD1 3.91Å; L270-I275 HydrophobicContact CD1-CD1 3.95Å; L270-I275 HydrophobicContact CD2-CD1 3.54Å; L270-I275 HydrophobicContact CG-CD1 3.78Å; H271-I275 PolarHBondContact O-N 3.39Å; V272-I275 WeakPolarHBondContact O-CB 3.38Å; V272-I275 PolarHBondContact O-N 2.81Å; I275-E277 PolarHBondContact O-N 3.48Å; I275-L278 PolarHBondContact O-N 3.04Å; I275-S279 WeakPolarHBondContact O-CB 3.24Å; I275-S279 PolarHBondContact O-N 3.47Å; I275-S279 PolarHBondContact O-OG 3.09Å; I275-P283 HydrophobicContact CG2-CB 4.08Å; I275-V286 HydrophobicContact CG2-CB 4.38Å; I275-V286 HydrophobicContact CG2-CG1 4.1Å; I275-I287 HydrophobicContact CD1-CD1 3.67Å; I275-I287 HydrophobicContact CG2-CG1 4.45Å
276	A	97.4	Very high	97.1	Very high	4 Å²	4	35.9 Å²	35.9	3%	0.033	19%	0.185	C	C	.	.	H	α-helix	trans	-60	-45.8	175.8	0	0	0	0	0	111.8	V272 F273 R274 S279 N281 P283 I329	V272-A276 PolarHBondContact O-N 2.84Å; F273-A276 WeakPolarHBondContact O-CB 3.44Å; F273-A276 PolarHBondContact O-N 3.47Å; R274-A276 VanDerWaalsContact C-N 3.31Å; R274-A276 PolarHBondContact O-N 3.33Å; A276-S279 PolarHBondContact O-OG 2.83Å; A276-N281 VanDerWaalsContact O-CA 3.27Å; A276-N281 WeakPolarHBondContact O-CA 3.45Å; A276-N281 PolarHBondContact O-N 3.23Å; A276-P283 HydrophobicContact CB-CB 4.08Å; A276-P283 HydrophobicContact CB-CG 3.84Å; A276-I329 HydrophobicContact CB-CD1 4.11Å; A276-I329 HydrophobicContact CB-CG1 4.09Å
277	E	96.6	Very high	97.1	Very high	123 Å²	123	32.6 Å²	32.6	58%	0.575	17%	0.167	S	C	*	.	H	α-helix	trans	-59.5	-48.8	175.4	-68.6	172.7	178.4	0	0	112.4	F273 R274 I275 S279	F273-E277 WeakPolarHBondContact O-CG 3.37Å; F273-E277 PolarHBondContact O-N 3.15Å; R274-E277 WeakPolarHBondContact CD-OE2 3.48Å; R274-E277 IonicContact CZ-OE2 3.69Å; R274-E277 IonicContact NH1-OE2 3.85Å; R274-E277 PolarHBondContact NH1-OE2 3.17Å; R274-E277 PolarHBondContact O-N 2.61Å; I275-E277 PolarHBondContact O-N 3.48Å; E277-S279 VanDerWaalsContact C-N 3.32Å; E277-S279 PolarHBondContact O-N 3.02Å
278	L	96.7	Very high	97.2	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-73.5	-21.8	-174.6	-65.8	172.2	0	0	0	113.6	T252 Q254 V257 L258 E261 R274 I275	T252-L278 VanDerWaalsContact CB-O 3.3Å; T252-L278 WeakPolarHBondContact CB-O 3.41Å; T252-L278 PolarHBondContact OG1-O 2.99Å; Q254-L278 HydrophobicContact CB-CD2 3.9Å; Q254-L278 HydrophobicContact CG-CD2 4.43Å; V257-L278 HydrophobicContact CB-CD1 4.31Å; V257-L278 HydrophobicContact CB-CD2 4.16Å; V257-L278 HydrophobicContact CG1-CD1 3.78Å; V257-L278 HydrophobicContact CG1-CD2 3.93Å; L258-L278 HydrophobicContact CB-CB 4.27Å; L258-L278 HydrophobicContact CB-CD1 4.48Å; L258-L278 HydrophobicContact CD1-CB 4.12Å; E261-L278 HydrophobicContact CG-CD1 3.77Å; R274-L278 HydrophobicContact CG-CD1 3.94Å; R274-L278 HydrophobicContact CG-CG 4.45Å; R274-L278 WeakPolarHBondContact O-CB 3.43Å; R274-L278 WeakPolarHBondContact O-CG 3.28Å; R274-L278 PolarHBondContact O-N 2.91Å; I275-L278 PolarHBondContact O-N 3.04Å
279	S	95.7	Very high	97.2	Very high	4 Å²	4	24.4 Å²	24.4	3%	0.028	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	0.9	-177.5	60.6	0	0	0	0	114.2	I275 A276 E277 R282	I275-S279 WeakPolarHBondContact O-CB 3.24Å; I275-S279 PolarHBondContact O-N 3.47Å; I275-S279 PolarHBondContact O-OG 3.09Å; A276-S279 PolarHBondContact O-OG 2.83Å; E277-S279 VanDerWaalsContact C-N 3.32Å; E277-S279 PolarHBondContact O-N 3.02Å; S279-R282 VanDerWaalsContact OG-C 3.23Å; S279-R282 PolarHBondContact OG-N 3.11Å; S279-R282 VanDerWaalsContact OG-N 3.07Å
280	G	94.5	Very high	97.3	Very high	61 Å²	61	24.1 Å²	24.1	63%	0.629	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.4	40.2	-172.9	0	0	0	0	0	112.5	R282	G280-R282 VanDerWaalsContact C-N 3.34Å
281	N	96.1	Very high	97.4	Very high	79 Å²	79	23.9 Å²	23.9	42%	0.422	13%	0.127	S	C	.	.	S	Bend	trans	60.7	38.5	-174.7	-156.3	51.2	0	0	0	113.5	A276 N328	A276-N281 VanDerWaalsContact O-CA 3.27Å; A276-N281 WeakPolarHBondContact O-CA 3.45Å; A276-N281 PolarHBondContact O-N 3.23Å; N281-N328 PolarHBondContact O-ND2 3.16Å
282	R	97.3	Very high	97.4	Very high	59 Å²	59	21 Å²	21	22%	0.223	11%	0.113	C	C	.	.			trans	-122.4	49.3	175.3	-67.4	-164.7	175.7	-82.4	-2.6	114	V250 S279 G280 L284 V286 E316 D317	V250-R282 HydrophobicContact CG1-CB 3.85Å; S279-R282 VanDerWaalsContact OG-C 3.23Å; S279-R282 PolarHBondContact OG-N 3.11Å; S279-R282 VanDerWaalsContact OG-N 3.07Å; G280-R282 VanDerWaalsContact C-N 3.34Å; R282-L284 VanDerWaalsContact C-N 3.34Å; R282-L284 PolarHBondContact O-N 3.04Å; R282-V286 WeakPolarHBondContact O-CG2 3.02Å; R282-V286 PolarHBondContact O-N 3.25Å; R282-E316 WeakPolarHBondContact CA-OE1 3.5Å; R282-E316 WeakPolarHBondContact CA-OE2 3.43Å; R282-E316 WeakPolarHBondContact CB-OE2 3.48Å; R282-E316 IonicContact NH1-OE2 2.88Å; R282-D317 IonicContact CZ-OD1 3.35Å; R282-D317 IonicContact NH1-OD1 2.64Å; R282-D317 PolarHBondContact NH1-OD1 2.9Å; R282-D317 IonicContact NH2-OD1 3.48Å; R282-D317 PolarHBondContact NH2-OD1 2.8Å
283	P	98.1	Very high	97.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.7	-35.8	-177.6	29.4	-37	0	0	0	113.1	V272 I275 A276 V286 I287 E316 I329 A332	V272-P283 HydrophobicContact CG2-CB 4.49Å; I275-P283 HydrophobicContact CG2-CB 4.08Å; A276-P283 HydrophobicContact CB-CB 4.08Å; A276-P283 HydrophobicContact CB-CG 3.84Å; P283-V286 PolarHBondContact O-N 3.05Å; P283-I287 WeakPolarHBondContact O-CB 3.3Å; P283-I287 VanDerWaalsContact O-CG1 3.28Å; P283-I287 WeakPolarHBondContact O-CG1 3.35Å; P283-I287 PolarHBondContact O-N 2.98Å; P283-E316 WeakPolarHBondContact CD-OE1 3.33Å; P283-I329 HydrophobicContact CG-CB 4.45Å; P283-I329 HydrophobicContact CG-CG1 4.06Å; P283-A332 HydrophobicContact CB-CB 3.9Å; P283-A332 HydrophobicContact CG-CB 4.25Å
284	L	98.6	Very high	97.4	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-66.1	-44.9	-176.3	179.5	61.7	0	0	0	110.6	R282 V286 M288 L315 E316 Y319 N328 A331 A332 V335 A364	R282-L284 VanDerWaalsContact C-N 3.34Å; R282-L284 PolarHBondContact O-N 3.04Å; L284-V286 VanDerWaalsContact C-N 3.34Å; L284-V286 PolarHBondContact O-N 3.49Å; L284-M288 HydrophobicContact CD1-CG 3.88Å; L284-M288 HydrophobicContact CG-CG 4.44Å; L284-M288 VanDerWaalsContact O-CB 3.22Å; L284-M288 WeakPolarHBondContact O-CB 3.43Å; L284-M288 WeakPolarHBondContact O-CG 3.33Å; L284-M288 PolarHBondContact O-N 3Å; L284-L315 HydrophobicContact CD2-CD2 4.05Å; L284-L315 HydrophobicContact CD2-CG 4.18Å; L284-E316 HydrophobicContact CB-CG 4.31Å; L284-E316 WeakPolarHBondContact CB-OE1 3.37Å; L284-E316 HydrophobicContact CD2-CB 4.45Å; L284-E316 PolarHBondContact N-OE1 3.07Å; L284-Y319 HydrophobicContact CD2-CD2 3.99Å; L284-Y319 HydrophobicContact CD2-CE2 3.73Å; L284-N328 HydrophobicContact CB-CB 4.36Å; L284-A331 HydrophobicContact CD1-CB 4.14Å; L284-A331 HydrophobicContact CD2-CB 4.18Å; L284-A332 HydrophobicContact CB-CB 4.29Å; L284-A332 HydrophobicContact CD1-CB 4.48Å; L284-V335 HydrophobicContact CD1-CG2 4.06Å; L284-A364 HydrophobicContact CD1-CB 4.26Å
285	T	98.2	Very high	97.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60.1	-45.2	176.1	-61.9	0	0	0	0	111.3	V250 H289 L312 M313 E316	V250-T285 HydrophobicContact CG1-CG2 3.74Å; T285-H289 WeakPolarHBondContact O-CB 3.49Å; T285-H289 PolarHBondContact O-N 3.12Å; T285-L312 HydrophobicContact CG2-CB 4.1Å; T285-L312 HydrophobicContact CG2-CD1 4.44Å; T285-M313 HydrophobicContact CG2-CG 4.45Å; T285-E316 VanDerWaalsContact CB-OE2 3.27Å; T285-E316 WeakPolarHBondContact CB-OE2 3.46Å; T285-E316 PolarHBondContact N-OE2 3.29Å; T285-E316 PolarHBondContact OG1-OE2 2.83Å
286	V	98.1	Very high	97.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64.8	-49.3	-179	170.2	0	0	0	0	112	F248 V250 L258 L262 I275 R282 P283 L284 T290	F248-V286 HydrophobicContact CB-CG1 4.34Å; F248-V286 HydrophobicContact CB-CG2 4.5Å; V250-V286 HydrophobicContact CB-CG2 4.23Å; V250-V286 HydrophobicContact CG1-CG2 3.83Å; V250-V286 HydrophobicContact CG2-CG2 3.34Å; L258-V286 HydrophobicContact CD1-CG1 4.2Å; L258-V286 HydrophobicContact CD2-CG1 4.18Å; L258-V286 HydrophobicContact CD2-CG2 4.23Å; L258-V286 HydrophobicContact CG-CG1 4.48Å; L262-V286 HydrophobicContact CD1-CG1 3.76Å; L262-V286 HydrophobicContact CD2-CG1 4Å; L262-V286 HydrophobicContact CG-CG1 4.41Å; I275-V286 HydrophobicContact CG2-CB 4.38Å; I275-V286 HydrophobicContact CG2-CG1 4.1Å; R282-V286 WeakPolarHBondContact O-CG2 3.02Å; R282-V286 PolarHBondContact O-N 3.25Å; P283-V286 PolarHBondContact O-N 3.05Å; L284-V286 VanDerWaalsContact C-N 3.34Å; L284-V286 PolarHBondContact O-N 3.49Å; V286-T290 WeakPolarHBondContact O-CB 3.34Å; V286-T290 PolarHBondContact O-N 3.21Å; V286-T290 PolarHBondContact O-OG1 3.48Å
287	I	98.5	Very high	97.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64.1	-48.6	-178.3	-72.2	-63.5	0	0	0	110.5	L262 L270 I275 P283 H289 T290 I291 A332 V335 Q336	L262-I287 HydrophobicContact CD2-CD1 4.01Å; L270-I287 HydrophobicContact CD2-CD1 3.59Å; I275-I287 HydrophobicContact CD1-CD1 3.67Å; I275-I287 HydrophobicContact CG2-CG1 4.45Å; P283-I287 WeakPolarHBondContact O-CB 3.3Å; P283-I287 VanDerWaalsContact O-CG1 3.28Å; P283-I287 WeakPolarHBondContact O-CG1 3.35Å; P283-I287 PolarHBondContact O-N 2.98Å; I287-H289 PolarHBondContact O-N 3.36Å; I287-T290 PolarHBondContact O-N 2.82Å; I287-I291 HydrophobicContact CG2-CD1 3.53Å; I287-I291 HydrophobicContact CG2-CG1 4.49Å; I287-I291 WeakPolarHBondContact O-CB 3.47Å; I287-I291 WeakPolarHBondContact O-CG1 3.18Å; I287-I291 PolarHBondContact O-N 3.44Å; I287-A332 HydrophobicContact CB-CB 4.47Å; I287-A332 HydrophobicContact CG1-CB 4.25Å; I287-V335 HydrophobicContact CG2-CB 4.34Å; I287-V335 HydrophobicContact CG2-CG1 3.79Å; I287-Q336 HydrophobicContact CG2-CB 3.98Å
288	M	98.4	Very high	97.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61	-46.8	178	-79.2	-73.2	-77.8	0	0	111.9	L284 T290 I291 F292 L312 V335 I360 A364	L284-M288 HydrophobicContact CD1-CG 3.88Å; L284-M288 HydrophobicContact CG-CG 4.44Å; L284-M288 VanDerWaalsContact O-CB 3.22Å; L284-M288 WeakPolarHBondContact O-CB 3.43Å; L284-M288 WeakPolarHBondContact O-CG 3.33Å; L284-M288 PolarHBondContact O-N 3Å; M288-T290 VanDerWaalsContact C-N 3.31Å; M288-T290 PolarHBondContact O-N 3.09Å; M288-I291 PolarHBondContact O-N 2.86Å; M288-F292 HydrophobicContact CE-CD2 4.29Å; M288-F292 HydrophobicContact CE-CE2 3.4Å; M288-F292 VanDerWaalsContact CE-CE2 3.4Å; M288-F292 HydrophobicContact CE-CZ 3.91Å; M288-F292 WeakPolarHBondContact O-CB 3.46Å; M288-F292 WeakPolarHBondContact O-CD2 3.3Å; M288-F292 PolarHBondContact O-N 3.15Å; M288-F292 HydrophobicContact SD-CE2 4.02Å; M288-L312 HydrophobicContact CB-CD1 3.58Å; M288-L312 HydrophobicContact CB-CD2 3.58Å; M288-L312 HydrophobicContact CB-CG 4.24Å; M288-L312 HydrophobicContact CE-CD2 3.81Å; M288-L312 HydrophobicContact CG-CD2 3.76Å; M288-V335 HydrophobicContact CG-CG1 4.12Å; M288-V335 HydrophobicContact SD-CB 4.49Å; M288-V335 HydrophobicContact SD-CG1 3.58Å; M288-V335 VanDerWaalsContact SD-CG1 3.58Å; M288-V335 HydrophobicContact SD-CG2 4.03Å; M288-I360 HydrophobicContact CE-CG2 4.22Å; M288-I360 HydrophobicContact SD-CG2 3.64Å; M288-A364 HydrophobicContact CE-CB 3.64Å; M288-A364 HydrophobicContact CG-CB 4.25Å; M288-A364 HydrophobicContact SD-CB 3.72Å
289	H	97.5	Very high	97.5	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.009	17%	0.172	C	C	.	.	H	α-helix	trans	-59.9	-43.1	178.2	178.7	-90.7	0	0	0	111.7	R247 T285 I287 Q293	R247-H289 PolarHBondContact O-CE1 3.21Å; T285-H289 WeakPolarHBondContact O-CB 3.49Å; T285-H289 PolarHBondContact O-N 3.12Å; I287-H289 PolarHBondContact O-N 3.36Å; H289-Q293 PolarHBondContact CE1-NE2 3.14Å; H289-Q293 PolarHBondContact CE1-OE1 2.95Å; H289-Q293 WeakPolarHBondContact O-CG 3.47Å; H289-Q293 PolarHBondContact O-N 3.23Å
290	T	97.8	Very high	97.6	Very high	14 Å²	14	36.1 Å²	36.1	9%	0.086	19%	0.189	C	C	.	.	H	α-helix	trans	-65.2	-47.5	178.6	-54.7	0	0	0	0	111.3	L262 V265 V286 I287 M288 F292 Q293 E294	L262-T290 HydrophobicContact CD2-CG2 4.43Å; V265-T290 HydrophobicContact CG1-CG2 4.3Å; V265-T290 HydrophobicContact CG2-CG2 4.24Å; V286-T290 WeakPolarHBondContact O-CB 3.34Å; V286-T290 PolarHBondContact O-N 3.21Å; V286-T290 PolarHBondContact O-OG1 3.48Å; I287-T290 PolarHBondContact O-N 2.82Å; M288-T290 VanDerWaalsContact C-N 3.31Å; M288-T290 PolarHBondContact O-N 3.09Å; T290-F292 VanDerWaalsContact C-N 3.34Å; T290-F292 PolarHBondContact O-N 3.39Å; T290-Q293 WeakPolarHBondContact O-CB 3.39Å; T290-Q293 PolarHBondContact O-N 3.29Å; T290-Q293 VanDerWaalsContact O-N 3.15Å; T290-E294 WeakPolarHBondContact O-CB 3.46Å; T290-E294 PolarHBondContact O-N 3.38Å
291	I	98.4	Very high	97.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.4	-39.1	178.6	-73.2	164.9	0	0	0	111.9	V265 I287 M288 Q293 E294 R295 V335 H339 I360	V265-I291 HydrophobicContact CG2-CG1 4.09Å; I287-I291 HydrophobicContact CG2-CD1 3.53Å; I287-I291 HydrophobicContact CG2-CG1 4.49Å; I287-I291 WeakPolarHBondContact O-CB 3.47Å; I287-I291 WeakPolarHBondContact O-CG1 3.18Å; I287-I291 PolarHBondContact O-N 3.44Å; M288-I291 PolarHBondContact O-N 2.86Å; I291-Q293 PolarHBondContact O-N 2.95Å; I291-E294 PolarHBondContact O-N 3.48Å; I291-R295 HydrophobicContact CG2-CG 4.47Å; I291-R295 WeakPolarHBondContact O-CB 3.5Å; I291-R295 PolarHBondContact O-N 2.92Å; I291-V335 HydrophobicContact CD1-CG1 3.63Å; I291-H339 HydrophobicContact CD1-CB 3.63Å; I291-H339 HydrophobicContact CG1-CB 4.09Å; I291-H339 HydrophobicContact CG2-CB 4.32Å; I291-H339 WeakPolarHBondContact CG2-ND1 3.42Å; I291-I360 HydrophobicContact CG2-CD1 4.22Å; I291-I360 HydrophobicContact CG2-CG1 4.4Å; I291-I360 HydrophobicContact CG2-CG2 4.19Å
292	F	98.1	Very high	97.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64.7	-29.9	177	-91.4	-122.7	0	0	0	112.7	M288 T290 D296 L297 L298 I303 L308 L357 I360	M288-F292 HydrophobicContact CE-CD2 4.29Å; M288-F292 HydrophobicContact CE-CE2 3.4Å; M288-F292 VanDerWaalsContact CE-CE2 3.4Å; M288-F292 HydrophobicContact CE-CZ 3.91Å; M288-F292 WeakPolarHBondContact O-CB 3.46Å; M288-F292 WeakPolarHBondContact O-CD2 3.3Å; M288-F292 PolarHBondContact O-N 3.15Å; M288-F292 HydrophobicContact SD-CE2 4.02Å; T290-F292 VanDerWaalsContact C-N 3.34Å; T290-F292 PolarHBondContact O-N 3.39Å; F292-D296 PolarHBondContact O-N 3.4Å; F292-L297 HydrophobicContact CD1-CB 4.12Å; F292-L297 HydrophobicContact CD2-CD1 4.23Å; F292-L297 HydrophobicContact CE2-CD1 4.36Å; F292-L297 HydrophobicContact CG-CB 4.35Å; F292-L297 HydrophobicContact CG-CD1 4.38Å; F292-L297 PolarHBondContact O-N 2.98Å; F292-L298 HydrophobicContact CB-CD2 4.45Å; F292-L298 HydrophobicContact CB-CG 4.1Å; F292-L298 HydrophobicContact CD1-CD2 4.16Å; F292-L298 HydrophobicContact CD1-CG 4.48Å; F292-I303 HydrophobicContact CD1-CD1 4.31Å; F292-I303 HydrophobicContact CE1-CD1 3.82Å; F292-L308 HydrophobicContact CB-CD2 3.96Å; F292-L308 HydrophobicContact CD1-CD1 3.95Å; F292-L308 HydrophobicContact CD1-CD2 3.7Å; F292-L308 HydrophobicContact CD1-CG 4.49Å; F292-L308 HydrophobicContact CE1-CD1 3.77Å; F292-L308 HydrophobicContact CE1-CD2 4.38Å; F292-L308 HydrophobicContact CG-CD2 3.91Å; F292-L308 HydrophobicContact CZ-CD1 4.22Å; F292-L357 HydrophobicContact CE1-CD1 3.96Å; F292-L357 HydrophobicContact CZ-CD1 3.73Å; F292-I360 HydrophobicContact CD2-CG2 4.44Å; F292-I360 HydrophobicContact CE2-CG2 3.83Å
293	Q	96.7	Very high	97.9	Very high	94 Å²	94	35 Å²	35	44%	0.439	16%	0.164	S	C	.	.	H	α-helix	trans	-77.5	-47.3	172.5	-71.4	-177.9	-31.5	0	0	111.6	H289 T290 I291 R295 D296 L298	H289-Q293 PolarHBondContact CE1-NE2 3.14Å; H289-Q293 PolarHBondContact CE1-OE1 2.95Å; H289-Q293 WeakPolarHBondContact O-CG 3.47Å; H289-Q293 PolarHBondContact O-N 3.23Å; T290-Q293 WeakPolarHBondContact O-CB 3.39Å; T290-Q293 PolarHBondContact O-N 3.29Å; T290-Q293 VanDerWaalsContact O-N 3.15Å; I291-Q293 PolarHBondContact O-N 2.95Å; Q293-R295 VanDerWaalsContact C-N 3.32Å; Q293-R295 PolarHBondContact O-N 3.18Å; Q293-D296 PolarHBondContact O-N 2.81Å; Q293-L298 HydrophobicContact CG-CD1 3.76Å
294	E	97	Very high	97.9	Very high	106 Å²	106	37.4 Å²	37.4	50%	0.495	18%	0.18	S	C	.	.	H	α-helix	trans	-58.8	-42.3	-179.1	-172.3	66.4	-171.6	0	0	111.8	N266 T290 I291 D296	N266-E294 PolarHBondContact ND2-OE1 3.48Å; T290-E294 WeakPolarHBondContact O-CB 3.46Å; T290-E294 PolarHBondContact O-N 3.38Å; I291-E294 PolarHBondContact O-N 3.48Å; E294-D296 VanDerWaalsContact C-N 3.34Å
295	R	97.5	Very high	97.7	Very high	50 Å²	50	39.6 Å²	39.6	19%	0.189	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	5.4	177.8	-65.1	-171.9	169.6	-71.1	-9.4	114.3	I291 Q293 L297 H339 L342 S343	I291-R295 HydrophobicContact CG2-CG 4.47Å; I291-R295 WeakPolarHBondContact O-CB 3.5Å; I291-R295 PolarHBondContact O-N 2.92Å; Q293-R295 VanDerWaalsContact C-N 3.32Å; Q293-R295 PolarHBondContact O-N 3.18Å; R295-L297 HydrophobicContact CB-CD1 4.13Å; R295-L297 HydrophobicContact CB-CD2 4.38Å; R295-L297 HydrophobicContact CB-CG 3.79Å; R295-L297 PolarHBondContact O-N 3Å; R295-H339 PolarHBondContact NE-CE1 3.21Å; R295-H339 PolarHBondContact NE-ND1 3.19Å; R295-H339 PolarHBondContact NH2-O 3.38Å; R295-L342 VanDerWaalsContact NH2-CB 3.31Å; R295-S343 PolarHBondContact NH2-OG 2.88Å
296	D	97.9	Very high	97.6	Very high	63 Å²	63	41.4 Å²	41.4	34%	0.337	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	21.8	-175.7	-152.7	28.6	0	0	0	115.8	F292 Q293 E294 L298 K299 T300	F292-D296 PolarHBondContact O-N 3.4Å; Q293-D296 PolarHBondContact O-N 2.81Å; E294-D296 VanDerWaalsContact C-N 3.34Å; D296-L298 PolarHBondContact O-N 2.88Å; D296-K299 PolarHBondContact O-N 3.41Å; D296-K299 VanDerWaalsContact O-N 3.09Å; D296-K299 WeakPolarHBondContact OD1-CB 3.23Å; D296-K299 VanDerWaalsContact OD1-CD 3.32Å; D296-K299 WeakPolarHBondContact OD1-CD 3.43Å; D296-K299 WeakPolarHBondContact OD1-CE 3.32Å; D296-K299 WeakPolarHBondContact OD1-CG 3.22Å; D296-K299 IonicContact OD1-NZ 3.1Å; D296-K299 PolarHBondContact OD1-NZ 3.05Å; D296-K299 IonicContact OD2-NZ 3.24Å; D296-T300 PolarHBondContact O-N 2.93Å; D296-T300 PolarHBondContact O-OG1 3.35Å; D296-T300 VanDerWaalsContact O-OG1 3.11Å
297	L	98.3	Very high	97.5	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-61.6	-31.9	-175.7	-63.1	174.9	0	0	0	112.5	F292 R295 K299 F301 I356 L357	F292-L297 HydrophobicContact CD1-CB 4.12Å; F292-L297 HydrophobicContact CD2-CD1 4.23Å; F292-L297 HydrophobicContact CE2-CD1 4.36Å; F292-L297 HydrophobicContact CG-CB 4.35Å; F292-L297 HydrophobicContact CG-CD1 4.38Å; F292-L297 PolarHBondContact O-N 2.98Å; R295-L297 HydrophobicContact CB-CD1 4.13Å; R295-L297 HydrophobicContact CB-CD2 4.38Å; R295-L297 HydrophobicContact CB-CG 3.79Å; R295-L297 PolarHBondContact O-N 3Å; L297-K299 VanDerWaalsContact C-N 3.34Å; L297-K299 PolarHBondContact O-N 3.42Å; L297-F301 HydrophobicContact CB-CD2 4.4Å; L297-F301 HydrophobicContact CD2-CD2 4.23Å; L297-F301 HydrophobicContact CD2-CE2 3.84Å; L297-F301 PolarHBondContact O-N 3.37Å; L297-I356 HydrophobicContact CD2-CG2 4.23Å; L297-L357 HydrophobicContact CD1-CD1 4.45Å
298	L	97.5	Very high	97.4	Very high	20 Å²	20	41.6 Å²	41.6	11%	0.105	20%	0.204	C	C	.	.	H	α-helix	trans	-57.1	-46.3	174.9	-69.7	171.7	0	0	0	111.9	F292 Q293 D296 K302 I303 V305 L308	F292-L298 HydrophobicContact CB-CD2 4.45Å; F292-L298 HydrophobicContact CB-CG 4.1Å; F292-L298 HydrophobicContact CD1-CD2 4.16Å; F292-L298 HydrophobicContact CD1-CG 4.48Å; Q293-L298 HydrophobicContact CG-CD1 3.76Å; D296-L298 PolarHBondContact O-N 2.88Å; L298-K302 CarbonylContact O-C 3.55Å; L298-K302 VanDerWaalsContact O-CA 3.26Å; L298-K302 WeakPolarHBondContact O-CA 3.33Å; L298-K302 PolarHBondContact O-N 3.44Å; L298-I303 HydrophobicContact CD2-CB 4.05Å; L298-I303 HydrophobicContact CD2-CG2 4.33Å; L298-I303 PolarHBondContact O-N 3.04Å; L298-V305 HydrophobicContact CD1-CG2 4.19Å; L298-L308 HydrophobicContact CD2-CB 4.37Å; L298-L308 HydrophobicContact CD2-CD2 3.6Å
299	K	97.9	Very high	97.3	Very high	149 Å²	149	41.6 Å²	41.6	65%	0.648	20%	0.204	S	C	*	.	H	α-helix	trans	-76.8	-45.9	-179.6	-62.6	-164	-156	95.8	0	110.8	D296 L297 F301 K302	D296-K299 PolarHBondContact O-N 3.41Å; D296-K299 VanDerWaalsContact O-N 3.09Å; D296-K299 WeakPolarHBondContact OD1-CB 3.23Å; D296-K299 VanDerWaalsContact OD1-CD 3.32Å; D296-K299 WeakPolarHBondContact OD1-CD 3.43Å; D296-K299 WeakPolarHBondContact OD1-CE 3.32Å; D296-K299 WeakPolarHBondContact OD1-CG 3.22Å; D296-K299 IonicContact OD1-NZ 3.1Å; D296-K299 PolarHBondContact OD1-NZ 3.05Å; D296-K299 IonicContact OD2-NZ 3.24Å; L297-K299 VanDerWaalsContact C-N 3.34Å; L297-K299 PolarHBondContact O-N 3.42Å; K299-F301 VanDerWaalsContact C-N 3.29Å; K299-F301 PolarHBondContact O-N 3.15Å; K299-K302 PolarHBondContact O-N 3.38Å
300	T	98.1	Very high	97.3	Very high	61 Å²	61	41.6 Å²	41.6	37%	0.374	21%	0.205	S	C	.	.	H	α-helix	trans	-54.5	-45.3	-179.2	-59.7	0	0	0	0	111.9	D296 D353	D296-T300 PolarHBondContact O-N 2.93Å; D296-T300 PolarHBondContact O-OG1 3.35Å; D296-T300 VanDerWaalsContact O-OG1 3.11Å; T300-D353 HydrophobicContact CG2-CB 3.9Å
301	F	98.2	Very high	97.3	Very high	14 Å²	14	41 Å²	41	6%	0.061	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	7	-178.1	-63	-64.1	0	0	0	114.5	L297 K299 I303 D353 L354 L357 L418	L297-F301 HydrophobicContact CB-CD2 4.4Å; L297-F301 HydrophobicContact CD2-CD2 4.23Å; L297-F301 HydrophobicContact CD2-CE2 3.84Å; L297-F301 PolarHBondContact O-N 3.37Å; K299-F301 VanDerWaalsContact C-N 3.29Å; K299-F301 PolarHBondContact O-N 3.15Å; F301-I303 VanDerWaalsContact C-N 3.27Å; F301-I303 HydrophobicContact CB-CD1 3.99Å; F301-I303 HydrophobicContact CB-CG1 3.81Å; F301-I303 PolarHBondContact O-N 2.87Å; F301-D353 HydrophobicContact CE2-CB 3.93Å; F301-D353 WeakPolarHBondContact CE2-O 3.44Å; F301-D353 VanDerWaalsContact CZ-C 3.44Å; F301-D353 HydrophobicContact CZ-CB 3.63Å; F301-D353 WeakPolarHBondContact CZ-O 3.24Å; F301-L354 HydrophobicContact CE1-CD1 3.96Å; F301-L354 HydrophobicContact CZ-CB 4.29Å; F301-L354 HydrophobicContact CZ-CD1 4.25Å; F301-L357 HydrophobicContact CD1-CD2 4.34Å; F301-L357 HydrophobicContact CD2-CB 4.33Å; F301-L357 HydrophobicContact CD2-CD2 3.64Å; F301-L357 HydrophobicContact CD2-CG 4.41Å; F301-L357 HydrophobicContact CE1-CD2 4.45Å; F301-L357 HydrophobicContact CE2-CB 3.78Å; F301-L357 HydrophobicContact CE2-CD2 3.78Å; F301-L357 HydrophobicContact CE2-CG 4.32Å; F301-L357 HydrophobicContact CG-CD2 3.92Å; F301-L357 HydrophobicContact CZ-CB 4.31Å; F301-L357 HydrophobicContact CZ-CD2 4.19Å; F301-L418 HydrophobicContact CB-CD2 3.92Å; F301-L418 HydrophobicContact CD1-CD2 3.25Å; F301-L418 HydrophobicContact CE1-CD2 4.05Å; F301-L418 HydrophobicContact CG-CD2 3.9Å
302	K	98.2	Very high	97.2	Very high	152 Å²	152	41 Å²	41	66%	0.661	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	42.4	179	-54.9	176	-177	174.5	0	112.3	L298 K299 P304 N417	L298-K302 CarbonylContact O-C 3.55Å; L298-K302 VanDerWaalsContact O-CA 3.26Å; L298-K302 WeakPolarHBondContact O-CA 3.33Å; L298-K302 PolarHBondContact O-N 3.44Å; K299-K302 PolarHBondContact O-N 3.38Å; K302-P304 WeakPolarHBondContact O-CD 3.24Å; K302-N417 HydrophobicContact CB-CB 4.13Å; K302-N417 PolarHBondContact O-ND2 2.97Å
303	I	97.9	Very high	97.1	Very high	8 Å²	8	42 Å²	42	4%	0.041	21%	0.206	C	C	.	.			trans	-83	117.3	-178.5	-51.3	-179.4	0	0	0	108	F292 L298 F301 V305 L308 I414	F292-I303 HydrophobicContact CD1-CD1 4.31Å; F292-I303 HydrophobicContact CE1-CD1 3.82Å; L298-I303 HydrophobicContact CD2-CB 4.05Å; L298-I303 HydrophobicContact CD2-CG2 4.33Å; L298-I303 PolarHBondContact O-N 3.04Å; F301-I303 VanDerWaalsContact C-N 3.27Å; F301-I303 HydrophobicContact CB-CD1 3.99Å; F301-I303 HydrophobicContact CB-CG1 3.81Å; F301-I303 PolarHBondContact O-N 2.87Å; I303-V305 PolarHBondContact O-N 2.82Å; I303-L308 HydrophobicContact CG2-CB 4.12Å; I303-I414 WeakPolarHBondContact CG1-O 3.41Å; I303-I414 HydrophobicContact CG2-CB 3.94Å; I303-I414 HydrophobicContact CG2-CG2 4.13Å
304	P	96.4	Very high	97.1	Very high	52 Å²	52	37.8 Å²	37.8	34%	0.338	19%	0.186	S	C	.	.			trans	-62.4	131.6	173.3	-18.5	32.1	0	0	0	109.9	K302 D306 T307 L308	K302-P304 WeakPolarHBondContact O-CD 3.24Å; P304-D306 PolarHBondContact O-N 3.49Å; P304-T307 WeakPolarHBondContact O-CB 3.39Å; P304-T307 PolarHBondContact O-N 3.1Å; P304-L308 PolarHBondContact O-N 3.46Å
305	V	95.6	Very high	97.2	Very high	45 Å²	45	32.7 Å²	32.7	27%	0.273	16%	0.163	S	C	.	.	H	α-helix	trans	-57.7	-38	-177.1	-174.6	0	0	0	0	111.6	I245 L298 I303 L308 I309	I245-V305 HydrophobicContact CD1-CB 3.87Å; I245-V305 HydrophobicContact CD1-CG1 3.89Å; I245-V305 HydrophobicContact CG2-CG1 3.98Å; L298-V305 HydrophobicContact CD1-CG2 4.19Å; I303-V305 PolarHBondContact O-N 2.82Å; V305-L308 PolarHBondContact O-N 3.39Å; V305-I309 HydrophobicContact CG1-CD1 3.86Å; V305-I309 HydrophobicContact CG1-CG1 4.44Å; V305-I309 WeakPolarHBondContact O-CG1 3.37Å; V305-I309 PolarHBondContact O-N 3.03Å
306	D	95	Very high	97.2	Very high	39 Å²	39	30.7 Å²	30.7	21%	0.209	16%	0.155	C	C	.	.	H	α-helix	trans	-60.8	-43.8	175.3	-179	55.4	0	0	0	112.8	L240 I245 P304 I309 T310 N411	L240-D306 WeakPolarHBondContact CB-OD1 3.38Å; I245-D306 HydrophobicContact CD1-CB 4.43Å; P304-D306 PolarHBondContact O-N 3.49Å; D306-I309 PolarHBondContact O-N 3.49Å; D306-T310 WeakPolarHBondContact O-CB 3.3Å; D306-T310 PolarHBondContact O-N 2.87Å; D306-T310 PolarHBondContact O-OG1 3.42Å; D306-N411 PolarHBondContact OD2-ND2 2.8Å
307	T	96.4	Very high	97.2	Very high	3 Å²	3	29.6 Å²	29.6	2%	0.018	15%	0.15	C	C	.	.	H	α-helix	trans	-64.9	-40.8	175.2	-53.3	0	0	0	0	111.1	P304 Y311 N411 I414	P304-T307 WeakPolarHBondContact O-CB 3.39Å; P304-T307 PolarHBondContact O-N 3.1Å; T307-Y311 WeakPolarHBondContact O-CB 3.29Å; T307-Y311 PolarHBondContact O-N 2.94Å; T307-N411 WeakPolarHBondContact CA-O 3.5Å; T307-N411 VanDerWaalsContact CG2-O 3.3Å; T307-N411 WeakPolarHBondContact CG2-O 3.02Å; T307-N411 PolarHBondContact OG1-OD1 3Å; T307-I414 HydrophobicContact CG2-CG2 4.2Å
308	L	97.5	Very high	97.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60.4	-52.5	175.4	178.2	65.3	0	0	0	111.1	F292 L298 I303 P304 V305 T310 Y311 L312 I414	F292-L308 HydrophobicContact CB-CD2 3.96Å; F292-L308 HydrophobicContact CD1-CD1 3.95Å; F292-L308 HydrophobicContact CD1-CD2 3.7Å; F292-L308 HydrophobicContact CD1-CG 4.49Å; F292-L308 HydrophobicContact CE1-CD1 3.77Å; F292-L308 HydrophobicContact CE1-CD2 4.38Å; F292-L308 HydrophobicContact CG-CD2 3.91Å; F292-L308 HydrophobicContact CZ-CD1 4.22Å; L298-L308 HydrophobicContact CD2-CB 4.37Å; L298-L308 HydrophobicContact CD2-CD2 3.6Å; I303-L308 HydrophobicContact CG2-CB 4.12Å; P304-L308 PolarHBondContact O-N 3.46Å; V305-L308 PolarHBondContact O-N 3.39Å; L308-T310 VanDerWaalsContact C-N 3.33Å; L308-T310 PolarHBondContact O-N 3.08Å; L308-Y311 PolarHBondContact O-N 3.39Å; L308-L312 HydrophobicContact CD1-CD1 3.8Å; L308-L312 HydrophobicContact CD1-CD2 4.43Å; L308-L312 HydrophobicContact CD1-CG 3.91Å; L308-L312 HydrophobicContact CD2-CD1 4.22Å; L308-L312 HydrophobicContact CG-CD1 3.69Å; L308-L312 HydrophobicContact CG-CG 4.18Å; L308-L312 WeakPolarHBondContact O-CB 3.22Å; L308-L312 VanDerWaalsContact O-CG 3.27Å; L308-L312 WeakPolarHBondContact O-CG 3.17Å; L308-L312 PolarHBondContact O-N 3.45Å; L308-I414 HydrophobicContact CB-CG2 4.44Å; L308-I414 HydrophobicContact CD1-CG2 4.16Å
309	I	96.3	Very high	97.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.6	-40.9	-178	-67.1	167.6	0	0	0	110.7	L240 I245 V305 D306 Y311 L312 M313	L240-I309 HydrophobicContact CD1-CB 4.49Å; L240-I309 HydrophobicContact CD1-CG2 4.03Å; L240-I309 HydrophobicContact CD2-CG2 4.4Å; I245-I309 HydrophobicContact CG2-CD1 3.29Å; V305-I309 HydrophobicContact CG1-CD1 3.86Å; V305-I309 HydrophobicContact CG1-CG1 4.44Å; V305-I309 WeakPolarHBondContact O-CG1 3.37Å; V305-I309 PolarHBondContact O-N 3.03Å; D306-I309 PolarHBondContact O-N 3.49Å; I309-Y311 VanDerWaalsContact C-N 3.35Å; I309-Y311 PolarHBondContact O-N 3.2Å; I309-L312 PolarHBondContact O-N 3.22Å; I309-M313 HydrophobicContact CG2-CE 3.65Å; I309-M313 HydrophobicContact CG2-CG 4.08Å; I309-M313 HydrophobicContact CG2-SD 3.92Å; I309-M313 WeakPolarHBondContact O-CB 3.14Å; I309-M313 WeakPolarHBondContact O-CG 3.31Å; I309-M313 PolarHBondContact O-N 3.41Å
310	T	95.9	Very high	97.2	Very high	3 Å²	3	24.6 Å²	24.6	2%	0.018	13%	0.127	C	C	.	.	H	α-helix	trans	-60.4	-45.4	177.3	-55.2	0	0	0	0	111.1	L234 L240 D306 L308 T314 N411	L234-T310 HydrophobicContact CD2-CG2 4.06Å; L240-T310 WeakPolarHBondContact CD1-OG1 3.18Å; D306-T310 WeakPolarHBondContact O-CB 3.3Å; D306-T310 PolarHBondContact O-N 2.87Å; D306-T310 PolarHBondContact O-OG1 3.42Å; L308-T310 VanDerWaalsContact C-N 3.33Å; L308-T310 PolarHBondContact O-N 3.08Å; T310-T314 WeakPolarHBondContact O-CB 3.13Å; T310-T314 PolarHBondContact O-N 2.89Å; T310-T314 VanDerWaalsContact O-N 3.13Å; T310-T314 PolarHBondContact O-OG1 3.31Å; T310-N411 WeakPolarHBondContact CB-O 3.4Å; T310-N411 HydrophobicContact CG2-CB 4.34Å; T310-N411 PolarHBondContact OG1-ND2 3.31Å
311	Y	97.8	Very high	97.1	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.4	-49.9	174.8	178.6	-95.6	0	0	0	111.8	T307 L308 I309 M313 T314 L315 F361 G403 L406 L407 C412 I414	T307-Y311 WeakPolarHBondContact O-CB 3.29Å; T307-Y311 PolarHBondContact O-N 2.94Å; L308-Y311 PolarHBondContact O-N 3.39Å; I309-Y311 VanDerWaalsContact C-N 3.35Å; I309-Y311 PolarHBondContact O-N 3.2Å; Y311-M313 PolarHBondContact O-N 2.86Å; Y311-T314 PolarHBondContact O-N 3.36Å; Y311-L315 HydrophobicContact CE1-CB 4.3Å; Y311-L315 HydrophobicContact CE1-CD2 3.89Å; Y311-L315 WeakPolarHBondContact O-CB 3.41Å; Y311-L315 PolarHBondContact O-N 3.43Å; Y311-F361 HydrophobicContact CE1-CD2 4.37Å; Y311-F361 AromaticContact CE1-CE2 3.58Å; Y311-F361 HydrophobicContact CE1-CE2 3.58Å; Y311-F361 HydrophobicContact CE1-CZ 4.44Å; Y311-F361 AromaticContact CZ-CE2 3.54Å; Y311-F361 AromaticContact CZ-CZ 3.96Å; Y311-F361 WeakPolarHBondContact OH-CE2 3.16Å; Y311-F361 WeakPolarHBondContact OH-CZ 3.44Å; Y311-G403 PolarHBondContact OH-O 2.94Å; Y311-G403 VanDerWaalsContact OH-O 3.12Å; Y311-L406 HydrophobicContact CD2-CB 4.39Å; Y311-L406 HydrophobicContact CE2-CB 3.8Å; Y311-L407 HydrophobicContact CD2-CD2 3.73Å; Y311-L407 HydrophobicContact CD2-CG 4.37Å; Y311-L407 HydrophobicContact CE2-CD2 3.47Å; Y311-L407 VanDerWaalsContact CE2-CD2 3.47Å; Y311-L407 HydrophobicContact CE2-CG 3.75Å; Y311-C412 HydrophobicContact CD2-CB 4.09Å; Y311-C412 VanDerWaalsContact CD2-O 3.27Å; Y311-C412 WeakPolarHBondContact CD2-O 3.27Å; Y311-I414 HydrophobicContact CD1-CD1 4.16Å; Y311-I414 HydrophobicContact CD1-CG2 4.4Å; Y311-I414 HydrophobicContact CE1-CD1 4.33Å; Y311-I414 HydrophobicContact CG-CG2 4.1Å
312	L	97.8	Very high	97	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62.9	-43.2	-177.4	-70.4	176.1	0	0	0	112.6	T285 M288 L308 I309 T314 L315 E316	T285-L312 HydrophobicContact CG2-CB 4.1Å; T285-L312 HydrophobicContact CG2-CD1 4.44Å; M288-L312 HydrophobicContact CB-CD1 3.58Å; M288-L312 HydrophobicContact CB-CD2 3.58Å; M288-L312 HydrophobicContact CB-CG 4.24Å; M288-L312 HydrophobicContact CE-CD2 3.81Å; M288-L312 HydrophobicContact CG-CD2 3.76Å; L308-L312 HydrophobicContact CD1-CD1 3.8Å; L308-L312 HydrophobicContact CD1-CD2 4.43Å; L308-L312 HydrophobicContact CD1-CG 3.91Å; L308-L312 HydrophobicContact CD2-CD1 4.22Å; L308-L312 HydrophobicContact CG-CD1 3.69Å; L308-L312 HydrophobicContact CG-CG 4.18Å; L308-L312 WeakPolarHBondContact O-CB 3.22Å; L308-L312 VanDerWaalsContact O-CG 3.27Å; L308-L312 WeakPolarHBondContact O-CG 3.17Å; L308-L312 PolarHBondContact O-N 3.45Å; I309-L312 PolarHBondContact O-N 3.22Å; L312-T314 VanDerWaalsContact C-N 3.3Å; L312-T314 PolarHBondContact O-N 2.87Å; L312-L315 PolarHBondContact O-N 3.38Å; L312-E316 VanDerWaalsContact O-CB 3.24Å; L312-E316 WeakPolarHBondContact O-CB 3.33Å; L312-E316 PolarHBondContact O-N 3.16Å
313	M	96	Very high	97	Very high	23 Å²	23	23.2 Å²	23.2	11%	0.113	14%	0.138	C	C	.	.	H	α-helix	trans	-62.8	-40.1	175.3	-72.5	-174.1	171.9	0	0	111.3	G249 T285 I309 Y311 D317	G249-M313 WeakPolarHBondContact O-CE 3.4Å; T285-M313 HydrophobicContact CG2-CG 4.45Å; I309-M313 HydrophobicContact CG2-CE 3.65Å; I309-M313 HydrophobicContact CG2-CG 4.08Å; I309-M313 HydrophobicContact CG2-SD 3.92Å; I309-M313 WeakPolarHBondContact O-CB 3.14Å; I309-M313 WeakPolarHBondContact O-CG 3.31Å; I309-M313 PolarHBondContact O-N 3.41Å; Y311-M313 PolarHBondContact O-N 2.86Å; M313-D317 WeakPolarHBondContact O-CB 3.44Å; M313-D317 PolarHBondContact O-N 3.07Å
314	T	96.2	Very high	97	Very high	4 Å²	4	23.1 Å²	23.1	3%	0.025	14%	0.139	C	C	.	.	H	α-helix	trans	-67.6	-42.9	177.1	-54	0	0	0	0	111.1	L234 T310 Y311 L312 D317 H318 L406	L234-T314 HydrophobicContact CD1-CG2 4.05Å; T310-T314 WeakPolarHBondContact O-CB 3.13Å; T310-T314 PolarHBondContact O-N 2.89Å; T310-T314 VanDerWaalsContact O-N 3.13Å; T310-T314 PolarHBondContact O-OG1 3.31Å; Y311-T314 PolarHBondContact O-N 3.36Å; L312-T314 VanDerWaalsContact C-N 3.3Å; L312-T314 PolarHBondContact O-N 2.87Å; T314-D317 PolarHBondContact O-N 3.37Å; T314-H318 PolarHBondContact O-N 2.98Å; T314-H318 PolarHBondContact O-ND1 3.25Å; T314-L406 HydrophobicContact CG2-CD1 4.5Å; T314-L406 HydrophobicContact CG2-CD2 3.96Å
315	L	98	Very high	97.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-60.1	-49.2	175.8	175.7	65.7	0	0	0	111.4	L284 Y311 L312 D317 H318 Y319 A364 I365 V368 L406	L284-L315 HydrophobicContact CD2-CD2 4.05Å; L284-L315 HydrophobicContact CD2-CG 4.18Å; Y311-L315 HydrophobicContact CE1-CB 4.3Å; Y311-L315 HydrophobicContact CE1-CD2 3.89Å; Y311-L315 WeakPolarHBondContact O-CB 3.41Å; Y311-L315 PolarHBondContact O-N 3.43Å; L312-L315 PolarHBondContact O-N 3.38Å; L315-D317 VanDerWaalsContact C-N 3.29Å; L315-D317 PolarHBondContact O-N 3.16Å; L315-H318 WeakPolarHBondContact O-CA 3.4Å; L315-H318 WeakPolarHBondContact O-CB 3.46Å; L315-H318 PolarHBondContact O-N 3.4Å; L315-Y319 HydrophobicContact CD1-CE2 4.43Å; L315-Y319 HydrophobicContact CG-CE2 4.4Å; L315-Y319 PolarHBondContact O-N 2.83Å; L315-A364 HydrophobicContact CD2-CB 4.22Å; L315-I365 HydrophobicContact CD1-CB 4.49Å; L315-I365 HydrophobicContact CD1-CG2 3.85Å; L315-I365 HydrophobicContact CD2-CG2 3.97Å; L315-V368 HydrophobicContact CD1-CB 3.89Å; L315-V368 HydrophobicContact CD1-CG1 4.4Å; L315-V368 HydrophobicContact CD1-CG2 3.56Å; L315-L406 HydrophobicContact CB-CD1 4.23Å; L315-L406 HydrophobicContact CD1-CD1 4.02Å
316	E	98.1	Very high	97.3	Very high	7 Å²	7	20.9 Å²	20.9	3%	0.033	12%	0.12	C	C	.	.	H	α-helix	trans	-64	-33.1	-179.9	-172.5	159.6	-139.7	0	0	112.4	R282 P283 L284 T285 L312 H318 Y319 N328	R282-E316 WeakPolarHBondContact CA-OE1 3.5Å; R282-E316 WeakPolarHBondContact CA-OE2 3.43Å; R282-E316 WeakPolarHBondContact CB-OE2 3.48Å; R282-E316 IonicContact NH1-OE2 2.88Å; P283-E316 WeakPolarHBondContact CD-OE1 3.33Å; L284-E316 HydrophobicContact CB-CG 4.31Å; L284-E316 WeakPolarHBondContact CB-OE1 3.37Å; L284-E316 HydrophobicContact CD2-CB 4.45Å; L284-E316 PolarHBondContact N-OE1 3.07Å; T285-E316 VanDerWaalsContact CB-OE2 3.27Å; T285-E316 WeakPolarHBondContact CB-OE2 3.46Å; T285-E316 PolarHBondContact N-OE2 3.29Å; T285-E316 PolarHBondContact OG1-OE2 2.83Å; L312-E316 VanDerWaalsContact O-CB 3.24Å; L312-E316 WeakPolarHBondContact O-CB 3.33Å; L312-E316 PolarHBondContact O-N 3.16Å; E316-H318 PolarHBondContact O-N 2.95Å; E316-Y319 PolarHBondContact O-N 2.99Å; E316-N328 HydrophobicContact CG-CB 3.76Å; E316-N328 WeakPolarHBondContact CG-ND2 3.27Å; E316-N328 PolarHBondContact OE1-ND2 3.21Å
317	D	96.9	Very high	97.4	Very high	41 Å²	41	19.4 Å²	19.4	22%	0.219	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-14.5	173.4	-69.8	-6.9	0	0	0	113.5	H236 R282 M313 T314 L315	H236-D317 IonicContact CD2-OD2 2.74Å; H236-D317 PolarHBondContact CD2-OD2 2.76Å; H236-D317 IonicContact CE1-OD2 3.46Å; H236-D317 IonicContact NE2-OD1 2.72Å; H236-D317 IonicContact NE2-OD2 2.77Å; H236-D317 PolarHBondContact NE2-OD2 3.21Å; R282-D317 IonicContact CZ-OD1 3.35Å; R282-D317 IonicContact NH1-OD1 2.64Å; R282-D317 PolarHBondContact NH1-OD1 2.9Å; R282-D317 IonicContact NH2-OD1 3.48Å; R282-D317 PolarHBondContact NH2-OD1 2.8Å; M313-D317 WeakPolarHBondContact O-CB 3.44Å; M313-D317 PolarHBondContact O-N 3.07Å; T314-D317 PolarHBondContact O-N 3.37Å; L315-D317 VanDerWaalsContact C-N 3.29Å; L315-D317 PolarHBondContact O-N 3.16Å
318	H	97.7	Very high	97.5	Very high	7 Å²	7	19.7 Å²	19.7	3%	0.032	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-4	173	-72	75.2	0	0	0	113.1	V231 K232 T314 L315 E316 H320 V368 D369	V231-H318 WeakPolarHBondContact CA-NE2 3.3Å; K232-H318 PolarHBondContact N-NE2 2.73Å; T314-H318 PolarHBondContact O-N 2.98Å; T314-H318 PolarHBondContact O-ND1 3.25Å; L315-H318 WeakPolarHBondContact O-CA 3.4Å; L315-H318 WeakPolarHBondContact O-CB 3.46Å; L315-H318 PolarHBondContact O-N 3.4Å; E316-H318 PolarHBondContact O-N 2.95Å; H318-H320 PolarHBondContact O-CD2 3.45Å; H318-V368 HydrophobicContact CB-CG2 3.6Å; H318-D369 VanDerWaalsContact O-CA 3.27Å; H318-D369 WeakPolarHBondContact O-CA 3.44Å; H318-D369 PolarHBondContact O-N 3.37Å
319	Y	98.5	Very high	97.6	Very high	10 Å²	10	20.1 Å²	20.1	4%	0.039	12%	0.116	C	C	.	.	S	Bend	trans	-81.7	130.7	162.9	-82.5	-82.4	0	0	0	109.8	L284 L315 E316 A321 N327 N328 A331 A364 D367 V368	L284-Y319 HydrophobicContact CD2-CD2 3.99Å; L284-Y319 HydrophobicContact CD2-CE2 3.73Å; L315-Y319 HydrophobicContact CD1-CE2 4.43Å; L315-Y319 HydrophobicContact CG-CE2 4.4Å; L315-Y319 PolarHBondContact O-N 2.83Å; E316-Y319 PolarHBondContact O-N 2.99Å; Y319-A321 PolarHBondContact O-N 3.41Å; Y319-N327 VanDerWaalsContact CD1-C 3.42Å; Y319-N328 HydrophobicContact CD2-CB 4.38Å; Y319-N328 HydrophobicContact CG-CB 4.14Å; Y319-A331 HydrophobicContact CE1-CB 3.78Å; Y319-A331 HydrophobicContact CE2-CB 3.84Å; Y319-A331 VanDerWaalsContact OH-CB 3.31Å; Y319-A331 WeakPolarHBondContact OH-CB 3.44Å; Y319-A364 PolarHBondContact OH-O 3.1Å; Y319-A364 VanDerWaalsContact OH-O 3.11Å; Y319-D367 HydrophobicContact CE1-CB 3.74Å; Y319-D367 VanDerWaalsContact CE1-O 3.22Å; Y319-D367 WeakPolarHBondContact CE1-O 3.21Å; Y319-D367 PolarHBondContact OH-N 3.11Å; Y319-V368 HydrophobicContact CD2-CG2 4.4Å; Y319-V368 HydrophobicContact CE2-CB 3.97Å; Y319-V368 HydrophobicContact CE2-CG2 4.24Å; Y319-V368 PolarHBondContact OH-N 3.05Å
320	H	97.7	Very high	97.7	Very high	48 Å²	48	20.1 Å²	20.1	22%	0.222	12%	0.116	C	C	.	.			trans	-78.5	116.4	-171	-69.9	-165.8	0	0	0	110.2	H318 D322 V323 D369	H318-H320 PolarHBondContact O-CD2 3.45Å; H320-D322 PolarHBondContact O-N 3.01Å; H320-V323 HydrophobicContact CB-CB 4.02Å; H320-V323 HydrophobicContact CB-CG2 3.53Å; H320-V323 PolarHBondContact O-N 2.94Å; H320-V323 VanDerWaalsContact O-N 3.08Å; H320-D369 IonicContact CD2-OD1 3.5Å; H320-D369 IonicContact CE1-OD1 3.29Å; H320-D369 IonicContact NE2-OD1 3.57Å; H320-D369 PolarHBondContact NE2-OD1 3.26Å
321	A	95.9	Very high	97.9	Very high	89 Å²	89	20 Å²	20	74%	0.736	12%	0.115	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-19.7	179.4	0	0	0	0	0	113.1	Y319	Y319-A321 PolarHBondContact O-N 3.41Å
322	D	96.9	Very high	97.9	Very high	103 Å²	103	20 Å²	20	55%	0.551	12%	0.115	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.7	3.2	174.4	62.6	-56.3	0	0	0	113.4	H320 R508	H320-D322 PolarHBondContact O-N 3.01Å; D322-R508 PolarHBondContact O-NH1 3.37Å
323	V	98.2	Very high	97.9	Very high	6 Å²	6	20 Å²	20	4%	0.036	12%	0.115	C	C	.	.			trans	-97.7	130.5	172.9	173.6	0	0	0	0	109.1	H320 H326 N327 E505	H320-V323 HydrophobicContact CB-CB 4.02Å; H320-V323 HydrophobicContact CB-CG2 3.53Å; H320-V323 PolarHBondContact O-N 2.94Å; H320-V323 VanDerWaalsContact O-N 3.08Å; V323-H326 HydrophobicContact CG1-CB 4.08Å; V323-H326 WeakPolarHBondContact CG1-O 3.49Å; V323-N327 PolarHBondContact O-ND2 3.27Å; V323-E505 WeakPolarHBondContact CG1-OE2 3.35Å
324	A	98.2	Very high	98.1	Very high	6 Å²	6	19 Å²	19	5%	0.05	11%	0.11	C	C	.	.	S	Bend	trans	-80.2	-38.9	-164	0	0	0	0	0	113.3	N327 R501 E504 E505	A324-N327 PolarHBondContact O-ND2 3.06Å; A324-R501 PolarHBondContact O-NH1 3.32Å; A324-E504 HydrophobicContact CB-CB 4Å; A324-E504 HydrophobicContact CB-CG 3.83Å; A324-E505 HydrophobicContact CB-CB 4.19Å; A324-E505 PolarHBondContact N-OE2 3.44Å
325	Y	98.7	Very high	98.2	Very high	14 Å²	14	18.8 Å²	18.8	6%	0.055	11%	0.109	C	C	.	.	S	Bend	trans	-107.8	-61.6	-179.8	179.8	-87	0	0	0	112	N327 H330 N487 W498 R501 I502 E505	Y325-N327 PolarHBondContact O-N 3.36Å; Y325-H330 AromaticContact CE1-CD2 3.88Å; Y325-H330 AromaticContact CE1-CE1 3.69Å; Y325-H330 AromaticContact CE1-CG 3.84Å; Y325-H330 AromaticContact CE1-ND1 3.72Å; Y325-H330 AromaticContact CE1-NE2 3.78Å; Y325-H330 AromaticContact CZ-CE1 3.7Å; Y325-H330 AromaticContact CZ-ND1 3.58Å; Y325-H330 WeakPolarHBondContact O-CB 3.27Å; Y325-H330 PolarHBondContact OH-CE1 3.02Å; Y325-H330 PolarHBondContact OH-ND1 2.92Å; Y325-N487 VanDerWaalsContact CE2-ND2 3.28Å; Y325-N487 WeakPolarHBondContact CE2-ND2 3.34Å; Y325-N487 PolarHBondContact OH-ND2 3.41Å; Y325-W498 AromaticContact CD2-CE3 3.75Å; Y325-W498 HydrophobicContact CD2-CE3 3.75Å; Y325-W498 HydrophobicContact CD2-CZ3 4.24Å; Y325-W498 HydrophobicContact CE2-CD2 4.34Å; Y325-W498 AromaticContact CE2-CE3 3.67Å; Y325-W498 HydrophobicContact CE2-CE3 3.67Å; Y325-W498 HydrophobicContact CE2-CZ3 4.3Å; Y325-R501 HydrophobicContact CD2-CB 4.3Å; Y325-I502 HydrophobicContact CD1-CD1 3.7Å; Y325-I502 HydrophobicContact CD2-CB 3.71Å; Y325-I502 HydrophobicContact CD2-CD1 4.03Å; Y325-I502 HydrophobicContact CD2-CG1 4.39Å; Y325-I502 HydrophobicContact CE1-CD1 4.2Å; Y325-I502 HydrophobicContact CE2-CB 4.24Å; Y325-I502 HydrophobicContact CE2-CD1 4.48Å; Y325-I502 HydrophobicContact CG-CB 4.08Å; Y325-I502 HydrophobicContact CG-CD1 3.62Å; Y325-I502 HydrophobicContact CG-CG1 4.43Å; Y325-E505 WeakPolarHBondContact CA-OE2 3.27Å; Y325-E505 WeakPolarHBondContact CB-OE2 3.39Å; Y325-E505 PolarHBondContact N-OE2 3.5Å
326	H	98.8	Very high	98.2	Very high	35 Å²	35	18.9 Å²	18.9	16%	0.162	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	61.4	-174.7	-56.8	96.4	0	0	0	112.1	V323 D367 H370 E505	V323-H326 HydrophobicContact CG1-CB 4.08Å; V323-H326 WeakPolarHBondContact CG1-O 3.49Å; H326-D367 IonicContact CD2-OD2 2.72Å; H326-D367 PolarHBondContact CD2-OD2 2.88Å; H326-D367 VanDerWaalsContact CD2-OD2 3.27Å; H326-H370 HydrophobicContact CB-CB 3.86Å; H326-H370 WeakPolarHBondContact CB-ND1 3.13Å; H326-H370 AromaticContact CE1-CE1 3.92Å; H326-H370 AromaticContact CG-CE1 3.65Å; H326-H370 AromaticContact CG-CG 3.94Å; H326-H370 AromaticContact CG-ND1 3.64Å; H326-H370 AromaticContact CG-NE2 3.98Å; H326-H370 AromaticContact ND1-CE1 3.36Å; H326-H370 PolarHBondContact ND1-CE1 2.83Å; H326-H370 AromaticContact ND1-ND1 3.69Å; H326-H370 AromaticContact ND1-NE2 3.92Å; H326-E505 IonicContact CE1-OE1 3.62Å; H326-E505 IonicContact CG-OE1 2.7Å; H326-E505 PolarHBondContact N-OE2 2.91Å; H326-E505 IonicContact ND1-OE1 3.71Å; H326-E505 PolarHBondContact ND1-OE1 3.32Å; H326-E505 IonicContact ND1-OE2 2.71Å
327	N	98.5	Very high	98.3	Very high	8 Å²	8	18.6 Å²	18.6	4%	0.043	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-172.8	179.5	61.4	44.3	0	0	0	111.1	Y319 V323 A324 Y325 I329 H330 A331	Y319-N327 VanDerWaalsContact CD1-C 3.42Å; V323-N327 PolarHBondContact O-ND2 3.27Å; A324-N327 PolarHBondContact O-ND2 3.06Å; Y325-N327 PolarHBondContact O-N 3.36Å; N327-I329 PolarHBondContact O-N 2.86Å; N327-I329 VanDerWaalsContact OD1-CB 3.27Å; N327-I329 WeakPolarHBondContact OD1-CB 3.43Å; N327-I329 PolarHBondContact OD1-N 3.25Å; N327-H330 PolarHBondContact O-N 3.11Å; N327-H330 VanDerWaalsContact O-N 3.16Å; N327-A331 PolarHBondContact O-N 3.31Å; N327-A331 VanDerWaalsContact O-N 3.13Å
328	N	98.5	Very high	98.4	Very high	9 Å²	9	16.6 Å²	16.6	5%	0.048	10%	0.097	C	C	.	.	H	α-helix	trans	-63.6	-23.8	-177.5	63	-27.9	0	0	0	114.3	N281 L284 E316 Y319 A332	N281-N328 PolarHBondContact O-ND2 3.16Å; L284-N328 HydrophobicContact CB-CB 4.36Å; E316-N328 HydrophobicContact CG-CB 3.76Å; E316-N328 WeakPolarHBondContact CG-ND2 3.27Å; E316-N328 PolarHBondContact OE1-ND2 3.21Å; Y319-N328 HydrophobicContact CD2-CB 4.38Å; Y319-N328 HydrophobicContact CG-CB 4.14Å; N328-A332 WeakPolarHBondContact O-CB 3.37Å; N328-A332 PolarHBondContact O-N 3.01Å
329	I	98.7	Very high	98.4	Very high	9 Å²	9	16.4 Å²	16.4	5%	0.046	10%	0.096	C	C	.	.	H	α-helix	trans	-69.4	-44.6	175.7	-50.8	175.8	0	0	0	109.4	V272 F273 A276 P283 N327 A332 D333 W498	V272-I329 HydrophobicContact CG1-CG2 4.07Å; V272-I329 HydrophobicContact CG2-CG2 4.04Å; F273-I329 HydrophobicContact CD1-CG2 3.81Å; F273-I329 HydrophobicContact CE1-CG2 3.91Å; A276-I329 HydrophobicContact CB-CD1 4.11Å; A276-I329 HydrophobicContact CB-CG1 4.09Å; P283-I329 HydrophobicContact CG-CB 4.45Å; P283-I329 HydrophobicContact CG-CG1 4.06Å; N327-I329 PolarHBondContact O-N 2.86Å; N327-I329 VanDerWaalsContact OD1-CB 3.27Å; N327-I329 WeakPolarHBondContact OD1-CB 3.43Å; N327-I329 PolarHBondContact OD1-N 3.25Å; I329-A332 WeakPolarHBondContact O-CB 3.37Å; I329-A332 PolarHBondContact O-N 2.82Å; I329-D333 PolarHBondContact O-N 3.18Å; I329-W498 HydrophobicContact CB-CH2 4.16Å; I329-W498 HydrophobicContact CG2-CH2 3.7Å; I329-W498 HydrophobicContact CG2-CZ2 4.22Å
330	H	98.8	Very high	98.4	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-64.3	-46.8	177.6	172	59.1	0	0	0	110.9	Y325 N327 A332 D333 V334 H366 D367 D484 W498	Y325-H330 AromaticContact CE1-CD2 3.88Å; Y325-H330 AromaticContact CE1-CE1 3.69Å; Y325-H330 AromaticContact CE1-CG 3.84Å; Y325-H330 AromaticContact CE1-ND1 3.72Å; Y325-H330 AromaticContact CE1-NE2 3.78Å; Y325-H330 AromaticContact CZ-CE1 3.7Å; Y325-H330 AromaticContact CZ-ND1 3.58Å; Y325-H330 WeakPolarHBondContact O-CB 3.27Å; Y325-H330 PolarHBondContact OH-CE1 3.02Å; Y325-H330 PolarHBondContact OH-ND1 2.92Å; N327-H330 PolarHBondContact O-N 3.11Å; N327-H330 VanDerWaalsContact O-N 3.16Å; H330-A332 VanDerWaalsContact C-N 3.26Å; H330-A332 PolarHBondContact O-N 3.29Å; H330-D333 WeakPolarHBondContact O-CA 3.46Å; H330-D333 WeakPolarHBondContact O-CB 3.41Å; H330-D333 PolarHBondContact O-N 2.58Å; H330-V334 WeakPolarHBondContact CE1-CG2 3.49Å; H330-V334 WeakPolarHBondContact O-CG2 3.26Å; H330-V334 PolarHBondContact O-N 2.86Å; H330-H366 AromaticContact CD2-NE2 3.97Å; H330-H366 AromaticContact NE2-CE1 3.84Å; H330-H366 AromaticContact NE2-NE2 3.39Å; H330-H366 PolarHBondContact NE2-NE2 3.33Å; H330-D367 IonicContact CD2-OD2 3.7Å; H330-D367 PolarHBondContact CD2-OD2 3.48Å; H330-D367 IonicContact NE2-OD2 2.68Å; H330-D367 PolarHBondContact NE2-OD2 3.08Å; H330-D484 IonicContact CE1-OD1 2.8Å; H330-D484 PolarHBondContact CE1-OD1 2.68Å; H330-D484 VanDerWaalsContact CE1-OD1 3.29Å; H330-D484 IonicContact NE2-OD1 3.79Å; H330-D484 PolarHBondContact NE2-OD1 2.89Å; H330-W498 HydrophobicContact CB-CH2 3.96Å; H330-W498 HydrophobicContact CB-CZ3 4Å
331	A	98.8	Very high	98.4	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-55.8	-41	174	0	0	0	0	0	112.8	L284 Y319 N327 D333 V334 V335	L284-A331 HydrophobicContact CD1-CB 4.14Å; L284-A331 HydrophobicContact CD2-CB 4.18Å; Y319-A331 HydrophobicContact CE1-CB 3.78Å; Y319-A331 HydrophobicContact CE2-CB 3.84Å; Y319-A331 VanDerWaalsContact OH-CB 3.31Å; Y319-A331 WeakPolarHBondContact OH-CB 3.44Å; N327-A331 PolarHBondContact O-N 3.31Å; N327-A331 VanDerWaalsContact O-N 3.13Å; A331-D333 VanDerWaalsContact C-N 3.35Å; A331-V334 PolarHBondContact O-N 3.04Å; A331-V335 WeakPolarHBondContact O-CB 3.49Å; A331-V335 WeakPolarHBondContact O-CG2 3.44Å; A331-V335 PolarHBondContact O-N 2.81Å
332	A	98.8	Very high	98.5	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-64.5	-38.1	175.7	0	0	0	0	0	112.5	V272 P283 L284 I287 N328 I329 H330 Q336	V272-A332 HydrophobicContact CG2-CB 3.93Å; P283-A332 HydrophobicContact CB-CB 3.9Å; P283-A332 HydrophobicContact CG-CB 4.25Å; L284-A332 HydrophobicContact CB-CB 4.29Å; L284-A332 HydrophobicContact CD1-CB 4.48Å; I287-A332 HydrophobicContact CB-CB 4.47Å; I287-A332 HydrophobicContact CG1-CB 4.25Å; N328-A332 WeakPolarHBondContact O-CB 3.37Å; N328-A332 PolarHBondContact O-N 3.01Å; I329-A332 WeakPolarHBondContact O-CB 3.37Å; I329-A332 PolarHBondContact O-N 2.82Å; H330-A332 VanDerWaalsContact C-N 3.26Å; H330-A332 PolarHBondContact O-N 3.29Å; A332-Q336 WeakPolarHBondContact O-CB 3.42Å; A332-Q336 PolarHBondContact O-N 3.42Å
333	D	98.8	Very high	98.5	Very high	2 Å²	2	9.3 Å²	9.3	1%	0.011	5%	0.054	C	C	.	.	H	α-helix	trans	-66.9	-45	176.5	-166.8	29.8	0	0	0	111.8	V272 I329 H330 A331 V335 Q336 S337 K490 W498	V272-D333 HydrophobicContact CG1-CB 4.18Å; V272-D333 HydrophobicContact CG2-CB 4.44Å; I329-D333 PolarHBondContact O-N 3.18Å; H330-D333 WeakPolarHBondContact O-CA 3.46Å; H330-D333 WeakPolarHBondContact O-CB 3.41Å; H330-D333 PolarHBondContact O-N 2.58Å; A331-D333 VanDerWaalsContact C-N 3.35Å; D333-V335 PolarHBondContact O-N 2.99Å; D333-Q336 PolarHBondContact O-N 3.39Å; D333-S337 WeakPolarHBondContact O-CB 3.46Å; D333-S337 PolarHBondContact O-N 2.77Å; D333-S337 PolarHBondContact O-OG 3.45Å; D333-K490 IonicContact OD1-NZ 2.68Å; D333-K490 PolarHBondContact OD1-NZ 3.31Å; D333-K490 IonicContact OD2-NZ 3.94Å; D333-K490 PolarHBondContact OD2-NZ 3.33Å; D333-W498 HydrophobicContact CB-CZ2 3.79Å; D333-W498 PolarHBondContact OD2-NE1 3.39Å; D333-W498 VanDerWaalsContact OD2-NE1 3.15Å
334	V	98.9	Very high	98.4	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-64	-42.3	176.9	-177.8	0	0	0	0	110.7	H330 A331 Q336 S337 T338 V480 A483 D484	H330-V334 WeakPolarHBondContact CE1-CG2 3.49Å; H330-V334 WeakPolarHBondContact O-CG2 3.26Å; H330-V334 PolarHBondContact O-N 2.86Å; A331-V334 PolarHBondContact O-N 3.04Å; V334-Q336 PolarHBondContact O-N 2.95Å; V334-S337 PolarHBondContact O-N 3.45Å; V334-T338 VanDerWaalsContact O-CB 3.29Å; V334-T338 WeakPolarHBondContact O-CB 3.37Å; V334-T338 PolarHBondContact O-N 2.88Å; V334-T338 PolarHBondContact O-OG1 3.22Å; V334-V480 HydrophobicContact CG1-CG1 4.47Å; V334-A483 HydrophobicContact CG1-CB 3.98Å; V334-D484 HydrophobicContact CG1-CB 4.46Å; V334-D484 HydrophobicContact CG2-CB 4.46Å
335	V	98.9	Very high	98.3	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-58.7	-48.5	174.4	166.2	0	0	0	0	111.6	L284 I287 M288 I291 A331 D333 H339 I360 A364	L284-V335 HydrophobicContact CD1-CG2 4.06Å; I287-V335 HydrophobicContact CG2-CB 4.34Å; I287-V335 HydrophobicContact CG2-CG1 3.79Å; M288-V335 HydrophobicContact CG-CG1 4.12Å; M288-V335 HydrophobicContact SD-CB 4.49Å; M288-V335 HydrophobicContact SD-CG1 3.58Å; M288-V335 VanDerWaalsContact SD-CG1 3.58Å; M288-V335 HydrophobicContact SD-CG2 4.03Å; I291-V335 HydrophobicContact CD1-CG1 3.63Å; A331-V335 WeakPolarHBondContact O-CB 3.49Å; A331-V335 WeakPolarHBondContact O-CG2 3.44Å; A331-V335 PolarHBondContact O-N 2.81Å; D333-V335 PolarHBondContact O-N 2.99Å; V335-H339 WeakPolarHBondContact O-CB 3.27Å; V335-H339 PolarHBondContact O-N 3.08Å; V335-I360 HydrophobicContact CG1-CG2 4.32Å; V335-A364 HydrophobicContact CG2-CB 3.63Å; V335-A364 VanDerWaalsContact CG2-N 3.31Å
336	Q	98.7	Very high	98	Very high	3 Å²	3	12.8 Å²	12.8	1%	0.014	8%	0.078	C	C	.	.	H	α-helix	trans	-70.2	-39.9	-178.2	-172.2	-92.3	-18.7	0	0	112.1	V265 K267 L270 I287 A332 D333 V334 H339 V340	V265-Q336 HydrophobicContact CG2-CG 4.45Å; V265-Q336 PolarHBondContact O-NE2 2.98Å; K267-Q336 PolarHBondContact O-NE2 3.49Å; L270-Q336 HydrophobicContact CB-CG 4.47Å; L270-Q336 HydrophobicContact CD2-CB 4.5Å; L270-Q336 HydrophobicContact CD2-CG 3.62Å; I287-Q336 HydrophobicContact CG2-CB 3.98Å; A332-Q336 WeakPolarHBondContact O-CB 3.42Å; A332-Q336 PolarHBondContact O-N 3.42Å; D333-Q336 PolarHBondContact O-N 3.39Å; V334-Q336 PolarHBondContact O-N 2.95Å; Q336-H339 WeakPolarHBondContact O-CA 3.42Å; Q336-H339 WeakPolarHBondContact O-CB 3.48Å; Q336-H339 PolarHBondContact O-N 3.4Å; Q336-H339 VanDerWaalsContact O-N 3.14Å; Q336-V340 VanDerWaalsContact NE2-CG2 3.31Å; Q336-V340 WeakPolarHBondContact O-CG2 3.27Å; Q336-V340 PolarHBondContact O-N 3.31Å
337	S	98.8	Very high	97.8	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-61.3	-47	174.8	-58	0	0	0	0	110.7	D333 V334 H339 V340 L341 K490	D333-S337 WeakPolarHBondContact O-CB 3.46Å; D333-S337 PolarHBondContact O-N 2.77Å; D333-S337 PolarHBondContact O-OG 3.45Å; V334-S337 PolarHBondContact O-N 3.45Å; S337-H339 VanDerWaalsContact C-N 3.27Å; S337-H339 PolarHBondContact O-N 2.96Å; S337-V340 PolarHBondContact O-N 3.49Å; S337-V340 VanDerWaalsContact O-N 3.1Å; S337-L341 WeakPolarHBondContact O-CG 3.28Å; S337-L341 PolarHBondContact O-N 2.88Å; S337-K490 WeakPolarHBondContact OG-CE 3.45Å; S337-K490 PolarHBondContact OG-NZ 2.73Å
338	T	98.8	Very high	97.5	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-57.4	-42.2	173	-54.1	0	0	0	0	111.1	V334 V340 L341 L342 A359 I360 S363 M479 V480 A483	V334-T338 VanDerWaalsContact O-CB 3.29Å; V334-T338 WeakPolarHBondContact O-CB 3.37Å; V334-T338 PolarHBondContact O-N 2.88Å; V334-T338 PolarHBondContact O-OG1 3.22Å; T338-V340 VanDerWaalsContact C-N 3.35Å; T338-V340 PolarHBondContact O-N 3.45Å; T338-L341 PolarHBondContact O-N 3.43Å; T338-L342 HydrophobicContact CG2-CD1 4.14Å; T338-L342 HydrophobicContact CG2-CG 4.47Å; T338-L342 WeakPolarHBondContact O-CB 3.37Å; T338-L342 WeakPolarHBondContact O-CG 3.48Å; T338-L342 PolarHBondContact O-N 3.5Å; T338-A359 HydrophobicContact CG2-CB 4.27Å; T338-I360 HydrophobicContact CG2-CD1 4.24Å; T338-S363 WeakPolarHBondContact CB-OG 3.18Å; T338-S363 PolarHBondContact OG1-OG 3.16Å; T338-M479 HydrophobicContact CG2-SD 4.36Å; T338-V480 HydrophobicContact CG2-CG2 3.98Å; T338-A483 WeakPolarHBondContact OG1-CB 3.48Å
339	H	98.6	Very high	97.1	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.009	14%	0.139	C	C	.	.	H	α-helix	trans	-61.1	-41	176.4	168.2	93.4	0	0	0	112.4	N266 I291 R295 V335 Q336 S337 S343 I360	N266-H339 PolarHBondContact OD1-NE2 3.11Å; I291-H339 HydrophobicContact CD1-CB 3.63Å; I291-H339 HydrophobicContact CG1-CB 4.09Å; I291-H339 HydrophobicContact CG2-CB 4.32Å; I291-H339 WeakPolarHBondContact CG2-ND1 3.42Å; R295-H339 PolarHBondContact NE-CE1 3.21Å; R295-H339 PolarHBondContact NE-ND1 3.19Å; R295-H339 PolarHBondContact NH2-O 3.38Å; V335-H339 WeakPolarHBondContact O-CB 3.27Å; V335-H339 PolarHBondContact O-N 3.08Å; Q336-H339 WeakPolarHBondContact O-CA 3.42Å; Q336-H339 WeakPolarHBondContact O-CB 3.48Å; Q336-H339 PolarHBondContact O-N 3.4Å; Q336-H339 VanDerWaalsContact O-N 3.14Å; S337-H339 VanDerWaalsContact C-N 3.27Å; S337-H339 PolarHBondContact O-N 2.96Å; H339-S343 PolarHBondContact O-OG 3.31Å; H339-I360 HydrophobicContact CB-CD1 3.84Å
340	V	98.4	Very high	96.8	Very high	23 Å²	23	22.7 Å²	22.7	14%	0.139	14%	0.143	C	C	.	.	H	α-helix	trans	-67.6	-43.5	176.8	176.4	0	0	0	0	111	W268 Q336 S337 T338 L342 S343	W268-V340 HydrophobicContact CE3-CB 4.07Å; W268-V340 HydrophobicContact CE3-CG1 3.93Å; W268-V340 HydrophobicContact CZ3-CB 4.41Å; Q336-V340 VanDerWaalsContact NE2-CG2 3.31Å; Q336-V340 WeakPolarHBondContact O-CG2 3.27Å; Q336-V340 PolarHBondContact O-N 3.31Å; S337-V340 PolarHBondContact O-N 3.49Å; S337-V340 VanDerWaalsContact O-N 3.1Å; T338-V340 VanDerWaalsContact C-N 3.35Å; T338-V340 PolarHBondContact O-N 3.45Å; V340-L342 VanDerWaalsContact C-N 3.34Å; V340-L342 PolarHBondContact O-N 2.93Å; V340-S343 WeakPolarHBondContact O-CA 3.37Å; V340-S343 WeakPolarHBondContact O-CB 3.46Å; V340-S343 PolarHBondContact O-N 2.79Å
341	L	98.3	Very high	96.8	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-64.2	-34.8	178.6	-63.9	176.9	0	0	0	113.1	W268 S337 T338 S343 T344 M479 C482 A483 W547 W550 I561	W268-L341 HydrophobicContact CZ3-CD2 4.23Å; W268-L341 HydrophobicContact CZ3-CG 4.16Å; S337-L341 WeakPolarHBondContact O-CG 3.28Å; S337-L341 PolarHBondContact O-N 2.88Å; T338-L341 PolarHBondContact O-N 3.43Å; L341-S343 PolarHBondContact O-N 2.67Å; L341-T344 VanDerWaalsContact O-CB 3.28Å; L341-T344 WeakPolarHBondContact O-CB 3.18Å; L341-T344 PolarHBondContact O-N 2.85Å; L341-T344 PolarHBondContact O-OG1 3.48Å; L341-M479 HydrophobicContact CB-CE 4.34Å; L341-M479 HydrophobicContact CB-CG 3.68Å; L341-M479 HydrophobicContact CB-SD 4.01Å; L341-M479 HydrophobicContact CD1-CG 3.88Å; L341-M479 HydrophobicContact CG-CG 4.46Å; L341-C482 HydrophobicContact CD1-CB 4.24Å; L341-A483 HydrophobicContact CD1-CB 4.27Å; L341-W547 HydrophobicContact CD1-CH2 4.17Å; L341-W547 HydrophobicContact CD2-CH2 4.04Å; L341-W547 HydrophobicContact CD2-CZ3 4.08Å; L341-W550 HydrophobicContact CB-CZ2 4.26Å; L341-W550 HydrophobicContact CD2-CZ2 4.24Å; L341-I561 HydrophobicContact CD2-CD1 4.4Å
342	L	97.9	Very high	96.7	Very high	13 Å²	13	26.8 Å²	26.8	7%	0.068	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-16.3	172	-77.6	168.9	0	0	0	113.3	R295 T338 V340 F351 I356 A359 I360 L476 M479	R295-L342 VanDerWaalsContact NH2-CB 3.31Å; T338-L342 HydrophobicContact CG2-CD1 4.14Å; T338-L342 HydrophobicContact CG2-CG 4.47Å; T338-L342 WeakPolarHBondContact O-CB 3.37Å; T338-L342 WeakPolarHBondContact O-CG 3.48Å; T338-L342 PolarHBondContact O-N 3.5Å; V340-L342 VanDerWaalsContact C-N 3.34Å; V340-L342 PolarHBondContact O-N 2.93Å; L342-F351 HydrophobicContact CD2-CD2 3.92Å; L342-F351 HydrophobicContact CD2-CE2 4.31Å; L342-I356 HydrophobicContact CD1-CG2 4.25Å; L342-I356 HydrophobicContact CD2-CG1 4.38Å; L342-A359 HydrophobicContact CD1-CB 4.25Å; L342-I360 HydrophobicContact CD1-CD1 3.83Å; L342-I360 HydrophobicContact CD1-CG1 3.97Å; L342-L476 HydrophobicContact CD2-CD2 4.12Å; L342-M479 HydrophobicContact CB-SD 4.4Å; L342-M479 HydrophobicContact CD2-CE 3.9Å; L342-M479 HydrophobicContact CD2-SD 3.52Å; L342-M479 VanDerWaalsContact CD2-SD 3.52Å; L342-M479 HydrophobicContact CG-CE 4.28Å; L342-M479 HydrophobicContact CG-SD 3.5Å; L342-M479 WeakPolarHBondContact CG-SD 3.22Å
343	S	96.6	Very high	96.6	Very high	63 Å²	63	30.9 Å²	30.9	44%	0.441	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	5.4	177.3	-62.5	0	0	0	0	113	R295 H339 V340 L341	R295-S343 PolarHBondContact NH2-OG 2.88Å; H339-S343 PolarHBondContact O-OG 3.31Å; V340-S343 WeakPolarHBondContact O-CA 3.37Å; V340-S343 WeakPolarHBondContact O-CB 3.46Å; V340-S343 PolarHBondContact O-N 2.79Å; L341-S343 PolarHBondContact O-N 2.67Å
344	T	96.2	Very high	96.6	Very high	17 Å²	17	31.8 Å²	31.8	10%	0.104	19%	0.193	C	C	.	.			trans	-59	125.5	174.8	-66.6	0	0	0	0	110.6	L341 A346 L347 V554 D557	L341-T344 VanDerWaalsContact O-CB 3.28Å; L341-T344 WeakPolarHBondContact O-CB 3.18Å; L341-T344 PolarHBondContact O-N 2.85Å; L341-T344 PolarHBondContact O-OG1 3.48Å; T344-A346 VanDerWaalsContact C-N 3.29Å; T344-A346 HydrophobicContact CG2-CB 4.21Å; T344-A346 PolarHBondContact O-N 3.14Å; T344-L347 HydrophobicContact CG2-CG 4.5Å; T344-L347 WeakPolarHBondContact O-CA 3.27Å; T344-L347 PolarHBondContact O-N 2.77Å; T344-V554 HydrophobicContact CG2-CB 3.76Å; T344-V554 HydrophobicContact CG2-CG1 4.07Å; T344-V554 HydrophobicContact CG2-CG2 4.07Å; T344-D557 HydrophobicContact CG2-CB 3.57Å; T344-D557 VanDerWaalsContact CG2-OD2 3.22Å; T344-D557 WeakPolarHBondContact CG2-OD2 3.27Å
345	P	95	Very high	96.6	Very high	76 Å²	76	32.1 Å²	32.1	49%	0.494	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-51.6	-40.2	-178.7	-30	34.5	0	0	0	114.9	L347 E348 D557	P345-L347 PolarHBondContact O-N 3.32Å; P345-E348 WeakPolarHBondContact O-CB 3.22Å; P345-E348 PolarHBondContact O-N 3.44Å; P345-E348 VanDerWaalsContact O-N 3.08Å; P345-D557 WeakPolarHBondContact CD-OD2 3.42Å
346	A	93.6	Very high	96.6	Very high	6 Å²	6	33.3 Å²	33.3	5%	0.05	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-59.9	-17.3	175.9	0	0	0	0	0	114	T344 V463 L464 V554 D557	T344-A346 VanDerWaalsContact C-N 3.29Å; T344-A346 HydrophobicContact CG2-CB 4.21Å; T344-A346 PolarHBondContact O-N 3.14Å; A346-V463 WeakPolarHBondContact O-CA 3.43Å; A346-L464 WeakPolarHBondContact O-CB 3.44Å; A346-L464 PolarHBondContact O-N 3.34Å; A346-V554 HydrophobicContact CB-CB 3.98Å; A346-V554 HydrophobicContact CB-CG1 4.36Å; A346-D557 WeakPolarHBondContact CB-OD2 3.38Å; A346-D557 PolarHBondContact N-OD2 3.38Å
347	L	94.3	Very high	96.6	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.021	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-108.9	11.4	-179.5	-57.2	177.4	0	0	0	113	T344 P345 A349 V350 F351 L464 M479 W550 V554	T344-L347 HydrophobicContact CG2-CG 4.5Å; T344-L347 WeakPolarHBondContact O-CA 3.27Å; T344-L347 PolarHBondContact O-N 2.77Å; P345-L347 PolarHBondContact O-N 3.32Å; L347-A349 PolarHBondContact O-N 3.1Å; L347-V350 WeakPolarHBondContact O-CB 3.13Å; L347-V350 WeakPolarHBondContact O-CG2 3.35Å; L347-V350 PolarHBondContact O-N 2.94Å; L347-F351 HydrophobicContact CB-CE2 4.27Å; L347-F351 HydrophobicContact CD1-CE2 4.21Å; L347-F351 HydrophobicContact CD2-CE2 4.47Å; L347-L464 HydrophobicContact CD2-CB 4.24Å; L347-L464 HydrophobicContact CD2-CD2 3.86Å; L347-M479 HydrophobicContact CD1-CE 3.49Å; L347-M479 VanDerWaalsContact CD1-CE 3.49Å; L347-W550 HydrophobicContact CD1-CH2 4.09Å; L347-W550 HydrophobicContact CD1-CZ2 4.17Å; L347-V554 HydrophobicContact CD1-CG1 4.13Å; L347-V554 HydrophobicContact CD2-CG1 4.32Å; L347-V554 HydrophobicContact CG-CG1 4.12Å
348	E	91.5	Very high	96.6	Very high	141 Å²	141	33.1 Å²	33.1	66%	0.659	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	126.6	179.5	-171.5	178.2	-170.8	0	0	111.5	P345 V350 V463	P345-E348 WeakPolarHBondContact O-CB 3.22Å; P345-E348 PolarHBondContact O-N 3.44Å; P345-E348 VanDerWaalsContact O-N 3.08Å; E348-V350 PolarHBondContact O-N 3.38Å; E348-V350 VanDerWaalsContact O-N 3.07Å; E348-V463 WeakPolarHBondContact O-CG1 3.33Å
349	A	90	Very high	96.6	Very high	103 Å²	103	33.1 Å²	33.1	85%	0.851	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.4	14.1	-179.4	0	0	0	0	0	116.1	L347	L347-A349 PolarHBondContact O-N 3.1Å
350	V	94	Very high	96.6	Very high	22 Å²	22	33 Å²	33	13%	0.133	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-39.8	177	175.8	0	0	0	0	111.6	L347 E348 V463 L464 L466	L347-V350 WeakPolarHBondContact O-CB 3.13Å; L347-V350 WeakPolarHBondContact O-CG2 3.35Å; L347-V350 PolarHBondContact O-N 2.94Å; E348-V350 PolarHBondContact O-N 3.38Å; E348-V350 VanDerWaalsContact O-N 3.07Å; V350-V463 HydrophobicContact CG2-CG1 3.84Å; V350-L464 VanDerWaalsContact CG2-O 3.26Å; V350-L464 WeakPolarHBondContact CG2-O 3.34Å; V350-L466 HydrophobicContact CG1-CB 4.23Å; V350-L466 HydrophobicContact CG1-CD1 3.56Å; V350-L466 HydrophobicContact CG1-CG 3.97Å
351	F	96.9	Very high	96.6	Very high	19 Å²	19	32 Å²	32	8%	0.083	19%	0.193	C	C	.	.	S	Bend	trans	-100.3	141.7	-178.2	-56.3	-65.5	0	0	0	112	L342 L347 E355 I356 L466 R472 V475 L476 M479	L342-F351 HydrophobicContact CD2-CD2 3.92Å; L342-F351 HydrophobicContact CD2-CE2 4.31Å; L347-F351 HydrophobicContact CB-CE2 4.27Å; L347-F351 HydrophobicContact CD1-CE2 4.21Å; L347-F351 HydrophobicContact CD2-CE2 4.47Å; F351-E355 HydrophobicContact CB-CB 4.04Å; F351-E355 HydrophobicContact CD1-CB 4.47Å; F351-I356 HydrophobicContact CB-CG1 4.11Å; F351-L466 HydrophobicContact CE1-CD1 4.37Å; F351-L466 HydrophobicContact CZ-CD1 4.42Å; F351-R472 HydrophobicContact CE1-CB 4.25Å; F351-V475 HydrophobicContact CZ-CB 4.05Å; F351-V475 HydrophobicContact CZ-CG1 3.71Å; F351-L476 HydrophobicContact CD1-CD1 4.06Å; F351-L476 HydrophobicContact CD1-CD2 3.8Å; F351-L476 HydrophobicContact CD1-CG 3.96Å; F351-L476 HydrophobicContact CD2-CD2 4.24Å; F351-L476 HydrophobicContact CE1-CD1 4.13Å; F351-L476 HydrophobicContact CE1-CD2 3.64Å; F351-L476 HydrophobicContact CE1-CG 3.61Å; F351-L476 HydrophobicContact CE2-CD2 4.08Å; F351-L476 HydrophobicContact CG-CD2 4.1Å; F351-L476 HydrophobicContact CZ-CD2 3.79Å; F351-L476 HydrophobicContact CZ-CG 4.11Å; F351-M479 HydrophobicContact CE2-CE 3.97Å
352	T	97.1	Very high	96.6	Very high	67 Å²	67	31.9 Å²	31.9	41%	0.411	19%	0.192	S	C	.	.			trans	-71.9	158.7	170.6	64.2	0	0	0	0	110.9	L354 E355 I356	T352-L354 PolarHBondContact O-N 3.35Å; T352-E355 WeakPolarHBondContact CB-OE2 3.03Å; T352-E355 WeakPolarHBondContact CG2-OE2 3.35Å; T352-E355 PolarHBondContact N-OE2 3.04Å; T352-E355 WeakPolarHBondContact O-CB 3.44Å; T352-E355 PolarHBondContact O-N 2.99Å; T352-E355 WeakPolarHBondContact OG1-CG 3.22Å; T352-E355 PolarHBondContact OG1-N 3.37Å; T352-E355 PolarHBondContact OG1-OE2 3.39Å; T352-I356 PolarHBondContact O-N 3.44Å
353	D	97.9	Very high	96.7	Very high	85 Å²	85	31.2 Å²	31.2	46%	0.455	19%	0.189	S	C	.	.	H	α-helix	trans	-54.6	-31.6	174.7	-60.3	-34.8	0	0	0	112.6	T300 F301 L357	T300-D353 HydrophobicContact CG2-CB 3.9Å; F301-D353 HydrophobicContact CE2-CB 3.93Å; F301-D353 WeakPolarHBondContact CE2-O 3.44Å; F301-D353 VanDerWaalsContact CZ-C 3.44Å; F301-D353 HydrophobicContact CZ-CB 3.63Å; F301-D353 WeakPolarHBondContact CZ-O 3.24Å; D353-L357 WeakPolarHBondContact O-CB 3.22Å; D353-L357 PolarHBondContact O-N 2.79Å
354	L	98.3	Very high	96.8	Very high	21 Å²	21	28.2 Å²	28.2	11%	0.11	17%	0.168	C	C	.	.	H	α-helix	trans	-73.2	-34.9	-179.4	-169.9	71.9	0	0	0	111.4	F301 T352 A358 L418 Q422 L426 M429	F301-L354 HydrophobicContact CE1-CD1 3.96Å; F301-L354 HydrophobicContact CZ-CB 4.29Å; F301-L354 HydrophobicContact CZ-CD1 4.25Å; T352-L354 PolarHBondContact O-N 3.35Å; L354-A358 VanDerWaalsContact O-CB 3.31Å; L354-A358 WeakPolarHBondContact O-CB 3.35Å; L354-A358 PolarHBondContact O-N 2.94Å; L354-L418 HydrophobicContact CD1-CD1 4.28Å; L354-Q422 HydrophobicContact CD1-CB 4.21Å; L354-Q422 HydrophobicContact CD2-CB 4.2Å; L354-Q422 HydrophobicContact CD2-CG 4.19Å; L354-L426 HydrophobicContact CD1-CB 4.14Å; L354-L426 HydrophobicContact CD1-CD1 3.99Å; L354-L426 HydrophobicContact CG-CB 4.4Å; L354-M429 HydrophobicContact CD2-CE 4.13Å; L354-M429 HydrophobicContact CG-CE 4Å
355	E	98.4	Very high	96.9	Very high	8 Å²	8	27.4 Å²	27.4	4%	0.037	16%	0.163	C	C	.	.	H	α-helix	trans	-69.3	-42.6	174	-80.3	150.4	-179	0	0	111.1	F351 T352 A358 A359 M429 R472 L476	F351-E355 HydrophobicContact CB-CB 4.04Å; F351-E355 HydrophobicContact CD1-CB 4.47Å; T352-E355 WeakPolarHBondContact CB-OE2 3.03Å; T352-E355 WeakPolarHBondContact CG2-OE2 3.35Å; T352-E355 PolarHBondContact N-OE2 3.04Å; T352-E355 WeakPolarHBondContact O-CB 3.44Å; T352-E355 PolarHBondContact O-N 2.99Å; T352-E355 WeakPolarHBondContact OG1-CG 3.22Å; T352-E355 PolarHBondContact OG1-N 3.37Å; T352-E355 PolarHBondContact OG1-OE2 3.39Å; E355-A358 PolarHBondContact O-N 3.41Å; E355-A359 WeakPolarHBondContact O-CB 3.28Å; E355-A359 PolarHBondContact O-N 3.46Å; E355-M429 HydrophobicContact CB-SD 4.4Å; E355-M429 HydrophobicContact CG-CE 4.02Å; E355-M429 HydrophobicContact CG-SD 3.37Å; E355-M429 WeakPolarHBondContact CG-SD 3.34Å; E355-R472 IonicContact OE1-CZ 3.49Å; E355-R472 IonicContact OE1-NE 3.43Å; E355-R472 IonicContact OE1-NH1 3.18Å; E355-R472 PolarHBondContact OE1-NH1 3.4Å; E355-R472 IonicContact OE1-NH2 2.65Å; E355-R472 PolarHBondContact OE1-NH2 3.41Å; E355-R472 IonicContact OE2-CZ 3.42Å; E355-R472 IonicContact OE2-NH1 2.72Å; E355-R472 PolarHBondContact OE2-NH1 2.61Å; E355-L476 HydrophobicContact CB-CD1 3.94Å; E355-L476 HydrophobicContact CG-CD1 4.07Å
356	I	98.5	Very high	97.1	Very high	24 Å²	24	23.8 Å²	23.8	12%	0.123	14%	0.14	C	C	.	.	H	α-helix	trans	-59.3	-48	172.7	-67.6	171.2	0	0	0	110.4	L297 L342 F351 T352 A358 A359 I360	L297-I356 HydrophobicContact CD2-CG2 4.23Å; L342-I356 HydrophobicContact CD1-CG2 4.25Å; L342-I356 HydrophobicContact CD2-CG1 4.38Å; F351-I356 HydrophobicContact CB-CG1 4.11Å; T352-I356 PolarHBondContact O-N 3.44Å; I356-A358 VanDerWaalsContact C-N 3.31Å; I356-A358 PolarHBondContact O-N 3.35Å; I356-A359 PolarHBondContact O-N 2.68Å; I356-I360 WeakPolarHBondContact O-CG1 3.31Å; I356-I360 PolarHBondContact O-N 2.81Å
357	L	98.7	Very high	97.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-59.5	-42.6	175.7	176.8	64	0	0	0	111.6	F292 L297 F301 D353 F361 F415 L418 L426	F292-L357 HydrophobicContact CE1-CD1 3.96Å; F292-L357 HydrophobicContact CZ-CD1 3.73Å; L297-L357 HydrophobicContact CD1-CD1 4.45Å; F301-L357 HydrophobicContact CD1-CD2 4.34Å; F301-L357 HydrophobicContact CD2-CB 4.33Å; F301-L357 HydrophobicContact CD2-CD2 3.64Å; F301-L357 HydrophobicContact CD2-CG 4.41Å; F301-L357 HydrophobicContact CE1-CD2 4.45Å; F301-L357 HydrophobicContact CE2-CB 3.78Å; F301-L357 HydrophobicContact CE2-CD2 3.78Å; F301-L357 HydrophobicContact CE2-CG 4.32Å; F301-L357 HydrophobicContact CG-CD2 3.92Å; F301-L357 HydrophobicContact CZ-CB 4.31Å; F301-L357 HydrophobicContact CZ-CD2 4.19Å; D353-L357 WeakPolarHBondContact O-CB 3.22Å; D353-L357 PolarHBondContact O-N 2.79Å; L357-F361 WeakPolarHBondContact O-CB 3.33Å; L357-F361 PolarHBondContact O-N 2.88Å; L357-F415 HydrophobicContact CD1-CE1 4.31Å; L357-F415 HydrophobicContact CD2-CD1 4.27Å; L357-F415 HydrophobicContact CD2-CE1 3.94Å; L357-F415 HydrophobicContact CG-CE1 4.22Å; L357-L418 HydrophobicContact CD2-CD1 4.42Å; L357-L426 HydrophobicContact CB-CD1 4.48Å; L357-L426 HydrophobicContact CD2-CD1 3.5Å; L357-L426 HydrophobicContact CG-CD1 3.77Å
358	A	98.7	Very high	97.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-65	-45.2	179.8	0	0	0	0	0	112.2	L354 E355 I356 F361 A362 L426 M429 V430	L354-A358 VanDerWaalsContact O-CB 3.31Å; L354-A358 WeakPolarHBondContact O-CB 3.35Å; L354-A358 PolarHBondContact O-N 2.94Å; E355-A358 PolarHBondContact O-N 3.41Å; I356-A358 VanDerWaalsContact C-N 3.31Å; I356-A358 PolarHBondContact O-N 3.35Å; A358-F361 PolarHBondContact O-N 2.93Å; A358-A362 WeakPolarHBondContact O-CB 3.5Å; A358-A362 PolarHBondContact O-N 2.63Å; A358-L426 HydrophobicContact CB-CG 4.25Å; A358-M429 HydrophobicContact CB-CB 3.88Å; A358-M429 HydrophobicContact CB-CE 3.85Å; A358-V430 HydrophobicContact CB-CG2 3.97Å
359	A	98.8	Very high	97.9	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-63	-50.9	178.2	0	0	0	0	0	111.6	T338 L342 E355 I356 F361 A362 S363 I433 L476	T338-A359 HydrophobicContact CG2-CB 4.27Å; L342-A359 HydrophobicContact CD1-CB 4.25Å; E355-A359 WeakPolarHBondContact O-CB 3.28Å; E355-A359 PolarHBondContact O-N 3.46Å; I356-A359 PolarHBondContact O-N 2.68Å; A359-F361 VanDerWaalsContact C-N 3.33Å; A359-F361 PolarHBondContact O-N 3.18Å; A359-A362 PolarHBondContact O-N 3.18Å; A359-S363 PolarHBondContact O-N 3.45Å; A359-S363 PolarHBondContact O-OG 3.32Å; A359-I433 HydrophobicContact CB-CD1 4.47Å; A359-L476 HydrophobicContact CB-CD2 4.14Å
360	I	98.8	Very high	98.3	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-61	-42.2	178.3	-64.9	-61.5	0	0	0	111.6	M288 I291 F292 V335 T338 H339 L342 I356 A364	M288-I360 HydrophobicContact CE-CG2 4.22Å; M288-I360 HydrophobicContact SD-CG2 3.64Å; I291-I360 HydrophobicContact CG2-CD1 4.22Å; I291-I360 HydrophobicContact CG2-CG1 4.4Å; I291-I360 HydrophobicContact CG2-CG2 4.19Å; F292-I360 HydrophobicContact CD2-CG2 4.44Å; F292-I360 HydrophobicContact CE2-CG2 3.83Å; V335-I360 HydrophobicContact CG1-CG2 4.32Å; T338-I360 HydrophobicContact CG2-CD1 4.24Å; H339-I360 HydrophobicContact CB-CD1 3.84Å; L342-I360 HydrophobicContact CD1-CD1 3.83Å; L342-I360 HydrophobicContact CD1-CG1 3.97Å; I356-I360 WeakPolarHBondContact O-CG1 3.31Å; I356-I360 PolarHBondContact O-N 2.81Å; I360-A364 PolarHBondContact O-N 2.97Å; I360-A364 VanDerWaalsContact O-N 3.14Å
361	F	98.8	Very high	98.5	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-67.1	-41.1	176.8	179.8	-99.2	0	0	0	112.3	Y311 L357 A358 A359 A364 I365 F404 L407 I414 F415 V430	Y311-F361 HydrophobicContact CE1-CD2 4.37Å; Y311-F361 AromaticContact CE1-CE2 3.58Å; Y311-F361 HydrophobicContact CE1-CE2 3.58Å; Y311-F361 HydrophobicContact CE1-CZ 4.44Å; Y311-F361 AromaticContact CZ-CE2 3.54Å; Y311-F361 AromaticContact CZ-CZ 3.96Å; Y311-F361 WeakPolarHBondContact OH-CE2 3.16Å; Y311-F361 WeakPolarHBondContact OH-CZ 3.44Å; L357-F361 WeakPolarHBondContact O-CB 3.33Å; L357-F361 PolarHBondContact O-N 2.88Å; A358-F361 PolarHBondContact O-N 2.93Å; A359-F361 VanDerWaalsContact C-N 3.33Å; A359-F361 PolarHBondContact O-N 3.18Å; F361-A364 PolarHBondContact O-N 2.81Å; F361-I365 HydrophobicContact CD1-CD1 4.23Å; F361-I365 HydrophobicContact CE1-CD1 3.67Å; F361-I365 HydrophobicContact CE1-CG1 4.38Å; F361-I365 HydrophobicContact CE1-CG2 4.29Å; F361-I365 HydrophobicContact CE2-CG2 4.18Å; F361-I365 HydrophobicContact CZ-CD1 4.27Å; F361-I365 HydrophobicContact CZ-CG2 4.02Å; F361-I365 PolarHBondContact O-N 3.26Å; F361-F404 HydrophobicContact CE1-CE1 4.4Å; F361-F404 HydrophobicContact CE1-CZ 4.25Å; F361-L407 HydrophobicContact CZ-CD1 4.3Å; F361-I414 HydrophobicContact CD2-CD1 3.86Å; F361-I414 HydrophobicContact CE2-CD1 3.84Å; F361-F415 HydrophobicContact CB-CZ 4.35Å; F361-F415 HydrophobicContact CD1-CE2 4.24Å; F361-F415 AromaticContact CD1-CZ 3.92Å; F361-F415 HydrophobicContact CD1-CZ 3.92Å; F361-F415 HydrophobicContact CD2-CE2 4.24Å; F361-F415 AromaticContact CD2-CZ 3.57Å; F361-F415 HydrophobicContact CD2-CZ 3.57Å; F361-F415 AromaticContact CE1-CE2 3.9Å; F361-F415 HydrophobicContact CE1-CE2 3.9Å; F361-F415 HydrophobicContact CE1-CZ 4.02Å; F361-F415 AromaticContact CE2-CE2 3.88Å; F361-F415 HydrophobicContact CE2-CE2 3.88Å; F361-F415 AromaticContact CE2-CZ 3.66Å; F361-F415 HydrophobicContact CE2-CZ 3.66Å; F361-F415 HydrophobicContact CG-CE2 4.39Å; F361-F415 AromaticContact CG-CZ 3.68Å; F361-F415 HydrophobicContact CG-CZ 3.68Å; F361-F415 AromaticContact CZ-CE2 3.71Å; F361-F415 HydrophobicContact CZ-CE2 3.71Å; F361-F415 AromaticContact CZ-CZ 3.9Å; F361-F415 HydrophobicContact CZ-CZ 3.9Å; F361-V430 HydrophobicContact CD1-CG1 3.89Å; F361-V430 HydrophobicContact CD1-CG2 3.78Å; F361-V430 HydrophobicContact CE1-CG1 4.1Å; F361-V430 HydrophobicContact CE1-CG2 4.5Å
362	A	98.9	Very high	98.5	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-59	-50	176.1	0	0	0	0	0	110.6	A358 A359 A364 I365 H366 V430 I433 V434	A358-A362 WeakPolarHBondContact O-CB 3.5Å; A358-A362 PolarHBondContact O-N 2.63Å; A359-A362 PolarHBondContact O-N 3.18Å; A362-A364 PolarHBondContact O-N 3Å; A362-I365 PolarHBondContact O-N 3.49Å; A362-I365 VanDerWaalsContact O-N 3.09Å; A362-H366 WeakPolarHBondContact O-CB 3.31Å; A362-H366 PolarHBondContact O-N 3.25Å; A362-V430 HydrophobicContact CB-CG1 4.14Å; A362-I433 HydrophobicContact CB-CB 3.94Å; A362-I433 HydrophobicContact CB-CD1 4.44Å; A362-I433 HydrophobicContact CB-CG2 3.55Å; A362-V434 HydrophobicContact CB-CG2 3.9Å
363	S	98.9	Very high	98.6	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-56.7	-36	175.6	-54.1	0	0	0	0	112.6	T338 A359 I365 H366	T338-S363 WeakPolarHBondContact CB-OG 3.18Å; T338-S363 PolarHBondContact OG1-OG 3.16Å; A359-S363 PolarHBondContact O-N 3.45Å; A359-S363 PolarHBondContact O-OG 3.32Å; S363-I365 VanDerWaalsContact C-N 3.34Å; S363-I365 PolarHBondContact O-N 2.99Å; S363-H366 PolarHBondContact O-ND1 2.77Å
364	A	98.9	Very high	98.6	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-72.5	-24.9	179.9	0	0	0	0	0	114	L284 M288 L315 Y319 V335 I360 F361 A362	L284-A364 HydrophobicContact CD1-CB 4.26Å; M288-A364 HydrophobicContact CE-CB 3.64Å; M288-A364 HydrophobicContact CG-CB 4.25Å; M288-A364 HydrophobicContact SD-CB 3.72Å; L315-A364 HydrophobicContact CD2-CB 4.22Å; Y319-A364 PolarHBondContact OH-O 3.1Å; Y319-A364 VanDerWaalsContact OH-O 3.11Å; V335-A364 HydrophobicContact CG2-CB 3.63Å; V335-A364 VanDerWaalsContact CG2-N 3.31Å; I360-A364 PolarHBondContact O-N 2.97Å; I360-A364 VanDerWaalsContact O-N 3.14Å; F361-A364 PolarHBondContact O-N 2.81Å; A362-A364 PolarHBondContact O-N 3Å
365	I	98.8	Very high	98.5	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-110	-4.2	-177.5	71.5	164.6	0	0	0	113.4	L315 F361 A362 S363 D367 V368 L400 V430 V434	L315-I365 HydrophobicContact CD1-CB 4.49Å; L315-I365 HydrophobicContact CD1-CG2 3.85Å; L315-I365 HydrophobicContact CD2-CG2 3.97Å; F361-I365 HydrophobicContact CD1-CD1 4.23Å; F361-I365 HydrophobicContact CE1-CD1 3.67Å; F361-I365 HydrophobicContact CE1-CG1 4.38Å; F361-I365 HydrophobicContact CE1-CG2 4.29Å; F361-I365 HydrophobicContact CE2-CG2 4.18Å; F361-I365 HydrophobicContact CZ-CD1 4.27Å; F361-I365 HydrophobicContact CZ-CG2 4.02Å; F361-I365 PolarHBondContact O-N 3.26Å; A362-I365 PolarHBondContact O-N 3.49Å; A362-I365 VanDerWaalsContact O-N 3.09Å; S363-I365 VanDerWaalsContact C-N 3.34Å; S363-I365 PolarHBondContact O-N 2.99Å; I365-D367 PolarHBondContact O-N 3.21Å; I365-V368 HydrophobicContact CB-CG1 4.33Å; I365-V368 WeakPolarHBondContact O-CG1 3.41Å; I365-V368 PolarHBondContact O-N 2.88Å; I365-V368 VanDerWaalsContact O-N 3.16Å; I365-L400 HydrophobicContact CD1-CD2 4.32Å; I365-V430 HydrophobicContact CD1-CG1 3.9Å; I365-V434 HydrophobicContact CG1-CG2 4.22Å
366	H	98.8	Very high	98.5	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-23.6	-165.4	78.8	-72.4	0	0	0	114	H330 A362 S363 H399 V434 T437 D484	H330-H366 AromaticContact CD2-NE2 3.97Å; H330-H366 AromaticContact NE2-CE1 3.84Å; H330-H366 AromaticContact NE2-NE2 3.39Å; H330-H366 PolarHBondContact NE2-NE2 3.33Å; A362-H366 WeakPolarHBondContact O-CB 3.31Å; A362-H366 PolarHBondContact O-N 3.25Å; S363-H366 PolarHBondContact O-ND1 2.77Å; H366-H399 WeakPolarHBondContact O-CB 3.35Å; H366-H399 PolarHBondContact O-CD2 2.92Å; H366-V434 HydrophobicContact CB-CG1 4.32Å; H366-V434 HydrophobicContact CB-CG2 4.35Å; H366-T437 HydrophobicContact CB-CG2 4.36Å; H366-D484 IonicContact NE2-OD1 2.73Å
367	D	98.8	Very high	98.4	Very high	12 Å²	12	11.1 Å²	11.1	6%	0.064	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.8	14	-178.5	-87.9	-19.5	0	0	0	114.4	Y319 H326 H330 I365 D369 H370 H399	Y319-D367 HydrophobicContact CE1-CB 3.74Å; Y319-D367 VanDerWaalsContact CE1-O 3.22Å; Y319-D367 WeakPolarHBondContact CE1-O 3.21Å; Y319-D367 PolarHBondContact OH-N 3.11Å; H326-D367 IonicContact CD2-OD2 2.72Å; H326-D367 PolarHBondContact CD2-OD2 2.88Å; H326-D367 VanDerWaalsContact CD2-OD2 3.27Å; H330-D367 IonicContact CD2-OD2 3.7Å; H330-D367 PolarHBondContact CD2-OD2 3.48Å; H330-D367 IonicContact NE2-OD2 2.68Å; H330-D367 PolarHBondContact NE2-OD2 3.08Å; I365-D367 PolarHBondContact O-N 3.21Å; D367-D369 PolarHBondContact O-N 3.39Å; D367-H370 VanDerWaalsContact O-CB 3.27Å; D367-H370 WeakPolarHBondContact O-CB 3.36Å; D367-H370 PolarHBondContact O-N 3Å; D367-H370 VanDerWaalsContact O-N 3.11Å; D367-H399 IonicContact OD1-CD2 2.94Å; D367-H399 IonicContact OD1-NE2 2.64Å
368	V	98.6	Very high	98.4	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	133.9	-175.7	65.5	0	0	0	0	110.8	L315 H318 Y319 I365 H370 H399 V402	L315-V368 HydrophobicContact CD1-CB 3.89Å; L315-V368 HydrophobicContact CD1-CG1 4.4Å; L315-V368 HydrophobicContact CD1-CG2 3.56Å; H318-V368 HydrophobicContact CB-CG2 3.6Å; Y319-V368 HydrophobicContact CD2-CG2 4.4Å; Y319-V368 HydrophobicContact CE2-CB 3.97Å; Y319-V368 HydrophobicContact CE2-CG2 4.24Å; Y319-V368 PolarHBondContact OH-N 3.05Å; I365-V368 HydrophobicContact CB-CG1 4.33Å; I365-V368 WeakPolarHBondContact O-CG1 3.41Å; I365-V368 PolarHBondContact O-N 2.88Å; I365-V368 VanDerWaalsContact O-N 3.16Å; V368-H370 VanDerWaalsContact C-N 3.3Å; V368-H370 PolarHBondContact O-N 2.85Å; V368-H399 HydrophobicContact CG1-CB 4.33Å; V368-H399 VanDerWaalsContact CG1-O 3.24Å; V368-H399 WeakPolarHBondContact CG1-O 3.37Å; V368-H399 PolarHBondContact O-ND1 3.22Å; V368-V402 HydrophobicContact CG1-CB 3.92Å; V368-V402 HydrophobicContact CG1-CG1 3.87Å; V368-V402 HydrophobicContact CG2-CG1 3.85Å
369	D	98.3	Very high	98.4	Very high	20 Å²	20	13.4 Å²	13.4	11%	0.107	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	25.1	-177	-154.6	48.2	0	0	0	114.2	H318 H320 D367 H398 V402	H318-D369 VanDerWaalsContact O-CA 3.27Å; H318-D369 WeakPolarHBondContact O-CA 3.44Å; H318-D369 PolarHBondContact O-N 3.37Å; H320-D369 IonicContact CD2-OD1 3.5Å; H320-D369 IonicContact CE1-OD1 3.29Å; H320-D369 IonicContact NE2-OD1 3.57Å; H320-D369 PolarHBondContact NE2-OD1 3.26Å; D367-D369 PolarHBondContact O-N 3.39Å; D369-H398 IonicContact OD2-CD2 3.76Å; D369-H398 IonicContact OD2-CE1 2.67Å; D369-H398 PolarHBondContact OD2-CE1 3.29Å; D369-H398 IonicContact OD2-NE2 3.54Å; D369-H398 PolarHBondContact OD2-NE2 3.36Å; D369-V402 HydrophobicContact CB-CG1 4.34Å; D369-V402 HydrophobicContact CB-CG2 4.15Å
370	H	98.5	Very high	98.3	Very high	9 Å²	9	17.4 Å²	17.4	4%	0.042	10%	0.095	C	C	.	.			trans	-62.8	124.1	173.2	-168.1	-83.6	0	0	0	111.8	H326 D367 V368 G372 H399 E505	H326-H370 HydrophobicContact CB-CB 3.86Å; H326-H370 WeakPolarHBondContact CB-ND1 3.13Å; H326-H370 AromaticContact CE1-CE1 3.92Å; H326-H370 AromaticContact CG-CE1 3.65Å; H326-H370 AromaticContact CG-CG 3.94Å; H326-H370 AromaticContact CG-ND1 3.64Å; H326-H370 AromaticContact CG-NE2 3.98Å; H326-H370 AromaticContact ND1-CE1 3.36Å; H326-H370 PolarHBondContact ND1-CE1 2.83Å; H326-H370 AromaticContact ND1-ND1 3.69Å; H326-H370 AromaticContact ND1-NE2 3.92Å; D367-H370 VanDerWaalsContact O-CB 3.27Å; D367-H370 WeakPolarHBondContact O-CB 3.36Å; D367-H370 PolarHBondContact O-N 3Å; D367-H370 VanDerWaalsContact O-N 3.11Å; V368-H370 VanDerWaalsContact C-N 3.3Å; V368-H370 PolarHBondContact O-N 2.85Å; H370-G372 VanDerWaalsContact C-N 3.25Å; H370-G372 PolarHBondContact ND1-N 3.14Å; H370-G372 PolarHBondContact O-N 3.47Å; H370-H399 AromaticContact CD2-CE1 3.9Å; H370-H399 AromaticContact CD2-NE2 3.7Å; H370-E505 IonicContact CE1-OE1 3.47Å; H370-E505 IonicContact ND1-OE1 3.82Å
371	P	98	Very high	98.2	Very high	26 Å²	26	19 Å²	19	17%	0.169	11%	0.105	C	C	.	.			trans	-82.7	5.8	-173	32.9	-35.9	0	0	0	114.9	V373 L378 L395 R512	P371-V373 HydrophobicContact CB-CG2 4.17Å; P371-V373 HydrophobicContact CG-CG2 3.72Å; P371-L378 HydrophobicContact CG-CD1 4.48Å; P371-L378 HydrophobicContact CG-CD2 4.44Å; P371-L395 VanDerWaalsContact CD-CD2 3.41Å; P371-L395 HydrophobicContact CG-CD2 3.91Å; P371-R512 PolarHBondContact O-NH1 3.26Å
372	G	98	Very high	98.1	Very high	3 Å²	3	24.6 Å²	24.6	3%	0.031	14%	0.135	C	C	.	.	S	Bend	trans	73.7	29.7	-178.4	0	0	0	0	0	114.3	H370 E505	H370-G372 VanDerWaalsContact C-N 3.25Å; H370-G372 PolarHBondContact ND1-N 3.14Å; H370-G372 PolarHBondContact O-N 3.47Å; G372-E505 VanDerWaalsContact CA-OE1 3.25Å; G372-E505 WeakPolarHBondContact CA-OE1 3.43Å
373	V	98.1	Very high	98	Very high	4 Å²	4	25.8 Å²	25.8	2%	0.024	14%	0.143	C	C	.	.	S	Bend	trans	-146.9	152.7	179.3	-67.4	0	0	0	0	110.3	P371 F377 L378 L395 Q509	P371-V373 HydrophobicContact CB-CG2 4.17Å; P371-V373 HydrophobicContact CG-CG2 3.72Å; V373-F377 HydrophobicContact CB-CB 4.13Å; V373-F377 HydrophobicContact CB-CD1 3.55Å; V373-F377 HydrophobicContact CB-CE1 4.12Å; V373-F377 HydrophobicContact CB-CG 3.9Å; V373-F377 HydrophobicContact CG1-CD1 3.79Å; V373-F377 HydrophobicContact CG1-CE1 3.88Å; V373-F377 HydrophobicContact CG1-CG 4.16Å; V373-F377 HydrophobicContact CG1-CZ 4.32Å; V373-F377 HydrophobicContact CG2-CD1 3.56Å; V373-F377 HydrophobicContact CG2-CE1 4.02Å; V373-F377 HydrophobicContact CG2-CG 4.38Å; V373-L378 HydrophobicContact CG2-CD2 3.77Å; V373-L378 HydrophobicContact CG2-CG 4.12Å; V373-L395 WeakPolarHBondContact O-CD1 3.36Å; V373-Q509 VanDerWaalsContact CA-OE1 3.28Å; V373-Q509 HydrophobicContact CB-CG 4.36Å; V373-Q509 HydrophobicContact CG1-CB 4.16Å; V373-Q509 HydrophobicContact CG1-CG 3.95Å
374	S	98	Very high	97.9	Very high	43 Å²	43	33.3 Å²	33.3	30%	0.301	18%	0.178	S	C	.	.			trans	-72.4	161.4	-177.2	74	0	0	0	0	114.4	Q376 F377 L378	S374-Q376 PolarHBondContact O-N 3.42Å; S374-Q376 PolarHBondContact OG-N 3.16Å; S374-F377 WeakPolarHBondContact O-CB 3.29Å; S374-F377 PolarHBondContact O-N 2.8Å; S374-F377 VanDerWaalsContact O-N 3.14Å; S374-F377 PolarHBondContact OG-N 3.43Å; S374-F377 VanDerWaalsContact OG-N 3.17Å; S374-L378 PolarHBondContact O-N 3.18Å; S374-L378 VanDerWaalsContact O-N 3.1Å
375	N	97.9	Very high	97.7	Very high	28 Å²	28	34.8 Å²	34.8	15%	0.15	19%	0.186	C	C	.	.	H	α-helix	trans	-50.3	-43.7	168.4	-82.3	-32.9	0	0	0	111.6	F377 L378 I379 V394 L395 E396	N375-F377 PolarHBondContact O-N 3.27Å; N375-L378 WeakPolarHBondContact O-CB 3.41Å; N375-L378 PolarHBondContact O-N 3.48Å; N375-I379 WeakPolarHBondContact O-CD1 3.3Å; N375-I379 VanDerWaalsContact O-CG1 3.27Å; N375-I379 WeakPolarHBondContact O-CG1 3.33Å; N375-I379 PolarHBondContact O-N 2.96Å; N375-V394 WeakPolarHBondContact OD1-CB 3.48Å; N375-V394 PolarHBondContact OD1-N 3.03Å; N375-L395 VanDerWaalsContact OD1-CB 3.28Å; N375-L395 WeakPolarHBondContact OD1-CB 3.41Å; N375-L395 WeakPolarHBondContact OD1-CD1 3.35Å; N375-L395 WeakPolarHBondContact OD1-CG 3.49Å; N375-L395 PolarHBondContact OD1-N 3.35Å; N375-E396 PolarHBondContact ND2-OE1 2.83Å; N375-E396 PolarHBondContact ND2-OE2 3.11Å
376	Q	97.3	Very high	97.6	Very high	83 Å²	83	34.9 Å²	34.9	39%	0.388	19%	0.186	S	C	.	.	H	α-helix	trans	-64.6	-39.5	-179.7	-169	62.1	54.3	0	0	112.4	S374 L378 I379 N380	S374-Q376 PolarHBondContact O-N 3.42Å; S374-Q376 PolarHBondContact OG-N 3.16Å; Q376-L378 VanDerWaalsContact C-N 3.35Å; Q376-I379 PolarHBondContact O-N 3.04Å; Q376-N380 PolarHBondContact NE2-OD1 3.07Å; Q376-N380 WeakPolarHBondContact O-CB 3.11Å; Q376-N380 PolarHBondContact O-N 2.87Å; Q376-N380 PolarHBondContact O-ND2 3.25Å; Q376-N380 PolarHBondContact O-OD1 2.91Å
377	F	97.7	Very high	97.5	Very high	5 Å²	5	39.5 Å²	39.5	2%	0.022	21%	0.211	C	C	.	.	H	α-helix	trans	-62	-43.8	174.1	176.4	-84.2	0	0	0	111.3	V373 S374 N375 I379 N380 T381 Q509 R512 E513 M518	V373-F377 HydrophobicContact CB-CB 4.13Å; V373-F377 HydrophobicContact CB-CD1 3.55Å; V373-F377 HydrophobicContact CB-CE1 4.12Å; V373-F377 HydrophobicContact CB-CG 3.9Å; V373-F377 HydrophobicContact CG1-CD1 3.79Å; V373-F377 HydrophobicContact CG1-CE1 3.88Å; V373-F377 HydrophobicContact CG1-CG 4.16Å; V373-F377 HydrophobicContact CG1-CZ 4.32Å; V373-F377 HydrophobicContact CG2-CD1 3.56Å; V373-F377 HydrophobicContact CG2-CE1 4.02Å; V373-F377 HydrophobicContact CG2-CG 4.38Å; S374-F377 WeakPolarHBondContact O-CB 3.29Å; S374-F377 PolarHBondContact O-N 2.8Å; S374-F377 VanDerWaalsContact O-N 3.14Å; S374-F377 PolarHBondContact OG-N 3.43Å; S374-F377 VanDerWaalsContact OG-N 3.17Å; N375-F377 PolarHBondContact O-N 3.27Å; F377-I379 VanDerWaalsContact C-N 3.33Å; F377-I379 PolarHBondContact O-N 3.04Å; F377-N380 PolarHBondContact O-N 3.26Å; F377-T381 HydrophobicContact CD1-CG2 4.29Å; F377-T381 HydrophobicContact CD2-CG2 4.42Å; F377-T381 HydrophobicContact CE1-CG2 4.03Å; F377-T381 HydrophobicContact CE2-CG2 4.16Å; F377-T381 HydrophobicContact CG-CG2 4.48Å; F377-T381 HydrophobicContact CZ-CG2 3.96Å; F377-T381 WeakPolarHBondContact O-CB 3.48Å; F377-T381 WeakPolarHBondContact O-CG2 3.47Å; F377-T381 PolarHBondContact O-N 3.07Å; F377-T381 PolarHBondContact O-OG1 2.73Å; F377-Q509 HydrophobicContact CD2-CG 3.9Å; F377-Q509 HydrophobicContact CE2-CG 4.43Å; F377-Q509 HydrophobicContact CG-CG 4.32Å; F377-R512 HydrophobicContact CE2-CB 4.09Å; F377-R512 HydrophobicContact CZ-CB 3.95Å; F377-E513 HydrophobicContact CD2-CG 3.63Å; F377-E513 HydrophobicContact CE2-CG 3.64Å; F377-M518 HydrophobicContact CD2-CE 4.5Å
378	L	97.9	Very high	97.4	Very high	10 Å²	10	43.5 Å²	43.5	5%	0.052	23%	0.23	C	C	.	.	H	α-helix	trans	-62.5	-39.2	178.6	-69.4	-178.7	0	0	0	112.7	P371 V373 S374 N375 Q376 T381 N382 S383 L385 A386 V394 L395	P371-L378 HydrophobicContact CG-CD1 4.48Å; P371-L378 HydrophobicContact CG-CD2 4.44Å; V373-L378 HydrophobicContact CG2-CD2 3.77Å; V373-L378 HydrophobicContact CG2-CG 4.12Å; S374-L378 PolarHBondContact O-N 3.18Å; S374-L378 VanDerWaalsContact O-N 3.1Å; N375-L378 WeakPolarHBondContact O-CB 3.41Å; N375-L378 PolarHBondContact O-N 3.48Å; Q376-L378 VanDerWaalsContact C-N 3.35Å; L378-T381 PolarHBondContact O-OG1 3.36Å; L378-N382 PolarHBondContact O-N 2.92Å; L378-S383 WeakPolarHBondContact CB-OG 3.38Å; L378-S383 WeakPolarHBondContact O-CB 3.5Å; L378-S383 PolarHBondContact O-N 2.82Å; L378-S383 PolarHBondContact O-OG 3.1Å; L378-L385 HydrophobicContact CD1-CB 4.46Å; L378-L385 HydrophobicContact CD1-CD1 4.22Å; L378-A386 HydrophobicContact CB-CB 4.41Å; L378-A386 WeakPolarHBondContact O-CB 3.22Å; L378-V394 HydrophobicContact CD1-CG1 3.98Å; L378-L395 HydrophobicContact CD1-CD1 4.37Å; L378-L395 HydrophobicContact CD1-CD2 3.64Å; L378-L395 HydrophobicContact CD1-CG 3.79Å
379	I	97.8	Very high	97.3	Very high	39 Å²	39	45.4 Å²	45.4	20%	0.2	24%	0.237	C	C	.	.	H	α-helix	trans	-68.1	-52.5	176.3	-66	163.1	0	0	0	110.2	N375 Q376 F377 T381 N382 A386 D391 V394	N375-I379 WeakPolarHBondContact O-CD1 3.3Å; N375-I379 VanDerWaalsContact O-CG1 3.27Å; N375-I379 WeakPolarHBondContact O-CG1 3.33Å; N375-I379 PolarHBondContact O-N 2.96Å; Q376-I379 PolarHBondContact O-N 3.04Å; F377-I379 VanDerWaalsContact C-N 3.33Å; F377-I379 PolarHBondContact O-N 3.04Å; I379-T381 PolarHBondContact O-N 3.05Å; I379-N382 PolarHBondContact O-N 3.46Å; I379-A386 HydrophobicContact CG1-CB 4.14Å; I379-D391 HydrophobicContact CD1-CB 3.92Å; I379-D391 HydrophobicContact CG1-CB 3.91Å; I379-D391 HydrophobicContact CG2-CB 4.36Å; I379-V394 HydrophobicContact CG1-CG2 4.34Å
380	N	97.1	Very high	97.3	Very high	84 Å²	84	50.6 Å²	50.6	45%	0.449	27%	0.265	S	S	.	.	H	α-helix	trans	-59.7	-26.9	-178.3	-71.3	-8.3	0	0	0	112.7	Q376 F377 M518	Q376-N380 PolarHBondContact NE2-OD1 3.07Å; Q376-N380 WeakPolarHBondContact O-CB 3.11Å; Q376-N380 PolarHBondContact O-N 2.87Å; Q376-N380 PolarHBondContact O-ND2 3.25Å; Q376-N380 PolarHBondContact O-OD1 2.91Å; F377-N380 PolarHBondContact O-N 3.26Å; N380-M518 HydrophobicContact CB-CE 3.62Å
381	T	97.1	Very high	97.3	Very high	32 Å²	32	54.5 Å²	54.5	20%	0.196	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	4.4	-179.4	61.3	0	0	0	0	113.6	F377 L378 I379 S383 R516 M518	F377-T381 HydrophobicContact CD1-CG2 4.29Å; F377-T381 HydrophobicContact CD2-CG2 4.42Å; F377-T381 HydrophobicContact CE1-CG2 4.03Å; F377-T381 HydrophobicContact CE2-CG2 4.16Å; F377-T381 HydrophobicContact CG-CG2 4.48Å; F377-T381 HydrophobicContact CZ-CG2 3.96Å; F377-T381 WeakPolarHBondContact O-CB 3.48Å; F377-T381 WeakPolarHBondContact O-CG2 3.47Å; F377-T381 PolarHBondContact O-N 3.07Å; F377-T381 PolarHBondContact O-OG1 2.73Å; L378-T381 PolarHBondContact O-OG1 3.36Å; I379-T381 PolarHBondContact O-N 3.05Å; T381-S383 PolarHBondContact O-N 3.41Å; T381-R516 PolarHBondContact OG1-NH1 3.06Å; T381-M518 HydrophobicContact CG2-CE 3.9Å; T381-M518 HydrophobicContact CG2-SD 3.48Å; T381-M518 WeakPolarHBondContact CG2-SD 3.22Å
382	N	96.5	Very high	97.2	Very high	119 Å²	119	55.9 Å²	55.9	64%	0.636	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	41.4	-178.3	-57.7	-92	0	0	0	111.8	L378 I379	L378-N382 PolarHBondContact O-N 2.92Å; I379-N382 PolarHBondContact O-N 3.46Å
383	S	96.7	Very high	97.2	Very high	24 Å²	24	56.4 Å²	56.4	17%	0.168	30%	0.3	C	S	.	.			trans	-62.5	153.9	-178.4	68.1	0	0	0	0	111.4	L378 T381 L385 A386 L387	L378-S383 WeakPolarHBondContact CB-OG 3.38Å; L378-S383 WeakPolarHBondContact O-CB 3.5Å; L378-S383 PolarHBondContact O-N 2.82Å; L378-S383 PolarHBondContact O-OG 3.1Å; T381-S383 PolarHBondContact O-N 3.41Å; S383-L385 PolarHBondContact O-N 2.91Å; S383-A386 PolarHBondContact O-N 3.45Å; S383-A386 WeakPolarHBondContact OG-CB 3.48Å; S383-A386 PolarHBondContact OG-N 3.14Å; S383-L387 WeakPolarHBondContact O-CG 3.36Å; S383-L387 PolarHBondContact O-N 3.45Å
384	E	96.5	Very high	97.2	Very high	158 Å²	158	56.2 Å²	56.2	74%	0.738	30%	0.299	S	S	*	.	H	α-helix	trans	-55.5	-34.6	175.6	-68.5	-67.9	164.3	0	0	112.3	M388	E384-M388 WeakPolarHBondContact O-CB 3.48Å; E384-M388 PolarHBondContact O-N 3.21Å
385	L	96.2	Very high	97.2	Very high	32 Å²	32	54.3 Å²	54.3	17%	0.168	29%	0.285	C	S	.	.	H	α-helix	trans	-64.9	-48.5	175.5	-67.1	-179.5	0	0	0	111.4	L378 S383 L387 M388 Y389 V394 H398	L378-L385 HydrophobicContact CD1-CB 4.46Å; L378-L385 HydrophobicContact CD1-CD1 4.22Å; S383-L385 PolarHBondContact O-N 2.91Å; L385-L387 VanDerWaalsContact C-N 3.33Å; L385-L387 PolarHBondContact O-N 3.28Å; L385-M388 HydrophobicContact CD2-CE 3.79Å; L385-M388 PolarHBondContact O-N 3.09Å; L385-Y389 HydrophobicContact CD2-CE2 4.26Å; L385-Y389 VanDerWaalsContact O-CD2 3.3Å; L385-Y389 WeakPolarHBondContact O-CD2 3.36Å; L385-Y389 PolarHBondContact O-N 3.25Å; L385-V394 VanDerWaalsContact C-CG1 3.46Å; L385-V394 HydrophobicContact CB-CG1 3.7Å; L385-H398 HydrophobicContact CD2-CB 4.46Å; L385-H398 WeakPolarHBondContact CD2-ND1 3.48Å
386	A	96.9	Very high	97.3	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.008	28%	0.282	C	S	.	.	H	α-helix	trans	-60.9	-43.9	179.4	0	0	0	0	0	111.6	L378 I379 S383 M388 Y389 N390 D391 V394	L378-A386 HydrophobicContact CB-CB 4.41Å; L378-A386 WeakPolarHBondContact O-CB 3.22Å; I379-A386 HydrophobicContact CG1-CB 4.14Å; S383-A386 PolarHBondContact O-N 3.45Å; S383-A386 WeakPolarHBondContact OG-CB 3.48Å; S383-A386 PolarHBondContact OG-N 3.14Å; A386-M388 PolarHBondContact O-N 3.08Å; A386-Y389 PolarHBondContact O-N 3.46Å; A386-N390 WeakPolarHBondContact O-CA 3.49Å; A386-N390 PolarHBondContact O-N 3.46Å; A386-D391 PolarHBondContact O-N 3.17Å; A386-D391 VanDerWaalsContact O-N 3.07Å; A386-V394 HydrophobicContact CB-CG1 4.41Å; A386-V394 HydrophobicContact CB-CG2 4.37Å
387	L	96.7	Very high	97.3	Very high	98 Å²	98	52.3 Å²	52.3	51%	0.513	28%	0.277	S	S	.	.	H	α-helix	trans	-62.5	-42.5	174.9	-66.8	172.5	0	0	0	112.3	S383 L385	S383-L387 WeakPolarHBondContact O-CG 3.36Å; S383-L387 PolarHBondContact O-N 3.45Å; L385-L387 VanDerWaalsContact C-N 3.33Å; L385-L387 PolarHBondContact O-N 3.28Å
388	M	96.1	Very high	97.3	Very high	95 Å²	95	52.1 Å²	52.1	47%	0.468	28%	0.276	S	S	.	.	H	α-helix	trans	-66.3	-38.5	-179.8	179.9	164.8	59.4	0	0	112.5	E384 L385 A386	E384-M388 WeakPolarHBondContact O-CB 3.48Å; E384-M388 PolarHBondContact O-N 3.21Å; L385-M388 HydrophobicContact CD2-CE 3.79Å; L385-M388 PolarHBondContact O-N 3.09Å; A386-M388 PolarHBondContact O-N 3.08Å
389	Y	97.2	Very high	97.4	Very high	40 Å²	40	51.7 Å²	51.7	16%	0.157	27%	0.274	C	S	.	.	H	α-helix	trans	-99.5	7.4	-177.9	-63.2	-62.7	0	0	0	114.3	L385 A386 D391 S392 V394 N397 H398 A401	L385-Y389 HydrophobicContact CD2-CE2 4.26Å; L385-Y389 VanDerWaalsContact O-CD2 3.3Å; L385-Y389 WeakPolarHBondContact O-CD2 3.36Å; L385-Y389 PolarHBondContact O-N 3.25Å; A386-Y389 PolarHBondContact O-N 3.46Å; Y389-D391 VanDerWaalsContact C-N 3.31Å; Y389-D391 PolarHBondContact O-N 3.36Å; Y389-S392 PolarHBondContact O-N 2.66Å; Y389-V394 HydrophobicContact CD2-CG1 4.16Å; Y389-V394 VanDerWaalsContact CD2-O 3.23Å; Y389-V394 WeakPolarHBondContact CD2-O 3.13Å; Y389-N397 HydrophobicContact CD1-CB 3.45Å; Y389-N397 VanDerWaalsContact CD1-CB 3.45Å; Y389-N397 HydrophobicContact CD2-CB 4.36Å; Y389-N397 HydrophobicContact CE1-CB 3.57Å; Y389-N397 HydrophobicContact CE2-CB 4.44Å; Y389-N397 HydrophobicContact CG-CB 3.88Å; Y389-H398 HydrophobicContact CD2-CB 4.48Å; Y389-H398 HydrophobicContact CE2-CB 3.64Å; Y389-H398 WeakPolarHBondContact OH-CA 3.28Å; Y389-A401 VanDerWaalsContact OH-CB 3.32Å; Y389-A401 WeakPolarHBondContact OH-CB 3.47Å
390	N	97.5	Very high	97.4	Very high	130 Å²	130	50.3 Å²	50.3	70%	0.695	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	46.8	176.4	-49.4	-86.2	0	0	0	112.4	A386 S392	A386-N390 WeakPolarHBondContact O-CA 3.49Å; A386-N390 PolarHBondContact O-N 3.46Å; N390-S392 PolarHBondContact O-N 3.13Å
391	D	97.8	Very high	97.5	Very high	91 Å²	91	47.8 Å²	47.8	49%	0.487	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	12.5	175.3	-50.6	-31.7	0	0	0	115.9	I379 A386 Y389	I379-D391 HydrophobicContact CD1-CB 3.92Å; I379-D391 HydrophobicContact CG1-CB 3.91Å; I379-D391 HydrophobicContact CG2-CB 4.36Å; A386-D391 PolarHBondContact O-N 3.17Å; A386-D391 VanDerWaalsContact O-N 3.07Å; Y389-D391 VanDerWaalsContact C-N 3.31Å; Y389-D391 PolarHBondContact O-N 3.36Å
392	S	96.5	Very high	97.5	Very high	55 Å²	55	46.3 Å²	46.3	39%	0.385	25%	0.248	S	C	.	.	S	Bend	trans	-113.9	111.5	-176.6	-173.7	0	0	0	0	111.3	Y389 N390 V394 N397	Y389-S392 PolarHBondContact O-N 2.66Å; N390-S392 PolarHBondContact O-N 3.13Å; S392-V394 VanDerWaalsContact C-N 3.3Å; S392-V394 PolarHBondContact O-N 2.96Å; S392-N397 PolarHBondContact O-ND2 3.27Å; S392-N397 VanDerWaalsContact O-ND2 3.15Å
393	S	97.5	Very high	97.6	Very high	13 Å²	13	40.6 Å²	40.6	9%	0.091	22%	0.218	C	C	.	.	S	Bend	trans	47.6	55	179.6	-48	0	0	0	0	110.8	E396 N397 D438	S393-E396 WeakPolarHBondContact CA-OE2 3.5Å; S393-E396 VanDerWaalsContact CB-OE2 3.29Å; S393-E396 WeakPolarHBondContact CB-OE2 3.38Å; S393-E396 PolarHBondContact O-N 3.16Å; S393-N397 WeakPolarHBondContact O-CB 3.33Å; S393-N397 PolarHBondContact O-N 3.21Å; S393-N397 PolarHBondContact O-ND2 3.24Å; S393-D438 WeakPolarHBondContact CB-OD2 3.29Å; S393-D438 PolarHBondContact OG-OD2 2.76Å
394	V	98.4	Very high	97.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62.6	-48.8	-164.3	173.6	0	0	0	0	110.5	N375 L378 I379 L385 A386 Y389 S392 H398	N375-V394 WeakPolarHBondContact OD1-CB 3.48Å; N375-V394 PolarHBondContact OD1-N 3.03Å; L378-V394 HydrophobicContact CD1-CG1 3.98Å; I379-V394 HydrophobicContact CG1-CG2 4.34Å; L385-V394 VanDerWaalsContact C-CG1 3.46Å; L385-V394 HydrophobicContact CB-CG1 3.7Å; A386-V394 HydrophobicContact CB-CG1 4.41Å; A386-V394 HydrophobicContact CB-CG2 4.37Å; Y389-V394 HydrophobicContact CD2-CG1 4.16Å; Y389-V394 VanDerWaalsContact CD2-O 3.23Å; Y389-V394 WeakPolarHBondContact CD2-O 3.13Å; S392-V394 VanDerWaalsContact C-N 3.3Å; S392-V394 PolarHBondContact O-N 2.96Å; V394-H398 WeakPolarHBondContact O-CB 3.49Å; V394-H398 PolarHBondContact O-N 3.1Å
395	L	98.5	Very high	97.7	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.021	19%	0.189	C	C	.	.	H	α-helix	trans	-68.5	-47.2	178.6	-75	169.2	0	0	0	111.3	P371 V373 N375 L378 N397 H398 H399	P371-L395 VanDerWaalsContact CD-CD2 3.41Å; P371-L395 HydrophobicContact CG-CD2 3.91Å; V373-L395 WeakPolarHBondContact O-CD1 3.36Å; N375-L395 VanDerWaalsContact OD1-CB 3.28Å; N375-L395 WeakPolarHBondContact OD1-CB 3.41Å; N375-L395 WeakPolarHBondContact OD1-CD1 3.35Å; N375-L395 WeakPolarHBondContact OD1-CG 3.49Å; N375-L395 PolarHBondContact OD1-N 3.35Å; L378-L395 HydrophobicContact CD1-CD1 4.37Å; L378-L395 HydrophobicContact CD1-CD2 3.64Å; L378-L395 HydrophobicContact CD1-CG 3.79Å; L395-N397 VanDerWaalsContact C-N 3.33Å; L395-N397 PolarHBondContact O-N 2.99Å; L395-H398 CarbonylContact O-C 3.19Å; L395-H398 VanDerWaalsContact O-CA 3.32Å; L395-H398 WeakPolarHBondContact O-CA 3.37Å; L395-H398 VanDerWaalsContact O-CB 3.22Å; L395-H398 WeakPolarHBondContact O-CB 3.47Å; L395-H398 PolarHBondContact O-N 3.31Å; L395-H399 WeakPolarHBondContact CB-NE2 3.46Å; L395-H399 PolarHBondContact O-CD2 2.82Å; L395-H399 PolarHBondContact O-N 3.07Å; L395-H399 PolarHBondContact O-NE2 3.2Å
396	E	98.7	Very high	97.7	Very high	16 Å²	16	33.8 Å²	33.8	8%	0.075	18%	0.181	C	C	.	.	H	α-helix	trans	-65.3	-38.2	-174.6	-57.1	75.3	-154.5	0	0	111.5	N375 S393 H398 L400 L435 D438	N375-E396 PolarHBondContact ND2-OE1 2.83Å; N375-E396 PolarHBondContact ND2-OE2 3.11Å; S393-E396 WeakPolarHBondContact CA-OE2 3.5Å; S393-E396 VanDerWaalsContact CB-OE2 3.29Å; S393-E396 WeakPolarHBondContact CB-OE2 3.38Å; S393-E396 PolarHBondContact O-N 3.16Å; E396-H398 VanDerWaalsContact C-N 3.34Å; E396-L400 WeakPolarHBondContact O-CG 3.48Å; E396-L400 PolarHBondContact O-N 2.65Å; E396-L400 VanDerWaalsContact O-N 3.17Å; E396-L435 HydrophobicContact CB-CD2 4.08Å; E396-D438 HydrophobicContact CG-CB 3.84Å
397	N	98.5	Very high	97.7	Very high	52 Å²	52	34.2 Å²	34.2	28%	0.278	18%	0.183	S	C	.	.	H	α-helix	trans	-64.5	-38.5	170	-81.5	-75.9	0	0	0	112.2	Y389 S392 S393 L395 A401	Y389-N397 HydrophobicContact CD1-CB 3.45Å; Y389-N397 VanDerWaalsContact CD1-CB 3.45Å; Y389-N397 HydrophobicContact CD2-CB 4.36Å; Y389-N397 HydrophobicContact CE1-CB 3.57Å; Y389-N397 HydrophobicContact CE2-CB 4.44Å; Y389-N397 HydrophobicContact CG-CB 3.88Å; S392-N397 PolarHBondContact O-ND2 3.27Å; S392-N397 VanDerWaalsContact O-ND2 3.15Å; S393-N397 WeakPolarHBondContact O-CB 3.33Å; S393-N397 PolarHBondContact O-N 3.21Å; S393-N397 PolarHBondContact O-ND2 3.24Å; L395-N397 VanDerWaalsContact C-N 3.33Å; L395-N397 PolarHBondContact O-N 2.99Å; N397-A401 WeakPolarHBondContact O-CB 3.44Å; N397-A401 PolarHBondContact O-N 3.28Å
398	H	98.3	Very high	97.7	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.009	18%	0.183	C	C	.	.	H	α-helix	trans	-64.1	-46.9	177.1	-173	57.1	0	0	0	112.3	D369 L385 Y389 V394 L395 E396 L400 A401 V402	D369-H398 IonicContact OD2-CD2 3.76Å; D369-H398 IonicContact OD2-CE1 2.67Å; D369-H398 PolarHBondContact OD2-CE1 3.29Å; D369-H398 IonicContact OD2-NE2 3.54Å; D369-H398 PolarHBondContact OD2-NE2 3.36Å; L385-H398 HydrophobicContact CD2-CB 4.46Å; L385-H398 WeakPolarHBondContact CD2-ND1 3.48Å; Y389-H398 HydrophobicContact CD2-CB 4.48Å; Y389-H398 HydrophobicContact CE2-CB 3.64Å; Y389-H398 WeakPolarHBondContact OH-CA 3.28Å; V394-H398 WeakPolarHBondContact O-CB 3.49Å; V394-H398 PolarHBondContact O-N 3.1Å; L395-H398 CarbonylContact O-C 3.19Å; L395-H398 VanDerWaalsContact O-CA 3.32Å; L395-H398 WeakPolarHBondContact O-CA 3.37Å; L395-H398 VanDerWaalsContact O-CB 3.22Å; L395-H398 WeakPolarHBondContact O-CB 3.47Å; L395-H398 PolarHBondContact O-N 3.31Å; E396-H398 VanDerWaalsContact C-N 3.34Å; H398-L400 VanDerWaalsContact C-N 3.33Å; H398-L400 PolarHBondContact O-N 3.18Å; H398-A401 WeakPolarHBondContact O-CB 3.46Å; H398-A401 PolarHBondContact O-N 2.99Å; H398-A401 VanDerWaalsContact O-N 3.08Å; H398-V402 WeakPolarHBondContact O-CG2 3.49Å; H398-V402 PolarHBondContact O-N 3.28Å
399	H	98.6	Very high	97.5	Very high	1 Å²	1	33 Å²	33	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-56.3	-47	176.8	-57.7	-34.3	0	0	0	111.3	H366 D367 V368 H370 L395 A401 V402 G403 V434	H366-H399 WeakPolarHBondContact O-CB 3.35Å; H366-H399 PolarHBondContact O-CD2 2.92Å; D367-H399 IonicContact OD1-CD2 2.94Å; D367-H399 IonicContact OD1-NE2 2.64Å; V368-H399 HydrophobicContact CG1-CB 4.33Å; V368-H399 VanDerWaalsContact CG1-O 3.24Å; V368-H399 WeakPolarHBondContact CG1-O 3.37Å; V368-H399 PolarHBondContact O-ND1 3.22Å; H370-H399 AromaticContact CD2-CE1 3.9Å; H370-H399 AromaticContact CD2-NE2 3.7Å; L395-H399 WeakPolarHBondContact CB-NE2 3.46Å; L395-H399 PolarHBondContact O-CD2 2.82Å; L395-H399 PolarHBondContact O-N 3.07Å; L395-H399 PolarHBondContact O-NE2 3.2Å; H399-A401 PolarHBondContact O-N 3.24Å; H399-V402 PolarHBondContact O-N 3.02Å; H399-G403 PolarHBondContact O-N 3.27Å; H399-V434 HydrophobicContact CB-CG1 4.38Å
400	L	98.7	Very high	97.3	Very high	10 Å²	10	37.6 Å²	37.6	5%	0.052	20%	0.197	C	C	.	.	H	α-helix	trans	-59.5	-47.3	172.7	-78.5	166.8	0	0	0	112.7	I365 E396 H398 F404 V430 I431 V434 L435	I365-L400 HydrophobicContact CD1-CD2 4.32Å; E396-L400 WeakPolarHBondContact O-CG 3.48Å; E396-L400 PolarHBondContact O-N 2.65Å; E396-L400 VanDerWaalsContact O-N 3.17Å; H398-L400 VanDerWaalsContact C-N 3.33Å; H398-L400 PolarHBondContact O-N 3.18Å; L400-F404 HydrophobicContact CD2-CD2 4.27Å; L400-F404 HydrophobicContact CD2-CE2 3.89Å; L400-F404 WeakPolarHBondContact O-CB 3.34Å; L400-F404 WeakPolarHBondContact O-CD2 3.24Å; L400-F404 PolarHBondContact O-N 3.5Å; L400-V430 HydrophobicContact CD2-CG1 3.95Å; L400-I431 HydrophobicContact CD1-CB 4.31Å; L400-I431 HydrophobicContact CD1-CG1 4.21Å; L400-I431 HydrophobicContact CD1-CG2 4.16Å; L400-I431 HydrophobicContact CD2-CB 4.48Å; L400-I431 HydrophobicContact CD2-CG1 3.98Å; L400-V434 HydrophobicContact CD1-CB 4.08Å; L400-V434 HydrophobicContact CD1-CG1 4.26Å; L400-V434 HydrophobicContact CD2-CB 3.76Å; L400-V434 HydrophobicContact CD2-CG1 4.25Å; L400-V434 HydrophobicContact CD2-CG2 3.86Å; L400-V434 HydrophobicContact CG-CB 3.75Å; L400-V434 HydrophobicContact CG-CG1 3.77Å; L400-V434 HydrophobicContact CG-CG2 4.32Å; L400-L435 HydrophobicContact CD1-CD2 3.96Å; L400-L435 HydrophobicContact CD1-CG 3.82Å
401	A	98.1	Very high	97.2	Very high	30 Å²	30	34.2 Å²	34.2	25%	0.248	18%	0.179	C	C	.	.	H	α-helix	trans	-61.6	-46.2	-177.8	0	0	0	0	0	111.2	I228 Y389 N397 H398 H399 K405	I228-A401 HydrophobicContact CD1-CB 3.72Å; I228-A401 WeakPolarHBondContact CD1-O 3.47Å; Y389-A401 VanDerWaalsContact OH-CB 3.32Å; Y389-A401 WeakPolarHBondContact OH-CB 3.47Å; N397-A401 WeakPolarHBondContact O-CB 3.44Å; N397-A401 PolarHBondContact O-N 3.28Å; H398-A401 WeakPolarHBondContact O-CB 3.46Å; H398-A401 PolarHBondContact O-N 2.99Å; H398-A401 VanDerWaalsContact O-N 3.08Å; H399-A401 PolarHBondContact O-N 3.24Å; A401-K405 WeakPolarHBondContact O-CB 3.18Å; A401-K405 PolarHBondContact O-N 2.66Å
402	V	97.9	Very high	97.1	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.006	16%	0.156	C	C	.	.	H	α-helix	trans	-64.2	-54.8	176.5	173.5	0	0	0	0	110.5	I228 V368 D369 H398 H399 F404 K405 L406	I228-V402 HydrophobicContact CG2-CG2 4.21Å; V368-V402 HydrophobicContact CG1-CB 3.92Å; V368-V402 HydrophobicContact CG1-CG1 3.87Å; V368-V402 HydrophobicContact CG2-CG1 3.85Å; D369-V402 HydrophobicContact CB-CG1 4.34Å; D369-V402 HydrophobicContact CB-CG2 4.15Å; H398-V402 WeakPolarHBondContact O-CG2 3.49Å; H398-V402 PolarHBondContact O-N 3.28Å; H399-V402 PolarHBondContact O-N 3.02Å; V402-F404 PolarHBondContact O-N 3.01Å; V402-K405 WeakPolarHBondContact O-CA 3.45Å; V402-K405 WeakPolarHBondContact O-CB 3.48Å; V402-K405 PolarHBondContact O-N 2.96Å; V402-L406 HydrophobicContact CG1-CD1 4.35Å; V402-L406 HydrophobicContact CG1-CG 4.35Å; V402-L406 WeakPolarHBondContact O-CG 3.34Å; V402-L406 PolarHBondContact O-N 3.37Å
403	G	98.1	Very high	97.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-55.1	-46.5	-177.5	0	0	0	0	0	113.2	Y311 H399 L406	Y311-G403 PolarHBondContact OH-O 2.94Å; Y311-G403 VanDerWaalsContact OH-O 3.12Å; H399-G403 PolarHBondContact O-N 3.27Å; G403-L406 PolarHBondContact O-N 3Å
404	F	98.3	Very high	97.2	Very high	20 Å²	20	27.9 Å²	27.9	9%	0.088	14%	0.14	C	C	.	.	H	α-helix	trans	-72.5	-27.3	175.5	-80.7	-76.2	0	0	0	113.8	F361 L400 V402 L407 R427 V430 I431	F361-F404 HydrophobicContact CE1-CE1 4.4Å; F361-F404 HydrophobicContact CE1-CZ 4.25Å; L400-F404 HydrophobicContact CD2-CD2 4.27Å; L400-F404 HydrophobicContact CD2-CE2 3.89Å; L400-F404 WeakPolarHBondContact O-CB 3.34Å; L400-F404 WeakPolarHBondContact O-CD2 3.24Å; L400-F404 PolarHBondContact O-N 3.5Å; V402-F404 PolarHBondContact O-N 3.01Å; F404-L407 HydrophobicContact CD1-CD1 3.72Å; F404-L407 HydrophobicContact CE1-CD1 4.31Å; F404-R427 VanDerWaalsContact CD1-NH1 3.31Å; F404-R427 VanDerWaalsContact CD2-NH1 3.33Å; F404-R427 HydrophobicContact CE1-CB 4.14Å; F404-R427 HydrophobicContact CE1-CG 4.13Å; F404-R427 HydrophobicContact CE2-CG 4.43Å; F404-R427 HydrophobicContact CZ-CB 4.11Å; F404-R427 HydrophobicContact CZ-CG 3.93Å; F404-V430 HydrophobicContact CE2-CB 4.18Å; F404-V430 HydrophobicContact CE2-CG1 3.66Å; F404-V430 HydrophobicContact CZ-CB 3.9Å; F404-V430 HydrophobicContact CZ-CG1 3.77Å; F404-V430 HydrophobicContact CZ-CG2 4.45Å; F404-I431 HydrophobicContact CE2-CG1 4.37Å
405	K	97	Very high	97.2	Very high	51 Å²	51	28 Å²	28	22%	0.222	14%	0.14	C	C	.	.	H	α-helix	trans	-68.8	-38.4	176.2	179	62.2	-175.6	178.1	0	111.3	I228 V231 A401 V402 L407 Q408	I228-K405 HydrophobicContact CD1-CB 3.91Å; I228-K405 HydrophobicContact CD1-CG 4.15Å; V231-K405 HydrophobicContact CG2-CG 4.06Å; A401-K405 WeakPolarHBondContact O-CB 3.18Å; A401-K405 PolarHBondContact O-N 2.66Å; V402-K405 WeakPolarHBondContact O-CA 3.45Å; V402-K405 WeakPolarHBondContact O-CB 3.48Å; V402-K405 PolarHBondContact O-N 2.96Å; K405-L407 PolarHBondContact O-N 3.15Å; K405-Q408 WeakPolarHBondContact O-CB 3.47Å; K405-Q408 PolarHBondContact O-N 3.29Å
406	L	96.9	Very high	97.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-59.9	-29.5	178.3	-65.7	-176.1	0	0	0	112.9	V231 Y311 T314 L315 V402 G403 Q408 E409 C412	V231-L406 HydrophobicContact CG1-CD2 3.75Å; Y311-L406 HydrophobicContact CD2-CB 4.39Å; Y311-L406 HydrophobicContact CE2-CB 3.8Å; T314-L406 HydrophobicContact CG2-CD1 4.5Å; T314-L406 HydrophobicContact CG2-CD2 3.96Å; L315-L406 HydrophobicContact CB-CD1 4.23Å; L315-L406 HydrophobicContact CD1-CD1 4.02Å; V402-L406 HydrophobicContact CG1-CD1 4.35Å; V402-L406 HydrophobicContact CG1-CG 4.35Å; V402-L406 WeakPolarHBondContact O-CG 3.34Å; V402-L406 PolarHBondContact O-N 3.37Å; G403-L406 PolarHBondContact O-N 3Å; L406-Q408 PolarHBondContact O-N 3.25Å; L406-Q408 VanDerWaalsContact O-N 3.14Å; L406-E409 WeakPolarHBondContact O-CB 3.43Å; L406-E409 PolarHBondContact O-N 3.27Å; L406-E409 VanDerWaalsContact O-N 3.12Å; L406-C412 WeakPolarHBondContact O-CB 3.27Å
407	L	97	Very high	97	Very high	10 Å²	10	35.5 Å²	35.5	5%	0.052	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-18.5	173.8	-63.5	167.4	0	0	0	113.7	Y311 F361 F404 K405 E409 C412 D413 I414 F415	Y311-L407 HydrophobicContact CD2-CD2 3.73Å; Y311-L407 HydrophobicContact CD2-CG 4.37Å; Y311-L407 HydrophobicContact CE2-CD2 3.47Å; Y311-L407 VanDerWaalsContact CE2-CD2 3.47Å; Y311-L407 HydrophobicContact CE2-CG 3.75Å; F361-L407 HydrophobicContact CZ-CD1 4.3Å; F404-L407 HydrophobicContact CD1-CD1 3.72Å; F404-L407 HydrophobicContact CE1-CD1 4.31Å; K405-L407 PolarHBondContact O-N 3.15Å; L407-E409 VanDerWaalsContact C-N 3.34Å; L407-C412 WeakPolarHBondContact CD2-O 3.3Å; L407-D413 WeakPolarHBondContact O-CB 3.32Å; L407-I414 HydrophobicContact CD2-CG1 3.67Å; L407-F415 HydrophobicContact CD1-CD2 3.62Å; L407-F415 HydrophobicContact CD1-CE2 3.71Å; L407-F415 HydrophobicContact CD2-CD2 4.05Å; L407-F415 HydrophobicContact CD2-CE2 4.13Å
408	Q	95.1	Very high	97	Very high	109 Å²	109	33.8 Å²	33.8	51%	0.509	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-8.4	179	-59.2	177.7	10.9	0	0	113.1	K405 L406	K405-Q408 WeakPolarHBondContact O-CB 3.47Å; K405-Q408 PolarHBondContact O-N 3.29Å; L406-Q408 PolarHBondContact O-N 3.25Å; L406-Q408 VanDerWaalsContact O-N 3.14Å
409	E	93	Very high	97	Very high	57 Å²	57	37.4 Å²	37.4	27%	0.266	19%	0.191	S	C	.	.	S	Bend	trans	-71.9	165.6	175.7	-68.3	-60.9	142.8	0	0	112.1	L234 L406 L407 N411 C412	L234-E409 HydrophobicContact CD1-CB 3.33Å; L234-E409 HydrophobicContact CD1-CG 3.52Å; L234-E409 WeakPolarHBondContact CD1-OE2 3.25Å; L406-E409 WeakPolarHBondContact O-CB 3.43Å; L406-E409 PolarHBondContact O-N 3.27Å; L406-E409 VanDerWaalsContact O-N 3.12Å; L407-E409 VanDerWaalsContact C-N 3.34Å; E409-N411 PolarHBondContact O-N 3.12Å; E409-C412 HydrophobicContact CB-CB 3.97Å; E409-C412 PolarHBondContact O-N 2.71Å
410	E	92.8	Very high	96.9	Very high	138 Å²	138	43.2 Å²	43.2	65%	0.645	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	125	-178.7	-174.6	172.7	-156.5	0	0	111.5	L234 C412	L234-E410 WeakPolarHBondContact CD2-O 3.34Å; E410-C412 PolarHBondContact O-N 3.34Å
411	N	94.8	Very high	96.8	Very high	59 Å²	59	50.3 Å²	50.3	32%	0.316	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	25.8	-179.2	-163.4	39.7	0	0	0	114.8	D306 T307 T310 E409	D306-N411 PolarHBondContact OD2-ND2 2.8Å; T307-N411 WeakPolarHBondContact CA-O 3.5Å; T307-N411 VanDerWaalsContact CG2-O 3.3Å; T307-N411 WeakPolarHBondContact CG2-O 3.02Å; T307-N411 PolarHBondContact OG1-OD1 3Å; T310-N411 WeakPolarHBondContact CB-O 3.4Å; T310-N411 HydrophobicContact CG2-CB 4.34Å; T310-N411 PolarHBondContact OG1-ND2 3.31Å; E409-N411 PolarHBondContact O-N 3.12Å
412	C	96.7	Very high	96.7	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.249	C	C	.	.			trans	-105.5	-8.5	179.5	-75.9	0	0	0	0	114.2	Y311 L406 L407 E409 E410 I414	Y311-C412 HydrophobicContact CD2-CB 4.09Å; Y311-C412 VanDerWaalsContact CD2-O 3.27Å; Y311-C412 WeakPolarHBondContact CD2-O 3.27Å; L406-C412 WeakPolarHBondContact O-CB 3.27Å; L407-C412 WeakPolarHBondContact CD2-O 3.3Å; E409-C412 HydrophobicContact CB-CB 3.97Å; E409-C412 PolarHBondContact O-N 2.71Å; E410-C412 PolarHBondContact O-N 3.34Å; C412-I414 PolarHBondContact O-N 3.38Å
413	D	97.5	Very high	96.7	Very high	23 Å²	23	54.7 Å²	54.7	12%	0.123	26%	0.259	C	S	.	.			trans	-77.3	81.3	-176.7	-168.9	5.7	0	0	0	112.3	L407 F415 Q416 R423	L407-D413 WeakPolarHBondContact O-CB 3.32Å; D413-F415 PolarHBondContact O-N 3.2Å; D413-F415 VanDerWaalsContact O-N 3.09Å; D413-F415 PolarHBondContact OD1-N 3.46Å; D413-F415 VanDerWaalsContact OD1-N 3.13Å; D413-Q416 HydrophobicContact CB-CB 4.08Å; D413-Q416 WeakPolarHBondContact O-CB 3.37Å; D413-Q416 VanDerWaalsContact O-CG 3.24Å; D413-Q416 WeakPolarHBondContact O-CG 3.45Å; D413-Q416 PolarHBondContact O-N 3.23Å; D413-Q416 VanDerWaalsContact O-N 3.14Å; D413-Q416 PolarHBondContact OD1-N 2.87Å; D413-R423 VanDerWaalsContact CG-NH2 3.32Å; D413-R423 IonicContact OD1-CZ 2.66Å; D413-R423 IonicContact OD1-NH1 3.7Å; D413-R423 PolarHBondContact OD1-NH1 3.29Å; D413-R423 IonicContact OD1-NH2 3.14Å; D413-R423 PolarHBondContact OD1-NH2 3.03Å; D413-R423 IonicContact OD2-CZ 3.53Å; D413-R423 IonicContact OD2-NH1 3.66Å; D413-R423 PolarHBondContact OD2-NH1 3.03Å; D413-R423 IonicContact OD2-NH2 2.69Å; D413-R423 PolarHBondContact OD2-NH2 3.46Å; D413-R423 VanDerWaalsContact OD2-NH2 3.14Å
414	I	98.1	Very high	96.7	Very high	3 Å²	3	55.7 Å²	55.7	2%	0.015	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-13	175.7	60.9	166	0	0	0	113.1	I303 T307 L308 Y311 F361 L407 C412	I303-I414 WeakPolarHBondContact CG1-O 3.41Å; I303-I414 HydrophobicContact CG2-CB 3.94Å; I303-I414 HydrophobicContact CG2-CG2 4.13Å; T307-I414 HydrophobicContact CG2-CG2 4.2Å; L308-I414 HydrophobicContact CB-CG2 4.44Å; L308-I414 HydrophobicContact CD1-CG2 4.16Å; Y311-I414 HydrophobicContact CD1-CD1 4.16Å; Y311-I414 HydrophobicContact CD1-CG2 4.4Å; Y311-I414 HydrophobicContact CE1-CD1 4.33Å; Y311-I414 HydrophobicContact CG-CG2 4.1Å; F361-I414 HydrophobicContact CD2-CD1 3.86Å; F361-I414 HydrophobicContact CE2-CD1 3.84Å; L407-I414 HydrophobicContact CD2-CG1 3.67Å; C412-I414 PolarHBondContact O-N 3.38Å
415	F	98.1	Very high	96.6	Very high	3 Å²	3	56.3 Å²	56.3	1%	0.013	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	8.4	179.4	-55	-40.3	0	0	0	113.3	L357 F361 L407 D413 N417 L418 R423 L426	L357-F415 HydrophobicContact CD1-CE1 4.31Å; L357-F415 HydrophobicContact CD2-CD1 4.27Å; L357-F415 HydrophobicContact CD2-CE1 3.94Å; L357-F415 HydrophobicContact CG-CE1 4.22Å; F361-F415 HydrophobicContact CB-CZ 4.35Å; F361-F415 HydrophobicContact CD1-CE2 4.24Å; F361-F415 AromaticContact CD1-CZ 3.92Å; F361-F415 HydrophobicContact CD1-CZ 3.92Å; F361-F415 HydrophobicContact CD2-CE2 4.24Å; F361-F415 AromaticContact CD2-CZ 3.57Å; F361-F415 HydrophobicContact CD2-CZ 3.57Å; F361-F415 AromaticContact CE1-CE2 3.9Å; F361-F415 HydrophobicContact CE1-CE2 3.9Å; F361-F415 HydrophobicContact CE1-CZ 4.02Å; F361-F415 AromaticContact CE2-CE2 3.88Å; F361-F415 HydrophobicContact CE2-CE2 3.88Å; F361-F415 AromaticContact CE2-CZ 3.66Å; F361-F415 HydrophobicContact CE2-CZ 3.66Å; F361-F415 HydrophobicContact CG-CE2 4.39Å; F361-F415 AromaticContact CG-CZ 3.68Å; F361-F415 HydrophobicContact CG-CZ 3.68Å; F361-F415 AromaticContact CZ-CE2 3.71Å; F361-F415 HydrophobicContact CZ-CE2 3.71Å; F361-F415 AromaticContact CZ-CZ 3.9Å; F361-F415 HydrophobicContact CZ-CZ 3.9Å; L407-F415 HydrophobicContact CD1-CD2 3.62Å; L407-F415 HydrophobicContact CD1-CE2 3.71Å; L407-F415 HydrophobicContact CD2-CD2 4.05Å; L407-F415 HydrophobicContact CD2-CE2 4.13Å; D413-F415 PolarHBondContact O-N 3.2Å; D413-F415 VanDerWaalsContact O-N 3.09Å; D413-F415 PolarHBondContact OD1-N 3.46Å; D413-F415 VanDerWaalsContact OD1-N 3.13Å; F415-N417 PolarHBondContact O-N 3.35Å; F415-N417 VanDerWaalsContact O-N 3.12Å; F415-L418 HydrophobicContact CB-CD1 3.9Å; F415-L418 HydrophobicContact CB-CG 4.23Å; F415-L418 HydrophobicContact CD1-CD1 3.85Å; F415-L418 HydrophobicContact CG-CD1 4.1Å; F415-L418 WeakPolarHBondContact O-CB 3.48Å; F415-L418 PolarHBondContact O-N 3.49Å; F415-L418 VanDerWaalsContact O-N 3.11Å; F415-R423 HydrophobicContact CB-CG 4.48Å; F415-R423 WeakPolarHBondContact O-CD 3.46Å; F415-R423 PolarHBondContact O-NH1 2.95Å; F415-L426 HydrophobicContact CD1-CD1 4.16Å; F415-L426 HydrophobicContact CD2-CD2 4.11Å; F415-L426 HydrophobicContact CE1-CD1 3.8Å; F415-L426 HydrophobicContact CE1-CD2 4.25Å; F415-L426 HydrophobicContact CE2-CD2 3.64Å; F415-L426 HydrophobicContact CZ-CD1 4.06Å; F415-L426 HydrophobicContact CZ-CD2 3.72Å
416	Q	96.5	Very high	96.7	Very high	90 Å²	90	54 Å²	54	42%	0.421	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-29.2	-176.3	65.4	-175.1	-14.7	0	0	114.2	D413	D413-Q416 HydrophobicContact CB-CB 4.08Å; D413-Q416 WeakPolarHBondContact O-CB 3.37Å; D413-Q416 VanDerWaalsContact O-CG 3.24Å; D413-Q416 WeakPolarHBondContact O-CG 3.45Å; D413-Q416 PolarHBondContact O-N 3.23Å; D413-Q416 VanDerWaalsContact O-N 3.14Å; D413-Q416 PolarHBondContact OD1-N 2.87Å
417	N	97.6	Very high	96.7	Very high	87 Å²	87	57 Å²	57	47%	0.465	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	0.3	-176.9	-69.2	-38.5	0	0	0	114.1	K302 F415	K302-N417 HydrophobicContact CB-CB 4.13Å; K302-N417 PolarHBondContact O-ND2 2.97Å; F415-N417 PolarHBondContact O-N 3.35Å; F415-N417 VanDerWaalsContact O-N 3.12Å
418	L	97.8	Very high	96.7	Very high	15 Å²	15	59.9 Å²	59.9	8%	0.079	28%	0.284	C	S	.	.	S	Bend	trans	-77.1	147.1	172.4	-58.6	-171.2	0	0	0	110.7	F301 L354 L357 F415 Q422 R423 L426	F301-L418 HydrophobicContact CB-CD2 3.92Å; F301-L418 HydrophobicContact CD1-CD2 3.25Å; F301-L418 HydrophobicContact CE1-CD2 4.05Å; F301-L418 HydrophobicContact CG-CD2 3.9Å; L354-L418 HydrophobicContact CD1-CD1 4.28Å; L357-L418 HydrophobicContact CD2-CD1 4.42Å; F415-L418 HydrophobicContact CB-CD1 3.9Å; F415-L418 HydrophobicContact CB-CG 4.23Å; F415-L418 HydrophobicContact CD1-CD1 3.85Å; F415-L418 HydrophobicContact CG-CD1 4.1Å; F415-L418 WeakPolarHBondContact O-CB 3.48Å; F415-L418 PolarHBondContact O-N 3.49Å; F415-L418 VanDerWaalsContact O-N 3.11Å; L418-Q422 HydrophobicContact CB-CB 4.07Å; L418-R423 HydrophobicContact CB-CG 3.59Å; L418-R423 HydrophobicContact CD1-CG 4.3Å; L418-R423 HydrophobicContact CG-CG 4.48Å; L418-L426 HydrophobicContact CD1-CD1 4.04Å
419	T	97.8	Very high	96.9	Very high	79 Å²	79	54.7 Å²	54.7	49%	0.485	26%	0.26	S	S	.	.			trans	-64.8	158	170.8	63.7	0	0	0	0	111.4	K421 Q422 R423	T419-K421 VanDerWaalsContact C-N 3.25Å; T419-K421 PolarHBondContact O-N 3.2Å; T419-Q422 PolarHBondContact O-N 3.45Å; T419-Q422 WeakPolarHBondContact OG1-CB 3.17Å; T419-Q422 VanDerWaalsContact OG1-CG 3.27Å; T419-Q422 WeakPolarHBondContact OG1-CG 3.48Å; T419-Q422 PolarHBondContact OG1-N 3.43Å; T419-Q422 PolarHBondContact OG1-OE1 3.2Å; T419-R423 PolarHBondContact O-N 2.87Å
420	K	96.8	Very high	97.2	Very high	123 Å²	123	52 Å²	52	54%	0.535	25%	0.247	S	C	.	.	H	α-helix	trans	-52.2	-44.9	177.3	-173.7	-178.7	175.8	-172.1	0	111.9	E209 R423 Q424	E209-K420 IonicContact OE1-NZ 3.82Å; E209-K420 PolarHBondContact OE1-NZ 3.18Å; K420-R423 PolarHBondContact O-N 2.91Å; K420-Q424 WeakPolarHBondContact O-CG 3.31Å; K420-Q424 PolarHBondContact O-N 2.77Å; K420-Q424 PolarHBondContact O-OE1 2.94Å
421	K	96.1	Very high	97.4	Very high	159 Å²	159	47.7 Å²	47.7	69%	0.691	23%	0.228	S	C	*	.	H	α-helix	trans	-62.9	-43.3	177.8	-171.9	176.4	-178.8	179	0	112.4	T419 Q424 S425	T419-K421 VanDerWaalsContact C-N 3.25Å; T419-K421 PolarHBondContact O-N 3.2Å; K421-Q424 PolarHBondContact O-N 2.67Å; K421-S425 WeakPolarHBondContact O-CB 3.32Å; K421-S425 PolarHBondContact O-N 2.83Å
422	Q	97.8	Very high	97.6	Very high	65 Å²	65	46.6 Å²	46.6	30%	0.304	22%	0.223	S	C	.	.	H	α-helix	trans	-63.7	-42.9	175.2	-75.8	168.3	-51	0	0	111.7	L354 L418 T419 Q424 S425 L426	L354-Q422 HydrophobicContact CD1-CB 4.21Å; L354-Q422 HydrophobicContact CD2-CB 4.2Å; L354-Q422 HydrophobicContact CD2-CG 4.19Å; L418-Q422 HydrophobicContact CB-CB 4.07Å; T419-Q422 PolarHBondContact O-N 3.45Å; T419-Q422 WeakPolarHBondContact OG1-CB 3.17Å; T419-Q422 VanDerWaalsContact OG1-CG 3.27Å; T419-Q422 WeakPolarHBondContact OG1-CG 3.48Å; T419-Q422 PolarHBondContact OG1-N 3.43Å; T419-Q422 PolarHBondContact OG1-OE1 3.2Å; Q422-Q424 PolarHBondContact O-N 3.48Å; Q422-S425 PolarHBondContact O-N 2.88Å; Q422-L426 VanDerWaalsContact O-CB 3.28Å; Q422-L426 WeakPolarHBondContact O-CB 3.16Å; Q422-L426 PolarHBondContact O-N 3.09Å
423	R	97.9	Very high	97.7	Very high	57 Å²	57	46.6 Å²	46.6	22%	0.215	22%	0.223	C	C	.	.	H	α-helix	trans	-63.3	-40.9	176.8	-66.7	-168.5	76.3	153.5	6.5	112.4	D413 F415 L418 T419 K420 R427	D413-R423 VanDerWaalsContact CG-NH2 3.32Å; D413-R423 IonicContact OD1-CZ 2.66Å; D413-R423 IonicContact OD1-NH1 3.7Å; D413-R423 PolarHBondContact OD1-NH1 3.29Å; D413-R423 IonicContact OD1-NH2 3.14Å; D413-R423 PolarHBondContact OD1-NH2 3.03Å; D413-R423 IonicContact OD2-CZ 3.53Å; D413-R423 IonicContact OD2-NH1 3.66Å; D413-R423 PolarHBondContact OD2-NH1 3.03Å; D413-R423 IonicContact OD2-NH2 2.69Å; D413-R423 PolarHBondContact OD2-NH2 3.46Å; D413-R423 VanDerWaalsContact OD2-NH2 3.14Å; F415-R423 HydrophobicContact CB-CG 4.48Å; F415-R423 WeakPolarHBondContact O-CD 3.46Å; F415-R423 PolarHBondContact O-NH1 2.95Å; L418-R423 HydrophobicContact CB-CG 3.59Å; L418-R423 HydrophobicContact CD1-CG 4.3Å; L418-R423 HydrophobicContact CG-CG 4.48Å; T419-R423 PolarHBondContact O-N 2.87Å; K420-R423 PolarHBondContact O-N 2.91Å; R423-R427 VanDerWaalsContact O-CB 3.27Å; R423-R427 WeakPolarHBondContact O-CB 3.4Å; R423-R427 PolarHBondContact O-N 3.18Å
424	Q	96.1	Very high	97.8	Very high	22 Å²	22	45.5 Å²	45.5	10%	0.103	22%	0.217	C	C	.	.	H	α-helix	trans	-64	-45.6	175.7	-74.3	166	-44.1	0	0	111.4	E207 K420 K421 Q422 R427 K428	E207-Q424 VanDerWaalsContact CD-NE2 3.31Å; E207-Q424 PolarHBondContact OE1-OE1 3.08Å; E207-Q424 PolarHBondContact OE2-NE2 2.87Å; K420-Q424 WeakPolarHBondContact O-CG 3.31Å; K420-Q424 PolarHBondContact O-N 2.77Å; K420-Q424 PolarHBondContact O-OE1 2.94Å; K421-Q424 PolarHBondContact O-N 2.67Å; Q422-Q424 PolarHBondContact O-N 3.48Å; Q424-R427 PolarHBondContact O-N 3.14Å; Q424-K428 PolarHBondContact O-N 3.31Å
425	S	96.9	Very high	97.8	Very high	33 Å²	33	47.9 Å²	47.9	23%	0.231	23%	0.229	C	C	.	.	H	α-helix	trans	-64.7	-47.5	178.1	176.8	0	0	0	0	112	K421 Q422 R427 K428 M429	K421-S425 WeakPolarHBondContact O-CB 3.32Å; K421-S425 PolarHBondContact O-N 2.83Å; Q422-S425 PolarHBondContact O-N 2.88Å; S425-R427 PolarHBondContact O-N 3.25Å; S425-K428 PolarHBondContact O-N 3.27Å; S425-M429 WeakPolarHBondContact O-CG 3.29Å; S425-M429 PolarHBondContact O-N 2.91Å
426	L	98.4	Very high	97.8	Very high	1 Å²	1	48 Å²	48	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-58.8	-47.6	175.3	-179.5	148.7	0	0	0	111.2	L354 L357 A358 F415 L418 Q422 K428 M429 V430	L354-L426 HydrophobicContact CD1-CB 4.14Å; L354-L426 HydrophobicContact CD1-CD1 3.99Å; L354-L426 HydrophobicContact CG-CB 4.4Å; L357-L426 HydrophobicContact CB-CD1 4.48Å; L357-L426 HydrophobicContact CD2-CD1 3.5Å; L357-L426 HydrophobicContact CG-CD1 3.77Å; A358-L426 HydrophobicContact CB-CG 4.25Å; F415-L426 HydrophobicContact CD1-CD1 4.16Å; F415-L426 HydrophobicContact CD2-CD2 4.11Å; F415-L426 HydrophobicContact CE1-CD1 3.8Å; F415-L426 HydrophobicContact CE1-CD2 4.25Å; F415-L426 HydrophobicContact CE2-CD2 3.64Å; F415-L426 HydrophobicContact CZ-CD1 4.06Å; F415-L426 HydrophobicContact CZ-CD2 3.72Å; L418-L426 HydrophobicContact CD1-CD1 4.04Å; Q422-L426 VanDerWaalsContact O-CB 3.28Å; Q422-L426 WeakPolarHBondContact O-CB 3.16Å; Q422-L426 PolarHBondContact O-N 3.09Å; L426-K428 VanDerWaalsContact C-N 3.3Å; L426-K428 PolarHBondContact O-N 3.33Å; L426-M429 PolarHBondContact O-N 3.36Å; L426-V430 HydrophobicContact CD2-CG2 3.91Å; L426-V430 HydrophobicContact CG-CG2 4.25Å; L426-V430 VanDerWaalsContact O-CG2 3.25Å; L426-V430 WeakPolarHBondContact O-CG2 3.39Å; L426-V430 PolarHBondContact O-N 2.88Å
427	R	98.4	Very high	97.9	Very high	63 Å²	63	44 Å²	44	24%	0.238	21%	0.213	C	C	.	.	H	α-helix	trans	-58.9	-43.4	177.9	174.6	170.9	-179.9	87.2	-1.9	111.8	I210 F404 R423 Q424 S425 I431	I210-R427 HydrophobicContact CD1-CB 4.33Å; I210-R427 HydrophobicContact CD1-CG 4.33Å; F404-R427 VanDerWaalsContact CD1-NH1 3.31Å; F404-R427 VanDerWaalsContact CD2-NH1 3.33Å; F404-R427 HydrophobicContact CE1-CB 4.14Å; F404-R427 HydrophobicContact CE1-CG 4.13Å; F404-R427 HydrophobicContact CE2-CG 4.43Å; F404-R427 HydrophobicContact CZ-CB 4.11Å; F404-R427 HydrophobicContact CZ-CG 3.93Å; R423-R427 VanDerWaalsContact O-CB 3.27Å; R423-R427 WeakPolarHBondContact O-CB 3.4Å; R423-R427 PolarHBondContact O-N 3.18Å; Q424-R427 PolarHBondContact O-N 3.14Å; S425-R427 PolarHBondContact O-N 3.25Å; R427-I431 HydrophobicContact CG-CD1 3.64Å; R427-I431 HydrophobicContact CG-CG1 4.32Å; R427-I431 WeakPolarHBondContact O-CB 3.43Å; R427-I431 VanDerWaalsContact O-CG1 3.26Å; R427-I431 WeakPolarHBondContact O-CG1 3.2Å; R427-I431 PolarHBondContact O-N 3.28Å
428	K	97.4	Very high	97.9	Very high	71 Å²	71	40.4 Å²	40.4	31%	0.309	19%	0.193	S	C	.	.	H	α-helix	trans	-59.1	-50.9	177.5	176.3	171.5	167.4	40.4	0	110.7	Q424 S425 L426 V430 I431 D432 Y469	Q424-K428 PolarHBondContact O-N 3.31Å; S425-K428 PolarHBondContact O-N 3.27Å; L426-K428 VanDerWaalsContact C-N 3.3Å; L426-K428 PolarHBondContact O-N 3.33Å; K428-V430 PolarHBondContact O-N 3.44Å; K428-I431 PolarHBondContact O-N 3.24Å; K428-D432 IonicContact NZ-OD1 3.4Å; K428-D432 PolarHBondContact NZ-OD1 3.38Å; K428-D432 IonicContact NZ-OD2 2.74Å; K428-D432 PolarHBondContact NZ-OD2 3.03Å; K428-D432 PolarHBondContact O-N 3.1Å; K428-Y469 WeakPolarHBondContact CE-OH 3.42Å
429	M	98.5	Very high	97.8	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-61.3	-45.4	-179.4	-67.6	-177	-64.5	0	0	112	L354 E355 A358 S425 L426 I431 D432 I433 Y469 I473	L354-M429 HydrophobicContact CD2-CE 4.13Å; L354-M429 HydrophobicContact CG-CE 4Å; E355-M429 HydrophobicContact CB-SD 4.4Å; E355-M429 HydrophobicContact CG-CE 4.02Å; E355-M429 HydrophobicContact CG-SD 3.37Å; E355-M429 WeakPolarHBondContact CG-SD 3.34Å; A358-M429 HydrophobicContact CB-CB 3.88Å; A358-M429 HydrophobicContact CB-CE 3.85Å; S425-M429 WeakPolarHBondContact O-CG 3.29Å; S425-M429 PolarHBondContact O-N 2.91Å; L426-M429 PolarHBondContact O-N 3.36Å; M429-I431 VanDerWaalsContact C-N 3.34Å; M429-I431 PolarHBondContact O-N 3.2Å; M429-D432 PolarHBondContact O-N 2.96Å; M429-I433 WeakPolarHBondContact O-CB 3.31Å; M429-I433 WeakPolarHBondContact O-CD1 3.46Å; M429-I433 WeakPolarHBondContact O-CG1 3.42Å; M429-I433 PolarHBondContact O-N 3.02Å; M429-Y469 HydrophobicContact CG-CE2 3.71Å; M429-Y469 WeakPolarHBondContact CG-OH 3.39Å; M429-Y469 HydrophobicContact SD-CE2 4.1Å; M429-I473 HydrophobicContact CB-CD1 4.04Å; M429-I473 HydrophobicContact CG-CD1 4.09Å
430	V	98.8	Very high	97.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.2	-41.1	178.8	173.7	0	0	0	0	111.5	A358 F361 A362 I365 L400 F404 L426 K428 I433 V434	A358-V430 HydrophobicContact CB-CG2 3.97Å; F361-V430 HydrophobicContact CD1-CG1 3.89Å; F361-V430 HydrophobicContact CD1-CG2 3.78Å; F361-V430 HydrophobicContact CE1-CG1 4.1Å; F361-V430 HydrophobicContact CE1-CG2 4.5Å; A362-V430 HydrophobicContact CB-CG1 4.14Å; I365-V430 HydrophobicContact CD1-CG1 3.9Å; L400-V430 HydrophobicContact CD2-CG1 3.95Å; F404-V430 HydrophobicContact CE2-CB 4.18Å; F404-V430 HydrophobicContact CE2-CG1 3.66Å; F404-V430 HydrophobicContact CZ-CB 3.9Å; F404-V430 HydrophobicContact CZ-CG1 3.77Å; F404-V430 HydrophobicContact CZ-CG2 4.45Å; L426-V430 HydrophobicContact CD2-CG2 3.91Å; L426-V430 HydrophobicContact CG-CG2 4.25Å; L426-V430 VanDerWaalsContact O-CG2 3.25Å; L426-V430 WeakPolarHBondContact O-CG2 3.39Å; L426-V430 PolarHBondContact O-N 2.88Å; K428-V430 PolarHBondContact O-N 3.44Å; V430-I433 PolarHBondContact O-N 3.35Å; V430-V434 HydrophobicContact CG1-CG2 4.28Å; V430-V434 WeakPolarHBondContact O-CG2 3.18Å; V430-V434 PolarHBondContact O-N 2.87Å
431	I	98.6	Very high	97.4	Very high	47 Å²	47	39.9 Å²	39.9	24%	0.241	19%	0.193	C	C	.	.	H	α-helix	trans	-63.7	-47.3	175	-69.5	168.3	0	0	0	110.7	L400 F404 R427 K428 M429 I433 L435	L400-I431 HydrophobicContact CD1-CB 4.31Å; L400-I431 HydrophobicContact CD1-CG1 4.21Å; L400-I431 HydrophobicContact CD1-CG2 4.16Å; L400-I431 HydrophobicContact CD2-CB 4.48Å; L400-I431 HydrophobicContact CD2-CG1 3.98Å; F404-I431 HydrophobicContact CE2-CG1 4.37Å; R427-I431 HydrophobicContact CG-CD1 3.64Å; R427-I431 HydrophobicContact CG-CG1 4.32Å; R427-I431 WeakPolarHBondContact O-CB 3.43Å; R427-I431 VanDerWaalsContact O-CG1 3.26Å; R427-I431 WeakPolarHBondContact O-CG1 3.2Å; R427-I431 PolarHBondContact O-N 3.28Å; K428-I431 PolarHBondContact O-N 3.24Å; M429-I431 VanDerWaalsContact C-N 3.34Å; M429-I431 PolarHBondContact O-N 3.2Å; I431-I433 VanDerWaalsContact C-N 3.26Å; I431-I433 PolarHBondContact O-N 2.99Å; I431-L435 HydrophobicContact CG2-CD1 3.74Å; I431-L435 HydrophobicContact CG2-CG 4.33Å; I431-L435 WeakPolarHBondContact O-CB 3.47Å; I431-L435 VanDerWaalsContact O-CG 3.31Å; I431-L435 WeakPolarHBondContact O-CG 3.47Å; I431-L435 PolarHBondContact O-N 2.94Å; I431-L435 VanDerWaalsContact O-N 3.09Å
432	D	97.9	Very high	97.3	Very high	37 Å²	37	32.7 Å²	32.7	20%	0.198	16%	0.162	C	C	.	.	H	α-helix	trans	-58.7	-39.9	178.5	-67	-20.2	0	0	0	110.7	K428 M429 A436 Y469 I473 Q477	K428-D432 IonicContact NZ-OD1 3.4Å; K428-D432 PolarHBondContact NZ-OD1 3.38Å; K428-D432 IonicContact NZ-OD2 2.74Å; K428-D432 PolarHBondContact NZ-OD2 3.03Å; K428-D432 PolarHBondContact O-N 3.1Å; M429-D432 PolarHBondContact O-N 2.96Å; D432-A436 PolarHBondContact O-N 2.94Å; D432-Y469 PolarHBondContact OD2-OH 2.92Å; D432-I473 HydrophobicContact CB-CD1 4.05Å; D432-I473 HydrophobicContact CB-CG1 3.81Å; D432-Q477 PolarHBondContact O-NE2 3.24Å
433	I	98.7	Very high	97.1	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-73	-51.8	-179	-67	164.5	0	0	0	112.3	A359 A362 M429 V430 I431 L435 A436 I473 L476 Q477 V480	A359-I433 HydrophobicContact CB-CD1 4.47Å; A362-I433 HydrophobicContact CB-CB 3.94Å; A362-I433 HydrophobicContact CB-CD1 4.44Å; A362-I433 HydrophobicContact CB-CG2 3.55Å; M429-I433 WeakPolarHBondContact O-CB 3.31Å; M429-I433 WeakPolarHBondContact O-CD1 3.46Å; M429-I433 WeakPolarHBondContact O-CG1 3.42Å; M429-I433 PolarHBondContact O-N 3.02Å; V430-I433 PolarHBondContact O-N 3.35Å; I431-I433 VanDerWaalsContact C-N 3.26Å; I431-I433 PolarHBondContact O-N 2.99Å; I433-L435 VanDerWaalsContact C-N 3.34Å; I433-L435 PolarHBondContact O-N 3.42Å; I433-A436 VanDerWaalsContact O-CB 3.3Å; I433-A436 WeakPolarHBondContact O-CB 3.42Å; I433-A436 PolarHBondContact O-N 3.34Å; I433-I473 HydrophobicContact CD1-CD1 4.13Å; I433-I473 HydrophobicContact CG1-CD1 3.86Å; I433-L476 HydrophobicContact CD1-CB 4.03Å; I433-L476 HydrophobicContact CG1-CB 4.33Å; I433-Q477 HydrophobicContact CG1-CG 4.28Å; I433-V480 HydrophobicContact CG2-CB 3.72Å; I433-V480 HydrophobicContact CG2-CG1 3.94Å; I433-V480 HydrophobicContact CG2-CG2 3.59Å
434	V	98.8	Very high	96.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-68.2	-34.2	-177.1	178	0	0	0	0	111.4	A362 I365 H366 H399 L400 V430 A436 T437	A362-V434 HydrophobicContact CB-CG2 3.9Å; I365-V434 HydrophobicContact CG1-CG2 4.22Å; H366-V434 HydrophobicContact CB-CG1 4.32Å; H366-V434 HydrophobicContact CB-CG2 4.35Å; H399-V434 HydrophobicContact CB-CG1 4.38Å; L400-V434 HydrophobicContact CD1-CB 4.08Å; L400-V434 HydrophobicContact CD1-CG1 4.26Å; L400-V434 HydrophobicContact CD2-CB 3.76Å; L400-V434 HydrophobicContact CD2-CG1 4.25Å; L400-V434 HydrophobicContact CD2-CG2 3.86Å; L400-V434 HydrophobicContact CG-CB 3.75Å; L400-V434 HydrophobicContact CG-CG1 3.77Å; L400-V434 HydrophobicContact CG-CG2 4.32Å; V430-V434 HydrophobicContact CG1-CG2 4.28Å; V430-V434 WeakPolarHBondContact O-CG2 3.18Å; V430-V434 PolarHBondContact O-N 2.87Å; V434-A436 PolarHBondContact O-N 3.47Å; V434-T437 PolarHBondContact O-N 3.41Å; V434-T437 VanDerWaalsContact O-N 3.15Å; V434-T437 PolarHBondContact O-OG1 3.39Å
435	L	98.5	Very high	96.6	Very high	52 Å²	52	36.5 Å²	36.5	27%	0.272	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-67.2	-19.8	173.8	-69.4	178.3	0	0	0	113.1	E396 L400 I431 I433 T437	E396-L435 HydrophobicContact CB-CD2 4.08Å; L400-L435 HydrophobicContact CD1-CD2 3.96Å; L400-L435 HydrophobicContact CD1-CG 3.82Å; I431-L435 HydrophobicContact CG2-CD1 3.74Å; I431-L435 HydrophobicContact CG2-CG 4.33Å; I431-L435 WeakPolarHBondContact O-CB 3.47Å; I431-L435 VanDerWaalsContact O-CG 3.31Å; I431-L435 WeakPolarHBondContact O-CG 3.47Å; I431-L435 PolarHBondContact O-N 2.94Å; I431-L435 VanDerWaalsContact O-N 3.09Å; I433-L435 VanDerWaalsContact C-N 3.34Å; I433-L435 PolarHBondContact O-N 3.42Å; L435-T437 VanDerWaalsContact C-N 3.32Å
436	A	98	Very high	96.4	Very high	5 Å²	5	35.7 Å²	35.7	4%	0.041	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-77.5	-16.5	175.4	0	0	0	0	0	112.7	D432 I433 V434 D438 L445 Q477	D432-A436 PolarHBondContact O-N 2.94Å; I433-A436 VanDerWaalsContact O-CB 3.3Å; I433-A436 WeakPolarHBondContact O-CB 3.42Å; I433-A436 PolarHBondContact O-N 3.34Å; V434-A436 PolarHBondContact O-N 3.47Å; A436-D438 PolarHBondContact O-N 2.93Å; A436-L445 HydrophobicContact CB-CD1 4.03Å; A436-L445 HydrophobicContact CB-CD2 4.02Å; A436-L445 WeakPolarHBondContact O-CD1 3.43Å; A436-Q477 HydrophobicContact CB-CB 3.83Å; A436-Q477 HydrophobicContact CB-CG 3.8Å
437	T	98.4	Very high	95.9	Very high	8 Å²	8	38 Å²	38	5%	0.049	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-76.7	-4	175.7	69.8	0	0	0	0	112.7	H366 V434 L435 M439 V480	H366-T437 HydrophobicContact CB-CG2 4.36Å; V434-T437 PolarHBondContact O-N 3.41Å; V434-T437 VanDerWaalsContact O-N 3.15Å; V434-T437 PolarHBondContact O-OG1 3.39Å; L435-T437 VanDerWaalsContact C-N 3.32Å; T437-M439 WeakPolarHBondContact O-CE 3.47Å; T437-M439 PolarHBondContact O-N 2.92Å; T437-M439 VanDerWaalsContact O-N 3.12Å; T437-V480 HydrophobicContact CG2-CG1 4.08Å
438	D	98	Very high	95.4	Very high	10 Å²	10	38 Å²	38	5%	0.053	20%	0.204	C	C	.	.			trans	-64.5	112.4	169.2	176.9	-10.8	0	0	0	109.2	S393 E396 A436 S440 K441	S393-D438 WeakPolarHBondContact CB-OD2 3.29Å; S393-D438 PolarHBondContact OG-OD2 2.76Å; E396-D438 HydrophobicContact CG-CB 3.84Å; A436-D438 PolarHBondContact O-N 2.93Å; D438-S440 PolarHBondContact O-N 3.02Å; D438-S440 VanDerWaalsContact OD1-CB 3.22Å; D438-S440 WeakPolarHBondContact OD1-CB 3.16Å; D438-S440 PolarHBondContact OD1-N 3.49Å; D438-S440 PolarHBondContact OD1-OG 3.48Å; D438-S440 PolarHBondContact OD2-OG 3.44Å; D438-K441 HydrophobicContact CB-CG 3.95Å; D438-K441 VanDerWaalsContact O-CB 3.31Å; D438-K441 WeakPolarHBondContact O-CB 3.5Å; D438-K441 WeakPolarHBondContact O-CG 3.32Å; D438-K441 PolarHBondContact O-N 3.48Å
439	M	95.2	Very high	95	Very high	72 Å²	72	34.6 Å²	34.6	36%	0.355	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-57.5	-21	-178	-65.8	-63.6	125.6	0	0	113.6	T437 K441 H442 H481 D484 L485	T437-M439 WeakPolarHBondContact O-CE 3.47Å; T437-M439 PolarHBondContact O-N 2.92Å; T437-M439 VanDerWaalsContact O-N 3.12Å; M439-K441 PolarHBondContact O-N 3.12Å; M439-H442 VanDerWaalsContact O-CB 3.31Å; M439-H442 WeakPolarHBondContact O-CB 3.43Å; M439-H442 PolarHBondContact O-N 3.12Å; M439-H481 WeakPolarHBondContact CE-CE1 3.29Å; M439-D484 WeakPolarHBondContact CE-OD2 3.48Å; M439-L485 HydrophobicContact CE-CD2 3.96Å; M439-L485 HydrophobicContact CE-CG 4.27Å; M439-L485 HydrophobicContact SD-CD1 4.14Å; M439-L485 HydrophobicContact SD-CD2 3.87Å; M439-L485 HydrophobicContact SD-CG 4.36Å
440	S	93.8	Very high	94.5	Very high	62 Å²	62	39.4 Å²	39.4	43%	0.434	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-68.1	-13.3	172.1	76.8	0	0	0	0	114	D438	D438-S440 PolarHBondContact O-N 3.02Å; D438-S440 VanDerWaalsContact OD1-CB 3.22Å; D438-S440 WeakPolarHBondContact OD1-CB 3.16Å; D438-S440 PolarHBondContact OD1-N 3.49Å; D438-S440 PolarHBondContact OD1-OG 3.48Å; D438-S440 PolarHBondContact OD2-OG 3.44Å
441	K	93.3	Very high	93.9	Very high	72 Å²	72	42.9 Å²	42.9	31%	0.313	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-95.8	-6.2	177.5	-50	-55.4	176.6	-156.7	0	113.2	D438 M439 M443 N444 L445	D438-K441 HydrophobicContact CB-CG 3.95Å; D438-K441 VanDerWaalsContact O-CB 3.31Å; D438-K441 WeakPolarHBondContact O-CB 3.5Å; D438-K441 WeakPolarHBondContact O-CG 3.32Å; D438-K441 PolarHBondContact O-N 3.48Å; M439-K441 PolarHBondContact O-N 3.12Å; K441-M443 VanDerWaalsContact C-N 3.32Å; K441-M443 PolarHBondContact O-N 3.2Å; K441-N444 WeakPolarHBondContact O-CB 3.42Å; K441-N444 PolarHBondContact O-N 3.34Å; K441-L445 PolarHBondContact O-N 3.38Å; K441-L445 VanDerWaalsContact O-N 3.08Å
442	H	95.1	Very high	93.3	Very high	9 Å²	9	41.3 Å²	41.3	4%	0.042	22%	0.223	C	C	.	.	H	α-helix	trans	-49.2	-48	-174.3	172.3	68.8	0	0	0	113.5	M439 N444 L445 L446 H481 I542	M439-H442 VanDerWaalsContact O-CB 3.31Å; M439-H442 WeakPolarHBondContact O-CB 3.43Å; M439-H442 PolarHBondContact O-N 3.12Å; H442-N444 VanDerWaalsContact C-N 3.31Å; H442-N444 PolarHBondContact O-N 2.97Å; H442-L445 PolarHBondContact O-N 2.99Å; H442-L446 WeakPolarHBondContact O-CB 3.4Å; H442-L446 PolarHBondContact O-N 3.08Å; H442-H481 AromaticContact ND1-CD2 3.94Å; H442-H481 AromaticContact ND1-NE2 3.2Å; H442-H481 PolarHBondContact ND1-NE2 2.83Å; H442-I542 PolarHBondContact CE1-O 3.03Å
443	M	91.8	Very high	92.8	Very high	113 Å²	113	40.8 Å²	40.8	56%	0.557	22%	0.222	S	C	*	.	H	α-helix	trans	-65.8	-32.1	-179	-65.5	-58.1	166.2	0	0	113.3	K441 A447 I542	K441-M443 VanDerWaalsContact C-N 3.32Å; K441-M443 PolarHBondContact O-N 3.2Å; M443-A447 WeakPolarHBondContact O-CB 3.4Å; M443-A447 PolarHBondContact O-N 3.28Å; M443-I542 HydrophobicContact CE-CD1 4.17Å
444	N	91.2	Very high	92.2	Very high	102 Å²	102	48.2 Å²	48.2	55%	0.545	26%	0.256	S	S	.	.	H	α-helix	trans	-70.5	-42.8	175.3	-61	-31.3	0	0	0	110.6	K441 H442 L446 A447 D448	K441-N444 WeakPolarHBondContact O-CB 3.42Å; K441-N444 PolarHBondContact O-N 3.34Å; H442-N444 VanDerWaalsContact C-N 3.31Å; H442-N444 PolarHBondContact O-N 2.97Å; N444-L446 VanDerWaalsContact C-N 3.35Å; N444-A447 PolarHBondContact O-N 2.9Å; N444-D448 WeakPolarHBondContact O-CB 3.37Å; N444-D448 PolarHBondContact O-N 2.84Å
445	L	93.5	Very high	91.4	Very high	9 Å²	9	52.7 Å²	52.7	5%	0.047	28%	0.284	C	S	.	.	H	α-helix	trans	-62.4	-43.1	177	-68.7	170.1	0	0	0	111.7	A436 K441 H442 D448 L449 Q477 N478 H481	A436-L445 HydrophobicContact CB-CD1 4.03Å; A436-L445 HydrophobicContact CB-CD2 4.02Å; A436-L445 WeakPolarHBondContact O-CD1 3.43Å; K441-L445 PolarHBondContact O-N 3.38Å; K441-L445 VanDerWaalsContact O-N 3.08Å; H442-L445 PolarHBondContact O-N 2.99Å; L445-D448 PolarHBondContact O-N 2.94Å; L445-L449 WeakPolarHBondContact O-CB 3.34Å; L445-L449 PolarHBondContact O-N 3.47Å; L445-Q477 HydrophobicContact CD2-CB 4.06Å; L445-N478 PolarHBondContact O-ND2 3.29Å; L445-N478 PolarHBondContact O-OD1 3.09Å; L445-H481 HydrophobicContact CD1-CB 4.23Å
446	L	92.3	Very high	90.6	Very high	16 Å²	16	53.9 Å²	53.9	8%	0.084	29%	0.287	C	S	.	.	H	α-helix	trans	-64.2	-41.6	176.8	-175.2	60.1	0	0	0	111.9	H442 N444 L449 K450 P545 T549	H442-L446 WeakPolarHBondContact O-CB 3.4Å; H442-L446 PolarHBondContact O-N 3.08Å; N444-L446 VanDerWaalsContact C-N 3.35Å; L446-L449 PolarHBondContact O-N 3.45Å; L446-K450 WeakPolarHBondContact O-CB 3.42Å; L446-K450 WeakPolarHBondContact O-CG 3.47Å; L446-K450 PolarHBondContact O-N 2.63Å; L446-P545 HydrophobicContact CD2-CB 4.11Å; L446-T549 HydrophobicContact CD1-CG2 4.42Å; L446-T549 WeakPolarHBondContact CD1-OG1 3.32Å
447	A	88.3	Confident	89.8	Confident	50 Å²	50	59.1 Å²	59.1	41%	0.413	31%	0.309	S	S	.	.	H	α-helix	trans	-64.3	-43	175.8	0	0	0	0	0	112.1	M443 N444 L449 K450 T451	M443-A447 WeakPolarHBondContact O-CB 3.4Å; M443-A447 PolarHBondContact O-N 3.28Å; N444-A447 PolarHBondContact O-N 2.9Å; A447-L449 VanDerWaalsContact C-N 3.33Å; A447-K450 PolarHBondContact O-N 2.81Å; A447-T451 WeakPolarHBondContact O-CB 3.28Å; A447-T451 PolarHBondContact O-N 3.37Å; A447-T451 PolarHBondContact O-OG1 3.34Å
448	D	87	Confident	89	Confident	62 Å²	62	62.2 Å²	62.2	33%	0.332	33%	0.328	S	S	.	.	H	α-helix	trans	-61.8	-42.7	174.6	-79.4	-1.1	0	0	0	111	N444 L445 T451 M452 Q474	N444-D448 WeakPolarHBondContact O-CB 3.37Å; N444-D448 PolarHBondContact O-N 2.84Å; L445-D448 PolarHBondContact O-N 2.94Å; D448-T451 PolarHBondContact O-N 2.77Å; D448-M452 WeakPolarHBondContact O-CB 3.49Å; D448-M452 PolarHBondContact O-N 2.88Å; D448-Q474 PolarHBondContact OD2-NE2 3.33Å
449	L	89.6	Confident	88.3	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-66.3	-45.1	179.1	-169.2	64.4	0	0	0	111.8	L445 L446 A447 T451 M452 V453 N478 L546 T549 W550 L553	L445-L449 WeakPolarHBondContact O-CB 3.34Å; L445-L449 PolarHBondContact O-N 3.47Å; L446-L449 PolarHBondContact O-N 3.45Å; A447-L449 VanDerWaalsContact C-N 3.33Å; L449-T451 PolarHBondContact O-N 3.48Å; L449-M452 WeakPolarHBondContact O-CA 3.38Å; L449-M452 WeakPolarHBondContact O-CB 3.45Å; L449-M452 PolarHBondContact O-N 3.17Å; L449-M452 VanDerWaalsContact O-N 3.1Å; L449-V453 WeakPolarHBondContact O-CG2 3.44Å; L449-V453 PolarHBondContact O-N 3.46Å; L449-N478 HydrophobicContact CD1-CB 4.04Å; L449-N478 HydrophobicContact CD2-CB 4.31Å; L449-L546 HydrophobicContact CD2-CD1 4.29Å; L449-T549 HydrophobicContact CB-CG2 4.1Å; L449-T549 HydrophobicContact CD2-CG2 3.84Å; L449-T549 HydrophobicContact CG-CG2 3.69Å; L449-W550 HydrophobicContact CD2-CB 4.41Å; L449-L553 HydrophobicContact CD1-CD2 3.77Å
450	K	88.4	Confident	87.7	Confident	101 Å²	101	66.9 Å²	66.9	44%	0.439	37%	0.366	S	S	.	.	H	α-helix	trans	-58.7	-47.2	175.1	-78.2	-172.3	175.4	-169.6	0	111.7	L446 A447 M452 V453 E454 T549	L446-K450 WeakPolarHBondContact O-CB 3.42Å; L446-K450 WeakPolarHBondContact O-CG 3.47Å; L446-K450 PolarHBondContact O-N 2.63Å; A447-K450 PolarHBondContact O-N 2.81Å; K450-M452 PolarHBondContact O-N 3.44Å; K450-V453 WeakPolarHBondContact O-CB 3.46Å; K450-V453 PolarHBondContact O-N 3.05Å; K450-V453 VanDerWaalsContact O-N 3.09Å; K450-E454 WeakPolarHBondContact O-CG 3.4Å; K450-E454 PolarHBondContact O-N 3.31Å; K450-T549 HydrophobicContact CB-CG2 4.29Å; K450-T549 HydrophobicContact CG-CG2 3.53Å
451	T	85.2	Confident	87.3	Confident	74 Å²	74	68.4 Å²	68.4	45%	0.454	38%	0.377	S	S	.	.	H	α-helix	trans	-57.2	-38.8	175	-54.1	0	0	0	0	111.5	A447 D448 L449 E454 T455	A447-T451 WeakPolarHBondContact O-CB 3.28Å; A447-T451 PolarHBondContact O-N 3.37Å; A447-T451 PolarHBondContact O-OG1 3.34Å; D448-T451 PolarHBondContact O-N 2.77Å; L449-T451 PolarHBondContact O-N 3.48Å; T451-E454 PolarHBondContact O-N 2.72Å; T451-T455 WeakPolarHBondContact O-CB 3.44Å; T451-T455 WeakPolarHBondContact O-CG2 3.27Å; T451-T455 PolarHBondContact O-N 3.45Å; T451-T455 VanDerWaalsContact O-N 3.11Å; T451-T455 PolarHBondContact O-OG1 3.43Å
452	M	86.8	Confident	86.8	Confident	13 Å²	13	66.9 Å²	66.9	6%	0.064	38%	0.381	C	S	.	.	H	α-helix	trans	-68.6	-39.6	177.1	-167.9	178.5	-61	0	0	112.5	D448 L449 K450 E454 T455 K456 L466 D471 Q474 V475 L553	D448-M452 WeakPolarHBondContact O-CB 3.49Å; D448-M452 PolarHBondContact O-N 2.88Å; L449-M452 WeakPolarHBondContact O-CA 3.38Å; L449-M452 WeakPolarHBondContact O-CB 3.45Å; L449-M452 PolarHBondContact O-N 3.17Å; L449-M452 VanDerWaalsContact O-N 3.1Å; K450-M452 PolarHBondContact O-N 3.44Å; M452-E454 VanDerWaalsContact C-N 3.34Å; M452-T455 CarbonylContact O-C 3.4Å; M452-T455 PolarHBondContact O-N 3.13Å; M452-K456 WeakPolarHBondContact O-CA 3.33Å; M452-K456 WeakPolarHBondContact O-CB 3.46Å; M452-K456 PolarHBondContact O-N 3.33Å; M452-L466 HydrophobicContact SD-CD2 4.03Å; M452-D471 HydrophobicContact CE-CB 4.39Å; M452-D471 WeakPolarHBondContact CE-O 3.28Å; M452-Q474 HydrophobicContact CE-CB 3.57Å; M452-V475 HydrophobicContact CE-CG2 3.73Å; M452-V475 HydrophobicContact SD-CG2 3.13Å; M452-V475 WeakPolarHBondContact SD-CG2 3.34Å; M452-L553 HydrophobicContact CG-CD1 4.18Å; M452-L553 HydrophobicContact SD-CD1 4.36Å; M452-L553 HydrophobicContact SD-CD2 4.33Å
453	V	88.2	Confident	86.4	Confident	27 Å²	27	67.6 Å²	67.6	16%	0.164	39%	0.386	C	S	.	.	H	α-helix	trans	-60.7	-44.2	174.1	171.5	0	0	0	0	110.9	L449 K450 T455 K456 T549 D552 L553	L449-V453 WeakPolarHBondContact O-CG2 3.44Å; L449-V453 PolarHBondContact O-N 3.46Å; K450-V453 WeakPolarHBondContact O-CB 3.46Å; K450-V453 PolarHBondContact O-N 3.05Å; K450-V453 VanDerWaalsContact O-N 3.09Å; V453-T455 VanDerWaalsContact C-N 3.29Å; V453-T455 PolarHBondContact O-N 2.94Å; V453-K456 VanDerWaalsContact O-CG 3.27Å; V453-K456 WeakPolarHBondContact O-CG 3.22Å; V453-K456 PolarHBondContact O-N 3.29Å; V453-T549 HydrophobicContact CG2-CG2 3.96Å; V453-T549 WeakPolarHBondContact CG2-O 3.3Å; V453-D552 HydrophobicContact CG1-CB 3.84Å; V453-D552 HydrophobicContact CG2-CB 4.27Å; V453-L553 HydrophobicContact CG2-CB 3.81Å; V453-L553 HydrophobicContact CG2-CD1 4.13Å
454	E	86.2	Confident	86.2	Confident	155 Å²	155	62.5 Å²	62.5	72%	0.724	36%	0.361	S	S	*	.	H	α-helix	trans	-65.1	-32	179	-70.1	172.1	-174	0	0	113	K450 T451 M452	K450-E454 WeakPolarHBondContact O-CG 3.4Å; K450-E454 PolarHBondContact O-N 3.31Å; T451-E454 PolarHBondContact O-N 2.72Å; M452-E454 VanDerWaalsContact C-N 3.34Å
455	T	81.3	Confident	85.9	Confident	94 Å²	94	61.5 Å²	61.5	58%	0.577	36%	0.355	S	S	*	.	H	α-helix	trans	-104.6	5.1	-176.4	59.9	0	0	0	0	113.9	T451 M452 V453 K457	T451-T455 WeakPolarHBondContact O-CB 3.44Å; T451-T455 WeakPolarHBondContact O-CG2 3.27Å; T451-T455 PolarHBondContact O-N 3.45Å; T451-T455 VanDerWaalsContact O-N 3.11Å; T451-T455 PolarHBondContact O-OG1 3.43Å; M452-T455 CarbonylContact O-C 3.4Å; M452-T455 PolarHBondContact O-N 3.13Å; V453-T455 VanDerWaalsContact C-N 3.29Å; V453-T455 PolarHBondContact O-N 2.94Å; T455-K457 PolarHBondContact O-N 2.99Å
456	K	80.3	Confident	85.5	Confident	77 Å²	77	62.3 Å²	62.3	34%	0.335	36%	0.36	S	S	.	.			trans	-60.1	135.3	-173.1	72.9	-174.6	175.8	173.8	0	111.5	M452 V453 V458 L464 D552 L553	M452-K456 WeakPolarHBondContact O-CA 3.33Å; M452-K456 WeakPolarHBondContact O-CB 3.46Å; M452-K456 PolarHBondContact O-N 3.33Å; V453-K456 VanDerWaalsContact O-CG 3.27Å; V453-K456 WeakPolarHBondContact O-CG 3.22Å; V453-K456 PolarHBondContact O-N 3.29Å; K456-V458 HydrophobicContact CD-CG2 4.29Å; K456-V458 HydrophobicContact CG-CG2 4.2Å; K456-L464 HydrophobicContact CB-CD1 3.74Å; K456-D552 PolarHBondContact NZ-O 2.95Å; K456-L553 HydrophobicContact CB-CD1 4.46Å; K456-L553 HydrophobicContact CD-CD1 4.47Å
457	K	82.4	Confident	84.8	Confident	116 Å²	116	66.6 Å²	66.6	50%	0.504	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	128.4	168.7	-62.4	177	-163.3	161.2	0	107.5	T455 L465 D467	T455-K457 PolarHBondContact O-N 2.99Å; K457-L465 HydrophobicContact CB-CB 4.03Å; K457-L465 HydrophobicContact CB-CD1 4.37Å; K457-L465 WeakPolarHBondContact O-CB 3.34Å; K457-L465 PolarHBondContact O-N 3.37Å; K457-D467 IonicContact NZ-OD2 3.31Å; K457-D467 PolarHBondContact NZ-OD2 2.88Å
458	V	82	Confident	84.7	Confident	73 Å²	73	67.6 Å²	67.6	44%	0.442	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	136.4	-179.8	-174.5	0	0	0	0	108.5	K456 G462 V463 L464	K456-V458 HydrophobicContact CD-CG2 4.29Å; K456-V458 HydrophobicContact CG-CG2 4.2Å; V458-G462 VanDerWaalsContact CG1-CA 3.45Å; V458-G462 WeakPolarHBondContact CG1-O 3.47Å; V458-V463 WeakPolarHBondContact CA-O 3.38Å; V458-L464 HydrophobicContact CG2-CD1 4.44Å
459	T	83.4	Confident	84.8	Confident	42 Å²	42	67.2 Å²	67.2	26%	0.258	38%	0.376	S	S	.	.			trans	-67.2	167.7	173.8	67.4	0	0	0	0	110.8	S461 G462 V463 L465	T459-S461 PolarHBondContact O-N 2.97Å; T459-S461 PolarHBondContact OG1-N 3.14Å; T459-S461 PolarHBondContact OG1-OG 3.12Å; T459-G462 PolarHBondContact O-N 3.18Å; T459-V463 HydrophobicContact CG2-CB 4.43Å; T459-V463 WeakPolarHBondContact CG2-O 3.35Å; T459-V463 PolarHBondContact N-O 3.34Å; T459-V463 PolarHBondContact OG1-N 3.18Å; T459-V463 VanDerWaalsContact OG1-N 3.16Å; T459-V463 PolarHBondContact OG1-O 3.45Å; T459-L465 HydrophobicContact CG2-CD1 3.9Å; T459-L465 HydrophobicContact CG2-CD2 3.58Å; T459-L465 HydrophobicContact CG2-CG 3.59Å
460	S	82.7	Confident	84.7	Confident	138 Å²	138	70.1 Å²	70.1	97%	0.965	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-15.2	172	57.1	0	0	0	0	114.1
461	S	83.8	Confident	84.8	Confident	94 Å²	94	67.3 Å²	67.3	66%	0.657	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	2.1	176.9	62.1	0	0	0	0	113.8	T459	T459-S461 PolarHBondContact O-N 2.97Å; T459-S461 PolarHBondContact OG1-N 3.14Å; T459-S461 PolarHBondContact OG1-OG 3.12Å
462	G	84.3	Confident	85.2	Confident	39 Å²	39	66.2 Å²	66.2	40%	0.402	37%	0.373	S	S	.	.	S	Bend	trans	86.9	4.4	-177.5	0	0	0	0	0	114.6	V458 T459	V458-G462 VanDerWaalsContact CG1-CA 3.45Å; V458-G462 WeakPolarHBondContact CG1-O 3.47Å; T459-G462 PolarHBondContact O-N 3.18Å
463	V	86.4	Confident	85.7	Confident	24 Å²	24	66.1 Å²	66.1	15%	0.145	37%	0.373	C	S	.	.			trans	-86.6	134.7	-178.6	178.6	0	0	0	0	110.4	A346 E348 V350 V458 T459	A346-V463 WeakPolarHBondContact O-CA 3.43Å; E348-V463 WeakPolarHBondContact O-CG1 3.33Å; V350-V463 HydrophobicContact CG2-CG1 3.84Å; V458-V463 WeakPolarHBondContact CA-O 3.38Å; T459-V463 HydrophobicContact CG2-CB 4.43Å; T459-V463 WeakPolarHBondContact CG2-O 3.35Å; T459-V463 PolarHBondContact N-O 3.34Å; T459-V463 PolarHBondContact OG1-N 3.18Å; T459-V463 VanDerWaalsContact OG1-N 3.16Å; T459-V463 PolarHBondContact OG1-O 3.45Å
464	L	86.2	Confident	85.9	Confident	6 Å²	6	66.8 Å²	66.8	3%	0.031	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	132.9	178.9	-168.8	67.4	0	0	0	111.3	A346 L347 V350 K456 V458 L466 L553	A346-L464 WeakPolarHBondContact O-CB 3.44Å; A346-L464 PolarHBondContact O-N 3.34Å; L347-L464 HydrophobicContact CD2-CB 4.24Å; L347-L464 HydrophobicContact CD2-CD2 3.86Å; V350-L464 VanDerWaalsContact CG2-O 3.26Å; V350-L464 WeakPolarHBondContact CG2-O 3.34Å; K456-L464 HydrophobicContact CB-CD1 3.74Å; V458-L464 HydrophobicContact CG2-CD1 4.44Å; L464-L466 HydrophobicContact CD2-CD1 4.19Å; L464-L466 HydrophobicContact CD2-CD2 3.8Å; L464-L466 HydrophobicContact CD2-CG 4.05Å; L464-L466 HydrophobicContact CG-CD2 3.96Å; L464-L466 HydrophobicContact CG-CG 4.15Å; L464-L553 HydrophobicContact CD1-CD1 4.04Å; L464-L553 HydrophobicContact CD2-CD1 3.84Å; L464-L553 HydrophobicContact CD2-CD2 4.2Å; L464-L553 HydrophobicContact CD2-CG 4Å
465	L	84.8	Confident	86.4	Confident	81 Å²	81	59.4 Å²	59.4	42%	0.424	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	111.8	174.4	-71	172.7	0	0	0	110.1	K457 T459	K457-L465 HydrophobicContact CB-CB 4.03Å; K457-L465 HydrophobicContact CB-CD1 4.37Å; K457-L465 WeakPolarHBondContact O-CB 3.34Å; K457-L465 PolarHBondContact O-N 3.37Å; T459-L465 HydrophobicContact CG2-CD1 3.9Å; T459-L465 HydrophobicContact CG2-CD2 3.58Å; T459-L465 HydrophobicContact CG2-CG 3.59Å
466	L	85.2	Confident	87.2	Confident	26 Å²	26	55 Å²	55	14%	0.136	31%	0.312	C	S	.	.			trans	-111.8	108.7	174.6	-57.9	179.4	0	0	0	108.9	V350 F351 M452 L464 D471 R472 V475	V350-L466 HydrophobicContact CG1-CB 4.23Å; V350-L466 HydrophobicContact CG1-CD1 3.56Å; V350-L466 HydrophobicContact CG1-CG 3.97Å; F351-L466 HydrophobicContact CE1-CD1 4.37Å; F351-L466 HydrophobicContact CZ-CD1 4.42Å; M452-L466 HydrophobicContact SD-CD2 4.03Å; L464-L466 HydrophobicContact CD2-CD1 4.19Å; L464-L466 HydrophobicContact CD2-CD2 3.8Å; L464-L466 HydrophobicContact CD2-CG 4.05Å; L464-L466 HydrophobicContact CG-CD2 3.96Å; L464-L466 HydrophobicContact CG-CG 4.15Å; L466-D471 HydrophobicContact CB-CB 4.24Å; L466-D471 HydrophobicContact CD2-CB 4.01Å; L466-R472 HydrophobicContact CB-CG 3.51Å; L466-R472 HydrophobicContact CD1-CG 3.95Å; L466-R472 HydrophobicContact CG-CG 4.4Å; L466-V475 HydrophobicContact CD1-CB 4.17Å; L466-V475 HydrophobicContact CD1-CG2 3.6Å; L466-V475 HydrophobicContact CD2-CG2 4.25Å
467	D	78.4	Confident	88.1	Confident	107 Å²	107	52.9 Å²	52.9	57%	0.572	30%	0.304	S	S	*	.			trans	-79.7	-27.8	-164.5	-70.7	-33.2	0	0	0	112.6	K457	K457-D467 IonicContact NZ-OD2 3.31Å; K457-D467 PolarHBondContact NZ-OD2 2.88Å
468	N	85.8	Confident	88.8	Confident	71 Å²	71	47.4 Å²	47.4	38%	0.38	28%	0.28	S	S	.	.	S	Bend	trans	-137.2	173.3	-169.8	75.2	72.4	0	0	0	113.4	S470 D471 R472	N468-S470 VanDerWaalsContact C-N 3.34Å; N468-S470 PolarHBondContact O-N 2.94Å; N468-S470 VanDerWaalsContact OD1-CA 3.3Å; N468-S470 WeakPolarHBondContact OD1-CA 3.34Å; N468-S470 WeakPolarHBondContact OD1-CB 3.46Å; N468-S470 PolarHBondContact OD1-N 2.64Å; N468-D471 PolarHBondContact ND2-OD1 3.37Å; N468-D471 PolarHBondContact ND2-OD2 3.5Å; N468-D471 PolarHBondContact OD1-N 2.6Å; N468-D471 PolarHBondContact OD1-OD1 2.97Å; N468-R472 WeakPolarHBondContact O-CG 3.46Å; N468-R472 PolarHBondContact O-N 3.03Å; N468-R472 PolarHBondContact O-NE 3.15Å
469	Y	89.5	Confident	89.6	Confident	54 Å²	54	43.9 Å²	43.9	21%	0.212	26%	0.259	C	S	.	.	H	α-helix	trans	-62.8	-38.2	179.7	172.7	-89.7	0	0	0	112.9	K428 M429 D432 R472 I473	K428-Y469 WeakPolarHBondContact CE-OH 3.42Å; M429-Y469 HydrophobicContact CG-CE2 3.71Å; M429-Y469 WeakPolarHBondContact CG-OH 3.39Å; M429-Y469 HydrophobicContact SD-CE2 4.1Å; D432-Y469 PolarHBondContact OD2-OH 2.92Å; Y469-R472 PolarHBondContact O-N 3.19Å; Y469-I473 HydrophobicContact CD1-CG2 4.15Å; Y469-I473 HydrophobicContact CE1-CB 4Å; Y469-I473 HydrophobicContact CE1-CG1 4.41Å; Y469-I473 HydrophobicContact CE1-CG2 3.75Å; Y469-I473 WeakPolarHBondContact O-CG2 3.38Å; Y469-I473 PolarHBondContact O-N 2.88Å
470	S	88.4	Confident	90.3	Very high	60 Å²	60	42 Å²	42	42%	0.42	25%	0.247	S	C	.	.	H	α-helix	trans	-60.3	-49.8	-178.1	-157.1	0	0	0	0	111	N468 R472 I473 Q474	N468-S470 VanDerWaalsContact C-N 3.34Å; N468-S470 PolarHBondContact O-N 2.94Å; N468-S470 VanDerWaalsContact OD1-CA 3.3Å; N468-S470 WeakPolarHBondContact OD1-CA 3.34Å; N468-S470 WeakPolarHBondContact OD1-CB 3.46Å; N468-S470 PolarHBondContact OD1-N 2.64Å; S470-R472 VanDerWaalsContact C-N 3.33Å; S470-R472 PolarHBondContact O-N 3.13Å; S470-I473 VanDerWaalsContact O-CG2 3.28Å; S470-I473 WeakPolarHBondContact O-CG2 3.37Å; S470-I473 PolarHBondContact O-N 2.79Å; S470-Q474 WeakPolarHBondContact O-CB 3.46Å; S470-Q474 WeakPolarHBondContact O-CG 3.48Å; S470-Q474 PolarHBondContact O-N 3.01Å
471	D	89.6	Confident	91	Very high	43 Å²	43	35.4 Å²	35.4	23%	0.23	20%	0.201	C	C	.	.	H	α-helix	trans	-63.6	-43.3	-180	-42.9	-13.4	0	0	0	110.1	M452 L466 N468 Q474 V475	M452-D471 HydrophobicContact CE-CB 4.39Å; M452-D471 WeakPolarHBondContact CE-O 3.28Å; L466-D471 HydrophobicContact CB-CB 4.24Å; L466-D471 HydrophobicContact CD2-CB 4.01Å; N468-D471 PolarHBondContact ND2-OD1 3.37Å; N468-D471 PolarHBondContact ND2-OD2 3.5Å; N468-D471 PolarHBondContact OD1-N 2.6Å; N468-D471 PolarHBondContact OD1-OD1 2.97Å; D471-Q474 PolarHBondContact O-N 3.42Å; D471-V475 WeakPolarHBondContact O-CG2 3.44Å; D471-V475 PolarHBondContact O-N 3.49Å; D471-V475 VanDerWaalsContact O-N 3.1Å
472	R	94.2	Very high	91.7	Very high	50 Å²	50	30.9 Å²	30.9	19%	0.189	17%	0.17	C	C	.	.	H	α-helix	trans	-65.9	-41.4	-179.6	-66.2	-178.6	-53.3	136.9	22.4	112.7	F351 E355 L466 N468 Y469 S470 V475 L476	F351-R472 HydrophobicContact CE1-CB 4.25Å; E355-R472 IonicContact OE1-CZ 3.49Å; E355-R472 IonicContact OE1-NE 3.43Å; E355-R472 IonicContact OE1-NH1 3.18Å; E355-R472 PolarHBondContact OE1-NH1 3.4Å; E355-R472 IonicContact OE1-NH2 2.65Å; E355-R472 PolarHBondContact OE1-NH2 3.41Å; E355-R472 IonicContact OE2-CZ 3.42Å; E355-R472 IonicContact OE2-NH1 2.72Å; E355-R472 PolarHBondContact OE2-NH1 2.61Å; L466-R472 HydrophobicContact CB-CG 3.51Å; L466-R472 HydrophobicContact CD1-CG 3.95Å; L466-R472 HydrophobicContact CG-CG 4.4Å; N468-R472 WeakPolarHBondContact O-CG 3.46Å; N468-R472 PolarHBondContact O-N 3.03Å; N468-R472 PolarHBondContact O-NE 3.15Å; Y469-R472 PolarHBondContact O-N 3.19Å; S470-R472 VanDerWaalsContact C-N 3.33Å; S470-R472 PolarHBondContact O-N 3.13Å; R472-V475 PolarHBondContact O-N 3.07Å; R472-L476 VanDerWaalsContact O-CG 3.3Å; R472-L476 WeakPolarHBondContact O-CG 3.49Å; R472-L476 PolarHBondContact O-N 3.29Å; R472-L476 VanDerWaalsContact O-N 3.08Å
473	I	96	Very high	92.4	Very high	12 Å²	12	29 Å²	29	6%	0.062	15%	0.15	C	C	.	.	H	α-helix	trans	-70.1	-35.6	178.2	-166	59.4	0	0	0	111.6	M429 D432 I433 Y469 S470 V475 L476 Q477	M429-I473 HydrophobicContact CB-CD1 4.04Å; M429-I473 HydrophobicContact CG-CD1 4.09Å; D432-I473 HydrophobicContact CB-CD1 4.05Å; D432-I473 HydrophobicContact CB-CG1 3.81Å; I433-I473 HydrophobicContact CD1-CD1 4.13Å; I433-I473 HydrophobicContact CG1-CD1 3.86Å; Y469-I473 HydrophobicContact CD1-CG2 4.15Å; Y469-I473 HydrophobicContact CE1-CB 4Å; Y469-I473 HydrophobicContact CE1-CG1 4.41Å; Y469-I473 HydrophobicContact CE1-CG2 3.75Å; Y469-I473 WeakPolarHBondContact O-CG2 3.38Å; Y469-I473 PolarHBondContact O-N 2.88Å; S470-I473 VanDerWaalsContact O-CG2 3.28Å; S470-I473 WeakPolarHBondContact O-CG2 3.37Å; S470-I473 PolarHBondContact O-N 2.79Å; I473-V475 PolarHBondContact O-N 3.13Å; I473-L476 HydrophobicContact CD1-CB 4.45Å; I473-L476 PolarHBondContact O-N 3.19Å; I473-Q477 HydrophobicContact CG1-CG 4.37Å; I473-Q477 WeakPolarHBondContact O-CB 3.35Å; I473-Q477 VanDerWaalsContact O-CG 3.27Å; I473-Q477 WeakPolarHBondContact O-CG 3.13Å; I473-Q477 PolarHBondContact O-N 2.74Å
474	Q	93.8	Very high	93	Very high	40 Å²	40	28.5 Å²	28.5	19%	0.187	15%	0.147	C	C	.	.	H	α-helix	trans	-61.8	-41.1	174.3	-80.6	177.6	-24.9	0	0	112.2	D448 M452 S470 D471 N478	D448-Q474 PolarHBondContact OD2-NE2 3.33Å; M452-Q474 HydrophobicContact CE-CB 3.57Å; S470-Q474 WeakPolarHBondContact O-CB 3.46Å; S470-Q474 WeakPolarHBondContact O-CG 3.48Å; S470-Q474 PolarHBondContact O-N 3.01Å; D471-Q474 PolarHBondContact O-N 3.42Å; Q474-N478 WeakPolarHBondContact O-CB 3.47Å; Q474-N478 PolarHBondContact O-N 3Å; Q474-N478 PolarHBondContact O-ND2 2.96Å
475	V	96.1	Very high	93.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.9	-44	173	-179.3	0	0	0	0	111.2	F351 M452 L466 D471 R472 I473 Q477 N478 M479 W550 L553	F351-V475 HydrophobicContact CZ-CB 4.05Å; F351-V475 HydrophobicContact CZ-CG1 3.71Å; M452-V475 HydrophobicContact CE-CG2 3.73Å; M452-V475 HydrophobicContact SD-CG2 3.13Å; M452-V475 WeakPolarHBondContact SD-CG2 3.34Å; L466-V475 HydrophobicContact CD1-CB 4.17Å; L466-V475 HydrophobicContact CD1-CG2 3.6Å; L466-V475 HydrophobicContact CD2-CG2 4.25Å; D471-V475 WeakPolarHBondContact O-CG2 3.44Å; D471-V475 PolarHBondContact O-N 3.49Å; D471-V475 VanDerWaalsContact O-N 3.1Å; R472-V475 PolarHBondContact O-N 3.07Å; I473-V475 PolarHBondContact O-N 3.13Å; V475-Q477 PolarHBondContact O-N 3.36Å; V475-N478 PolarHBondContact O-N 3.3Å; V475-M479 VanDerWaalsContact O-CB 3.22Å; V475-M479 WeakPolarHBondContact O-CB 3.28Å; V475-M479 PolarHBondContact O-N 3.14Å; V475-W550 HydrophobicContact CG1-CH2 4.16Å; V475-W550 HydrophobicContact CG1-CZ3 4.09Å; V475-L553 HydrophobicContact CG1-CD2 4.43Å; V475-L553 HydrophobicContact CG2-CD2 4.2Å
476	L	98.1	Very high	94.3	Very high	2 Å²	2	25 Å²	25	1%	0.01	13%	0.128	C	C	.	.	H	α-helix	trans	-65.6	-38	179.7	-67.8	172.1	0	0	0	112.7	L342 F351 E355 A359 I433 R472 I473 M479 V480	L342-L476 HydrophobicContact CD2-CD2 4.12Å; F351-L476 HydrophobicContact CD1-CD1 4.06Å; F351-L476 HydrophobicContact CD1-CD2 3.8Å; F351-L476 HydrophobicContact CD1-CG 3.96Å; F351-L476 HydrophobicContact CD2-CD2 4.24Å; F351-L476 HydrophobicContact CE1-CD1 4.13Å; F351-L476 HydrophobicContact CE1-CD2 3.64Å; F351-L476 HydrophobicContact CE1-CG 3.61Å; F351-L476 HydrophobicContact CE2-CD2 4.08Å; F351-L476 HydrophobicContact CG-CD2 4.1Å; F351-L476 HydrophobicContact CZ-CD2 3.79Å; F351-L476 HydrophobicContact CZ-CG 4.11Å; E355-L476 HydrophobicContact CB-CD1 3.94Å; E355-L476 HydrophobicContact CG-CD1 4.07Å; A359-L476 HydrophobicContact CB-CD2 4.14Å; I433-L476 HydrophobicContact CD1-CB 4.03Å; I433-L476 HydrophobicContact CG1-CB 4.33Å; R472-L476 VanDerWaalsContact O-CG 3.3Å; R472-L476 WeakPolarHBondContact O-CG 3.49Å; R472-L476 PolarHBondContact O-N 3.29Å; R472-L476 VanDerWaalsContact O-N 3.08Å; I473-L476 HydrophobicContact CD1-CB 4.45Å; I473-L476 PolarHBondContact O-N 3.19Å; L476-M479 PolarHBondContact O-N 3.15Å; L476-V480 PolarHBondContact O-N 2.85Å; L476-V480 VanDerWaalsContact O-N 3.11Å
477	Q	98.2	Very high	94.9	Very high	33 Å²	33	24.4 Å²	24.4	15%	0.154	13%	0.125	C	C	.	.	H	α-helix	trans	-60.9	-52.4	173.2	-76.4	171.9	-47	0	0	110.7	D432 I433 A436 L445 I473 V475 M479 V480 H481	D432-Q477 PolarHBondContact O-NE2 3.24Å; I433-Q477 HydrophobicContact CG1-CG 4.28Å; A436-Q477 HydrophobicContact CB-CB 3.83Å; A436-Q477 HydrophobicContact CB-CG 3.8Å; L445-Q477 HydrophobicContact CD2-CB 4.06Å; I473-Q477 HydrophobicContact CG1-CG 4.37Å; I473-Q477 WeakPolarHBondContact O-CB 3.35Å; I473-Q477 VanDerWaalsContact O-CG 3.27Å; I473-Q477 WeakPolarHBondContact O-CG 3.13Å; I473-Q477 PolarHBondContact O-N 2.74Å; V475-Q477 PolarHBondContact O-N 3.36Å; Q477-M479 VanDerWaalsContact C-N 3.3Å; Q477-M479 PolarHBondContact O-N 3.3Å; Q477-V480 PolarHBondContact O-N 2.84Å; Q477-H481 WeakPolarHBondContact O-CB 3.37Å; Q477-H481 PolarHBondContact O-N 3.11Å
478	N	97.6	Very high	95.9	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-62.7	-36.7	177.3	-84.1	-78.2	0	0	0	112.3	L445 L449 Q474 V475 H481 C482	L445-N478 PolarHBondContact O-ND2 3.29Å; L445-N478 PolarHBondContact O-OD1 3.09Å; L449-N478 HydrophobicContact CD1-CB 4.04Å; L449-N478 HydrophobicContact CD2-CB 4.31Å; Q474-N478 WeakPolarHBondContact O-CB 3.47Å; Q474-N478 PolarHBondContact O-N 3Å; Q474-N478 PolarHBondContact O-ND2 2.96Å; V475-N478 PolarHBondContact O-N 3.3Å; N478-H481 PolarHBondContact O-N 2.72Å; N478-C482 WeakPolarHBondContact O-CB 3.49Å; N478-C482 PolarHBondContact O-N 3.38Å; N478-C482 PolarHBondContact O-SG 3.48Å
479	M	98.4	Very high	96.5	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-61.8	-46.8	177.8	-177.1	-175.4	-73.4	0	0	112.1	T338 L341 L342 L347 F351 V475 L476 Q477 C482 A483 W550	T338-M479 HydrophobicContact CG2-SD 4.36Å; L341-M479 HydrophobicContact CB-CE 4.34Å; L341-M479 HydrophobicContact CB-CG 3.68Å; L341-M479 HydrophobicContact CB-SD 4.01Å; L341-M479 HydrophobicContact CD1-CG 3.88Å; L341-M479 HydrophobicContact CG-CG 4.46Å; L342-M479 HydrophobicContact CB-SD 4.4Å; L342-M479 HydrophobicContact CD2-CE 3.9Å; L342-M479 HydrophobicContact CD2-SD 3.52Å; L342-M479 VanDerWaalsContact CD2-SD 3.52Å; L342-M479 HydrophobicContact CG-CE 4.28Å; L342-M479 HydrophobicContact CG-SD 3.5Å; L342-M479 WeakPolarHBondContact CG-SD 3.22Å; L347-M479 HydrophobicContact CD1-CE 3.49Å; L347-M479 VanDerWaalsContact CD1-CE 3.49Å; F351-M479 HydrophobicContact CE2-CE 3.97Å; V475-M479 VanDerWaalsContact O-CB 3.22Å; V475-M479 WeakPolarHBondContact O-CB 3.28Å; V475-M479 PolarHBondContact O-N 3.14Å; L476-M479 PolarHBondContact O-N 3.15Å; Q477-M479 VanDerWaalsContact C-N 3.3Å; Q477-M479 PolarHBondContact O-N 3.3Å; M479-C482 PolarHBondContact O-N 3.16Å; M479-A483 WeakPolarHBondContact O-CB 3.41Å; M479-A483 PolarHBondContact O-N 3.08Å; M479-W550 HydrophobicContact CB-CH2 3.64Å; M479-W550 HydrophobicContact CB-CZ3 3.89Å; M479-W550 HydrophobicContact CE-CH2 3.65Å; M479-W550 HydrophobicContact CE-CZ2 4.18Å; M479-W550 HydrophobicContact CG-CH2 3.83Å; M479-W550 HydrophobicContact CG-CZ2 4.32Å
480	V	98.7	Very high	96.9	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.006	7%	0.071	C	C	.	.	H	α-helix	trans	-69.8	-36.7	177.3	176.2	0	0	0	0	110.7	V334 T338 I433 T437 L476 Q477 A483 D484	V334-V480 HydrophobicContact CG1-CG1 4.47Å; T338-V480 HydrophobicContact CG2-CG2 3.98Å; I433-V480 HydrophobicContact CG2-CB 3.72Å; I433-V480 HydrophobicContact CG2-CG1 3.94Å; I433-V480 HydrophobicContact CG2-CG2 3.59Å; T437-V480 HydrophobicContact CG2-CG1 4.08Å; L476-V480 PolarHBondContact O-N 2.85Å; L476-V480 VanDerWaalsContact O-N 3.11Å; Q477-V480 PolarHBondContact O-N 2.84Å; V480-A483 WeakPolarHBondContact O-CB 3.47Å; V480-A483 PolarHBondContact O-N 2.92Å; V480-D484 WeakPolarHBondContact O-CB 3.45Å; V480-D484 PolarHBondContact O-N 3.43Å
481	H	98.4	Very high	97.4	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-62.4	-41.5	173.6	-166.5	69	0	0	0	112.5	M439 H442 L445 Q477 N478 D484 L485	M439-H481 WeakPolarHBondContact CE-CE1 3.29Å; H442-H481 AromaticContact ND1-CD2 3.94Å; H442-H481 AromaticContact ND1-NE2 3.2Å; H442-H481 PolarHBondContact ND1-NE2 2.83Å; L445-H481 HydrophobicContact CD1-CB 4.23Å; Q477-H481 WeakPolarHBondContact O-CB 3.37Å; Q477-H481 PolarHBondContact O-N 3.11Å; N478-H481 PolarHBondContact O-N 2.72Å; H481-D484 PolarHBondContact O-N 2.91Å; H481-L485 VanDerWaalsContact NE2-CD1 3.34Å; H481-L485 WeakPolarHBondContact NE2-CD1 3.47Å; H481-L485 WeakPolarHBondContact O-CB 3.49Å; H481-L485 WeakPolarHBondContact O-CG 3.49Å; H481-L485 PolarHBondContact O-N 2.88Å
482	C	98.6	Very high	97.8	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-62.7	-43.4	171.1	-70.5	0	0	0	0	111.4	L341 N478 M479 D484 L485 S486 W547	L341-C482 HydrophobicContact CD1-CB 4.24Å; N478-C482 WeakPolarHBondContact O-CB 3.49Å; N478-C482 PolarHBondContact O-N 3.38Å; N478-C482 PolarHBondContact O-SG 3.48Å; M479-C482 PolarHBondContact O-N 3.16Å; C482-D484 VanDerWaalsContact C-N 3.32Å; C482-D484 PolarHBondContact O-N 3.23Å; C482-L485 CarbonylContact O-C 3.48Å; C482-L485 PolarHBondContact O-N 3.35Å; C482-S486 WeakPolarHBondContact O-CA 3.45Å; C482-S486 WeakPolarHBondContact O-CB 3.44Å; C482-S486 PolarHBondContact O-N 3.5Å; C482-W547 HydrophobicContact CB-CH2 4.03Å; C482-W547 HydrophobicContact CB-CZ2 3.88Å; C482-W547 HydrophobicContact CB-CZ3 4.44Å; C482-W547 WeakPolarHBondContact O-CZ2 3.27Å
483	A	98.7	Very high	98	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-63	-37.5	178.3	0	0	0	0	0	112.6	V334 T338 L341 M479 V480 S486	V334-A483 HydrophobicContact CG1-CB 3.98Å; T338-A483 WeakPolarHBondContact OG1-CB 3.48Å; L341-A483 HydrophobicContact CD1-CB 4.27Å; M479-A483 WeakPolarHBondContact O-CB 3.41Å; M479-A483 PolarHBondContact O-N 3.08Å; V480-A483 WeakPolarHBondContact O-CB 3.47Å; V480-A483 PolarHBondContact O-N 2.92Å; A483-S486 WeakPolarHBondContact O-CB 3.22Å; A483-S486 PolarHBondContact O-N 2.66Å; A483-S486 PolarHBondContact O-OG 3.27Å
484	D	98.8	Very high	98.1	Very high	12 Å²	12	18.3 Å²	18.3	6%	0.064	9%	0.094	C	C	.	.	H	α-helix	trans	-66.5	-46	173.5	-174.2	12.4	0	0	0	111.2	H330 V334 H366 M439 V480 H481 C482 S486	H330-D484 IonicContact CE1-OD1 2.8Å; H330-D484 PolarHBondContact CE1-OD1 2.68Å; H330-D484 VanDerWaalsContact CE1-OD1 3.29Å; H330-D484 IonicContact NE2-OD1 3.79Å; H330-D484 PolarHBondContact NE2-OD1 2.89Å; V334-D484 HydrophobicContact CG1-CB 4.46Å; V334-D484 HydrophobicContact CG2-CB 4.46Å; H366-D484 IonicContact NE2-OD1 2.73Å; M439-D484 WeakPolarHBondContact CE-OD2 3.48Å; V480-D484 WeakPolarHBondContact O-CB 3.45Å; V480-D484 PolarHBondContact O-N 3.43Å; H481-D484 PolarHBondContact O-N 2.91Å; C482-D484 VanDerWaalsContact C-N 3.32Å; C482-D484 PolarHBondContact O-N 3.23Å; D484-S486 PolarHBondContact O-N 2.97Å; D484-S486 VanDerWaalsContact O-N 3.14Å
485	L	98.5	Very high	98.3	Very high	14 Å²	14	16.5 Å²	16.5	7%	0.073	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	31.5	175	-58.2	-171.1	0	0	0	113.8	M439 H481 C482 F538 I542 L546 W547	M439-L485 HydrophobicContact CE-CD2 3.96Å; M439-L485 HydrophobicContact CE-CG 4.27Å; M439-L485 HydrophobicContact SD-CD1 4.14Å; M439-L485 HydrophobicContact SD-CD2 3.87Å; M439-L485 HydrophobicContact SD-CG 4.36Å; H481-L485 VanDerWaalsContact NE2-CD1 3.34Å; H481-L485 WeakPolarHBondContact NE2-CD1 3.47Å; H481-L485 WeakPolarHBondContact O-CB 3.49Å; H481-L485 WeakPolarHBondContact O-CG 3.49Å; H481-L485 PolarHBondContact O-N 2.88Å; C482-L485 CarbonylContact O-C 3.48Å; C482-L485 PolarHBondContact O-N 3.35Å; L485-F538 HydrophobicContact CD2-CZ 4.08Å; L485-I542 HydrophobicContact CD1-CG2 4.04Å; L485-L546 HydrophobicContact CB-CD2 4.19Å; L485-L546 HydrophobicContact CD1-CD2 3.85Å; L485-W547 PolarHBondContact O-NE1 2.91Å; L485-W547 VanDerWaalsContact O-NE1 3.08Å
486	S	98.6	Very high	98.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-19	-173.3	67.7	0	0	0	0	114.3	C482 A483 D484 T489 K490	C482-S486 WeakPolarHBondContact O-CA 3.45Å; C482-S486 WeakPolarHBondContact O-CB 3.44Å; C482-S486 PolarHBondContact O-N 3.5Å; A483-S486 WeakPolarHBondContact O-CB 3.22Å; A483-S486 PolarHBondContact O-N 2.66Å; A483-S486 PolarHBondContact O-OG 3.27Å; D484-S486 PolarHBondContact O-N 2.97Å; D484-S486 VanDerWaalsContact O-N 3.14Å; S486-T489 WeakPolarHBondContact O-CA 3.19Å; S486-T489 WeakPolarHBondContact O-CB 3.42Å; S486-T489 PolarHBondContact O-N 3.49Å; S486-T489 PolarHBondContact O-OG1 3.44Å; S486-K490 PolarHBondContact O-N 3.18Å; S486-K490 VanDerWaalsContact OG-CE 3.27Å; S486-K490 WeakPolarHBondContact OG-CE 3.35Å; S486-K490 PolarHBondContact OG-NZ 2.82Å
487	N	98.6	Very high	98.4	Very high	14 Å²	14	25.2 Å²	25.2	8%	0.075	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-52.2	-45.4	-171.1	-54	-29.3	0	0	0	114.2	Y325 T489 K490 Y495 W498	Y325-N487 VanDerWaalsContact CE2-ND2 3.28Å; Y325-N487 WeakPolarHBondContact CE2-ND2 3.34Å; Y325-N487 PolarHBondContact OH-ND2 3.41Å; N487-T489 PolarHBondContact O-N 3.4Å; N487-T489 VanDerWaalsContact O-N 3.13Å; N487-K490 WeakPolarHBondContact O-CB 3.45Å; N487-K490 PolarHBondContact O-N 3.16Å; N487-Y495 HydrophobicContact CB-CD2 4.04Å; N487-Y495 HydrophobicContact CB-CE2 4.46Å; N487-Y495 WeakPolarHBondContact O-CB 3.43Å; N487-Y495 WeakPolarHBondContact O-CD2 3.38Å; N487-W498 HydrophobicContact CB-CB 3.92Å; N487-W498 HydrophobicContact CB-CG 4.05Å
488	P	98.7	Very high	98.4	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.013	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-67	-13.4	-179.3	-22.3	37.6	0	0	0	114.4	Y495 F538 I539 V543 L565 N568	P488-Y495 HydrophobicContact CB-CD1 4.42Å; P488-Y495 HydrophobicContact CB-CD2 4.4Å; P488-Y495 HydrophobicContact CB-CE1 3.81Å; P488-Y495 HydrophobicContact CB-CE2 3.85Å; P488-Y495 HydrophobicContact CG-CD2 4.37Å; P488-Y495 HydrophobicContact CG-CE1 4.47Å; P488-Y495 HydrophobicContact CG-CE2 3.64Å; P488-F538 HydrophobicContact CG-CD1 4.34Å; P488-F538 HydrophobicContact CG-CE1 4.09Å; P488-I539 HydrophobicContact CB-CD1 4.13Å; P488-I539 HydrophobicContact CB-CG1 3.92Å; P488-I539 HydrophobicContact CG-CG1 4.44Å; P488-V543 HydrophobicContact CB-CG1 4.16Å; P488-V543 HydrophobicContact CG-CG1 4.08Å; P488-V543 HydrophobicContact CG-CG2 4.18Å; P488-L565 HydrophobicContact CB-CD1 3.57Å; P488-N568 PolarHBondContact O-ND2 2.71Å
489	T	98.7	Very high	98.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-97.6	-3.4	177	78	0	0	0	0	113.2	W268 S486 N487 V543 W547 I561 T564 L565	W268-T489 VanDerWaalsContact CZ2-OG1 3.22Å; W268-T489 WeakPolarHBondContact CZ2-OG1 3.33Å; W268-T489 PolarHBondContact NE1-O 2.68Å; W268-T489 VanDerWaalsContact NE1-O 3.1Å; W268-T489 PolarHBondContact NE1-OG1 3.34Å; S486-T489 WeakPolarHBondContact O-CA 3.19Å; S486-T489 WeakPolarHBondContact O-CB 3.42Å; S486-T489 PolarHBondContact O-N 3.49Å; S486-T489 PolarHBondContact O-OG1 3.44Å; N487-T489 PolarHBondContact O-N 3.4Å; N487-T489 VanDerWaalsContact O-N 3.13Å; T489-V543 HydrophobicContact CG2-CG1 4.5Å; T489-W547 HydrophobicContact CG2-CD2 3.9Å; T489-W547 HydrophobicContact CG2-CG 3.87Å; T489-W547 HydrophobicContact CG2-CZ2 4.2Å; T489-I561 VanDerWaalsContact CB-CG2 3.4Å; T489-I561 HydrophobicContact CG2-CG2 3.75Å; T489-T564 VanDerWaalsContact O-CG2 3.31Å; T489-T564 WeakPolarHBondContact O-CG2 3.38Å; T489-L565 HydrophobicContact CG2-CB 4.15Å; T489-L565 HydrophobicContact CG2-CD1 4.12Å; T489-L565 HydrophobicContact CG2-CD2 4.31Å; T489-L565 HydrophobicContact CG2-CG 4.43Å
490	K	98.6	Very high	98.4	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.009	14%	0.141	C	C	.	.	S	Bend	trans	-79.3	159.1	176	-58	-65.6	169.7	66.6	0	109.4	W268 D333 S337 S486 N487 L492 L494 N568	W268-K490 HydrophobicContact CZ2-CD 4.24Å; W268-K490 VanDerWaalsContact CZ2-CE 3.5Å; D333-K490 IonicContact OD1-NZ 2.68Å; D333-K490 PolarHBondContact OD1-NZ 3.31Å; D333-K490 IonicContact OD2-NZ 3.94Å; D333-K490 PolarHBondContact OD2-NZ 3.33Å; S337-K490 WeakPolarHBondContact OG-CE 3.45Å; S337-K490 PolarHBondContact OG-NZ 2.73Å; S486-K490 PolarHBondContact O-N 3.18Å; S486-K490 VanDerWaalsContact OG-CE 3.27Å; S486-K490 WeakPolarHBondContact OG-CE 3.35Å; S486-K490 PolarHBondContact OG-NZ 2.82Å; N487-K490 WeakPolarHBondContact O-CB 3.45Å; N487-K490 PolarHBondContact O-N 3.16Å; K490-L492 PolarHBondContact O-N 2.88Å; K490-L494 HydrophobicContact CB-CB 4.13Å; K490-N568 PolarHBondContact O-ND2 3.15Å
491	P	98.3	Very high	98.4	Very high	59 Å²	59	32 Å²	32	38%	0.383	15%	0.153	S	C	.	.			trans	-48.7	137.3	171.2	-28.6	34.4	0	0	0	112	Q493 L494 Y495	P491-Q493 PolarHBondContact O-N 3.29Å; P491-L494 WeakPolarHBondContact O-CB 3.41Å; P491-L494 PolarHBondContact O-N 3.16Å; P491-Y495 PolarHBondContact O-N 2.9Å; P491-Y495 VanDerWaalsContact O-N 3.17Å
492	L	98.2	Very high	98.4	Very high	49 Å²	49	33.2 Å²	33.2	26%	0.257	16%	0.159	S	C	.	.	H	α-helix	trans	-47	-35.7	-171	-176.7	62.7	0	0	0	114.6	K490 L494 Y495 R496 N568 W571	K490-L492 PolarHBondContact O-N 2.88Å; L492-L494 VanDerWaalsContact C-N 3.34Å; L492-L494 PolarHBondContact O-N 3.43Å; L492-Y495 PolarHBondContact O-N 2.94Å; L492-R496 HydrophobicContact CD1-CG 3.99Å; L492-R496 HydrophobicContact CG-CG 4.29Å; L492-R496 WeakPolarHBondContact O-CB 3.23Å; L492-R496 VanDerWaalsContact O-CG 3.27Å; L492-R496 WeakPolarHBondContact O-CG 3.42Å; L492-R496 PolarHBondContact O-N 3.09Å; L492-N568 WeakPolarHBondContact CA-OD1 3.44Å; L492-N568 WeakPolarHBondContact CB-OD1 3.38Å; L492-N568 WeakPolarHBondContact CD1-OD1 3.25Å; L492-W571 HydrophobicContact CD1-CB 4.4Å; L492-W571 HydrophobicContact CD1-CD2 3.74Å; L492-W571 HydrophobicContact CD1-CE3 3.67Å; L492-W571 HydrophobicContact CD1-CG 4.05Å; L492-W571 HydrophobicContact CD1-CZ3 4.27Å; L492-W571 HydrophobicContact CD2-CB 4.43Å; L492-W571 HydrophobicContact CD2-CD2 3.78Å; L492-W571 HydrophobicContact CD2-CG 3.68Å; L492-W571 HydrophobicContact CG-CD2 4.35Å
493	Q	97.8	Very high	98.3	Very high	151 Å²	151	33.7 Å²	33.7	71%	0.706	16%	0.161	S	C	*	.	H	α-helix	trans	-63.6	-35.7	178.3	-64.8	-177.8	-0.9	0	0	113.6	P491 Q497	P491-Q493 PolarHBondContact O-N 3.29Å; Q493-Q497 PolarHBondContact O-NE2 2.92Å
494	L	98.3	Very high	98.3	Very high	6 Å²	6	37.8 Å²	37.8	3%	0.031	18%	0.18	C	C	.	.	H	α-helix	trans	-78.2	-45.4	175	-62.7	-180	0	0	0	110.2	H271 F273 K490 P491 L492 R496 Q497 W498	H271-L494 HydrophobicContact CB-CD2 4.45Å; F273-L494 HydrophobicContact CD2-CD2 3.73Å; F273-L494 HydrophobicContact CE2-CD2 4.01Å; K490-L494 HydrophobicContact CB-CB 4.13Å; P491-L494 WeakPolarHBondContact O-CB 3.41Å; P491-L494 PolarHBondContact O-N 3.16Å; L492-L494 VanDerWaalsContact C-N 3.34Å; L492-L494 PolarHBondContact O-N 3.43Å; L494-R496 VanDerWaalsContact C-N 3.3Å; L494-R496 PolarHBondContact O-N 3.22Å; L494-Q497 PolarHBondContact O-N 2.87Å; L494-Q497 VanDerWaalsContact O-N 3.11Å; L494-W498 PolarHBondContact O-N 3.32Å
495	Y	98.6	Very high	98.3	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.008	18%	0.179	C	C	.	.	H	α-helix	trans	-58.9	-41.5	-179.4	179.9	-153.5	0	0	0	112.3	N487 P488 P491 L492 Q497 W498 T499 Q535 I539 N568 Y572	N487-Y495 HydrophobicContact CB-CD2 4.04Å; N487-Y495 HydrophobicContact CB-CE2 4.46Å; N487-Y495 WeakPolarHBondContact O-CB 3.43Å; N487-Y495 WeakPolarHBondContact O-CD2 3.38Å; P488-Y495 HydrophobicContact CB-CD1 4.42Å; P488-Y495 HydrophobicContact CB-CD2 4.4Å; P488-Y495 HydrophobicContact CB-CE1 3.81Å; P488-Y495 HydrophobicContact CB-CE2 3.85Å; P488-Y495 HydrophobicContact CG-CD2 4.37Å; P488-Y495 HydrophobicContact CG-CE1 4.47Å; P488-Y495 HydrophobicContact CG-CE2 3.64Å; P491-Y495 PolarHBondContact O-N 2.9Å; P491-Y495 VanDerWaalsContact O-N 3.17Å; L492-Y495 PolarHBondContact O-N 2.94Å; Y495-Q497 PolarHBondContact O-N 3.24Å; Y495-W498 WeakPolarHBondContact O-CB 3.43Å; Y495-W498 PolarHBondContact O-N 3.11Å; Y495-T499 WeakPolarHBondContact CE2-OG1 3.37Å; Y495-T499 PolarHBondContact O-N 2.91Å; Y495-T499 PolarHBondContact O-OG1 3.2Å; Y495-Q535 PolarHBondContact OH-OE1 3.41Å; Y495-I539 HydrophobicContact CE1-CD1 4.24Å; Y495-N568 HydrophobicContact CD1-CB 3.87Å; Y495-N568 HydrophobicContact CE1-CB 4.04Å; Y495-Y572 HydrophobicContact CD1-CD2 4.28Å; Y495-Y572 AromaticContact CD1-CE2 3.62Å; Y495-Y572 HydrophobicContact CD1-CE2 3.62Å; Y495-Y572 AromaticContact CE1-CD2 3.6Å; Y495-Y572 HydrophobicContact CE1-CD2 3.6Å; Y495-Y572 AromaticContact CE1-CE2 3.22Å; Y495-Y572 HydrophobicContact CE1-CE2 3.22Å; Y495-Y572 HydrophobicContact CG-CE2 4.44Å; Y495-Y572 AromaticContact CZ-CE2 3.73Å
496	R	98.2	Very high	98.2	Very high	120 Å²	120	40.3 Å²	40.3	45%	0.453	19%	0.191	S	C	.	.	H	α-helix	trans	-61.3	-42.3	175.3	-74.2	-177	65.2	-175.5	-0.3	113	L492 L494 W498 T499 D500 W571	L492-R496 HydrophobicContact CD1-CG 3.99Å; L492-R496 HydrophobicContact CG-CG 4.29Å; L492-R496 WeakPolarHBondContact O-CB 3.23Å; L492-R496 VanDerWaalsContact O-CG 3.27Å; L492-R496 WeakPolarHBondContact O-CG 3.42Å; L492-R496 PolarHBondContact O-N 3.09Å; L494-R496 VanDerWaalsContact C-N 3.3Å; L494-R496 PolarHBondContact O-N 3.22Å; R496-W498 VanDerWaalsContact C-N 3.32Å; R496-W498 PolarHBondContact O-N 3.07Å; R496-T499 WeakPolarHBondContact O-CB 3.47Å; R496-T499 PolarHBondContact O-N 3.39Å; R496-D500 PolarHBondContact O-N 2.93Å; R496-W571 HydrophobicContact CG-CH2 4.15Å; R496-W571 HydrophobicContact CG-CZ3 4.12Å
497	Q	98.3	Very high	98.2	Very high	65 Å²	65	42.5 Å²	42.5	30%	0.304	20%	0.2	S	C	.	.	H	α-helix	trans	-64.5	-37.5	175.8	-74.4	175.7	77.8	0	0	111.9	F273 Q493 L494 Y495 R501	F273-Q497 HydrophobicContact CD2-CB 4.19Å; F273-Q497 HydrophobicContact CE2-CB 3.52Å; F273-Q497 HydrophobicContact CE2-CG 4.33Å; F273-Q497 HydrophobicContact CZ-CB 3.73Å; Q493-Q497 PolarHBondContact O-NE2 2.92Å; L494-Q497 PolarHBondContact O-N 2.87Å; L494-Q497 VanDerWaalsContact O-N 3.11Å; Y495-Q497 PolarHBondContact O-N 3.24Å; Q497-R501 VanDerWaalsContact O-CG 3.27Å; Q497-R501 WeakPolarHBondContact O-CG 3.26Å; Q497-R501 PolarHBondContact O-N 3.35Å; Q497-R501 VanDerWaalsContact O-N 3.13Å
498	W	98.7	Very high	98.1	Very high	1 Å²	1	46.2 Å²	46.2	0%	0.004	21%	0.213	C	C	.	.	H	α-helix	trans	-64.8	-41.1	172.7	-75.2	131.5	0	0	0	112.3	V272 F273 Y325 I329 H330 D333 N487 L494 Y495 R496 R501 I502	V272-W498 HydrophobicContact CG1-CZ2 3.77Å; F273-W498 HydrophobicContact CE1-CD2 4.3Å; F273-W498 HydrophobicContact CE1-CE3 4.27Å; F273-W498 AromaticContact CE1-CH2 3.84Å; F273-W498 HydrophobicContact CE1-CH2 3.84Å; F273-W498 AromaticContact CE1-CZ2 3.91Å; F273-W498 HydrophobicContact CE1-CZ2 3.91Å; F273-W498 HydrophobicContact CE1-CZ3 4.04Å; F273-W498 HydrophobicContact CE2-CD2 4.43Å; F273-W498 HydrophobicContact CE2-CZ2 4.44Å; F273-W498 AromaticContact CZ-CD2 3.55Å; F273-W498 HydrophobicContact CZ-CD2 3.55Å; F273-W498 AromaticContact CZ-CE2 3.43Å; F273-W498 VanDerWaalsContact CZ-CE2 3.43Å; F273-W498 AromaticContact CZ-CE3 3.93Å; F273-W498 HydrophobicContact CZ-CE3 3.93Å; F273-W498 HydrophobicContact CZ-CG 4.05Å; F273-W498 AromaticContact CZ-CH2 3.99Å; F273-W498 HydrophobicContact CZ-CH2 3.99Å; F273-W498 AromaticContact CZ-CZ2 3.66Å; F273-W498 HydrophobicContact CZ-CZ2 3.66Å; F273-W498 HydrophobicContact CZ-CZ3 4.13Å; F273-W498 AromaticContact CZ-NE1 3.93Å; Y325-W498 AromaticContact CD2-CE3 3.75Å; Y325-W498 HydrophobicContact CD2-CE3 3.75Å; Y325-W498 HydrophobicContact CD2-CZ3 4.24Å; Y325-W498 HydrophobicContact CE2-CD2 4.34Å; Y325-W498 AromaticContact CE2-CE3 3.67Å; Y325-W498 HydrophobicContact CE2-CE3 3.67Å; Y325-W498 HydrophobicContact CE2-CZ3 4.3Å; I329-W498 HydrophobicContact CB-CH2 4.16Å; I329-W498 HydrophobicContact CG2-CH2 3.7Å; I329-W498 HydrophobicContact CG2-CZ2 4.22Å; H330-W498 HydrophobicContact CB-CH2 3.96Å; H330-W498 HydrophobicContact CB-CZ3 4Å; D333-W498 HydrophobicContact CB-CZ2 3.79Å; D333-W498 PolarHBondContact OD2-NE1 3.39Å; D333-W498 VanDerWaalsContact OD2-NE1 3.15Å; N487-W498 HydrophobicContact CB-CB 3.92Å; N487-W498 HydrophobicContact CB-CG 4.05Å; L494-W498 PolarHBondContact O-N 3.32Å; Y495-W498 WeakPolarHBondContact O-CB 3.43Å; Y495-W498 PolarHBondContact O-N 3.11Å; R496-W498 VanDerWaalsContact C-N 3.32Å; R496-W498 PolarHBondContact O-N 3.07Å; W498-R501 PolarHBondContact O-N 3.37Å; W498-I502 WeakPolarHBondContact O-CG2 3.34Å; W498-I502 PolarHBondContact O-N 2.89Å
499	T	98.2	Very high	98	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.012	22%	0.215	C	C	.	.	H	α-helix	trans	-61.5	-45.4	175.8	-57.6	0	0	0	0	111.3	Y495 R496 R501 I502 M503 V531 Q535 Y572	Y495-T499 WeakPolarHBondContact CE2-OG1 3.37Å; Y495-T499 PolarHBondContact O-N 2.91Å; Y495-T499 PolarHBondContact O-OG1 3.2Å; R496-T499 WeakPolarHBondContact O-CB 3.47Å; R496-T499 PolarHBondContact O-N 3.39Å; T499-R501 VanDerWaalsContact C-N 3.29Å; T499-R501 PolarHBondContact O-N 2.93Å; T499-I502 VanDerWaalsContact O-CG2 3.31Å; T499-I502 WeakPolarHBondContact O-CG2 3.38Å; T499-I502 PolarHBondContact O-N 2.67Å; T499-M503 HydrophobicContact CG2-CG 4.37Å; T499-M503 WeakPolarHBondContact O-CB 3.38Å; T499-M503 VanDerWaalsContact O-CG 3.26Å; T499-M503 WeakPolarHBondContact O-CG 3.31Å; T499-M503 PolarHBondContact O-N 2.98Å; T499-V531 HydrophobicContact CG2-CG1 3.73Å; T499-Q535 HydrophobicContact CG2-CG 3.8Å; T499-Y572 VanDerWaalsContact CB-OH 3.3Å; T499-Y572 WeakPolarHBondContact CB-OH 3.33Å; T499-Y572 HydrophobicContact CG2-CE1 4.35Å; T499-Y572 PolarHBondContact OG1-OH 3.18Å
500	D	97.7	Very high	98	Very high	106 Å²	106	46.7 Å²	46.7	57%	0.567	22%	0.215	S	C	*	.	H	α-helix	trans	-60.1	-41.5	176.9	-68.8	-21.9	0	0	0	111.4	R496 E504	R496-D500 PolarHBondContact O-N 2.93Å; D500-E504 WeakPolarHBondContact O-CB 3.31Å; D500-E504 PolarHBondContact O-N 3.39Å
501	R	98.4	Very high	97.9	Very high	67 Å²	67	49 Å²	49	25%	0.253	23%	0.228	S	C	.	.	H	α-helix	trans	-68	-44.8	179.4	-74.2	171.4	178	-79.5	1.5	113.4	A324 Y325 Q497 W498 T499 E504 E505	A324-R501 PolarHBondContact O-NH1 3.32Å; Y325-R501 HydrophobicContact CD2-CB 4.3Å; Q497-R501 VanDerWaalsContact O-CG 3.27Å; Q497-R501 WeakPolarHBondContact O-CG 3.26Å; Q497-R501 PolarHBondContact O-N 3.35Å; Q497-R501 VanDerWaalsContact O-N 3.13Å; W498-R501 PolarHBondContact O-N 3.37Å; T499-R501 VanDerWaalsContact C-N 3.29Å; T499-R501 PolarHBondContact O-N 2.93Å; R501-E504 PolarHBondContact O-N 3.41Å; R501-E505 PolarHBondContact O-N 3.41Å
502	I	97.8	Very high	97.8	Very high	26 Å²	26	50 Å²	50	13%	0.133	22%	0.224	C	C	.	.	H	α-helix	trans	-68.1	-38.9	179.1	-168.3	66	0	0	0	110.8	Y325 W498 T499 E505 F506	Y325-I502 HydrophobicContact CD1-CD1 3.7Å; Y325-I502 HydrophobicContact CD2-CB 3.71Å; Y325-I502 HydrophobicContact CD2-CD1 4.03Å; Y325-I502 HydrophobicContact CD2-CG1 4.39Å; Y325-I502 HydrophobicContact CE1-CD1 4.2Å; Y325-I502 HydrophobicContact CE2-CB 4.24Å; Y325-I502 HydrophobicContact CE2-CD1 4.48Å; Y325-I502 HydrophobicContact CG-CB 4.08Å; Y325-I502 HydrophobicContact CG-CD1 3.62Å; Y325-I502 HydrophobicContact CG-CG1 4.43Å; W498-I502 WeakPolarHBondContact O-CG2 3.34Å; W498-I502 PolarHBondContact O-N 2.89Å; T499-I502 VanDerWaalsContact O-CG2 3.31Å; T499-I502 WeakPolarHBondContact O-CG2 3.38Å; T499-I502 PolarHBondContact O-N 2.67Å; I502-E505 PolarHBondContact O-N 2.9Å; I502-F506 HydrophobicContact CD1-CD1 4.26Å; I502-F506 HydrophobicContact CD1-CE1 3.67Å; I502-F506 HydrophobicContact CD1-CZ 3.91Å; I502-F506 HydrophobicContact CG1-CD1 4.34Å; I502-F506 HydrophobicContact CG1-CD2 4.43Å; I502-F506 HydrophobicContact CG1-CE1 3.85Å; I502-F506 HydrophobicContact CG1-CE2 3.95Å; I502-F506 HydrophobicContact CG1-CZ 3.64Å; I502-F506 WeakPolarHBondContact O-CG 3.43Å; I502-F506 PolarHBondContact O-N 3.04Å
503	M	97.4	Very high	97.8	Very high	9 Å²	9	47.8 Å²	47.8	4%	0.044	21%	0.212	C	C	.	.	H	α-helix	trans	-64.4	-41.6	174.5	-69.4	-49.2	-49.2	0	0	111.6	T499 E505 F506 F507 M523 A529 V531	T499-M503 HydrophobicContact CG2-CG 4.37Å; T499-M503 WeakPolarHBondContact O-CB 3.38Å; T499-M503 VanDerWaalsContact O-CG 3.26Å; T499-M503 WeakPolarHBondContact O-CG 3.31Å; T499-M503 PolarHBondContact O-N 2.98Å; M503-E505 VanDerWaalsContact C-N 3.29Å; M503-E505 PolarHBondContact O-N 2.68Å; M503-F506 PolarHBondContact O-N 3Å; M503-F506 HydrophobicContact SD-CD2 4.3Å; M503-F507 HydrophobicContact CB-CE2 4.02Å; M503-F507 HydrophobicContact CB-CZ 4.12Å; M503-F507 HydrophobicContact CE-CD1 4.24Å; M503-F507 HydrophobicContact CE-CE1 3.28Å; M503-F507 HydrophobicContact CE-CE2 4.28Å; M503-F507 HydrophobicContact CE-CZ 3.31Å; M503-F507 WeakPolarHBondContact O-CB 3.44Å; M503-F507 WeakPolarHBondContact O-CD1 3.43Å; M503-F507 WeakPolarHBondContact O-CD2 3.29Å; M503-F507 WeakPolarHBondContact O-CG 3.32Å; M503-F507 PolarHBondContact O-N 2.77Å; M503-M523 HydrophobicContact CE-CE 3.76Å; M503-M523 HydrophobicContact SD-CE 4.06Å; M503-A529 HydrophobicContact CE-CB 4Å; M503-V531 HydrophobicContact CE-CG2 4.06Å; M503-V531 HydrophobicContact CG-CG1 3.91Å; M503-V531 HydrophobicContact CG-CG2 4.02Å; M503-V531 HydrophobicContact SD-CG1 4.33Å; M503-V531 HydrophobicContact SD-CG2 4.23Å
504	E	97.9	Very high	97.7	Very high	86 Å²	86	45.4 Å²	45.4	40%	0.402	20%	0.197	S	C	.	.	H	α-helix	trans	-58.6	-41.9	173.8	179.8	174	-164.3	0	0	111.9	A324 D500 R501 F507 R508	A324-E504 HydrophobicContact CB-CB 4Å; A324-E504 HydrophobicContact CB-CG 3.83Å; D500-E504 WeakPolarHBondContact O-CB 3.31Å; D500-E504 PolarHBondContact O-N 3.39Å; R501-E504 PolarHBondContact O-N 3.41Å; E504-F507 PolarHBondContact O-N 2.91Å; E504-R508 VanDerWaalsContact O-CG 3.29Å; E504-R508 WeakPolarHBondContact O-CG 3.48Å; E504-R508 PolarHBondContact O-N 2.9Å; E504-R508 IonicContact OE1-CZ 3.93Å; E504-R508 IonicContact OE1-NE 2.63Å; E504-R508 PolarHBondContact OE1-NE 3.05Å; E504-R508 IonicContact OE1-NH2 3.29Å; E504-R508 PolarHBondContact OE1-NH2 2.9Å
505	E	98.3	Very high	97.6	Very high	7 Å²	7	53 Å²	53	3%	0.033	23%	0.232	C	C	.	.	H	α-helix	trans	-67.3	-44.8	177.7	-163.2	167.8	132.3	0	0	112.7	V323 A324 Y325 H326 H370 G372 R501 I502 M503 F507 R508 Q509	V323-E505 WeakPolarHBondContact CG1-OE2 3.35Å; A324-E505 HydrophobicContact CB-CB 4.19Å; A324-E505 PolarHBondContact N-OE2 3.44Å; Y325-E505 WeakPolarHBondContact CA-OE2 3.27Å; Y325-E505 WeakPolarHBondContact CB-OE2 3.39Å; Y325-E505 PolarHBondContact N-OE2 3.5Å; H326-E505 IonicContact CE1-OE1 3.62Å; H326-E505 IonicContact CG-OE1 2.7Å; H326-E505 PolarHBondContact N-OE2 2.91Å; H326-E505 IonicContact ND1-OE1 3.71Å; H326-E505 PolarHBondContact ND1-OE1 3.32Å; H326-E505 IonicContact ND1-OE2 2.71Å; H370-E505 IonicContact CE1-OE1 3.47Å; H370-E505 IonicContact ND1-OE1 3.82Å; G372-E505 VanDerWaalsContact CA-OE1 3.25Å; G372-E505 WeakPolarHBondContact CA-OE1 3.43Å; R501-E505 PolarHBondContact O-N 3.41Å; I502-E505 PolarHBondContact O-N 2.9Å; M503-E505 VanDerWaalsContact C-N 3.29Å; M503-E505 PolarHBondContact O-N 2.68Å; E505-F507 VanDerWaalsContact C-N 3.31Å; E505-F507 PolarHBondContact O-N 2.88Å; E505-R508 WeakPolarHBondContact O-CB 3.03Å; E505-R508 PolarHBondContact O-N 3.3Å; E505-R508 VanDerWaalsContact O-N 3.13Å; E505-Q509 PolarHBondContact O-N 3.41Å
506	F	97.5	Very high	97.5	Very high	72 Å²	72	59.8 Å²	59.8	32%	0.316	26%	0.258	S	S	.	.	H	α-helix	trans	-58.6	-43	174.4	-72.1	-6.4	0	0	0	111.6	I502 M503 R508 Q509 G510 M523 C524	I502-F506 HydrophobicContact CD1-CD1 4.26Å; I502-F506 HydrophobicContact CD1-CE1 3.67Å; I502-F506 HydrophobicContact CD1-CZ 3.91Å; I502-F506 HydrophobicContact CG1-CD1 4.34Å; I502-F506 HydrophobicContact CG1-CD2 4.43Å; I502-F506 HydrophobicContact CG1-CE1 3.85Å; I502-F506 HydrophobicContact CG1-CE2 3.95Å; I502-F506 HydrophobicContact CG1-CZ 3.64Å; I502-F506 WeakPolarHBondContact O-CG 3.43Å; I502-F506 PolarHBondContact O-N 3.04Å; M503-F506 PolarHBondContact O-N 3Å; M503-F506 HydrophobicContact SD-CD2 4.3Å; F506-R508 VanDerWaalsContact C-N 3.32Å; F506-R508 PolarHBondContact O-N 3.44Å; F506-Q509 WeakPolarHBondContact O-CB 3.39Å; F506-Q509 PolarHBondContact O-N 3.23Å; F506-G510 PolarHBondContact O-N 3.37Å; F506-M523 HydrophobicContact CD2-CB 4.18Å; F506-C524 WeakPolarHBondContact O-CA 3.4Å; F506-C524 VanDerWaalsContact O-CB 3.27Å; F506-C524 WeakPolarHBondContact O-CB 3.49Å
507	F	97.4	Very high	97.4	Very high	46 Å²	46	57.5 Å²	57.5	20%	0.202	27%	0.272	C	S	.	.	H	α-helix	trans	-64.6	-36.4	176.8	-60.4	-23.6	0	0	0	112.4	M503 E504 E505 G510 D511 M523 K526 A529	M503-F507 HydrophobicContact CB-CE2 4.02Å; M503-F507 HydrophobicContact CB-CZ 4.12Å; M503-F507 HydrophobicContact CE-CD1 4.24Å; M503-F507 HydrophobicContact CE-CE1 3.28Å; M503-F507 HydrophobicContact CE-CE2 4.28Å; M503-F507 HydrophobicContact CE-CZ 3.31Å; M503-F507 WeakPolarHBondContact O-CB 3.44Å; M503-F507 WeakPolarHBondContact O-CD1 3.43Å; M503-F507 WeakPolarHBondContact O-CD2 3.29Å; M503-F507 WeakPolarHBondContact O-CG 3.32Å; M503-F507 PolarHBondContact O-N 2.77Å; E504-F507 PolarHBondContact O-N 2.91Å; E505-F507 VanDerWaalsContact C-N 3.31Å; E505-F507 PolarHBondContact O-N 2.88Å; F507-G510 PolarHBondContact O-N 3.47Å; F507-D511 VanDerWaalsContact O-CG 3.32Å; F507-D511 PolarHBondContact O-N 2.96Å; F507-M523 WeakPolarHBondContact CE1-O 3.14Å; F507-K526 HydrophobicContact CB-CB 4.49Å; F507-K526 HydrophobicContact CD1-CB 3.88Å; F507-K526 HydrophobicContact CD2-CB 3.87Å; F507-K526 VanDerWaalsContact CE1-CA 3.48Å; F507-K526 HydrophobicContact CE1-CB 4Å; F507-K526 HydrophobicContact CE2-CB 3.99Å; F507-K526 HydrophobicContact CG-CB 3.81Å; F507-K526 HydrophobicContact CZ-CB 4.04Å; F507-A529 HydrophobicContact CE1-CB 3.73Å; F507-A529 HydrophobicContact CZ-CB 4.1Å
508	R	97.3	Very high	97.2	Very high	92 Å²	92	56.7 Å²	56.7	35%	0.347	27%	0.268	S	S	.	.	H	α-helix	trans	-67.2	-36.8	173.8	-71.6	171.1	-177.6	-166.1	3.1	112	D322 E504 E505 F506 D511 R512	D322-R508 PolarHBondContact O-NH1 3.37Å; E504-R508 VanDerWaalsContact O-CG 3.29Å; E504-R508 WeakPolarHBondContact O-CG 3.48Å; E504-R508 PolarHBondContact O-N 2.9Å; E504-R508 IonicContact OE1-CZ 3.93Å; E504-R508 IonicContact OE1-NE 2.63Å; E504-R508 PolarHBondContact OE1-NE 3.05Å; E504-R508 IonicContact OE1-NH2 3.29Å; E504-R508 PolarHBondContact OE1-NH2 2.9Å; E505-R508 WeakPolarHBondContact O-CB 3.03Å; E505-R508 PolarHBondContact O-N 3.3Å; E505-R508 VanDerWaalsContact O-N 3.13Å; F506-R508 VanDerWaalsContact C-N 3.32Å; F506-R508 PolarHBondContact O-N 3.44Å; R508-D511 PolarHBondContact O-N 3.42Å; R508-R512 WeakPolarHBondContact O-CG 3.31Å; R508-R512 PolarHBondContact O-N 2.92Å; R508-R512 VanDerWaalsContact O-N 3.15Å
509	Q	97.5	Very high	97.1	Very high	12 Å²	12	65.4 Å²	65.4	6%	0.056	31%	0.309	C	S	.	.	H	α-helix	trans	-62.1	-46.7	170.6	-178.8	179.4	-58.2	0	0	110.7	V373 F377 E505 F506 D511 R512 E513	V373-Q509 VanDerWaalsContact CA-OE1 3.28Å; V373-Q509 HydrophobicContact CB-CG 4.36Å; V373-Q509 HydrophobicContact CG1-CB 4.16Å; V373-Q509 HydrophobicContact CG1-CG 3.95Å; F377-Q509 HydrophobicContact CD2-CG 3.9Å; F377-Q509 HydrophobicContact CE2-CG 4.43Å; F377-Q509 HydrophobicContact CG-CG 4.32Å; E505-Q509 PolarHBondContact O-N 3.41Å; F506-Q509 WeakPolarHBondContact O-CB 3.39Å; F506-Q509 PolarHBondContact O-N 3.23Å; Q509-D511 VanDerWaalsContact C-N 3.31Å; Q509-D511 PolarHBondContact O-N 3.03Å; Q509-R512 CarbonylContact O-C 3.58Å; Q509-R512 WeakPolarHBondContact O-CA 3.26Å; Q509-R512 WeakPolarHBondContact O-CB 3.4Å; Q509-R512 PolarHBondContact O-N 3.37Å; Q509-E513 HydrophobicContact CG-CG 4.41Å; Q509-E513 PolarHBondContact NE2-OE1 2.85Å; Q509-E513 WeakPolarHBondContact O-CG 3.27Å; Q509-E513 PolarHBondContact O-N 3.13Å
510	G	97.1	Very high	96.9	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-63.3	-34.3	178.7	0	0	0	0	0	113.6	F506 F507 E513 R514 C524	F506-G510 PolarHBondContact O-N 3.37Å; F507-G510 PolarHBondContact O-N 3.47Å; G510-E513 PolarHBondContact O-N 3.13Å; G510-R514 WeakPolarHBondContact O-CB 3.5Å; G510-R514 PolarHBondContact O-N 3.47Å; G510-C524 WeakPolarHBondContact CA-O 3.38Å
511	D	97	Very high	96.7	Very high	52 Å²	52	64 Å²	64	28%	0.278	30%	0.304	S	S	.	.	H	α-helix	trans	-62.1	-43.3	170.8	-73.3	-19.2	0	0	0	110.9	F507 R508 Q509 R514 E515	F507-D511 VanDerWaalsContact O-CG 3.32Å; F507-D511 PolarHBondContact O-N 2.96Å; R508-D511 PolarHBondContact O-N 3.42Å; Q509-D511 VanDerWaalsContact C-N 3.31Å; Q509-D511 PolarHBondContact O-N 3.03Å; D511-R514 PolarHBondContact O-N 3.01Å; D511-R514 IonicContact OD1-CZ 3.5Å; D511-R514 IonicContact OD1-NH1 2.76Å; D511-R514 PolarHBondContact OD1-NH1 3.45Å; D511-R514 IonicContact OD1-NH2 3.79Å; D511-E515 VanDerWaalsContact O-CG 3.32Å; D511-E515 WeakPolarHBondContact O-CG 3.43Å; D511-E515 PolarHBondContact O-N 3.2Å
512	R	96.8	Very high	96.3	Very high	80 Å²	80	65.4 Å²	65.4	30%	0.302	32%	0.321	S	S	.	.	H	α-helix	trans	-65.3	-38.3	174.8	-65.9	174.1	-173.6	-175.1	5.1	112.7	P371 F377 R508 Q509 R516	P371-R512 PolarHBondContact O-NH1 3.26Å; F377-R512 HydrophobicContact CE2-CB 4.09Å; F377-R512 HydrophobicContact CZ-CB 3.95Å; R508-R512 WeakPolarHBondContact O-CG 3.31Å; R508-R512 PolarHBondContact O-N 2.92Å; R508-R512 VanDerWaalsContact O-N 3.15Å; Q509-R512 CarbonylContact O-C 3.58Å; Q509-R512 WeakPolarHBondContact O-CA 3.26Å; Q509-R512 WeakPolarHBondContact O-CB 3.4Å; Q509-R512 PolarHBondContact O-N 3.37Å; R512-R516 VanDerWaalsContact O-CG 3.28Å; R512-R516 WeakPolarHBondContact O-CG 3.15Å; R512-R516 PolarHBondContact O-N 2.99Å
513	E	97.6	Very high	95.9	Very high	1 Å²	1	66.4 Å²	66.4	1%	0.005	33%	0.326	C	S	.	.	H	α-helix	trans	-64	-45.9	175.4	-71.2	168	165.4	0	0	110.7	F377 Q509 G510 E515 R516 G517 M518 I520 S521	F377-E513 HydrophobicContact CD2-CG 3.63Å; F377-E513 HydrophobicContact CE2-CG 3.64Å; Q509-E513 HydrophobicContact CG-CG 4.41Å; Q509-E513 PolarHBondContact NE2-OE1 2.85Å; Q509-E513 WeakPolarHBondContact O-CG 3.27Å; Q509-E513 PolarHBondContact O-N 3.13Å; G510-E513 PolarHBondContact O-N 3.13Å; E513-E515 PolarHBondContact O-N 3.22Å; E513-R516 CarbonylContact O-C 3.56Å; E513-R516 PolarHBondContact O-N 3.03Å; E513-R516 VanDerWaalsContact O-N 3.12Å; E513-G517 PolarHBondContact O-N 3.13Å; E513-G517 VanDerWaalsContact O-N 3.14Å; E513-M518 HydrophobicContact CB-CB 4.2Å; E513-M518 PolarHBondContact O-N 3.17Å; E513-I520 WeakPolarHBondContact OE2-CA 3.39Å; E513-S521 WeakPolarHBondContact OE1-CB 3.49Å; E513-S521 PolarHBondContact OE1-OG 2.8Å; E513-S521 PolarHBondContact OE2-N 3.17Å
514	R	95.7	Very high	95.6	Very high	102 Å²	102	66.3 Å²	66.3	39%	0.385	33%	0.326	S	S	.	.	H	α-helix	trans	-59.7	-44.9	176.3	-169	-174.6	-59.9	118.3	1.4	111.9	G510 D511 R516 G517 I520 D525	G510-R514 WeakPolarHBondContact O-CB 3.5Å; G510-R514 PolarHBondContact O-N 3.47Å; D511-R514 PolarHBondContact O-N 3.01Å; D511-R514 IonicContact OD1-CZ 3.5Å; D511-R514 IonicContact OD1-NH1 2.76Å; D511-R514 PolarHBondContact OD1-NH1 3.45Å; D511-R514 IonicContact OD1-NH2 3.79Å; R514-R516 PolarHBondContact O-N 2.76Å; R514-G517 PolarHBondContact O-N 3.43Å; R514-I520 HydrophobicContact CB-CD1 4.2Å; R514-I520 HydrophobicContact CB-CG1 4.47Å; R514-I520 HydrophobicContact CG-CD1 4.46Å; R514-D525 IonicContact NH2-OD1 3.32Å; R514-D525 PolarHBondContact NH2-OD1 2.83Å; R514-D525 IonicContact NH2-OD2 3.44Å
515	E	96.4	Very high	95.4	Very high	166 Å²	166	64.1 Å²	64.1	78%	0.776	32%	0.317	S	S	*	.	H	α-helix	trans	-61.9	-30.8	176.8	-75.5	173.9	-176.9	0	0	113	D511 E513	D511-E515 VanDerWaalsContact O-CG 3.32Å; D511-E515 WeakPolarHBondContact O-CG 3.43Å; D511-E515 PolarHBondContact O-N 3.2Å; E513-E515 PolarHBondContact O-N 3.22Å
516	R	96	Very high	94.9	Very high	144 Å²	144	68.9 Å²	68.9	54%	0.543	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-1.4	178.8	-68.5	175.2	-175.9	-158.2	-1.1	113.7	T381 R512 E513 R514 M518	T381-R516 PolarHBondContact OG1-NH1 3.06Å; R512-R516 VanDerWaalsContact O-CG 3.28Å; R512-R516 WeakPolarHBondContact O-CG 3.15Å; R512-R516 PolarHBondContact O-N 2.99Å; E513-R516 CarbonylContact O-C 3.56Å; E513-R516 PolarHBondContact O-N 3.03Å; E513-R516 VanDerWaalsContact O-N 3.12Å; R514-R516 PolarHBondContact O-N 2.76Å; R516-M518 HydrophobicContact CB-CG 4Å; R516-M518 HydrophobicContact CB-SD 3.97Å; R516-M518 PolarHBondContact O-N 3.33Å
517	G	95.6	Very high	94.5	Very high	72 Å²	72	72.5 Å²	72.5	74%	0.742	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	26.2	-175.9	0	0	0	0	0	113.4	E513 R514	E513-G517 PolarHBondContact O-N 3.13Å; E513-G517 VanDerWaalsContact O-N 3.14Å; R514-G517 PolarHBondContact O-N 3.43Å
518	M	95.8	Very high	94	Very high	48 Å²	48	77.1 Å²	77.1	24%	0.236	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-85.9	156.9	173.9	-63.9	170.5	59.9	0	0	110	F377 N380 T381 E513 R516 I520	F377-M518 HydrophobicContact CD2-CE 4.5Å; N380-M518 HydrophobicContact CB-CE 3.62Å; T381-M518 HydrophobicContact CG2-CE 3.9Å; T381-M518 HydrophobicContact CG2-SD 3.48Å; T381-M518 WeakPolarHBondContact CG2-SD 3.22Å; E513-M518 HydrophobicContact CB-CB 4.2Å; E513-M518 PolarHBondContact O-N 3.17Å; R516-M518 HydrophobicContact CB-CG 4Å; R516-M518 HydrophobicContact CB-SD 3.97Å; R516-M518 PolarHBondContact O-N 3.33Å; M518-I520 PolarHBondContact O-N 2.82Å
519	E	94.8	Very high	93.5	Very high	183 Å²	183	74 Å²	74	86%	0.855	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-61.3	131.2	164.5	-174	170.3	-168.9	0	0	108.9	S521	E519-S521 PolarHBondContact O-N 3.44Å
520	I	94.8	Very high	93.2	Very high	47 Å²	47	75.3 Å²	75.3	24%	0.241	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-73.3	125.6	-178.6	-58.1	174.7	0	0	0	107.7	E513 R514 M518 C524 D525	E513-I520 WeakPolarHBondContact OE2-CA 3.39Å; R514-I520 HydrophobicContact CB-CD1 4.2Å; R514-I520 HydrophobicContact CB-CG1 4.47Å; R514-I520 HydrophobicContact CG-CD1 4.46Å; M518-I520 PolarHBondContact O-N 2.82Å; I520-C524 HydrophobicContact CG2-CB 3.92Å; I520-D525 HydrophobicContact CG2-CB 3.97Å
521	S	93.7	Very high	93	Very high	33 Å²	33	76.9 Å²	76.9	23%	0.231	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-57.4	149.5	179.1	-70.2	0	0	0	0	110.9	E513 E519 M523 C524	E513-S521 WeakPolarHBondContact OE1-CB 3.49Å; E513-S521 PolarHBondContact OE1-OG 2.8Å; E513-S521 PolarHBondContact OE2-N 3.17Å; E519-S521 PolarHBondContact O-N 3.44Å; S521-M523 PolarHBondContact O-N 3.29Å; S521-C524 VanDerWaalsContact O-CB 3.31Å; S521-C524 WeakPolarHBondContact O-CB 3.38Å; S521-C524 PolarHBondContact O-N 3.12Å
522	P	90	Very high	92.8	Very high	95 Å²	95	77.1 Å²	77.1	62%	0.617	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.5	142.2	172.1	-26.6	34.9	0	0	0	111.4	C524	P522-C524 PolarHBondContact O-N 2.82Å
523	M	88.7	Confident	92.7	Very high	48 Å²	48	78.7 Å²	78.7	24%	0.236	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.4	-7.2	-176.2	-60	-56.1	-66.4	0	0	117.2	M503 F506 F507 S521 A529 S534	M503-M523 HydrophobicContact CE-CE 3.76Å; M503-M523 HydrophobicContact SD-CE 4.06Å; F506-M523 HydrophobicContact CD2-CB 4.18Å; F507-M523 WeakPolarHBondContact CE1-O 3.14Å; S521-M523 PolarHBondContact O-N 3.29Å; M523-A529 HydrophobicContact CE-CB 3.92Å; M523-A529 HydrophobicContact SD-CB 4.29Å; M523-S534 WeakPolarHBondContact CE-OG 3.34Å; M523-S534 PolarHBondContact SD-OG 3.3Å
524	C	92.7	Very high	92.5	Very high	6 Å²	6	80.3 Å²	80.3	4%	0.041	42%	0.416	C	S	.	.			trans	-86.5	-5.4	-179.8	-62.4	0	0	0	0	113.4	F506 G510 I520 S521 P522	F506-C524 WeakPolarHBondContact O-CA 3.4Å; F506-C524 VanDerWaalsContact O-CB 3.27Å; F506-C524 WeakPolarHBondContact O-CB 3.49Å; G510-C524 WeakPolarHBondContact CA-O 3.38Å; I520-C524 HydrophobicContact CG2-CB 3.92Å; S521-C524 VanDerWaalsContact O-CB 3.31Å; S521-C524 WeakPolarHBondContact O-CB 3.38Å; S521-C524 PolarHBondContact O-N 3.12Å; P522-C524 PolarHBondContact O-N 2.82Å
525	D	91.9	Very high	92.5	Very high	40 Å²	40	76.3 Å²	76.3	21%	0.214	40%	0.401	C	S	.	.			trans	-99.4	110.6	172.5	-162.3	-17.1	0	0	0	112.4	R514 I520 H527 N528 A529	R514-D525 IonicContact NH2-OD1 3.32Å; R514-D525 PolarHBondContact NH2-OD1 2.83Å; R514-D525 IonicContact NH2-OD2 3.44Å; I520-D525 HydrophobicContact CG2-CB 3.97Å; D525-H527 PolarHBondContact O-N 3.37Å; D525-H527 WeakPolarHBondContact OD1-CB 3.31Å; D525-H527 IonicContact OD1-CD2 3.7Å; D525-H527 PolarHBondContact OD1-CD2 3.49Å; D525-H527 IonicContact OD1-CG 3.51Å; D525-H527 PolarHBondContact OD1-N 3Å; D525-N528 HydrophobicContact CB-CB 4.39Å; D525-N528 PolarHBondContact O-N 3.1Å; D525-A529 VanDerWaalsContact O-CB 3.3Å; D525-A529 WeakPolarHBondContact O-CB 3.24Å; D525-A529 PolarHBondContact O-N 2.77Å
526	K	88.9	Confident	92.6	Very high	107 Å²	107	68.8 Å²	68.8	47%	0.465	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-20.3	174.8	71.2	-171.5	173.1	-155.9	0	114.7	F507	F507-K526 HydrophobicContact CB-CB 4.49Å; F507-K526 HydrophobicContact CD1-CB 3.88Å; F507-K526 HydrophobicContact CD2-CB 3.87Å; F507-K526 VanDerWaalsContact CE1-CA 3.48Å; F507-K526 HydrophobicContact CE1-CB 4Å; F507-K526 HydrophobicContact CE2-CB 3.99Å; F507-K526 HydrophobicContact CG-CB 3.81Å; F507-K526 HydrophobicContact CZ-CB 4.04Å
527	H	88.3	Confident	92.5	Very high	149 Å²	149	62.9 Å²	62.9	69%	0.69	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-17.6	-179.5	-60.9	-62	0	0	0	113.6	D525	D525-H527 PolarHBondContact O-N 3.37Å; D525-H527 WeakPolarHBondContact OD1-CB 3.31Å; D525-H527 IonicContact OD1-CD2 3.7Å; D525-H527 PolarHBondContact OD1-CD2 3.49Å; D525-H527 IonicContact OD1-CG 3.51Å; D525-H527 PolarHBondContact OD1-N 3Å
528	N	87	Confident	92.6	Very high	143 Å²	143	62.9 Å²	62.9	77%	0.765	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125	-11	-175.4	-166.8	40.4	0	0	0	113.4	D525 S530	D525-N528 HydrophobicContact CB-CB 4.39Å; D525-N528 PolarHBondContact O-N 3.1Å; N528-S530 PolarHBondContact O-N 2.81Å
529	A	86.7	Confident	92.7	Very high	25 Å²	25	60.6 Å²	60.6	21%	0.207	32%	0.319	C	S	.	.			trans	-67	127.7	-179.2	0	0	0	0	0	112	M503 F507 M523 D525	M503-A529 HydrophobicContact CE-CB 4Å; F507-A529 HydrophobicContact CE1-CB 3.73Å; F507-A529 HydrophobicContact CZ-CB 4.1Å; M523-A529 HydrophobicContact CE-CB 3.92Å; M523-A529 HydrophobicContact SD-CB 4.29Å; D525-A529 VanDerWaalsContact O-CB 3.3Å; D525-A529 WeakPolarHBondContact O-CB 3.24Å; D525-A529 PolarHBondContact O-N 2.77Å
530	S	91	Very high	92.8	Very high	40 Å²	40	54.5 Å²	54.5	28%	0.28	29%	0.293	S	S	.	.			trans	-100.4	85.3	170.3	-171.6	0	0	0	0	109.2	N528 E532 K533 S534	N528-S530 PolarHBondContact O-N 2.81Å; S530-E532 VanDerWaalsContact C-N 3.33Å; S530-E532 PolarHBondContact O-N 3.15Å; S530-K533 PolarHBondContact O-N 2.91Å; S530-K533 WeakPolarHBondContact OG-CB 3.48Å; S530-K533 WeakPolarHBondContact OG-CD 3.47Å; S530-K533 WeakPolarHBondContact OG-CG 3.48Å; S530-S534 WeakPolarHBondContact O-CB 3.38Å; S530-S534 PolarHBondContact O-N 3.38Å; S530-S534 PolarHBondContact O-OG 3.28Å
531	V	92.9	Very high	92.8	Very high	33 Å²	33	59.1 Å²	59.1	20%	0.2	31%	0.308	C	S	.	.	H	α-helix	trans	-52.7	-50.5	-172.8	-179.2	0	0	0	0	111.6	T499 M503 S534 Q535	T499-V531 HydrophobicContact CG2-CG1 3.73Å; M503-V531 HydrophobicContact CE-CG2 4.06Å; M503-V531 HydrophobicContact CG-CG1 3.91Å; M503-V531 HydrophobicContact CG-CG2 4.02Å; M503-V531 HydrophobicContact SD-CG1 4.33Å; M503-V531 HydrophobicContact SD-CG2 4.23Å; V531-S534 PolarHBondContact O-N 2.88Å; V531-Q535 WeakPolarHBondContact O-CG 3.16Å; V531-Q535 PolarHBondContact O-N 3.05Å
532	E	94.1	Very high	93	Very high	58 Å²	58	59.6 Å²	59.6	27%	0.271	31%	0.308	S	S	.	.	H	α-helix	trans	-67.2	-45.3	-173.3	-56.8	77.1	-171.1	0	0	111.9	S530 S534 Q535 V536 Y572 T575 I576	S530-E532 VanDerWaalsContact C-N 3.33Å; S530-E532 PolarHBondContact O-N 3.15Å; E532-S534 VanDerWaalsContact C-N 3.27Å; E532-S534 PolarHBondContact O-N 3.22Å; E532-Q535 PolarHBondContact O-N 3.26Å; E532-V536 WeakPolarHBondContact O-CG2 2.75Å; E532-V536 PolarHBondContact O-N 2.91Å; E532-Y572 HydrophobicContact CB-CD1 4.28Å; E532-Y572 HydrophobicContact CG-CD1 4.33Å; E532-T575 WeakPolarHBondContact CG-OG1 3.35Å; E532-I576 HydrophobicContact CB-CG1 3.67Å
533	K	93.4	Very high	93.4	Very high	112 Å²	112	55.1 Å²	55.1	49%	0.487	28%	0.278	S	S	.	.	H	α-helix	trans	-62	-38.3	176	-70	-174.3	-178.4	179	0	111.5	S530 V536 G537 I576	S530-K533 PolarHBondContact O-N 2.91Å; S530-K533 WeakPolarHBondContact OG-CB 3.48Å; S530-K533 WeakPolarHBondContact OG-CD 3.47Å; S530-K533 WeakPolarHBondContact OG-CG 3.48Å; K533-V536 PolarHBondContact O-N 2.86Å; K533-G537 PolarHBondContact O-N 3.33Å; K533-I576 HydrophobicContact CD-CG2 4.42Å; K533-I576 HydrophobicContact CG-CD1 3.86Å; K533-I576 HydrophobicContact CG-CG1 4Å; K533-I576 HydrophobicContact CG-CG2 3.9Å
534	S	93.7	Very high	93.8	Very high	36 Å²	36	55.1 Å²	55.1	25%	0.252	28%	0.278	S	S	.	.	H	α-helix	trans	-70.5	-35.7	178.6	-63.5	0	0	0	0	112.8	M523 S530 V531 E532 F538	M523-S534 WeakPolarHBondContact CE-OG 3.34Å; M523-S534 PolarHBondContact SD-OG 3.3Å; S530-S534 WeakPolarHBondContact O-CB 3.38Å; S530-S534 PolarHBondContact O-N 3.38Å; S530-S534 PolarHBondContact O-OG 3.28Å; V531-S534 PolarHBondContact O-N 2.88Å; E532-S534 VanDerWaalsContact C-N 3.27Å; E532-S534 PolarHBondContact O-N 3.22Å; S534-F538 WeakPolarHBondContact O-CB 3.48Å; S534-F538 PolarHBondContact O-N 3.06Å
535	Q	97	Very high	94	Very high	17 Å²	17	56.2 Å²	56.2	8%	0.079	29%	0.285	C	S	.	.	H	α-helix	trans	-65.5	-42.1	172.1	-66.9	-44.3	-64.1	0	0	111.5	Y495 T499 V531 E532 F538 I539 Y572	Y495-Q535 PolarHBondContact OH-OE1 3.41Å; T499-Q535 HydrophobicContact CG2-CG 3.8Å; V531-Q535 WeakPolarHBondContact O-CG 3.16Å; V531-Q535 PolarHBondContact O-N 3.05Å; E532-Q535 PolarHBondContact O-N 3.26Å; Q535-F538 PolarHBondContact O-N 3.32Å; Q535-I539 VanDerWaalsContact O-CG1 3.29Å; Q535-I539 WeakPolarHBondContact O-CG1 3.37Å; Q535-I539 PolarHBondContact O-N 2.99Å; Q535-Y572 HydrophobicContact CB-CD1 3.78Å; Q535-Y572 HydrophobicContact CB-CD2 4.21Å; Q535-Y572 HydrophobicContact CB-CE1 4.04Å; Q535-Y572 HydrophobicContact CB-CE2 4.5Å; Q535-Y572 HydrophobicContact CB-CG 3.86Å; Q535-Y572 HydrophobicContact CG-CD1 3.96Å; Q535-Y572 HydrophobicContact CG-CE1 3.69Å; Q535-Y572 HydrophobicContact CG-CE2 4.46Å; Q535-Y572 HydrophobicContact CG-CG 4.41Å
536	V	97	Very high	94.3	Very high	8 Å²	8	54.3 Å²	54.3	5%	0.048	28%	0.275	C	S	.	.	H	α-helix	trans	-60.8	-50.8	174.7	174.9	0	0	0	0	111	E532 K533 F538 I539 D540 Q573 I576	E532-V536 WeakPolarHBondContact O-CG2 2.75Å; E532-V536 PolarHBondContact O-N 2.91Å; K533-V536 PolarHBondContact O-N 2.86Å; V536-F538 VanDerWaalsContact C-N 3.31Å; V536-F538 PolarHBondContact O-N 3.02Å; V536-I539 PolarHBondContact O-N 3.15Å; V536-I539 VanDerWaalsContact O-N 3.16Å; V536-D540 WeakPolarHBondContact CG1-OD2 3.48Å; V536-D540 VanDerWaalsContact O-CG 3.26Å; V536-D540 PolarHBondContact O-N 3.35Å; V536-Q573 HydrophobicContact CG2-CB 3.96Å; V536-I576 HydrophobicContact CG2-CD1 4.15Å
537	G	95.1	Very high	94.8	Very high	21 Å²	21	49.2 Å²	49.2	22%	0.216	25%	0.252	C	S	.	.	H	α-helix	trans	-62.3	-37.5	178.2	0	0	0	0	0	113	K533 I539 Y541	K533-G537 PolarHBondContact O-N 3.33Å; G537-I539 VanDerWaalsContact C-N 3.34Å; G537-Y541 WeakPolarHBondContact O-CB 3.43Å; G537-Y541 WeakPolarHBondContact O-CD2 3.39Å; G537-Y541 PolarHBondContact O-N 3.33Å
538	F	97.1	Very high	95.2	Very high	71 Å²	71	46.2 Å²	46.2	31%	0.311	24%	0.239	S	C	.	.	H	α-helix	trans	-64.1	-40.2	175.2	179.3	-122.6	0	0	0	112	L485 P488 S534 Q535 V536 I542 V543	L485-F538 HydrophobicContact CD2-CZ 4.08Å; P488-F538 HydrophobicContact CG-CD1 4.34Å; P488-F538 HydrophobicContact CG-CE1 4.09Å; S534-F538 WeakPolarHBondContact O-CB 3.48Å; S534-F538 PolarHBondContact O-N 3.06Å; Q535-F538 PolarHBondContact O-N 3.32Å; V536-F538 VanDerWaalsContact C-N 3.31Å; V536-F538 PolarHBondContact O-N 3.02Å; F538-I542 HydrophobicContact CD2-CB 4.01Å; F538-I542 HydrophobicContact CD2-CG1 4.15Å; F538-I542 HydrophobicContact CD2-CG2 4.37Å; F538-I542 HydrophobicContact CE2-CB 4.02Å; F538-I542 HydrophobicContact CE2-CG1 4.4Å; F538-I542 HydrophobicContact CE2-CG2 3.87Å; F538-I542 WeakPolarHBondContact O-CB 3.01Å; F538-I542 PolarHBondContact O-N 3.5Å; F538-V543 HydrophobicContact CD1-CG2 3.74Å; F538-V543 HydrophobicContact CD2-CG2 4.32Å; F538-V543 HydrophobicContact CE1-CG2 3.34Å; F538-V543 HydrophobicContact CE2-CG2 3.97Å; F538-V543 HydrophobicContact CG-CG2 4.22Å; F538-V543 HydrophobicContact CZ-CG2 3.47Å; F538-V543 VanDerWaalsContact CZ-CG2 3.47Å; F538-V543 PolarHBondContact O-N 3.32Å; F538-V543 VanDerWaalsContact O-N 3.12Å
539	I	98.1	Very high	95.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.204	C	C	.	.	I	π-helix	trans	-64.9	-55.6	174.3	-65.9	166.4	0	0	0	110.3	P488 Y495 Q535 V536 G537 Y541 V543 H544 L565 R569	P488-I539 HydrophobicContact CB-CD1 4.13Å; P488-I539 HydrophobicContact CB-CG1 3.92Å; P488-I539 HydrophobicContact CG-CG1 4.44Å; Y495-I539 HydrophobicContact CE1-CD1 4.24Å; Q535-I539 VanDerWaalsContact O-CG1 3.29Å; Q535-I539 WeakPolarHBondContact O-CG1 3.37Å; Q535-I539 PolarHBondContact O-N 2.99Å; V536-I539 PolarHBondContact O-N 3.15Å; V536-I539 VanDerWaalsContact O-N 3.16Å; G537-I539 VanDerWaalsContact C-N 3.34Å; I539-Y541 VanDerWaalsContact C-N 3.33Å; I539-Y541 PolarHBondContact O-N 2.74Å; I539-V543 PolarHBondContact O-N 2.97Å; I539-H544 HydrophobicContact CG2-CB 4.04Å; I539-H544 VanDerWaalsContact O-CB 3.24Å; I539-H544 WeakPolarHBondContact O-CB 3.3Å; I539-H544 PolarHBondContact O-N 2.88Å; I539-L565 HydrophobicContact CD1-CD1 4.31Å; I539-L565 HydrophobicContact CG1-CD1 4.1Å; I539-L565 HydrophobicContact CG2-CD1 3.76Å; I539-L565 HydrophobicContact CG2-CD2 4.48Å; I539-L565 HydrophobicContact CG2-CG 4.07Å; I539-R569 HydrophobicContact CB-CG 4.11Å; I539-R569 HydrophobicContact CD1-CB 3.81Å; I539-R569 HydrophobicContact CD1-CG 4.13Å; I539-R569 HydrophobicContact CG2-CB 3.96Å; I539-R569 HydrophobicContact CG2-CG 3.72Å
540	D	97.4	Very high	96.1	Very high	56 Å²	56	38.5 Å²	38.5	30%	0.299	19%	0.194	S	C	.	.	I	π-helix	trans	-60.9	-38.9	-172.4	-66.4	-7.7	0	0	0	112.7	V536 R569	V536-D540 WeakPolarHBondContact CG1-OD2 3.48Å; V536-D540 VanDerWaalsContact O-CG 3.26Å; V536-D540 PolarHBondContact O-N 3.35Å; D540-R569 IonicContact OD1-CZ 3.38Å; D540-R569 IonicContact OD1-NE 3.92Å; D540-R569 PolarHBondContact OD1-NE 3.45Å; D540-R569 IonicContact OD1-NH2 2.78Å; D540-R569 PolarHBondContact OD1-NH2 3.44Å; D540-R569 IonicContact OD2-CZ 3.64Å; D540-R569 IonicContact OD2-NE 3.67Å; D540-R569 IonicContact OD2-NH2 2.76Å; D540-R569 PolarHBondContact OD2-NH2 2.72Å
541	Y	95	Very high	96.4	Very high	143 Å²	143	36.9 Å²	36.9	56%	0.561	18%	0.183	S	C	*	.	I	π-helix	trans	-99.5	-18.2	-171.6	-58.8	-54.8	0	0	0	115.1	F17 G537 I539	F17-Y541 HydrophobicContact CZ-CD2 4.35Å; F17-Y541 HydrophobicContact CZ-CG 4.48Å; G537-Y541 WeakPolarHBondContact O-CB 3.43Å; G537-Y541 WeakPolarHBondContact O-CD2 3.39Å; G537-Y541 PolarHBondContact O-N 3.33Å; I539-Y541 VanDerWaalsContact C-N 3.33Å; I539-Y541 PolarHBondContact O-N 2.74Å
542	I	96.6	Very high	96.4	Very high	44 Å²	44	39 Å²	39	23%	0.226	19%	0.194	C	C	.	.	I	π-helix	trans	-128.7	-57.9	-172.6	-55.1	-66.2	0	0	0	111.4	H442 M443 L485 F538 L546	H442-I542 PolarHBondContact CE1-O 3.03Å; M443-I542 HydrophobicContact CE-CD1 4.17Å; L485-I542 HydrophobicContact CD1-CG2 4.04Å; F538-I542 HydrophobicContact CD2-CB 4.01Å; F538-I542 HydrophobicContact CD2-CG1 4.15Å; F538-I542 HydrophobicContact CD2-CG2 4.37Å; F538-I542 HydrophobicContact CE2-CB 4.02Å; F538-I542 HydrophobicContact CE2-CG1 4.4Å; F538-I542 HydrophobicContact CE2-CG2 3.87Å; F538-I542 WeakPolarHBondContact O-CB 3.01Å; F538-I542 PolarHBondContact O-N 3.5Å; I542-L546 WeakPolarHBondContact O-CB 3.4Å; I542-L546 PolarHBondContact O-N 3.44Å
543	V	98.1	Very high	96.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.182	C	C	.	.	I	π-helix	trans	-78.5	-44.2	-168.4	-177.9	0	0	0	0	111.8	P488 T489 F538 I539 L546 W547 L565	P488-V543 HydrophobicContact CB-CG1 4.16Å; P488-V543 HydrophobicContact CG-CG1 4.08Å; P488-V543 HydrophobicContact CG-CG2 4.18Å; T489-V543 HydrophobicContact CG2-CG1 4.5Å; F538-V543 HydrophobicContact CD1-CG2 3.74Å; F538-V543 HydrophobicContact CD2-CG2 4.32Å; F538-V543 HydrophobicContact CE1-CG2 3.34Å; F538-V543 HydrophobicContact CE2-CG2 3.97Å; F538-V543 HydrophobicContact CG-CG2 4.22Å; F538-V543 HydrophobicContact CZ-CG2 3.47Å; F538-V543 VanDerWaalsContact CZ-CG2 3.47Å; F538-V543 PolarHBondContact O-N 3.32Å; F538-V543 VanDerWaalsContact O-N 3.12Å; I539-V543 PolarHBondContact O-N 2.97Å; V543-L546 PolarHBondContact O-N 3.5Å; V543-W547 VanDerWaalsContact CG1-CD1 3.47Å; V543-W547 VanDerWaalsContact O-CD1 3.32Å; V543-W547 PolarHBondContact O-N 2.93Å; V543-L565 HydrophobicContact CG1-CD1 3.98Å; V543-L565 HydrophobicContact CG1-CD2 4.21Å
544	H	97.6	Very high	96.4	Very high	49 Å²	49	31.3 Å²	31.3	23%	0.227	16%	0.159	C	C	.	.	H	α-helix	trans	-63	-51.5	179.2	-172.5	-68	0	0	0	112.1	I539 L546 W547 E548 L565 E566	I539-H544 HydrophobicContact CG2-CB 4.04Å; I539-H544 VanDerWaalsContact O-CB 3.24Å; I539-H544 WeakPolarHBondContact O-CB 3.3Å; I539-H544 PolarHBondContact O-N 2.88Å; H544-L546 PolarHBondContact O-N 3.02Å; H544-W547 PolarHBondContact O-N 2.92Å; H544-E548 IonicContact CE1-OE2 3.65Å; H544-E548 IonicContact ND1-OE2 3.18Å; H544-E548 WeakPolarHBondContact O-CB 3.42Å; H544-E548 PolarHBondContact O-N 3.03Å; H544-L565 HydrophobicContact CB-CD2 4.08Å; H544-E566 IonicContact CD2-OE2 3.65Å
545	P	97.7	Very high	96.3	Very high	28 Å²	28	35.3 Å²	35.3	18%	0.182	17%	0.174	C	C	.	.	H	α-helix	trans	-57.8	-35.5	178.3	-25.8	35.7	0	0	0	113.6	L446 T549	L446-P545 HydrophobicContact CD2-CB 4.11Å; P545-T549 WeakPolarHBondContact O-CB 3.39Å; P545-T549 PolarHBondContact O-N 3.01Å; P545-T549 VanDerWaalsContact O-N 3.16Å; P545-T549 PolarHBondContact O-OG1 2.96Å
546	L	97.7	Very high	96.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-67	-53.6	176.3	176	63.8	0	0	0	112.2	L449 L485 I542 V543 H544 E548 T549 W550	L449-L546 HydrophobicContact CD2-CD1 4.29Å; L485-L546 HydrophobicContact CB-CD2 4.19Å; L485-L546 HydrophobicContact CD1-CD2 3.85Å; I542-L546 WeakPolarHBondContact O-CB 3.4Å; I542-L546 PolarHBondContact O-N 3.44Å; V543-L546 PolarHBondContact O-N 3.5Å; H544-L546 PolarHBondContact O-N 3.02Å; L546-E548 VanDerWaalsContact C-N 3.32Å; L546-E548 PolarHBondContact O-N 3.28Å; L546-T549 PolarHBondContact O-N 2.99Å; L546-W550 WeakPolarHBondContact O-CB 3.46Å; L546-W550 PolarHBondContact O-N 3.4Å
547	W	98.4	Very high	95.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-69.5	-31.4	-177.1	-82.9	101	0	0	0	112.5	W268 L341 C482 L485 T489 V543 H544 W550 A551 I561 L562 L565	W268-W547 AromaticContact CH2-CH2 3.56Å; W268-W547 HydrophobicContact CH2-CH2 3.56Å; W268-W547 AromaticContact CH2-CZ2 3.99Å; W268-W547 HydrophobicContact CH2-CZ2 3.99Å; W268-W547 AromaticContact CZ2-CH2 3.68Å; W268-W547 HydrophobicContact CZ2-CH2 3.68Å; W268-W547 AromaticContact CZ2-CZ2 3.9Å; W268-W547 HydrophobicContact CZ2-CZ2 3.9Å; L341-W547 HydrophobicContact CD1-CH2 4.17Å; L341-W547 HydrophobicContact CD2-CH2 4.04Å; L341-W547 HydrophobicContact CD2-CZ3 4.08Å; C482-W547 HydrophobicContact CB-CH2 4.03Å; C482-W547 HydrophobicContact CB-CZ2 3.88Å; C482-W547 HydrophobicContact CB-CZ3 4.44Å; C482-W547 WeakPolarHBondContact O-CZ2 3.27Å; L485-W547 PolarHBondContact O-NE1 2.91Å; L485-W547 VanDerWaalsContact O-NE1 3.08Å; T489-W547 HydrophobicContact CG2-CD2 3.9Å; T489-W547 HydrophobicContact CG2-CG 3.87Å; T489-W547 HydrophobicContact CG2-CZ2 4.2Å; V543-W547 VanDerWaalsContact CG1-CD1 3.47Å; V543-W547 VanDerWaalsContact O-CD1 3.32Å; V543-W547 PolarHBondContact O-N 2.93Å; H544-W547 PolarHBondContact O-N 2.92Å; W547-W550 HydrophobicContact CE3-CB 4.5Å; W547-W550 AromaticContact CE3-CD1 3.81Å; W547-W550 HydrophobicContact CE3-CG 4.33Å; W547-W550 AromaticContact CZ3-CD1 3.72Å; W547-W550 HydrophobicContact CZ3-CG 4.43Å; W547-W550 PolarHBondContact O-N 3.38Å; W547-A551 VanDerWaalsContact O-CB 3.25Å; W547-A551 WeakPolarHBondContact O-CB 3.4Å; W547-A551 PolarHBondContact O-N 3.06Å; W547-I561 HydrophobicContact CD2-CG2 4.04Å; W547-I561 HydrophobicContact CE3-CG2 3.62Å; W547-I561 HydrophobicContact CH2-CD1 4.21Å; W547-I561 HydrophobicContact CH2-CG2 4.06Å; W547-I561 HydrophobicContact CZ2-CG2 4.44Å; W547-I561 HydrophobicContact CZ3-CD1 3.79Å; W547-I561 HydrophobicContact CZ3-CG2 3.66Å; W547-L562 HydrophobicContact CB-CD2 3.88Å; W547-L565 HydrophobicContact CB-CD2 4.15Å
548	E	97.4	Very high	95.9	Very high	87 Å²	87	39.9 Å²	39.9	41%	0.407	20%	0.199	S	C	.	.	H	α-helix	trans	-61.4	-52.5	171.7	-179.9	178.1	-147.1	0	0	110.2	H544 L546 W550 A551 D552	H544-E548 IonicContact CE1-OE2 3.65Å; H544-E548 IonicContact ND1-OE2 3.18Å; H544-E548 WeakPolarHBondContact O-CB 3.42Å; H544-E548 PolarHBondContact O-N 3.03Å; L546-E548 VanDerWaalsContact C-N 3.32Å; L546-E548 PolarHBondContact O-N 3.28Å; E548-W550 VanDerWaalsContact C-N 3.3Å; E548-W550 PolarHBondContact O-N 2.84Å; E548-A551 PolarHBondContact O-N 2.96Å; E548-A551 VanDerWaalsContact O-N 3.15Å; E548-D552 PolarHBondContact O-N 3.11Å
549	T	95.5	Very high	95.9	Very high	5 Å²	5	40.4 Å²	40.4	3%	0.031	20%	0.202	C	C	.	.	H	α-helix	trans	-63.1	-37.6	178.1	-49.6	0	0	0	0	111.6	L446 L449 K450 V453 P545 L546 D552 L553	L446-T549 HydrophobicContact CD1-CG2 4.42Å; L446-T549 WeakPolarHBondContact CD1-OG1 3.32Å; L449-T549 HydrophobicContact CB-CG2 4.1Å; L449-T549 HydrophobicContact CD2-CG2 3.84Å; L449-T549 HydrophobicContact CG-CG2 3.69Å; K450-T549 HydrophobicContact CB-CG2 4.29Å; K450-T549 HydrophobicContact CG-CG2 3.53Å; V453-T549 HydrophobicContact CG2-CG2 3.96Å; V453-T549 WeakPolarHBondContact CG2-O 3.3Å; P545-T549 WeakPolarHBondContact O-CB 3.39Å; P545-T549 PolarHBondContact O-N 3.01Å; P545-T549 VanDerWaalsContact O-N 3.16Å; P545-T549 PolarHBondContact O-OG1 2.96Å; L546-T549 PolarHBondContact O-N 2.99Å; T549-D552 PolarHBondContact O-N 3.44Å; T549-L553 PolarHBondContact O-N 3.03Å; T549-L553 VanDerWaalsContact O-N 3.12Å
550	W	97.3	Very high	95.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-63.1	-46.4	173.8	176.9	-94.2	0	0	0	111.6	L341 L347 L449 V475 M479 L546 W547 E548 D552 L553 V554	L341-W550 HydrophobicContact CB-CZ2 4.26Å; L341-W550 HydrophobicContact CD2-CZ2 4.24Å; L347-W550 HydrophobicContact CD1-CH2 4.09Å; L347-W550 HydrophobicContact CD1-CZ2 4.17Å; L449-W550 HydrophobicContact CD2-CB 4.41Å; V475-W550 HydrophobicContact CG1-CH2 4.16Å; V475-W550 HydrophobicContact CG1-CZ3 4.09Å; M479-W550 HydrophobicContact CB-CH2 3.64Å; M479-W550 HydrophobicContact CB-CZ3 3.89Å; M479-W550 HydrophobicContact CE-CH2 3.65Å; M479-W550 HydrophobicContact CE-CZ2 4.18Å; M479-W550 HydrophobicContact CG-CH2 3.83Å; M479-W550 HydrophobicContact CG-CZ2 4.32Å; L546-W550 WeakPolarHBondContact O-CB 3.46Å; L546-W550 PolarHBondContact O-N 3.4Å; W547-W550 HydrophobicContact CE3-CB 4.5Å; W547-W550 AromaticContact CE3-CD1 3.81Å; W547-W550 HydrophobicContact CE3-CG 4.33Å; W547-W550 AromaticContact CZ3-CD1 3.72Å; W547-W550 HydrophobicContact CZ3-CG 4.43Å; W547-W550 PolarHBondContact O-N 3.38Å; E548-W550 VanDerWaalsContact C-N 3.3Å; E548-W550 PolarHBondContact O-N 2.84Å; W550-D552 VanDerWaalsContact C-N 3.31Å; W550-D552 PolarHBondContact O-N 3.37Å; W550-L553 WeakPolarHBondContact O-CB 3.06Å; W550-L553 PolarHBondContact O-N 2.92Å; W550-L553 VanDerWaalsContact O-N 3.08Å; W550-V554 HydrophobicContact CZ2-CG1 4.27Å; W550-V554 WeakPolarHBondContact O-CG2 3.4Å; W550-V554 PolarHBondContact O-N 3.42Å; W550-V554 VanDerWaalsContact O-N 3.12Å
551	A	96.5	Very high	95.8	Very high	6 Å²	6	44.4 Å²	44.4	5%	0.05	22%	0.223	C	C	.	.	H	α-helix	trans	-64.1	-36.3	178.6	0	0	0	0	0	112.1	W547 E548 L553 V554 H555 A558 L562	W547-A551 VanDerWaalsContact O-CB 3.25Å; W547-A551 WeakPolarHBondContact O-CB 3.4Å; W547-A551 PolarHBondContact O-N 3.06Å; E548-A551 PolarHBondContact O-N 2.96Å; E548-A551 VanDerWaalsContact O-N 3.15Å; A551-L553 VanDerWaalsContact C-N 3.3Å; A551-L553 PolarHBondContact O-N 3.29Å; A551-V554 CarbonylContact O-C 3.5Å; A551-V554 PolarHBondContact O-N 2.93Å; A551-H555 VanDerWaalsContact O-CA 3.23Å; A551-H555 WeakPolarHBondContact O-CA 3.29Å; A551-H555 WeakPolarHBondContact O-CB 3.41Å; A551-H555 PolarHBondContact O-N 2.91Å; A551-A558 HydrophobicContact CB-CB 3.97Å; A551-L562 HydrophobicContact CB-CD1 3.38Å; A551-L562 HydrophobicContact CB-CG 3.93Å
552	D	94.5	Very high	96	Very high	79 Å²	79	38.7 Å²	38.7	42%	0.422	20%	0.202	S	C	.	.	H	α-helix	trans	-62.1	-38.1	171.6	-77.5	-21.3	0	0	0	111.9	V453 K456 E548 T549 W550	V453-D552 HydrophobicContact CG1-CB 3.84Å; V453-D552 HydrophobicContact CG2-CB 4.27Å; K456-D552 PolarHBondContact NZ-O 2.95Å; E548-D552 PolarHBondContact O-N 3.11Å; T549-D552 PolarHBondContact O-N 3.44Å; W550-D552 VanDerWaalsContact C-N 3.31Å; W550-D552 PolarHBondContact O-N 3.37Å
553	L	92.7	Very high	96.1	Very high	6 Å²	6	40.3 Å²	40.3	3%	0.031	21%	0.211	C	C	.	.	H	α-helix	trans	-63.8	-45.6	177.3	-174.3	65.3	0	0	0	111.6	L449 M452 V453 K456 L464 V475 T549 W550 A551	L449-L553 HydrophobicContact CD1-CD2 3.77Å; M452-L553 HydrophobicContact CG-CD1 4.18Å; M452-L553 HydrophobicContact SD-CD1 4.36Å; M452-L553 HydrophobicContact SD-CD2 4.33Å; V453-L553 HydrophobicContact CG2-CB 3.81Å; V453-L553 HydrophobicContact CG2-CD1 4.13Å; K456-L553 HydrophobicContact CB-CD1 4.46Å; K456-L553 HydrophobicContact CD-CD1 4.47Å; L464-L553 HydrophobicContact CD1-CD1 4.04Å; L464-L553 HydrophobicContact CD2-CD1 3.84Å; L464-L553 HydrophobicContact CD2-CD2 4.2Å; L464-L553 HydrophobicContact CD2-CG 4Å; V475-L553 HydrophobicContact CG1-CD2 4.43Å; V475-L553 HydrophobicContact CG2-CD2 4.2Å; T549-L553 PolarHBondContact O-N 3.03Å; T549-L553 VanDerWaalsContact O-N 3.12Å; W550-L553 WeakPolarHBondContact O-CB 3.06Å; W550-L553 PolarHBondContact O-N 2.92Å; W550-L553 VanDerWaalsContact O-N 3.08Å; A551-L553 VanDerWaalsContact C-N 3.3Å; A551-L553 PolarHBondContact O-N 3.29Å
554	V	94.7	Very high	96.1	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.006	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	18.6	-173.8	-56.3	0	0	0	0	114.2	T344 A346 L347 W550 A551 D557 A558	T344-V554 HydrophobicContact CG2-CB 3.76Å; T344-V554 HydrophobicContact CG2-CG1 4.07Å; T344-V554 HydrophobicContact CG2-CG2 4.07Å; A346-V554 HydrophobicContact CB-CB 3.98Å; A346-V554 HydrophobicContact CB-CG1 4.36Å; L347-V554 HydrophobicContact CD1-CG1 4.13Å; L347-V554 HydrophobicContact CD2-CG1 4.32Å; L347-V554 HydrophobicContact CG-CG1 4.12Å; W550-V554 HydrophobicContact CZ2-CG1 4.27Å; W550-V554 WeakPolarHBondContact O-CG2 3.4Å; W550-V554 PolarHBondContact O-N 3.42Å; W550-V554 VanDerWaalsContact O-N 3.12Å; A551-V554 CarbonylContact O-C 3.5Å; A551-V554 PolarHBondContact O-N 2.93Å; V554-D557 WeakPolarHBondContact O-CB 3.27Å; V554-D557 PolarHBondContact O-N 2.94Å; V554-A558 HydrophobicContact CG2-CB 3.79Å
555	H	90.9	Very high	96.1	Very high	121 Å²	121	39.9 Å²	39.9	56%	0.56	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.6	131.5	-176.9	179.8	86.5	0	0	0	111.3	A551	A551-H555 VanDerWaalsContact O-CA 3.23Å; A551-H555 WeakPolarHBondContact O-CA 3.29Å; A551-H555 WeakPolarHBondContact O-CB 3.41Å; A551-H555 PolarHBondContact O-N 2.91Å
556	P	93.2	Very high	96.2	Very high	81 Å²	81	41.8 Å²	41.8	53%	0.526	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	cis	-98.1	8.3	11	38.5	-36.2	0	0	0	115.6	A558 Q559	P556-A558 VanDerWaalsContact C-N 3.35Å; P556-A558 PolarHBondContact O-N 2.78Å; P556-Q559 PolarHBondContact O-N 2.9Å
557	D	92.4	Very high	96.2	Very high	58 Å²	58	46.9 Å²	46.9	31%	0.31	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-24.2	-158.4	-63.3	-38.7	0	0	0	115.4	T344 P345 A346 V554	T344-D557 HydrophobicContact CG2-CB 3.57Å; T344-D557 VanDerWaalsContact CG2-OD2 3.22Å; T344-D557 WeakPolarHBondContact CG2-OD2 3.27Å; P345-D557 WeakPolarHBondContact CD-OD2 3.42Å; A346-D557 WeakPolarHBondContact CB-OD2 3.38Å; A346-D557 PolarHBondContact N-OD2 3.38Å; V554-D557 WeakPolarHBondContact O-CB 3.27Å; V554-D557 PolarHBondContact O-N 2.94Å
558	A	94.8	Very high	96.2	Very high	3 Å²	3	47.1 Å²	47.1	3%	0.025	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	12	-176.1	0	0	0	0	0	114	A551 V554 P556 D560 I561 L562	A551-A558 HydrophobicContact CB-CB 3.97Å; V554-A558 HydrophobicContact CG2-CB 3.79Å; P556-A558 VanDerWaalsContact C-N 3.35Å; P556-A558 PolarHBondContact O-N 2.78Å; A558-D560 PolarHBondContact O-N 2.89Å; A558-I561 HydrophobicContact CB-CD1 4.41Å; A558-I561 WeakPolarHBondContact O-CB 3.32Å; A558-I561 PolarHBondContact O-N 3.16Å; A558-I561 VanDerWaalsContact O-N 3.16Å; A558-L562 PolarHBondContact O-N 3.08Å
559	Q	96.5	Very high	96.2	Very high	81 Å²	81	45.3 Å²	45.3	38%	0.379	24%	0.237	S	C	.	.	H	α-helix	trans	-60.8	-43.5	-177.7	-170.5	62	52.6	0	0	112.5	P556 I561 L562 D563	P556-Q559 PolarHBondContact O-N 2.9Å; Q559-I561 PolarHBondContact O-N 3.03Å; Q559-I561 VanDerWaalsContact O-N 3.15Å; Q559-L562 WeakPolarHBondContact O-CB 3.35Å; Q559-L562 PolarHBondContact O-N 2.96Å; Q559-D563 PolarHBondContact NE2-OD1 3.37Å; Q559-D563 PolarHBondContact O-N 3.28Å
560	D	96.9	Very high	96.4	Very high	124 Å²	124	50.4 Å²	50.4	66%	0.663	26%	0.26	S	S	*	.	H	α-helix	trans	-59.8	-29.3	178.7	-65.9	-21.6	0	0	0	112.6	A558 T564	A558-D560 PolarHBondContact O-N 2.89Å; D560-T564 WeakPolarHBondContact O-CB 3.47Å; D560-T564 PolarHBondContact O-N 3.01Å; D560-T564 VanDerWaalsContact O-N 3.13Å; D560-T564 PolarHBondContact O-OG1 3.48Å
561	I	98.2	Very high	96.4	Very high	16 Å²	16	54 Å²	54	8%	0.082	27%	0.274	C	S	.	.	H	α-helix	trans	-71.5	-43.1	177.3	-60.1	-178.7	0	0	0	110.1	W268 L341 T489 W547 A558 Q559 T564 L565	W268-I561 HydrophobicContact CD2-CD1 4.03Å; W268-I561 HydrophobicContact CD2-CG1 4.36Å; W268-I561 HydrophobicContact CE3-CD1 4.34Å; W268-I561 HydrophobicContact CG-CD1 4.4Å; W268-I561 HydrophobicContact CG-CG1 4.29Å; W268-I561 HydrophobicContact CZ2-CD1 4.24Å; W268-I561 HydrophobicContact CZ2-CG2 4.38Å; L341-I561 HydrophobicContact CD2-CD1 4.4Å; T489-I561 VanDerWaalsContact CB-CG2 3.4Å; T489-I561 HydrophobicContact CG2-CG2 3.75Å; W547-I561 HydrophobicContact CD2-CG2 4.04Å; W547-I561 HydrophobicContact CE3-CG2 3.62Å; W547-I561 HydrophobicContact CH2-CD1 4.21Å; W547-I561 HydrophobicContact CH2-CG2 4.06Å; W547-I561 HydrophobicContact CZ2-CG2 4.44Å; W547-I561 HydrophobicContact CZ3-CD1 3.79Å; W547-I561 HydrophobicContact CZ3-CG2 3.66Å; A558-I561 HydrophobicContact CB-CD1 4.41Å; A558-I561 WeakPolarHBondContact O-CB 3.32Å; A558-I561 PolarHBondContact O-N 3.16Å; A558-I561 VanDerWaalsContact O-N 3.16Å; Q559-I561 PolarHBondContact O-N 3.03Å; Q559-I561 VanDerWaalsContact O-N 3.15Å; I561-T564 PolarHBondContact O-N 3.28Å; I561-L565 WeakPolarHBondContact O-CB 3.32Å; I561-L565 PolarHBondContact O-N 3.36Å
562	L	97.9	Very high	96.4	Very high	23 Å²	23	54.2 Å²	54.2	12%	0.12	27%	0.274	C	S	.	.	H	α-helix	trans	-65.5	-44	175	-77.7	-178.9	0	0	0	112.1	W547 A551 A558 Q559 T564 L565 E566	W547-L562 HydrophobicContact CB-CD2 3.88Å; A551-L562 HydrophobicContact CB-CD1 3.38Å; A551-L562 HydrophobicContact CB-CG 3.93Å; A558-L562 PolarHBondContact O-N 3.08Å; Q559-L562 WeakPolarHBondContact O-CB 3.35Å; Q559-L562 PolarHBondContact O-N 2.96Å; L562-T564 VanDerWaalsContact C-N 3.28Å; L562-T564 PolarHBondContact O-N 3.39Å; L562-L565 HydrophobicContact CD2-CD2 4.44Å; L562-L565 WeakPolarHBondContact O-CB 3.46Å; L562-L565 PolarHBondContact O-N 3.09Å; L562-L565 VanDerWaalsContact O-N 3.09Å; L562-E566 PolarHBondContact O-N 2.84Å
563	D	98.2	Very high	96.5	Very high	78 Å²	78	54.6 Å²	54.6	42%	0.417	27%	0.273	S	S	.	.	H	α-helix	trans	-60	-42.9	178.4	-65	-3.9	0	0	0	110.4	Q559 L565 E566 D567	Q559-D563 PolarHBondContact NE2-OD1 3.37Å; Q559-D563 PolarHBondContact O-N 3.28Å; D563-L565 PolarHBondContact O-N 3.13Å; D563-E566 PolarHBondContact O-N 3.34Å; D563-D567 PolarHBondContact O-N 3.48Å
564	T	98.4	Very high	96.7	Very high	40 Å²	40	58.6 Å²	58.6	25%	0.245	30%	0.301	C	S	.	.	H	α-helix	trans	-65.4	-37	175.3	-56.1	0	0	0	0	112.4	T489 D560 I561 L562 N568	T489-T564 VanDerWaalsContact O-CG2 3.31Å; T489-T564 WeakPolarHBondContact O-CG2 3.38Å; D560-T564 WeakPolarHBondContact O-CB 3.47Å; D560-T564 PolarHBondContact O-N 3.01Å; D560-T564 VanDerWaalsContact O-N 3.13Å; D560-T564 PolarHBondContact O-OG1 3.48Å; I561-T564 PolarHBondContact O-N 3.28Å; L562-T564 VanDerWaalsContact C-N 3.28Å; L562-T564 PolarHBondContact O-N 3.39Å; T564-N568 WeakPolarHBondContact O-CB 3.41Å; T564-N568 PolarHBondContact O-N 3.21Å; T564-N568 PolarHBondContact O-ND2 3.42Å
565	L	98.6	Very high	96.6	Very high	0 Å²	0	61 Å²	61	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-62.3	-46.2	176.7	179	59.4	0	0	0	111.1	P488 T489 I539 V543 H544 W547 I561 L562 D563 N568 R569	P488-L565 HydrophobicContact CB-CD1 3.57Å; T489-L565 HydrophobicContact CG2-CB 4.15Å; T489-L565 HydrophobicContact CG2-CD1 4.12Å; T489-L565 HydrophobicContact CG2-CD2 4.31Å; T489-L565 HydrophobicContact CG2-CG 4.43Å; I539-L565 HydrophobicContact CD1-CD1 4.31Å; I539-L565 HydrophobicContact CG1-CD1 4.1Å; I539-L565 HydrophobicContact CG2-CD1 3.76Å; I539-L565 HydrophobicContact CG2-CD2 4.48Å; I539-L565 HydrophobicContact CG2-CG 4.07Å; V543-L565 HydrophobicContact CG1-CD1 3.98Å; V543-L565 HydrophobicContact CG1-CD2 4.21Å; H544-L565 HydrophobicContact CB-CD2 4.08Å; W547-L565 HydrophobicContact CB-CD2 4.15Å; I561-L565 WeakPolarHBondContact O-CB 3.32Å; I561-L565 PolarHBondContact O-N 3.36Å; L562-L565 HydrophobicContact CD2-CD2 4.44Å; L562-L565 WeakPolarHBondContact O-CB 3.46Å; L562-L565 PolarHBondContact O-N 3.09Å; L562-L565 VanDerWaalsContact O-N 3.09Å; D563-L565 PolarHBondContact O-N 3.13Å; L565-N568 PolarHBondContact O-N 3.49Å; L565-R569 WeakPolarHBondContact O-CB 3.46Å; L565-R569 PolarHBondContact O-N 3.38Å
566	E	98.4	Very high	96.7	Very high	68 Å²	68	56.6 Å²	56.6	32%	0.318	30%	0.296	S	S	.	.	H	α-helix	trans	-65.9	-46.1	179.4	-169.3	57	-153.5	0	0	111.3	H544 L562 D563 N568 R569 E570	H544-E566 IonicContact CD2-OE2 3.65Å; L562-E566 PolarHBondContact O-N 2.84Å; D563-E566 PolarHBondContact O-N 3.34Å; E566-N568 VanDerWaalsContact C-N 3.28Å; E566-N568 PolarHBondContact O-N 2.95Å; E566-R569 WeakPolarHBondContact O-CB 3.45Å; E566-R569 PolarHBondContact O-N 3.3Å; E566-R569 VanDerWaalsContact O-N 3.08Å; E566-E570 WeakPolarHBondContact O-CG 3.39Å; E566-E570 PolarHBondContact O-N 3.42Å
567	D	98.5	Very high	96.3	Very high	107 Å²	107	57 Å²	57	57%	0.572	30%	0.299	S	S	*	.	H	α-helix	trans	-55	-44	174.6	-80.4	-12.2	0	0	0	111.8	D563 W571	D563-D567 PolarHBondContact O-N 3.48Å; D567-W571 WeakPolarHBondContact O-CB 3.5Å; D567-W571 PolarHBondContact O-N 3.35Å
568	N	98.5	Very high	95.3	Very high	6 Å²	6	63 Å²	63	3%	0.032	33%	0.325	C	S	.	.	H	α-helix	trans	-68.6	-38.5	178.3	-76.6	-23.1	0	0	0	112.1	P488 K490 L492 Y495 T564 L565 E566 W571 Y572	P488-N568 PolarHBondContact O-ND2 2.71Å; K490-N568 PolarHBondContact O-ND2 3.15Å; L492-N568 WeakPolarHBondContact CA-OD1 3.44Å; L492-N568 WeakPolarHBondContact CB-OD1 3.38Å; L492-N568 WeakPolarHBondContact CD1-OD1 3.25Å; Y495-N568 HydrophobicContact CD1-CB 3.87Å; Y495-N568 HydrophobicContact CE1-CB 4.04Å; T564-N568 WeakPolarHBondContact O-CB 3.41Å; T564-N568 PolarHBondContact O-N 3.21Å; T564-N568 PolarHBondContact O-ND2 3.42Å; L565-N568 PolarHBondContact O-N 3.49Å; E566-N568 VanDerWaalsContact C-N 3.28Å; E566-N568 PolarHBondContact O-N 2.95Å; N568-W571 WeakPolarHBondContact O-CB 3.34Å; N568-W571 PolarHBondContact O-N 2.94Å; N568-Y572 WeakPolarHBondContact O-CD2 3.41Å; N568-Y572 PolarHBondContact O-N 3.34Å
569	R	98.3	Very high	93.5	Very high	49 Å²	49	67.5 Å²	67.5	19%	0.185	36%	0.356	C	S	.	.	H	α-helix	trans	-62.6	-48.6	176.3	-172.7	-98	176.4	-137.2	-4.5	111	I539 D540 L565 E566 W571 Y572 Q573	I539-R569 HydrophobicContact CB-CG 4.11Å; I539-R569 HydrophobicContact CD1-CB 3.81Å; I539-R569 HydrophobicContact CD1-CG 4.13Å; I539-R569 HydrophobicContact CG2-CB 3.96Å; I539-R569 HydrophobicContact CG2-CG 3.72Å; D540-R569 IonicContact OD1-CZ 3.38Å; D540-R569 IonicContact OD1-NE 3.92Å; D540-R569 PolarHBondContact OD1-NE 3.45Å; D540-R569 IonicContact OD1-NH2 2.78Å; D540-R569 PolarHBondContact OD1-NH2 3.44Å; D540-R569 IonicContact OD2-CZ 3.64Å; D540-R569 IonicContact OD2-NE 3.67Å; D540-R569 IonicContact OD2-NH2 2.76Å; D540-R569 PolarHBondContact OD2-NH2 2.72Å; L565-R569 WeakPolarHBondContact O-CB 3.46Å; L565-R569 PolarHBondContact O-N 3.38Å; E566-R569 WeakPolarHBondContact O-CB 3.45Å; E566-R569 PolarHBondContact O-N 3.3Å; E566-R569 VanDerWaalsContact O-N 3.08Å; R569-W571 VanDerWaalsContact C-N 3.31Å; R569-W571 PolarHBondContact O-N 3.34Å; R569-Y572 PolarHBondContact O-N 3.34Å; R569-Q573 WeakPolarHBondContact O-CB 3.44Å; R569-Q573 PolarHBondContact O-N 2.97Å
570	E	98	Very high	91.2	Very high	112 Å²	112	69.5 Å²	69.5	52%	0.523	38%	0.376	S	S	.	.	H	α-helix	trans	-59.1	-42.3	173.6	-71.3	-168.8	164.7	0	0	111.8	E566 Q573 S574	E566-E570 WeakPolarHBondContact O-CG 3.39Å; E566-E570 PolarHBondContact O-N 3.42Å; E570-Q573 PolarHBondContact O-N 2.86Å; E570-S574 WeakPolarHBondContact O-CB 3.42Å; E570-S574 PolarHBondContact O-N 3.48Å
571	W	98.1	Very high	88.5	Confident	76 Å²	76	68.7 Å²	68.7	29%	0.288	38%	0.38	S	S	.	.	H	α-helix	trans	-59	-51.7	176.6	-175.1	87.5	0	0	0	111.5	L492 R496 D567 N568 R569 Q573 S574 T575	L492-W571 HydrophobicContact CD1-CB 4.4Å; L492-W571 HydrophobicContact CD1-CD2 3.74Å; L492-W571 HydrophobicContact CD1-CE3 3.67Å; L492-W571 HydrophobicContact CD1-CG 4.05Å; L492-W571 HydrophobicContact CD1-CZ3 4.27Å; L492-W571 HydrophobicContact CD2-CB 4.43Å; L492-W571 HydrophobicContact CD2-CD2 3.78Å; L492-W571 HydrophobicContact CD2-CG 3.68Å; L492-W571 HydrophobicContact CG-CD2 4.35Å; R496-W571 HydrophobicContact CG-CH2 4.15Å; R496-W571 HydrophobicContact CG-CZ3 4.12Å; D567-W571 WeakPolarHBondContact O-CB 3.5Å; D567-W571 PolarHBondContact O-N 3.35Å; N568-W571 WeakPolarHBondContact O-CB 3.34Å; N568-W571 PolarHBondContact O-N 2.94Å; R569-W571 VanDerWaalsContact C-N 3.31Å; R569-W571 PolarHBondContact O-N 3.34Å; W571-Q573 VanDerWaalsContact C-N 3.34Å; W571-Q573 PolarHBondContact O-N 3.06Å; W571-S574 PolarHBondContact O-N 2.74Å; W571-S574 VanDerWaalsContact O-N 3.14Å; W571-S574 PolarHBondContact O-OG 3.07Å; W571-T575 HydrophobicContact CD2-CG2 4.16Å; W571-T575 HydrophobicContact CE3-CG2 4.26Å; W571-T575 HydrophobicContact CH2-CG2 3.94Å; W571-T575 HydrophobicContact CZ2-CG2 3.84Å; W571-T575 HydrophobicContact CZ3-CG2 4.16Å; W571-T575 WeakPolarHBondContact O-CG2 3.4Å; W571-T575 PolarHBondContact O-N 2.88Å
572	Y	97.1	Very high	85.9	Confident	10 Å²	10	73.7 Å²	73.7	4%	0.039	41%	0.414	C	S	.	.	H	α-helix	trans	-61.2	-42.5	177.9	-90.2	-77	0	0	0	111.9	Y495 T499 E532 Q535 N568 R569 S574 T575 I576	Y495-Y572 HydrophobicContact CD1-CD2 4.28Å; Y495-Y572 AromaticContact CD1-CE2 3.62Å; Y495-Y572 HydrophobicContact CD1-CE2 3.62Å; Y495-Y572 AromaticContact CE1-CD2 3.6Å; Y495-Y572 HydrophobicContact CE1-CD2 3.6Å; Y495-Y572 AromaticContact CE1-CE2 3.22Å; Y495-Y572 HydrophobicContact CE1-CE2 3.22Å; Y495-Y572 HydrophobicContact CG-CE2 4.44Å; Y495-Y572 AromaticContact CZ-CE2 3.73Å; T499-Y572 VanDerWaalsContact CB-OH 3.3Å; T499-Y572 WeakPolarHBondContact CB-OH 3.33Å; T499-Y572 HydrophobicContact CG2-CE1 4.35Å; T499-Y572 PolarHBondContact OG1-OH 3.18Å; E532-Y572 HydrophobicContact CB-CD1 4.28Å; E532-Y572 HydrophobicContact CG-CD1 4.33Å; Q535-Y572 HydrophobicContact CB-CD1 3.78Å; Q535-Y572 HydrophobicContact CB-CD2 4.21Å; Q535-Y572 HydrophobicContact CB-CE1 4.04Å; Q535-Y572 HydrophobicContact CB-CE2 4.5Å; Q535-Y572 HydrophobicContact CB-CG 3.86Å; Q535-Y572 HydrophobicContact CG-CD1 3.96Å; Q535-Y572 HydrophobicContact CG-CE1 3.69Å; Q535-Y572 HydrophobicContact CG-CE2 4.46Å; Q535-Y572 HydrophobicContact CG-CG 4.41Å; N568-Y572 WeakPolarHBondContact O-CD2 3.41Å; N568-Y572 PolarHBondContact O-N 3.34Å; R569-Y572 PolarHBondContact O-N 3.34Å; Y572-S574 VanDerWaalsContact C-N 3.28Å; Y572-S574 PolarHBondContact O-N 2.99Å; Y572-T575 WeakPolarHBondContact CA-OG1 3.47Å; Y572-T575 PolarHBondContact O-N 2.76Å; Y572-T575 PolarHBondContact O-OG1 3.44Å; Y572-I576 PolarHBondContact O-N 3.34Å
573	Q	96.5	Very high	83.6	Confident	86 Å²	86	76.6 Å²	76.6	40%	0.402	44%	0.441	S	S	.	.	H	α-helix	trans	-57.6	-41	175.2	179.3	61.8	53	0	0	111.9	V536 R569 E570 W571 T575 I576	V536-Q573 HydrophobicContact CG2-CB 3.96Å; R569-Q573 WeakPolarHBondContact O-CB 3.44Å; R569-Q573 PolarHBondContact O-N 2.97Å; E570-Q573 PolarHBondContact O-N 2.86Å; W571-Q573 VanDerWaalsContact C-N 3.34Å; W571-Q573 PolarHBondContact O-N 3.06Å; Q573-T575 VanDerWaalsContact C-N 3.27Å; Q573-T575 PolarHBondContact O-N 3.16Å; Q573-I576 PolarHBondContact O-N 3.25Å
574	S	96	Very high	81.5	Confident	91 Å²	91	78.7 Å²	78.7	64%	0.636	46%	0.459	S	S	*	.	H	α-helix	trans	-68.6	-23.8	178.2	81.5	0	0	0	0	113.7	E570 W571 Y572	E570-S574 WeakPolarHBondContact O-CB 3.42Å; E570-S574 PolarHBondContact O-N 3.48Å; W571-S574 PolarHBondContact O-N 2.74Å; W571-S574 VanDerWaalsContact O-N 3.14Å; W571-S574 PolarHBondContact O-OG 3.07Å; Y572-S574 VanDerWaalsContact C-N 3.28Å; Y572-S574 PolarHBondContact O-N 2.99Å
575	T	93.8	Very high	79.1	Confident	50 Å²	50	84.6 Å²	84.6	31%	0.307	49%	0.489	S	S	.	.	H	α-helix	trans	-88.9	-9	-179.7	59.5	0	0	0	0	114.5	E532 W571 Y572 Q573 P577	E532-T575 WeakPolarHBondContact CG-OG1 3.35Å; W571-T575 HydrophobicContact CD2-CG2 4.16Å; W571-T575 HydrophobicContact CE3-CG2 4.26Å; W571-T575 HydrophobicContact CH2-CG2 3.94Å; W571-T575 HydrophobicContact CZ2-CG2 3.84Å; W571-T575 HydrophobicContact CZ3-CG2 4.16Å; W571-T575 WeakPolarHBondContact O-CG2 3.4Å; W571-T575 PolarHBondContact O-N 2.88Å; Y572-T575 WeakPolarHBondContact CA-OG1 3.47Å; Y572-T575 PolarHBondContact O-N 2.76Å; Y572-T575 PolarHBondContact O-OG1 3.44Å; Q573-T575 VanDerWaalsContact C-N 3.27Å; Q573-T575 PolarHBondContact O-N 3.16Å; T575-P577 WeakPolarHBondContact O-CD 3.42Å
576	I	91.5	Very high	76.7	Confident	29 Å²	29	91.8 Å²	91.8	15%	0.149	53%	0.527	C	S	.	.	S	Bend	trans	-59.2	124.2	177.1	-67	166.6	0	0	0	109	E532 K533 V536 Y572 Q573 Q578	E532-I576 HydrophobicContact CB-CG1 3.67Å; K533-I576 HydrophobicContact CD-CG2 4.42Å; K533-I576 HydrophobicContact CG-CD1 3.86Å; K533-I576 HydrophobicContact CG-CG1 4Å; K533-I576 HydrophobicContact CG-CG2 3.9Å; V536-I576 HydrophobicContact CG2-CD1 4.15Å; Y572-I576 PolarHBondContact O-N 3.34Å; Q573-I576 PolarHBondContact O-N 3.25Å; I576-Q578 PolarHBondContact O-N 3.44Å; I576-Q578 VanDerWaalsContact O-N 3.14Å
577	P	85	Confident	74.1	Confident	91 Å²	91	94.2 Å²	94.2	59%	0.591	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-55.6	122.7	177.6	-25.5	33.8	0	0	0	110.8	T575 S579	T575-P577 WeakPolarHBondContact O-CD 3.42Å; P577-S579 PolarHBondContact O-N 3.39Å; P577-S579 VanDerWaalsContact O-N 3.17Å
578	Q	70.8	Confident	71.5	Confident	184 Å²	184	97.5 Å²	97.5	86%	0.86	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-60.4	121.6	170.3	-67.4	-175.9	6.3	0	0	107.6	I576	I576-Q578 PolarHBondContact O-N 3.44Å; I576-Q578 VanDerWaalsContact O-N 3.14Å
579	S	57.5	Low	68.8	Low	96 Å²	96	106.1 Å²	106.1	67%	0.671	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-48.5	133	170.7	-61.7	0	0	0	0	108.3	P577 S581	P577-S579 PolarHBondContact O-N 3.39Å; P577-S579 VanDerWaalsContact O-N 3.17Å; S579-S581 PolarHBondContact O-N 3.18Å
580	P	48.9	Very low	65.7	Low	124 Å²	124	107.6 Å²	107.6	81%	0.805	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-55.4	122.8	177	21	-29.5	0	0	0	108.1
581	S	40.1	Very low	62.9	Low	106 Å²	106	114.1 Å²	114.1	74%	0.741	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-50.7	138.5	174	-68.2	0	0	0	0	109	S579 A583	S579-S581 PolarHBondContact O-N 3.18Å; S581-A583 PolarHBondContact O-N 2.69Å
582	P	43.1	Very low	59.7	Low	121 Å²	121	120.3 Å²	120.3	79%	0.786	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-54.7	134.5	173.6	13.8	-15.9	0	0	0	108.3
583	A	50.5	Low	56.8	Low	84 Å²	84	122.8 Å²	122.8	69%	0.694	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-53.6	139.7	178.1	0	0	0	0	0	109.3	S581 D585	S581-A583 PolarHBondContact O-N 2.69Å; A583-D585 PolarHBondContact O-N 3.29Å
584	P	53.3	Low	53.7	Low	123 Å²	123	128.4 Å²	128.4	80%	0.799	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-59.6	129.5	176.6	24.2	-30.6	0	0	0	108.9	D586	P584-D586 PolarHBondContact O-N 3.14Å
585	D	48.9	Very low	50.7	Low	164 Å²	164	130.4 Å²	130.4	88%	0.877	75%	0.747	S	S	*	*			trans	-54.4	110.8	175.7	-73.9	-45.3	0	0	0	109.5	A583	A583-D585 PolarHBondContact O-N 3.29Å
586	D	47.6	Very low	48	Very low	150 Å²	150	135.9 Å²	135.9	80%	0.802	77%	0.77	S	S	*	*			trans	-64.2	127.3	166.9	-103.8	-34.7	0	0	0	108.1	P584 E588	P584-D586 PolarHBondContact O-N 3.14Å; D586-E588 VanDerWaalsContact C-N 3.26Å; D586-E588 PolarHBondContact O-N 2.88Å
587	P	43.2	Very low	45.4	Very low	119 Å²	119	144.4 Å²	144.4	77%	0.773	81%	0.806	S	S	*	*			trans	-84.7	64.2	-174.4	35.3	-34.9	0	0	0	110.2
588	E	44.9	Very low	42.9	Very low	176 Å²	176	148.5 Å²	148.5	82%	0.822	81%	0.814	S	S	*	*			trans	-148	127.3	173.3	-106.8	173.1	-155.1	0	0	113.8	D586	D586-E588 VanDerWaalsContact C-N 3.26Å; D586-E588 PolarHBondContact O-N 2.88Å
589	E	42	Very low	41	Very low	187 Å²	187	148 Å²	148	87%	0.874	81%	0.812	S	S	*	*			trans	81.7	93.7	166.6	-55.5	-162	157	0	0	119.1
590	G	33.2	Very low	39.7	Very low	80 Å²	80	151.7 Å²	151.7	83%	0.825	82%	0.816	S	S	*	*			trans	-61.8	131.8	172.9	0	0	0	0	0	114.4
591	R	38.2	Very low	38.8	Very low	249 Å²	249	153 Å²	153	94%	0.94	81%	0.812	S	S	*	*			trans	-142.1	132.4	150	-85.2	-169	177.3	-171.5	0.8	110.3
592	Q	31.9	Very low	38.6	Very low	206 Å²	206	154.2 Å²	154.2	96%	0.963	81%	0.809	S	S	*	*			trans	-60	126	176.6	-67	162	-32.5	0	0	110.6
593	G	35.9	Very low	38	Very low	63 Å²	63	154 Å²	154	65%	0.649	81%	0.806	S	S	*	*			trans	-170.1	118.8	170.9	0	0	0	0	0	109.4	T595	G593-T595 PolarHBondContact O-N 3.21Å
594	Q	30.4	Very low	37.3	Very low	203 Å²	203	156.8 Å²	156.8	95%	0.949	81%	0.808	S	S	*	*			trans	-64.2	125.2	-177.8	-69.8	163.9	-41.2	0	0	110.5
595	T	34.5	Very low	36.4	Very low	133 Å²	133	159.6 Å²	159.6	82%	0.816	81%	0.811	S	S	*	*			trans	-130.8	110.4	168.7	-29.1	0	0	0	0	107.9	G593 K597	G593-T595 PolarHBondContact O-N 3.21Å; T595-K597 PolarHBondContact O-N 3.21Å
596	E	36.4	Very low	35.9	Very low	166 Å²	166	160.4 Å²	160.4	78%	0.776	81%	0.809	S	S	*	*			trans	-65.9	116.4	175.4	-68.7	179.5	161	0	0	109.3	F598	E596-F598 PolarHBondContact O-N 3.17Å
597	K	36.7	Very low	35.4	Very low	208 Å²	208	161 Å²	161	90%	0.904	81%	0.813	S	S	*	*			trans	-76.3	105.9	170.3	-85.3	-176.2	171.8	-178.1	0	108.5	T595	T595-K597 PolarHBondContact O-N 3.21Å
598	F	33	Very low	35	Very low	177 Å²	177	158.6 Å²	158.6	78%	0.776	81%	0.809	S	S	*	*			trans	-79.5	113.2	160.9	-85.9	-90.7	0	0	0	108.8	E596	E596-F598 PolarHBondContact O-N 3.17Å
599	Q	29.9	Very low	34.6	Very low	172 Å²	172	159.5 Å²	159.5	80%	0.804	81%	0.813	S	S	*	*			trans	-99.2	117.4	171.8	-173.9	173.2	-3.1	0	0	107.3	E601	Q599-E601 PolarHBondContact O-N 3.14Å
600	F	31.4	Very low	34.4	Very low	175 Å²	175	155.4 Å²	155.4	77%	0.768	81%	0.805	S	S	*	*			trans	-81.6	104.9	172.8	-128.4	-94.7	0	0	0	107.4	L602	F600-L602 HydrophobicContact CD1-CD1 3.86Å; F600-L602 HydrophobicContact CE1-CD1 3.75Å
601	E	29.8	Very low	34.6	Very low	152 Å²	152	159.4 Å²	159.4	71%	0.71	81%	0.808	S	S	*	*			trans	-103.4	106	168.2	-171.3	162.5	-162.9	0	0	106.5	Q599 T603	Q599-E601 PolarHBondContact O-N 3.14Å; E601-T603 PolarHBondContact O-N 3.4Å
602	L	35	Very low	34.8	Very low	130 Å²	130	153.5 Å²	153.5	68%	0.681	80%	0.799	S	S	*	*			trans	-86.4	86.8	176	-143	93.3	0	0	0	107.1	F600 L604	F600-L602 HydrophobicContact CD1-CD1 3.86Å; F600-L602 HydrophobicContact CE1-CD1 3.75Å; L602-L604 HydrophobicContact CD2-CD1 4.08Å; L602-L604 PolarHBondContact O-N 3.32Å
603	T	30.9	Very low	35.1	Very low	118 Å²	118	152.8 Å²	152.8	72%	0.724	80%	0.796	S	S	*	*			trans	-78.1	92.4	166.9	16	0	0	0	0	108.3	E601	E601-T603 PolarHBondContact O-N 3.4Å
604	L	35.9	Very low	35.4	Very low	141 Å²	141	159.5 Å²	159.5	74%	0.738	81%	0.807	S	S	*	*			trans	-85.8	112.6	157.2	-90.3	160.6	0	0	0	106.8	L602 E606	L602-L604 HydrophobicContact CD2-CD1 4.08Å; L602-L604 PolarHBondContact O-N 3.32Å; L604-E606 VanDerWaalsContact C-N 3.33Å; L604-E606 PolarHBondContact O-N 3.05Å
605	E	35.6	Very low	35.7	Very low	183 Å²	183	157.1 Å²	157.1	86%	0.855	80%	0.801	S	S	*	*			trans	-70.4	93.7	166.8	-63.8	-175.2	171.9	0	0	107.1	D607	E605-D607 PolarHBondContact O-N 3.33Å
606	E	37.6	Very low	36.1	Very low	181 Å²	181	156.4 Å²	156.4	85%	0.846	80%	0.802	S	S	*	*			trans	-77.6	109.3	162.9	-79.7	-178.4	162.4	0	0	107.9	L604 G608	L604-E606 VanDerWaalsContact C-N 3.33Å; L604-E606 PolarHBondContact O-N 3.05Å; E606-G608 PolarHBondContact O-N 3.27Å
607	D	36.9	Very low	35.9	Very low	163 Å²	163	152.1 Å²	152.1	87%	0.872	80%	0.802	S	S	*	*			trans	-64.1	87.5	162.3	-81.1	-37	0	0	0	108.8	E605 E609	E605-D607 PolarHBondContact O-N 3.33Å; D607-E609 PolarHBondContact O-N 3.48Å
608	G	35.3	Very low	36	Very low	68 Å²	68	147.9 Å²	147.9	70%	0.701	80%	0.798	S	S	*	*			trans	-83.4	91	173	0	0	0	0	0	111.6	E606 S610	E606-G608 PolarHBondContact O-N 3.27Å; G608-S610 PolarHBondContact O-N 3.03Å; G608-S610 VanDerWaalsContact O-N 3.16Å
609	E	36.5	Very low	36.1	Very low	195 Å²	195	148.1 Å²	148.1	91%	0.911	80%	0.802	S	S	*	*			trans	-74.2	93.4	158.4	-74.5	-173.2	159.1	0	0	109.1	D607	D607-E609 PolarHBondContact O-N 3.48Å
610	S	37.8	Very low	36.4	Very low	101 Å²	101	145.5 Å²	145.5	71%	0.706	80%	0.797	S	S	*	*			trans	-97.8	93.8	166.3	74.1	0	0	0	0	110.2	G608 T612	G608-S610 PolarHBondContact O-N 3.03Å; G608-S610 VanDerWaalsContact O-N 3.16Å; S610-T612 PolarHBondContact O-N 3.27Å
611	D	38.1	Very low	36.8	Very low	163 Å²	163	145.1 Å²	145.1	87%	0.872	80%	0.798	S	S	*	*			trans	-65.3	112.2	163.2	-95.8	-24.6	0	0	0	109.7
612	T	40.9	Very low	37.1	Very low	125 Å²	125	146.3 Å²	146.3	77%	0.767	80%	0.804	S	S	*	*			trans	-126.4	88.4	164.6	39.3	0	0	0	0	110.2	S610 K614	S610-T612 PolarHBondContact O-N 3.27Å; T612-K614 PolarHBondContact O-N 2.96Å
613	E	37.7	Very low	37.3	Very low	192 Å²	192	147.9 Å²	147.9	90%	0.897	81%	0.813	S	S	*	*			trans	-65.1	110.5	161.8	-69.5	-160.2	154.8	0	0	109.8
614	K	44.2	Very low	37.4	Very low	203 Å²	203	148.7 Å²	148.7	88%	0.883	82%	0.818	S	S	*	*			trans	-134.9	96.7	153.9	-76.5	-166.8	179.7	171.8	0	110.8	T612	T612-K614 PolarHBondContact O-N 2.96Å
615	D	36	Very low	37.5	Very low	154 Å²	154	148 Å²	148	82%	0.824	83%	0.825	S	S	*	*			trans	-47.9	123.5	160.1	-177	20.4	0	0	0	112.4
616	S	42.7	Very low	37.2	Very low	118 Å²	118	145.1 Å²	145.1	83%	0.825	82%	0.824	S	S	*	*			trans	-179.3	105.3	146.7	-81.2	0	0	0	0	110.4
617	G	32.1	Very low	37.2	Very low	76 Å²	76	142 Å²	142	78%	0.784	82%	0.822	S	S	*	*			trans	-79.3	148.2	176.1	0	0	0	0	0	114.7
618	S	39.3	Very low	37.3	Very low	118 Å²	118	140.9 Å²	140.9	83%	0.825	82%	0.816	S	S	*	*			trans	-171.8	97.1	145.2	55.7	0	0	0	0	111.5
619	Q	35.3	Very low	37.5	Very low	182 Å²	182	142.3 Å²	142.3	85%	0.85	82%	0.815	S	S	*	*				33.7	127.8	126.4	-113.8	-174.8	-29	0	0	122.3
620	V	36.1	Very low	37.5	Very low	117 Å²	117	142.2 Å²	142.2	71%	0.709	81%	0.811	S	S	*	*			trans	88.7	133.4	135.8	-100.3	0	0	0	0	125.2
621	E	39.1	Very low	37.2	Very low	168 Å²	168	143.7 Å²	143.7	79%	0.785	82%	0.817	S	S	*	*			trans	91.6	98.5	153.9	-39.9	-149.5	158.5	0	0	117.4
622	E	35.7	Very low	36.9	Very low	176 Å²	176	144.1 Å²	144.1	82%	0.822	82%	0.818	S	S	*	*				67.9	106.3	92.1	-87	-169.8	169.7	0	0	113.5
623	D	38.7	Very low	36.3	Very low	164 Å²	164	143.6 Å²	143.6	88%	0.877	82%	0.818	S	S	*	*				-168.7	131.2	124.7	-100.9	-25.5	0	0	0	113.7
624	T	33.3	Very low	36.2	Very low	134 Å²	134	140.3 Å²	140.3	82%	0.822	81%	0.811	S	S	*	*			trans	-66.2	140.9	178	34.2	0	0	0	0	115.2
625	S	39.5	Very low	35.7	Very low	128 Å²	128	138.2 Å²	138.2	90%	0.895	81%	0.805	S	S	*	*				-162.4	143.6	129.7	81.3	0	0	0	0	112.3
626	C	28.9	Very low	35.7	Very low	122 Å²	122	138 Å²	138	82%	0.824	80%	0.803	S	S	*	*			trans	-113.8	143.6	-167.3	-171.5	0	0	0	0	110.9
627	S	38.2	Very low	35.3	Very low	115 Å²	115	137.8 Å²	137.8	80%	0.804	80%	0.802	S	S	*	*			trans	-161.8	98.3	153.6	-124.7	0	0	0	0	113.6
628	D	38.1	Very low	35.4	Very low	140 Å²	140	143.3 Å²	143.3	75%	0.749	81%	0.807	S	S	*	*				47.6	115.2	126.3	-80.8	-27.1	0	0	0	123.7
629	S	38.4	Very low	35.1	Very low	98 Å²	98	143.6 Å²	143.6	69%	0.685	81%	0.809	S	S	*	*				112.3	128.2	106.7	-80.7	0	0	0	0	121.8
630	K	36.7	Very low	35	Very low	192 Å²	192	141.4 Å²	141.4	84%	0.835	81%	0.808	S	S	*	*			trans	88.3	105.2	158	-62.8	174.5	-178	174.5	0	116.7
631	T	31.8	Very low	34.9	Very low	133 Å²	133	144.5 Å²	144.5	82%	0.816	82%	0.815	S	S	*	*				64	102	54.1	-34.2	0	0	0	0	115.2
632	L	33.3	Very low	34.8	Very low	172 Å²	172	143.8 Å²	143.8	90%	0.901	82%	0.815	S	S	*	*			trans	-157.7	136.3	134.2	-130.1	110.6	0	0	0	110.5
633	C	27.1	Very low	34.8	Very low	113 Å²	113	141.3 Å²	141.3	76%	0.764	81%	0.814	S	S	*	*			trans	-134.9	133.8	-175.1	179.6	0	0	0	0	107.4
634	T	36	Very low	34.5	Very low	123 Å²	123	141 Å²	141	76%	0.755	81%	0.812	S	S	*	*			trans	-173	107.6	159.1	32	0	0	0	0	106.5
635	Q	34.4	Very low	34.5	Very low	160 Å²	160	142.1 Å²	142.1	75%	0.748	81%	0.813	S	S	*	*				54.6	104.6	82.3	-91.4	-174.3	-23.1	0	0	113.9
636	D	34.8	Very low	34.4	Very low	149 Å²	149	145.6 Å²	145.6	80%	0.797	82%	0.815	S	S	*	*				166.3	138.7	97.5	-81.1	-28.4	0	0	0	112.4
637	S	33.9	Very low	34.5	Very low	113 Å²	113	148.6 Å²	148.6	79%	0.79	82%	0.817	S	S	*	*			trans	-82.3	151.6	171.8	-56.4	0	0	0	0	111.4
638	E	33.9	Very low	34.5	Very low	193 Å²	193	149.5 Å²	149.5	90%	0.902	82%	0.817	S	S	*	*			trans	179.8	129.6	130.3	-104.1	178.4	157.8	0	0	112.4
639	S	33.2	Very low	34.5	Very low	124 Å²	124	151.8 Å²	151.8	87%	0.867	82%	0.823	S	S	*	*			trans	-75.8	147.3	171.6	-48.2	0	0	0	0	110.9
640	T	33.2	Very low	34.3	Very low	135 Å²	135	156.3 Å²	156.3	83%	0.828	83%	0.834	S	S	*	*			trans	-129.3	121.2	170.1	-55.4	0	0	0	0	110.7
641	E	35.5	Very low	34.3	Very low	182 Å²	182	156.9 Å²	156.9	85%	0.85	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-68.1	146.7	168.7	-64.3	-176.4	145.9	0	0	111.6
642	I	36.1	Very low	34.4	Very low	153 Å²	153	155.1 Å²	155.1	79%	0.785	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-97.4	123.4	179.3	-49.9	169	0	0	0	109
643	P	35.8	Very low	34.7	Very low	124 Å²	124	154.5 Å²	154.5	81%	0.805	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-93.3	126.3	161.8	-2.3	22.1	0	0	0	110.5
644	L	33.2	Very low	35.3	Very low	157 Å²	157	152.5 Å²	152.5	82%	0.822	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-93.1	125.8	167.9	-74.3	163.7	0	0	0	109.1
645	D	32.4	Very low	35.1	Very low	159 Å²	159	155.8 Å²	155.8	85%	0.85	85%	0.847	S	S	*	*			trans	-174	113.4	146.6	-101.6	-19.6	0	0	0	108.9
646	E	37.3	Very low	35.4	Very low	200 Å²	200	157.8 Å²	157.8	94%	0.935	86%	0.856	S	S	*	*			trans	-155.6	129.8	145.2	-117.6	177	-172.7	0	0	110.8
647	Q	31.1	Very low	35.4	Very low	186 Å²	186	159.8 Å²	159.8	87%	0.869	86%	0.86	S	S	*	*			trans	-80.1	142.1	-176.1	-64.4	164.4	-18.5	0	0	110.5
648	V	38.7	Very low	35.6	Very low	133 Å²	133	163.3 Å²	163.3	81%	0.806	86%	0.864	S	S	*	*			trans	-139.3	103.3	158.2	-175.7	0	0	0	0	110.3
649	E	38.3	Very low	35.8	Very low	188 Å²	188	159.1 Å²	159.1	88%	0.879	86%	0.856	S	S	*	*			trans	43	130.6	132.3	-58.6	-176.4	158.7	0	0	122.6
650	E	32.9	Very low	35.7	Very low	193 Å²	193	162.2 Å²	162.2	90%	0.902	86%	0.857	S	S	*	*			trans	-69.7	145	173	-63.7	173.4	133.8	0	0	113.6
651	E	37.2	Very low	36.1	Very low	204 Å²	204	161.4 Å²	161.4	95%	0.953	85%	0.854	S	S	*	*			trans	-136.1	134.3	145.5	-87.5	-160.1	157.8	0	0	110.7
652	A	34.2	Very low	36.1	Very low	97 Å²	97	161.7 Å²	161.7	80%	0.802	86%	0.855	S	S	*	*			trans	-111.8	131	-173.7	0	0	0	0	0	111.5
653	V	40.2	Very low	36.2	Very low	159 Å²	159	159 Å²	159	96%	0.964	86%	0.856	S	S	*	*			trans	-159.1	135.1	159.4	-171.6	0	0	0	0	105.3
654	G	38.1	Very low	36.4	Very low	70 Å²	70	159.4 Å²	159.4	72%	0.722	86%	0.861	S	S	*	*			cis	168.7	137.6	6.6	0	0	0	0	0	105.1
655	E	33.3	Very low	36.6	Very low	193 Å²	193	157.9 Å²	157.9	90%	0.902	86%	0.857	S	S	*	*			trans	-72.3	140.6	-174.1	-58.8	169.2	152.5	0	0	112.8
656	E	39.4	Very low	37.4	Very low	201 Å²	201	158.3 Å²	158.3	94%	0.939	86%	0.858	S	S	*	*			trans	-144.8	114.5	149.3	-72.2	-165.7	166.2	0	0	110.6
657	E	34.7	Very low	37.6	Very low	192 Å²	192	155.2 Å²	155.2	90%	0.897	85%	0.848	S	S	*	*			trans	-81.4	139.2	161.1	-70.5	-176.2	136.6	0	0	109.4
658	E	39.3	Very low	38.4	Very low	186 Å²	186	152.8 Å²	152.8	87%	0.869	84%	0.841	S	S	*	*			trans	-170.1	121.5	137	-116.8	177.8	172.9	0	0	114.8
659	S	37.8	Very low	38.7	Very low	105 Å²	105	157 Å²	157	73%	0.734	84%	0.842	S	S	*	*			trans	60.3	119.4	134.6	65.3	0	0	0	0	123.7
660	Q	31.1	Very low	39	Very low	189 Å²	189	153.5 Å²	153.5	88%	0.883	84%	0.838	S	S	*	*			trans	-67.7	159	147.7	-70.2	-178.5	-20.8	0	0	110.8
661	P	40.5	Very low	39.9	Very low	118 Å²	118	149.5 Å²	149.5	77%	0.766	83%	0.829	S	S	*	*				-155.9	160.3	81.8	37.5	-15	0	0	0	118.7
662	E	37.1	Very low	40.7	Very low	188 Å²	188	147.1 Å²	147.1	88%	0.879	82%	0.823	S	S	*	*			trans	32.7	139.4	140.2	-64.1	-172	151.8	0	0	125.5
663	A	38	Very low	41.6	Very low	96 Å²	96	153.2 Å²	153.2	79%	0.793	85%	0.85	S	S	*	*			trans	80.9	116.3	137.8	0	0	0	0	0	120.7
664	C	38.6	Very low	41.7	Very low	134 Å²	134	152.9 Å²	152.9	91%	0.905	85%	0.845	S	S	*	*				-163.2	139.4	110.3	-140.3	0	0	0	0	112.9
665	V	39.2	Very low	41.8	Very low	124 Å²	124	157.3 Å²	157.3	75%	0.752	85%	0.851	S	S	*	*			trans	-87.1	136	179.9	170.5	0	0	0	0	109.5
666	I	48.4	Very low	42.3	Very low	168 Å²	168	155.3 Å²	155.3	86%	0.862	85%	0.848	S	S	*	*			trans	-138.9	120.8	146.4	-60.5	-174.9	0	0	0	109.2
667	D	41.9	Very low	42.5	Very low	136 Å²	136	152.6 Å²	152.6	73%	0.727	84%	0.843	S	S	*	*			trans	-92.4	131.8	173.6	-177	14.3	0	0	0	107.7
668	D	47.1	Very low	43	Very low	134 Å²	134	150.1 Å²	150.1	72%	0.717	84%	0.839	S	S	*	*			trans	-157.7	107.7	150.3	-127.8	-16.8	0	0	0	112.5
669	R	45.8	Very low	43.2	Very low	223 Å²	223	147.7 Å²	147.7	84%	0.842	84%	0.837	S	S	*	*			trans	59.9	118.1	134.9	-77.8	176.9	175.1	174.6	-2.1	122.4
670	S	44.8	Very low	43.6	Very low	113 Å²	113	150.8 Å²	150.8	79%	0.79	85%	0.845	S	S	*	*			trans	-67.2	-168.9	161.9	-34	0	0	0	0	114.3
671	P	51.2	Low	44.6	Very low	109 Å²	109	147.8 Å²	147.8	71%	0.708	84%	0.842	S	S	*	*				-122.8	-179.1	-101.3	34.1	-11.9	0	0	0	112.8
672	D	54.4	Low	44.9	Very low	154 Å²	154	150.3 Å²	150.3	82%	0.824	85%	0.848	S	S	*	*			trans	164.1	102.9	143	-88.6	-18	0	0	0	110.6
673	T	52.3	Low	45.6	Very low	225 Å²	225	146.9 Å²	146.9	100%	1.38	85%	0.845	S	S	*	*			trans	-166.5	0	130.7	-6.7	0	0	0	0	110.7

Retrieved 673 of 673 residues in 2358.7 ms (Link to these results)

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