X2JEJ0_DROME Loading...

Bleomycin hydrolase

AlphaFold DB , UniProt , Accession X2JEJ0, Species DROME (Drosophila melanogaster, Fruit fly), Gene Dmel\CG1440, Length 551 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.7	Very low	38.4	Very low	244 Å²	244	173.5 Å²	173.5	100%	1.202	86%	0.857	S	S	*	*				0	93.8	0	-134.5	171.1	-90.6	0	0	106.5
2	F	31.7	Very low	38.8	Very low	194 Å²	194	172 Å²	172	85%	0.851	85%	0.852	S	S	*	*			trans	-73.5	150.7	-173.8	-85.8	-105.7	0	0	0	111
3	W	36.3	Very low	38.4	Very low	233 Å²	233	173.2 Å²	173.2	88%	0.883	85%	0.849	S	S	*	*				-178.7	124.1	106.6	-106.1	72.7	0	0	0	111.5	V5	W3-V5 HydrophobicContact CE3-CG2 3.71Å; W3-V5 HydrophobicContact CZ3-CG2 3.91Å
4	A	35.3	Very low	39.1	Very low	94 Å²	94	172.2 Å²	172.2	78%	0.777	85%	0.847	S	S	*	*			trans	-102.1	146.7	164.8	0	0	0	0	0	108.5
5	V	53	Low	39.2	Very low	127 Å²	127	171.1 Å²	171.1	77%	0.77	85%	0.846	S	S	*	*			trans	-128.5	116.9	166.9	178.2	0	0	0	0	109.6	W3	W3-V5 HydrophobicContact CE3-CG2 3.71Å; W3-V5 HydrophobicContact CZ3-CG2 3.91Å
6	R	33.4	Very low	39	Very low	237 Å²	237	167.7 Å²	167.7	89%	0.894	84%	0.844	S	S	*	*			trans	-106.9	142.5	163.9	-113.2	-173.7	177.1	-171.8	0.3	107.5
7	R	40.4	Very low	39.4	Very low	240 Å²	240	165.5 Å²	165.5	91%	0.906	84%	0.844	S	S	*	*			trans	169.4	142.7	153.2	-100	171.6	-167.1	-136.3	5.2	107.2
8	S	40.4	Very low	39.2	Very low	101 Å²	101	167.4 Å²	167.4	71%	0.706	85%	0.846	S	S	*	*			cis	-175.3	147.9	-3.3	25.8	0	0	0	0	106.4
9	V	32.9	Very low	39.2	Very low	140 Å²	140	167.4 Å²	167.4	85%	0.848	85%	0.847	S	S	*	*			trans	-86.1	142.1	178.7	174.1	0	0	0	0	110.5
10	T	44.1	Very low	39.2	Very low	133 Å²	133	164.7 Å²	164.7	82%	0.816	84%	0.844	S	S	*	*			trans	-125.2	121	165.5	-40.2	0	0	0	0	109.8
11	Q	34.1	Very low	38.9	Very low	166 Å²	166	166.1 Å²	166.1	78%	0.776	85%	0.848	S	S	*	*			trans	-84	143	173.4	-98.5	174.3	-16.6	0	0	111
12	I	43.1	Very low	38.7	Very low	155 Å²	155	162.2 Å²	162.2	80%	0.795	83%	0.832	S	S	*	*			trans	-123.3	122.1	159.8	-64.9	176.6	0	0	0	107.9	I14	I12-I14 HydrophobicContact CG2-CG1 4.33Å
13	K	33.8	Very low	38.9	Very low	187 Å²	187	157.6 Å²	157.6	81%	0.813	82%	0.821	S	S	*	*			trans	-99.2	136.9	168.5	-86.8	-179.8	173.9	177.1	0	108.8
14	I	48.1	Very low	38.8	Very low	160 Å²	160	153.3 Å²	153.3	82%	0.821	82%	0.815	S	S	*	*			trans	-135.9	140.7	159	-59.9	-178.2	0	0	0	109.4	I12	I12-I14 HydrophobicContact CG2-CG1 4.33Å
15	N	41.3	Very low	38.9	Very low	155 Å²	155	155.2 Å²	155.2	83%	0.829	82%	0.818	S	S	*	*			trans	-73.1	155.2	-164.5	-69.8	-42.2	0	0	0	116.5
16	S	34.8	Very low	38.1	Very low	117 Å²	117	160.1 Å²	160.1	82%	0.818	82%	0.824	S	S	*	*			trans	-88.2	168.2	164	-47.7	0	0	0	0	112.8
17	P	47	Very low	37.9	Very low	131 Å²	131	160 Å²	160	85%	0.851	82%	0.824	S	S	*	*				-132.7	158.1	129.3	32.3	-17.2	0	0	0	114.5
18	K	35.1	Very low	37.5	Very low	199 Å²	199	156.1 Å²	156.1	87%	0.865	82%	0.821	S	S	*	*			trans	-69.9	156.1	-172.6	-62.2	169.5	174.4	176.1	0	113.9
19	L	39.1	Very low	37.1	Very low	168 Å²	168	163 Å²	163	88%	0.88	83%	0.831	S	S	*	*				-168	132.1	129.4	-102.9	156.7	0	0	0	114.8
20	S	39.9	Very low	37.2	Very low	113 Å²	113	163.3 Å²	163.3	79%	0.79	83%	0.826	S	S	*	*			trans	57.9	128.4	152.6	61.6	0	0	0	0	123.6
21	Q	32.5	Very low	36.8	Very low	195 Å²	195	162.3 Å²	162.3	91%	0.911	82%	0.822	S	S	*	*			trans	-78.6	151.5	177.8	-62	169.3	-21.4	0	0	113.1
22	N	36.5	Very low	36.8	Very low	162 Å²	162	165.2 Å²	165.2	87%	0.866	83%	0.828	S	S	*	*			trans	-144.4	133.3	143.3	-146.3	2.5	0	0	0	108.8
23	P	35	Very low	36.5	Very low	96 Å²	96	162.9 Å²	162.9	62%	0.623	82%	0.823	S	S	*	*			trans	-96.6	171.2	-172.3	36.6	-28.1	0	0	0	112.4
24	N	35.8	Very low	36.1	Very low	144 Å²	144	163.4 Å²	163.4	77%	0.77	83%	0.828	S	S	*	*			trans	95	99.3	175.9	-55.2	-30.6	0	0	0	115.2
25	T	36.8	Very low	35.2	Very low	134 Å²	134	163 Å²	163	82%	0.822	82%	0.822	S	S	*	*				-179.3	124	100.6	29.6	0	0	0	0	112
26	Y	35.4	Very low	34.5	Very low	230 Å²	230	165.2 Å²	165.2	90%	0.902	83%	0.828	S	S	*	*			trans	35.6	113.6	153.3	-74.1	-88.6	0	0	0	122.5
27	R	29.3	Very low	34.2	Very low	235 Å²	235	167.1 Å²	167.1	89%	0.887	82%	0.824	S	S	*	*			trans	-52.3	133.8	158.5	-68.9	170.9	173	170.4	-3.1	112
28	N	33.4	Very low	33.3	Very low	158 Å²	158	168.9 Å²	168.9	85%	0.845	82%	0.821	S	S	*	*			trans	-150.7	95.7	131.3	-97	-21.7	0	0	0	108.7
29	R	30.7	Very low	33.3	Very low	245 Å²	245	163.3 Å²	163.3	93%	0.925	81%	0.805	S	S	*	*			trans	-91.7	112.8	161	-76.7	-174	-172.8	-159.6	1.2	106.6
30	I	36.1	Very low	32.8	Very low	146 Å²	146	158.4 Å²	158.4	75%	0.749	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-101.3	124.1	160.5	-58.8	178.6	0	0	0	106.3
31	P	34.6	Very low	32.4	Very low	113 Å²	113	160.1 Å²	160.1	73%	0.734	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-76.8	126.5	177	30.2	-28.8	0	0	0	109.6
32	Y	35.3	Very low	32.2	Very low	226 Å²	226	161 Å²	161	89%	0.886	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-66.1	127.2	167.2	-92.3	-91.4	0	0	0	109.8
33	P	35.1	Very low	31.9	Very low	106 Å²	106	162.8 Å²	162.8	69%	0.688	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-76.3	126.1	159.5	12.5	1.6	0	0	0	108.9	Q35	P33-Q35 PolarHBondContact O-N 3.31Å
34	Q	27.4	Very low	31.6	Very low	199 Å²	199	163.2 Å²	163.2	93%	0.93	78%	0.784	S	S	*	*			trans	-61.7	103.4	162.2	-77.4	175	-30.4	0	0	108.6
35	Q	29.1	Very low	31.2	Very low	150 Å²	150	166 Å²	166	70%	0.701	79%	0.789	S	S	*	*			trans	-117.9	103.3	157.9	-83.5	-176.7	-10.9	0	0	107.7	P33 Q37	P33-Q35 PolarHBondContact O-N 3.31Å; Q35-Q37 VanDerWaalsContact C-N 3.32Å; Q35-Q37 PolarHBondContact O-N 3.23Å; Q35-Q37 VanDerWaalsContact O-N 3.08Å
36	Q	26.3	Very low	30.9	Very low	202 Å²	202	166.7 Å²	166.7	94%	0.944	78%	0.783	S	S	*	*			trans	-64.5	98.2	156.3	-77.8	172.9	-19	0	0	106.8
37	Q	27.5	Very low	30.6	Very low	157 Å²	157	160.6 Å²	160.6	73%	0.734	77%	0.774	S	S	*	*			trans	-114.6	104.7	159.2	-79.6	-177.2	-3.7	0	0	106.5	Q35	Q35-Q37 VanDerWaalsContact C-N 3.32Å; Q35-Q37 PolarHBondContact O-N 3.23Å; Q35-Q37 VanDerWaalsContact O-N 3.08Å
38	E	29.3	Very low	30.6	Very low	168 Å²	168	155.5 Å²	155.5	79%	0.785	77%	0.769	S	S	*	*			trans	-55	138	164.3	-68.3	178.4	151.9	0	0	108.5	A40	E38-A40 VanDerWaalsContact C-N 3.3Å; E38-A40 PolarHBondContact O-N 3.15Å
39	P	34.4	Very low	30.4	Very low	83 Å²	83	155.2 Å²	155.2	54%	0.539	76%	0.763	S	S	.	*			trans	-67.9	98.9	164.7	-3.9	20.5	0	0	0	106.2	M41	P39-M41 PolarHBondContact O-N 3.26Å
40	A	29.3	Very low	30.4	Very low	65 Å²	65	149 Å²	149	54%	0.537	75%	0.752	S	S	.	*			trans	-56.8	120.4	160.9	0	0	0	0	0	106.5	E38 Y42	E38-A40 VanDerWaalsContact C-N 3.3Å; E38-A40 PolarHBondContact O-N 3.15Å; A40-Y42 HydrophobicContact CB-CD2 4.03Å; A40-Y42 HydrophobicContact CB-CE2 4.21Å; A40-Y42 PolarHBondContact O-N 3.21Å
41	M	31.2	Very low	30.1	Very low	149 Å²	149	149.3 Å²	149.3	73%	0.734	75%	0.75	S	S	*	*			trans	-57.2	96.3	158.4	-81.9	-153.2	-76.5	0	0	106.2	P39 Y43	P39-M41 PolarHBondContact O-N 3.26Å; M41-Y43 PolarHBondContact O-N 3.19Å
42	Y	28.6	Very low	29.9	Very low	213 Å²	213	150.5 Å²	150.5	84%	0.835	76%	0.755	S	S	*	*			trans	-73.2	98.9	175.9	-106.2	-90.6	0	0	0	106.9	A40 S44	A40-Y42 HydrophobicContact CB-CD2 4.03Å; A40-Y42 HydrophobicContact CB-CE2 4.21Å; A40-Y42 PolarHBondContact O-N 3.21Å; Y42-S44 PolarHBondContact O-N 2.97Å
43	Y	29.8	Very low	29.9	Very low	200 Å²	200	147 Å²	147	78%	0.784	75%	0.75	S	S	*	*			trans	-54.7	122.3	150.5	-82.8	-88.7	0	0	0	106.9	M41 K45	M41-Y43 PolarHBondContact O-N 3.19Å; Y43-K45 VanDerWaalsContact C-N 3.3Å; Y43-K45 PolarHBondContact O-N 2.89Å
44	S	27.5	Very low	29.9	Very low	105 Å²	105	146.3 Å²	146.3	73%	0.734	75%	0.748	S	S	*	*			trans	-57.2	97.8	165.1	48.9	0	0	0	0	108	Y42 E46	Y42-S44 PolarHBondContact O-N 2.97Å; S44-E46 PolarHBondContact O-N 3.15Å
45	K	27.6	Very low	30	Very low	203 Å²	203	140.8 Å²	140.8	88%	0.883	74%	0.744	S	S	*	*			trans	-71.5	85	151.7	-81.4	-171.8	177.2	-179.8	0	105.9	Y43 S47	Y43-K45 VanDerWaalsContact C-N 3.3Å; Y43-K45 PolarHBondContact O-N 2.89Å; K45-S47 PolarHBondContact O-N 2.86Å
46	E	30.8	Very low	30.3	Very low	148 Å²	148	142.1 Å²	142.1	69%	0.692	75%	0.751	S	S	*	*			trans	-55.4	124.3	155.8	-78.1	-169.6	153.7	0	0	107.2	S44 V48	S44-E46 PolarHBondContact O-N 3.15Å; E46-V48 PolarHBondContact O-N 3.42Å
47	S	29.4	Very low	30.5	Very low	102 Å²	102	144.2 Å²	144.2	71%	0.713	75%	0.75	S	S	*	*			trans	-54.6	107.9	174.7	47.8	0	0	0	0	109.2	K45 Q49	K45-S47 PolarHBondContact O-N 2.86Å; S47-Q49 PolarHBondContact O-N 2.83Å
48	V	29	Very low	30.8	Very low	128 Å²	128	142.8 Å²	142.8	78%	0.776	76%	0.756	S	S	*	*			trans	-64.5	89.8	154	-179.9	0	0	0	0	105.8	E46 T50	E46-V48 PolarHBondContact O-N 3.42Å; V48-T50 VanDerWaalsContact C-N 3.32Å; V48-T50 HydrophobicContact CG1-CG2 4.13Å; V48-T50 PolarHBondContact O-N 3.33Å; V48-T50 VanDerWaalsContact O-N 3.09Å
49	Q	30	Very low	30.9	Very low	152 Å²	152	143.1 Å²	143.1	71%	0.71	76%	0.758	S	S	*	*			trans	-68	100.8	157.3	-86.2	-172.3	-16.4	0	0	106.3	S47 H51	S47-Q49 PolarHBondContact O-N 2.83Å; Q49-H51 VanDerWaalsContact C-N 3.29Å; Q49-H51 PolarHBondContact O-N 3.39Å
50	T	29.2	Very low	31.1	Very low	115 Å²	115	144.1 Å²	144.1	71%	0.706	77%	0.766	S	S	*	*			trans	-62.2	93.8	163.4	42.9	0	0	0	0	108.1	V48 T52	V48-T50 VanDerWaalsContact C-N 3.32Å; V48-T50 HydrophobicContact CG1-CG2 4.13Å; V48-T50 PolarHBondContact O-N 3.33Å; V48-T50 VanDerWaalsContact O-N 3.09Å; T50-T52 PolarHBondContact O-N 3.07Å
51	H	31.2	Very low	31.4	Very low	151 Å²	151	148.1 Å²	148.1	70%	0.699	77%	0.774	S	S	*	*			trans	-78.3	101.3	157.6	-82	-15.1	0	0	0	108.2	Q49 I53	Q49-H51 VanDerWaalsContact C-N 3.29Å; Q49-H51 PolarHBondContact O-N 3.39Å; H51-I53 VanDerWaalsContact C-N 3.32Å; H51-I53 PolarHBondContact O-N 2.96Å
52	T	30.6	Very low	31.4	Very low	139 Å²	139	148 Å²	148	85%	0.853	78%	0.775	S	S	*	*			trans	-58.6	95.4	161.5	-19	0	0	0	0	107.6	T50	T50-T52 PolarHBondContact O-N 3.07Å
53	I	33.7	Very low	31.7	Very low	151 Å²	151	145.8 Å²	145.8	77%	0.774	78%	0.777	S	S	*	*			trans	-89	109.5	162.5	-63.9	179.6	0	0	0	106	H51	H51-I53 VanDerWaalsContact C-N 3.32Å; H51-I53 PolarHBondContact O-N 2.96Å
54	S	36.4	Very low	31.9	Very low	92 Å²	92	141 Å²	141	64%	0.643	78%	0.779	S	S	*	*			trans	-42.4	134	164.6	45.6	0	0	0	0	110.8	E56	S54-E56 PolarHBondContact O-N 3.25Å
55	G	30.1	Very low	32.5	Very low	83 Å²	83	140.5 Å²	140.5	86%	0.856	78%	0.781	S	S	*	*			trans	-57.9	112.7	177.6	0	0	0	0	0	111.8
56	E	34.1	Very low	32.9	Very low	179 Å²	179	138.4 Å²	138.4	84%	0.836	78%	0.78	S	S	*	*			trans	-134.4	140.5	155.4	-75.8	-170.1	145.5	0	0	108.4	S54 C58	S54-E56 PolarHBondContact O-N 3.25Å; E56-C58 PolarHBondContact O-N 3Å
57	R	31.2	Very low	33.3	Very low	246 Å²	246	139.5 Å²	139.5	93%	0.928	79%	0.79	S	S	*	*			trans	-49.6	120.5	-174.3	-73.9	165.7	162.8	173.3	-6	112.5	Q59	R57-Q59 PolarHBondContact O-N 3.43Å
58	C	32.6	Very low	33.7	Very low	127 Å²	127	142.5 Å²	142.5	86%	0.858	80%	0.798	S	S	*	*			trans	-78	98.3	156.4	-90.1	0	0	0	0	110	E56	E56-C58 PolarHBondContact O-N 3Å
59	Q	32.7	Very low	34.3	Very low	175 Å²	175	142.2 Å²	142.2	82%	0.818	80%	0.802	S	S	*	*			trans	-108.9	109.5	143.6	-84.4	-174.9	-23.5	0	0	107	R57	R57-Q59 PolarHBondContact O-N 3.43Å
60	S	37.9	Very low	34.7	Very low	103 Å²	103	138.1 Å²	138.1	72%	0.72	80%	0.8	S	S	*	*			trans	-132	105.1	162.7	48.9	0	0	0	0	105.9
61	H	37	Very low	35.3	Very low	150 Å²	150	138.8 Å²	138.8	69%	0.694	81%	0.81	S	S	*	*				46.1	111.8	74.2	-80.1	-67.8	0	0	0	114.6
62	L	30.7	Very low	35.6	Very low	145 Å²	145	135.6 Å²	135.6	76%	0.759	82%	0.818	S	S	*	*			trans	66.9	129	139.5	-61.9	155.4	0	0	0	114.8
63	L	34.9	Very low	36	Very low	167 Å²	167	133 Å²	133	87%	0.874	82%	0.819	S	S	*	*				-158.1	134.1	66.7	-77	157.6	0	0	0	110.4
64	A	33.4	Very low	36.2	Very low	101 Å²	101	130.1 Å²	130.1	84%	0.835	83%	0.826	S	S	*	*			trans	-77.5	141.2	160.5	0	0	0	0	0	109
65	A	39.5	Very low	36.3	Very low	94 Å²	94	129.8 Å²	129.8	78%	0.777	84%	0.837	S	S	*	*			trans	-120.9	112.7	168.9	0	0	0	0	0	109.2
66	D	37.4	Very low	36.8	Very low	159 Å²	159	132 Å²	132	85%	0.85	84%	0.839	S	S	*	*			trans	49	101.5	144.6	-59.9	-23.8	0	0	0	121
67	N	37.8	Very low	37.2	Very low	171 Å²	171	127 Å²	127	91%	0.914	84%	0.837	S	S	*	*			trans	-94.6	119.9	147.4	-83.9	-28.9	0	0	0	109
68	N	38.3	Very low	37.6	Very low	164 Å²	164	119.7 Å²	119.7	88%	0.877	84%	0.837	S	S	*	*			trans	-165.5	104.1	147.2	-142.1	1.5	0	0	0	112.4
69	S	42.1	Very low	37.9	Very low	122 Å²	122	117.6 Å²	117.6	85%	0.853	84%	0.838	S	S	*	*			trans	-155.2	127.5	150.4	55.4	0	0	0	0	109.3
70	G	37.7	Very low	38.3	Very low	66 Å²	66	113.4 Å²	113.4	68%	0.68	84%	0.841	S	S	*	*			trans	-94.1	-164.3	-166.4	0	0	0	0	0	115.8
71	S	41.2	Very low	38.4	Very low	129 Å²	129	113.9 Å²	113.9	90%	0.902	85%	0.852	S	S	*	*			trans	79.1	126.6	-175.2	77.5	0	0	0	0	113.6
72	G	38.1	Very low	38.7	Very low	84 Å²	84	110.6 Å²	110.6	87%	0.866	86%	0.858	S	S	*	*			cis	136.5	122.8	12.7	0	0	0	0	0	107.2
73	G	39	Very low	39.2	Very low	85 Å²	85	110.7 Å²	110.7	88%	0.876	86%	0.859	S	S	*	*			trans	131.9	116.6	169.6	0	0	0	0	0	115.1
74	G	37.6	Very low	39.7	Very low	90 Å²	90	109.9 Å²	109.9	93%	0.928	86%	0.856	S	S	*	*			trans	-85.8	-177	-170.7	0	0	0	0	0	117.1
75	G	39.5	Very low	40.1	Very low	85 Å²	85	112.8 Å²	112.8	88%	0.876	86%	0.858	S	S	*	*			trans	160.4	106.2	170.3	0	0	0	0	0	113
76	S	40	Very low	40.2	Very low	129 Å²	129	114.3 Å²	114.3	90%	0.902	86%	0.862	S	S	*	*			trans	-86.9	151.2	-174.9	46.6	0	0	0	0	115.4
77	G	41.7	Very low	40.3	Very low	76 Å²	76	111.2 Å²	111.2	78%	0.784	86%	0.859	S	S	*	*			trans	155.3	101.4	159.9	0	0	0	0	0	111.1
78	G	41	Very low	40.5	Very low	91 Å²	91	110.8 Å²	110.8	94%	0.938	86%	0.856	S	S	*	*				73.2	123.5	90.6	0	0	0	0	0	110.8
79	G	38.6	Very low	40.6	Very low	84 Å²	84	108.4 Å²	108.4	87%	0.866	85%	0.853	S	S	*	*			cis	167.2	154.9	8.4	0	0	0	0	0	106
80	G	40.5	Very low	40.6	Very low	86 Å²	86	106.1 Å²	106.1	89%	0.887	85%	0.848	S	S	*	*			trans	149.2	106.3	170.5	0	0	0	0	0	115.1
81	A	39.5	Very low	41.1	Very low	114 Å²	114	112.3 Å²	112.3	94%	0.942	86%	0.857	S	S	*	*			trans	-85.5	151.6	-178.7	0	0	0	0	0	113.4
82	G	43.6	Very low	41.5	Very low	81 Å²	81	112.8 Å²	112.8	84%	0.835	85%	0.849	S	S	*	*			trans	-161.2	109.3	168.9	0	0	0	0	0	111.3
83	N	42.4	Very low	42.3	Very low	147 Å²	147	113.2 Å²	113.2	79%	0.786	84%	0.838	S	S	*	*			trans	-76.7	144.4	-174.2	-131.7	4.7	0	0	0	112.4
84	N	43.8	Very low	42.8	Very low	150 Å²	150	114.6 Å²	114.6	80%	0.802	83%	0.83	S	S	*	*				167.8	135.6	122.8	-83.9	-19.1	0	0	0	114.5
85	N	42	Very low	43.5	Very low	162 Å²	162	117.8 Å²	117.8	87%	0.866	82%	0.82	S	S	*	*			trans	-64.1	143.8	179.8	-66.4	-42.4	0	0	0	114.8
86	S	42.4	Very low	44	Very low	125 Å²	125	123 Å²	123	87%	0.874	81%	0.814	S	S	*	*				-166.6	125.2	128.5	-166	0	0	0	0	110.7
87	A	40	Very low	44.7	Very low	94 Å²	94	125 Å²	125	78%	0.777	81%	0.807	S	S	*	*			trans	-87.7	157.5	175.1	0	0	0	0	0	111.1
88	N	41.6	Very low	45.4	Very low	162 Å²	162	124.1 Å²	124.1	87%	0.866	79%	0.792	S	S	*	*			trans	123.3	136.5	143.7	-147	9.4	0	0	0	116.5
89	S	41.5	Very low	46.1	Very low	115 Å²	115	127.6 Å²	127.6	80%	0.804	78%	0.783	S	S	*	*			trans	89.9	79	172.7	82.4	0	0	0	0	118.8
90	G	40.4	Very low	47.8	Very low	73 Å²	73	129.3 Å²	129.3	75%	0.753	78%	0.777	S	S	*	*			trans	-132	97.2	157.1	0	0	0	0	0	108.9
91	K	47.8	Very low	49.9	Very low	197 Å²	197	129.4 Å²	129.4	86%	0.857	76%	0.764	S	S	*	*	S	Bend	trans	-173.3	2.5	166.8	-107.1	164.4	-169.4	-177	0	117.2
92	N	50.4	Low	52.4	Low	139 Å²	139	128.4 Å²	128.4	74%	0.743	75%	0.746	S	S	*	*			trans	-109.6	8.9	-173.6	-88.1	0.3	0	0	0	117
93	S	54.1	Low	54.7	Low	92 Å²	92	129.5 Å²	129.5	64%	0.643	73%	0.732	S	S	*	*	S	Bend	trans	-86.3	-26.7	-175.1	59.6	0	0	0	0	115.1
94	T	51.3	Low	57.2	Low	115 Å²	115	125.4 Å²	125.4	71%	0.706	71%	0.713	S	S	*	*	S	Bend	trans	-78.6	-26.7	-172.8	36.2	0	0	0	0	114.7
95	H	51.5	Low	59.7	Low	156 Å²	156	124.1 Å²	124.1	72%	0.722	71%	0.706	S	S	*	*	S	Bend	trans	-77.3	-21.6	176.2	-90.5	-71.2	0	0	0	114.1	F97 A98	H95-F97 PolarHBondContact O-N 2.98Å; H95-A98 PolarHBondContact O-N 3.36Å
96	R	50	Low	62.2	Low	195 Å²	195	124 Å²	124	74%	0.736	70%	0.7	S	S	*	*	H	α-helix	trans	-72.8	-22.8	-175.6	-78.2	-171.1	178.9	-177.6	0.4	114.8	T100	R96-T100 PolarHBondContact O-OG1 2.72Å
97	F	55.1	Low	64.7	Low	172 Å²	172	120.7 Å²	120.7	75%	0.754	67%	0.672	S	S	*	*	H	α-helix	trans	-77	-26.1	178.3	-99.2	-84.5	0	0	0	113.3	H95 S101	H95-F97 PolarHBondContact O-N 2.98Å; F97-S101 PolarHBondContact O-OG 3.12Å
98	A	55	Low	67.4	Low	57 Å²	57	120 Å²	120	47%	0.471	66%	0.655	S	S	.	*	H	α-helix	trans	-77.1	-33.8	-176.2	0	0	0	0	0	112.5	H95 S101 V102	H95-A98 PolarHBondContact O-N 3.36Å; A98-S101 PolarHBondContact O-OG 3.41Å; A98-S101 VanDerWaalsContact O-OG 3.11Å; A98-V102 WeakPolarHBondContact O-CG2 3.38Å
99	E	57.5	Low	70.1	Confident	163 Å²	163	117.6 Å²	117.6	76%	0.762	64%	0.638	S	S	*	*	H	α-helix	trans	-80.5	-30	-175.6	-71.5	-177	168.9	0	0	113.5
100	T	72.7	Confident	72.8	Confident	120 Å²	120	118.2 Å²	118.2	74%	0.736	63%	0.627	S	S	*	*	H	α-helix	trans	-83.4	-13.8	179.6	53.9	0	0	0	0	113.7	R96	R96-T100 PolarHBondContact O-OG1 2.72Å
101	S	84.9	Confident	75.5	Confident	88 Å²	88	120.6 Å²	120.6	62%	0.615	61%	0.613	S	S	*	*	H	α-helix	trans	-91.3	-15.1	-178.1	52.4	0	0	0	0	114	F97 A98 I103	F97-S101 PolarHBondContact O-OG 3.12Å; A98-S101 PolarHBondContact O-OG 3.41Å; A98-S101 VanDerWaalsContact O-OG 3.11Å; S101-I103 PolarHBondContact O-N 3Å
102	V	91.4	Very high	77.9	Confident	93 Å²	93	118.8 Å²	118.8	56%	0.564	60%	0.601	S	S	*	*	S	Bend	trans	-72.1	130.9	-179.7	177.2	0	0	0	0	110.4	A98 T104	A98-V102 WeakPolarHBondContact O-CG2 3.38Å; V102-T104 WeakPolarHBondContact O-CG2 3.44Å; V102-T104 PolarHBondContact O-N 3.15Å; V102-T104 VanDerWaalsContact O-N 3.09Å
103	I	93.5	Very high	80.1	Confident	104 Å²	104	119.1 Å²	119.1	53%	0.533	60%	0.596	S	S	.	*			trans	-67.5	108.1	169.4	-61.5	175	0	0	0	108.2	S101 L108 W111	S101-I103 PolarHBondContact O-N 3Å; I103-L108 HydrophobicContact CG2-CD1 4.19Å; I103-L108 HydrophobicContact CG2-CD2 3.67Å; I103-L108 HydrophobicContact CG2-CG 3.71Å; I103-W111 HydrophobicContact CG1-CH2 4.47Å; I103-W111 HydrophobicContact CG2-CH2 4.38Å; I103-W111 HydrophobicContact CG2-CZ3 3.97Å
104	T	93.9	Very high	82.2	Confident	62 Å²	62	119 Å²	119	38%	0.38	59%	0.588	S	S	.	*			trans	-90.7	157.8	-179.8	66.6	0	0	0	0	111.7	V102 Q106 L107 L108	V102-T104 WeakPolarHBondContact O-CG2 3.44Å; V102-T104 PolarHBondContact O-N 3.15Å; V102-T104 VanDerWaalsContact O-N 3.09Å; T104-Q106 PolarHBondContact O-N 3.4Å; T104-L107 WeakPolarHBondContact O-CB 3.29Å; T104-L107 PolarHBondContact O-N 3.05Å; T104-L107 VanDerWaalsContact O-N 3.08Å; T104-L107 PolarHBondContact OG1-N 3.05Å; T104-L108 PolarHBondContact O-N 3.04Å
105	N	96.2	Very high	84.4	Confident	122 Å²	122	117 Å²	117	65%	0.652	57%	0.57	S	S	*	*	H	α-helix	trans	-58.2	-36.1	173.6	-74.2	-26	0	0	0	112.4	L107 L108 E109	N105-L107 VanDerWaalsContact C-N 3.31Å; N105-L107 PolarHBondContact O-N 3Å; N105-L108 PolarHBondContact O-N 3.39Å; N105-E109 WeakPolarHBondContact O-CB 3.16Å; N105-E109 WeakPolarHBondContact O-CG 3.34Å; N105-E109 PolarHBondContact O-N 3.27Å
106	Q	94.4	Very high	86.7	Confident	159 Å²	159	115 Å²	115	74%	0.743	56%	0.557	S	S	*	*	H	α-helix	trans	-61.9	-40.2	175.7	-67	175.6	-2.7	0	0	111.8	T104 K110	T104-Q106 PolarHBondContact O-N 3.4Å; Q106-K110 WeakPolarHBondContact O-CB 3.45Å; Q106-K110 PolarHBondContact O-N 3.37Å
107	L	95.1	Very high	88.9	Confident	57 Å²	57	109.9 Å²	109.9	30%	0.298	55%	0.551	S	S	.	*	H	α-helix	trans	-67.4	-43.9	176.4	-173.5	60.2	0	0	0	111.3	T104 N105 E109 K110 W111	T104-L107 WeakPolarHBondContact O-CB 3.29Å; T104-L107 PolarHBondContact O-N 3.05Å; T104-L107 VanDerWaalsContact O-N 3.08Å; T104-L107 PolarHBondContact OG1-N 3.05Å; N105-L107 VanDerWaalsContact C-N 3.31Å; N105-L107 PolarHBondContact O-N 3Å; L107-E109 PolarHBondContact O-N 2.9Å; L107-K110 WeakPolarHBondContact O-CB 3.23Å; L107-K110 PolarHBondContact O-N 3.44Å; L107-W111 HydrophobicContact CD1-CD2 4.39Å; L107-W111 HydrophobicContact CD1-CZ2 3.71Å; L107-W111 HydrophobicContact CD2-CH2 3.49Å; L107-W111 VanDerWaalsContact CD2-CH2 3.49Å; L107-W111 HydrophobicContact CD2-CZ2 3.38Å; L107-W111 HydrophobicContact CD2-CZ3 4.31Å; L107-W111 HydrophobicContact CG-CD2 4.05Å; L107-W111 HydrophobicContact CG-CE3 4.35Å; L107-W111 HydrophobicContact CG-CH2 3.7Å; L107-W111 HydrophobicContact CG-CZ2 3.36Å; L107-W111 HydrophobicContact CG-CZ3 4.18Å; L107-W111 PolarHBondContact O-N 3.29Å
108	L	97.3	Very high	91	Very high	80 Å²	80	105.3 Å²	105.3	42%	0.419	53%	0.532	S	S	.	.	H	α-helix	trans	-60.8	-42.3	174.8	-69	173.6	0	0	0	112.5	I103 T104 N105 W111 R112	I103-L108 HydrophobicContact CG2-CD1 4.19Å; I103-L108 HydrophobicContact CG2-CD2 3.67Å; I103-L108 HydrophobicContact CG2-CG 3.71Å; T104-L108 PolarHBondContact O-N 3.04Å; N105-L108 PolarHBondContact O-N 3.39Å; L108-W111 HydrophobicContact CD2-CE3 3.89Å; L108-W111 HydrophobicContact CD2-CZ3 3.96Å; L108-W111 PolarHBondContact O-N 3.14Å; L108-R112 VanDerWaalsContact O-CB 3.26Å; L108-R112 WeakPolarHBondContact O-CB 3.39Å; L108-R112 PolarHBondContact O-N 3.3Å
109	E	97.9	Very high	93	Very high	110 Å²	110	107 Å²	107	51%	0.514	54%	0.538	S	S	.	.	H	α-helix	trans	-63.9	-41.2	176.2	-77.8	177.4	-167.3	0	0	112	N105 L107 R112 K113	N105-E109 WeakPolarHBondContact O-CB 3.16Å; N105-E109 WeakPolarHBondContact O-CG 3.34Å; N105-E109 PolarHBondContact O-N 3.27Å; L107-E109 PolarHBondContact O-N 2.9Å; E109-R112 PolarHBondContact O-N 3.38Å; E109-K113 WeakPolarHBondContact O-CB 3.42Å; E109-K113 WeakPolarHBondContact O-CG 3.48Å; E109-K113 PolarHBondContact O-N 2.86Å
110	K	97.5	Very high	94.9	Very high	128 Å²	128	101.3 Å²	101.3	56%	0.557	51%	0.51	S	S	*	.	H	α-helix	trans	-60.7	-49.8	174.5	-178.6	-178.5	177.1	-178.1	0	110.9	Q106 L107 R112 K113 N114	Q106-K110 WeakPolarHBondContact O-CB 3.45Å; Q106-K110 PolarHBondContact O-N 3.37Å; L107-K110 WeakPolarHBondContact O-CB 3.23Å; L107-K110 PolarHBondContact O-N 3.44Å; K110-R112 VanDerWaalsContact C-N 3.35Å; K110-R112 PolarHBondContact O-N 3.08Å; K110-K113 PolarHBondContact O-N 3.42Å; K110-N114 VanDerWaalsContact O-CG 3.3Å; K110-N114 PolarHBondContact O-N 3.47Å; K110-N114 PolarHBondContact O-OD1 3.11Å
111	W	97.6	Very high	96.1	Very high	123 Å²	123	96.9 Å²	96.9	47%	0.466	48%	0.482	S	S	.	.	H	α-helix	trans	-61.8	-42.3	177.7	-64.2	-25.4	0	0	0	112.3	I103 L107 L108 N114 F115	I103-W111 HydrophobicContact CG1-CH2 4.47Å; I103-W111 HydrophobicContact CG2-CH2 4.38Å; I103-W111 HydrophobicContact CG2-CZ3 3.97Å; L107-W111 HydrophobicContact CD1-CD2 4.39Å; L107-W111 HydrophobicContact CD1-CZ2 3.71Å; L107-W111 HydrophobicContact CD2-CH2 3.49Å; L107-W111 VanDerWaalsContact CD2-CH2 3.49Å; L107-W111 HydrophobicContact CD2-CZ2 3.38Å; L107-W111 HydrophobicContact CD2-CZ3 4.31Å; L107-W111 HydrophobicContact CG-CD2 4.05Å; L107-W111 HydrophobicContact CG-CE3 4.35Å; L107-W111 HydrophobicContact CG-CH2 3.7Å; L107-W111 HydrophobicContact CG-CZ2 3.36Å; L107-W111 HydrophobicContact CG-CZ3 4.18Å; L107-W111 PolarHBondContact O-N 3.29Å; L108-W111 HydrophobicContact CD2-CE3 3.89Å; L108-W111 HydrophobicContact CD2-CZ3 3.96Å; L108-W111 PolarHBondContact O-N 3.14Å; W111-N114 PolarHBondContact O-N 3.42Å; W111-F115 WeakPolarHBondContact O-CB 3.44Å; W111-F115 PolarHBondContact O-N 3.39Å
112	R	98	Very high	96.7	Very high	159 Å²	159	95.3 Å²	95.3	60%	0.6	47%	0.467	S	S	*	.	H	α-helix	trans	-57.7	-50.9	175	-176.5	179.6	-70.4	-91.1	0.8	111.1	L108 E109 K110 N114 F115 Y116	L108-R112 VanDerWaalsContact O-CB 3.26Å; L108-R112 WeakPolarHBondContact O-CB 3.39Å; L108-R112 PolarHBondContact O-N 3.3Å; E109-R112 PolarHBondContact O-N 3.38Å; K110-R112 VanDerWaalsContact C-N 3.35Å; K110-R112 PolarHBondContact O-N 3.08Å; R112-N114 PolarHBondContact O-N 2.89Å; R112-F115 PolarHBondContact O-N 2.99Å; R112-Y116 HydrophobicContact CG-CD2 3.65Å; R112-Y116 HydrophobicContact CG-CE2 3.66Å; R112-Y116 WeakPolarHBondContact O-CD2 3.28Å; R112-Y116 PolarHBondContact O-N 2.89Å
113	K	98.3	Very high	97.1	Very high	146 Å²	146	96.4 Å²	96.4	64%	0.635	47%	0.469	S	S	*	.	H	α-helix	trans	-58.7	-46.6	178.3	-75.4	174.7	-178.8	173.3	0	111.6	E109 K110 F115 Y116 S117	E109-K113 WeakPolarHBondContact O-CB 3.42Å; E109-K113 WeakPolarHBondContact O-CG 3.48Å; E109-K113 PolarHBondContact O-N 2.86Å; K110-K113 PolarHBondContact O-N 3.42Å; K113-F115 VanDerWaalsContact C-N 3.32Å; K113-F115 PolarHBondContact O-N 3.15Å; K113-Y116 PolarHBondContact O-N 3.01Å; K113-S117 WeakPolarHBondContact O-CB 3.34Å; K113-S117 PolarHBondContact O-N 3.43Å; K113-S117 PolarHBondContact O-OG 2.97Å
114	N	97.7	Very high	97.3	Very high	91 Å²	91	92 Å²	92	49%	0.487	45%	0.448	S	S	.	.	H	α-helix	trans	-61.7	-39	177.6	-70.1	3.8	0	0	0	112.5	K110 W111 R112 S117	K110-N114 VanDerWaalsContact O-CG 3.3Å; K110-N114 PolarHBondContact O-N 3.47Å; K110-N114 PolarHBondContact O-OD1 3.11Å; W111-N114 PolarHBondContact O-N 3.42Å; R112-N114 PolarHBondContact O-N 2.89Å; N114-S117 WeakPolarHBondContact CA-OG 3.33Å; N114-S117 PolarHBondContact O-OG 3.43Å
115	F	98	Very high	97.5	Very high	72 Å²	72	92.9 Å²	92.9	32%	0.316	45%	0.448	S	S	.	.	H	α-helix	trans	-64.4	-51.5	177.9	-178.4	-87.8	0	0	0	111.4	W111 R112 K113 S117 E118 N121 L122 Q125	W111-F115 WeakPolarHBondContact O-CB 3.44Å; W111-F115 PolarHBondContact O-N 3.39Å; R112-F115 PolarHBondContact O-N 2.99Å; K113-F115 VanDerWaalsContact C-N 3.32Å; K113-F115 PolarHBondContact O-N 3.15Å; F115-S117 VanDerWaalsContact C-N 3.29Å; F115-S117 PolarHBondContact O-N 3.49Å; F115-E118 PolarHBondContact O-N 3.25Å; F115-N121 HydrophobicContact CD2-CB 4.11Å; F115-N121 HydrophobicContact CE1-CB 4.28Å; F115-N121 HydrophobicContact CE2-CB 3.86Å; F115-N121 HydrophobicContact CG-CB 4.44Å; F115-N121 HydrophobicContact CZ-CB 3.94Å; F115-N121 PolarHBondContact O-ND2 3.19Å; F115-L122 HydrophobicContact CE1-CD2 4.27Å; F115-Q125 HydrophobicContact CZ-CB 4.31Å
116	Y	98.1	Very high	97.6	Very high	115 Å²	115	92 Å²	92	45%	0.451	44%	0.443	S	S	.	.	H	α-helix	trans	-74.3	-15.3	-177.8	-73.8	-75.2	0	0	0	113.6	R112 K113 E118 L122	R112-Y116 HydrophobicContact CG-CD2 3.65Å; R112-Y116 HydrophobicContact CG-CE2 3.66Å; R112-Y116 WeakPolarHBondContact O-CD2 3.28Å; R112-Y116 PolarHBondContact O-N 2.89Å; K113-Y116 PolarHBondContact O-N 3.01Å; Y116-E118 VanDerWaalsContact C-N 3.32Å; Y116-L122 HydrophobicContact CD1-CD2 3.45Å; Y116-L122 VanDerWaalsContact CD1-CD2 3.45Å; Y116-L122 HydrophobicContact CE1-CD2 3.75Å; Y116-L122 HydrophobicContact CG-CD2 4.5Å
117	S	97.8	Very high	97.8	Very high	87 Å²	87	87.2 Å²	87.2	61%	0.608	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-14.8	174.7	61.5	0	0	0	0	114	K113 N114 F115 P119	K113-S117 WeakPolarHBondContact O-CB 3.34Å; K113-S117 PolarHBondContact O-N 3.43Å; K113-S117 PolarHBondContact O-OG 2.97Å; N114-S117 WeakPolarHBondContact CA-OG 3.33Å; N114-S117 PolarHBondContact O-OG 3.43Å; F115-S117 VanDerWaalsContact C-N 3.29Å; F115-S117 PolarHBondContact O-N 3.49Å; S117-P119 WeakPolarHBondContact O-CD 3.31Å
118	E	97.4	Very high	97.9	Very high	76 Å²	76	85.9 Å²	85.9	36%	0.355	42%	0.42	S	S	.	.			trans	-101.6	106.4	179.6	176.9	47	-108.9	0	0	110.1	F115 Y116 K120 N121	F115-E118 PolarHBondContact O-N 3.25Å; Y116-E118 VanDerWaalsContact C-N 3.32Å; E118-K120 HydrophobicContact CG-CB 4.14Å; E118-K120 PolarHBondContact O-N 3.48Å; E118-K120 VanDerWaalsContact OE1-CB 3.26Å; E118-K120 WeakPolarHBondContact OE1-CB 3.5Å; E118-K120 PolarHBondContact OE1-N 2.76Å; E118-N121 HydrophobicContact CB-CB 4.29Å; E118-N121 WeakPolarHBondContact CB-ND2 3.44Å; E118-N121 HydrophobicContact CG-CB 4.35Å; E118-N121 WeakPolarHBondContact O-CB 3.4Å; E118-N121 PolarHBondContact O-N 2.83Å
119	P	97.8	Very high	97.9	Very high	93 Å²	93	86.3 Å²	86.3	60%	0.604	43%	0.429	S	S	*	.	H	α-helix	trans	-55.8	-33.6	-179.6	-26.6	35.6	0	0	0	113.8	S117 N121 L122 L123	S117-P119 WeakPolarHBondContact O-CD 3.31Å; P119-N121 VanDerWaalsContact C-N 3.28Å; P119-N121 PolarHBondContact O-N 2.84Å; P119-L122 PolarHBondContact O-N 2.88Å; P119-L122 VanDerWaalsContact O-N 3.16Å; P119-L123 PolarHBondContact O-N 3.25Å
120	K	97.5	Very high	97.9	Very high	42 Å²	42	91.5 Å²	91.5	18%	0.183	44%	0.444	C	S	.	.	H	α-helix	trans	-60.9	-37.5	176.5	-179.3	-85.9	-63.6	168.5	0	111.6	E118 L122 L123 A124 L445 V446 D448	E118-K120 HydrophobicContact CG-CB 4.14Å; E118-K120 PolarHBondContact O-N 3.48Å; E118-K120 VanDerWaalsContact OE1-CB 3.26Å; E118-K120 WeakPolarHBondContact OE1-CB 3.5Å; E118-K120 PolarHBondContact OE1-N 2.76Å; K120-L122 VanDerWaalsContact C-N 3.29Å; K120-L122 PolarHBondContact O-N 2.92Å; K120-L123 WeakPolarHBondContact O-CB 3.27Å; K120-L123 PolarHBondContact O-N 3.32Å; K120-A124 WeakPolarHBondContact O-CB 3.46Å; K120-A124 PolarHBondContact O-N 2.98Å; K120-L445 WeakPolarHBondContact CD-O 3.42Å; K120-V446 PolarHBondContact NZ-O 3.12Å; K120-D448 WeakPolarHBondContact CE-OD1 3.3Å; K120-D448 WeakPolarHBondContact CE-OD2 3.3Å; K120-D448 IonicContact NZ-OD1 2.67Å; K120-D448 PolarHBondContact NZ-OD1 2.76Å; K120-D448 IonicContact NZ-OD2 2.77Å; K120-D448 PolarHBondContact NZ-OD2 2.77Å
121	N	98.2	Very high	97.9	Very high	27 Å²	27	89 Å²	89	14%	0.144	44%	0.439	C	S	.	.	H	α-helix	trans	-63.8	-36.8	177.2	-71.3	-14.8	0	0	0	111.8	F115 E118 P119 Q125	F115-N121 HydrophobicContact CD2-CB 4.11Å; F115-N121 HydrophobicContact CE1-CB 4.28Å; F115-N121 HydrophobicContact CE2-CB 3.86Å; F115-N121 HydrophobicContact CG-CB 4.44Å; F115-N121 HydrophobicContact CZ-CB 3.94Å; F115-N121 PolarHBondContact O-ND2 3.19Å; E118-N121 HydrophobicContact CB-CB 4.29Å; E118-N121 WeakPolarHBondContact CB-ND2 3.44Å; E118-N121 HydrophobicContact CG-CB 4.35Å; E118-N121 WeakPolarHBondContact O-CB 3.4Å; E118-N121 PolarHBondContact O-N 2.83Å; P119-N121 VanDerWaalsContact C-N 3.28Å; P119-N121 PolarHBondContact O-N 2.84Å; N121-Q125 VanDerWaalsContact O-CB 3.22Å; N121-Q125 WeakPolarHBondContact O-CB 3.47Å; N121-Q125 PolarHBondContact O-N 2.95Å
122	L	98	Very high	97.9	Very high	55 Å²	55	87.3 Å²	87.3	29%	0.288	44%	0.439	S	S	.	.	H	α-helix	trans	-70.6	-39.2	175.4	-58.9	176	0	0	0	111.8	F115 Y116 P119 K120 Q125 N126	F115-L122 HydrophobicContact CE1-CD2 4.27Å; Y116-L122 HydrophobicContact CD1-CD2 3.45Å; Y116-L122 VanDerWaalsContact CD1-CD2 3.45Å; Y116-L122 HydrophobicContact CE1-CD2 3.75Å; Y116-L122 HydrophobicContact CG-CD2 4.5Å; P119-L122 PolarHBondContact O-N 2.88Å; P119-L122 VanDerWaalsContact O-N 3.16Å; K120-L122 VanDerWaalsContact C-N 3.29Å; K120-L122 PolarHBondContact O-N 2.92Å; L122-Q125 PolarHBondContact O-N 3.46Å; L122-N126 WeakPolarHBondContact O-CB 3.31Å; L122-N126 PolarHBondContact O-N 3.37Å; L122-N126 PolarHBondContact O-ND2 2.92Å
123	L	98.2	Very high	97.8	Very high	116 Å²	116	82.1 Å²	82.1	61%	0.607	43%	0.426	S	S	*	.	H	α-helix	trans	-58.8	-52.8	172.1	177.6	63.4	0	0	0	110.8	P119 K120 Q125 N126 V127	P119-L123 PolarHBondContact O-N 3.25Å; K120-L123 WeakPolarHBondContact O-CB 3.27Å; K120-L123 PolarHBondContact O-N 3.32Å; L123-Q125 PolarHBondContact O-N 3.33Å; L123-N126 PolarHBondContact O-N 2.86Å; L123-V127 WeakPolarHBondContact O-CG2 3.34Å; L123-V127 PolarHBondContact O-N 3.27Å
124	A	98.2	Very high	97.7	Very high	12 Å²	12	78.9 Å²	78.9	10%	0.099	41%	0.412	C	S	.	.	H	α-helix	trans	-58.3	-44.9	177.6	0	0	0	0	0	111.8	K120 N126 V127 C128 V446	K120-A124 WeakPolarHBondContact O-CB 3.46Å; K120-A124 PolarHBondContact O-N 2.98Å; A124-N126 VanDerWaalsContact C-N 3.33Å; A124-N126 PolarHBondContact O-N 3.45Å; A124-V127 VanDerWaalsContact O-CG2 3.27Å; A124-V127 WeakPolarHBondContact O-CG2 3.42Å; A124-V127 PolarHBondContact O-N 3.41Å; A124-C128 VanDerWaalsContact O-CB 3.31Å; A124-C128 WeakPolarHBondContact O-CB 3.38Å; A124-C128 PolarHBondContact O-N 3.17Å; A124-C128 PolarHBondContact O-SG 3.06Å; A124-V446 HydrophobicContact CB-CG1 3.95Å
125	Q	98.2	Very high	97.6	Very high	81 Å²	81	77.2 Å²	77.2	38%	0.379	40%	0.404	S	S	.	.	H	α-helix	trans	-57.8	-42.8	175.8	177.2	173.7	71.4	0	0	112.4	F115 N121 L122 L123 V127 S129	F115-Q125 HydrophobicContact CZ-CB 4.31Å; N121-Q125 VanDerWaalsContact O-CB 3.22Å; N121-Q125 WeakPolarHBondContact O-CB 3.47Å; N121-Q125 PolarHBondContact O-N 2.95Å; L122-Q125 PolarHBondContact O-N 3.46Å; L123-Q125 PolarHBondContact O-N 3.33Å; Q125-V127 PolarHBondContact O-N 2.91Å; Q125-S129 WeakPolarHBondContact O-CB 3.45Å; Q125-S129 PolarHBondContact O-N 2.82Å; Q125-S129 VanDerWaalsContact O-N 3.16Å; Q125-S129 PolarHBondContact O-OG 3.28Å
126	N	98.4	Very high	97.6	Very high	104 Å²	104	75.8 Å²	75.8	56%	0.556	40%	0.4	S	S	*	.	H	α-helix	trans	-67.5	-33.8	-179	-73.6	-27.2	0	0	0	112.9	L122 L123 A124 S129	L122-N126 WeakPolarHBondContact O-CB 3.31Å; L122-N126 PolarHBondContact O-N 3.37Å; L122-N126 PolarHBondContact O-ND2 2.92Å; L123-N126 PolarHBondContact O-N 2.86Å; A124-N126 VanDerWaalsContact C-N 3.33Å; A124-N126 PolarHBondContact O-N 3.45Å; N126-S129 PolarHBondContact O-OG 2.9Å
127	V	98.1	Very high	97.5	Very high	58 Å²	58	70.4 Å²	70.4	35%	0.352	38%	0.38	S	S	.	.	H	α-helix	trans	-84.8	-47.4	179.2	-63.5	0	0	0	0	112.2	L123 A124 Q125 S129 R130 V131 V136	L123-V127 WeakPolarHBondContact O-CG2 3.34Å; L123-V127 PolarHBondContact O-N 3.27Å; A124-V127 VanDerWaalsContact O-CG2 3.27Å; A124-V127 WeakPolarHBondContact O-CG2 3.42Å; A124-V127 PolarHBondContact O-N 3.41Å; Q125-V127 PolarHBondContact O-N 2.91Å; V127-S129 PolarHBondContact O-N 3.22Å; V127-R130 PolarHBondContact O-N 3.46Å; V127-V131 PolarHBondContact O-N 2.84Å; V127-V136 HydrophobicContact CB-CG1 4.39Å; V127-V136 HydrophobicContact CB-CG2 4.37Å; V127-V136 HydrophobicContact CG2-CG1 3.63Å; V127-V136 HydrophobicContact CG2-CG2 4.35Å
128	C	97.7	Very high	97.5	Very high	29 Å²	29	67.7 Å²	67.7	20%	0.196	36%	0.358	C	S	.	.	H	α-helix	trans	-70.4	-15.9	-177.9	-65.3	0	0	0	0	113.3	A124 R130	A124-C128 VanDerWaalsContact O-CB 3.31Å; A124-C128 WeakPolarHBondContact O-CB 3.38Å; A124-C128 PolarHBondContact O-N 3.17Å; A124-C128 PolarHBondContact O-SG 3.06Å; C128-R130 PolarHBondContact O-N 3.49Å
129	S	98	Very high	97.5	Very high	88 Å²	88	64.6 Å²	64.6	62%	0.615	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-8.6	170.9	56.7	0	0	0	0	113.7	Q125 N126 V127	Q125-S129 WeakPolarHBondContact O-CB 3.45Å; Q125-S129 PolarHBondContact O-N 2.82Å; Q125-S129 VanDerWaalsContact O-N 3.16Å; Q125-S129 PolarHBondContact O-OG 3.28Å; N126-S129 PolarHBondContact O-OG 2.9Å; V127-S129 PolarHBondContact O-N 3.22Å
130	R	97.9	Very high	97.5	Very high	220 Å²	220	67.9 Å²	67.9	83%	0.83	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.8	-21.7	-175.8	-64.2	-174	62.5	118.7	3.9	114.6	V127 C128	V127-R130 PolarHBondContact O-N 3.46Å; C128-R130 PolarHBondContact O-N 3.49Å
131	V	97.4	Very high	97.4	Very high	74 Å²	74	73.2 Å²	73.2	45%	0.448	37%	0.369	S	S	.	.	S	Bend	trans	-131.1	148.5	-174.9	-177.2	0	0	0	0	108.4	V127 D135 V136	V127-V131 PolarHBondContact O-N 2.84Å; V131-D135 HydrophobicContact CG1-CB 4.11Å; V131-V136 HydrophobicContact CB-CG2 3.74Å; V131-V136 HydrophobicContact CG1-CG2 3.84Å
132	D	96.5	Very high	97.3	Very high	88 Å²	88	72.3 Å²	72.3	47%	0.471	37%	0.365	S	S	.	.			trans	-51.5	127.2	175.1	-176.3	-74.7	0	0	0	110.6	F134 D135 V136	D132-F134 VanDerWaalsContact C-N 3.26Å; D132-F134 PolarHBondContact O-N 3.09Å; D132-F134 WeakPolarHBondContact OD1-CA 3.25Å; D132-F134 WeakPolarHBondContact OD1-CB 3.48Å; D132-F134 PolarHBondContact OD1-N 3.11Å; D132-D135 HydrophobicContact CB-CB 4.14Å; D132-D135 PolarHBondContact O-N 2.76Å; D132-D135 VanDerWaalsContact O-N 3.13Å; D132-D135 PolarHBondContact OD1-N 2.69Å; D132-V136 WeakPolarHBondContact O-CG2 3.22Å; D132-V136 PolarHBondContact O-N 3.4Å
133	P	96.7	Very high	97.2	Very high	51 Å²	51	71.9 Å²	71.9	33%	0.331	36%	0.362	S	S	.	.	H	α-helix	trans	-53.3	-35	-179.3	-33.3	39.4	0	0	0	115.5	V136 C137 F447	P133-V136 PolarHBondContact O-N 2.81Å; P133-C137 PolarHBondContact O-N 3.32Å; P133-C137 PolarHBondContact O-SG 2.92Å; P133-F447 HydrophobicContact CB-CZ 4.04Å
134	F	95.7	Very high	97	Very high	77 Å²	77	72.2 Å²	72.2	34%	0.338	36%	0.361	S	S	.	.	H	α-helix	trans	-73.1	-42.8	178.2	-79.4	-126.1	0	0	0	110.2	D132 V136 C137 L138 H441 F443 I451	D132-F134 VanDerWaalsContact C-N 3.26Å; D132-F134 PolarHBondContact O-N 3.09Å; D132-F134 WeakPolarHBondContact OD1-CA 3.25Å; D132-F134 WeakPolarHBondContact OD1-CB 3.48Å; D132-F134 PolarHBondContact OD1-N 3.11Å; F134-V136 VanDerWaalsContact C-N 3.25Å; F134-V136 PolarHBondContact O-N 3.17Å; F134-C137 CarbonylContact O-C 3.59Å; F134-C137 PolarHBondContact O-N 3.34Å; F134-L138 PolarHBondContact O-N 3.27Å; F134-L138 VanDerWaalsContact O-N 3.12Å; F134-H441 PolarHBondContact O-CD2 3.22Å; F134-H441 VanDerWaalsContact O-CD2 3.28Å; F134-F443 HydrophobicContact CD1-CE1 4.07Å; F134-F443 AromaticContact CD1-CZ 3.67Å; F134-F443 HydrophobicContact CD1-CZ 3.67Å; F134-F443 HydrophobicContact CD2-CE1 4.06Å; F134-F443 HydrophobicContact CD2-CZ 4.44Å; F134-F443 HydrophobicContact CE1-CE1 4.11Å; F134-F443 AromaticContact CE1-CZ 3.54Å; F134-F443 HydrophobicContact CE1-CZ 3.54Å; F134-F443 HydrophobicContact CE2-CE1 4.09Å; F134-F443 HydrophobicContact CE2-CZ 4.32Å; F134-F443 HydrophobicContact CG-CE1 4.03Å; F134-F443 HydrophobicContact CG-CZ 4.12Å; F134-F443 HydrophobicContact CZ-CE1 4.11Å; F134-F443 AromaticContact CZ-CZ 3.88Å; F134-F443 HydrophobicContact CZ-CZ 3.88Å; F134-I451 HydrophobicContact CZ-CD1 3.99Å
135	D	96	Very high	96.9	Very high	57 Å²	57	76.1 Å²	76.1	31%	0.305	38%	0.383	S	S	.	.	H	α-helix	trans	-59.4	-37	173.6	-82.3	-12.1	0	0	0	111.5	V131 D132 L138 K432	V131-D135 HydrophobicContact CG1-CB 4.11Å; D132-D135 HydrophobicContact CB-CB 4.14Å; D132-D135 PolarHBondContact O-N 2.76Å; D132-D135 VanDerWaalsContact O-N 3.13Å; D132-D135 PolarHBondContact OD1-N 2.69Å; D135-L138 WeakPolarHBondContact O-CB 3.46Å; D135-L138 PolarHBondContact O-N 2.87Å; D135-K432 IonicContact OD1-NZ 3.17Å; D135-K432 IonicContact OD2-NZ 3.74Å; D135-K432 PolarHBondContact OD2-NZ 3.18Å
136	V	97.2	Very high	96.8	Very high	41 Å²	41	73.6 Å²	73.6	25%	0.248	37%	0.374	C	S	.	.	H	α-helix	trans	-65.4	-39.3	173.7	173	0	0	0	0	111.7	V127 V131 D132 P133 F134 L138 V446	V127-V136 HydrophobicContact CB-CG1 4.39Å; V127-V136 HydrophobicContact CB-CG2 4.37Å; V127-V136 HydrophobicContact CG2-CG1 3.63Å; V127-V136 HydrophobicContact CG2-CG2 4.35Å; V131-V136 HydrophobicContact CB-CG2 3.74Å; V131-V136 HydrophobicContact CG1-CG2 3.84Å; D132-V136 WeakPolarHBondContact O-CG2 3.22Å; D132-V136 PolarHBondContact O-N 3.4Å; P133-V136 PolarHBondContact O-N 2.81Å; F134-V136 VanDerWaalsContact C-N 3.25Å; F134-V136 PolarHBondContact O-N 3.17Å; V136-L138 PolarHBondContact O-N 3.14Å; V136-V446 HydrophobicContact CG1-CG1 4.4Å; V136-V446 HydrophobicContact CG1-CG2 4.39Å
137	C	97.7	Very high	96.6	Very high	2 Å²	2	72.3 Å²	72.3	1%	0.014	37%	0.367	C	S	.	.	H	α-helix	trans	-75	-8.7	179.3	-72	0	0	0	0	113.7	P133 F134 S139 H441 D442 F443 V446 F447	P133-C137 PolarHBondContact O-N 3.32Å; P133-C137 PolarHBondContact O-SG 2.92Å; F134-C137 CarbonylContact O-C 3.59Å; F134-C137 PolarHBondContact O-N 3.34Å; C137-S139 PolarHBondContact O-N 3.15Å; C137-H441 HydrophobicContact CB-CB 4.16Å; C137-H441 CarbonylContact O-C 3.46Å; C137-H441 VanDerWaalsContact O-CA 3.27Å; C137-H441 WeakPolarHBondContact O-CA 3.43Å; C137-D442 PolarHBondContact O-N 2.81Å; C137-F443 HydrophobicContact CB-CD1 3.79Å; C137-F443 HydrophobicContact CB-CE1 3.87Å; C137-F443 WeakPolarHBondContact SG-CD1 3.27Å; C137-V446 VanDerWaalsContact SG-CG2 3.54Å; C137-F447 VanDerWaalsContact SG-CE2 3.54Å
138	L	97.6	Very high	96.4	Very high	31 Å²	31	71.2 Å²	71.2	16%	0.162	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-56.9	122.2	-178.1	-74.9	173.7	0	0	0	112	F134 D135 V136 R140 A430 V440 H441	F134-L138 PolarHBondContact O-N 3.27Å; F134-L138 VanDerWaalsContact O-N 3.12Å; D135-L138 WeakPolarHBondContact O-CB 3.46Å; D135-L138 PolarHBondContact O-N 2.87Å; V136-L138 PolarHBondContact O-N 3.14Å; L138-R140 PolarHBondContact O-N 3.27Å; L138-A430 HydrophobicContact CD2-CB 3.49Å; L138-A430 VanDerWaalsContact CD2-CB 3.49Å; L138-V440 WeakPolarHBondContact CA-O 3.26Å; L138-V440 HydrophobicContact CD2-CG2 4.41Å; L138-H441 WeakPolarHBondContact CD2-NE2 3.46Å
139	S	97.6	Very high	96.4	Very high	11 Å²	11	74.8 Å²	74.8	8%	0.077	38%	0.379	C	S	.	.			trans	-74.3	112.6	-179.1	-169.8	0	0	0	0	110.5	C137 K141 A142 L143 V440 D442	C137-S139 PolarHBondContact O-N 3.15Å; S139-K141 PolarHBondContact O-N 3.47Å; S139-A142 PolarHBondContact O-N 3.26Å; S139-A142 VanDerWaalsContact O-N 3.14Å; S139-L143 WeakPolarHBondContact O-CG 3.38Å; S139-L143 PolarHBondContact O-N 3.22Å; S139-L143 VanDerWaalsContact O-N 3.13Å; S139-V440 PolarHBondContact N-O 3.13Å; S139-D442 WeakPolarHBondContact CA-OD2 3.47Å; S139-D442 WeakPolarHBondContact CB-OD2 3.45Å; S139-D442 PolarHBondContact OG-OD2 3.29Å
140	R	96.8	Very high	96.3	Very high	161 Å²	161	72 Å²	72	61%	0.608	36%	0.355	S	S	*	.	H	α-helix	trans	-56.6	-36.4	175.9	179.7	59.7	-174.6	175.3	9.6	111.8	L138 L143 E144	L138-R140 PolarHBondContact O-N 3.27Å; R140-L143 PolarHBondContact O-N 3.45Å; R140-E144 HydrophobicContact CG-CG 4.48Å; R140-E144 IonicContact CZ-OE1 2.71Å; R140-E144 VanDerWaalsContact CZ-OE1 3.23Å; R140-E144 IonicContact NE-OE1 2.73Å; R140-E144 PolarHBondContact NE-OE1 3.19Å; R140-E144 IonicContact NH2-OE1 2.9Å; R140-E144 PolarHBondContact NH2-OE1 3.36Å; R140-E144 WeakPolarHBondContact O-CG 3.35Å; R140-E144 PolarHBondContact O-N 3.32Å
141	K	96.2	Very high	96.3	Very high	155 Å²	155	65.6 Å²	65.6	67%	0.674	34%	0.338	S	S	*	.	H	α-helix	trans	-62.4	-48.4	177.4	-177.1	-176.4	174.9	-168.7	0	111	S139 L143 E144 T145	S139-K141 PolarHBondContact O-N 3.47Å; K141-L143 VanDerWaalsContact C-N 3.28Å; K141-L143 PolarHBondContact O-N 3.44Å; K141-E144 PolarHBondContact O-N 3.23Å; K141-E144 VanDerWaalsContact O-N 3.11Å; K141-T145 PolarHBondContact O-N 3.29Å; K141-T145 PolarHBondContact O-OG1 2.99Å
142	A	95.6	Very high	96.3	Very high	7 Å²	7	67.1 Å²	67.1	6%	0.058	34%	0.336	C	S	.	.	H	α-helix	trans	-59.1	-40.8	177.7	0	0	0	0	0	111.6	S139 E144 T145 T146 V440	S139-A142 PolarHBondContact O-N 3.26Å; S139-A142 VanDerWaalsContact O-N 3.14Å; A142-E144 VanDerWaalsContact C-N 3.35Å; A142-E144 PolarHBondContact O-N 2.94Å; A142-T145 PolarHBondContact O-OG1 3.02Å; A142-T146 WeakPolarHBondContact O-CB 3.47Å; A142-T146 PolarHBondContact O-N 3.28Å; A142-T146 VanDerWaalsContact O-N 3.08Å; A142-T146 PolarHBondContact O-OG1 2.84Å; A142-V440 HydrophobicContact CB-CG2 4.44Å
143	L	94.8	Very high	96.2	Very high	46 Å²	46	68 Å²	68	24%	0.241	34%	0.336	C	S	.	.	H	α-helix	trans	-63	-38.6	175.4	-62	-177	0	0	0	112.8	S139 R140 K141 Q433 I435	S139-L143 WeakPolarHBondContact O-CG 3.38Å; S139-L143 PolarHBondContact O-N 3.22Å; S139-L143 VanDerWaalsContact O-N 3.13Å; R140-L143 PolarHBondContact O-N 3.45Å; K141-L143 VanDerWaalsContact C-N 3.28Å; K141-L143 PolarHBondContact O-N 3.44Å; L143-Q433 HydrophobicContact CD2-CB 4.23Å; L143-Q433 HydrophobicContact CD2-CG 3.91Å; L143-I435 HydrophobicContact CD2-CD1 3.62Å
144	E	95.9	Very high	96.1	Very high	123 Å²	123	65.8 Å²	65.8	58%	0.575	32%	0.321	S	S	*	.	H	α-helix	trans	-76.1	-31.1	-178.2	-74.1	176.1	167.5	0	0	113.3	R140 K141 A142	R140-E144 HydrophobicContact CG-CG 4.48Å; R140-E144 IonicContact CZ-OE1 2.71Å; R140-E144 VanDerWaalsContact CZ-OE1 3.23Å; R140-E144 IonicContact NE-OE1 2.73Å; R140-E144 PolarHBondContact NE-OE1 3.19Å; R140-E144 IonicContact NH2-OE1 2.9Å; R140-E144 PolarHBondContact NH2-OE1 3.36Å; R140-E144 WeakPolarHBondContact O-CG 3.35Å; R140-E144 PolarHBondContact O-N 3.32Å; K141-E144 PolarHBondContact O-N 3.23Å; K141-E144 VanDerWaalsContact O-N 3.11Å; A142-E144 VanDerWaalsContact C-N 3.35Å; A142-E144 PolarHBondContact O-N 2.94Å
145	T	94.8	Very high	95.9	Very high	94 Å²	94	69 Å²	69	58%	0.577	34%	0.337	S	S	*	.	H	α-helix	trans	-89.5	-17.5	-179.1	54.7	0	0	0	0	113.5	K141 A142	K141-T145 PolarHBondContact O-N 3.29Å; K141-T145 PolarHBondContact O-OG1 2.99Å; A142-T145 PolarHBondContact O-OG1 3.02Å
146	T	95.5	Very high	95.6	Very high	29 Å²	29	69.1 Å²	69.1	18%	0.178	34%	0.34	C	S	.	.			trans	-81.7	134.1	-178.9	-63.3	0	0	0	0	111.8	A142 I435 V505	A142-T146 WeakPolarHBondContact O-CB 3.47Å; A142-T146 PolarHBondContact O-N 3.28Å; A142-T146 VanDerWaalsContact O-N 3.08Å; A142-T146 PolarHBondContact O-OG1 2.84Å; T146-I435 HydrophobicContact CG2-CD1 3.8Å; T146-I435 HydrophobicContact CG2-CG1 3.84Å; T146-I435 HydrophobicContact CG2-CG2 4.04Å; T146-V505 HydrophobicContact CG2-CB 4.43Å; T146-V505 HydrophobicContact CG2-CG1 3.28Å; T146-V505 HydrophobicContact CG2-CG2 4.35Å
147	N	94.6	Very high	95.4	Very high	77 Å²	77	68.4 Å²	68.4	41%	0.412	33%	0.334	S	S	.	.			trans	-143	150.9	175.2	64.3	80	0	0	0	110.7	V149 K487	N147-V149 VanDerWaalsContact C-N 3.27Å; N147-V149 PolarHBondContact O-N 3.33Å; N147-V149 WeakPolarHBondContact OD1-CB 3.3Å; N147-V149 PolarHBondContact OD1-N 2.92Å; N147-K487 PolarHBondContact O-NZ 3.39Å; N147-K487 PolarHBondContact OD1-NZ 2.76Å
148	H	94.9	Very high	95.2	Very high	34 Å²	34	68.4 Å²	68.4	16%	0.157	34%	0.335	C	S	.	.			trans	-91.6	38.1	178.8	-63.7	-100.3	0	0	0	112.9	F150 E500	H148-F150 HydrophobicContact CB-CE2 4.09Å; H148-F150 WeakPolarHBondContact O-CD2 3.47Å; H148-F150 WeakPolarHBondContact O-CE2 3.4Å; H148-E500 WeakPolarHBondContact CB-OE2 3.46Å; H148-E500 IonicContact CD2-OE2 3.39Å; H148-E500 PolarHBondContact CD2-OE2 3.26Å; H148-E500 IonicContact CG-OE2 2.72Å
149	V	96.3	Very high	95.1	Very high	104 Å²	104	73 Å²	73	63%	0.63	35%	0.353	S	S	*	.			trans	-104.1	130.4	174.5	-174.3	0	0	0	0	110.2	N147 K487	N147-V149 VanDerWaalsContact C-N 3.27Å; N147-V149 PolarHBondContact O-N 3.33Å; N147-V149 WeakPolarHBondContact OD1-CB 3.3Å; N147-V149 PolarHBondContact OD1-N 2.92Å; V149-K487 WeakPolarHBondContact O-CE 3.34Å; V149-K487 PolarHBondContact O-NZ 3.21Å
150	F	97.7	Very high	95.1	Very high	30 Å²	30	74.5 Å²	74.5	13%	0.132	36%	0.363	C	S	.	.			trans	-128.6	145.2	-173.5	-55	-89.7	0	0	0	110.8	H148 A476 S478 K487 L488 R489 V505	H148-F150 HydrophobicContact CB-CE2 4.09Å; H148-F150 WeakPolarHBondContact O-CD2 3.47Å; H148-F150 WeakPolarHBondContact O-CE2 3.4Å; F150-A476 HydrophobicContact CB-CB 3.64Å; F150-A476 HydrophobicContact CD1-CB 4.19Å; F150-A476 HydrophobicContact CD2-CB 4.08Å; F150-A476 HydrophobicContact CG-CB 3.7Å; F150-S478 WeakPolarHBondContact CA-OG 3.4Å; F150-K487 HydrophobicContact CD1-CG 4.28Å; F150-K487 HydrophobicContact CE1-CD 4.1Å; F150-K487 HydrophobicContact CE1-CG 4.06Å; F150-L488 WeakPolarHBondContact CE1-O 3.48Å; F150-R489 HydrophobicContact CD1-CB 4.09Å; F150-R489 HydrophobicContact CD2-CB 3.85Å; F150-R489 HydrophobicContact CD2-CG 4.22Å; F150-R489 HydrophobicContact CE1-CB 3.76Å; F150-R489 HydrophobicContact CE2-CB 3.49Å; F150-R489 VanDerWaalsContact CE2-CB 3.49Å; F150-R489 HydrophobicContact CE2-CG 3.66Å; F150-R489 HydrophobicContact CG-CB 4.14Å; F150-R489 HydrophobicContact CZ-CB 3.44Å; F150-R489 VanDerWaalsContact CZ-CB 3.44Å; F150-R489 HydrophobicContact CZ-CG 3.94Å; F150-V505 HydrophobicContact CE1-CG2 4.15Å; F150-V505 HydrophobicContact CZ-CB 4.17Å; F150-V505 HydrophobicContact CZ-CG2 3.9Å
151	N	96.5	Very high	95.1	Very high	86 Å²	86	67.9 Å²	67.9	46%	0.46	34%	0.34	S	S	.	.	S	Bend	trans	-90.2	-16.5	-177.2	67.1	10.3	0	0	0	114.6	V477 S478 V479	N151-V477 PolarHBondContact OD1-O 3.39Å; N151-V477 VanDerWaalsContact OD1-O 3.06Å; N151-S478 PolarHBondContact N-OG 3.2Å; N151-S478 VanDerWaalsContact OD1-CA 3.22Å; N151-S478 WeakPolarHBondContact OD1-CA 3.32Å; N151-V479 PolarHBondContact ND2-N 3.37Å; N151-V479 PolarHBondContact ND2-O 2.98Å; N151-V479 PolarHBondContact OD1-N 2.98Å
152	Y	97	Very high	95.3	Very high	106 Å²	106	60.5 Å²	60.5	42%	0.416	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	132.9	165.2	-64.5	-83	0	0	0	109.4	K414 A476 V477 V479	Y152-K414 HydrophobicContact CD1-CG 3.91Å; Y152-K414 HydrophobicContact CD2-CG 4.24Å; Y152-K414 HydrophobicContact CE1-CG 4.27Å; Y152-K414 HydrophobicContact CG-CG 3.89Å; Y152-A476 CarbonylContact O-C 3.51Å; Y152-A476 VanDerWaalsContact O-CA 3.24Å; Y152-A476 WeakPolarHBondContact O-CA 3.33Å; Y152-A476 VanDerWaalsContact O-CB 3.23Å; Y152-A476 WeakPolarHBondContact O-CB 3.36Å; Y152-V477 PolarHBondContact N-O 3.35Å; Y152-V477 PolarHBondContact O-N 2.86Å; Y152-V477 VanDerWaalsContact O-O 3.1Å; Y152-V479 HydrophobicContact CD2-CG2 3.86Å; Y152-V479 HydrophobicContact CE2-CG2 3.46Å; Y152-V479 VanDerWaalsContact CE2-CG2 3.46Å
153	K	95.1	Very high	95.4	Very high	106 Å²	106	61.8 Å²	61.8	46%	0.461	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	144.8	-178.7	-171.6	176	179.5	173.4	0	109	E157 A476	K153-E157 WeakPolarHBondContact CE-OE1 3.26Å; K153-E157 WeakPolarHBondContact CE-OE2 3.35Å; K153-E157 IonicContact NZ-OE1 3.21Å; K153-E157 IonicContact NZ-OE2 3.23Å; K153-E157 PolarHBondContact NZ-OE2 3.04Å; K153-A476 HydrophobicContact CB-CB 3.95Å; K153-A476 HydrophobicContact CG-CB 3.86Å
154	V	94.9	Very high	95.5	Very high	5 Å²	5	60.1 Å²	60.1	3%	0.03	31%	0.305	C	S	.	.			trans	-58.1	147.8	169	-60.7	0	0	0	0	110.1	T156 E157 L181 L413 A418 T475	V154-T156 WeakPolarHBondContact CG2-O 3.45Å; V154-T156 PolarHBondContact O-N 3.48Å; V154-E157 HydrophobicContact CG2-CG 4.29Å; V154-L181 HydrophobicContact CG2-CD1 4.31Å; V154-L413 HydrophobicContact CG1-CD2 4.21Å; V154-A418 HydrophobicContact CG1-CB 4.28Å; V154-T475 WeakPolarHBondContact CG1-O 3.33Å; V154-T475 WeakPolarHBondContact CG2-O 3.14Å; V154-T475 PolarHBondContact N-O 3.38Å
155	E	91	Very high	95.6	Very high	143 Å²	143	61 Å²	61	67%	0.668	30%	0.303	S	S	*	.	S	Bend	trans	-58.6	-35.2	-172	-175.5	-179.2	176.1	0	0	113.1	K185	E155-K185 IonicContact OE1-NZ 2.66Å; E155-K185 WeakPolarHBondContact OE2-CE 3.04Å; E155-K185 IonicContact OE2-NZ 3.66Å; E155-K185 PolarHBondContact OE2-NZ 2.63Å
156	T	89.4	Confident	95.7	Very high	60 Å²	60	60.2 Å²	60.2	37%	0.368	30%	0.302	S	S	.	.			trans	-141.8	134.8	178.2	-61.2	0	0	0	0	109.8	V154	V154-T156 WeakPolarHBondContact CG2-O 3.45Å; V154-T156 PolarHBondContact O-N 3.48Å
157	E	93.8	Very high	95.8	Very high	26 Å²	26	59.4 Å²	59.4	12%	0.121	30%	0.297	C	S	.	.			trans	-91.8	150.1	170.3	-75.9	-172.7	148.7	0	0	110.7	K153 V154 T475 R489 Y503	K153-E157 WeakPolarHBondContact CE-OE1 3.26Å; K153-E157 WeakPolarHBondContact CE-OE2 3.35Å; K153-E157 IonicContact NZ-OE1 3.21Å; K153-E157 IonicContact NZ-OE2 3.23Å; K153-E157 PolarHBondContact NZ-OE2 3.04Å; V154-E157 HydrophobicContact CG2-CG 4.29Å; E157-T475 WeakPolarHBondContact OE1-CB 3.36Å; E157-T475 PolarHBondContact OE1-OG1 2.94Å; E157-R489 VanDerWaalsContact OE1-CD 3.24Å; E157-R489 WeakPolarHBondContact OE1-CD 3.29Å; E157-R489 IonicContact OE1-CZ 3.61Å; E157-R489 IonicContact OE1-NE 3.81Å; E157-R489 PolarHBondContact OE1-NE 3.01Å; E157-R489 IonicContact OE1-NH2 3.52Å; E157-R489 IonicContact OE2-CZ 3.83Å; E157-R489 IonicContact OE2-NE 3.73Å; E157-R489 PolarHBondContact OE2-NE 3.15Å; E157-R489 IonicContact OE2-NH2 3.7Å; E157-R489 PolarHBondContact OE2-NH2 3.24Å; E157-Y503 WeakPolarHBondContact CB-OH 3.16Å; E157-Y503 VanDerWaalsContact CD-CE1 3.46Å; E157-Y503 HydrophobicContact CG-CE1 4.26Å; E157-Y503 WeakPolarHBondContact OE1-CE1 3.22Å
158	G	93	Very high	95.9	Very high	2 Å²	2	56.4 Å²	56.4	2%	0.021	29%	0.285	C	S	.	.			trans	-66.8	141.2	-174.8	0	0	0	0	0	112.4	L181	G158-L181 VanDerWaalsContact N-CD2 3.3Å
159	K	96.4	Very high	96.1	Very high	128 Å²	128	54.8 Å²	54.8	56%	0.557	28%	0.277	S	S	*	.	S	Bend	trans	-133.5	140.6	175.5	-65.2	-178.3	-176.1	177.1	0	110.6	M184 E191 F192	K159-M184 HydrophobicContact CB-CE 4.5Å; K159-E191 HydrophobicContact CB-CG 4.12Å; K159-E191 CarbonylContact O-C 3.53Å; K159-E191 VanDerWaalsContact O-CA 3.26Å; K159-E191 WeakPolarHBondContact O-CA 3.41Å; K159-F192 PolarHBondContact O-N 2.87Å
160	P	97.3	Very high	96.2	Very high	42 Å²	42	49.9 Å²	49.9	27%	0.273	25%	0.247	S	C	.	.	S	Bend	cis	-67.3	169.6	-12.2	31.8	-37.5	0	0	0	112	R180 E193	P160-R180 PolarHBondContact O-NH1 2.91Å; P160-R180 PolarHBondContact O-NH2 3.33Å; P160-E193 HydrophobicContact CG-CG 4.45Å
161	V	97.5	Very high	96.2	Very high	22 Å²	22	48.5 Å²	48.5	13%	0.133	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-66.5	137.6	166.8	173.2	0	0	0	0	109.1	E496 K501 Y503	V161-E496 HydrophobicContact CB-CG 3.7Å; V161-E496 HydrophobicContact CG1-CG 4.3Å; V161-E496 HydrophobicContact CG2-CG 4.1Å; V161-K501 WeakPolarHBondContact CG2-O 3.46Å; V161-Y503 HydrophobicContact CG2-CE2 3.88Å
162	T	98.4	Very high	96.3	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.006	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-89.1	158.5	-172	62.2	0	0	0	0	111.9	F173 N177 E193 S493 W494 G495	T162-F173 HydrophobicContact CG2-CD1 4.49Å; T162-F173 WeakPolarHBondContact OG1-CD1 3.39Å; T162-N177 WeakPolarHBondContact CG2-OD1 3.33Å; T162-N177 PolarHBondContact OG1-ND2 3.35Å; T162-N177 VanDerWaalsContact OG1-ND2 3.13Å; T162-N177 PolarHBondContact OG1-OD1 3.35Å; T162-E193 HydrophobicContact CG2-CG 4.07Å; T162-E193 VanDerWaalsContact CG2-OE1 3.27Å; T162-E193 WeakPolarHBondContact CG2-OE1 3.4Å; T162-S493 CarbonylContact O-C 3.51Å; T162-S493 VanDerWaalsContact O-C 3.24Å; T162-S493 WeakPolarHBondContact O-CA 3.36Å; T162-W494 PolarHBondContact O-N 3.13Å; T162-G495 PolarHBondContact O-N 2.94Å
163	N	98.3	Very high	96.4	Very high	34 Å²	34	39.3 Å²	39.3	18%	0.182	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-141.7	111	-179.3	-164.8	-21.1	0	0	0	111	R165 S493 W494	N163-R165 VanDerWaalsContact C-N 3.26Å; N163-R165 PolarHBondContact O-N 3.17Å; N163-R165 PolarHBondContact OD1-N 3.03Å; N163-S493 CarbonylContact C-O 3.6Å; N163-S493 VanDerWaalsContact CA-O 3.3Å; N163-S493 WeakPolarHBondContact CA-O 3.27Å; N163-W494 PolarHBondContact ND2-O 3.32Å
164	Q	97.6	Very high	96.6	Very high	11 Å²	11	34.3 Å²	34.3	5%	0.051	18%	0.178	C	C	.	.			trans	-76.9	-12.8	178.4	78.2	-169.1	60.8	0	0	113.4	S167 F173 S493	Q164-S167 PolarHBondContact NE2-O 2.85Å; Q164-S167 PolarHBondContact O-OG 2.79Å; Q164-F173 HydrophobicContact CB-CD1 4.44Å; Q164-F173 HydrophobicContact CB-CD2 3.73Å; Q164-F173 HydrophobicContact CB-CE1 4.34Å; Q164-F173 HydrophobicContact CB-CE2 3.6Å; Q164-F173 HydrophobicContact CB-CG 4.16Å; Q164-F173 HydrophobicContact CB-CZ 3.94Å; Q164-S493 PolarHBondContact N-O 2.84Å; Q164-S493 PolarHBondContact OE1-OG 3.14Å
165	R	97.6	Very high	96.7	Very high	141 Å²	141	34.1 Å²	34.1	53%	0.532	18%	0.176	S	C	.	.			trans	53.7	-139.3	-176.5	-58.9	-69.4	-167.4	-179.3	-0.9	111.5	N163 S167 E269	N163-R165 VanDerWaalsContact C-N 3.26Å; N163-R165 PolarHBondContact O-N 3.17Å; N163-R165 PolarHBondContact OD1-N 3.03Å; R165-S167 VanDerWaalsContact C-N 3.27Å; R165-S167 PolarHBondContact O-N 3.42Å; R165-S167 VanDerWaalsContact O-N 3.13Å; R165-E269 HydrophobicContact CB-CB 3.79Å; R165-E269 HydrophobicContact CB-CG 4.22Å; R165-E269 VanDerWaalsContact CB-O 3.31Å; R165-E269 WeakPolarHBondContact CB-O 3.31Å; R165-E269 HydrophobicContact CG-CB 3.92Å; R165-E269 HydrophobicContact CG-CG 3.88Å
166	S	97.1	Very high	97.1	Very high	78 Å²	78	27.4 Å²	27.4	55%	0.545	15%	0.145	S	C	.	.	B	Isolated β-bridge	trans	-88.7	60.8	-178.3	-58.5	0	0	0	0	111.2	E269 S270 S271	S166-E269 CarbonylContact C-O 3.57Å; S166-E269 WeakPolarHBondContact CA-O 3.3Å; S166-E269 WeakPolarHBondContact CB-O 3.42Å; S166-E269 PolarHBondContact N-O 3.02Å; S166-S270 WeakPolarHBondContact O-CA 3.47Å; S166-S271 PolarHBondContact O-N 3.43Å
167	S	97.5	Very high	97.6	Very high	11 Å²	11	24.6 Å²	24.6	8%	0.077	13%	0.128	C	C	.	.	S	Bend	trans	-143.4	153.3	174.2	70	0	0	0	0	111.1	Q164 R165 R169 C268	Q164-S167 PolarHBondContact NE2-O 2.85Å; Q164-S167 PolarHBondContact O-OG 2.79Å; R165-S167 VanDerWaalsContact C-N 3.27Å; R165-S167 PolarHBondContact O-N 3.42Å; R165-S167 VanDerWaalsContact O-N 3.13Å; S167-R169 PolarHBondContact O-N 3.42Å; S167-R169 PolarHBondContact OG-NE 3Å; S167-C268 VanDerWaalsContact CB-O 3.26Å; S167-C268 WeakPolarHBondContact CB-O 3.41Å; S167-C268 PolarHBondContact OG-O 3.41Å
168	G	97.3	Very high	97.8	Very high	15 Å²	15	23.5 Å²	23.5	16%	0.155	12%	0.123	C	C	.	.	S	Bend	trans	-84.6	32.7	178.8	0	0	0	0	0	113.9	C170 D240 A550	G168-C170 VanDerWaalsContact C-N 3.34Å; G168-C170 PolarHBondContact O-N 3.16Å; G168-D240 PolarHBondContact N-OD2 3.3Å; G168-D240 VanDerWaalsContact N-OD2 3.12Å; G168-D240 CarbonylContact O-C 3.46Å; G168-A550 VanDerWaalsContact O-CB 3.31Å; G168-A550 WeakPolarHBondContact O-CB 3.23Å
169	R	98.3	Very high	98	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.123	C	C	.	.			trans	-89	13.1	-169.5	-64.2	-176.7	-64	153.7	-1.8	114.6	S167 W171 L172 F173 F200 E264 C268	S167-R169 PolarHBondContact O-N 3.42Å; S167-R169 PolarHBondContact OG-NE 3Å; R169-W171 VanDerWaalsContact C-N 3.27Å; R169-W171 PolarHBondContact O-N 3.38Å; R169-W171 VanDerWaalsContact O-N 3.17Å; R169-L172 HydrophobicContact CB-CD1 4.38Å; R169-L172 HydrophobicContact CG-CD1 4.39Å; R169-L172 WeakPolarHBondContact O-CB 3.38Å; R169-L172 PolarHBondContact O-N 2.84Å; R169-F173 HydrophobicContact CB-CD2 3.82Å; R169-F173 HydrophobicContact CB-CE2 3.88Å; R169-F173 WeakPolarHBondContact O-CD2 3.27Å; R169-F173 PolarHBondContact O-N 2.88Å; R169-F200 VanDerWaalsContact CD-CG 3.4Å; R169-F200 HydrophobicContact CG-CD2 3.79Å; R169-F200 HydrophobicContact CG-CE2 4.02Å; R169-F200 HydrophobicContact CG-CG 4.18Å; R169-E264 IonicContact CZ-OE1 2.97Å; R169-E264 IonicContact CZ-OE2 3.45Å; R169-E264 VanDerWaalsContact CZ-OE2 3.26Å; R169-E264 VanDerWaalsContact NH1-CD 3.34Å; R169-E264 IonicContact NH1-OE1 2.65Å; R169-E264 PolarHBondContact NH1-OE1 3.09Å; R169-E264 IonicContact NH1-OE2 2.9Å; R169-E264 PolarHBondContact NH1-OE2 3.5Å; R169-E264 IonicContact NH2-OE1 2.74Å; R169-E264 IonicContact NH2-OE2 2.84Å; R169-E264 PolarHBondContact NH2-OE2 3.16Å; R169-C268 PolarHBondContact NE-O 2.63Å; R169-C268 PolarHBondContact NH2-O 3.22Å
170	C	98.2	Very high	98.1	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-55.7	-38.4	-171.3	59	0	0	0	0	113.9	G168 L172 F173 A174 H470 A471 L549 A550	G168-C170 VanDerWaalsContact C-N 3.34Å; G168-C170 PolarHBondContact O-N 3.16Å; C170-L172 PolarHBondContact O-N 3.2Å; C170-F173 PolarHBondContact O-N 2.91Å; C170-A174 VanDerWaalsContact O-CB 3.27Å; C170-A174 WeakPolarHBondContact O-CB 3.5Å; C170-A174 PolarHBondContact O-N 2.83Å; C170-H470 WeakPolarHBondContact CB-CE1 3.37Å; C170-H470 WeakPolarHBondContact CB-ND1 3.31Å; C170-H470 PolarHBondContact SG-ND1 3.3Å; C170-A471 PolarHBondContact SG-N 3.04Å; C170-A471 VanDerWaalsContact SG-N 3.36Å; C170-L549 VanDerWaalsContact SG-CD2 3.58Å; C170-A550 VanDerWaalsContact SG-CB 3.52Å
171	W	98.4	Very high	98.1	Very high	1 Å²	1	16.4 Å²	16.4	0%	0.004	9%	0.088	C	C	.	.	H	α-helix	trans	-59.4	-41.1	175.5	64.6	-71.8	0	0	0	113.2	R169 A175 D203 D240 G242 M246 L247 L250 W420 A471 L549	R169-W171 VanDerWaalsContact C-N 3.27Å; R169-W171 PolarHBondContact O-N 3.38Å; R169-W171 VanDerWaalsContact O-N 3.17Å; W171-A175 WeakPolarHBondContact O-CB 3.33Å; W171-A175 PolarHBondContact O-N 3.32Å; W171-A175 VanDerWaalsContact O-N 3.13Å; W171-D203 HydrophobicContact CH2-CB 4.46Å; W171-D203 WeakPolarHBondContact CH2-OD1 3.46Å; W171-D203 HydrophobicContact CZ2-CB 4.45Å; W171-D240 PolarHBondContact NE1-O 3.12Å; W171-G242 WeakPolarHBondContact CB-O 3.39Å; W171-M246 HydrophobicContact CH2-CB 4.41Å; W171-M246 HydrophobicContact CZ3-CB 4.07Å; W171-L247 HydrophobicContact CE3-CB 4.07Å; W171-L247 HydrophobicContact CE3-CD1 4.4Å; W171-L247 HydrophobicContact CZ3-CB 3.84Å; W171-L250 HydrophobicContact CH2-CD1 3.86Å; W171-L250 HydrophobicContact CZ3-CD1 4.4Å; W171-W420 HydrophobicContact CB-CZ2 4.19Å; W171-W420 PolarHBondContact O-NE1 2.82Å; W171-A471 HydrophobicContact CB-CB 4.22Å; W171-L549 HydrophobicContact CB-CD1 4.46Å; W171-L549 HydrophobicContact CB-CD2 3.89Å
172	L	98.6	Very high	98.1	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-66	-47.3	173.6	-60.2	-179.9	0	0	0	110.9	R169 C170 A175 L176 L199 F200 L247 L250	R169-L172 HydrophobicContact CB-CD1 4.38Å; R169-L172 HydrophobicContact CG-CD1 4.39Å; R169-L172 WeakPolarHBondContact O-CB 3.38Å; R169-L172 PolarHBondContact O-N 2.84Å; C170-L172 PolarHBondContact O-N 3.2Å; L172-A175 PolarHBondContact O-N 3.04Å; L172-L176 WeakPolarHBondContact O-CB 3.48Å; L172-L176 VanDerWaalsContact O-CG 3.23Å; L172-L176 WeakPolarHBondContact O-CG 3.26Å; L172-L176 PolarHBondContact O-N 3.2Å; L172-L199 HydrophobicContact CD1-CB 4.18Å; L172-L199 HydrophobicContact CD2-CB 3.97Å; L172-L199 HydrophobicContact CD2-CD1 4.2Å; L172-F200 HydrophobicContact CD1-CB 3.99Å; L172-L247 HydrophobicContact CD2-CD1 4.01Å; L172-L250 HydrophobicContact CD2-CD1 4.47Å
173	F	98.7	Very high	98.1	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-61.8	-48.5	-179.6	-86.1	-100.8	0	0	0	111.6	T162 Q164 R169 C170 A175 L176 N177 Q196	T162-F173 HydrophobicContact CG2-CD1 4.49Å; T162-F173 WeakPolarHBondContact OG1-CD1 3.39Å; Q164-F173 HydrophobicContact CB-CD1 4.44Å; Q164-F173 HydrophobicContact CB-CD2 3.73Å; Q164-F173 HydrophobicContact CB-CE1 4.34Å; Q164-F173 HydrophobicContact CB-CE2 3.6Å; Q164-F173 HydrophobicContact CB-CG 4.16Å; Q164-F173 HydrophobicContact CB-CZ 3.94Å; R169-F173 HydrophobicContact CB-CD2 3.82Å; R169-F173 HydrophobicContact CB-CE2 3.88Å; R169-F173 WeakPolarHBondContact O-CD2 3.27Å; R169-F173 PolarHBondContact O-N 2.88Å; C170-F173 PolarHBondContact O-N 2.91Å; F173-A175 PolarHBondContact O-N 3.3Å; F173-L176 PolarHBondContact O-N 3.11Å; F173-N177 VanDerWaalsContact O-CB 3.27Å; F173-N177 WeakPolarHBondContact O-CB 3.48Å; F173-N177 PolarHBondContact O-N 3.08Å; F173-N177 PolarHBondContact O-OD1 2.8Å; F173-Q196 HydrophobicContact CD1-CG 3.79Å; F173-Q196 HydrophobicContact CD2-CB 3.99Å; F173-Q196 HydrophobicContact CD2-CG 3.84Å; F173-Q196 HydrophobicContact CE1-CB 4.27Å; F173-Q196 HydrophobicContact CE1-CG 3.63Å; F173-Q196 HydrophobicContact CE2-CB 3.52Å; F173-Q196 HydrophobicContact CE2-CG 3.69Å; F173-Q196 HydrophobicContact CG-CG 3.9Å; F173-Q196 HydrophobicContact CZ-CB 3.67Å; F173-Q196 HydrophobicContact CZ-CG 3.57Å
174	A	98.6	Very high	98.1	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.008	8%	0.084	C	C	.	.	H	α-helix	trans	-60.5	-45	179.1	0	0	0	0	0	111.4	C170 N177 C178 W420 A471 V473	C170-A174 VanDerWaalsContact O-CB 3.27Å; C170-A174 WeakPolarHBondContact O-CB 3.5Å; C170-A174 PolarHBondContact O-N 2.83Å; A174-N177 WeakPolarHBondContact O-CB 2.99Å; A174-N177 PolarHBondContact O-N 3.49Å; A174-C178 PolarHBondContact O-N 3.23Å; A174-W420 HydrophobicContact CB-CG 4.37Å; A174-A471 HydrophobicContact CB-CB 4.19Å; A174-V473 HydrophobicContact CB-CG2 3.8Å; A174-V473 WeakPolarHBondContact O-CG2 3.34Å
175	A	98.5	Very high	98	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-66.7	-44.2	-179.7	0	0	0	0	0	111.6	W171 L172 F173 N177 C178 I179 W244 L247	W171-A175 WeakPolarHBondContact O-CB 3.33Å; W171-A175 PolarHBondContact O-N 3.32Å; W171-A175 VanDerWaalsContact O-N 3.13Å; L172-A175 PolarHBondContact O-N 3.04Å; F173-A175 PolarHBondContact O-N 3.3Å; A175-N177 PolarHBondContact O-N 3.36Å; A175-C178 WeakPolarHBondContact O-CB 3.31Å; A175-C178 PolarHBondContact O-N 3.44Å; A175-C178 VanDerWaalsContact O-N 3.12Å; A175-I179 WeakPolarHBondContact O-CD1 3.16Å; A175-I179 WeakPolarHBondContact O-CG1 3.45Å; A175-I179 PolarHBondContact O-N 2.8Å; A175-W244 HydrophobicContact CB-CZ3 3.94Å; A175-L247 HydrophobicContact CB-CD1 3.18Å; A175-L247 HydrophobicContact CB-CD2 3.74Å; A175-L247 HydrophobicContact CB-CG 4.08Å
176	L	98.8	Very high	97.9	Very high	2 Å²	2	18.2 Å²	18.2	1%	0.01	10%	0.104	C	C	.	.	H	α-helix	trans	-66	-28.6	175.9	-66	176.7	0	0	0	112.3	L172 F173 I179 R180 F194 Q196 L199 L256	L172-L176 WeakPolarHBondContact O-CB 3.48Å; L172-L176 VanDerWaalsContact O-CG 3.23Å; L172-L176 WeakPolarHBondContact O-CG 3.26Å; L172-L176 PolarHBondContact O-N 3.2Å; F173-L176 PolarHBondContact O-N 3.11Å; L176-I179 HydrophobicContact CD2-CD1 4.07Å; L176-I179 PolarHBondContact O-N 3.09Å; L176-R180 WeakPolarHBondContact O-CB 3.22Å; L176-R180 WeakPolarHBondContact O-CG 3.21Å; L176-R180 PolarHBondContact O-N 3.34Å; L176-F194 HydrophobicContact CB-CB 4.33Å; L176-F194 HydrophobicContact CD1-CB 4.04Å; L176-F194 HydrophobicContact CD2-CB 3.73Å; L176-F194 HydrophobicContact CD2-CD2 4.12Å; L176-F194 HydrophobicContact CD2-CG 4.08Å; L176-F194 HydrophobicContact CG-CB 4.24Å; L176-Q196 HydrophobicContact CD1-CB 4.25Å; L176-Q196 HydrophobicContact CD1-CG 3.77Å; L176-L199 HydrophobicContact CD1-CD1 4.04Å; L176-L199 HydrophobicContact CD2-CD1 3.94Å; L176-L199 HydrophobicContact CG-CD1 4.17Å; L176-L256 HydrophobicContact CD2-CD1 4.44Å; L176-L256 HydrophobicContact CD2-CD2 3.59Å
177	N	98.7	Very high	97.9	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.005	9%	0.086	C	C	.	.	H	α-helix	trans	-68.3	-36.2	171.2	-77.2	-9.2	0	0	0	112.1	T162 F173 A174 A175 R180 L181 V473 E491	T162-N177 WeakPolarHBondContact CG2-OD1 3.33Å; T162-N177 PolarHBondContact OG1-ND2 3.35Å; T162-N177 VanDerWaalsContact OG1-ND2 3.13Å; T162-N177 PolarHBondContact OG1-OD1 3.35Å; F173-N177 VanDerWaalsContact O-CB 3.27Å; F173-N177 WeakPolarHBondContact O-CB 3.48Å; F173-N177 PolarHBondContact O-N 3.08Å; F173-N177 PolarHBondContact O-OD1 2.8Å; A174-N177 WeakPolarHBondContact O-CB 2.99Å; A174-N177 PolarHBondContact O-N 3.49Å; A175-N177 PolarHBondContact O-N 3.36Å; N177-R180 WeakPolarHBondContact O-CG 3.38Å; N177-R180 VanDerWaalsContact OD1-CZ 3.3Å; N177-R180 PolarHBondContact OD1-NE 3.37Å; N177-R180 PolarHBondContact OD1-NH2 3.07Å; N177-L181 WeakPolarHBondContact O-CG 3.4Å; N177-V473 HydrophobicContact CB-CG2 3.86Å; N177-E491 VanDerWaalsContact CG-OE1 3.24Å; N177-E491 PolarHBondContact ND2-OE1 2.9Å; N177-E491 VanDerWaalsContact ND2-OE1 3.12Å
178	C	98.4	Very high	97.8	Very high	4 Å²	4	19 Å²	19	3%	0.027	10%	0.098	C	C	.	.	H	α-helix	trans	-66	-49.3	169.4	-72.8	0	0	0	0	111.6	A174 A175 R180 L181 P182 F359 W420 V473	A174-C178 PolarHBondContact O-N 3.23Å; A175-C178 WeakPolarHBondContact O-CB 3.31Å; A175-C178 PolarHBondContact O-N 3.44Å; A175-C178 VanDerWaalsContact O-N 3.12Å; C178-R180 VanDerWaalsContact C-N 3.33Å; C178-R180 PolarHBondContact O-N 2.86Å; C178-L181 PolarHBondContact O-N 3.32Å; C178-P182 VanDerWaalsContact O-CD 3.28Å; C178-P182 WeakPolarHBondContact O-CD 3.47Å; C178-F359 HydrophobicContact CB-CE2 4.14Å; C178-F359 HydrophobicContact CB-CZ 4.19Å; C178-W420 PolarHBondContact SG-N 3.02Å; C178-V473 VanDerWaalsContact SG-CG1 3.53Å
179	I	98.4	Very high	97.8	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.01	9%	0.092	C	C	.	.	H	α-helix	trans	-65.2	-36.3	-174	-61.9	159.2	0	0	0	111.3	A175 L176 L181 P182 F194 I251 L256 V355 F359 V361	A175-I179 WeakPolarHBondContact O-CD1 3.16Å; A175-I179 WeakPolarHBondContact O-CG1 3.45Å; A175-I179 PolarHBondContact O-N 2.8Å; L176-I179 HydrophobicContact CD2-CD1 4.07Å; L176-I179 PolarHBondContact O-N 3.09Å; I179-L181 VanDerWaalsContact C-N 3.3Å; I179-L181 PolarHBondContact O-N 3.47Å; I179-P182 WeakPolarHBondContact O-CD 3.45Å; I179-P182 WeakPolarHBondContact O-CG 3.46Å; I179-F194 HydrophobicContact CB-CE2 4.04Å; I179-F194 HydrophobicContact CG2-CD2 4.31Å; I179-F194 HydrophobicContact CG2-CE2 3.51Å; I179-F194 HydrophobicContact CG2-CZ 3.86Å; I179-I251 HydrophobicContact CD1-CD1 3.89Å; I179-L256 HydrophobicContact CD1-CD1 4.49Å; I179-L256 HydrophobicContact CG2-CD1 4.21Å; I179-V355 HydrophobicContact CG2-CG1 3.36Å; I179-F359 HydrophobicContact CB-CD1 4.36Å; I179-F359 HydrophobicContact CB-CG 4.4Å; I179-F359 HydrophobicContact CD1-CD1 4.48Å; I179-F359 HydrophobicContact CD1-CE1 4.38Å; I179-F359 HydrophobicContact CG1-CD1 3.52Å; I179-F359 HydrophobicContact CG1-CD2 4.49Å; I179-F359 HydrophobicContact CG1-CE1 3.54Å; I179-F359 HydrophobicContact CG1-CG 4.02Å; I179-F359 HydrophobicContact CG1-CZ 4.05Å; I179-F359 HydrophobicContact CG2-CB 4.3Å; I179-F359 HydrophobicContact CG2-CD1 4.43Å; I179-F359 HydrophobicContact CG2-CG 4.4Å; I179-V361 HydrophobicContact CD1-CG1 4.21Å
180	R	98.3	Very high	97.6	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.008	12%	0.116	C	C	.	.	H	α-helix	trans	-68.6	-24.6	-176.8	71.6	-176.3	-178.4	158.3	-4.8	113.9	P160 L176 N177 C178 F183 M184 F192 F194 E491	P160-R180 PolarHBondContact O-NH1 2.91Å; P160-R180 PolarHBondContact O-NH2 3.33Å; L176-R180 WeakPolarHBondContact O-CB 3.22Å; L176-R180 WeakPolarHBondContact O-CG 3.21Å; L176-R180 PolarHBondContact O-N 3.34Å; N177-R180 WeakPolarHBondContact O-CG 3.38Å; N177-R180 VanDerWaalsContact OD1-CZ 3.3Å; N177-R180 PolarHBondContact OD1-NE 3.37Å; N177-R180 PolarHBondContact OD1-NH2 3.07Å; C178-R180 VanDerWaalsContact C-N 3.33Å; C178-R180 PolarHBondContact O-N 2.86Å; R180-F183 PolarHBondContact O-N 3.04Å; R180-M184 HydrophobicContact CB-SD 4.44Å; R180-M184 HydrophobicContact CG-SD 4.29Å; R180-M184 VanDerWaalsContact O-CB 3.29Å; R180-M184 WeakPolarHBondContact O-CB 3.09Å; R180-M184 WeakPolarHBondContact O-CG 3.22Å; R180-M184 PolarHBondContact O-N 3.19Å; R180-F192 HydrophobicContact CB-CD1 4.15Å; R180-F192 PolarHBondContact NH1-O 3.39Å; R180-F194 HydrophobicContact CB-CD2 4.09Å; R180-F194 HydrophobicContact CB-CE2 3.96Å; R180-E491 IonicContact CZ-OE1 3.73Å; R180-E491 IonicContact NE-OE1 3.68Å; R180-E491 IonicContact NH2-OE1 3.19Å; R180-E491 PolarHBondContact NH2-OE1 3.21Å
181	L	97.9	Very high	97.6	Very high	19 Å²	19	29.8 Å²	29.8	10%	0.099	15%	0.147	C	C	.	.	H	α-helix	trans	-63.5	-57.1	-177.4	-52.3	-177.1	0	0	0	112.5	V154 G158 N177 C178 I179 F183 M184 K185 A418	V154-L181 HydrophobicContact CG2-CD1 4.31Å; G158-L181 VanDerWaalsContact N-CD2 3.3Å; N177-L181 WeakPolarHBondContact O-CG 3.4Å; C178-L181 PolarHBondContact O-N 3.32Å; I179-L181 VanDerWaalsContact C-N 3.3Å; I179-L181 PolarHBondContact O-N 3.47Å; L181-F183 VanDerWaalsContact C-N 3.27Å; L181-F183 PolarHBondContact O-N 3.18Å; L181-M184 PolarHBondContact O-N 2.67Å; L181-K185 PolarHBondContact O-N 3.21Å; L181-K185 VanDerWaalsContact O-N 3.14Å; L181-A418 HydrophobicContact CD1-CB 3.49Å; L181-A418 VanDerWaalsContact CD1-CB 3.49Å
182	P	97.4	Very high	97.6	Very high	32 Å²	32	30.2 Å²	30.2	21%	0.208	15%	0.149	C	C	.	.	H	α-helix	trans	-64.7	-32.2	175.4	26.8	-35	0	0	0	111.8	C178 I179 K185 N186 H358 F359	C178-P182 VanDerWaalsContact O-CD 3.28Å; C178-P182 WeakPolarHBondContact O-CD 3.47Å; I179-P182 WeakPolarHBondContact O-CD 3.45Å; I179-P182 WeakPolarHBondContact O-CG 3.46Å; P182-K185 PolarHBondContact O-N 2.78Å; P182-N186 WeakPolarHBondContact O-CB 3.26Å; P182-N186 PolarHBondContact O-N 2.9Å; P182-N186 PolarHBondContact O-ND2 2.99Å; P182-H358 HydrophobicContact CB-CB 4.26Å; P182-F359 HydrophobicContact CG-CB 4.07Å; P182-F359 HydrophobicContact CG-CD2 4.07Å
183	F	97.7	Very high	97.6	Very high	1 Å²	1	31.5 Å²	31.5	0%	0.004	16%	0.155	C	C	.	.	H	α-helix	trans	-62.3	-52	175.7	-173.7	-95	0	0	0	111.9	R180 L181 K185 N186 Y187 L189 F192 F194 W330 F350 Y354 V355	R180-F183 PolarHBondContact O-N 3.04Å; L181-F183 VanDerWaalsContact C-N 3.27Å; L181-F183 PolarHBondContact O-N 3.18Å; F183-K185 VanDerWaalsContact C-N 3.25Å; F183-K185 PolarHBondContact O-N 3.01Å; F183-N186 PolarHBondContact O-N 3.36Å; F183-Y187 HydrophobicContact CD1-CD2 4.26Å; F183-Y187 AromaticContact CD2-CD2 3.59Å; F183-Y187 HydrophobicContact CD2-CD2 3.59Å; F183-Y187 AromaticContact CD2-CE2 3.62Å; F183-Y187 HydrophobicContact CD2-CE2 3.62Å; F183-Y187 HydrophobicContact CE1-CD2 4.14Å; F183-Y187 AromaticContact CE2-CD2 3.46Å; F183-Y187 HydrophobicContact CE2-CD2 3.46Å; F183-Y187 VanDerWaalsContact CE2-CD2 3.46Å; F183-Y187 AromaticContact CE2-CE2 3.42Å; F183-Y187 HydrophobicContact CE2-CE2 3.42Å; F183-Y187 VanDerWaalsContact CE2-CE2 3.42Å; F183-Y187 HydrophobicContact CE2-CG 4.36Å; F183-Y187 AromaticContact CG-CD2 4Å; F183-Y187 HydrophobicContact CG-CD2 4Å; F183-Y187 HydrophobicContact CG-CE2 4.44Å; F183-Y187 AromaticContact CZ-CD2 3.75Å; F183-Y187 HydrophobicContact CZ-CD2 3.75Å; F183-Y187 HydrophobicContact CZ-CE2 4.11Å; F183-Y187 HydrophobicContact CZ-CG 4.26Å; F183-Y187 VanDerWaalsContact O-CD2 3.31Å; F183-Y187 WeakPolarHBondContact O-CD2 3.1Å; F183-Y187 PolarHBondContact O-N 3.23Å; F183-L189 HydrophobicContact CD1-CD1 3.91Å; F183-L189 HydrophobicContact CE1-CD1 3.69Å; F183-F192 AromaticContact CD1-CD1 3.69Å; F183-F192 HydrophobicContact CD1-CD1 3.69Å; F183-F192 HydrophobicContact CD1-CD2 4.43Å; F183-F192 AromaticContact CD1-CE1 3.51Å; F183-F192 HydrophobicContact CD1-CE1 3.51Å; F183-F192 HydrophobicContact CD1-CE2 4.27Å; F183-F192 HydrophobicContact CD1-CG 4.15Å; F183-F192 AromaticContact CD1-CZ 3.82Å; F183-F192 HydrophobicContact CD1-CZ 3.82Å; F183-F192 HydrophobicContact CE1-CD1 4.01Å; F183-F192 HydrophobicContact CE1-CD2 4Å; F183-F192 AromaticContact CE1-CE1 3.6Å; F183-F192 HydrophobicContact CE1-CE1 3.6Å; F183-F192 AromaticContact CE1-CE2 3.59Å; F183-F192 HydrophobicContact CE1-CE2 3.59Å; F183-F192 HydrophobicContact CE1-CG 4.2Å; F183-F192 AromaticContact CE1-CZ 3.37Å; F183-F192 HydrophobicContact CE1-CZ 3.37Å; F183-F192 HydrophobicContact CG-CE1 4.41Å; F183-F192 HydrophobicContact CZ-CE2 4.42Å; F183-F192 HydrophobicContact CZ-CZ 4.1Å; F183-F194 HydrophobicContact CB-CE2 4.39Å; F183-F194 HydrophobicContact CB-CZ 4.08Å; F183-F194 HydrophobicContact CD1-CZ 4.17Å; F183-F194 HydrophobicContact CD2-CZ 4.04Å; F183-F194 AromaticContact CG-CZ 3.83Å; F183-F194 HydrophobicContact CG-CZ 3.83Å; F183-W330 HydrophobicContact CE1-CH2 4.07Å; F183-W330 HydrophobicContact CE1-CZ3 4.08Å; F183-W330 HydrophobicContact CZ-CH2 4.39Å; F183-W330 AromaticContact CZ-CZ3 3.93Å; F183-W330 HydrophobicContact CZ-CZ3 3.93Å; F183-F350 HydrophobicContact CE2-CZ 4.07Å; F183-F350 HydrophobicContact CZ-CE2 4.39Å; F183-F350 AromaticContact CZ-CZ 3.71Å; F183-F350 HydrophobicContact CZ-CZ 3.71Å; F183-Y354 WeakPolarHBondContact CD2-O 3.39Å; F183-Y354 WeakPolarHBondContact CE2-O 3.26Å; F183-V355 HydrophobicContact CD2-CG2 3.98Å; F183-V355 HydrophobicContact CE2-CG2 4.05Å
184	M	97.5	Very high	97.6	Very high	5 Å²	5	31.5 Å²	31.5	3%	0.025	16%	0.155	C	C	.	.	H	α-helix	trans	-57.4	-39.2	177.6	-74.1	172.6	69.5	0	0	112.3	K159 R180 L181 N188 L189 D190 F192	K159-M184 HydrophobicContact CB-CE 4.5Å; R180-M184 HydrophobicContact CB-SD 4.44Å; R180-M184 HydrophobicContact CG-SD 4.29Å; R180-M184 VanDerWaalsContact O-CB 3.29Å; R180-M184 WeakPolarHBondContact O-CB 3.09Å; R180-M184 WeakPolarHBondContact O-CG 3.22Å; R180-M184 PolarHBondContact O-N 3.19Å; L181-M184 PolarHBondContact O-N 2.67Å; M184-N188 PolarHBondContact O-N 2.74Å; M184-N188 VanDerWaalsContact O-N 3.14Å; M184-L189 HydrophobicContact CB-CB 4.26Å; M184-L189 HydrophobicContact CG-CB 4.22Å; M184-L189 HydrophobicContact CG-CD1 4.49Å; M184-L189 PolarHBondContact O-N 3.39Å; M184-D190 VanDerWaalsContact CE-O 3.31Å; M184-D190 WeakPolarHBondContact CE-O 3.36Å; M184-F192 HydrophobicContact CG-CB 3.58Å; M184-F192 HydrophobicContact CG-CG 4.41Å; M184-F192 HydrophobicContact SD-CB 4.06Å
185	K	95.8	Very high	97.6	Very high	124 Å²	124	31.5 Å²	31.5	54%	0.539	16%	0.155	S	C	.	.	H	α-helix	trans	-63.8	-52	175.9	-178.3	176.2	175.9	174.7	0	111.7	E155 L181 P182 F183 Y187 N188	E155-K185 IonicContact OE1-NZ 2.66Å; E155-K185 WeakPolarHBondContact OE2-CE 3.04Å; E155-K185 IonicContact OE2-NZ 3.66Å; E155-K185 PolarHBondContact OE2-NZ 2.63Å; L181-K185 PolarHBondContact O-N 3.21Å; L181-K185 VanDerWaalsContact O-N 3.14Å; P182-K185 PolarHBondContact O-N 2.78Å; F183-K185 VanDerWaalsContact C-N 3.25Å; F183-K185 PolarHBondContact O-N 3.01Å; K185-Y187 VanDerWaalsContact C-N 3.35Å; K185-Y187 PolarHBondContact O-N 2.83Å; K185-N188 PolarHBondContact O-N 3.03Å
186	N	96.2	Very high	97.6	Very high	84 Å²	84	31.6 Å²	31.6	45%	0.449	16%	0.156	S	C	.	.	H	α-helix	trans	-69.5	-30.2	-175.2	-75.2	-70	0	0	0	113.3	P182 F183 H358	P182-N186 WeakPolarHBondContact O-CB 3.26Å; P182-N186 PolarHBondContact O-N 2.9Å; P182-N186 PolarHBondContact O-ND2 2.99Å; F183-N186 PolarHBondContact O-N 3.36Å; N186-H358 VanDerWaalsContact CG-CE1 3.4Å; N186-H358 VanDerWaalsContact ND2-CG 3.32Å; N186-H358 PolarHBondContact ND2-ND1 2.95Å; N186-H358 PolarHBondContact OD1-CE1 3.39Å
187	Y	96.1	Very high	97.6	Very high	47 Å²	47	31.5 Å²	31.5	18%	0.184	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	11.2	178.9	-67.6	-79.9	0	0	0	114	F183 K185 L189 Y354	F183-Y187 HydrophobicContact CD1-CD2 4.26Å; F183-Y187 AromaticContact CD2-CD2 3.59Å; F183-Y187 HydrophobicContact CD2-CD2 3.59Å; F183-Y187 AromaticContact CD2-CE2 3.62Å; F183-Y187 HydrophobicContact CD2-CE2 3.62Å; F183-Y187 HydrophobicContact CE1-CD2 4.14Å; F183-Y187 AromaticContact CE2-CD2 3.46Å; F183-Y187 HydrophobicContact CE2-CD2 3.46Å; F183-Y187 VanDerWaalsContact CE2-CD2 3.46Å; F183-Y187 AromaticContact CE2-CE2 3.42Å; F183-Y187 HydrophobicContact CE2-CE2 3.42Å; F183-Y187 VanDerWaalsContact CE2-CE2 3.42Å; F183-Y187 HydrophobicContact CE2-CG 4.36Å; F183-Y187 AromaticContact CG-CD2 4Å; F183-Y187 HydrophobicContact CG-CD2 4Å; F183-Y187 HydrophobicContact CG-CE2 4.44Å; F183-Y187 AromaticContact CZ-CD2 3.75Å; F183-Y187 HydrophobicContact CZ-CD2 3.75Å; F183-Y187 HydrophobicContact CZ-CE2 4.11Å; F183-Y187 HydrophobicContact CZ-CG 4.26Å; F183-Y187 VanDerWaalsContact O-CD2 3.31Å; F183-Y187 WeakPolarHBondContact O-CD2 3.1Å; F183-Y187 PolarHBondContact O-N 3.23Å; K185-Y187 VanDerWaalsContact C-N 3.35Å; K185-Y187 PolarHBondContact O-N 2.83Å; Y187-L189 PolarHBondContact O-N 3.35Å; Y187-Y354 AromaticContact CE1-CD1 3.87Å; Y187-Y354 HydrophobicContact CE1-CD1 3.87Å; Y187-Y354 VanDerWaalsContact CE2-O 3.27Å; Y187-Y354 WeakPolarHBondContact CE2-O 3.47Å; Y187-Y354 AromaticContact CZ-CD1 3.79Å; Y187-Y354 VanDerWaalsContact OH-CA 3.29Å; Y187-Y354 WeakPolarHBondContact OH-CA 3.42Å; Y187-Y354 WeakPolarHBondContact OH-CB 3.35Å; Y187-Y354 VanDerWaalsContact OH-CD1 3.29Å; Y187-Y354 WeakPolarHBondContact OH-CD1 3.34Å; Y187-Y354 PolarHBondContact OH-O 2.9Å
188	N	96.5	Very high	97.6	Very high	60 Å²	60	31.5 Å²	31.5	32%	0.321	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	59.7	178	-169	36.6	0	0	0	111.9	M184 K185 D334 K335 S336	M184-N188 PolarHBondContact O-N 2.74Å; M184-N188 VanDerWaalsContact O-N 3.14Å; K185-N188 PolarHBondContact O-N 3.03Å; N188-D334 HydrophobicContact CB-CB 4.35Å; N188-D334 CarbonylContact O-C 3.39Å; N188-D334 WeakPolarHBondContact O-CA 3.01Å; N188-D334 WeakPolarHBondContact O-CB 3.46Å; N188-K335 WeakPolarHBondContact O-CG 3.34Å; N188-K335 PolarHBondContact O-N 3.31Å; N188-K335 WeakPolarHBondContact OD1-CB 3.49Å; N188-K335 WeakPolarHBondContact OD1-CD 3.45Å; N188-K335 WeakPolarHBondContact OD1-CG 3.31Å; N188-S336 PolarHBondContact ND2-OG 3.23Å
189	L	97.1	Very high	97.6	Very high	5 Å²	5	31.3 Å²	31.3	3%	0.026	15%	0.154	C	C	.	.			trans	-110.4	134.5	-177.5	-55.2	175	0	0	0	111.5	F183 M184 Y187 F192 W330 Y332 K335	F183-L189 HydrophobicContact CD1-CD1 3.91Å; F183-L189 HydrophobicContact CE1-CD1 3.69Å; M184-L189 HydrophobicContact CB-CB 4.26Å; M184-L189 HydrophobicContact CG-CB 4.22Å; M184-L189 HydrophobicContact CG-CD1 4.49Å; M184-L189 PolarHBondContact O-N 3.39Å; Y187-L189 PolarHBondContact O-N 3.35Å; L189-F192 HydrophobicContact CB-CB 4.48Å; L189-F192 HydrophobicContact CD1-CB 3.84Å; L189-F192 HydrophobicContact CD1-CD2 3.72Å; L189-F192 HydrophobicContact CD1-CE2 4.48Å; L189-F192 HydrophobicContact CD1-CG 3.83Å; L189-W330 HydrophobicContact CD1-CH2 3.77Å; L189-W330 HydrophobicContact CD1-CZ2 4.45Å; L189-W330 HydrophobicContact CD2-CH2 4.11Å; L189-Y332 HydrophobicContact CD2-CD2 3.34Å; L189-Y332 HydrophobicContact CD2-CE2 3.27Å; L189-Y332 HydrophobicContact CD2-CG 4.31Å; L189-K335 WeakPolarHBondContact O-CE 3.42Å
190	D	94.7	Very high	97.6	Very high	96 Å²	96	31.2 Å²	31.2	51%	0.513	15%	0.153	S	C	.	.	S	Bend	trans	-78.5	-39.7	172	-81.6	-34.6	0	0	0	112.4	M184 K335	M184-D190 VanDerWaalsContact CE-O 3.31Å; M184-D190 WeakPolarHBondContact CE-O 3.36Å; D190-K335 HydrophobicContact CB-CG 4.36Å; D190-K335 WeakPolarHBondContact OD1-CD 3.18Å; D190-K335 WeakPolarHBondContact OD1-CE 3.47Å; D190-K335 VanDerWaalsContact OD1-CG 3.27Å; D190-K335 WeakPolarHBondContact OD1-CG 3.49Å; D190-K335 IonicContact OD1-NZ 3.62Å
191	E	96.9	Very high	97.7	Very high	139 Å²	139	31.1 Å²	31.1	65%	0.65	15%	0.153	S	C	*	.	S	Bend	trans	-137.1	133.5	-178.9	-67.7	179.3	-173.6	0	0	110.1	K159	K159-E191 HydrophobicContact CB-CG 4.12Å; K159-E191 CarbonylContact O-C 3.53Å; K159-E191 VanDerWaalsContact O-CA 3.26Å; K159-E191 WeakPolarHBondContact O-CA 3.41Å
192	F	98.3	Very high	97.7	Very high	10 Å²	10	32.9 Å²	32.9	4%	0.044	16%	0.158	C	C	.	.			trans	-159	144.8	176.5	-174.8	-98.8	0	0	0	112.2	K159 R180 F183 M184 L189 F194 P258 W330	K159-F192 PolarHBondContact O-N 2.87Å; R180-F192 HydrophobicContact CB-CD1 4.15Å; R180-F192 PolarHBondContact NH1-O 3.39Å; F183-F192 AromaticContact CD1-CD1 3.69Å; F183-F192 HydrophobicContact CD1-CD1 3.69Å; F183-F192 HydrophobicContact CD1-CD2 4.43Å; F183-F192 AromaticContact CD1-CE1 3.51Å; F183-F192 HydrophobicContact CD1-CE1 3.51Å; F183-F192 HydrophobicContact CD1-CE2 4.27Å; F183-F192 HydrophobicContact CD1-CG 4.15Å; F183-F192 AromaticContact CD1-CZ 3.82Å; F183-F192 HydrophobicContact CD1-CZ 3.82Å; F183-F192 HydrophobicContact CE1-CD1 4.01Å; F183-F192 HydrophobicContact CE1-CD2 4Å; F183-F192 AromaticContact CE1-CE1 3.6Å; F183-F192 HydrophobicContact CE1-CE1 3.6Å; F183-F192 AromaticContact CE1-CE2 3.59Å; F183-F192 HydrophobicContact CE1-CE2 3.59Å; F183-F192 HydrophobicContact CE1-CG 4.2Å; F183-F192 AromaticContact CE1-CZ 3.37Å; F183-F192 HydrophobicContact CE1-CZ 3.37Å; F183-F192 HydrophobicContact CG-CE1 4.41Å; F183-F192 HydrophobicContact CZ-CE2 4.42Å; F183-F192 HydrophobicContact CZ-CZ 4.1Å; M184-F192 HydrophobicContact CG-CB 3.58Å; M184-F192 HydrophobicContact CG-CG 4.41Å; M184-F192 HydrophobicContact SD-CB 4.06Å; L189-F192 HydrophobicContact CB-CB 4.48Å; L189-F192 HydrophobicContact CD1-CB 3.84Å; L189-F192 HydrophobicContact CD1-CD2 3.72Å; L189-F192 HydrophobicContact CD1-CE2 4.48Å; L189-F192 HydrophobicContact CD1-CG 3.83Å; F192-F194 HydrophobicContact CD1-CD2 4.48Å; F192-F194 HydrophobicContact CD1-CE2 4.43Å; F192-F194 AromaticContact CE1-CD1 3.7Å; F192-F194 HydrophobicContact CE1-CD1 3.7Å; F192-F194 AromaticContact CE1-CD2 3.74Å; F192-F194 HydrophobicContact CE1-CD2 3.74Å; F192-F194 AromaticContact CE1-CE1 3.67Å; F192-F194 HydrophobicContact CE1-CE1 3.67Å; F192-F194 AromaticContact CE1-CE2 3.7Å; F192-F194 HydrophobicContact CE1-CE2 3.7Å; F192-F194 AromaticContact CE1-CG 3.73Å; F192-F194 HydrophobicContact CE1-CG 3.73Å; F192-F194 AromaticContact CE1-CZ 3.67Å; F192-F194 HydrophobicContact CE1-CZ 3.67Å; F192-F194 AromaticContact CZ-CD1 3.88Å; F192-F194 HydrophobicContact CZ-CD1 3.88Å; F192-F194 AromaticContact CZ-CE1 3.88Å; F192-F194 HydrophobicContact CZ-CE1 3.88Å; F192-F194 HydrophobicContact CZ-CG 4.31Å; F192-F194 HydrophobicContact CZ-CZ 4.29Å; F192-P258 HydrophobicContact CE2-CB 3.91Å; F192-P258 HydrophobicContact CE2-CG 4.12Å; F192-P258 HydrophobicContact CZ-CB 4.17Å; F192-P258 HydrophobicContact CZ-CG 4.23Å; F192-W330 AromaticContact CD2-CH2 3.82Å; F192-W330 HydrophobicContact CD2-CH2 3.82Å; F192-W330 AromaticContact CD2-CZ2 3.66Å; F192-W330 HydrophobicContact CD2-CZ2 3.66Å; F192-W330 AromaticContact CE2-CH2 3.59Å; F192-W330 HydrophobicContact CE2-CH2 3.59Å; F192-W330 AromaticContact CE2-CZ2 3.54Å; F192-W330 HydrophobicContact CE2-CZ2 3.54Å; F192-W330 HydrophobicContact CE2-CZ3 4.16Å
193	E	98.8	Very high	97.8	Very high	27 Å²	27	31.3 Å²	31.3	13%	0.126	15%	0.148	C	C	.	.			trans	-138.2	137.8	166.8	-69.6	-176.4	76.4	0	0	108.9	P160 T162 Q196 K259	P160-E193 HydrophobicContact CG-CG 4.45Å; T162-E193 HydrophobicContact CG2-CG 4.07Å; T162-E193 VanDerWaalsContact CG2-OE1 3.27Å; T162-E193 WeakPolarHBondContact CG2-OE1 3.4Å; E193-Q196 PolarHBondContact OE1-NE2 2.88Å; E193-K259 HydrophobicContact CB-CB 3.85Å; E193-K259 HydrophobicContact CB-CD 3.65Å; E193-K259 HydrophobicContact CB-CG 4.42Å; E193-K259 HydrophobicContact CG-CD 4.21Å; E193-K259 VanDerWaalsContact O-CB 3.32Å; E193-K259 WeakPolarHBondContact O-CB 3.12Å; E193-K259 PolarHBondContact O-N 3.32Å; E193-K259 IonicContact OE1-NZ 2.68Å; E193-K259 PolarHBondContact OE1-NZ 2.86Å; E193-K259 WeakPolarHBondContact OE2-CD 2.98Å; E193-K259 IonicContact OE2-NZ 2.93Å; E193-K259 PolarHBondContact OE2-NZ 2.74Å
194	F	98.8	Very high	97.8	Very high	1 Å²	1	31.3 Å²	31.3	0%	0.004	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-73.2	153.9	159.2	-66.8	-75.9	0	0	0	109.6	L176 I179 R180 F183 F192 Q196 L256 M257 F350 V355	L176-F194 HydrophobicContact CB-CB 4.33Å; L176-F194 HydrophobicContact CD1-CB 4.04Å; L176-F194 HydrophobicContact CD2-CB 3.73Å; L176-F194 HydrophobicContact CD2-CD2 4.12Å; L176-F194 HydrophobicContact CD2-CG 4.08Å; L176-F194 HydrophobicContact CG-CB 4.24Å; I179-F194 HydrophobicContact CB-CE2 4.04Å; I179-F194 HydrophobicContact CG2-CD2 4.31Å; I179-F194 HydrophobicContact CG2-CE2 3.51Å; I179-F194 HydrophobicContact CG2-CZ 3.86Å; R180-F194 HydrophobicContact CB-CD2 4.09Å; R180-F194 HydrophobicContact CB-CE2 3.96Å; F183-F194 HydrophobicContact CB-CE2 4.39Å; F183-F194 HydrophobicContact CB-CZ 4.08Å; F183-F194 HydrophobicContact CD1-CZ 4.17Å; F183-F194 HydrophobicContact CD2-CZ 4.04Å; F183-F194 AromaticContact CG-CZ 3.83Å; F183-F194 HydrophobicContact CG-CZ 3.83Å; F192-F194 HydrophobicContact CD1-CD2 4.48Å; F192-F194 HydrophobicContact CD1-CE2 4.43Å; F192-F194 AromaticContact CE1-CD1 3.7Å; F192-F194 HydrophobicContact CE1-CD1 3.7Å; F192-F194 AromaticContact CE1-CD2 3.74Å; F192-F194 HydrophobicContact CE1-CD2 3.74Å; F192-F194 AromaticContact CE1-CE1 3.67Å; F192-F194 HydrophobicContact CE1-CE1 3.67Å; F192-F194 AromaticContact CE1-CE2 3.7Å; F192-F194 HydrophobicContact CE1-CE2 3.7Å; F192-F194 AromaticContact CE1-CG 3.73Å; F192-F194 HydrophobicContact CE1-CG 3.73Å; F192-F194 AromaticContact CE1-CZ 3.67Å; F192-F194 HydrophobicContact CE1-CZ 3.67Å; F192-F194 AromaticContact CZ-CD1 3.88Å; F192-F194 HydrophobicContact CZ-CD1 3.88Å; F192-F194 AromaticContact CZ-CE1 3.88Å; F192-F194 HydrophobicContact CZ-CE1 3.88Å; F192-F194 HydrophobicContact CZ-CG 4.31Å; F192-F194 HydrophobicContact CZ-CZ 4.29Å; F194-Q196 VanDerWaalsContact O-CD 3.31Å; F194-Q196 PolarHBondContact O-N 2.85Å; F194-Q196 VanDerWaalsContact O-N 3.12Å; F194-Q196 PolarHBondContact O-OE1 2.84Å; F194-L256 HydrophobicContact CD1-CB 4.06Å; F194-L256 HydrophobicContact CD1-CD1 4.23Å; F194-L256 HydrophobicContact CE1-CB 4.28Å; F194-L256 HydrophobicContact CE1-CD1 4.11Å; F194-L256 HydrophobicContact CZ-CD1 4.4Å; F194-M257 CarbonylContact C-O 3.49Å; F194-M257 WeakPolarHBondContact CA-O 3.41Å; F194-F350 HydrophobicContact CD1-CE1 4.32Å; F194-F350 AromaticContact CE1-CE1 3.84Å; F194-F350 HydrophobicContact CE1-CE1 3.84Å; F194-V355 HydrophobicContact CE1-CG2 3.72Å; F194-V355 HydrophobicContact CZ-CG1 4.21Å; F194-V355 HydrophobicContact CZ-CG2 3.8Å
195	S	98.8	Very high	97.9	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.007	15%	0.151	C	C	.	.			trans	-71	106.7	177.5	-179.3	0	0	0	0	110.7	A197 F198 M257 F262	S195-A197 VanDerWaalsContact C-N 3.3Å; S195-F198 PolarHBondContact O-N 3.3Å; S195-F198 WeakPolarHBondContact OG-CB 3.45Å; S195-F198 PolarHBondContact OG-N 2.85Å; S195-M257 PolarHBondContact N-O 2.93Å; S195-F262 WeakPolarHBondContact CB-O 3.13Å; S195-F262 PolarHBondContact OG-O 3.4Å
196	Q	98.8	Very high	98	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-68.5	-35.5	170.9	-53.1	90.3	-13.3	0	0	110.6	F173 L176 E193 F194 F198 L199 F200	F173-Q196 HydrophobicContact CD1-CG 3.79Å; F173-Q196 HydrophobicContact CD2-CB 3.99Å; F173-Q196 HydrophobicContact CD2-CG 3.84Å; F173-Q196 HydrophobicContact CE1-CB 4.27Å; F173-Q196 HydrophobicContact CE1-CG 3.63Å; F173-Q196 HydrophobicContact CE2-CB 3.52Å; F173-Q196 HydrophobicContact CE2-CG 3.69Å; F173-Q196 HydrophobicContact CG-CG 3.9Å; F173-Q196 HydrophobicContact CZ-CB 3.67Å; F173-Q196 HydrophobicContact CZ-CG 3.57Å; L176-Q196 HydrophobicContact CD1-CB 4.25Å; L176-Q196 HydrophobicContact CD1-CG 3.77Å; E193-Q196 PolarHBondContact OE1-NE2 2.88Å; F194-Q196 VanDerWaalsContact O-CD 3.31Å; F194-Q196 PolarHBondContact O-N 2.85Å; F194-Q196 VanDerWaalsContact O-N 3.12Å; F194-Q196 PolarHBondContact O-OE1 2.84Å; Q196-F198 VanDerWaalsContact C-N 3.28Å; Q196-F198 PolarHBondContact O-N 2.83Å; Q196-L199 PolarHBondContact O-N 3.43Å; Q196-F200 WeakPolarHBondContact O-CB 3.41Å; Q196-F200 PolarHBondContact O-N 3.01Å
197	A	98.8	Very high	98.1	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-57.1	-37	172.5	0	0	0	0	0	113.1	S195 F200 Y201 F262 E264 C268	S195-A197 VanDerWaalsContact C-N 3.3Å; A197-F200 PolarHBondContact O-N 3.16Å; A197-Y201 WeakPolarHBondContact O-CB 3.37Å; A197-Y201 PolarHBondContact O-N 3.21Å; A197-F262 HydrophobicContact CB-CD1 3.76Å; A197-F262 HydrophobicContact CB-CE1 3.8Å; A197-E264 PolarHBondContact N-OE1 3.24Å; A197-C268 VanDerWaalsContact CB-SG 3.58Å
198	F	98.8	Very high	98.2	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.009	10%	0.102	C	C	.	.	H	α-helix	trans	-64.6	-50.2	179.1	172.3	-99.9	0	0	0	112	S195 Q196 F200 Y201 W202 H254 G255 M257 F262 P324 S347	S195-F198 PolarHBondContact O-N 3.3Å; S195-F198 WeakPolarHBondContact OG-CB 3.45Å; S195-F198 PolarHBondContact OG-N 2.85Å; Q196-F198 VanDerWaalsContact C-N 3.28Å; Q196-F198 PolarHBondContact O-N 2.83Å; F198-F200 VanDerWaalsContact C-N 3.28Å; F198-F200 PolarHBondContact O-N 3.08Å; F198-Y201 WeakPolarHBondContact O-CB 3.29Å; F198-Y201 PolarHBondContact O-N 2.99Å; F198-W202 AromaticContact CD2-NE1 3.85Å; F198-W202 AromaticContact CE1-CD1 3.78Å; F198-W202 AromaticContact CE2-CD1 3.6Å; F198-W202 AromaticContact CE2-NE1 3.11Å; F198-W202 AromaticContact CZ-CD1 3.44Å; F198-W202 VanDerWaalsContact CZ-CD1 3.44Å; F198-W202 AromaticContact CZ-NE1 3.19Å; F198-W202 PolarHBondContact O-N 3.45Å; F198-H254 HydrophobicContact CE1-CB 4.34Å; F198-H254 HydrophobicContact CZ-CB 4.19Å; F198-H254 WeakPolarHBondContact CZ-O 3.37Å; F198-G255 WeakPolarHBondContact CE1-O 3.24Å; F198-M257 HydrophobicContact CB-CG 3.97Å; F198-M257 HydrophobicContact CB-SD 3.93Å; F198-M257 HydrophobicContact CD1-CG 4.35Å; F198-M257 HydrophobicContact CD2-CG 4.03Å; F198-M257 HydrophobicContact CD2-SD 3.24Å; F198-M257 WeakPolarHBondContact CD2-SD 3.28Å; F198-M257 HydrophobicContact CE2-SD 3.82Å; F198-M257 HydrophobicContact CG-CG 3.85Å; F198-M257 HydrophobicContact CG-SD 3.68Å; F198-F262 HydrophobicContact CB-CD1 3.98Å; F198-P324 HydrophobicContact CD2-CB 3.72Å; F198-P324 HydrophobicContact CD2-CG 3.77Å; F198-P324 HydrophobicContact CE2-CB 3.77Å; F198-P324 HydrophobicContact CE2-CG 4.11Å; F198-S347 VanDerWaalsContact CZ-CB 3.5Å; F198-S347 WeakPolarHBondContact CZ-OG 3.31Å
199	L	98.8	Very high	98.4	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-65.8	-35.3	175.8	-69	-172.3	0	0	0	111.4	L172 L176 Q196 W202 D203 L247 L250 I251 L256	L172-L199 HydrophobicContact CD1-CB 4.18Å; L172-L199 HydrophobicContact CD2-CB 3.97Å; L172-L199 HydrophobicContact CD2-CD1 4.2Å; L176-L199 HydrophobicContact CD1-CD1 4.04Å; L176-L199 HydrophobicContact CD2-CD1 3.94Å; L176-L199 HydrophobicContact CG-CD1 4.17Å; Q196-L199 PolarHBondContact O-N 3.43Å; L199-W202 PolarHBondContact O-N 3.3Å; L199-D203 VanDerWaalsContact O-CB 3.31Å; L199-D203 WeakPolarHBondContact O-CB 3.34Å; L199-D203 PolarHBondContact O-N 3.18Å; L199-L247 HydrophobicContact CD1-CD1 4.41Å; L199-L250 HydrophobicContact CD2-CB 4.17Å; L199-I251 HydrophobicContact CD1-CD1 4.31Å; L199-I251 HydrophobicContact CD1-CG1 4.11Å; L199-I251 HydrophobicContact CD2-CG1 4.14Å; L199-L256 HydrophobicContact CD1-CD2 3.93Å; L199-L256 HydrophobicContact CD2-CD2 4.09Å; L199-L256 HydrophobicContact CG-CD2 4.16Å
200	F	98.8	Very high	98.4	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-64.2	-38.9	175.9	-175.6	-128.2	0	0	0	112.8	R169 L172 Q196 A197 F198 K204 D240 M274 L321	R169-F200 VanDerWaalsContact CD-CG 3.4Å; R169-F200 HydrophobicContact CG-CD2 3.79Å; R169-F200 HydrophobicContact CG-CE2 4.02Å; R169-F200 HydrophobicContact CG-CG 4.18Å; L172-F200 HydrophobicContact CD1-CB 3.99Å; Q196-F200 WeakPolarHBondContact O-CB 3.41Å; Q196-F200 PolarHBondContact O-N 3.01Å; A197-F200 PolarHBondContact O-N 3.16Å; F198-F200 VanDerWaalsContact C-N 3.28Å; F198-F200 PolarHBondContact O-N 3.08Å; F200-K204 WeakPolarHBondContact O-CB 3.32Å; F200-K204 PolarHBondContact O-N 3.29Å; F200-D240 HydrophobicContact CE2-CB 4.17Å; F200-D240 VanDerWaalsContact CE2-OD1 3.29Å; F200-D240 WeakPolarHBondContact CE2-OD1 3.15Å; F200-D240 WeakPolarHBondContact CZ-OD1 3.45Å; F200-M274 HydrophobicContact CE1-CE 3.56Å; F200-M274 HydrophobicContact CZ-CE 3.62Å; F200-L321 HydrophobicContact CD1-CD1 3.91Å; F200-L321 HydrophobicContact CD1-CD2 4.27Å; F200-L321 HydrophobicContact CE1-CD1 4.23Å; F200-L321 HydrophobicContact CE1-CD2 4.18Å
201	Y	98.8	Very high	98.6	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-57.2	-54.7	173.5	176.7	-87.4	0	0	0	110.8	A197 F198 K204 I205 Y314 V317 L321 G322 P324	A197-Y201 WeakPolarHBondContact O-CB 3.37Å; A197-Y201 PolarHBondContact O-N 3.21Å; F198-Y201 WeakPolarHBondContact O-CB 3.29Å; F198-Y201 PolarHBondContact O-N 2.99Å; Y201-K204 PolarHBondContact O-N 3.2Å; Y201-I205 HydrophobicContact CE1-CG1 4.19Å; Y201-I205 WeakPolarHBondContact O-CG1 3.39Å; Y201-I205 PolarHBondContact O-N 3.5Å; Y201-Y314 WeakPolarHBondContact OH-CE2 3.15Å; Y201-Y314 PolarHBondContact OH-OH 2.79Å; Y201-V317 HydrophobicContact CD2-CG1 3.63Å; Y201-V317 HydrophobicContact CE2-CG1 3.77Å; Y201-V317 HydrophobicContact CG-CG1 4.36Å; Y201-L321 HydrophobicContact CD2-CB 4.19Å; Y201-L321 HydrophobicContact CD2-CD1 4.25Å; Y201-G322 VanDerWaalsContact CD2-O 3.24Å; Y201-G322 WeakPolarHBondContact CD2-O 3.21Å; Y201-G322 WeakPolarHBondContact CE2-O 3.21Å; Y201-P324 HydrophobicContact CD1-CG 3.7Å; Y201-P324 HydrophobicContact CD2-CG 4.45Å; Y201-P324 HydrophobicContact CE1-CG 4.09Å; Y201-P324 HydrophobicContact CG-CG 3.91Å
202	W	98.8	Very high	98.7	Very high	55 Å²	55	11.2 Å²	11.2	21%	0.208	5%	0.049	C	C	.	.	H	α-helix	trans	-67.6	-39.5	-178.5	-71.9	118.6	0	0	0	112.8	F198 L199 K204 I205 E206 L250 H254	F198-W202 AromaticContact CD2-NE1 3.85Å; F198-W202 AromaticContact CE1-CD1 3.78Å; F198-W202 AromaticContact CE2-CD1 3.6Å; F198-W202 AromaticContact CE2-NE1 3.11Å; F198-W202 AromaticContact CZ-CD1 3.44Å; F198-W202 VanDerWaalsContact CZ-CD1 3.44Å; F198-W202 AromaticContact CZ-NE1 3.19Å; F198-W202 PolarHBondContact O-N 3.45Å; L199-W202 PolarHBondContact O-N 3.3Å; W202-K204 VanDerWaalsContact C-N 3.28Å; W202-K204 PolarHBondContact O-N 3.38Å; W202-I205 PolarHBondContact O-N 2.76Å; W202-E206 WeakPolarHBondContact O-CB 3.46Å; W202-E206 VanDerWaalsContact O-CG 3.22Å; W202-E206 WeakPolarHBondContact O-CG 3.47Å; W202-E206 PolarHBondContact O-N 3Å; W202-L250 HydrophobicContact CB-CD2 4.13Å; W202-H254 HydrophobicContact CB-CB 4.5Å; W202-H254 AromaticContact CD1-CG 3.8Å; W202-H254 HydrophobicContact CD2-CB 4.3Å; W202-H254 AromaticContact CD2-CD2 3.93Å; W202-H254 AromaticContact CD2-CE1 3.54Å; W202-H254 AromaticContact CD2-CG 3.64Å; W202-H254 AromaticContact CD2-ND1 3.41Å; W202-H254 AromaticContact CD2-NE2 3.86Å; W202-H254 AromaticContact CE2-CG 3.96Å; W202-H254 AromaticContact CE2-ND1 3.57Å; W202-H254 AromaticContact CE3-CE1 3.28Å; W202-H254 AromaticContact CE3-ND1 3.64Å; W202-H254 AromaticContact CE3-NE2 3.69Å; W202-H254 HydrophobicContact CG-CB 3.92Å; W202-H254 AromaticContact CG-CD2 3.68Å; W202-H254 AromaticContact CG-CG 3.55Å; W202-H254 AromaticContact CG-ND1 3.88Å; W202-H254 AromaticContact CZ2-ND1 3.94Å; W202-H254 AromaticContact CZ3-CE1 3.64Å; W202-H254 AromaticContact CZ3-ND1 3.99Å
203	D	98.7	Very high	98.7	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-57.4	-44.8	174.6	-172.8	67.6	0	0	0	111	W171 L199 I205 E206 R207 L250 N388	W171-D203 HydrophobicContact CH2-CB 4.46Å; W171-D203 WeakPolarHBondContact CH2-OD1 3.46Å; W171-D203 HydrophobicContact CZ2-CB 4.45Å; L199-D203 VanDerWaalsContact O-CB 3.31Å; L199-D203 WeakPolarHBondContact O-CB 3.34Å; L199-D203 PolarHBondContact O-N 3.18Å; D203-I205 PolarHBondContact O-N 2.83Å; D203-E206 PolarHBondContact O-N 2.9Å; D203-R207 VanDerWaalsContact CG-NH2 3.33Å; D203-R207 WeakPolarHBondContact O-CB 3.35Å; D203-R207 PolarHBondContact O-N 2.94Å; D203-R207 IonicContact OD1-CZ 2.74Å; D203-R207 IonicContact OD1-NE 2.76Å; D203-R207 IonicContact OD1-NH2 3.21Å; D203-R207 PolarHBondContact OD1-NH2 2.89Å; D203-R207 IonicContact OD2-CZ 3.39Å; D203-R207 VanDerWaalsContact OD2-CZ 3.3Å; D203-R207 IonicContact OD2-NE 2.83Å; D203-R207 PolarHBondContact OD2-NE 2.96Å; D203-R207 IonicContact OD2-NH2 2.78Å; D203-R207 PolarHBondContact OD2-NH2 3.24Å; D203-L250 HydrophobicContact CB-CD1 3.65Å; D203-L250 HydrophobicContact CB-CD2 4.29Å; D203-N388 WeakPolarHBondContact OD1-CB 3.2Å; D203-N388 PolarHBondContact OD1-ND2 3.27Å
204	K	98.6	Very high	98.7	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-64.2	-41.7	-178.1	-161.1	61	57.8	171	0	112.1	F200 Y201 W202 C208 T238 S239 D240 M274 N275 L278 V317	F200-K204 WeakPolarHBondContact O-CB 3.32Å; F200-K204 PolarHBondContact O-N 3.29Å; Y201-K204 PolarHBondContact O-N 3.2Å; W202-K204 VanDerWaalsContact C-N 3.28Å; W202-K204 PolarHBondContact O-N 3.38Å; K204-C208 WeakPolarHBondContact O-CB 3.45Å; K204-C208 PolarHBondContact O-N 2.94Å; K204-C208 PolarHBondContact O-SG 3.21Å; K204-T238 HydrophobicContact CD-CG2 4.39Å; K204-T238 WeakPolarHBondContact CD-OG1 3.42Å; K204-T238 PolarHBondContact NZ-O 3.1Å; K204-S239 PolarHBondContact NZ-O 3.24Å; K204-D240 IonicContact NZ-OD1 3.62Å; K204-D240 PolarHBondContact NZ-OD1 3.09Å; K204-M274 HydrophobicContact CD-CE 4.49Å; K204-M274 HydrophobicContact CG-CE 4.31Å; K204-N275 PolarHBondContact NZ-OD1 3.38Å; K204-L278 HydrophobicContact CD-CD1 3.62Å; K204-L278 HydrophobicContact CG-CD1 3.51Å; K204-V317 HydrophobicContact CB-CG1 4.39Å; K204-V317 HydrophobicContact CB-CG2 4.31Å; K204-V317 HydrophobicContact CG-CG2 3.82Å
205	I	98.8	Very high	98.7	Very high	16 Å²	16	11.7 Å²	11.7	8%	0.082	5%	0.053	C	C	.	.	H	α-helix	trans	-64.7	-54.6	176.6	-63.6	-63.2	0	0	0	110.9	Y201 W202 D203 R207 C208 N209 M310 I313 Y314 V317	Y201-I205 HydrophobicContact CE1-CG1 4.19Å; Y201-I205 WeakPolarHBondContact O-CG1 3.39Å; Y201-I205 PolarHBondContact O-N 3.5Å; W202-I205 PolarHBondContact O-N 2.76Å; D203-I205 PolarHBondContact O-N 2.83Å; I205-R207 PolarHBondContact O-N 3.4Å; I205-C208 PolarHBondContact O-N 3.5Å; I205-N209 PolarHBondContact O-N 3.38Å; I205-M310 HydrophobicContact CG2-CE 3.91Å; I205-M310 VanDerWaalsContact O-CE 3.26Å; I205-M310 WeakPolarHBondContact O-CE 3.5Å; I205-I313 HydrophobicContact CD1-CG2 4.36Å; I205-Y314 HydrophobicContact CD1-CD2 3.96Å; I205-Y314 HydrophobicContact CD1-CG 4.42Å; I205-V317 HydrophobicContact CD1-CB 3.78Å; I205-V317 HydrophobicContact CD1-CG1 4.03Å; I205-V317 HydrophobicContact CD1-CG2 3.89Å; I205-V317 HydrophobicContact CG1-CG1 4.28Å
206	E	98.7	Very high	98.7	Very high	13 Å²	13	12.1 Å²	12.1	6%	0.061	6%	0.056	C	C	.	.	H	α-helix	trans	-62.9	-45.9	-175.8	-66.1	-75.6	-175.5	0	0	110.8	W202 D203 C208 N209 Y210 L250 K253 H254 N388 V389	W202-E206 WeakPolarHBondContact O-CB 3.46Å; W202-E206 VanDerWaalsContact O-CG 3.22Å; W202-E206 WeakPolarHBondContact O-CG 3.47Å; W202-E206 PolarHBondContact O-N 3Å; D203-E206 PolarHBondContact O-N 2.9Å; E206-C208 VanDerWaalsContact C-N 3.33Å; E206-C208 PolarHBondContact O-N 2.75Å; E206-N209 CarbonylContact O-C 3.6Å; E206-N209 WeakPolarHBondContact O-CA 3.44Å; E206-N209 VanDerWaalsContact O-CB 3.31Å; E206-N209 WeakPolarHBondContact O-CB 3.41Å; E206-N209 PolarHBondContact O-N 2.89Å; E206-Y210 WeakPolarHBondContact O-CB 3.47Å; E206-Y210 PolarHBondContact O-N 3.24Å; E206-L250 HydrophobicContact CG-CD2 4.33Å; E206-K253 VanDerWaalsContact CD-NZ 3.32Å; E206-K253 WeakPolarHBondContact OE1-CD 3.18Å; E206-K253 WeakPolarHBondContact OE1-CE 3.2Å; E206-K253 IonicContact OE1-NZ 2.84Å; E206-K253 PolarHBondContact OE1-NZ 3.12Å; E206-K253 IonicContact OE2-NZ 3.64Å; E206-K253 PolarHBondContact OE2-NZ 2.84Å; E206-H254 IonicContact OE1-CE1 3.3Å; E206-H254 PolarHBondContact OE1-CE1 3.31Å; E206-H254 IonicContact OE1-NE2 3.72Å; E206-H254 PolarHBondContact OE1-NE2 3.01Å; E206-N388 CarbonylContact C-O 3.52Å; E206-N388 VanDerWaalsContact CB-O 3.25Å; E206-N388 WeakPolarHBondContact CB-O 3.35Å; E206-V389 HydrophobicContact CB-CG2 3.91Å; E206-V389 HydrophobicContact CG-CG2 3.95Å
207	R	98.4	Very high	98.7	Very high	22 Å²	22	16.6 Å²	16.6	8%	0.083	8%	0.075	C	C	.	.	H	α-helix	trans	-62.9	-38.4	-179.2	-175.7	-177.8	-59.6	-98.7	6.6	112.8	D203 I205 N209 Y210 F211 S239 G241 N388	D203-R207 VanDerWaalsContact CG-NH2 3.33Å; D203-R207 WeakPolarHBondContact O-CB 3.35Å; D203-R207 PolarHBondContact O-N 2.94Å; D203-R207 IonicContact OD1-CZ 2.74Å; D203-R207 IonicContact OD1-NE 2.76Å; D203-R207 IonicContact OD1-NH2 3.21Å; D203-R207 PolarHBondContact OD1-NH2 2.89Å; D203-R207 IonicContact OD2-CZ 3.39Å; D203-R207 VanDerWaalsContact OD2-CZ 3.3Å; D203-R207 IonicContact OD2-NE 2.83Å; D203-R207 PolarHBondContact OD2-NE 2.96Å; D203-R207 IonicContact OD2-NH2 2.78Å; D203-R207 PolarHBondContact OD2-NH2 3.24Å; I205-R207 PolarHBondContact O-N 3.4Å; R207-N209 VanDerWaalsContact C-N 3.33Å; R207-Y210 PolarHBondContact O-N 3.12Å; R207-F211 WeakPolarHBondContact O-CB 3.49Å; R207-F211 PolarHBondContact O-N 2.85Å; R207-S239 WeakPolarHBondContact CD-O 3.27Å; R207-G241 PolarHBondContact NH1-O 3.32Å; R207-G241 VanDerWaalsContact NH1-O 3.15Å; R207-G241 PolarHBondContact NH2-O 3Å; R207-N388 WeakPolarHBondContact CA-O 3.46Å; R207-N388 HydrophobicContact CB-CB 4.26Å; R207-N388 PolarHBondContact N-O 3.38Å; R207-N388 VanDerWaalsContact N-O 3.17Å
208	C	98.8	Very high	98.6	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-60.4	-45.5	172.5	-76	0	0	0	0	111.3	K204 I205 E206 Y210 F211 L212 L282 M310 I313	K204-C208 WeakPolarHBondContact O-CB 3.45Å; K204-C208 PolarHBondContact O-N 2.94Å; K204-C208 PolarHBondContact O-SG 3.21Å; I205-C208 PolarHBondContact O-N 3.5Å; E206-C208 VanDerWaalsContact C-N 3.33Å; E206-C208 PolarHBondContact O-N 2.75Å; C208-Y210 VanDerWaalsContact C-N 3.34Å; C208-Y210 PolarHBondContact O-N 3.2Å; C208-F211 PolarHBondContact O-N 3.43Å; C208-L212 WeakPolarHBondContact O-CG 2.86Å; C208-L212 PolarHBondContact O-N 3.3Å; C208-L212 VanDerWaalsContact O-N 3.07Å; C208-L282 HydrophobicContact CB-CD2 4.07Å; C208-M310 HydrophobicContact CB-CE 4.34Å; C208-M310 HydrophobicContact CB-SD 4.1Å; C208-I313 HydrophobicContact CB-CD1 3.84Å; C208-I313 HydrophobicContact CB-CG2 3.78Å
209	N	98.8	Very high	98.6	Very high	39 Å²	39	17.4 Å²	17.4	21%	0.209	8%	0.082	C	C	.	.	H	α-helix	trans	-62.3	-42.2	175.9	-175.1	38.7	0	0	0	111.6	I205 E206 R207 L212 N213 I306 M310	I205-N209 PolarHBondContact O-N 3.38Å; E206-N209 CarbonylContact O-C 3.6Å; E206-N209 WeakPolarHBondContact O-CA 3.44Å; E206-N209 VanDerWaalsContact O-CB 3.31Å; E206-N209 WeakPolarHBondContact O-CB 3.41Å; E206-N209 PolarHBondContact O-N 2.89Å; R207-N209 VanDerWaalsContact C-N 3.33Å; N209-L212 PolarHBondContact O-N 3.15Å; N209-N213 PolarHBondContact O-N 2.87Å; N209-N213 PolarHBondContact O-ND2 2.9Å; N209-N213 PolarHBondContact OD1-ND2 2.83Å; N209-I306 WeakPolarHBondContact OD1-CG2 3.44Å; N209-M310 HydrophobicContact CB-CE 3.97Å; N209-M310 HydrophobicContact CB-CG 4.33Å; N209-M310 HydrophobicContact CB-SD 3.75Å
210	Y	98.6	Very high	98.5	Very high	39 Å²	39	22.9 Å²	22.9	15%	0.153	11%	0.108	C	C	.	.	H	α-helix	trans	-61.2	-44.2	176.6	-169.1	-93.4	0	0	0	112.2	E206 R207 C208 N213 N214 C385 G387 N388 V390	E206-Y210 WeakPolarHBondContact O-CB 3.47Å; E206-Y210 PolarHBondContact O-N 3.24Å; R207-Y210 PolarHBondContact O-N 3.12Å; C208-Y210 VanDerWaalsContact C-N 3.34Å; C208-Y210 PolarHBondContact O-N 3.2Å; Y210-N213 PolarHBondContact O-N 3.03Å; Y210-N214 VanDerWaalsContact CD1-ND2 3.31Å; Y210-N214 WeakPolarHBondContact CD1-ND2 3.39Å; Y210-N214 WeakPolarHBondContact CE1-ND2 3.48Å; Y210-N214 PolarHBondContact O-N 3.17Å; Y210-C385 WeakPolarHBondContact CE1-O 3.48Å; Y210-G387 VanDerWaalsContact CD1-O 3.28Å; Y210-G387 WeakPolarHBondContact CD1-O 3.46Å; Y210-N388 WeakPolarHBondContact CB-O 3.44Å; Y210-V390 HydrophobicContact CD2-CG2 4.03Å
211	F	98.7	Very high	98.5	Very high	9 Å²	9	28.3 Å²	28.3	4%	0.039	13%	0.128	C	C	.	.	H	α-helix	trans	-59	-49.1	173.9	169.3	-94.5	0	0	0	112	R207 C208 N213 N214 V215 L233 L234 P237 L282 A286	R207-F211 WeakPolarHBondContact O-CB 3.49Å; R207-F211 PolarHBondContact O-N 2.85Å; C208-F211 PolarHBondContact O-N 3.43Å; F211-N213 VanDerWaalsContact C-N 3.29Å; F211-N213 PolarHBondContact O-N 2.8Å; F211-N214 CarbonylContact O-C 3.18Å; F211-N214 WeakPolarHBondContact O-CA 3.42Å; F211-N214 PolarHBondContact O-N 3.47Å; F211-V215 HydrophobicContact CD1-CG2 4.26Å; F211-V215 HydrophobicContact CE1-CG2 3.71Å; F211-V215 HydrophobicContact CE2-CG2 4.02Å; F211-V215 HydrophobicContact CZ-CG2 3.57Å; F211-V215 WeakPolarHBondContact O-CG2 3.49Å; F211-V215 PolarHBondContact O-N 3.37Å; F211-L233 HydrophobicContact CE2-CB 4.08Å; F211-L233 VanDerWaalsContact CE2-O 3.31Å; F211-L233 WeakPolarHBondContact CE2-O 3.19Å; F211-L234 HydrophobicContact CZ-CD2 4.02Å; F211-P237 HydrophobicContact CD1-CB 4.05Å; F211-P237 HydrophobicContact CD2-CB 3.45Å; F211-P237 VanDerWaalsContact CD2-CB 3.45Å; F211-P237 HydrophobicContact CE1-CB 4.02Å; F211-P237 HydrophobicContact CE2-CB 3.44Å; F211-P237 VanDerWaalsContact CE2-CB 3.44Å; F211-P237 HydrophobicContact CG-CB 3.77Å; F211-P237 HydrophobicContact CZ-CB 3.72Å; F211-L282 HydrophobicContact CD1-CB 4.15Å; F211-L282 HydrophobicContact CD1-CD2 3.84Å; F211-L282 HydrophobicContact CD1-CG 4.44Å; F211-L282 HydrophobicContact CE1-CB 3.9Å; F211-L282 HydrophobicContact CE1-CD2 4.36Å; F211-A286 HydrophobicContact CE1-CB 4.11Å; F211-A286 HydrophobicContact CZ-CB 4.01Å
212	L	98.8	Very high	98.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-60.2	-40.2	179.6	-65.4	177.5	0	0	0	111.7	C208 N209 V215 V216 L282 Y285 L289 I306 Q309 M310 I313	C208-L212 WeakPolarHBondContact O-CG 2.86Å; C208-L212 PolarHBondContact O-N 3.3Å; C208-L212 VanDerWaalsContact O-N 3.07Å; N209-L212 PolarHBondContact O-N 3.15Å; L212-V215 WeakPolarHBondContact O-CB 3.47Å; L212-V215 PolarHBondContact O-N 2.85Å; L212-V216 PolarHBondContact O-N 3.2Å; L212-L282 HydrophobicContact CD2-CD2 4.16Å; L212-L282 HydrophobicContact CG-CD2 4.32Å; L212-Y285 HydrophobicContact CD2-CD2 4.24Å; L212-Y285 HydrophobicContact CD2-CG 4.45Å; L212-L289 HydrophobicContact CB-CD1 3.93Å; L212-L289 HydrophobicContact CD2-CD1 3.77Å; L212-L289 HydrophobicContact CG-CD1 4.37Å; L212-I306 HydrophobicContact CB-CD1 4.47Å; L212-I306 HydrophobicContact CB-CG1 4.33Å; L212-I306 HydrophobicContact CB-CG2 4.4Å; L212-I306 HydrophobicContact CD1-CG2 4.23Å; L212-Q309 HydrophobicContact CD1-CB 4.03Å; L212-M310 HydrophobicContact CD1-CG 4.25Å; L212-M310 HydrophobicContact CD1-SD 4.01Å; L212-I313 HydrophobicContact CD1-CD1 4.28Å
213	N	98.6	Very high	98.4	Very high	39 Å²	39	31.6 Å²	31.6	21%	0.209	16%	0.162	C	C	.	.	H	α-helix	trans	-65.7	-36.8	173.5	-80.7	-91.4	0	0	0	112.4	N209 Y210 F211 V215 V216 K217 V390	N209-N213 PolarHBondContact O-N 2.87Å; N209-N213 PolarHBondContact O-ND2 2.9Å; N209-N213 PolarHBondContact OD1-ND2 2.83Å; Y210-N213 PolarHBondContact O-N 3.03Å; F211-N213 VanDerWaalsContact C-N 3.29Å; F211-N213 PolarHBondContact O-N 2.8Å; N213-V215 VanDerWaalsContact C-N 3.34Å; N213-V216 PolarHBondContact O-N 3Å; N213-K217 WeakPolarHBondContact O-CG 3.38Å; N213-K217 PolarHBondContact O-N 3.2Å; N213-V390 HydrophobicContact CB-CG2 4.13Å
214	N	98.4	Very high	98.3	Very high	6 Å²	6	38.7 Å²	38.7	3%	0.032	19%	0.193	C	C	.	.	H	α-helix	trans	-69	-30.4	174.1	-76	-17.2	0	0	0	113	Y210 F211 V216 K217 T218 L233 C385	Y210-N214 VanDerWaalsContact CD1-ND2 3.31Å; Y210-N214 WeakPolarHBondContact CD1-ND2 3.39Å; Y210-N214 WeakPolarHBondContact CE1-ND2 3.48Å; Y210-N214 PolarHBondContact O-N 3.17Å; F211-N214 CarbonylContact O-C 3.18Å; F211-N214 WeakPolarHBondContact O-CA 3.42Å; F211-N214 PolarHBondContact O-N 3.47Å; N214-V216 VanDerWaalsContact C-N 3.33Å; N214-K217 PolarHBondContact O-N 3.23Å; N214-T218 WeakPolarHBondContact O-CB 3.38Å; N214-T218 VanDerWaalsContact O-CG2 3.26Å; N214-T218 WeakPolarHBondContact O-CG2 3.41Å; N214-T218 PolarHBondContact O-N 3.15Å; N214-T218 PolarHBondContact O-OG1 3.03Å; N214-L233 HydrophobicContact CB-CD1 4.42Å; N214-C385 PolarHBondContact ND2-O 2.91Å
215	V	98.7	Very high	98.2	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.024	22%	0.216	C	C	.	.	H	α-helix	trans	-61.9	-43.4	170.3	174.7	0	0	0	0	110.8	F211 L212 N213 T218 A219 A286 L289 R290	F211-V215 HydrophobicContact CD1-CG2 4.26Å; F211-V215 HydrophobicContact CE1-CG2 3.71Å; F211-V215 HydrophobicContact CE2-CG2 4.02Å; F211-V215 HydrophobicContact CZ-CG2 3.57Å; F211-V215 WeakPolarHBondContact O-CG2 3.49Å; F211-V215 PolarHBondContact O-N 3.37Å; L212-V215 WeakPolarHBondContact O-CB 3.47Å; L212-V215 PolarHBondContact O-N 2.85Å; N213-V215 VanDerWaalsContact C-N 3.34Å; V215-T218 WeakPolarHBondContact CA-OG1 3.43Å; V215-T218 PolarHBondContact O-OG1 3.5Å; V215-A219 WeakPolarHBondContact O-CB 3.1Å; V215-A219 PolarHBondContact O-N 2.96Å; V215-A286 HydrophobicContact CG1-CB 4.08Å; V215-A286 HydrophobicContact CG2-CB 3.73Å; V215-L289 HydrophobicContact CB-CD1 4.49Å; V215-L289 HydrophobicContact CG1-CB 4.15Å; V215-R290 HydrophobicContact CG1-CG 3.7Å
216	V	98.6	Very high	98.1	Very high	9 Å²	9	47.8 Å²	47.8	6%	0.055	24%	0.244	C	C	.	.	H	α-helix	trans	-63.6	-50.5	175.5	173.7	0	0	0	0	110.7	L212 N213 N214 T218 A219 Q220 L289 M293 I302 I306	L212-V216 PolarHBondContact O-N 3.2Å; N213-V216 PolarHBondContact O-N 3Å; N214-V216 VanDerWaalsContact C-N 3.33Å; V216-T218 VanDerWaalsContact C-N 3.35Å; V216-T218 PolarHBondContact O-N 3.39Å; V216-A219 WeakPolarHBondContact O-CB 3.42Å; V216-A219 PolarHBondContact O-N 3.41Å; V216-A219 VanDerWaalsContact O-N 3.14Å; V216-Q220 HydrophobicContact CG1-CG 4.42Å; V216-Q220 WeakPolarHBondContact O-CG 3.09Å; V216-Q220 PolarHBondContact O-N 2.95Å; V216-L289 HydrophobicContact CG2-CD1 4.39Å; V216-L289 HydrophobicContact CG2-CD2 4.31Å; V216-M293 HydrophobicContact CG1-SD 3.94Å; V216-I302 HydrophobicContact CB-CG2 4.48Å; V216-I302 HydrophobicContact CG1-CD1 4.15Å; V216-I302 HydrophobicContact CG1-CG2 4.04Å; V216-I302 HydrophobicContact CG2-CG2 3.71Å; V216-I306 HydrophobicContact CG2-CD1 4.19Å
217	K	97.9	Very high	98.1	Very high	95 Å²	95	48 Å²	48	41%	0.413	25%	0.251	S	S	.	.	H	α-helix	trans	-58.9	-42.5	179.3	-70.8	174.6	-178.1	179.1	0	112.7	N213 N214 Q220 R221	N213-K217 WeakPolarHBondContact O-CG 3.38Å; N213-K217 PolarHBondContact O-N 3.2Å; N214-K217 PolarHBondContact O-N 3.23Å; K217-Q220 PolarHBondContact O-N 2.88Å; K217-R221 WeakPolarHBondContact O-CG 3.45Å; K217-R221 PolarHBondContact O-N 3.45Å
218	T	98.4	Very high	98	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.006	28%	0.278	C	S	.	.	H	α-helix	trans	-65.4	-39.9	176.2	50.2	0	0	0	0	111.9	N214 V215 V216 R221 G222 E223 L229 V230 L233	N214-T218 WeakPolarHBondContact O-CB 3.38Å; N214-T218 VanDerWaalsContact O-CG2 3.26Å; N214-T218 WeakPolarHBondContact O-CG2 3.41Å; N214-T218 PolarHBondContact O-N 3.15Å; N214-T218 PolarHBondContact O-OG1 3.03Å; V215-T218 WeakPolarHBondContact CA-OG1 3.43Å; V215-T218 PolarHBondContact O-OG1 3.5Å; V216-T218 VanDerWaalsContact C-N 3.35Å; V216-T218 PolarHBondContact O-N 3.39Å; T218-R221 PolarHBondContact O-N 3Å; T218-G222 PolarHBondContact O-N 3.14Å; T218-E223 VanDerWaalsContact O-CB 3.27Å; T218-E223 WeakPolarHBondContact O-CB 2.98Å; T218-E223 PolarHBondContact O-N 2.65Å; T218-L229 HydrophobicContact CG2-CD2 4.04Å; T218-L229 HydrophobicContact CG2-CG 4.2Å; T218-V230 HydrophobicContact CG2-CG2 4.45Å; T218-L233 HydrophobicContact CG2-CD1 3.79Å
219	A	98.3	Very high	98	Very high	19 Å²	19	55.8 Å²	55.8	16%	0.157	28%	0.281	C	S	.	.	H	α-helix	trans	-62.8	-42.9	173.8	0	0	0	0	0	112.1	V215 V216 R221 G222 R290 M293	V215-A219 WeakPolarHBondContact O-CB 3.1Å; V215-A219 PolarHBondContact O-N 2.96Å; V216-A219 WeakPolarHBondContact O-CB 3.42Å; V216-A219 PolarHBondContact O-N 3.41Å; V216-A219 VanDerWaalsContact O-N 3.14Å; A219-R221 VanDerWaalsContact C-N 3.3Å; A219-R221 PolarHBondContact O-N 3.44Å; A219-G222 PolarHBondContact O-N 2.97Å; A219-R290 HydrophobicContact CB-CG 4.44Å; A219-M293 HydrophobicContact CB-CB 4.02Å; A219-M293 HydrophobicContact CB-CG 3.8Å
220	Q	97.3	Very high	98	Very high	114 Å²	114	54.2 Å²	54.2	53%	0.533	27%	0.272	S	S	.	.	H	α-helix	trans	-61.4	-35.8	175.1	-71.2	172.3	-30.1	0	0	112.6	V216 K217 G222 M293	V216-Q220 HydrophobicContact CG1-CG 4.42Å; V216-Q220 WeakPolarHBondContact O-CG 3.09Å; V216-Q220 PolarHBondContact O-N 2.95Å; K217-Q220 PolarHBondContact O-N 2.88Å; Q220-G222 PolarHBondContact O-N 2.9Å; Q220-M293 HydrophobicContact CG-CE 3.52Å
221	R	97.3	Very high	97.9	Very high	114 Å²	114	55 Å²	55	43%	0.43	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-4.8	173.6	-71.2	-174.9	-65.6	-179.5	-4.6	114	K217 T218 A219 E223 L229 D384 C385	K217-R221 WeakPolarHBondContact O-CG 3.45Å; K217-R221 PolarHBondContact O-N 3.45Å; T218-R221 PolarHBondContact O-N 3Å; A219-R221 VanDerWaalsContact C-N 3.3Å; A219-R221 PolarHBondContact O-N 3.44Å; R221-E223 VanDerWaalsContact C-N 3.31Å; R221-E223 HydrophobicContact CB-CG 4.17Å; R221-L229 VanDerWaalsContact NH2-CD2 3.33Å; R221-D384 IonicContact CZ-OD2 2.89Å; R221-D384 IonicContact NH1-OD1 2.95Å; R221-D384 IonicContact NH1-OD2 3.7Å; R221-D384 PolarHBondContact NH1-OD2 2.66Å; R221-D384 IonicContact NH2-OD2 2.76Å; R221-C385 PolarHBondContact NH2-SG 3.11Å
222	G	97.4	Very high	97.9	Very high	59 Å²	59	57.4 Å²	57.4	61%	0.608	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	14.4	-176.7	0	0	0	0	0	114.2	T218 A219 Q220 K224	T218-G222 PolarHBondContact O-N 3.14Å; A219-G222 PolarHBondContact O-N 2.97Å; Q220-G222 PolarHBondContact O-N 2.9Å; G222-K224 PolarHBondContact O-N 2.63Å
223	E	98.1	Very high	97.8	Very high	66 Å²	66	58.3 Å²	58.3	31%	0.308	30%	0.299	S	S	.	.			trans	-65.8	129.3	178.4	-67.2	-70.3	167.1	0	0	110.7	T218 R221 L229 V230 R290	T218-E223 VanDerWaalsContact O-CB 3.27Å; T218-E223 WeakPolarHBondContact O-CB 2.98Å; T218-E223 PolarHBondContact O-N 2.65Å; R221-E223 VanDerWaalsContact C-N 3.31Å; R221-E223 HydrophobicContact CB-CG 4.17Å; E223-L229 HydrophobicContact CG-CD2 4.17Å; E223-V230 HydrophobicContact CB-CG2 3.78Å; E223-R290 PolarHBondContact O-NH1 3.31Å; E223-R290 VanDerWaalsContact O-NH1 3.12Å; E223-R290 PolarHBondContact O-NH2 3.38Å
224	K	97.1	Very high	97.8	Very high	148 Å²	148	58.3 Å²	58.3	64%	0.643	30%	0.299	S	S	*	.			trans	-75.4	150.5	177.9	-61.1	-175.5	177.8	-180	0	111.1	G222 D226 G227 V230	G222-K224 PolarHBondContact O-N 2.63Å; K224-D226 VanDerWaalsContact C-N 3.28Å; K224-D226 VanDerWaalsContact CB-OD1 3.23Å; K224-D226 WeakPolarHBondContact CB-OD1 3.25Å; K224-D226 PolarHBondContact O-N 3.07Å; K224-G227 WeakPolarHBondContact O-CA 3.45Å; K224-G227 PolarHBondContact O-N 2.97Å; K224-V230 WeakPolarHBondContact O-CB 3.44Å; K224-V230 WeakPolarHBondContact O-CG2 3.38Å
225	V	96.6	Very high	97.7	Very high	81 Å²	81	62.8 Å²	62.8	49%	0.491	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-34.5	-178.8	66.9	0	0	0	0	113	G227 V230 L234	V225-G227 VanDerWaalsContact C-N 3.32Å; V225-V230 HydrophobicContact CG2-CG1 4.27Å; V225-L234 HydrophobicContact CG2-CD1 4.35Å
226	D	96.6	Very high	97.5	Very high	126 Å²	126	65 Å²	65	67%	0.674	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	1.6	174.4	62.5	-19.8	0	0	0	112.8	K224	K224-D226 VanDerWaalsContact C-N 3.28Å; K224-D226 VanDerWaalsContact CB-OD1 3.23Å; K224-D226 WeakPolarHBondContact CB-OD1 3.25Å; K224-D226 PolarHBondContact O-N 3.07Å
227	G	97.9	Very high	97.4	Very high	19 Å²	19	65 Å²	65	20%	0.196	33%	0.334	C	S	.	.	S	Bend	trans	-66.9	153.8	171.6	0	0	0	0	0	111.3	K224 V225 L229 V230 S231	K224-G227 WeakPolarHBondContact O-CA 3.45Å; K224-G227 PolarHBondContact O-N 2.97Å; V225-G227 VanDerWaalsContact C-N 3.32Å; G227-L229 VanDerWaalsContact C-N 3.28Å; G227-L229 PolarHBondContact O-N 3.39Å; G227-V230 PolarHBondContact O-N 3.26Å; G227-S231 VanDerWaalsContact O-CB 3.25Å; G227-S231 WeakPolarHBondContact O-CB 3.22Å; G227-S231 PolarHBondContact O-N 2.94Å; G227-S231 PolarHBondContact O-OG 2.95Å
228	R	97.9	Very high	97.3	Very high	173 Å²	173	60.5 Å²	60.5	65%	0.653	31%	0.314	S	S	*	.	H	α-helix	trans	-55.5	-41.8	-176	-171.1	175.8	-177.7	175.4	2.5	112.6	F232 W543	R228-F232 VanDerWaalsContact O-CB 3.26Å; R228-F232 WeakPolarHBondContact O-CB 3.34Å; R228-F232 PolarHBondContact O-N 3.36Å; R228-W543 HydrophobicContact CB-CH2 4.23Å; R228-W543 HydrophobicContact CB-CZ3 4.15Å; R228-W543 HydrophobicContact CG-CD2 4.29Å; R228-W543 HydrophobicContact CG-CE3 3.95Å; R228-W543 HydrophobicContact CG-CH2 3.92Å; R228-W543 HydrophobicContact CG-CZ2 4.26Å; R228-W543 HydrophobicContact CG-CZ3 3.76Å
229	L	98.1	Very high	97.1	Very high	11 Å²	11	61.2 Å²	61.2	6%	0.058	32%	0.32	C	S	.	.	H	α-helix	trans	-66.4	-53	-178.7	-179.8	53.4	0	0	0	112.4	T218 R221 E223 G227 S231 F232 L233 A542 W543	T218-L229 HydrophobicContact CG2-CD2 4.04Å; T218-L229 HydrophobicContact CG2-CG 4.2Å; R221-L229 VanDerWaalsContact NH2-CD2 3.33Å; E223-L229 HydrophobicContact CG-CD2 4.17Å; G227-L229 VanDerWaalsContact C-N 3.28Å; G227-L229 PolarHBondContact O-N 3.39Å; L229-S231 VanDerWaalsContact C-N 3.33Å; L229-S231 PolarHBondContact O-N 3.38Å; L229-F232 WeakPolarHBondContact O-CB 3.47Å; L229-F232 PolarHBondContact O-N 3.02Å; L229-L233 HydrophobicContact CD1-CD1 4.43Å; L229-L233 HydrophobicContact CD1-CG 4.35Å; L229-L233 WeakPolarHBondContact O-CG 3.37Å; L229-L233 PolarHBondContact O-N 2.79Å; L229-A542 HydrophobicContact CD1-CB 3.48Å; L229-A542 VanDerWaalsContact CD1-CB 3.48Å; L229-W543 HydrophobicContact CB-CZ3 4.1Å; L229-W543 HydrophobicContact CD1-CZ3 4.37Å
230	V	98.2	Very high	97.1	Very high	6 Å²	6	60.7 Å²	60.7	4%	0.036	31%	0.314	C	S	.	.	H	α-helix	trans	-66.6	-38.9	-179	-177.9	0	0	0	0	110.8	T218 E223 K224 V225 G227 F232 L233 L234	T218-V230 HydrophobicContact CG2-CG2 4.45Å; E223-V230 HydrophobicContact CB-CG2 3.78Å; K224-V230 WeakPolarHBondContact O-CB 3.44Å; K224-V230 WeakPolarHBondContact O-CG2 3.38Å; V225-V230 HydrophobicContact CG2-CG1 4.27Å; G227-V230 PolarHBondContact O-N 3.26Å; V230-F232 VanDerWaalsContact C-N 3.33Å; V230-F232 PolarHBondContact O-N 3.41Å; V230-L233 PolarHBondContact O-N 3.29Å; V230-L234 HydrophobicContact CG1-CD1 3.88Å; V230-L234 HydrophobicContact CG1-CG 4.35Å; V230-L234 VanDerWaalsContact O-CG 3.27Å; V230-L234 WeakPolarHBondContact O-CG 3.43Å; V230-L234 PolarHBondContact O-N 3.25Å
231	S	97.8	Very high	97	Very high	55 Å²	55	55.6 Å²	55.6	39%	0.385	29%	0.292	S	S	.	.	H	α-helix	trans	-59.9	-42.6	174	-61.3	0	0	0	0	111.9	G227 L229 L234 L235	G227-S231 VanDerWaalsContact O-CB 3.25Å; G227-S231 WeakPolarHBondContact O-CB 3.22Å; G227-S231 PolarHBondContact O-N 2.94Å; G227-S231 PolarHBondContact O-OG 2.95Å; L229-S231 VanDerWaalsContact C-N 3.33Å; L229-S231 PolarHBondContact O-N 3.38Å; S231-L234 PolarHBondContact O-N 3.28Å; S231-L235 PolarHBondContact O-N 3.49Å
232	F	97.4	Very high	97	Very high	61 Å²	61	50.3 Å²	50.3	27%	0.268	27%	0.273	S	S	.	.	H	α-helix	trans	-62.3	-47.2	175	172.9	-98.7	0	0	0	112.2	R228 L229 V230 L234 L235 A542 W543	R228-F232 VanDerWaalsContact O-CB 3.26Å; R228-F232 WeakPolarHBondContact O-CB 3.34Å; R228-F232 PolarHBondContact O-N 3.36Å; L229-F232 WeakPolarHBondContact O-CB 3.47Å; L229-F232 PolarHBondContact O-N 3.02Å; V230-F232 VanDerWaalsContact C-N 3.33Å; V230-F232 PolarHBondContact O-N 3.41Å; F232-L234 PolarHBondContact O-N 3.35Å; F232-L235 VanDerWaalsContact O-CB 3.26Å; F232-L235 WeakPolarHBondContact O-CB 3.46Å; F232-L235 PolarHBondContact O-N 2.79Å; F232-L235 VanDerWaalsContact O-N 3.11Å; F232-A542 HydrophobicContact CD1-CB 3.76Å; F232-A542 VanDerWaalsContact CE1-C 3.43Å; F232-A542 HydrophobicContact CE1-CB 3.76Å; F232-A542 WeakPolarHBondContact CE1-O 3.41Å; F232-A542 WeakPolarHBondContact CZ-O 3.39Å; F232-W543 HydrophobicContact CB-CE3 4.42Å; F232-W543 HydrophobicContact CD2-CB 3.67Å; F232-W543 HydrophobicContact CE2-CB 3.72Å; F232-W543 HydrophobicContact CG-CB 4.09Å; F232-W543 HydrophobicContact CZ-CB 4.2Å
233	L	97.7	Very high	97	Very high	19 Å²	19	47.6 Å²	47.6	10%	0.099	25%	0.245	C	C	.	.	H	α-helix	trans	-61.6	-32.8	178.3	-65.2	177.8	0	0	0	112.5	F211 N214 T218 L229 V230 C385	F211-L233 HydrophobicContact CE2-CB 4.08Å; F211-L233 VanDerWaalsContact CE2-O 3.31Å; F211-L233 WeakPolarHBondContact CE2-O 3.19Å; N214-L233 HydrophobicContact CB-CD1 4.42Å; T218-L233 HydrophobicContact CG2-CD1 3.79Å; L229-L233 HydrophobicContact CD1-CD1 4.43Å; L229-L233 HydrophobicContact CD1-CG 4.35Å; L229-L233 WeakPolarHBondContact O-CG 3.37Å; L229-L233 PolarHBondContact O-N 2.79Å; V230-L233 PolarHBondContact O-N 3.29Å; L233-C385 HydrophobicContact CD2-CB 3.86Å
234	L	98.1	Very high	97	Very high	39 Å²	39	44.6 Å²	44.6	20%	0.204	23%	0.23	C	C	.	.	H	α-helix	trans	-78.4	-17.1	178.4	-69	169.6	0	0	0	113.7	F211 V225 V230 S231 F232 R283 A286	F211-L234 HydrophobicContact CZ-CD2 4.02Å; V225-L234 HydrophobicContact CG2-CD1 4.35Å; V230-L234 HydrophobicContact CG1-CD1 3.88Å; V230-L234 HydrophobicContact CG1-CG 4.35Å; V230-L234 VanDerWaalsContact O-CG 3.27Å; V230-L234 WeakPolarHBondContact O-CG 3.43Å; V230-L234 PolarHBondContact O-N 3.25Å; S231-L234 PolarHBondContact O-N 3.28Å; F232-L234 PolarHBondContact O-N 3.35Å; L234-R283 HydrophobicContact CD2-CG 4.06Å; L234-R283 PolarHBondContact O-NE 3.48Å; L234-R283 PolarHBondContact O-NH2 3.4Å; L234-A286 HydrophobicContact CD2-CB 3.79Å
235	L	96.1	Very high	97	Very high	100 Å²	100	38 Å²	38	52%	0.524	20%	0.202	S	C	.	.	H	α-helix	trans	-62.5	-55.6	179.8	-177.2	64.7	0	0	0	110.6	S231 F232 R283	S231-L235 PolarHBondContact O-N 3.49Å; F232-L235 VanDerWaalsContact O-CB 3.26Å; F232-L235 WeakPolarHBondContact O-CB 3.46Å; F232-L235 PolarHBondContact O-N 2.79Å; F232-L235 VanDerWaalsContact O-N 3.11Å; L235-R283 PolarHBondContact O-NH2 3.35Å
236	D	95.7	Very high	97.1	Very high	51 Å²	51	34.1 Å²	34.1	27%	0.273	18%	0.179	S	C	.	.			trans	-138.3	79.7	175.7	-163.7	-12.9	0	0	0	112.7	T238 S239 K279	D236-T238 PolarHBondContact O-N 3.19Å; D236-T238 VanDerWaalsContact O-N 3.09Å; D236-T238 PolarHBondContact OD1-N 2.87Å; D236-S239 WeakPolarHBondContact OD1-CA 3.16Å; D236-S239 PolarHBondContact OD1-N 3.35Å; D236-K279 WeakPolarHBondContact OD1-CE 3.35Å; D236-K279 IonicContact OD1-NZ 3.51Å; D236-K279 PolarHBondContact OD1-NZ 2.94Å; D236-K279 IonicContact OD2-NZ 3.44Å; D236-K279 PolarHBondContact OD2-NZ 2.68Å
237	P	96.2	Very high	97.2	Very high	8 Å²	8	28.2 Å²	28.2	5%	0.052	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-9.2	-175.3	29.9	-39.3	0	0	0	114.2	F211 K279 L282	F211-P237 HydrophobicContact CD1-CB 4.05Å; F211-P237 HydrophobicContact CD2-CB 3.45Å; F211-P237 VanDerWaalsContact CD2-CB 3.45Å; F211-P237 HydrophobicContact CE1-CB 4.02Å; F211-P237 HydrophobicContact CE2-CB 3.44Å; F211-P237 VanDerWaalsContact CE2-CB 3.44Å; F211-P237 HydrophobicContact CG-CB 3.77Å; F211-P237 HydrophobicContact CZ-CB 3.72Å; P237-K279 HydrophobicContact CG-CB 4.37Å; P237-K279 HydrophobicContact CG-CG 4.04Å; P237-L282 HydrophobicContact CB-CB 4.16Å; P237-L282 HydrophobicContact CB-CD1 3.96Å; P237-L282 HydrophobicContact CG-CB 3.99Å; P237-L282 HydrophobicContact CG-CD1 3.92Å
238	T	94.4	Very high	97.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-151.9	48.6	-174.3	-158.9	0	0	0	0	111.9	K204 D236 L278 K279 L282	K204-T238 HydrophobicContact CD-CG2 4.39Å; K204-T238 WeakPolarHBondContact CD-OG1 3.42Å; K204-T238 PolarHBondContact NZ-O 3.1Å; D236-T238 PolarHBondContact O-N 3.19Å; D236-T238 VanDerWaalsContact O-N 3.09Å; D236-T238 PolarHBondContact OD1-N 2.87Å; T238-L278 HydrophobicContact CG2-CB 3.87Å; T238-L278 HydrophobicContact CG2-CD1 4.48Å; T238-K279 HydrophobicContact CG2-CG 3.97Å; T238-L282 HydrophobicContact CG2-CD1 3.77Å
239	S	94.8	Very high	97.3	Very high	17 Å²	17	19.6 Å²	19.6	12%	0.119	11%	0.109	C	C	.	.			trans	-54.3	153.2	173.4	-178.9	0	0	0	0	111	K204 R207 D236 G241	K204-S239 PolarHBondContact NZ-O 3.24Å; R207-S239 WeakPolarHBondContact CD-O 3.27Å; D236-S239 WeakPolarHBondContact OD1-CA 3.16Å; D236-S239 PolarHBondContact OD1-N 3.35Å; S239-G241 VanDerWaalsContact C-N 3.27Å; S239-G241 PolarHBondContact OG-N 3.2Å
240	D	98	Very high	97.3	Very high	8 Å²	8	19 Å²	19	4%	0.043	11%	0.107	C	C	.	.	S	Bend	trans	-75.5	-22.4	173.7	-70.2	-8.1	0	0	0	112.2	G168 W171 F200 K204 S271 N275	G168-D240 PolarHBondContact N-OD2 3.3Å; G168-D240 VanDerWaalsContact N-OD2 3.12Å; G168-D240 CarbonylContact O-C 3.46Å; W171-D240 PolarHBondContact NE1-O 3.12Å; F200-D240 HydrophobicContact CE2-CB 4.17Å; F200-D240 VanDerWaalsContact CE2-OD1 3.29Å; F200-D240 WeakPolarHBondContact CE2-OD1 3.15Å; F200-D240 WeakPolarHBondContact CZ-OD1 3.45Å; K204-D240 IonicContact NZ-OD1 3.62Å; K204-D240 PolarHBondContact NZ-OD1 3.09Å; D240-S271 WeakPolarHBondContact OD2-CB 3.37Å; D240-S271 PolarHBondContact OD2-OG 2.97Å; D240-N275 PolarHBondContact OD1-ND2 2.93Å
241	G	96.5	Very high	97.3	Very high	6 Å²	6	18.8 Å²	18.8	6%	0.062	11%	0.105	C	C	.	.			trans	-69.6	156.3	-177.5	0	0	0	0	0	114.5	R207 S239 L549	R207-G241 PolarHBondContact NH1-O 3.32Å; R207-G241 VanDerWaalsContact NH1-O 3.15Å; R207-G241 PolarHBondContact NH2-O 3Å; S239-G241 VanDerWaalsContact C-N 3.27Å; S239-G241 PolarHBondContact OG-N 3.2Å; G241-L549 WeakPolarHBondContact CA-O 3.46Å
242	G	97.1	Very high	97.3	Very high	4 Å²	4	18.4 Å²	18.4	4%	0.041	10%	0.1	C	C	.	.			trans	-168	173.6	-178	0	0	0	0	0	112.4	W171 L549	W171-G242 WeakPolarHBondContact CB-O 3.39Å; G242-L549 WeakPolarHBondContact O-CB 3.48Å; G242-L549 WeakPolarHBondContact O-CD1 3.25Å
243	Q	97.3	Very high	97.4	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.009	11%	0.109	C	C	.	.			trans	-115.4	170.3	-173.6	-63.2	-67.3	-4.7	0	0	111.5	D245 M246 L247 L386 V395 Y397 E517 G547 T548	Q243-D245 PolarHBondContact O-N 3.43Å; Q243-M246 HydrophobicContact CB-CG 4.45Å; Q243-M246 HydrophobicContact CB-SD 3.88Å; Q243-M246 HydrophobicContact CG-SD 4.14Å; Q243-M246 PolarHBondContact N-SD 2.97Å; Q243-M246 VanDerWaalsContact N-SD 3.44Å; Q243-M246 WeakPolarHBondContact O-CB 3.35Å; Q243-M246 PolarHBondContact O-N 3.41Å; Q243-L247 PolarHBondContact O-N 2.83Å; Q243-L247 VanDerWaalsContact O-N 3.15Å; Q243-L386 HydrophobicContact CG-CD2 4.14Å; Q243-V395 HydrophobicContact CB-CG1 4.02Å; Q243-V395 HydrophobicContact CB-CG2 4.19Å; Q243-V395 HydrophobicContact CG-CG1 4.21Å; Q243-Y397 WeakPolarHBondContact CG-OH 3.41Å; Q243-Y397 PolarHBondContact NE2-OH 3.06Å; Q243-Y397 VanDerWaalsContact NE2-OH 3.13Å; Q243-E517 PolarHBondContact OE1-OE2 2.92Å; Q243-E517 VanDerWaalsContact OE1-OE2 3.1Å; Q243-G547 PolarHBondContact NE2-O 3.45Å; Q243-T548 PolarHBondContact NE2-O 3.11Å
244	W	97.8	Very high	97.4	Very high	3 Å²	3	20.5 Å²	20.5	1%	0.011	11%	0.109	C	C	.	.	H	α-helix	trans	-56.1	-48.3	-179.3	-180	-103.7	0	0	0	113.4	A175 M246 L247 V248 F359 V361 K364 W420 V519	A175-W244 HydrophobicContact CB-CZ3 3.94Å; W244-M246 PolarHBondContact O-N 3.04Å; W244-L247 HydrophobicContact CE3-CD2 4.16Å; W244-L247 HydrophobicContact CH2-CD2 4.06Å; W244-L247 HydrophobicContact CZ3-CD2 3.88Å; W244-L247 WeakPolarHBondContact O-CA 3.32Å; W244-L247 VanDerWaalsContact O-CB 3.25Å; W244-L247 WeakPolarHBondContact O-CB 3.48Å; W244-L247 PolarHBondContact O-N 3.21Å; W244-V248 VanDerWaalsContact O-CG2 3.29Å; W244-V248 WeakPolarHBondContact O-CG2 3.2Å; W244-V248 PolarHBondContact O-N 3.01Å; W244-V248 VanDerWaalsContact O-N 3.1Å; W244-F359 HydrophobicContact CH2-CE1 4.15Å; W244-F359 HydrophobicContact CH2-CZ 4.3Å; W244-V361 HydrophobicContact CH2-CG1 4.32Å; W244-V361 HydrophobicContact CZ2-CB 4.18Å; W244-V361 HydrophobicContact CZ2-CG1 4.25Å; W244-K364 HydrophobicContact CH2-CB 4.4Å; W244-K364 HydrophobicContact CH2-CG 4.26Å; W244-K364 HydrophobicContact CZ2-CB 3.49Å; W244-K364 VanDerWaalsContact CZ2-CB 3.49Å; W244-K364 HydrophobicContact CZ2-CG 3.66Å; W244-W420 HydrophobicContact CE3-CD2 4.44Å; W244-W420 HydrophobicContact CE3-CG 4.32Å; W244-W420 HydrophobicContact CZ3-CB 4.39Å; W244-W420 HydrophobicContact CZ3-CG 4.39Å; W244-V519 HydrophobicContact CB-CG2 3.73Å; W244-V519 HydrophobicContact CD2-CB 4.12Å; W244-V519 HydrophobicContact CD2-CG1 3.49Å; W244-V519 VanDerWaalsContact CD2-CG1 3.49Å; W244-V519 HydrophobicContact CD2-CG2 3.67Å; W244-V519 VanDerWaalsContact CE2-CG1 3.42Å; W244-V519 HydrophobicContact CE3-CB 4.14Å; W244-V519 HydrophobicContact CE3-CG1 3.77Å; W244-V519 HydrophobicContact CE3-CG2 3.86Å; W244-V519 HydrophobicContact CG-CB 4.44Å; W244-V519 HydrophobicContact CG-CG1 4.03Å; W244-V519 HydrophobicContact CG-CG2 3.57Å; W244-V519 HydrophobicContact CH2-CG1 3.93Å; W244-V519 HydrophobicContact CZ2-CG1 3.69Å; W244-V519 HydrophobicContact CZ3-CG1 3.96Å
245	D	97.9	Very high	97.5	Very high	8 Å²	8	18.6 Å²	18.6	4%	0.043	10%	0.099	C	C	.	.	H	α-helix	trans	-65.2	-31.3	-176.9	-68.8	-46.6	0	0	0	113.2	Q243 L247 V248 N249 R393 V395 L396	Q243-D245 PolarHBondContact O-N 3.43Å; D245-L247 VanDerWaalsContact C-N 3.31Å; D245-V248 PolarHBondContact O-N 3.48Å; D245-N249 PolarHBondContact O-N 2.86Å; D245-N249 PolarHBondContact O-ND2 2.88Å; D245-R393 HydrophobicContact CB-CG 3.95Å; D245-R393 WeakPolarHBondContact OD1-CD 3.27Å; D245-R393 IonicContact OD1-CZ 2.87Å; D245-R393 VanDerWaalsContact OD1-CZ 3.28Å; D245-R393 IonicContact OD1-NE 3.65Å; D245-R393 PolarHBondContact OD1-NE 3.46Å; D245-R393 IonicContact OD1-NH1 2.88Å; D245-R393 PolarHBondContact OD1-NH1 3.45Å; D245-V395 HydrophobicContact CB-CG2 4.32Å; D245-V395 WeakPolarHBondContact OD2-CA 3.23Å; D245-L396 PolarHBondContact OD2-N 3.47Å
246	M	98.4	Very high	97.6	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-66	-36	172.9	-67	164.4	69.7	0	0	111.3	W171 Q243 W244 L250 L386 N388 V395	W171-M246 HydrophobicContact CH2-CB 4.41Å; W171-M246 HydrophobicContact CZ3-CB 4.07Å; Q243-M246 HydrophobicContact CB-CG 4.45Å; Q243-M246 HydrophobicContact CB-SD 3.88Å; Q243-M246 HydrophobicContact CG-SD 4.14Å; Q243-M246 PolarHBondContact N-SD 2.97Å; Q243-M246 VanDerWaalsContact N-SD 3.44Å; Q243-M246 WeakPolarHBondContact O-CB 3.35Å; Q243-M246 PolarHBondContact O-N 3.41Å; W244-M246 PolarHBondContact O-N 3.04Å; M246-L250 WeakPolarHBondContact O-CG 3.15Å; M246-L250 PolarHBondContact O-N 3.27Å; M246-L386 HydrophobicContact SD-CD1 4.37Å; M246-N388 WeakPolarHBondContact CA-OD1 3.27Å; M246-N388 HydrophobicContact CB-CB 4.47Å; M246-N388 WeakPolarHBondContact CB-ND2 2.98Å; M246-N388 HydrophobicContact CE-CB 3.76Å; M246-N388 HydrophobicContact CG-CB 4.43Å; M246-N388 PolarHBondContact O-ND2 2.78Å; M246-V395 HydrophobicContact CG-CG2 3.89Å; M246-V395 HydrophobicContact SD-CG2 4.08Å
247	L	98	Very high	97.7	Very high	2 Å²	2	11.5 Å²	11.5	1%	0.01	6%	0.062	C	C	.	.	H	α-helix	trans	-65.7	-45.7	175.3	176.6	122.7	0	0	0	110.7	W171 L172 A175 L199 Q243 W244 D245 N249 L250 I251 V361	W171-L247 HydrophobicContact CE3-CB 4.07Å; W171-L247 HydrophobicContact CE3-CD1 4.4Å; W171-L247 HydrophobicContact CZ3-CB 3.84Å; L172-L247 HydrophobicContact CD2-CD1 4.01Å; A175-L247 HydrophobicContact CB-CD1 3.18Å; A175-L247 HydrophobicContact CB-CD2 3.74Å; A175-L247 HydrophobicContact CB-CG 4.08Å; L199-L247 HydrophobicContact CD1-CD1 4.41Å; Q243-L247 PolarHBondContact O-N 2.83Å; Q243-L247 VanDerWaalsContact O-N 3.15Å; W244-L247 HydrophobicContact CE3-CD2 4.16Å; W244-L247 HydrophobicContact CH2-CD2 4.06Å; W244-L247 HydrophobicContact CZ3-CD2 3.88Å; W244-L247 WeakPolarHBondContact O-CA 3.32Å; W244-L247 VanDerWaalsContact O-CB 3.25Å; W244-L247 WeakPolarHBondContact O-CB 3.48Å; W244-L247 PolarHBondContact O-N 3.21Å; D245-L247 VanDerWaalsContact C-N 3.31Å; L247-N249 PolarHBondContact O-N 3.12Å; L247-L250 WeakPolarHBondContact O-CB 3.48Å; L247-L250 PolarHBondContact O-N 2.77Å; L247-L250 VanDerWaalsContact O-N 3.09Å; L247-I251 HydrophobicContact CD1-CD1 4.44Å; L247-I251 HydrophobicContact CD2-CD1 3.48Å; L247-I251 VanDerWaalsContact CD2-CD1 3.48Å; L247-I251 HydrophobicContact CG-CD1 3.78Å; L247-I251 HydrophobicContact CG-CG1 4.43Å; L247-I251 WeakPolarHBondContact O-CG1 3.45Å; L247-I251 PolarHBondContact O-N 3.43Å; L247-V361 HydrophobicContact CD2-CG1 4.4Å
248	V	98.6	Very high	97.8	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-73.6	-27.1	-179.5	167	0	0	0	0	113.3	W244 D245 L250 I251 T252 V361 E362 R393	W244-V248 VanDerWaalsContact O-CG2 3.29Å; W244-V248 WeakPolarHBondContact O-CG2 3.2Å; W244-V248 PolarHBondContact O-N 3.01Å; W244-V248 VanDerWaalsContact O-N 3.1Å; D245-V248 PolarHBondContact O-N 3.48Å; V248-L250 VanDerWaalsContact C-N 3.27Å; V248-L250 PolarHBondContact O-N 2.53Å; V248-I251 PolarHBondContact O-N 2.93Å; V248-T252 HydrophobicContact CG1-CG2 3.63Å; V248-T252 WeakPolarHBondContact O-CB 3.31Å; V248-T252 WeakPolarHBondContact O-CG2 3.39Å; V248-T252 PolarHBondContact O-N 3.09Å; V248-T252 PolarHBondContact O-OG1 3.21Å; V248-V361 HydrophobicContact CB-CB 3.87Å; V248-V361 HydrophobicContact CB-CG2 3.71Å; V248-V361 HydrophobicContact CG1-CB 3.95Å; V248-V361 HydrophobicContact CG1-CG2 3.37Å; V248-E362 HydrophobicContact CG1-CG 4.15Å; V248-R393 VanDerWaalsContact CG2-NH1 3.28Å
249	N	98.7	Very high	98	Very high	11 Å²	11	13.7 Å²	13.7	6%	0.059	7%	0.07	C	C	.	.	H	α-helix	trans	-55.7	-42.6	164.3	-76	-27.2	0	0	0	112	D245 L247 T252 K253 V389 R393	D245-N249 PolarHBondContact O-N 2.86Å; D245-N249 PolarHBondContact O-ND2 2.88Å; L247-N249 PolarHBondContact O-N 3.12Å; N249-T252 PolarHBondContact O-OG1 3.08Å; N249-K253 WeakPolarHBondContact O-CB 3.26Å; N249-K253 PolarHBondContact O-N 3.24Å; N249-V389 HydrophobicContact CB-CB 4.06Å; N249-V389 HydrophobicContact CB-CG2 3.74Å; N249-R393 PolarHBondContact ND2-O 2.99Å; N249-R393 WeakPolarHBondContact OD1-CB 3.48Å; N249-R393 PolarHBondContact OD1-N 3.4Å
250	L	98.8	Very high	98.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-69.8	-46.9	178.4	-62.5	168.1	0	0	0	112	W171 L172 L199 W202 D203 E206 M246 L247 V248 K253 H254 N388 V389	W171-L250 HydrophobicContact CH2-CD1 3.86Å; W171-L250 HydrophobicContact CZ3-CD1 4.4Å; L172-L250 HydrophobicContact CD2-CD1 4.47Å; L199-L250 HydrophobicContact CD2-CB 4.17Å; W202-L250 HydrophobicContact CB-CD2 4.13Å; D203-L250 HydrophobicContact CB-CD1 3.65Å; D203-L250 HydrophobicContact CB-CD2 4.29Å; E206-L250 HydrophobicContact CG-CD2 4.33Å; M246-L250 WeakPolarHBondContact O-CG 3.15Å; M246-L250 PolarHBondContact O-N 3.27Å; L247-L250 WeakPolarHBondContact O-CB 3.48Å; L247-L250 PolarHBondContact O-N 2.77Å; L247-L250 VanDerWaalsContact O-N 3.09Å; V248-L250 VanDerWaalsContact C-N 3.27Å; V248-L250 PolarHBondContact O-N 2.53Å; L250-K253 PolarHBondContact O-N 2.88Å; L250-H254 WeakPolarHBondContact O-CA 3.21Å; L250-H254 WeakPolarHBondContact O-CB 3.48Å; L250-H254 PolarHBondContact O-N 3.3Å; L250-N388 WeakPolarHBondContact CG-ND2 3.32Å; L250-V389 HydrophobicContact CD2-CG2 4.29Å
251	I	98.7	Very high	98.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-68.5	-39.9	-175.9	-68.5	175.1	0	0	0	111.5	I179 L199 L247 V248 K253 G255 L256 Y351 V361	I179-I251 HydrophobicContact CD1-CD1 3.89Å; L199-I251 HydrophobicContact CD1-CD1 4.31Å; L199-I251 HydrophobicContact CD1-CG1 4.11Å; L199-I251 HydrophobicContact CD2-CG1 4.14Å; L247-I251 HydrophobicContact CD1-CD1 4.44Å; L247-I251 HydrophobicContact CD2-CD1 3.48Å; L247-I251 VanDerWaalsContact CD2-CD1 3.48Å; L247-I251 HydrophobicContact CG-CD1 3.78Å; L247-I251 HydrophobicContact CG-CG1 4.43Å; L247-I251 WeakPolarHBondContact O-CG1 3.45Å; L247-I251 PolarHBondContact O-N 3.43Å; V248-I251 PolarHBondContact O-N 2.93Å; I251-K253 VanDerWaalsContact C-N 3.34Å; I251-G255 WeakPolarHBondContact O-CA 3.19Å; I251-G255 PolarHBondContact O-N 2.74Å; I251-L256 HydrophobicContact CD1-CD2 4.09Å; I251-L256 HydrophobicContact CG1-CD2 3.88Å; I251-L256 HydrophobicContact CG1-CG 4.31Å; I251-L256 HydrophobicContact CG2-CD1 4.45Å; I251-L256 HydrophobicContact CG2-CG 4.24Å; I251-Y351 HydrophobicContact CG2-CD1 4.05Å; I251-Y351 HydrophobicContact CG2-CD2 3.59Å; I251-Y351 HydrophobicContact CG2-CE1 3.95Å; I251-Y351 HydrophobicContact CG2-CE2 3.51Å; I251-Y351 HydrophobicContact CG2-CG 3.89Å; I251-V361 HydrophobicContact CB-CG2 4.31Å; I251-V361 HydrophobicContact CD1-CG1 3.99Å; I251-V361 HydrophobicContact CG2-CG2 3.93Å
252	T	98.3	Very high	98.3	Very high	47 Å²	47	22.6 Å²	22.6	29%	0.288	11%	0.108	S	C	.	.	H	α-helix	trans	-72	-28.7	178.8	52.9	0	0	0	0	112.7	V248 N249 L348 V361 E362	V248-T252 HydrophobicContact CG1-CG2 3.63Å; V248-T252 WeakPolarHBondContact O-CB 3.31Å; V248-T252 WeakPolarHBondContact O-CG2 3.39Å; V248-T252 PolarHBondContact O-N 3.09Å; V248-T252 PolarHBondContact O-OG1 3.21Å; N249-T252 PolarHBondContact O-OG1 3.08Å; T252-L348 WeakPolarHBondContact O-CD1 3.43Å; T252-V361 HydrophobicContact CG2-CG2 4.45Å; T252-E362 HydrophobicContact CG2-CG 3.99Å
253	K	98.6	Very high	98.3	Very high	103 Å²	103	26.3 Å²	26.3	45%	0.448	13%	0.132	S	C	.	.	H	α-helix	trans	-86.4	-43.9	178.7	-172.4	173.6	-178.4	-177.4	0	113.3	E206 N249 L250 I251 V389	E206-K253 VanDerWaalsContact CD-NZ 3.32Å; E206-K253 WeakPolarHBondContact OE1-CD 3.18Å; E206-K253 WeakPolarHBondContact OE1-CE 3.2Å; E206-K253 IonicContact OE1-NZ 2.84Å; E206-K253 PolarHBondContact OE1-NZ 3.12Å; E206-K253 IonicContact OE2-NZ 3.64Å; E206-K253 PolarHBondContact OE2-NZ 2.84Å; N249-K253 WeakPolarHBondContact O-CB 3.26Å; N249-K253 PolarHBondContact O-N 3.24Å; L250-K253 PolarHBondContact O-N 2.88Å; I251-K253 VanDerWaalsContact C-N 3.34Å; K253-V389 HydrophobicContact CD-CG1 4.02Å
254	H	98.5	Very high	98.4	Very high	21 Å²	21	28 Å²	28	10%	0.097	14%	0.139	C	C	.	.	H	α-helix	trans	-112.9	-14.7	-169.6	-60.9	-66.5	0	0	0	113.4	F198 W202 E206 L250 S347	F198-H254 HydrophobicContact CE1-CB 4.34Å; F198-H254 HydrophobicContact CZ-CB 4.19Å; F198-H254 WeakPolarHBondContact CZ-O 3.37Å; W202-H254 HydrophobicContact CB-CB 4.5Å; W202-H254 AromaticContact CD1-CG 3.8Å; W202-H254 HydrophobicContact CD2-CB 4.3Å; W202-H254 AromaticContact CD2-CD2 3.93Å; W202-H254 AromaticContact CD2-CE1 3.54Å; W202-H254 AromaticContact CD2-CG 3.64Å; W202-H254 AromaticContact CD2-ND1 3.41Å; W202-H254 AromaticContact CD2-NE2 3.86Å; W202-H254 AromaticContact CE2-CG 3.96Å; W202-H254 AromaticContact CE2-ND1 3.57Å; W202-H254 AromaticContact CE3-CE1 3.28Å; W202-H254 AromaticContact CE3-ND1 3.64Å; W202-H254 AromaticContact CE3-NE2 3.69Å; W202-H254 HydrophobicContact CG-CB 3.92Å; W202-H254 AromaticContact CG-CD2 3.68Å; W202-H254 AromaticContact CG-CG 3.55Å; W202-H254 AromaticContact CG-ND1 3.88Å; W202-H254 AromaticContact CZ2-ND1 3.94Å; W202-H254 AromaticContact CZ3-CE1 3.64Å; W202-H254 AromaticContact CZ3-ND1 3.99Å; E206-H254 IonicContact OE1-CE1 3.3Å; E206-H254 PolarHBondContact OE1-CE1 3.31Å; E206-H254 IonicContact OE1-NE2 3.72Å; E206-H254 PolarHBondContact OE1-NE2 3.01Å; L250-H254 WeakPolarHBondContact O-CA 3.21Å; L250-H254 WeakPolarHBondContact O-CB 3.48Å; L250-H254 PolarHBondContact O-N 3.3Å; H254-S347 VanDerWaalsContact O-CB 3.24Å; H254-S347 WeakPolarHBondContact O-CB 3.29Å; H254-S347 PolarHBondContact O-OG 2.86Å
255	G	98.6	Very high	98.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.148	C	C	.	.			trans	77.6	-150.2	-179.6	0	0	0	0	0	114.3	F198 I251 S347	F198-G255 WeakPolarHBondContact CE1-O 3.24Å; I251-G255 WeakPolarHBondContact O-CA 3.19Å; I251-G255 PolarHBondContact O-N 2.74Å; G255-S347 WeakPolarHBondContact CA-O 3.11Å
256	L	98.8	Very high	98.5	Very high	1 Å²	1	36 Å²	36	1%	0.005	18%	0.178	C	C	.	.			trans	-140.8	160.6	-179.3	-70.2	176.9	0	0	0	110	L176 I179 F194 L199 I251 S347 F350 Y351 V355	L176-L256 HydrophobicContact CD2-CD1 4.44Å; L176-L256 HydrophobicContact CD2-CD2 3.59Å; I179-L256 HydrophobicContact CD1-CD1 4.49Å; I179-L256 HydrophobicContact CG2-CD1 4.21Å; F194-L256 HydrophobicContact CD1-CB 4.06Å; F194-L256 HydrophobicContact CD1-CD1 4.23Å; F194-L256 HydrophobicContact CE1-CB 4.28Å; F194-L256 HydrophobicContact CE1-CD1 4.11Å; F194-L256 HydrophobicContact CZ-CD1 4.4Å; L199-L256 HydrophobicContact CD1-CD2 3.93Å; L199-L256 HydrophobicContact CD2-CD2 4.09Å; L199-L256 HydrophobicContact CG-CD2 4.16Å; I251-L256 HydrophobicContact CD1-CD2 4.09Å; I251-L256 HydrophobicContact CG1-CD2 3.88Å; I251-L256 HydrophobicContact CG1-CG 4.31Å; I251-L256 HydrophobicContact CG2-CD1 4.45Å; I251-L256 HydrophobicContact CG2-CG 4.24Å; L256-S347 PolarHBondContact N-O 2.79Å; L256-S347 CarbonylContact O-C 3.51Å; L256-S347 VanDerWaalsContact O-CA 3.31Å; L256-S347 WeakPolarHBondContact O-CA 3.19Å; L256-S347 WeakPolarHBondContact O-CB 3.36Å; L256-F350 HydrophobicContact CB-CD1 4.44Å; L256-F350 VanDerWaalsContact O-CD1 3.24Å; L256-F350 WeakPolarHBondContact O-CD1 3.43Å; L256-Y351 HydrophobicContact CD1-CD2 4.07Å; L256-Y351 HydrophobicContact CG-CD2 4.43Å; L256-V355 HydrophobicContact CD1-CG1 4Å; L256-V355 HydrophobicContact CD1-CG2 4.35Å
257	M	98.2	Very high	98.5	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	18%	0.183	C	C	.	.			trans	-148.9	156.3	170.1	72.7	-170	-36.3	0	0	111.5	F194 S195 F198 C261 F262 F328	F194-M257 CarbonylContact C-O 3.49Å; F194-M257 WeakPolarHBondContact CA-O 3.41Å; S195-M257 PolarHBondContact N-O 2.93Å; F198-M257 HydrophobicContact CB-CG 3.97Å; F198-M257 HydrophobicContact CB-SD 3.93Å; F198-M257 HydrophobicContact CD1-CG 4.35Å; F198-M257 HydrophobicContact CD2-CG 4.03Å; F198-M257 HydrophobicContact CD2-SD 3.24Å; F198-M257 WeakPolarHBondContact CD2-SD 3.28Å; F198-M257 HydrophobicContact CE2-SD 3.82Å; F198-M257 HydrophobicContact CG-CG 3.85Å; F198-M257 HydrophobicContact CG-SD 3.68Å; M257-C261 HydrophobicContact CE-CB 3.83Å; M257-F262 HydrophobicContact CE-CB 4.29Å; M257-F262 HydrophobicContact CG-CB 4.31Å; M257-F262 HydrophobicContact SD-CB 3.44Å; M257-F262 WeakPolarHBondContact SD-CB 3.06Å; M257-F262 HydrophobicContact SD-CG 4.28Å; M257-F328 HydrophobicContact CB-CD1 4.34Å; M257-F328 HydrophobicContact CB-CE1 3.67Å; M257-F328 HydrophobicContact CB-CE2 4.47Å; M257-F328 HydrophobicContact CB-CZ 3.74Å; M257-F328 HydrophobicContact CE-CB 4.4Å; M257-F328 HydrophobicContact CE-CD1 3.49Å; M257-F328 VanDerWaalsContact CE-CD1 3.49Å; M257-F328 HydrophobicContact CE-CE1 3.88Å; M257-F328 HydrophobicContact CE-CG 3.99Å
258	P	98.7	Very high	98.5	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-61.7	144.2	174	-24.7	36.6	0	0	0	112.6	F192 K260 C261 F328 W330 F350	F192-P258 HydrophobicContact CE2-CB 3.91Å; F192-P258 HydrophobicContact CE2-CG 4.12Å; F192-P258 HydrophobicContact CZ-CB 4.17Å; F192-P258 HydrophobicContact CZ-CG 4.23Å; P258-K260 PolarHBondContact O-N 3.08Å; P258-K260 VanDerWaalsContact O-N 3.12Å; P258-C261 WeakPolarHBondContact O-CB 3.46Å; P258-C261 PolarHBondContact O-N 2.86Å; P258-F328 VanDerWaalsContact CD-CE2 3.49Å; P258-F328 HydrophobicContact CG-CE2 4.24Å; P258-W330 HydrophobicContact CB-CD2 4.13Å; P258-W330 HydrophobicContact CB-CG 4.02Å; P258-W330 HydrophobicContact CG-CB 3.98Å; P258-W330 HydrophobicContact CG-CD2 3.58Å; P258-W330 HydrophobicContact CG-CE3 3.92Å; P258-W330 HydrophobicContact CG-CG 3.59Å; P258-F350 HydrophobicContact CG-CE1 4.17Å; P258-F350 HydrophobicContact CG-CE2 4.33Å; P258-F350 HydrophobicContact CG-CZ 3.76Å
259	K	98.6	Very high	98.4	Very high	52 Å²	52	40.3 Å²	40.3	23%	0.226	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-31.1	178.3	-173.9	174.4	-177.5	176.9	0	113.3	E193 C261 F262 P263	E193-K259 HydrophobicContact CB-CB 3.85Å; E193-K259 HydrophobicContact CB-CD 3.65Å; E193-K259 HydrophobicContact CB-CG 4.42Å; E193-K259 HydrophobicContact CG-CD 4.21Å; E193-K259 VanDerWaalsContact O-CB 3.32Å; E193-K259 WeakPolarHBondContact O-CB 3.12Å; E193-K259 PolarHBondContact O-N 3.32Å; E193-K259 IonicContact OE1-NZ 2.68Å; E193-K259 PolarHBondContact OE1-NZ 2.86Å; E193-K259 WeakPolarHBondContact OE2-CD 2.98Å; E193-K259 IonicContact OE2-NZ 2.93Å; E193-K259 PolarHBondContact OE2-NZ 2.74Å; K259-C261 VanDerWaalsContact C-N 3.26Å; K259-C261 PolarHBondContact O-N 3.49Å; K259-F262 CarbonylContact O-C 3.58Å; K259-F262 PolarHBondContact O-N 2.83Å; K259-F262 VanDerWaalsContact O-O 3.08Å; K259-P263 WeakPolarHBondContact O-CA 3.5Å
260	K	97.8	Very high	98.4	Very high	173 Å²	173	41.6 Å²	41.6	75%	0.752	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-23.1	176.6	-65.9	-174.4	179.8	178.4	0	113.5	P258	P258-K260 PolarHBondContact O-N 3.08Å; P258-K260 VanDerWaalsContact O-N 3.12Å
261	C	98.4	Very high	98.4	Very high	30 Å²	30	41.9 Å²	41.9	20%	0.203	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-19.1	-179.6	-59.6	0	0	0	0	112.6	M257 P258 K259 F328	M257-C261 HydrophobicContact CE-CB 3.83Å; P258-C261 WeakPolarHBondContact O-CB 3.46Å; P258-C261 PolarHBondContact O-N 2.86Å; K259-C261 VanDerWaalsContact C-N 3.26Å; K259-C261 PolarHBondContact O-N 3.49Å; C261-F328 HydrophobicContact CB-CB 4.27Å; C261-F328 HydrophobicContact CB-CD2 4.06Å; C261-F328 HydrophobicContact CB-CG 4.17Å; C261-F328 VanDerWaalsContact SG-CD2 3.59Å
262	F	98.5	Very high	98.3	Very high	15 Å²	15	47.6 Å²	47.6	7%	0.066	24%	0.241	C	C	.	.	S	Bend	trans	-147.2	93.2	169.5	-169.2	-104	0	0	0	109.1	S195 A197 F198 M257 K259 L321 P324	S195-F262 WeakPolarHBondContact CB-O 3.13Å; S195-F262 PolarHBondContact OG-O 3.4Å; A197-F262 HydrophobicContact CB-CD1 3.76Å; A197-F262 HydrophobicContact CB-CE1 3.8Å; F198-F262 HydrophobicContact CB-CD1 3.98Å; M257-F262 HydrophobicContact CE-CB 4.29Å; M257-F262 HydrophobicContact CG-CB 4.31Å; M257-F262 HydrophobicContact SD-CB 3.44Å; M257-F262 WeakPolarHBondContact SD-CB 3.06Å; M257-F262 HydrophobicContact SD-CG 4.28Å; K259-F262 CarbonylContact O-C 3.58Å; K259-F262 PolarHBondContact O-N 2.83Å; K259-F262 VanDerWaalsContact O-O 3.08Å; F262-L321 VanDerWaalsContact CZ-O 3.29Å; F262-L321 WeakPolarHBondContact CZ-O 3.3Å; F262-P324 HydrophobicContact CD2-CB 4.27Å; F262-P324 HydrophobicContact CD2-CG 4.2Å; F262-P324 HydrophobicContact CE1-CG 4.3Å; F262-P324 HydrophobicContact CE2-CB 4.29Å; F262-P324 HydrophobicContact CE2-CG 3.84Å; F262-P324 HydrophobicContact CZ-CG 3.89Å
263	P	98.3	Very high	98.3	Very high	82 Å²	82	53.9 Å²	53.9	53%	0.532	26%	0.26	S	S	.	.			trans	-75.2	169.6	-173	31.9	-36.1	0	0	0	112.4	K259	K259-P263 WeakPolarHBondContact O-CA 3.5Å
264	E	98.5	Very high	98.3	Very high	37 Å²	37	49.1 Å²	49.1	17%	0.173	24%	0.239	C	C	.	.			trans	-64.4	145.8	170.6	-67	-73.7	132.8	0	0	111.2	R169 A197 C268 E269	R169-E264 IonicContact CZ-OE1 2.97Å; R169-E264 IonicContact CZ-OE2 3.45Å; R169-E264 VanDerWaalsContact CZ-OE2 3.26Å; R169-E264 VanDerWaalsContact NH1-CD 3.34Å; R169-E264 IonicContact NH1-OE1 2.65Å; R169-E264 PolarHBondContact NH1-OE1 3.09Å; R169-E264 IonicContact NH1-OE2 2.9Å; R169-E264 PolarHBondContact NH1-OE2 3.5Å; R169-E264 IonicContact NH2-OE1 2.74Å; R169-E264 IonicContact NH2-OE2 2.84Å; R169-E264 PolarHBondContact NH2-OE2 3.16Å; A197-E264 PolarHBondContact N-OE1 3.24Å; E264-C268 HydrophobicContact CB-CB 4.44Å; E264-C268 WeakPolarHBondContact OE2-CB 3.31Å; E264-E269 HydrophobicContact CB-CG 4.3Å
265	S	98.4	Very high	98.3	Very high	28 Å²	28	48.6 Å²	48.6	20%	0.196	24%	0.237	C	C	.	.			trans	-110.7	171.2	169.8	74.2	0	0	0	0	110.4	S267 C268 E269 C320	S265-S267 PolarHBondContact O-N 3.44Å; S265-S267 PolarHBondContact OG-N 3.29Å; S265-C268 PolarHBondContact N-SG 2.72Å; S265-C268 VanDerWaalsContact N-SG 3.39Å; S265-C268 WeakPolarHBondContact O-CB 2.91Å; S265-C268 PolarHBondContact O-N 3.24Å; S265-C268 VanDerWaalsContact O-N 3.09Å; S265-C268 PolarHBondContact OG-N 2.8Å; S265-C268 PolarHBondContact OG-SG 3.46Å; S265-E269 PolarHBondContact O-N 2.81Å; S265-C320 PolarHBondContact OG-O 3.39Å; S265-C320 VanDerWaalsContact OG-O 3.08Å
266	F	98.4	Very high	98.3	Very high	153 Å²	153	51 Å²	51	67%	0.671	26%	0.257	S	S	*	.	H	α-helix	trans	-52.7	-43.1	171.8	178.8	-88.9	0	0	0	112.1	C268 E269 S270	F266-C268 VanDerWaalsContact C-N 3.31Å; F266-C268 PolarHBondContact O-N 3Å; F266-E269 PolarHBondContact O-N 3.38Å; F266-S270 PolarHBondContact O-N 2.76Å
267	S	98.4	Very high	98.2	Very high	14 Å²	14	55.1 Å²	55.1	10%	0.098	28%	0.278	C	S	.	.	H	α-helix	trans	-76.4	-18.5	-177.4	-56.6	0	0	0	0	113.1	S265 S270 S271 C320	S265-S267 PolarHBondContact O-N 3.44Å; S265-S267 PolarHBondContact OG-N 3.29Å; S267-S270 CarbonylContact O-C 3.47Å; S267-S271 WeakPolarHBondContact O-CA 3.43Å; S267-S271 PolarHBondContact O-N 2.95Å; S267-C320 PolarHBondContact OG-O 3.13Å
268	C	97.9	Very high	98.3	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-69.5	-43.7	168.7	-58	0	0	0	0	110.4	S167 R169 A197 E264 S265 F266 L321	S167-C268 VanDerWaalsContact CB-O 3.26Å; S167-C268 WeakPolarHBondContact CB-O 3.41Å; S167-C268 PolarHBondContact OG-O 3.41Å; R169-C268 PolarHBondContact NE-O 2.63Å; R169-C268 PolarHBondContact NH2-O 3.22Å; A197-C268 VanDerWaalsContact CB-SG 3.58Å; E264-C268 HydrophobicContact CB-CB 4.44Å; E264-C268 WeakPolarHBondContact OE2-CB 3.31Å; S265-C268 PolarHBondContact N-SG 2.72Å; S265-C268 VanDerWaalsContact N-SG 3.39Å; S265-C268 WeakPolarHBondContact O-CB 2.91Å; S265-C268 PolarHBondContact O-N 3.24Å; S265-C268 VanDerWaalsContact O-N 3.09Å; S265-C268 PolarHBondContact OG-N 2.8Å; S265-C268 PolarHBondContact OG-SG 3.46Å; F266-C268 VanDerWaalsContact C-N 3.31Å; F266-C268 PolarHBondContact O-N 3Å; C268-L321 VanDerWaalsContact SG-CD2 3.59Å
269	E	98	Very high	98.3	Very high	77 Å²	77	57 Å²	57	36%	0.36	29%	0.286	S	S	.	.	H	α-helix	trans	-85.5	-13.7	-177.7	-64.2	-169.3	160.5	0	0	113.8	R165 S166 E264 S265 F266	R165-E269 HydrophobicContact CB-CB 3.79Å; R165-E269 HydrophobicContact CB-CG 4.22Å; R165-E269 VanDerWaalsContact CB-O 3.31Å; R165-E269 WeakPolarHBondContact CB-O 3.31Å; R165-E269 HydrophobicContact CG-CB 3.92Å; R165-E269 HydrophobicContact CG-CG 3.88Å; S166-E269 CarbonylContact C-O 3.57Å; S166-E269 WeakPolarHBondContact CA-O 3.3Å; S166-E269 WeakPolarHBondContact CB-O 3.42Å; S166-E269 PolarHBondContact N-O 3.02Å; E264-E269 HydrophobicContact CB-CG 4.3Å; S265-E269 PolarHBondContact O-N 2.81Å; F266-E269 PolarHBondContact O-N 3.38Å
270	S	98.2	Very high	98.3	Very high	38 Å²	38	58.1 Å²	58.1	27%	0.266	30%	0.3	S	S	.	.	B	Isolated β-bridge	trans	-146.3	76.1	177.1	-164.2	0	0	0	0	111.2	S166 F266 S267 L272	S166-S270 WeakPolarHBondContact O-CA 3.47Å; F266-S270 PolarHBondContact O-N 2.76Å; S267-S270 CarbonylContact O-C 3.47Å; S270-L272 VanDerWaalsContact C-N 3.31Å; S270-L272 PolarHBondContact O-N 3.1Å
271	S	98.1	Very high	98.3	Very high	7 Å²	7	52.2 Å²	52.2	5%	0.049	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-15.5	-168.3	62.7	0	0	0	0	115.1	S166 D240 S267 R273 M274 N275	S166-S271 PolarHBondContact O-N 3.43Å; D240-S271 WeakPolarHBondContact OD2-CB 3.37Å; D240-S271 PolarHBondContact OD2-OG 2.97Å; S267-S271 WeakPolarHBondContact O-CA 3.43Å; S267-S271 PolarHBondContact O-N 2.95Å; S271-R273 VanDerWaalsContact C-N 3.26Å; S271-R273 PolarHBondContact O-N 3.15Å; S271-R273 VanDerWaalsContact O-N 3.09Å; S271-M274 PolarHBondContact O-N 3.1Å; S271-N275 WeakPolarHBondContact O-CB 3.42Å; S271-N275 PolarHBondContact O-N 3.4Å
272	L	97.3	Very high	98.3	Very high	120 Å²	120	50.8 Å²	50.8	63%	0.628	27%	0.265	S	S	*	.	H	α-helix	trans	-50.1	-42.2	-172.8	-177.7	67.5	0	0	0	113.4	S270 A276	S270-L272 VanDerWaalsContact C-N 3.31Å; S270-L272 PolarHBondContact O-N 3.1Å; L272-A276 WeakPolarHBondContact O-CB 3.44Å; L272-A276 PolarHBondContact O-N 3.09Å
273	R	98.1	Very high	98.3	Very high	179 Å²	179	55.3 Å²	55.3	68%	0.675	28%	0.282	S	S	*	.	H	α-helix	trans	-76.1	-43.7	-176.2	-62.5	-58.9	-176.3	-176.2	-1.4	112.8	S271 N275 A276 I277	S271-R273 VanDerWaalsContact C-N 3.26Å; S271-R273 PolarHBondContact O-N 3.15Å; S271-R273 VanDerWaalsContact O-N 3.09Å; R273-N275 VanDerWaalsContact C-N 3.31Å; R273-N275 PolarHBondContact O-N 3.39Å; R273-A276 PolarHBondContact O-N 3.5Å; R273-I277 WeakPolarHBondContact O-CG1 3.29Å; R273-I277 PolarHBondContact O-N 2.9Å
274	M	98.4	Very high	98.4	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-59.7	-46.8	172.8	179.4	-174.9	69.2	0	0	110.1	F200 K204 S271 A276 I277 L278 C320 L321	F200-M274 HydrophobicContact CE1-CE 3.56Å; F200-M274 HydrophobicContact CZ-CE 3.62Å; K204-M274 HydrophobicContact CD-CE 4.49Å; K204-M274 HydrophobicContact CG-CE 4.31Å; S271-M274 PolarHBondContact O-N 3.1Å; M274-A276 VanDerWaalsContact C-N 3.32Å; M274-A276 PolarHBondContact O-N 2.64Å; M274-I277 PolarHBondContact O-N 2.87Å; M274-L278 HydrophobicContact CG-CD1 3.96Å; M274-L278 HydrophobicContact CG-CG 4.45Å; M274-L278 WeakPolarHBondContact O-CG 3.35Å; M274-L278 PolarHBondContact O-N 2.82Å; M274-C320 HydrophobicContact CB-CB 4.28Å; M274-C320 HydrophobicContact CG-CB 3.86Å; M274-C320 HydrophobicContact SD-CB 3.57Å; M274-C320 VanDerWaalsContact SD-CB 3.57Å; M274-L321 HydrophobicContact CE-CD1 4.33Å; M274-L321 HydrophobicContact CE-CD2 4.21Å; M274-L321 HydrophobicContact SD-CD1 4.08Å; M274-L321 HydrophobicContact SD-CD2 3.79Å; M274-L321 HydrophobicContact SD-CG 3.83Å
275	N	98.4	Very high	98.4	Very high	10 Å²	10	54 Å²	54	5%	0.053	27%	0.268	C	S	.	.	H	α-helix	trans	-61.3	-38.4	177.6	-76.6	-18.3	0	0	0	112	K204 D240 S271 R273 I277 L278 K279	K204-N275 PolarHBondContact NZ-OD1 3.38Å; D240-N275 PolarHBondContact OD1-ND2 2.93Å; S271-N275 WeakPolarHBondContact O-CB 3.42Å; S271-N275 PolarHBondContact O-N 3.4Å; R273-N275 VanDerWaalsContact C-N 3.31Å; R273-N275 PolarHBondContact O-N 3.39Å; N275-I277 PolarHBondContact O-N 3.24Å; N275-L278 PolarHBondContact O-N 2.9Å; N275-K279 VanDerWaalsContact O-CB 3.22Å; N275-K279 WeakPolarHBondContact O-CB 3.34Å; N275-K279 WeakPolarHBondContact O-CG 3.43Å; N275-K279 PolarHBondContact O-N 2.87Å
276	A	98.2	Very high	98.4	Very high	51 Å²	51	52.8 Å²	52.8	42%	0.421	26%	0.26	S	S	.	.	H	α-helix	trans	-61.2	-42	175.2	0	0	0	0	0	112.8	L272 R273 M274 S280	L272-A276 WeakPolarHBondContact O-CB 3.44Å; L272-A276 PolarHBondContact O-N 3.09Å; R273-A276 PolarHBondContact O-N 3.5Å; M274-A276 VanDerWaalsContact C-N 3.32Å; M274-A276 PolarHBondContact O-N 2.64Å; A276-S280 WeakPolarHBondContact O-CB 3.49Å; A276-S280 PolarHBondContact O-N 2.96Å
277	I	98.6	Very high	98.4	Very high	87 Å²	87	53.3 Å²	53.3	45%	0.446	26%	0.258	S	S	.	.	H	α-helix	trans	-63.4	-50.3	176.6	-63.5	166.5	0	0	0	110.1	R273 M274 N275 S280 K281 V316	R273-I277 WeakPolarHBondContact O-CG1 3.29Å; R273-I277 PolarHBondContact O-N 2.9Å; M274-I277 PolarHBondContact O-N 2.87Å; N275-I277 PolarHBondContact O-N 3.24Å; I277-S280 WeakPolarHBondContact O-CB 3.24Å; I277-S280 PolarHBondContact O-N 2.75Å; I277-K281 PolarHBondContact O-N 3.3Å; I277-K281 VanDerWaalsContact O-N 3.16Å; I277-V316 HydrophobicContact CB-CG1 4.41Å; I277-V316 HydrophobicContact CG2-CG1 3.81Å; I277-V316 HydrophobicContact CG2-CG2 4.19Å
278	L	98.7	Very high	98.4	Very high	2 Å²	2	55 Å²	55	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-61.7	-47.9	179.6	-66.5	173	0	0	0	111.5	K204 T238 M274 N275 S280 K281 L282 I313 V316 V317	K204-L278 HydrophobicContact CD-CD1 3.62Å; K204-L278 HydrophobicContact CG-CD1 3.51Å; T238-L278 HydrophobicContact CG2-CB 3.87Å; T238-L278 HydrophobicContact CG2-CD1 4.48Å; M274-L278 HydrophobicContact CG-CD1 3.96Å; M274-L278 HydrophobicContact CG-CG 4.45Å; M274-L278 WeakPolarHBondContact O-CG 3.35Å; M274-L278 PolarHBondContact O-N 2.82Å; N275-L278 PolarHBondContact O-N 2.9Å; L278-S280 VanDerWaalsContact C-N 3.29Å; L278-S280 PolarHBondContact O-N 2.79Å; L278-K281 PolarHBondContact O-N 2.85Å; L278-K281 VanDerWaalsContact O-N 3.16Å; L278-L282 HydrophobicContact CB-CD1 4.46Å; L278-L282 WeakPolarHBondContact O-CB 3.14Å; L278-L282 WeakPolarHBondContact O-CG 3.34Å; L278-L282 PolarHBondContact O-N 2.97Å; L278-I313 HydrophobicContact CD2-CG2 4.14Å; L278-V316 HydrophobicContact CD2-CB 4.03Å; L278-V316 HydrophobicContact CD2-CG1 3.74Å; L278-V316 HydrophobicContact CG-CG1 4.14Å; L278-V317 HydrophobicContact CD1-CG2 4.05Å; L278-V317 HydrophobicContact CD2-CG2 4.13Å
279	K	98.6	Very high	98.5	Very high	41 Å²	41	55 Å²	55	18%	0.178	27%	0.266	C	S	.	.	H	α-helix	trans	-57.5	-40.2	177.1	-71.6	174.9	-172.8	-159.9	0	112	D236 P237 T238 N275 R283	D236-K279 WeakPolarHBondContact OD1-CE 3.35Å; D236-K279 IonicContact OD1-NZ 3.51Å; D236-K279 PolarHBondContact OD1-NZ 2.94Å; D236-K279 IonicContact OD2-NZ 3.44Å; D236-K279 PolarHBondContact OD2-NZ 2.68Å; P237-K279 HydrophobicContact CG-CB 4.37Å; P237-K279 HydrophobicContact CG-CG 4.04Å; T238-K279 HydrophobicContact CG2-CG 3.97Å; N275-K279 VanDerWaalsContact O-CB 3.22Å; N275-K279 WeakPolarHBondContact O-CB 3.34Å; N275-K279 WeakPolarHBondContact O-CG 3.43Å; N275-K279 PolarHBondContact O-N 2.87Å; K279-R283 WeakPolarHBondContact O-CD 3.46Å; K279-R283 VanDerWaalsContact O-CG 3.26Å; K279-R283 WeakPolarHBondContact O-CG 3.25Å; K279-R283 PolarHBondContact O-N 3.27Å; K279-R283 VanDerWaalsContact O-N 3.15Å
280	S	98.6	Very high	98.5	Very high	74 Å²	74	53.4 Å²	53.4	52%	0.517	26%	0.256	S	S	.	.	H	α-helix	trans	-60.3	-49.7	175.9	-170.6	0	0	0	0	111.5	A276 I277 L278 E284	A276-S280 WeakPolarHBondContact O-CB 3.49Å; A276-S280 PolarHBondContact O-N 2.96Å; I277-S280 WeakPolarHBondContact O-CB 3.24Å; I277-S280 PolarHBondContact O-N 2.75Å; L278-S280 VanDerWaalsContact C-N 3.29Å; L278-S280 PolarHBondContact O-N 2.79Å; S280-E284 PolarHBondContact O-N 2.7Å
281	K	98.7	Very high	98.5	Very high	49 Å²	49	53.9 Å²	53.9	21%	0.213	26%	0.258	C	S	.	.	H	α-helix	trans	-69.4	-41.5	-179.8	-69.2	-57.2	-56.2	178.1	0	112.5	I277 L278 R283 E284 Y285 E312	I277-K281 PolarHBondContact O-N 3.3Å; I277-K281 VanDerWaalsContact O-N 3.16Å; L278-K281 PolarHBondContact O-N 2.85Å; L278-K281 VanDerWaalsContact O-N 3.16Å; K281-R283 VanDerWaalsContact C-N 3.3Å; K281-R283 PolarHBondContact O-N 3.16Å; K281-E284 IonicContact NZ-OE1 2.74Å; K281-E284 PolarHBondContact NZ-OE1 3.46Å; K281-E284 IonicContact NZ-OE2 2.86Å; K281-E284 PolarHBondContact NZ-OE2 3.35Å; K281-E284 WeakPolarHBondContact O-CB 3.29Å; K281-E284 PolarHBondContact O-N 3Å; K281-E284 VanDerWaalsContact O-N 3.17Å; K281-Y285 HydrophobicContact CB-CE1 4.46Å; K281-Y285 HydrophobicContact CB-CE2 3.98Å; K281-Y285 WeakPolarHBondContact CE-OH 3.41Å; K281-Y285 WeakPolarHBondContact O-CB 3.37Å; K281-Y285 WeakPolarHBondContact O-CD1 3.45Å; K281-Y285 WeakPolarHBondContact O-CD2 3.25Å; K281-Y285 PolarHBondContact O-N 3.33Å; K281-E312 IonicContact NZ-OE2 3.58Å
282	L	98.8	Very high	98.5	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.3	-38.3	178.3	-70.9	167.7	0	0	0	112.2	C208 F211 L212 P237 T238 L278 Y285 A286 I313	C208-L282 HydrophobicContact CB-CD2 4.07Å; F211-L282 HydrophobicContact CD1-CB 4.15Å; F211-L282 HydrophobicContact CD1-CD2 3.84Å; F211-L282 HydrophobicContact CD1-CG 4.44Å; F211-L282 HydrophobicContact CE1-CB 3.9Å; F211-L282 HydrophobicContact CE1-CD2 4.36Å; L212-L282 HydrophobicContact CD2-CD2 4.16Å; L212-L282 HydrophobicContact CG-CD2 4.32Å; P237-L282 HydrophobicContact CB-CB 4.16Å; P237-L282 HydrophobicContact CB-CD1 3.96Å; P237-L282 HydrophobicContact CG-CB 3.99Å; P237-L282 HydrophobicContact CG-CD1 3.92Å; T238-L282 HydrophobicContact CG2-CD1 3.77Å; L278-L282 HydrophobicContact CB-CD1 4.46Å; L278-L282 WeakPolarHBondContact O-CB 3.14Å; L278-L282 WeakPolarHBondContact O-CG 3.34Å; L278-L282 PolarHBondContact O-N 2.97Å; L282-Y285 PolarHBondContact O-N 2.92Å; L282-A286 WeakPolarHBondContact O-CB 3.17Å; L282-A286 PolarHBondContact O-N 3.35Å; L282-I313 HydrophobicContact CD2-CD1 3.69Å
283	R	98.7	Very high	98.5	Very high	110 Å²	110	51.1 Å²	51.1	42%	0.415	24%	0.242	S	C	.	.	H	α-helix	trans	-68.6	-40.3	175.4	-69.6	168.4	-176.4	149.3	-1.3	112.4	L234 L235 K279 K281 Y285 A286 R287	L234-R283 HydrophobicContact CD2-CG 4.06Å; L234-R283 PolarHBondContact O-NE 3.48Å; L234-R283 PolarHBondContact O-NH2 3.4Å; L235-R283 PolarHBondContact O-NH2 3.35Å; K279-R283 WeakPolarHBondContact O-CD 3.46Å; K279-R283 VanDerWaalsContact O-CG 3.26Å; K279-R283 WeakPolarHBondContact O-CG 3.25Å; K279-R283 PolarHBondContact O-N 3.27Å; K279-R283 VanDerWaalsContact O-N 3.15Å; K281-R283 VanDerWaalsContact C-N 3.3Å; K281-R283 PolarHBondContact O-N 3.16Å; R283-Y285 VanDerWaalsContact C-N 3.35Å; R283-A286 PolarHBondContact O-N 3.47Å; R283-R287 PolarHBondContact O-N 3.24Å
284	E	98.8	Very high	98.4	Very high	85 Å²	85	49.7 Å²	49.7	40%	0.397	24%	0.243	S	C	.	.	H	α-helix	trans	-60.8	-45.2	171.9	-174.8	-164.9	131.7	0	0	111.2	S280 K281 A286 R287 N288	S280-E284 PolarHBondContact O-N 2.7Å; K281-E284 IonicContact NZ-OE1 2.74Å; K281-E284 PolarHBondContact NZ-OE1 3.46Å; K281-E284 IonicContact NZ-OE2 2.86Å; K281-E284 PolarHBondContact NZ-OE2 3.35Å; K281-E284 WeakPolarHBondContact O-CB 3.29Å; K281-E284 PolarHBondContact O-N 3Å; K281-E284 VanDerWaalsContact O-N 3.17Å; E284-A286 VanDerWaalsContact C-N 3.35Å; E284-A286 PolarHBondContact O-N 3.43Å; E284-R287 WeakPolarHBondContact O-CB 3.4Å; E284-R287 PolarHBondContact O-N 2.88Å; E284-N288 VanDerWaalsContact O-CG 3.3Å; E284-N288 PolarHBondContact O-N 3.27Å
285	Y	98.8	Very high	98.4	Very high	6 Å²	6	56.9 Å²	56.9	2%	0.024	27%	0.274	C	S	.	.	H	α-helix	trans	-65.3	-38.7	178.6	-64.8	-12.1	0	0	0	112.6	L212 K281 L282 R283 R287 N288 L289 Q309 E312 I313	L212-Y285 HydrophobicContact CD2-CD2 4.24Å; L212-Y285 HydrophobicContact CD2-CG 4.45Å; K281-Y285 HydrophobicContact CB-CE1 4.46Å; K281-Y285 HydrophobicContact CB-CE2 3.98Å; K281-Y285 WeakPolarHBondContact CE-OH 3.41Å; K281-Y285 WeakPolarHBondContact O-CB 3.37Å; K281-Y285 WeakPolarHBondContact O-CD1 3.45Å; K281-Y285 WeakPolarHBondContact O-CD2 3.25Å; K281-Y285 PolarHBondContact O-N 3.33Å; L282-Y285 PolarHBondContact O-N 2.92Å; R283-Y285 VanDerWaalsContact C-N 3.35Å; Y285-R287 VanDerWaalsContact C-N 3.31Å; Y285-R287 PolarHBondContact O-N 3.43Å; Y285-N288 PolarHBondContact O-N 2.86Å; Y285-N288 VanDerWaalsContact O-N 3.15Å; Y285-L289 WeakPolarHBondContact O-CB 3.4Å; Y285-L289 WeakPolarHBondContact O-CG 3.36Å; Y285-L289 PolarHBondContact O-N 3.48Å; Y285-Q309 VanDerWaalsContact CB-CD 3.49Å; Y285-Q309 HydrophobicContact CD1-CB 4.4Å; Y285-Q309 HydrophobicContact CD1-CG 3.69Å; Y285-Q309 HydrophobicContact CD2-CB 3.61Å; Y285-Q309 HydrophobicContact CD2-CG 3.79Å; Y285-Q309 HydrophobicContact CE1-CB 4.43Å; Y285-Q309 HydrophobicContact CE1-CG 3.92Å; Y285-Q309 HydrophobicContact CE2-CB 3.64Å; Y285-Q309 HydrophobicContact CE2-CG 4Å; Y285-Q309 HydrophobicContact CG-CB 4Å; Y285-Q309 VanDerWaalsContact CG-CD 3.47Å; Y285-Q309 HydrophobicContact CG-CG 3.62Å; Y285-E312 VanDerWaalsContact OH-CB 3.31Å; Y285-E312 WeakPolarHBondContact OH-CB 3.49Å; Y285-E312 PolarHBondContact OH-OE2 3.45Å; Y285-I313 HydrophobicContact CD2-CD1 4.14Å; Y285-I313 HydrophobicContact CE2-CD1 3.88Å; Y285-I313 HydrophobicContact CE2-CG1 4Å
286	A	98.8	Very high	98.3	Very high	4 Å²	4	63.5 Å²	63.5	3%	0.033	31%	0.309	C	S	.	.	H	α-helix	trans	-58.9	-45	174.6	0	0	0	0	0	111.1	F211 V215 L234 L282 R283 E284 L289 R290	F211-A286 HydrophobicContact CE1-CB 4.11Å; F211-A286 HydrophobicContact CZ-CB 4.01Å; V215-A286 HydrophobicContact CG1-CB 4.08Å; V215-A286 HydrophobicContact CG2-CB 3.73Å; L234-A286 HydrophobicContact CD2-CB 3.79Å; L282-A286 WeakPolarHBondContact O-CB 3.17Å; L282-A286 PolarHBondContact O-N 3.35Å; R283-A286 PolarHBondContact O-N 3.47Å; E284-A286 VanDerWaalsContact C-N 3.35Å; E284-A286 PolarHBondContact O-N 3.43Å; A286-L289 PolarHBondContact O-N 3.05Å; A286-R290 VanDerWaalsContact O-CG 3.28Å; A286-R290 WeakPolarHBondContact O-CG 3.42Å; A286-R290 PolarHBondContact O-N 2.8Å
287	R	98.6	Very high	98.3	Very high	164 Å²	164	62 Å²	62	62%	0.619	30%	0.295	S	S	*	.	H	α-helix	trans	-59	-48.9	172.9	-177.8	-169.2	178	-79.2	-3.8	111.3	R283 E284 Y285 L289 R290 V291	R283-R287 PolarHBondContact O-N 3.24Å; E284-R287 WeakPolarHBondContact O-CB 3.4Å; E284-R287 PolarHBondContact O-N 2.88Å; Y285-R287 VanDerWaalsContact C-N 3.31Å; Y285-R287 PolarHBondContact O-N 3.43Å; R287-L289 VanDerWaalsContact C-N 3.34Å; R287-L289 PolarHBondContact O-N 3.04Å; R287-R290 PolarHBondContact O-N 3.32Å; R287-V291 HydrophobicContact CG-CG2 4.46Å; R287-V291 WeakPolarHBondContact O-CG2 3.49Å; R287-V291 PolarHBondContact O-N 2.85Å
288	N	98.5	Very high	98.2	Very high	48 Å²	48	61.1 Å²	61.1	26%	0.257	29%	0.294	S	S	.	.	H	α-helix	trans	-61.4	-42	-177.4	-68.1	-15.8	0	0	0	112.1	E284 Y285 L292	E284-N288 VanDerWaalsContact O-CG 3.3Å; E284-N288 PolarHBondContact O-N 3.27Å; Y285-N288 PolarHBondContact O-N 2.86Å; Y285-N288 VanDerWaalsContact O-N 3.15Å; N288-L292 WeakPolarHBondContact O-CB 3.1Å; N288-L292 PolarHBondContact O-N 3.45Å
289	L	98.7	Very high	98.2	Very high	2 Å²	2	66.6 Å²	66.6	1%	0.01	32%	0.324	C	S	.	.	H	α-helix	trans	-65.2	-43	175.6	-72.2	169.9	0	0	0	111.4	L212 V215 V216 Y285 A286 R287 L292 M293 K305 I306	L212-L289 HydrophobicContact CB-CD1 3.93Å; L212-L289 HydrophobicContact CD2-CD1 3.77Å; L212-L289 HydrophobicContact CG-CD1 4.37Å; V215-L289 HydrophobicContact CB-CD1 4.49Å; V215-L289 HydrophobicContact CG1-CB 4.15Å; V216-L289 HydrophobicContact CG2-CD1 4.39Å; V216-L289 HydrophobicContact CG2-CD2 4.31Å; Y285-L289 WeakPolarHBondContact O-CB 3.4Å; Y285-L289 WeakPolarHBondContact O-CG 3.36Å; Y285-L289 PolarHBondContact O-N 3.48Å; A286-L289 PolarHBondContact O-N 3.05Å; R287-L289 VanDerWaalsContact C-N 3.34Å; R287-L289 PolarHBondContact O-N 3.04Å; L289-L292 WeakPolarHBondContact O-CB 3.32Å; L289-L292 PolarHBondContact O-N 3.22Å; L289-L292 VanDerWaalsContact O-N 3.15Å; L289-M293 VanDerWaalsContact O-CG 3.31Å; L289-M293 WeakPolarHBondContact O-CG 3.32Å; L289-M293 PolarHBondContact O-N 3.35Å; L289-K305 HydrophobicContact CD2-CB 4.21Å; L289-K305 HydrophobicContact CD2-CG 3.95Å; L289-I306 HydrophobicContact CD1-CG1 4.28Å; L289-I306 HydrophobicContact CD2-CG1 3.89Å
290	R	98.3	Very high	98.2	Very high	43 Å²	43	71.1 Å²	71.1	16%	0.162	35%	0.346	C	S	.	.	H	α-helix	trans	-65	-41.5	178	-69.9	-175.7	66.7	86.1	7	112.9	V215 A219 E223 A286 R287 L292 M293 E294	V215-R290 HydrophobicContact CG1-CG 3.7Å; A219-R290 HydrophobicContact CB-CG 4.44Å; E223-R290 PolarHBondContact O-NH1 3.31Å; E223-R290 VanDerWaalsContact O-NH1 3.12Å; E223-R290 PolarHBondContact O-NH2 3.38Å; A286-R290 VanDerWaalsContact O-CG 3.28Å; A286-R290 WeakPolarHBondContact O-CG 3.42Å; A286-R290 PolarHBondContact O-N 2.8Å; R287-R290 PolarHBondContact O-N 3.32Å; R290-L292 VanDerWaalsContact C-N 3.26Å; R290-L292 PolarHBondContact O-N 3.13Å; R290-M293 WeakPolarHBondContact O-CB 3.35Å; R290-M293 PolarHBondContact O-N 3.2Å; R290-M293 VanDerWaalsContact O-N 3.15Å; R290-E294 PolarHBondContact O-N 3.25Å; R290-E294 VanDerWaalsContact O-N 3.15Å
291	V	98.1	Very high	98.1	Very high	48 Å²	48	72.5 Å²	72.5	29%	0.291	34%	0.344	S	S	.	.	H	α-helix	trans	-63	-34.6	172.7	170.9	0	0	0	0	111.5	R287	R287-V291 HydrophobicContact CG-CG2 4.46Å; R287-V291 WeakPolarHBondContact O-CG2 3.49Å; R287-V291 PolarHBondContact O-N 2.85Å
292	L	98.3	Very high	98.1	Very high	36 Å²	36	70.8 Å²	70.8	19%	0.188	34%	0.337	C	S	.	.	H	α-helix	trans	-64.6	-45.8	172.7	-178.8	62.4	0	0	0	110.5	N288 L289 R290 E294 K295 P297 K305	N288-L292 WeakPolarHBondContact O-CB 3.1Å; N288-L292 PolarHBondContact O-N 3.45Å; L289-L292 WeakPolarHBondContact O-CB 3.32Å; L289-L292 PolarHBondContact O-N 3.22Å; L289-L292 VanDerWaalsContact O-N 3.15Å; R290-L292 VanDerWaalsContact C-N 3.26Å; R290-L292 PolarHBondContact O-N 3.13Å; L292-E294 VanDerWaalsContact C-N 3.26Å; L292-E294 PolarHBondContact O-N 3.09Å; L292-K295 WeakPolarHBondContact O-CB 3.26Å; L292-K295 PolarHBondContact O-N 3.08Å; L292-P297 HydrophobicContact CD1-CB 3.9Å; L292-P297 HydrophobicContact CD2-CB 4.44Å; L292-P297 HydrophobicContact CG-CB 3.84Å; L292-P297 HydrophobicContact CG-CG 3.97Å; L292-P297 VanDerWaalsContact O-CD 3.29Å; L292-P297 WeakPolarHBondContact O-CD 3.2Å; L292-K305 HydrophobicContact CD2-CB 3.89Å; L292-K305 HydrophobicContact CD2-CG 4.19Å
293	M	97.9	Very high	98.1	Very high	33 Å²	33	72.9 Å²	72.9	16%	0.163	35%	0.354	C	S	.	.	H	α-helix	trans	-59.3	-31.9	179.1	-68.6	-56.8	-55.9	0	0	113.9	V216 A219 Q220 L289 R290 K295 N296 P297 I302	V216-M293 HydrophobicContact CG1-SD 3.94Å; A219-M293 HydrophobicContact CB-CB 4.02Å; A219-M293 HydrophobicContact CB-CG 3.8Å; Q220-M293 HydrophobicContact CG-CE 3.52Å; L289-M293 VanDerWaalsContact O-CG 3.31Å; L289-M293 WeakPolarHBondContact O-CG 3.32Å; L289-M293 PolarHBondContact O-N 3.35Å; R290-M293 WeakPolarHBondContact O-CB 3.35Å; R290-M293 PolarHBondContact O-N 3.2Å; R290-M293 VanDerWaalsContact O-N 3.15Å; M293-K295 PolarHBondContact O-N 3.09Å; M293-N296 PolarHBondContact O-N 3.32Å; M293-P297 HydrophobicContact SD-CG 3.89Å; M293-I302 HydrophobicContact CE-CD1 4.41Å; M293-I302 HydrophobicContact SD-CD1 3.64Å; M293-I302 HydrophobicContact SD-CG1 4.07Å
294	E	96.5	Very high	98.1	Very high	148 Å²	148	71.4 Å²	71.4	69%	0.692	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-19.1	174.6	-70.7	169.1	-172.9	0	0	113.4	R290 L292	R290-E294 PolarHBondContact O-N 3.25Å; R290-E294 VanDerWaalsContact O-N 3.15Å; L292-E294 VanDerWaalsContact C-N 3.26Å; L292-E294 PolarHBondContact O-N 3.09Å
295	K	97.1	Very high	98.1	Very high	154 Å²	154	69.8 Å²	69.8	67%	0.67	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	4.4	179.8	-58.2	178.6	-177.3	178.9	0	113.6	L292 M293	L292-K295 WeakPolarHBondContact O-CB 3.26Å; L292-K295 PolarHBondContact O-N 3.08Å; M293-K295 PolarHBondContact O-N 3.09Å
296	N	96.3	Very high	98.1	Very high	148 Å²	148	70 Å²	70	79%	0.791	35%	0.353	S	S	*	.			trans	52.6	59.7	-172.6	-54.8	-61.4	0	0	0	112.3	M293	M293-N296 PolarHBondContact O-N 3.32Å
297	P	98	Very high	98.1	Very high	19 Å²	19	76.4 Å²	76.4	12%	0.123	38%	0.382	C	S	.	.			trans	-68.9	158.9	-175.8	34.6	-37.5	0	0	0	111	L292 M293 E301 I302	L292-P297 HydrophobicContact CD1-CB 3.9Å; L292-P297 HydrophobicContact CD2-CB 4.44Å; L292-P297 HydrophobicContact CG-CB 3.84Å; L292-P297 HydrophobicContact CG-CG 3.97Å; L292-P297 VanDerWaalsContact O-CD 3.29Å; L292-P297 WeakPolarHBondContact O-CD 3.2Å; M293-P297 HydrophobicContact SD-CG 3.89Å; P297-E301 WeakPolarHBondContact CA-OE2 3.31Å; P297-E301 HydrophobicContact CB-CB 4.1Å; P297-E301 WeakPolarHBondContact CB-OE2 3.48Å; P297-I302 HydrophobicContact CB-CG1 4.16Å; P297-I302 HydrophobicContact CG-CD1 3.98Å; P297-I302 HydrophobicContact CG-CG1 3.71Å
298	T	98.1	Very high	98.1	Very high	70 Å²	70	73.4 Å²	73.4	43%	0.429	38%	0.375	S	S	.	.			trans	-75.9	161.4	168.6	84.2	0	0	0	0	111.1	E300 E301 I302	T298-E300 WeakPolarHBondContact CB-OE2 3.37Å; T298-E300 PolarHBondContact O-N 3.36Å; T298-E300 PolarHBondContact OG1-N 3.18Å; T298-E300 PolarHBondContact OG1-OE2 2.8Å; T298-E301 PolarHBondContact N-OE2 2.77Å; T298-E301 PolarHBondContact O-N 2.71Å; T298-E301 VanDerWaalsContact O-N 3.11Å; T298-E301 PolarHBondContact OG1-N 2.85Å; T298-I302 WeakPolarHBondContact O-CG1 3.07Å; T298-I302 PolarHBondContact O-N 2.59Å; T298-I302 VanDerWaalsContact O-N 3.08Å
299	D	97.6	Very high	98.1	Very high	116 Å²	116	71.2 Å²	71.2	62%	0.62	36%	0.363	S	S	*	.	H	α-helix	trans	-59.8	-34	176.4	-72.3	-20.9	0	0	0	111.6	I302 A303	D299-I302 PolarHBondContact O-N 3.36Å; D299-A303 VanDerWaalsContact O-CB 3.31Å; D299-A303 WeakPolarHBondContact O-CB 3.29Å; D299-A303 PolarHBondContact O-N 2.69Å
300	E	98.1	Very high	98.1	Very high	137 Å²	137	72.3 Å²	72.3	64%	0.64	37%	0.369	S	S	*	.	H	α-helix	trans	-65.6	-40.4	174.6	-61.9	74.3	-161	0	0	112.3	T298 A303 C304	T298-E300 WeakPolarHBondContact CB-OE2 3.37Å; T298-E300 PolarHBondContact O-N 3.36Å; T298-E300 PolarHBondContact OG1-N 3.18Å; T298-E300 PolarHBondContact OG1-OE2 2.8Å; E300-A303 PolarHBondContact O-N 3Å; E300-C304 VanDerWaalsContact O-CB 3.22Å; E300-C304 WeakPolarHBondContact O-CB 3.49Å; E300-C304 PolarHBondContact O-N 2.85Å
301	E	98.4	Very high	98.1	Very high	102 Å²	102	73.2 Å²	73.2	48%	0.477	39%	0.385	S	S	.	.	H	α-helix	trans	-65.5	-41.1	176.7	-68.6	179.1	133	0	0	111.3	P297 T298 K305	P297-E301 WeakPolarHBondContact CA-OE2 3.31Å; P297-E301 HydrophobicContact CB-CB 4.1Å; P297-E301 WeakPolarHBondContact CB-OE2 3.48Å; T298-E301 PolarHBondContact N-OE2 2.77Å; T298-E301 PolarHBondContact O-N 2.71Å; T298-E301 VanDerWaalsContact O-N 3.11Å; T298-E301 PolarHBondContact OG1-N 2.85Å; E301-K305 WeakPolarHBondContact O-CB 3.45Å; E301-K305 PolarHBondContact O-N 3.49Å
302	I	98.6	Very high	98.1	Very high	13 Å²	13	74.8 Å²	74.8	7%	0.067	39%	0.389	C	S	.	.	H	α-helix	trans	-61.4	-51.2	174.1	-63.6	168.4	0	0	0	110	V216 M293 P297 T298 D299 C304 K305 I306	V216-I302 HydrophobicContact CB-CG2 4.48Å; V216-I302 HydrophobicContact CG1-CD1 4.15Å; V216-I302 HydrophobicContact CG1-CG2 4.04Å; V216-I302 HydrophobicContact CG2-CG2 3.71Å; M293-I302 HydrophobicContact CE-CD1 4.41Å; M293-I302 HydrophobicContact SD-CD1 3.64Å; M293-I302 HydrophobicContact SD-CG1 4.07Å; P297-I302 HydrophobicContact CB-CG1 4.16Å; P297-I302 HydrophobicContact CG-CD1 3.98Å; P297-I302 HydrophobicContact CG-CG1 3.71Å; T298-I302 WeakPolarHBondContact O-CG1 3.07Å; T298-I302 PolarHBondContact O-N 2.59Å; T298-I302 VanDerWaalsContact O-N 3.08Å; D299-I302 PolarHBondContact O-N 3.36Å; I302-C304 PolarHBondContact O-N 2.98Å; I302-K305 PolarHBondContact O-N 3Å; I302-I306 HydrophobicContact CG2-CD1 4Å; I302-I306 WeakPolarHBondContact O-CG1 3.43Å; I302-I306 PolarHBondContact O-N 3.36Å
303	A	98.3	Very high	98.2	Very high	44 Å²	44	73.1 Å²	73.1	36%	0.364	38%	0.381	S	S	.	.	H	α-helix	trans	-61.1	-44.2	-178.6	0	0	0	0	0	111.7	D299 E300 K305 I306 Q307	D299-A303 VanDerWaalsContact O-CB 3.31Å; D299-A303 WeakPolarHBondContact O-CB 3.29Å; D299-A303 PolarHBondContact O-N 2.69Å; E300-A303 PolarHBondContact O-N 3Å; A303-K305 VanDerWaalsContact C-N 3.3Å; A303-K305 PolarHBondContact O-N 3.29Å; A303-I306 PolarHBondContact O-N 3.4Å; A303-Q307 WeakPolarHBondContact O-CB 3.26Å; A303-Q307 VanDerWaalsContact O-CG 3.3Å; A303-Q307 WeakPolarHBondContact O-CG 3.38Å; A303-Q307 PolarHBondContact O-N 3Å
304	C	98.5	Very high	98.2	Very high	79 Å²	79	75.9 Å²	75.9	53%	0.534	39%	0.39	S	S	.	.	H	α-helix	trans	-58.5	-43.6	175.6	-174.7	0	0	0	0	111.2	E300 I302 Q307 E308	E300-C304 VanDerWaalsContact O-CB 3.22Å; E300-C304 WeakPolarHBondContact O-CB 3.49Å; E300-C304 PolarHBondContact O-N 2.85Å; I302-C304 PolarHBondContact O-N 2.98Å; C304-Q307 PolarHBondContact O-N 2.89Å; C304-E308 PolarHBondContact O-N 3.47Å
305	K	98.7	Very high	98.3	Very high	51 Å²	51	75.3 Å²	75.3	22%	0.222	39%	0.385	C	S	.	.	H	α-helix	trans	-66.7	-40.7	179.5	-169.5	63.2	-170.6	167.5	0	112.9	L289 L292 E301 I302 A303 E308 Q309	L289-K305 HydrophobicContact CD2-CB 4.21Å; L289-K305 HydrophobicContact CD2-CG 3.95Å; L292-K305 HydrophobicContact CD2-CB 3.89Å; L292-K305 HydrophobicContact CD2-CG 4.19Å; E301-K305 WeakPolarHBondContact O-CB 3.45Å; E301-K305 PolarHBondContact O-N 3.49Å; I302-K305 PolarHBondContact O-N 3Å; A303-K305 VanDerWaalsContact C-N 3.3Å; A303-K305 PolarHBondContact O-N 3.29Å; K305-E308 WeakPolarHBondContact CD-OE2 2.93Å; K305-E308 IonicContact NZ-OE1 3.41Å; K305-E308 PolarHBondContact NZ-OE1 3.44Å; K305-E308 IonicContact NZ-OE2 3.71Å; K305-E308 PolarHBondContact NZ-OE2 3.44Å; K305-Q309 VanDerWaalsContact O-CG 3.3Å; K305-Q309 WeakPolarHBondContact O-CG 3.35Å; K305-Q309 PolarHBondContact O-N 3.38Å
306	I	98.7	Very high	98.4	Very high	12 Å²	12	69.4 Å²	69.4	6%	0.062	36%	0.362	C	S	.	.	H	α-helix	trans	-64.2	-42.6	175.3	-68.8	176.7	0	0	0	110.5	N209 L212 V216 L289 I302 A303 E308 Q309 M310	N209-I306 WeakPolarHBondContact OD1-CG2 3.44Å; L212-I306 HydrophobicContact CB-CD1 4.47Å; L212-I306 HydrophobicContact CB-CG1 4.33Å; L212-I306 HydrophobicContact CB-CG2 4.4Å; L212-I306 HydrophobicContact CD1-CG2 4.23Å; V216-I306 HydrophobicContact CG2-CD1 4.19Å; L289-I306 HydrophobicContact CD1-CG1 4.28Å; L289-I306 HydrophobicContact CD2-CG1 3.89Å; I302-I306 HydrophobicContact CG2-CD1 4Å; I302-I306 WeakPolarHBondContact O-CG1 3.43Å; I302-I306 PolarHBondContact O-N 3.36Å; A303-I306 PolarHBondContact O-N 3.4Å; I306-E308 PolarHBondContact O-N 3.06Å; I306-Q309 PolarHBondContact O-N 2.97Å; I306-M310 HydrophobicContact CG2-CG 4.09Å; I306-M310 WeakPolarHBondContact O-CB 3.4Å; I306-M310 WeakPolarHBondContact O-CG 3.32Å; I306-M310 PolarHBondContact O-N 2.92Å
307	Q	98.5	Very high	98.5	Very high	137 Å²	137	62.3 Å²	62.3	64%	0.64	32%	0.324	S	S	*	.	H	α-helix	trans	-61.4	-43.7	178.6	-74.9	177.3	5.8	0	0	112.6	A303 C304 Q309 M310 A311	A303-Q307 WeakPolarHBondContact O-CB 3.26Å; A303-Q307 VanDerWaalsContact O-CG 3.3Å; A303-Q307 WeakPolarHBondContact O-CG 3.38Å; A303-Q307 PolarHBondContact O-N 3Å; C304-Q307 PolarHBondContact O-N 2.89Å; Q307-Q309 VanDerWaalsContact C-N 3.34Å; Q307-Q309 PolarHBondContact O-N 3.39Å; Q307-M310 PolarHBondContact O-N 3.41Å; Q307-A311 PolarHBondContact O-N 3.17Å
308	E	98.6	Very high	98.6	Very high	102 Å²	102	62 Å²	62	48%	0.477	33%	0.325	S	S	.	.	H	α-helix	trans	-56	-48.9	174.1	-176.6	-161.6	146.6	0	0	111.2	C304 K305 I306 A311	C304-E308 PolarHBondContact O-N 3.47Å; K305-E308 WeakPolarHBondContact CD-OE2 2.93Å; K305-E308 IonicContact NZ-OE1 3.41Å; K305-E308 PolarHBondContact NZ-OE1 3.44Å; K305-E308 IonicContact NZ-OE2 3.71Å; K305-E308 PolarHBondContact NZ-OE2 3.44Å; I306-E308 PolarHBondContact O-N 3.06Å; E308-A311 WeakPolarHBondContact O-CB 3.4Å; E308-A311 PolarHBondContact O-N 2.98Å
309	Q	98.8	Very high	98.6	Very high	2 Å²	2	65 Å²	65	1%	0.009	34%	0.337	C	S	.	.	H	α-helix	trans	-65.5	-40	179.9	-71.2	172.2	-15.2	0	0	112.4	L212 Y285 K305 I306 Q307 A311 E312 I313	L212-Q309 HydrophobicContact CD1-CB 4.03Å; Y285-Q309 VanDerWaalsContact CB-CD 3.49Å; Y285-Q309 HydrophobicContact CD1-CB 4.4Å; Y285-Q309 HydrophobicContact CD1-CG 3.69Å; Y285-Q309 HydrophobicContact CD2-CB 3.61Å; Y285-Q309 HydrophobicContact CD2-CG 3.79Å; Y285-Q309 HydrophobicContact CE1-CB 4.43Å; Y285-Q309 HydrophobicContact CE1-CG 3.92Å; Y285-Q309 HydrophobicContact CE2-CB 3.64Å; Y285-Q309 HydrophobicContact CE2-CG 4Å; Y285-Q309 HydrophobicContact CG-CB 4Å; Y285-Q309 VanDerWaalsContact CG-CD 3.47Å; Y285-Q309 HydrophobicContact CG-CG 3.62Å; K305-Q309 VanDerWaalsContact O-CG 3.3Å; K305-Q309 WeakPolarHBondContact O-CG 3.35Å; K305-Q309 PolarHBondContact O-N 3.38Å; I306-Q309 PolarHBondContact O-N 2.97Å; Q307-Q309 VanDerWaalsContact C-N 3.34Å; Q307-Q309 PolarHBondContact O-N 3.39Å; Q309-A311 VanDerWaalsContact C-N 3.32Å; Q309-A311 PolarHBondContact O-N 3.38Å; Q309-E312 PolarHBondContact O-N 2.81Å; Q309-I313 WeakPolarHBondContact O-CG1 3.29Å; Q309-I313 PolarHBondContact O-N 2.84Å; Q309-I313 VanDerWaalsContact O-N 3.14Å
310	M	98.8	Very high	98.6	Very high	25 Å²	25	60.8 Å²	60.8	12%	0.123	32%	0.316	C	S	.	.	H	α-helix	trans	-66.6	-31.5	177.2	-77.2	-54.4	-54.4	0	0	112.7	I205 C208 N209 L212 I306 Q307 E312 I313 Y314	I205-M310 HydrophobicContact CG2-CE 3.91Å; I205-M310 VanDerWaalsContact O-CE 3.26Å; I205-M310 WeakPolarHBondContact O-CE 3.5Å; C208-M310 HydrophobicContact CB-CE 4.34Å; C208-M310 HydrophobicContact CB-SD 4.1Å; N209-M310 HydrophobicContact CB-CE 3.97Å; N209-M310 HydrophobicContact CB-CG 4.33Å; N209-M310 HydrophobicContact CB-SD 3.75Å; L212-M310 HydrophobicContact CD1-CG 4.25Å; L212-M310 HydrophobicContact CD1-SD 4.01Å; I306-M310 HydrophobicContact CG2-CG 4.09Å; I306-M310 WeakPolarHBondContact O-CB 3.4Å; I306-M310 WeakPolarHBondContact O-CG 3.32Å; I306-M310 PolarHBondContact O-N 2.92Å; Q307-M310 PolarHBondContact O-N 3.41Å; M310-E312 VanDerWaalsContact C-N 3.31Å; M310-E312 PolarHBondContact O-N 3.26Å; M310-I313 HydrophobicContact CE-CB 4.35Å; M310-I313 HydrophobicContact CE-CG2 4.09Å; M310-I313 PolarHBondContact O-N 3.39Å; M310-I313 HydrophobicContact SD-CB 4.42Å; M310-I313 HydrophobicContact SD-CD1 3.78Å; M310-I313 HydrophobicContact SD-CG2 4.49Å; M310-Y314 WeakPolarHBondContact O-CB 3.3Å; M310-Y314 PolarHBondContact O-N 2.89Å
311	A	98.8	Very high	98.7	Very high	62 Å²	62	54.7 Å²	54.7	51%	0.512	29%	0.287	S	S	.	.	H	α-helix	trans	-62.7	-37.6	173.9	0	0	0	0	0	112.2	Q307 E308 Q309 K315	Q307-A311 PolarHBondContact O-N 3.17Å; E308-A311 WeakPolarHBondContact O-CB 3.4Å; E308-A311 PolarHBondContact O-N 2.98Å; Q309-A311 VanDerWaalsContact C-N 3.32Å; Q309-A311 PolarHBondContact O-N 3.38Å; A311-K315 PolarHBondContact O-N 3.13Å
312	E	98.7	Very high	98.7	Very high	80 Å²	80	51.3 Å²	51.3	37%	0.374	28%	0.28	S	S	.	.	H	α-helix	trans	-68.9	-40.3	173	-65.2	-165.4	-174.3	0	0	112.2	K281 Y285 Q309 M310 K315 V316	K281-E312 IonicContact NZ-OE2 3.58Å; Y285-E312 VanDerWaalsContact OH-CB 3.31Å; Y285-E312 WeakPolarHBondContact OH-CB 3.49Å; Y285-E312 PolarHBondContact OH-OE2 3.45Å; Q309-E312 PolarHBondContact O-N 2.81Å; M310-E312 VanDerWaalsContact C-N 3.31Å; M310-E312 PolarHBondContact O-N 3.26Å; E312-K315 WeakPolarHBondContact O-CB 3.31Å; E312-K315 PolarHBondContact O-N 3Å; E312-V316 WeakPolarHBondContact O-CG2 3.34Å; E312-V316 PolarHBondContact O-N 2.91Å
313	I	98.8	Very high	98.7	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.01	30%	0.3	C	S	.	.	H	α-helix	trans	-63.4	-46.8	177.7	-69.5	170	0	0	0	110.7	I205 C208 L212 L278 L282 Y285 Q309 M310 K315 V316 V317	I205-I313 HydrophobicContact CD1-CG2 4.36Å; C208-I313 HydrophobicContact CB-CD1 3.84Å; C208-I313 HydrophobicContact CB-CG2 3.78Å; L212-I313 HydrophobicContact CD1-CD1 4.28Å; L278-I313 HydrophobicContact CD2-CG2 4.14Å; L282-I313 HydrophobicContact CD2-CD1 3.69Å; Y285-I313 HydrophobicContact CD2-CD1 4.14Å; Y285-I313 HydrophobicContact CE2-CD1 3.88Å; Y285-I313 HydrophobicContact CE2-CG1 4Å; Q309-I313 WeakPolarHBondContact O-CG1 3.29Å; Q309-I313 PolarHBondContact O-N 2.84Å; Q309-I313 VanDerWaalsContact O-N 3.14Å; M310-I313 HydrophobicContact CE-CB 4.35Å; M310-I313 HydrophobicContact CE-CG2 4.09Å; M310-I313 PolarHBondContact O-N 3.39Å; M310-I313 HydrophobicContact SD-CB 4.42Å; M310-I313 HydrophobicContact SD-CD1 3.78Å; M310-I313 HydrophobicContact SD-CG2 4.49Å; I313-K315 VanDerWaalsContact C-N 3.25Å; I313-K315 PolarHBondContact O-N 2.67Å; I313-V316 PolarHBondContact O-N 2.87Å; I313-V316 VanDerWaalsContact O-N 3.12Å; I313-V317 HydrophobicContact CG2-CG2 4.3Å; I313-V317 WeakPolarHBondContact O-CG2 3.37Å; I313-V317 PolarHBondContact O-N 3.17Å
314	Y	98.8	Very high	98.6	Very high	91 Å²	91	53.8 Å²	53.8	36%	0.357	29%	0.287	S	S	.	.	H	α-helix	trans	-55.7	-42.7	176	-171.7	-86	0	0	0	111.5	Y201 I205 M310 G318 I323	Y201-Y314 WeakPolarHBondContact OH-CE2 3.15Å; Y201-Y314 PolarHBondContact OH-OH 2.79Å; I205-Y314 HydrophobicContact CD1-CD2 3.96Å; I205-Y314 HydrophobicContact CD1-CG 4.42Å; M310-Y314 WeakPolarHBondContact O-CB 3.3Å; M310-Y314 PolarHBondContact O-N 2.89Å; Y314-G318 PolarHBondContact O-N 2.67Å; Y314-I323 HydrophobicContact CE1-CD1 3.97Å; Y314-I323 WeakPolarHBondContact OH-CG2 3.15Å
315	K	98.7	Very high	98.6	Very high	135 Å²	135	53.4 Å²	53.4	59%	0.587	29%	0.285	S	S	*	.	H	α-helix	trans	-60.6	-48.2	174.7	-175.7	-171.5	-59.8	171.2	0	112.3	A311 E312 I313 I319	A311-K315 PolarHBondContact O-N 3.13Å; E312-K315 WeakPolarHBondContact O-CB 3.31Å; E312-K315 PolarHBondContact O-N 3Å; I313-K315 VanDerWaalsContact C-N 3.25Å; I313-K315 PolarHBondContact O-N 2.67Å; K315-I319 HydrophobicContact CG-CD1 3.89Å; K315-I319 WeakPolarHBondContact O-CB 3.25Å; K315-I319 WeakPolarHBondContact O-CD1 3.29Å; K315-I319 WeakPolarHBondContact O-CG1 3.16Å; K315-I319 PolarHBondContact O-N 2.84Å
316	V	98.8	Very high	98.5	Very high	30 Å²	30	59.5 Å²	59.5	18%	0.182	31%	0.314	C	S	.	.	H	α-helix	trans	-62.6	-47.8	-179.9	172.3	0	0	0	0	111.4	I277 L278 E312 I313 I319 C320	I277-V316 HydrophobicContact CB-CG1 4.41Å; I277-V316 HydrophobicContact CG2-CG1 3.81Å; I277-V316 HydrophobicContact CG2-CG2 4.19Å; L278-V316 HydrophobicContact CD2-CB 4.03Å; L278-V316 HydrophobicContact CD2-CG1 3.74Å; L278-V316 HydrophobicContact CG-CG1 4.14Å; E312-V316 WeakPolarHBondContact O-CG2 3.34Å; E312-V316 PolarHBondContact O-N 2.91Å; I313-V316 PolarHBondContact O-N 2.87Å; I313-V316 VanDerWaalsContact O-N 3.12Å; V316-I319 PolarHBondContact O-N 3.38Å; V316-C320 WeakPolarHBondContact O-CB 3.41Å; V316-C320 PolarHBondContact O-N 3.23Å; V316-C320 VanDerWaalsContact O-N 3.08Å; V316-C320 PolarHBondContact O-SG 2.88Å
317	V	98.8	Very high	98.5	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-64.3	-45.5	-179.7	177.9	0	0	0	0	110.6	Y201 K204 I205 L278 I313 I319 C320 L321	Y201-V317 HydrophobicContact CD2-CG1 3.63Å; Y201-V317 HydrophobicContact CE2-CG1 3.77Å; Y201-V317 HydrophobicContact CG-CG1 4.36Å; K204-V317 HydrophobicContact CB-CG1 4.39Å; K204-V317 HydrophobicContact CB-CG2 4.31Å; K204-V317 HydrophobicContact CG-CG2 3.82Å; I205-V317 HydrophobicContact CD1-CB 3.78Å; I205-V317 HydrophobicContact CD1-CG1 4.03Å; I205-V317 HydrophobicContact CD1-CG2 3.89Å; I205-V317 HydrophobicContact CG1-CG1 4.28Å; L278-V317 HydrophobicContact CD1-CG2 4.05Å; L278-V317 HydrophobicContact CD2-CG2 4.13Å; I313-V317 HydrophobicContact CG2-CG2 4.3Å; I313-V317 WeakPolarHBondContact O-CG2 3.37Å; I313-V317 PolarHBondContact O-N 3.17Å; V317-I319 PolarHBondContact O-N 2.85Å; V317-C320 PolarHBondContact O-N 2.9Å; V317-C320 VanDerWaalsContact O-N 3.12Å; V317-L321 HydrophobicContact CG1-CD1 3.71Å; V317-L321 HydrophobicContact CG1-CG 4.26Å; V317-L321 WeakPolarHBondContact O-CB 3.24Å; V317-L321 PolarHBondContact O-N 3.14Å
318	G	98.7	Very high	98.5	Very high	13 Å²	13	57 Å²	57	13%	0.134	31%	0.308	C	S	.	.	H	α-helix	trans	-61.4	-38.3	176.1	0	0	0	0	0	113.8	Y314 C320 G322	Y314-G318 PolarHBondContact O-N 2.67Å; G318-C320 VanDerWaalsContact C-N 3.33Å; G318-G322 CarbonylContact O-C 3.56Å; G318-G322 WeakPolarHBondContact O-CA 3.2Å; G318-G322 PolarHBondContact O-N 3.15Å
319	I	98.7	Very high	98.5	Very high	133 Å²	133	55.4 Å²	55.4	68%	0.682	31%	0.305	S	S	*	.	H	α-helix	trans	-63.8	-39.7	173.2	-73	166	0	0	0	111.2	K315 V316 V317	K315-I319 HydrophobicContact CG-CD1 3.89Å; K315-I319 WeakPolarHBondContact O-CB 3.25Å; K315-I319 WeakPolarHBondContact O-CD1 3.29Å; K315-I319 WeakPolarHBondContact O-CG1 3.16Å; K315-I319 PolarHBondContact O-N 2.84Å; V316-I319 PolarHBondContact O-N 3.38Å; V317-I319 PolarHBondContact O-N 2.85Å
320	C	98.7	Very high	98.5	Very high	27 Å²	27	55.9 Å²	55.9	18%	0.182	31%	0.307	C	S	.	.	H	α-helix	trans	-81.4	-35.2	-173.2	-69	0	0	0	0	113.7	S265 S267 M274 V316 V317 G318	S265-C320 PolarHBondContact OG-O 3.39Å; S265-C320 VanDerWaalsContact OG-O 3.08Å; S267-C320 PolarHBondContact OG-O 3.13Å; M274-C320 HydrophobicContact CB-CB 4.28Å; M274-C320 HydrophobicContact CG-CB 3.86Å; M274-C320 HydrophobicContact SD-CB 3.57Å; M274-C320 VanDerWaalsContact SD-CB 3.57Å; V316-C320 WeakPolarHBondContact O-CB 3.41Å; V316-C320 PolarHBondContact O-N 3.23Å; V316-C320 VanDerWaalsContact O-N 3.08Å; V316-C320 PolarHBondContact O-SG 2.88Å; V317-C320 PolarHBondContact O-N 2.9Å; V317-C320 VanDerWaalsContact O-N 3.12Å; G318-C320 VanDerWaalsContact C-N 3.33Å
321	L	98.6	Very high	98.4	Very high	8 Å²	8	60.3 Å²	60.3	4%	0.042	33%	0.328	C	S	.	.	H	α-helix	trans	-115.1	-15.6	-170.1	-51.6	-176.3	0	0	0	113.7	F200 Y201 F262 C268 M274 V317	F200-L321 HydrophobicContact CD1-CD1 3.91Å; F200-L321 HydrophobicContact CD1-CD2 4.27Å; F200-L321 HydrophobicContact CE1-CD1 4.23Å; F200-L321 HydrophobicContact CE1-CD2 4.18Å; Y201-L321 HydrophobicContact CD2-CB 4.19Å; Y201-L321 HydrophobicContact CD2-CD1 4.25Å; F262-L321 VanDerWaalsContact CZ-O 3.29Å; F262-L321 WeakPolarHBondContact CZ-O 3.3Å; C268-L321 VanDerWaalsContact SG-CD2 3.59Å; M274-L321 HydrophobicContact CE-CD1 4.33Å; M274-L321 HydrophobicContact CE-CD2 4.21Å; M274-L321 HydrophobicContact SD-CD1 4.08Å; M274-L321 HydrophobicContact SD-CD2 3.79Å; M274-L321 HydrophobicContact SD-CG 3.83Å; V317-L321 HydrophobicContact CG1-CD1 3.71Å; V317-L321 HydrophobicContact CG1-CG 4.26Å; V317-L321 WeakPolarHBondContact O-CB 3.24Å; V317-L321 PolarHBondContact O-N 3.14Å
322	G	98.5	Very high	98.4	Very high	31 Å²	31	58.5 Å²	58.5	32%	0.32	31%	0.307	S	S	.	.			trans	83.1	167.8	-161.3	0	0	0	0	0	111.6	Y201 G318	Y201-G322 VanDerWaalsContact CD2-O 3.24Å; Y201-G322 WeakPolarHBondContact CD2-O 3.21Å; Y201-G322 WeakPolarHBondContact CE2-O 3.21Å; G318-G322 CarbonylContact O-C 3.56Å; G318-G322 WeakPolarHBondContact O-CA 3.2Å; G318-G322 PolarHBondContact O-N 3.15Å
323	I	98.4	Very high	98.3	Very high	97 Å²	97	62.3 Å²	62.3	50%	0.497	32%	0.32	S	S	.	.			trans	-108.8	122.9	176.7	-60.7	173.8	0	0	0	107.5	Y314	Y314-I323 HydrophobicContact CE1-CD1 3.97Å; Y314-I323 WeakPolarHBondContact OH-CG2 3.15Å
324	P	97.8	Very high	98.2	Very high	13 Å²	13	63.1 Å²	63.1	8%	0.084	32%	0.324	C	S	.	.			trans	-58	137.1	175.7	-25.1	34.2	0	0	0	112.1	F198 Y201 F262	F198-P324 HydrophobicContact CD2-CB 3.72Å; F198-P324 HydrophobicContact CD2-CG 3.77Å; F198-P324 HydrophobicContact CE2-CB 3.77Å; F198-P324 HydrophobicContact CE2-CG 4.11Å; Y201-P324 HydrophobicContact CD1-CG 3.7Å; Y201-P324 HydrophobicContact CD2-CG 4.45Å; Y201-P324 HydrophobicContact CE1-CG 4.09Å; Y201-P324 HydrophobicContact CG-CG 3.91Å; F262-P324 HydrophobicContact CD2-CB 4.27Å; F262-P324 HydrophobicContact CD2-CG 4.2Å; F262-P324 HydrophobicContact CE1-CG 4.3Å; F262-P324 HydrophobicContact CE2-CB 4.29Å; F262-P324 HydrophobicContact CE2-CG 3.84Å; F262-P324 HydrophobicContact CZ-CG 3.89Å
325	S	97.2	Very high	98.1	Very high	70 Å²	70	62.9 Å²	62.9	49%	0.49	33%	0.325	S	S	.	.			trans	-65.1	142.9	174.3	-56.6	0	0	0	0	111.4	T327	S325-T327 VanDerWaalsContact C-N 3.26Å; S325-T327 WeakPolarHBondContact CB-O 3.2Å; S325-T327 PolarHBondContact O-N 3.1Å
326	E	97.2	Very high	98	Very high	179 Å²	179	60.1 Å²	60.1	84%	0.836	32%	0.322	S	S	*	.	S	Bend	trans	-61.6	-36.4	175.5	-65	-179.9	-179.7	0	0	112.3	S346	E326-S346 WeakPolarHBondContact O-CA 3.5Å
327	T	98.6	Very high	97.9	Very high	80 Å²	80	67.1 Å²	67.1	49%	0.491	35%	0.35	S	S	.	.	S	Bend	trans	-135	156.1	173.2	61.7	0	0	0	0	110.7	S325 V345	S325-T327 VanDerWaalsContact C-N 3.26Å; S325-T327 WeakPolarHBondContact CB-O 3.2Å; S325-T327 PolarHBondContact O-N 3.1Å; T327-V345 CarbonylContact C-O 3.56Å; T327-V345 VanDerWaalsContact CA-O 3.25Å; T327-V345 WeakPolarHBondContact CA-O 3.19Å
328	F	98.5	Very high	97.8	Very high	16 Å²	16	71.2 Å²	71.2	7%	0.07	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	161	175.7	62.9	-86.8	0	0	0	111.4	M257 P258 C261 W330 P344 V345 F350	M257-F328 HydrophobicContact CB-CD1 4.34Å; M257-F328 HydrophobicContact CB-CE1 3.67Å; M257-F328 HydrophobicContact CB-CE2 4.47Å; M257-F328 HydrophobicContact CB-CZ 3.74Å; M257-F328 HydrophobicContact CE-CB 4.4Å; M257-F328 HydrophobicContact CE-CD1 3.49Å; M257-F328 VanDerWaalsContact CE-CD1 3.49Å; M257-F328 HydrophobicContact CE-CE1 3.88Å; M257-F328 HydrophobicContact CE-CG 3.99Å; P258-F328 VanDerWaalsContact CD-CE2 3.49Å; P258-F328 HydrophobicContact CG-CE2 4.24Å; C261-F328 HydrophobicContact CB-CB 4.27Å; C261-F328 HydrophobicContact CB-CD2 4.06Å; C261-F328 HydrophobicContact CB-CG 4.17Å; C261-F328 VanDerWaalsContact SG-CD2 3.59Å; F328-W330 HydrophobicContact CD2-CB 4.24Å; F328-W330 HydrophobicContact CE2-CB 4.23Å; F328-P344 WeakPolarHBondContact O-CA 3.36Å; F328-V345 HydrophobicContact CD2-CG1 4.47Å; F328-V345 HydrophobicContact CE1-CG1 4.29Å; F328-V345 HydrophobicContact CE2-CG1 4.02Å; F328-V345 HydrophobicContact CZ-CG1 3.93Å; F328-V345 PolarHBondContact N-O 3.29Å; F328-V345 PolarHBondContact O-N 3.04Å; F328-F350 HydrophobicContact CE1-CB 4.38Å; F328-F350 HydrophobicContact CE2-CD2 4.2Å; F328-F350 HydrophobicContact CE2-CG 4.41Å; F328-F350 HydrophobicContact CZ-CB 3.77Å; F328-F350 HydrophobicContact CZ-CD1 4.22Å; F328-F350 AromaticContact CZ-CD2 3.96Å; F328-F350 HydrophobicContact CZ-CD2 3.96Å; F328-F350 AromaticContact CZ-CG 3.73Å; F328-F350 HydrophobicContact CZ-CG 3.73Å
329	T	98.6	Very high	97.8	Very high	70 Å²	70	76.3 Å²	76.3	43%	0.429	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	125.1	165.3	-60.6	0	0	0	0	108.1	E331 S341 I342	T329-E331 HydrophobicContact CG2-CG 4.22Å; T329-S341 WeakPolarHBondContact CG2-OG 3.38Å; T329-I342 CarbonylContact C-O 3.5Å; T329-I342 WeakPolarHBondContact CA-O 3.5Å
330	W	98.4	Very high	97.7	Very high	11 Å²	11	73.4 Å²	73.4	4%	0.042	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	113.1	176.1	176.3	46.7	0	0	0	110.3	F183 L189 F192 P258 F328 Y332 S341 I342 F350	F183-W330 HydrophobicContact CE1-CH2 4.07Å; F183-W330 HydrophobicContact CE1-CZ3 4.08Å; F183-W330 HydrophobicContact CZ-CH2 4.39Å; F183-W330 AromaticContact CZ-CZ3 3.93Å; F183-W330 HydrophobicContact CZ-CZ3 3.93Å; L189-W330 HydrophobicContact CD1-CH2 3.77Å; L189-W330 HydrophobicContact CD1-CZ2 4.45Å; L189-W330 HydrophobicContact CD2-CH2 4.11Å; F192-W330 AromaticContact CD2-CH2 3.82Å; F192-W330 HydrophobicContact CD2-CH2 3.82Å; F192-W330 AromaticContact CD2-CZ2 3.66Å; F192-W330 HydrophobicContact CD2-CZ2 3.66Å; F192-W330 AromaticContact CE2-CH2 3.59Å; F192-W330 HydrophobicContact CE2-CH2 3.59Å; F192-W330 AromaticContact CE2-CZ2 3.54Å; F192-W330 HydrophobicContact CE2-CZ2 3.54Å; F192-W330 HydrophobicContact CE2-CZ3 4.16Å; P258-W330 HydrophobicContact CB-CD2 4.13Å; P258-W330 HydrophobicContact CB-CG 4.02Å; P258-W330 HydrophobicContact CG-CB 3.98Å; P258-W330 HydrophobicContact CG-CD2 3.58Å; P258-W330 HydrophobicContact CG-CE3 3.92Å; P258-W330 HydrophobicContact CG-CG 3.59Å; F328-W330 HydrophobicContact CD2-CB 4.24Å; F328-W330 HydrophobicContact CE2-CB 4.23Å; W330-Y332 AromaticContact CD2-CD1 3.71Å; W330-Y332 HydrophobicContact CD2-CD1 3.71Å; W330-Y332 HydrophobicContact CD2-CE1 4.25Å; W330-Y332 HydrophobicContact CD2-CG 4.49Å; W330-Y332 AromaticContact CE2-CD1 3.62Å; W330-Y332 AromaticContact CE2-CG 3.95Å; W330-Y332 AromaticContact CE3-CD1 3.67Å; W330-Y332 HydrophobicContact CE3-CD1 3.67Å; W330-Y332 AromaticContact CE3-CE1 3.72Å; W330-Y332 HydrophobicContact CE3-CE1 3.72Å; W330-Y332 AromaticContact CH2-CD1 3.45Å; W330-Y332 HydrophobicContact CH2-CD1 3.45Å; W330-Y332 VanDerWaalsContact CH2-CD1 3.45Å; W330-Y332 HydrophobicContact CH2-CD2 4.13Å; W330-Y332 AromaticContact CH2-CE1 3.57Å; W330-Y332 HydrophobicContact CH2-CE1 3.57Å; W330-Y332 HydrophobicContact CH2-CE2 4.26Å; W330-Y332 AromaticContact CH2-CG 3.74Å; W330-Y332 HydrophobicContact CH2-CG 3.74Å; W330-Y332 AromaticContact CH2-CZ 3.97Å; W330-Y332 AromaticContact CZ2-CD1 3.5Å; W330-Y332 HydrophobicContact CZ2-CD1 3.5Å; W330-Y332 HydrophobicContact CZ2-CD2 4.22Å; W330-Y332 HydrophobicContact CZ2-CE1 4.13Å; W330-Y332 AromaticContact CZ2-CG 3.55Å; W330-Y332 HydrophobicContact CZ2-CG 3.55Å; W330-Y332 AromaticContact CZ3-CD1 3.54Å; W330-Y332 HydrophobicContact CZ3-CD1 3.54Å; W330-Y332 AromaticContact CZ3-CE1 3.34Å; W330-Y332 HydrophobicContact CZ3-CE1 3.34Å; W330-Y332 HydrophobicContact CZ3-CG 4.31Å; W330-Y332 AromaticContact CZ3-CZ 3.99Å; W330-S341 WeakPolarHBondContact O-CA 3.43Å; W330-I342 HydrophobicContact CE3-CB 4.49Å; W330-I342 HydrophobicContact CE3-CD1 3.93Å; W330-I342 HydrophobicContact CZ3-CD1 3.95Å; W330-I342 PolarHBondContact N-O 2.98Å; W330-I342 PolarHBondContact O-N 3.46Å; W330-F350 HydrophobicContact CE3-CE2 4.24Å; W330-F350 HydrophobicContact CE3-CZ 4.4Å
331	E	98.1	Very high	97.7	Very high	119 Å²	119	74.7 Å²	74.7	56%	0.556	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.4	135.7	176.3	-58.5	173.1	118.7	0	0	109.8	T329 Y339 Q340	T329-E331 HydrophobicContact CG2-CG 4.22Å; E331-Y339 HydrophobicContact CB-CE2 4.02Å; E331-Y339 HydrophobicContact CG-CE2 4.27Å; E331-Y339 WeakPolarHBondContact CG-OH 3.34Å; E331-Y339 PolarHBondContact OE1-OH 3.21Å; E331-Q340 WeakPolarHBondContact CA-O 3.31Å
332	Y	97.6	Very high	97.7	Very high	23 Å²	23	74.8 Å²	74.8	9%	0.09	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	167.4	-179.9	68.7	-83.5	0	0	0	112.2	L189 W330 D334 Q340 I342	L189-Y332 HydrophobicContact CD2-CD2 3.34Å; L189-Y332 HydrophobicContact CD2-CE2 3.27Å; L189-Y332 HydrophobicContact CD2-CG 4.31Å; W330-Y332 AromaticContact CD2-CD1 3.71Å; W330-Y332 HydrophobicContact CD2-CD1 3.71Å; W330-Y332 HydrophobicContact CD2-CE1 4.25Å; W330-Y332 HydrophobicContact CD2-CG 4.49Å; W330-Y332 AromaticContact CE2-CD1 3.62Å; W330-Y332 AromaticContact CE2-CG 3.95Å; W330-Y332 AromaticContact CE3-CD1 3.67Å; W330-Y332 HydrophobicContact CE3-CD1 3.67Å; W330-Y332 AromaticContact CE3-CE1 3.72Å; W330-Y332 HydrophobicContact CE3-CE1 3.72Å; W330-Y332 AromaticContact CH2-CD1 3.45Å; W330-Y332 HydrophobicContact CH2-CD1 3.45Å; W330-Y332 VanDerWaalsContact CH2-CD1 3.45Å; W330-Y332 HydrophobicContact CH2-CD2 4.13Å; W330-Y332 AromaticContact CH2-CE1 3.57Å; W330-Y332 HydrophobicContact CH2-CE1 3.57Å; W330-Y332 HydrophobicContact CH2-CE2 4.26Å; W330-Y332 AromaticContact CH2-CG 3.74Å; W330-Y332 HydrophobicContact CH2-CG 3.74Å; W330-Y332 AromaticContact CH2-CZ 3.97Å; W330-Y332 AromaticContact CZ2-CD1 3.5Å; W330-Y332 HydrophobicContact CZ2-CD1 3.5Å; W330-Y332 HydrophobicContact CZ2-CD2 4.22Å; W330-Y332 HydrophobicContact CZ2-CE1 4.13Å; W330-Y332 AromaticContact CZ2-CG 3.55Å; W330-Y332 HydrophobicContact CZ2-CG 3.55Å; W330-Y332 AromaticContact CZ3-CD1 3.54Å; W330-Y332 HydrophobicContact CZ3-CD1 3.54Å; W330-Y332 AromaticContact CZ3-CE1 3.34Å; W330-Y332 HydrophobicContact CZ3-CE1 3.34Å; W330-Y332 HydrophobicContact CZ3-CG 4.31Å; W330-Y332 AromaticContact CZ3-CZ 3.99Å; Y332-D334 HydrophobicContact CE2-CB 4.46Å; Y332-Q340 HydrophobicContact CD1-CB 3.87Å; Y332-Q340 HydrophobicContact CD2-CB 4.01Å; Y332-Q340 HydrophobicContact CD2-CG 4.3Å; Y332-Q340 HydrophobicContact CE1-CB 3.47Å; Y332-Q340 VanDerWaalsContact CE1-CB 3.47Å; Y332-Q340 HydrophobicContact CE1-CG 4.4Å; Y332-Q340 HydrophobicContact CE2-CB 3.61Å; Y332-Q340 HydrophobicContact CE2-CG 3.68Å; Y332-Q340 HydrophobicContact CG-CB 4.13Å; Y332-Q340 PolarHBondContact N-O 3.16Å; Y332-Q340 PolarHBondContact O-N 3.2Å; Y332-I342 HydrophobicContact CE1-CD1 4.12Å; Y332-I342 HydrophobicContact CE1-CG1 4.32Å
333	Y	97.4	Very high	97.5	Very high	161 Å²	161	75.1 Å²	75.1	63%	0.631	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.9	134	166.1	-67.4	-80	0	0	0	109	K337 N338 Y339	Y333-K337 WeakPolarHBondContact CD1-O 3.35Å; Y333-N338 VanDerWaalsContact CA-O 3.29Å; Y333-N338 WeakPolarHBondContact CA-O 3.45Å; Y333-Y339 HydrophobicContact CE1-CD2 4.46Å
334	D	97	Very high	97.5	Very high	19 Å²	19	75.7 Å²	75.7	10%	0.102	40%	0.395	C	S	.	.			trans	-73.5	175.2	170.3	67.8	19.3	0	0	0	111.4	N188 Y332 S336 K337 N338 Q340	N188-D334 HydrophobicContact CB-CB 4.35Å; N188-D334 CarbonylContact O-C 3.39Å; N188-D334 WeakPolarHBondContact O-CA 3.01Å; N188-D334 WeakPolarHBondContact O-CB 3.46Å; Y332-D334 HydrophobicContact CE2-CB 4.46Å; D334-S336 PolarHBondContact O-N 2.8Å; D334-S336 VanDerWaalsContact O-N 3.11Å; D334-S336 VanDerWaalsContact OD1-CA 3.23Å; D334-S336 WeakPolarHBondContact OD1-CA 3.44Å; D334-S336 VanDerWaalsContact OD1-CB 3.25Å; D334-S336 WeakPolarHBondContact OD1-CB 3.28Å; D334-S336 PolarHBondContact OD1-N 3.08Å; D334-K337 WeakPolarHBondContact O-CA 3.2Å; D334-K337 PolarHBondContact O-N 3.43Å; D334-K337 PolarHBondContact OD1-N 3.2Å; D334-N338 PolarHBondContact N-O 2.9Å; D334-N338 VanDerWaalsContact N-O 3.1Å; D334-N338 PolarHBondContact OD1-N 3.32Å; D334-N338 WeakPolarHBondContact OD2-CB 3.45Å; D334-N338 PolarHBondContact OD2-ND2 3.19Å; D334-Q340 HydrophobicContact CB-CG 4.4Å; D334-Q340 PolarHBondContact OD2-NE2 3.49Å
335	K	95	Very high	97.5	Very high	86 Å²	86	75.2 Å²	75.2	37%	0.374	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-24.5	176.7	-57.5	-167.8	-179.8	-174.4	0	113.2	N188 L189 D190 K337	N188-K335 WeakPolarHBondContact O-CG 3.34Å; N188-K335 PolarHBondContact O-N 3.31Å; N188-K335 WeakPolarHBondContact OD1-CB 3.49Å; N188-K335 WeakPolarHBondContact OD1-CD 3.45Å; N188-K335 WeakPolarHBondContact OD1-CG 3.31Å; L189-K335 WeakPolarHBondContact O-CE 3.42Å; D190-K335 HydrophobicContact CB-CG 4.36Å; D190-K335 WeakPolarHBondContact OD1-CD 3.18Å; D190-K335 WeakPolarHBondContact OD1-CE 3.47Å; D190-K335 VanDerWaalsContact OD1-CG 3.27Å; D190-K335 WeakPolarHBondContact OD1-CG 3.49Å; D190-K335 IonicContact OD1-NZ 3.62Å; K335-K337 PolarHBondContact O-N 2.96Å
336	S	96.9	Very high	97.6	Very high	76 Å²	76	73.2 Å²	73.2	53%	0.531	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	4.1	177.7	-58.3	0	0	0	0	112.6	N188 D334 N338	N188-S336 PolarHBondContact ND2-OG 3.23Å; D334-S336 PolarHBondContact O-N 2.8Å; D334-S336 VanDerWaalsContact O-N 3.11Å; D334-S336 VanDerWaalsContact OD1-CA 3.23Å; D334-S336 WeakPolarHBondContact OD1-CA 3.44Å; D334-S336 VanDerWaalsContact OD1-CB 3.25Å; D334-S336 WeakPolarHBondContact OD1-CB 3.28Å; D334-S336 PolarHBondContact OD1-N 3.08Å; S336-N338 WeakPolarHBondContact CB-ND2 3.16Å; S336-N338 PolarHBondContact O-N 3.32Å
337	K	96.4	Very high	97.7	Very high	178 Å²	178	65.5 Å²	65.5	77%	0.774	34%	0.344	S	S	*	.			trans	64.4	19.9	-177.8	-52.1	178.6	179.6	177.8	0	113.7	Y333 D334 K335	Y333-K337 WeakPolarHBondContact CD1-O 3.35Å; D334-K337 WeakPolarHBondContact O-CA 3.2Å; D334-K337 PolarHBondContact O-N 3.43Å; D334-K337 PolarHBondContact OD1-N 3.2Å; K335-K337 PolarHBondContact O-N 2.96Å
338	N	97.7	Very high	97.7	Very high	86 Å²	86	64.3 Å²	64.3	46%	0.46	33%	0.334	S	S	.	.			trans	-80.8	136.7	172.4	-55.1	-54.9	0	0	0	109.6	Y333 D334 S336	Y333-N338 VanDerWaalsContact CA-O 3.29Å; Y333-N338 WeakPolarHBondContact CA-O 3.45Å; D334-N338 PolarHBondContact N-O 2.9Å; D334-N338 VanDerWaalsContact N-O 3.1Å; D334-N338 PolarHBondContact OD1-N 3.32Å; D334-N338 WeakPolarHBondContact OD2-CB 3.45Å; D334-N338 PolarHBondContact OD2-ND2 3.19Å; S336-N338 WeakPolarHBondContact CB-ND2 3.16Å; S336-N338 PolarHBondContact O-N 3.32Å
339	Y	98.1	Very high	97.7	Very high	120 Å²	120	67.7 Å²	67.7	47%	0.471	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	134.4	172	171.2	-94.3	0	0	0	110.3	E331 Y333	E331-Y339 HydrophobicContact CB-CE2 4.02Å; E331-Y339 HydrophobicContact CG-CE2 4.27Å; E331-Y339 WeakPolarHBondContact CG-OH 3.34Å; E331-Y339 PolarHBondContact OE1-OH 3.21Å; Y333-Y339 HydrophobicContact CE1-CD2 4.46Å
340	Q	98.1	Very high	97.7	Very high	71 Å²	71	64.3 Å²	64.3	33%	0.332	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	151.5	177.8	-58.3	-63.7	-12.5	0	0	109.4	E331 Y332 D334	E331-Q340 WeakPolarHBondContact CA-O 3.31Å; Y332-Q340 HydrophobicContact CD1-CB 3.87Å; Y332-Q340 HydrophobicContact CD2-CB 4.01Å; Y332-Q340 HydrophobicContact CD2-CG 4.3Å; Y332-Q340 HydrophobicContact CE1-CB 3.47Å; Y332-Q340 VanDerWaalsContact CE1-CB 3.47Å; Y332-Q340 HydrophobicContact CE1-CG 4.4Å; Y332-Q340 HydrophobicContact CE2-CB 3.61Å; Y332-Q340 HydrophobicContact CE2-CG 3.68Å; Y332-Q340 HydrophobicContact CG-CB 4.13Å; Y332-Q340 PolarHBondContact N-O 3.16Å; Y332-Q340 PolarHBondContact O-N 3.2Å; D334-Q340 HydrophobicContact CB-CG 4.4Å; D334-Q340 PolarHBondContact OD2-NE2 3.49Å
341	S	97.9	Very high	97.7	Very high	55 Å²	55	64 Å²	64	39%	0.385	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	131.3	176.9	-168.7	0	0	0	0	110.3	T329 W330	T329-S341 WeakPolarHBondContact CG2-OG 3.38Å; W330-S341 WeakPolarHBondContact O-CA 3.43Å
342	I	97.7	Very high	97.7	Very high	10 Å²	10	63 Å²	63	5%	0.051	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	107.4	173.4	-63.2	175.4	0	0	0	107.6	T329 W330 Y332 V345 F350 Y354	T329-I342 CarbonylContact C-O 3.5Å; T329-I342 WeakPolarHBondContact CA-O 3.5Å; W330-I342 HydrophobicContact CE3-CB 4.49Å; W330-I342 HydrophobicContact CE3-CD1 3.93Å; W330-I342 HydrophobicContact CZ3-CD1 3.95Å; W330-I342 PolarHBondContact N-O 2.98Å; W330-I342 PolarHBondContact O-N 3.46Å; Y332-I342 HydrophobicContact CE1-CD1 4.12Å; Y332-I342 HydrophobicContact CE1-CG1 4.32Å; I342-V345 HydrophobicContact CG2-CG1 4.21Å; I342-F350 HydrophobicContact CD1-CE2 4.39Å; I342-F350 HydrophobicContact CG2-CD2 4.06Å; I342-F350 HydrophobicContact CG2-CE2 4.17Å; I342-Y354 HydrophobicContact CD1-CD1 3.76Å; I342-Y354 HydrophobicContact CD1-CE1 3.81Å; I342-Y354 HydrophobicContact CD1-CG 4.47Å; I342-Y354 HydrophobicContact CG1-CE1 4.08Å; I342-Y354 HydrophobicContact CG2-CD1 4.43Å; I342-Y354 HydrophobicContact CG2-CD2 4.29Å; I342-Y354 HydrophobicContact CG2-CE1 3.95Å; I342-Y354 HydrophobicContact CG2-CE2 3.78Å
343	G	95.7	Very high	97.8	Very high	37 Å²	37	69.1 Å²	69.1	38%	0.381	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	152.1	175.4	172.2	0	0	0	0	0	113.5
344	P	97.5	Very high	97.8	Very high	110 Å²	110	63.4 Å²	63.4	71%	0.714	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	cis	-68.2	139.8	-1.6	29.4	-35.1	0	0	0	111.9	F328	F328-P344 WeakPolarHBondContact O-CA 3.36Å
345	V	98.5	Very high	97.9	Very high	3 Å²	3	62.6 Å²	62.6	2%	0.018	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	148.1	-179.9	68.6	0	0	0	0	109.8	T327 F328 I342 E349 F350	T327-V345 CarbonylContact C-O 3.56Å; T327-V345 VanDerWaalsContact CA-O 3.25Å; T327-V345 WeakPolarHBondContact CA-O 3.19Å; F328-V345 HydrophobicContact CD2-CG1 4.47Å; F328-V345 HydrophobicContact CE1-CG1 4.29Å; F328-V345 HydrophobicContact CE2-CG1 4.02Å; F328-V345 HydrophobicContact CZ-CG1 3.93Å; F328-V345 PolarHBondContact N-O 3.29Å; F328-V345 PolarHBondContact O-N 3.04Å; I342-V345 HydrophobicContact CG2-CG1 4.21Å; V345-E349 HydrophobicContact CG2-CB 3.41Å; V345-E349 VanDerWaalsContact CG2-CB 3.41Å; V345-F350 HydrophobicContact CG1-CB 4.19Å; V345-F350 HydrophobicContact CG1-CD2 4.33Å; V345-F350 HydrophobicContact CG2-CB 4.39Å
346	S	98.7	Very high	98	Very high	28 Å²	28	61.6 Å²	61.6	20%	0.196	32%	0.316	C	S	.	.			trans	-77.1	162.4	168.6	65.5	0	0	0	0	111.7	E326 L348 E349 F350	E326-S346 WeakPolarHBondContact O-CA 3.5Å; S346-L348 VanDerWaalsContact C-N 3.28Å; S346-L348 PolarHBondContact O-N 3.06Å; S346-E349 WeakPolarHBondContact CB-OE2 3.34Å; S346-E349 PolarHBondContact N-OE2 2.96Å; S346-E349 PolarHBondContact O-N 2.88Å; S346-E349 WeakPolarHBondContact OG-CB 3.36Å; S346-E349 VanDerWaalsContact OG-CD 3.28Å; S346-E349 WeakPolarHBondContact OG-CG 3.32Å; S346-E349 PolarHBondContact OG-N 3.43Å; S346-E349 PolarHBondContact OG-OE2 3.02Å; S346-F350 WeakPolarHBondContact O-CB 3.4Å; S346-F350 PolarHBondContact O-N 2.92Å
347	S	98.7	Very high	98.1	Very high	17 Å²	17	62.1 Å²	62.1	12%	0.119	32%	0.317	C	S	.	.	H	α-helix	trans	-63.1	-33.9	176.1	51.2	0	0	0	0	113.1	F198 H254 G255 L256 Y351	F198-S347 VanDerWaalsContact CZ-CB 3.5Å; F198-S347 WeakPolarHBondContact CZ-OG 3.31Å; H254-S347 VanDerWaalsContact O-CB 3.24Å; H254-S347 WeakPolarHBondContact O-CB 3.29Å; H254-S347 PolarHBondContact O-OG 2.86Å; G255-S347 WeakPolarHBondContact CA-O 3.11Å; L256-S347 PolarHBondContact N-O 2.79Å; L256-S347 CarbonylContact O-C 3.51Å; L256-S347 VanDerWaalsContact O-CA 3.31Å; L256-S347 WeakPolarHBondContact O-CA 3.19Å; L256-S347 WeakPolarHBondContact O-CB 3.36Å; S347-Y351 PolarHBondContact O-N 3.22Å; S347-Y351 VanDerWaalsContact O-N 3.1Å
348	L	98.6	Very high	98.1	Very high	55 Å²	55	57.1 Å²	57.1	29%	0.288	30%	0.296	S	S	.	.	H	α-helix	trans	-68.2	-50.9	176.1	-175.3	60.8	0	0	0	111.3	T252 S346 F350 Y351 E352	T252-L348 WeakPolarHBondContact O-CD1 3.43Å; S346-L348 VanDerWaalsContact C-N 3.28Å; S346-L348 PolarHBondContact O-N 3.06Å; L348-F350 PolarHBondContact O-N 2.96Å; L348-Y351 WeakPolarHBondContact O-CB 3.45Å; L348-Y351 PolarHBondContact O-N 3.42Å; L348-Y351 VanDerWaalsContact O-N 3.14Å; L348-E352 HydrophobicContact CD1-CG 4.37Å; L348-E352 HydrophobicContact CG-CG 4.48Å; L348-E352 WeakPolarHBondContact O-CG 3.48Å; L348-E352 PolarHBondContact O-N 2.84Å
349	E	98.6	Very high	98.1	Very high	86 Å²	86	53.6 Å²	53.6	40%	0.402	28%	0.277	S	S	.	.	H	α-helix	trans	-60.8	-35.2	175.9	-71.1	167.5	136.3	0	0	111.9	V345 S346 E352 R353	V345-E349 HydrophobicContact CG2-CB 3.41Å; V345-E349 VanDerWaalsContact CG2-CB 3.41Å; S346-E349 WeakPolarHBondContact CB-OE2 3.34Å; S346-E349 PolarHBondContact N-OE2 2.96Å; S346-E349 PolarHBondContact O-N 2.88Å; S346-E349 WeakPolarHBondContact OG-CB 3.36Å; S346-E349 VanDerWaalsContact OG-CD 3.28Å; S346-E349 WeakPolarHBondContact OG-CG 3.32Å; S346-E349 PolarHBondContact OG-N 3.43Å; S346-E349 PolarHBondContact OG-OE2 3.02Å; E349-E352 PolarHBondContact O-N 3.01Å; E349-R353 VanDerWaalsContact O-CB 3.26Å; E349-R353 WeakPolarHBondContact O-CB 3.32Å; E349-R353 WeakPolarHBondContact O-CG 3.49Å; E349-R353 PolarHBondContact O-N 3.04Å
350	F	98.8	Very high	98.1	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.1	-46.6	175.4	-178.5	-101.7	0	0	0	111.4	F183 F194 L256 P258 F328 W330 I342 V345 S346 L348 Y354 V355	F183-F350 HydrophobicContact CE2-CZ 4.07Å; F183-F350 HydrophobicContact CZ-CE2 4.39Å; F183-F350 AromaticContact CZ-CZ 3.71Å; F183-F350 HydrophobicContact CZ-CZ 3.71Å; F194-F350 HydrophobicContact CD1-CE1 4.32Å; F194-F350 AromaticContact CE1-CE1 3.84Å; F194-F350 HydrophobicContact CE1-CE1 3.84Å; L256-F350 HydrophobicContact CB-CD1 4.44Å; L256-F350 VanDerWaalsContact O-CD1 3.24Å; L256-F350 WeakPolarHBondContact O-CD1 3.43Å; P258-F350 HydrophobicContact CG-CE1 4.17Å; P258-F350 HydrophobicContact CG-CE2 4.33Å; P258-F350 HydrophobicContact CG-CZ 3.76Å; F328-F350 HydrophobicContact CE1-CB 4.38Å; F328-F350 HydrophobicContact CE2-CD2 4.2Å; F328-F350 HydrophobicContact CE2-CG 4.41Å; F328-F350 HydrophobicContact CZ-CB 3.77Å; F328-F350 HydrophobicContact CZ-CD1 4.22Å; F328-F350 AromaticContact CZ-CD2 3.96Å; F328-F350 HydrophobicContact CZ-CD2 3.96Å; F328-F350 AromaticContact CZ-CG 3.73Å; F328-F350 HydrophobicContact CZ-CG 3.73Å; W330-F350 HydrophobicContact CE3-CE2 4.24Å; W330-F350 HydrophobicContact CE3-CZ 4.4Å; I342-F350 HydrophobicContact CD1-CE2 4.39Å; I342-F350 HydrophobicContact CG2-CD2 4.06Å; I342-F350 HydrophobicContact CG2-CE2 4.17Å; V345-F350 HydrophobicContact CG1-CB 4.19Å; V345-F350 HydrophobicContact CG1-CD2 4.33Å; V345-F350 HydrophobicContact CG2-CB 4.39Å; S346-F350 WeakPolarHBondContact O-CB 3.4Å; S346-F350 PolarHBondContact O-N 2.92Å; L348-F350 PolarHBondContact O-N 2.96Å; F350-Y354 AromaticContact CD2-CD2 3.97Å; F350-Y354 HydrophobicContact CD2-CD2 3.97Å; F350-Y354 HydrophobicContact CD2-CG 4.32Å; F350-Y354 HydrophobicContact CE2-CG 4.46Å; F350-Y354 WeakPolarHBondContact O-CB 3.47Å; F350-Y354 PolarHBondContact O-N 3.41Å; F350-V355 HydrophobicContact CD1-CG2 4.37Å; F350-V355 HydrophobicContact CE1-CG2 4.19Å
351	Y	98.7	Very high	98.1	Very high	3 Å²	3	45.8 Å²	45.8	1%	0.012	25%	0.245	C	C	.	.	I	π-helix	trans	-60.1	-53.4	173.3	165	-111.9	0	0	0	111.3	I251 L256 S347 L348 R353 V355 K356 N360 V361	I251-Y351 HydrophobicContact CG2-CD1 4.05Å; I251-Y351 HydrophobicContact CG2-CD2 3.59Å; I251-Y351 HydrophobicContact CG2-CE1 3.95Å; I251-Y351 HydrophobicContact CG2-CE2 3.51Å; I251-Y351 HydrophobicContact CG2-CG 3.89Å; L256-Y351 HydrophobicContact CD1-CD2 4.07Å; L256-Y351 HydrophobicContact CG-CD2 4.43Å; S347-Y351 PolarHBondContact O-N 3.22Å; S347-Y351 VanDerWaalsContact O-N 3.1Å; L348-Y351 WeakPolarHBondContact O-CB 3.45Å; L348-Y351 PolarHBondContact O-N 3.42Å; L348-Y351 VanDerWaalsContact O-N 3.14Å; Y351-R353 PolarHBondContact O-N 3.39Å; Y351-V355 HydrophobicContact CD2-CB 3.86Å; Y351-V355 HydrophobicContact CD2-CG1 4.07Å; Y351-V355 HydrophobicContact CE2-CB 4.49Å; Y351-V355 HydrophobicContact CE2-CG1 4.39Å; Y351-V355 CarbonylContact O-C 3.45Å; Y351-V355 WeakPolarHBondContact O-CA 3.27Å; Y351-V355 WeakPolarHBondContact O-CB 3.32Å; Y351-V355 PolarHBondContact O-N 2.88Å; Y351-K356 HydrophobicContact CD2-CB 4.43Å; Y351-K356 HydrophobicContact CE1-CB 4.22Å; Y351-K356 HydrophobicContact CE1-CD 3.95Å; Y351-K356 HydrophobicContact CE1-CG 4.32Å; Y351-K356 HydrophobicContact CE2-CB 3.91Å; Y351-K356 HydrophobicContact CE2-CG 4.4Å; Y351-K356 WeakPolarHBondContact O-CB 3.21Å; Y351-K356 PolarHBondContact O-N 2.85Å; Y351-N360 PolarHBondContact OH-OD1 3.39Å; Y351-V361 HydrophobicContact CE2-CG2 4.46Å; Y351-V361 WeakPolarHBondContact OH-CG2 3.38Å
352	E	98.6	Very high	98.1	Very high	99 Å²	99	47 Å²	47	46%	0.463	25%	0.245	S	C	.	.	I	π-helix	trans	-62.3	-40.2	-174.1	-70.6	179.4	156.4	0	0	113.3	L348 E349 P357	L348-E352 HydrophobicContact CD1-CG 4.37Å; L348-E352 HydrophobicContact CG-CG 4.48Å; L348-E352 WeakPolarHBondContact O-CG 3.48Å; L348-E352 PolarHBondContact O-N 2.84Å; E349-E352 PolarHBondContact O-N 3.01Å; E352-P357 WeakPolarHBondContact O-CD 3.36Å
353	R	98.3	Very high	98.2	Very high	151 Å²	151	49.8 Å²	49.8	57%	0.57	26%	0.26	S	S	*	.	I	π-helix	trans	-89.9	-34.2	-174.6	-65.6	174.5	60.5	-171.8	-2.9	113.8	E349 Y351	E349-R353 VanDerWaalsContact O-CB 3.26Å; E349-R353 WeakPolarHBondContact O-CB 3.32Å; E349-R353 WeakPolarHBondContact O-CG 3.49Å; E349-R353 PolarHBondContact O-N 3.04Å; Y351-R353 PolarHBondContact O-N 3.39Å
354	Y	98.4	Very high	98.3	Very high	42 Å²	42	48.6 Å²	48.6	17%	0.165	24%	0.244	C	C	.	.	I	π-helix	trans	-115.2	-16.2	-168.9	-57.2	-94.5	0	0	0	113.8	F183 Y187 I342 F350	F183-Y354 WeakPolarHBondContact CD2-O 3.39Å; F183-Y354 WeakPolarHBondContact CE2-O 3.26Å; Y187-Y354 AromaticContact CE1-CD1 3.87Å; Y187-Y354 HydrophobicContact CE1-CD1 3.87Å; Y187-Y354 VanDerWaalsContact CE2-O 3.27Å; Y187-Y354 WeakPolarHBondContact CE2-O 3.47Å; Y187-Y354 AromaticContact CZ-CD1 3.79Å; Y187-Y354 VanDerWaalsContact OH-CA 3.29Å; Y187-Y354 WeakPolarHBondContact OH-CA 3.42Å; Y187-Y354 WeakPolarHBondContact OH-CB 3.35Å; Y187-Y354 VanDerWaalsContact OH-CD1 3.29Å; Y187-Y354 WeakPolarHBondContact OH-CD1 3.34Å; Y187-Y354 PolarHBondContact OH-O 2.9Å; I342-Y354 HydrophobicContact CD1-CD1 3.76Å; I342-Y354 HydrophobicContact CD1-CE1 3.81Å; I342-Y354 HydrophobicContact CD1-CG 4.47Å; I342-Y354 HydrophobicContact CG1-CE1 4.08Å; I342-Y354 HydrophobicContact CG2-CD1 4.43Å; I342-Y354 HydrophobicContact CG2-CD2 4.29Å; I342-Y354 HydrophobicContact CG2-CE1 3.95Å; I342-Y354 HydrophobicContact CG2-CE2 3.78Å; F350-Y354 AromaticContact CD2-CD2 3.97Å; F350-Y354 HydrophobicContact CD2-CD2 3.97Å; F350-Y354 HydrophobicContact CD2-CG 4.32Å; F350-Y354 HydrophobicContact CE2-CG 4.46Å; F350-Y354 WeakPolarHBondContact O-CB 3.47Å; F350-Y354 PolarHBondContact O-N 3.41Å
355	V	98.7	Very high	98.3	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.012	21%	0.213	C	C	.	.	I	π-helix	trans	-115.2	-55.1	-177.7	-174.7	0	0	0	0	111.9	I179 F183 F194 L256 F350 Y351 P357 H358 F359	I179-V355 HydrophobicContact CG2-CG1 3.36Å; F183-V355 HydrophobicContact CD2-CG2 3.98Å; F183-V355 HydrophobicContact CE2-CG2 4.05Å; F194-V355 HydrophobicContact CE1-CG2 3.72Å; F194-V355 HydrophobicContact CZ-CG1 4.21Å; F194-V355 HydrophobicContact CZ-CG2 3.8Å; L256-V355 HydrophobicContact CD1-CG1 4Å; L256-V355 HydrophobicContact CD1-CG2 4.35Å; F350-V355 HydrophobicContact CD1-CG2 4.37Å; F350-V355 HydrophobicContact CE1-CG2 4.19Å; Y351-V355 HydrophobicContact CD2-CB 3.86Å; Y351-V355 HydrophobicContact CD2-CG1 4.07Å; Y351-V355 HydrophobicContact CE2-CB 4.49Å; Y351-V355 HydrophobicContact CE2-CG1 4.39Å; Y351-V355 CarbonylContact O-C 3.45Å; Y351-V355 WeakPolarHBondContact O-CA 3.27Å; Y351-V355 WeakPolarHBondContact O-CB 3.32Å; Y351-V355 PolarHBondContact O-N 2.88Å; V355-P357 VanDerWaalsContact C-N 3.3Å; V355-P357 VanDerWaalsContact O-N 3.16Å; V355-H358 PolarHBondContact O-N 3.19Å; V355-F359 PolarHBondContact O-N 2.68Å
356	K	98.5	Very high	98.3	Very high	65 Å²	65	43.7 Å²	43.7	28%	0.283	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-38.8	-176	-167.9	174.2	-170.4	171.6	0	114	Y351 H358 F359 N360 E362	Y351-K356 HydrophobicContact CD2-CB 4.43Å; Y351-K356 HydrophobicContact CE1-CB 4.22Å; Y351-K356 HydrophobicContact CE1-CD 3.95Å; Y351-K356 HydrophobicContact CE1-CG 4.32Å; Y351-K356 HydrophobicContact CE2-CB 3.91Å; Y351-K356 HydrophobicContact CE2-CG 4.4Å; Y351-K356 WeakPolarHBondContact O-CB 3.21Å; Y351-K356 PolarHBondContact O-N 2.85Å; K356-H358 PolarHBondContact O-N 3.24Å; K356-F359 CarbonylContact O-C 3.34Å; K356-N360 VanDerWaalsContact CE-OD1 3.32Å; K356-N360 WeakPolarHBondContact CE-OD1 3.5Å; K356-N360 HydrophobicContact CG-CB 4.07Å; K356-N360 PolarHBondContact O-N 2.93Å; K356-E362 VanDerWaalsContact CE-OE2 3.31Å; K356-E362 WeakPolarHBondContact CE-OE2 3.35Å; K356-E362 IonicContact NZ-OE2 3.89Å; K356-E362 PolarHBondContact NZ-OE2 3.14Å
357	P	98.2	Very high	98.3	Very high	86 Å²	86	42.4 Å²	42.4	56%	0.558	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-20.7	177.1	-24.7	36.5	0	0	0	114.6	E352 V355	E352-P357 WeakPolarHBondContact O-CD 3.36Å; V355-P357 VanDerWaalsContact C-N 3.3Å; V355-P357 VanDerWaalsContact O-N 3.16Å
358	H	96.5	Very high	98.3	Very high	73 Å²	73	41.7 Å²	41.7	34%	0.338	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-26	-177.7	-54.7	-53.7	0	0	0	112.8	P182 N186 V355 K356	P182-H358 HydrophobicContact CB-CB 4.26Å; N186-H358 VanDerWaalsContact CG-CE1 3.4Å; N186-H358 VanDerWaalsContact ND2-CG 3.32Å; N186-H358 PolarHBondContact ND2-ND1 2.95Å; N186-H358 PolarHBondContact OD1-CE1 3.39Å; V355-H358 PolarHBondContact O-N 3.19Å; K356-H358 PolarHBondContact O-N 3.24Å
359	F	98.1	Very high	98.3	Very high	12 Å²	12	39.2 Å²	39.2	5%	0.053	19%	0.185	C	C	.	.			trans	-149.3	97.4	174.6	-165.5	-74.7	0	0	0	109.3	C178 I179 P182 W244 V355 K356 V361 K364	C178-F359 HydrophobicContact CB-CE2 4.14Å; C178-F359 HydrophobicContact CB-CZ 4.19Å; I179-F359 HydrophobicContact CB-CD1 4.36Å; I179-F359 HydrophobicContact CB-CG 4.4Å; I179-F359 HydrophobicContact CD1-CD1 4.48Å; I179-F359 HydrophobicContact CD1-CE1 4.38Å; I179-F359 HydrophobicContact CG1-CD1 3.52Å; I179-F359 HydrophobicContact CG1-CD2 4.49Å; I179-F359 HydrophobicContact CG1-CE1 3.54Å; I179-F359 HydrophobicContact CG1-CG 4.02Å; I179-F359 HydrophobicContact CG1-CZ 4.05Å; I179-F359 HydrophobicContact CG2-CB 4.3Å; I179-F359 HydrophobicContact CG2-CD1 4.43Å; I179-F359 HydrophobicContact CG2-CG 4.4Å; P182-F359 HydrophobicContact CG-CB 4.07Å; P182-F359 HydrophobicContact CG-CD2 4.07Å; W244-F359 HydrophobicContact CH2-CE1 4.15Å; W244-F359 HydrophobicContact CH2-CZ 4.3Å; V355-F359 PolarHBondContact O-N 2.68Å; K356-F359 CarbonylContact O-C 3.34Å; F359-V361 HydrophobicContact CD1-CG1 4.03Å; F359-V361 HydrophobicContact CE1-CG1 3.83Å; F359-K364 HydrophobicContact CE1-CG 4.13Å; F359-K364 HydrophobicContact CZ-CD 4.3Å; F359-K364 HydrophobicContact CZ-CG 4.2Å
360	N	98.3	Very high	98.3	Very high	27 Å²	27	35.2 Å²	35.2	14%	0.144	17%	0.167	C	C	.	.			trans	-90.1	116.4	172.7	-177.7	12.1	0	0	0	109.7	Y351 K356 E362 D363	Y351-N360 PolarHBondContact OH-OD1 3.39Å; K356-N360 VanDerWaalsContact CE-OD1 3.32Å; K356-N360 WeakPolarHBondContact CE-OD1 3.5Å; K356-N360 HydrophobicContact CG-CB 4.07Å; K356-N360 PolarHBondContact O-N 2.93Å; N360-E362 PolarHBondContact O-N 3.46Å; N360-E362 WeakPolarHBondContact OD1-CB 3.41Å; N360-E362 PolarHBondContact OD1-N 2.85Å; N360-E362 VanDerWaalsContact OD1-N 3.08Å; N360-D363 HydrophobicContact CB-CB 4.28Å; N360-D363 VanDerWaalsContact CB-OD2 3.27Å; N360-D363 WeakPolarHBondContact CB-OD2 3.41Å; N360-D363 PolarHBondContact ND2-OD1 3.29Å; N360-D363 PolarHBondContact ND2-OD2 3.42Å; N360-D363 PolarHBondContact O-N 2.93Å
361	V	98.2	Very high	98.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-68.3	-19.4	179.1	-69.6	0	0	0	0	113	I179 W244 L247 V248 I251 T252 Y351 F359 D363 K364	I179-V361 HydrophobicContact CD1-CG1 4.21Å; W244-V361 HydrophobicContact CH2-CG1 4.32Å; W244-V361 HydrophobicContact CZ2-CB 4.18Å; W244-V361 HydrophobicContact CZ2-CG1 4.25Å; L247-V361 HydrophobicContact CD2-CG1 4.4Å; V248-V361 HydrophobicContact CB-CB 3.87Å; V248-V361 HydrophobicContact CB-CG2 3.71Å; V248-V361 HydrophobicContact CG1-CB 3.95Å; V248-V361 HydrophobicContact CG1-CG2 3.37Å; I251-V361 HydrophobicContact CB-CG2 4.31Å; I251-V361 HydrophobicContact CD1-CG1 3.99Å; I251-V361 HydrophobicContact CG2-CG2 3.93Å; T252-V361 HydrophobicContact CG2-CG2 4.45Å; Y351-V361 HydrophobicContact CE2-CG2 4.46Å; Y351-V361 WeakPolarHBondContact OH-CG2 3.38Å; F359-V361 HydrophobicContact CD1-CG1 4.03Å; F359-V361 HydrophobicContact CE1-CG1 3.83Å; V361-D363 VanDerWaalsContact C-N 3.33Å; V361-K364 PolarHBondContact O-N 3.08Å
362	E	97.9	Very high	98.2	Very high	82 Å²	82	37.9 Å²	37.9	38%	0.383	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-79.1	-16.1	176.8	-57.9	177.8	100.8	0	0	113	V248 T252 K356 N360 K364 K522	V248-E362 HydrophobicContact CG1-CG 4.15Å; T252-E362 HydrophobicContact CG2-CG 3.99Å; K356-E362 VanDerWaalsContact CE-OE2 3.31Å; K356-E362 WeakPolarHBondContact CE-OE2 3.35Å; K356-E362 IonicContact NZ-OE2 3.89Å; K356-E362 PolarHBondContact NZ-OE2 3.14Å; N360-E362 PolarHBondContact O-N 3.46Å; N360-E362 WeakPolarHBondContact OD1-CB 3.41Å; N360-E362 PolarHBondContact OD1-N 2.85Å; N360-E362 VanDerWaalsContact OD1-N 3.08Å; E362-K364 VanDerWaalsContact C-N 3.28Å; E362-K522 VanDerWaalsContact O-CE 3.29Å; E362-K522 WeakPolarHBondContact O-CE 3.43Å; E362-K522 PolarHBondContact O-NZ 2.96Å
363	D	98.2	Very high	98.1	Very high	67 Å²	67	38.6 Å²	38.6	36%	0.358	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-88.7	1.9	175	-66.6	-29	0	0	0	112.5	N360 V361 D521 K522	N360-D363 HydrophobicContact CB-CB 4.28Å; N360-D363 VanDerWaalsContact CB-OD2 3.27Å; N360-D363 WeakPolarHBondContact CB-OD2 3.41Å; N360-D363 PolarHBondContact ND2-OD1 3.29Å; N360-D363 PolarHBondContact ND2-OD2 3.42Å; N360-D363 PolarHBondContact O-N 2.93Å; V361-D363 VanDerWaalsContact C-N 3.33Å; D363-D521 WeakPolarHBondContact O-CA 3.2Å; D363-K522 WeakPolarHBondContact O-CG 3.31Å; D363-K522 PolarHBondContact O-N 2.65Å
364	K	98.5	Very high	98	Very high	12 Å²	12	37 Å²	37	5%	0.052	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	142.1	178.3	-46.7	-54.4	175.2	-174.2	0	110.4	W244 F359 V361 E362 E417 V519 V520 D521	W244-K364 HydrophobicContact CH2-CB 4.4Å; W244-K364 HydrophobicContact CH2-CG 4.26Å; W244-K364 HydrophobicContact CZ2-CB 3.49Å; W244-K364 VanDerWaalsContact CZ2-CB 3.49Å; W244-K364 HydrophobicContact CZ2-CG 3.66Å; F359-K364 HydrophobicContact CE1-CG 4.13Å; F359-K364 HydrophobicContact CZ-CD 4.3Å; F359-K364 HydrophobicContact CZ-CG 4.2Å; V361-K364 PolarHBondContact O-N 3.08Å; E362-K364 VanDerWaalsContact C-N 3.28Å; K364-E417 IonicContact NZ-OE1 3.98Å; K364-E417 PolarHBondContact NZ-OE1 2.78Å; K364-E417 IonicContact NZ-OE2 2.65Å; K364-V519 HydrophobicContact CB-CG1 3.63Å; K364-V519 HydrophobicContact CG-CG1 4.46Å; K364-V520 CarbonylContact C-O 3.45Å; K364-V520 WeakPolarHBondContact CA-O 3.49Å; K364-D521 HydrophobicContact CD-CB 4.14Å; K364-D521 IonicContact NZ-OD2 2.68Å; K364-D521 PolarHBondContact NZ-OD2 3.15Å
365	V	98.3	Very high	97.9	Very high	9 Å²	9	35.2 Å²	35.2	6%	0.055	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	142.3	-179.2	-74.4	0	0	0	0	110.8	V519 V520 K522 V525 L530 F533	V365-V519 WeakPolarHBondContact O-CA 3.4Å; V365-V520 HydrophobicContact CG2-CG2 4.37Å; V365-V520 WeakPolarHBondContact CG2-O 3.49Å; V365-V520 PolarHBondContact N-O 3.43Å; V365-V520 PolarHBondContact O-N 3.03Å; V365-K522 HydrophobicContact CG1-CD 4.28Å; V365-K522 HydrophobicContact CG1-CG 3.54Å; V365-K522 HydrophobicContact CG2-CG 4.29Å; V365-V525 HydrophobicContact CG2-CG2 3.76Å; V365-L530 HydrophobicContact CG1-CD2 4.29Å; V365-L530 HydrophobicContact CG2-CD2 4.3Å; V365-F533 HydrophobicContact CB-CE2 3.59Å; V365-F533 HydrophobicContact CB-CZ 3.61Å; V365-F533 HydrophobicContact CG1-CD2 4.12Å; V365-F533 HydrophobicContact CG1-CE2 3.65Å; V365-F533 HydrophobicContact CG1-CZ 3.98Å; V365-F533 HydrophobicContact CG2-CE2 4.26Å
366	C	98.4	Very high	97.9	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.014	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	114.4	179.1	172.3	0	0	0	0	110.4	N398 E517 V519 F533	C366-N398 PolarHBondContact O-N 3.24Å; C366-E517 VanDerWaalsContact SG-CG 3.51Å; C366-E517 PolarHBondContact SG-OE1 3.3Å; C366-V519 HydrophobicContact CB-CG2 4.41Å; C366-F533 WeakPolarHBondContact O-CZ 3.16Å
367	L	98.7	Very high	97.8	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	132	171.7	-54.4	-177.3	0	0	0	109	N398 L405 V408 E517 V518 V520 V525 V529 F533	L367-N398 WeakPolarHBondContact CA-O 3.16Å; L367-N398 HydrophobicContact CD2-CB 3.77Å; L367-L405 HydrophobicContact CB-CD1 4.09Å; L367-L405 HydrophobicContact CB-CG 4.26Å; L367-V408 HydrophobicContact CD1-CG2 3.92Å; L367-E517 CarbonylContact O-C 3.24Å; L367-E517 WeakPolarHBondContact O-CA 3.47Å; L367-V518 HydrophobicContact CB-CG2 4.12Å; L367-V518 PolarHBondContact N-O 2.95Å; L367-V518 PolarHBondContact O-N 3.47Å; L367-V520 HydrophobicContact CD1-CG2 4.39Å; L367-V525 HydrophobicContact CD1-CG1 4.46Å; L367-V525 HydrophobicContact CD1-CG2 4.27Å; L367-V529 HydrophobicContact CD2-CG1 4Å; L367-F533 HydrophobicContact CD2-CE2 4.22Å; L367-F533 HydrophobicContact CD2-CZ 4.09Å
368	V	98.5	Very high	97.8	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.018	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	164.2	176.2	-57.7	0	0	0	0	111.6	Y397 N398 N399 Q400 F516 E517 M546	V368-Y397 HydrophobicContact CG1-CD1 3.43Å; V368-Y397 VanDerWaalsContact CG1-CD1 3.43Å; V368-Y397 HydrophobicContact CG1-CE1 4.15Å; V368-Y397 HydrophobicContact CG1-CG 3.83Å; V368-Y397 HydrophobicContact CG2-CG 4.45Å; V368-N398 PolarHBondContact N-O 2.8Å; V368-N399 HydrophobicContact CG2-CB 4.02Å; V368-N399 PolarHBondContact O-OD1 3.47Å; V368-Q400 PolarHBondContact O-N 2.68Å; V368-F516 CarbonylContact C-O 3.53Å; V368-F516 WeakPolarHBondContact CA-O 3.24Å; V368-F516 WeakPolarHBondContact CB-O 3.47Å; V368-E517 HydrophobicContact CG1-CB 4.12Å; V368-E517 HydrophobicContact CG1-CG 3.94Å; V368-M546 HydrophobicContact CB-CE 3.71Å; V368-M546 HydrophobicContact CG1-CE 3.89Å; V368-M546 HydrophobicContact CG2-CE 4.13Å
369	T	98.3	Very high	97.9	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.012	22%	0.215	C	C	.	.			trans	-128.3	100.6	167.4	-176.7	0	0	0	0	109.9	Q400 V402 L405 G515 F516	T369-Q400 WeakPolarHBondContact CA-O 3.5Å; T369-Q400 VanDerWaalsContact CB-O 3.32Å; T369-Q400 WeakPolarHBondContact CB-O 3.4Å; T369-Q400 PolarHBondContact OG1-O 3.27Å; T369-V402 HydrophobicContact CG2-CB 4.21Å; T369-V402 HydrophobicContact CG2-CG2 4.25Å; T369-L405 HydrophobicContact CG2-CD2 3.82Å; T369-G515 WeakPolarHBondContact CG2-O 3.4Å; T369-F516 PolarHBondContact N-O 3.45Å
370	D	98.2	Very high	97.9	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.016	21%	0.214	C	C	.	.			trans	-112.9	101	174.5	179.4	3.7	0	0	0	108.8	R372 S375 N399 M546	D370-R372 VanDerWaalsContact CG-NE 3.32Å; D370-R372 PolarHBondContact O-N 3.01Å; D370-R372 VanDerWaalsContact OD1-CB 3.27Å; D370-R372 WeakPolarHBondContact OD1-CB 3.44Å; D370-R372 WeakPolarHBondContact OD1-CG 3.47Å; D370-R372 IonicContact OD1-CZ 3.81Å; D370-R372 PolarHBondContact OD1-N 3.44Å; D370-R372 IonicContact OD1-NE 2.85Å; D370-R372 PolarHBondContact OD1-NE 3.09Å; D370-R372 IonicContact OD1-NH2 2.78Å; D370-R372 IonicContact OD2-CZ 2.76Å; D370-R372 IonicContact OD2-NE 3.03Å; D370-R372 PolarHBondContact OD2-NE 2.88Å; D370-R372 IonicContact OD2-NH2 3.93Å; D370-R372 PolarHBondContact OD2-NH2 2.66Å; D370-S375 VanDerWaalsContact CG-CB 3.46Å; D370-S375 WeakPolarHBondContact OD2-CB 3.38Å; D370-S375 PolarHBondContact OD2-OG 3.05Å; D370-N399 PolarHBondContact N-OD1 3.01Å; D370-N399 PolarHBondContact O-ND2 2.63Å; D370-M546 HydrophobicContact CB-CE 4.48Å; D370-M546 HydrophobicContact CB-CG 4.22Å; D370-M546 HydrophobicContact CB-SD 4.04Å
371	P	98	Very high	97.9	Very high	39 Å²	39	37.7 Å²	37.7	25%	0.253	21%	0.208	S	C	.	.			trans	-83.3	8.1	-177.4	34.8	-37.6	0	0	0	113.5	K457 A458 L461	P371-K457 HydrophobicContact CG-CB 3.9Å; P371-K457 HydrophobicContact CG-CD 3.99Å; P371-K457 HydrophobicContact CG-CG 3.77Å; P371-A458 HydrophobicContact CB-CB 4.39Å; P371-A458 HydrophobicContact CG-CB 4.17Å; P371-A458 WeakPolarHBondContact O-CB 3.48Å; P371-L461 HydrophobicContact CG-CD1 4.42Å
372	R	98	Very high	97.9	Very high	19 Å²	19	38.5 Å²	38.5	7%	0.072	21%	0.213	C	C	.	.			trans	-59.6	140.5	178	-71.1	179.1	-67.1	173.8	-2.2	110.2	D370 T374 S375 L461 I462 D544	D370-R372 VanDerWaalsContact CG-NE 3.32Å; D370-R372 PolarHBondContact O-N 3.01Å; D370-R372 VanDerWaalsContact OD1-CB 3.27Å; D370-R372 WeakPolarHBondContact OD1-CB 3.44Å; D370-R372 WeakPolarHBondContact OD1-CG 3.47Å; D370-R372 IonicContact OD1-CZ 3.81Å; D370-R372 PolarHBondContact OD1-N 3.44Å; D370-R372 IonicContact OD1-NE 2.85Å; D370-R372 PolarHBondContact OD1-NE 3.09Å; D370-R372 IonicContact OD1-NH2 2.78Å; D370-R372 IonicContact OD2-CZ 2.76Å; D370-R372 IonicContact OD2-NE 3.03Å; D370-R372 PolarHBondContact OD2-NE 2.88Å; D370-R372 IonicContact OD2-NH2 3.93Å; D370-R372 PolarHBondContact OD2-NH2 2.66Å; R372-T374 PolarHBondContact O-N 2.88Å; R372-S375 PolarHBondContact O-N 2.71Å; R372-L461 HydrophobicContact CG-CB 4.09Å; R372-L461 HydrophobicContact CG-CD1 4.23Å; R372-I462 HydrophobicContact CG-CD1 4.17Å; R372-I462 HydrophobicContact CG-CG1 3.87Å; R372-D544 IonicContact CZ-OD1 2.67Å; R372-D544 IonicContact CZ-OD2 3.23Å; R372-D544 IonicContact NH1-OD1 3.85Å; R372-D544 PolarHBondContact NH1-OD1 3.4Å; R372-D544 IonicContact NH1-OD2 3.19Å; R372-D544 PolarHBondContact NH1-OD2 3.31Å; R372-D544 IonicContact NH2-OD1 2.84Å; R372-D544 PolarHBondContact NH2-OD1 3.5Å; R372-D544 IonicContact NH2-OD2 2.99Å; R372-D544 PolarHBondContact NH2-OD2 3.18Å
373	P	96.6	Very high	97.9	Very high	115 Å²	115	34.7 Å²	34.7	75%	0.747	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-23.4	179.6	-27.3	35.4	0	0	0	114.9	S375	P373-S375 VanDerWaalsContact C-N 3.32Å
374	T	95.9	Very high	97.8	Very high	117 Å²	117	33.6 Å²	33.6	72%	0.718	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82	-9.2	176.6	52.7	0	0	0	0	113.8	R372	R372-T374 PolarHBondContact O-N 2.88Å
375	S	96.7	Very high	97.7	Very high	5 Å²	5	34 Å²	34	4%	0.035	19%	0.194	C	C	.	.	S	Bend	trans	-115.5	78.9	-173.7	-56.7	0	0	0	0	109.6	D370 R372 P373 Y381 N399	D370-S375 VanDerWaalsContact CG-CB 3.46Å; D370-S375 WeakPolarHBondContact OD2-CB 3.38Å; D370-S375 PolarHBondContact OD2-OG 3.05Å; R372-S375 PolarHBondContact O-N 2.71Å; P373-S375 VanDerWaalsContact C-N 3.32Å; S375-Y381 VanDerWaalsContact C-OH 3.23Å; S375-Y381 VanDerWaalsContact CA-OH 3.29Å; S375-Y381 WeakPolarHBondContact CA-OH 3.38Å; S375-N399 PolarHBondContact O-ND2 3.2Å
376	S	97	Very high	97.7	Very high	75 Å²	75	35 Å²	35	52%	0.524	20%	0.199	S	C	.	.			trans	-56	142.1	173.6	-60	0	0	0	0	111.4	Y381 N399	S376-Y381 PolarHBondContact N-OH 3.19Å; S376-Y381 WeakPolarHBondContact O-CE2 3.29Å; S376-Y381 PolarHBondContact O-OH 2.91Å; S376-N399 PolarHBondContact O-ND2 2.99Å
377	Y	97.5	Very high	97.6	Very high	91 Å²	91	35.4 Å²	35.4	36%	0.357	20%	0.203	S	C	.	.	S	Bend	trans	-66.3	164.9	165	-60.2	-44.9	0	0	0	110.9	Q379 N399 Q400	Y377-Q379 PolarHBondContact O-N 2.89Å; Y377-N399 CarbonylContact C-O 3.56Å; Y377-N399 WeakPolarHBondContact CA-O 3.21Å; Y377-Q400 VanDerWaalsContact CE1-C 3.48Å; Y377-Q400 WeakPolarHBondContact CE1-O 3.47Å
378	D	97.6	Very high	97.6	Very high	81 Å²	81	35.4 Å²	35.4	43%	0.433	20%	0.203	S	C	.	.	S	Bend	trans	59.5	35.3	-178.2	-52.4	-53.3	0	0	0	112.9	N399 Q400 V532	D378-N399 PolarHBondContact N-O 3.17Å; D378-Q400 PolarHBondContact OD1-NE2 2.89Å; D378-Q400 PolarHBondContact OD1-OE1 3.46Å; D378-V532 HydrophobicContact CB-CG2 4.42Å
379	Q	98.1	Very high	97.6	Very high	60 Å²	60	35.7 Å²	35.7	28%	0.28	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	147.9	175.4	-64.7	-62.8	-54.4	0	0	109.9	Y377 Y381 N399 I538	Y377-Q379 PolarHBondContact O-N 2.89Å; Q379-Y381 HydrophobicContact CB-CD2 4.4Å; Q379-Y381 HydrophobicContact CB-CE2 3.55Å; Q379-N399 PolarHBondContact O-N 3.24Å; Q379-N399 VanDerWaalsContact O-N 3.1Å; Q379-I538 HydrophobicContact CB-CD1 4.44Å
380	A	98.1	Very high	97.6	Very high	3 Å²	3	38.1 Å²	38.1	3%	0.025	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	138.6	170.7	0	0	0	0	0	110.1	Y397 V532 M535 P537 I538	A380-Y397 CarbonylContact C-O 3.59Å; A380-Y397 WeakPolarHBondContact CA-O 3.45Å; A380-V532 HydrophobicContact CB-CG1 4.17Å; A380-M535 HydrophobicContact CB-CB 4.41Å; A380-P537 HydrophobicContact CB-CB 4.06Å; A380-P537 CarbonylContact O-C 3.59Å; A380-P537 WeakPolarHBondContact O-CA 3.36Å; A380-I538 PolarHBondContact O-N 2.86Å
381	Y	98.5	Very high	97.5	Very high	6 Å²	6	42 Å²	42	2%	0.024	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	154.3	175	-60.5	-96.1	0	0	0	110.4	S375 S376 Q379 Y397 N399 I538 L540	S375-Y381 VanDerWaalsContact C-OH 3.23Å; S375-Y381 VanDerWaalsContact CA-OH 3.29Å; S375-Y381 WeakPolarHBondContact CA-OH 3.38Å; S376-Y381 PolarHBondContact N-OH 3.19Å; S376-Y381 WeakPolarHBondContact O-CE2 3.29Å; S376-Y381 PolarHBondContact O-OH 2.91Å; Q379-Y381 HydrophobicContact CB-CD2 4.4Å; Q379-Y381 HydrophobicContact CB-CE2 3.55Å; Y381-Y397 PolarHBondContact N-O 3.12Å; Y381-Y397 PolarHBondContact O-N 3.12Å; Y381-N399 HydrophobicContact CD2-CB 3.85Å; Y381-N399 HydrophobicContact CE2-CB 3.56Å; Y381-I538 WeakPolarHBondContact CA-O 3.45Å; Y381-I538 HydrophobicContact CD1-CB 3.71Å; Y381-I538 HydrophobicContact CD1-CD1 4.44Å; Y381-I538 HydrophobicContact CD1-CG2 4.02Å; Y381-I538 HydrophobicContact CE1-CB 3.9Å; Y381-I538 HydrophobicContact CE1-CD1 3.79Å; Y381-I538 HydrophobicContact CE1-CG1 4.4Å; Y381-I538 HydrophobicContact CE1-CG2 4.06Å; Y381-L540 HydrophobicContact CD1-CD1 4.16Å; Y381-L540 HydrophobicContact CD1-CD2 3.95Å; Y381-L540 HydrophobicContact CD1-CG 4.08Å; Y381-L540 HydrophobicContact CE1-CD2 4.5Å; Y381-L540 HydrophobicContact CG-CD1 4.44Å
382	T	98.2	Very high	97.5	Very high	17 Å²	17	41.5 Å²	41.5	10%	0.104	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	167.2	167.7	-167.9	0	0	0	0	108.9	V395 P537 I538 V539 L540	T382-V395 WeakPolarHBondContact CA-O 3.36Å; T382-V395 WeakPolarHBondContact CB-O 3.37Å; T382-V395 PolarHBondContact OG1-O 2.82Å; T382-P537 HydrophobicContact CG2-CB 4.08Å; T382-P537 HydrophobicContact CG2-CG 4.05Å; T382-I538 PolarHBondContact N-O 3.22Å; T382-V539 HydrophobicContact CG2-CB 4.26Å; T382-V539 HydrophobicContact CG2-CG1 4.38Å; T382-V539 HydrophobicContact CG2-CG2 3.79Å; T382-L540 WeakPolarHBondContact O-CB 3.33Å; T382-L540 PolarHBondContact O-N 3.39Å
383	V	97.8	Very high	97.4	Very high	3 Å²	3	44 Å²	44	2%	0.018	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	126.7	-179.2	176.6	0	0	0	0	108.7	C385 L386 Y397 L540 P541	V383-C385 PolarHBondContact O-N 3Å; V383-L386 HydrophobicContact CB-CB 3.76Å; V383-L386 HydrophobicContact CB-CD2 3.73Å; V383-L386 HydrophobicContact CB-CG 4.41Å; V383-L386 HydrophobicContact CG1-CB 3.87Å; V383-L386 HydrophobicContact CG1-CD2 4.17Å; V383-L386 HydrophobicContact CG2-CD2 4.09Å; V383-L386 WeakPolarHBondContact O-CB 3.46Å; V383-L386 PolarHBondContact O-N 3.18Å; V383-Y397 HydrophobicContact CG2-CE2 3.86Å; V383-L540 HydrophobicContact CG2-CB 4.19Å; V383-L540 HydrophobicContact CG2-CD1 4.36Å; V383-P541 WeakPolarHBondContact CG1-O 3.39Å
384	D	97.5	Very high	97.3	Very high	44 Å²	44	42 Å²	42	24%	0.235	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	137.5	-180	-173.3	24.8	0	0	0	110.7	R221 L386 V539 L540 A542	R221-D384 IonicContact CZ-OD2 2.89Å; R221-D384 IonicContact NH1-OD1 2.95Å; R221-D384 IonicContact NH1-OD2 3.7Å; R221-D384 PolarHBondContact NH1-OD2 2.66Å; R221-D384 IonicContact NH2-OD2 2.76Å; D384-L386 PolarHBondContact O-N 2.94Å; D384-V539 HydrophobicContact CB-CG1 3.92Å; D384-L540 PolarHBondContact N-O 2.84Å; D384-A542 WeakPolarHBondContact O-CA 3.33Å; D384-A542 WeakPolarHBondContact O-CB 3.48Å
385	C	96.6	Very high	97.4	Very high	19 Å²	19	36.5 Å²	36.5	13%	0.128	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	12.8	179.8	-58.6	0	0	0	0	115.7	Y210 N214 R221 L233 V383 A542	Y210-C385 WeakPolarHBondContact CE1-O 3.48Å; N214-C385 PolarHBondContact ND2-O 2.91Å; R221-C385 PolarHBondContact NH2-SG 3.11Å; L233-C385 HydrophobicContact CD2-CB 3.86Å; V383-C385 PolarHBondContact O-N 3Å; C385-A542 HydrophobicContact CB-CB 4.42Å
386	L	97.3	Very high	97.4	Very high	32 Å²	32	38.1 Å²	38.1	17%	0.168	23%	0.233	C	C	.	.			trans	-89	113.8	173.6	-177	64.3	0	0	0	110.9	Q243 M246 V383 D384 V395	Q243-L386 HydrophobicContact CG-CD2 4.14Å; M246-L386 HydrophobicContact SD-CD1 4.37Å; V383-L386 HydrophobicContact CB-CB 3.76Å; V383-L386 HydrophobicContact CB-CD2 3.73Å; V383-L386 HydrophobicContact CB-CG 4.41Å; V383-L386 HydrophobicContact CG1-CB 3.87Å; V383-L386 HydrophobicContact CG1-CD2 4.17Å; V383-L386 HydrophobicContact CG2-CD2 4.09Å; V383-L386 WeakPolarHBondContact O-CB 3.46Å; V383-L386 PolarHBondContact O-N 3.18Å; D384-L386 PolarHBondContact O-N 2.94Å; L386-V395 HydrophobicContact CD2-CB 4.22Å; L386-V395 HydrophobicContact CD2-CG1 4.17Å; L386-V395 HydrophobicContact CD2-CG2 4.17Å; L386-V395 HydrophobicContact CG-CG2 4.03Å
387	G	97.3	Very high	97.5	Very high	9 Å²	9	34.7 Å²	34.7	9%	0.093	21%	0.208	C	C	.	.			trans	172.8	177.9	177.8	0	0	0	0	0	112.1	Y210	Y210-G387 VanDerWaalsContact CD1-O 3.28Å; Y210-G387 WeakPolarHBondContact CD1-O 3.46Å
388	N	98	Very high	97.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	-132	-33.1	178.8	61.6	-11.9	0	0	0	114.1	D203 E206 R207 Y210 M246 L250	D203-N388 WeakPolarHBondContact OD1-CB 3.2Å; D203-N388 PolarHBondContact OD1-ND2 3.27Å; E206-N388 CarbonylContact C-O 3.52Å; E206-N388 VanDerWaalsContact CB-O 3.25Å; E206-N388 WeakPolarHBondContact CB-O 3.35Å; R207-N388 WeakPolarHBondContact CA-O 3.46Å; R207-N388 HydrophobicContact CB-CB 4.26Å; R207-N388 PolarHBondContact N-O 3.38Å; R207-N388 VanDerWaalsContact N-O 3.17Å; Y210-N388 WeakPolarHBondContact CB-O 3.44Å; M246-N388 WeakPolarHBondContact CA-OD1 3.27Å; M246-N388 HydrophobicContact CB-CB 4.47Å; M246-N388 WeakPolarHBondContact CB-ND2 2.98Å; M246-N388 HydrophobicContact CE-CB 3.76Å; M246-N388 HydrophobicContact CG-CB 4.43Å; M246-N388 PolarHBondContact O-ND2 2.78Å; L250-N388 WeakPolarHBondContact CG-ND2 3.32Å
389	V	98.5	Very high	97.6	Very high	10 Å²	10	26.5 Å²	26.5	6%	0.061	17%	0.171	C	C	.	.	S	Bend	trans	-108	124.8	-179.4	-179.3	0	0	0	0	110.3	E206 N249 L250 K253 G391 G392	E206-V389 HydrophobicContact CB-CG2 3.91Å; E206-V389 HydrophobicContact CG-CG2 3.95Å; N249-V389 HydrophobicContact CB-CB 4.06Å; N249-V389 HydrophobicContact CB-CG2 3.74Å; L250-V389 HydrophobicContact CD2-CG2 4.29Å; K253-V389 HydrophobicContact CD-CG1 4.02Å; V389-G391 PolarHBondContact O-N 2.83Å; V389-G392 PolarHBondContact O-N 3.37Å
390	V	98.1	Very high	97.6	Very high	52 Å²	52	24 Å²	24	32%	0.315	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	126.2	175.5	178.6	0	0	0	0	109.4	Y210 N213 G392	Y210-V390 HydrophobicContact CD2-CG2 4.03Å; N213-V390 HydrophobicContact CB-CG2 4.13Å; V390-G392 PolarHBondContact O-N 3.22Å
391	G	96.7	Very high	97.6	Very high	84 Å²	84	25.9 Å²	25.9	87%	0.866	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.1	4.2	-174.1	0	0	0	0	0	114.3	V389	V389-G391 PolarHBondContact O-N 2.83Å
392	G	97.3	Very high	97.6	Very high	29 Å²	29	26.7 Å²	26.7	30%	0.299	18%	0.177	S	C	.	.	S	Bend	trans	-72.1	176.4	171.4	0	0	0	0	0	112.3	V389 V390	V389-G392 PolarHBondContact O-N 3.37Å; V390-G392 PolarHBondContact O-N 3.22Å
393	R	95.1	Very high	97.6	Very high	72 Å²	72	30.2 Å²	30.2	27%	0.272	19%	0.193	S	C	.	.	P	Polyproline II helix	trans	-58.8	137.1	172.4	148.3	176.3	57.5	-169.8	-49.8	110.3	D245 V248 N249	D245-R393 HydrophobicContact CB-CG 3.95Å; D245-R393 WeakPolarHBondContact OD1-CD 3.27Å; D245-R393 IonicContact OD1-CZ 2.87Å; D245-R393 VanDerWaalsContact OD1-CZ 3.28Å; D245-R393 IonicContact OD1-NE 3.65Å; D245-R393 PolarHBondContact OD1-NE 3.46Å; D245-R393 IonicContact OD1-NH1 2.88Å; D245-R393 PolarHBondContact OD1-NH1 3.45Å; V248-R393 VanDerWaalsContact CG2-NH1 3.28Å; N249-R393 PolarHBondContact ND2-O 2.99Å; N249-R393 WeakPolarHBondContact OD1-CB 3.48Å; N249-R393 PolarHBondContact OD1-N 3.4Å
394	P	95.9	Very high	97.6	Very high	73 Å²	73	31.8 Å²	31.8	47%	0.474	20%	0.201	S	C	.	.	P	Polyproline II helix	trans	-67.7	153.7	168.9	30.6	-35.1	0	0	0	111.1	L396	P394-L396 HydrophobicContact CG-CD2 4.23Å; P394-L396 HydrophobicContact CG-CG 4.22Å; P394-L396 PolarHBondContact O-N 3.05Å
395	V	97.4	Very high	97.6	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.006	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-69.7	122.7	170.1	-179.1	0	0	0	0	108.9	Q243 D245 M246 T382 L386 Y397	Q243-V395 HydrophobicContact CB-CG1 4.02Å; Q243-V395 HydrophobicContact CB-CG2 4.19Å; Q243-V395 HydrophobicContact CG-CG1 4.21Å; D245-V395 HydrophobicContact CB-CG2 4.32Å; D245-V395 WeakPolarHBondContact OD2-CA 3.23Å; M246-V395 HydrophobicContact CG-CG2 3.89Å; M246-V395 HydrophobicContact SD-CG2 4.08Å; T382-V395 WeakPolarHBondContact CA-O 3.36Å; T382-V395 WeakPolarHBondContact CB-O 3.37Å; T382-V395 PolarHBondContact OG1-O 2.82Å; L386-V395 HydrophobicContact CD2-CB 4.22Å; L386-V395 HydrophobicContact CD2-CG1 4.17Å; L386-V395 HydrophobicContact CD2-CG2 4.17Å; L386-V395 HydrophobicContact CG-CG2 4.03Å; V395-Y397 HydrophobicContact CG1-CD1 4.28Å; V395-Y397 HydrophobicContact CG1-CE1 3.59Å; V395-Y397 HydrophobicContact CG1-CE2 3.94Å; V395-Y397 WeakPolarHBondContact CG1-OH 3.24Å
396	L	97.3	Very high	97.7	Very high	40 Å²	40	29.1 Å²	29.1	21%	0.209	19%	0.185	C	C	.	.			trans	-121.4	125.3	-177	-67.3	177.9	0	0	0	110.5	D245 P394 P537	D245-L396 PolarHBondContact OD2-N 3.47Å; P394-L396 HydrophobicContact CG-CD2 4.23Å; P394-L396 HydrophobicContact CG-CG 4.22Å; P394-L396 PolarHBondContact O-N 3.05Å; L396-P537 HydrophobicContact CD2-CB 3.88Å; L396-P537 HydrophobicContact CD2-CG 3.81Å
397	Y	98	Very high	97.7	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.008	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	121.4	177.9	-59.5	-48.9	0	0	0	110.2	Q243 V368 A380 Y381 V383 V395 M546	Q243-Y397 WeakPolarHBondContact CG-OH 3.41Å; Q243-Y397 PolarHBondContact NE2-OH 3.06Å; Q243-Y397 VanDerWaalsContact NE2-OH 3.13Å; V368-Y397 HydrophobicContact CG1-CD1 3.43Å; V368-Y397 VanDerWaalsContact CG1-CD1 3.43Å; V368-Y397 HydrophobicContact CG1-CE1 4.15Å; V368-Y397 HydrophobicContact CG1-CG 3.83Å; V368-Y397 HydrophobicContact CG2-CG 4.45Å; A380-Y397 CarbonylContact C-O 3.59Å; A380-Y397 WeakPolarHBondContact CA-O 3.45Å; Y381-Y397 PolarHBondContact N-O 3.12Å; Y381-Y397 PolarHBondContact O-N 3.12Å; V383-Y397 HydrophobicContact CG2-CE2 3.86Å; V395-Y397 HydrophobicContact CG1-CD1 4.28Å; V395-Y397 HydrophobicContact CG1-CE1 3.59Å; V395-Y397 HydrophobicContact CG1-CE2 3.94Å; V395-Y397 WeakPolarHBondContact CG1-OH 3.24Å; Y397-M546 HydrophobicContact CE2-CB 4.35Å; Y397-M546 PolarHBondContact OH-O 3.02Å
398	N	98.6	Very high	97.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	106.3	169.6	-179.8	-20.6	0	0	0	108.7	C366 L367 V368 Q400 V529 V532 F533	C366-N398 PolarHBondContact O-N 3.24Å; L367-N398 WeakPolarHBondContact CA-O 3.16Å; L367-N398 HydrophobicContact CD2-CB 3.77Å; V368-N398 PolarHBondContact N-O 2.8Å; N398-Q400 WeakPolarHBondContact OD1-CG 3.41Å; N398-Q400 PolarHBondContact OD1-NE2 2.98Å; N398-V529 PolarHBondContact ND2-O 3.4Å; N398-V532 HydrophobicContact CB-CG1 4.38Å; N398-F533 HydrophobicContact CB-CD1 4.38Å; N398-F533 HydrophobicContact CB-CE1 3.66Å; N398-F533 HydrophobicContact CB-CE2 3.96Å; N398-F533 HydrophobicContact CB-CZ 3.4Å; N398-F533 VanDerWaalsContact CB-CZ 3.4Å; N398-F533 VanDerWaalsContact ND2-CE2 3.26Å; N398-F533 WeakPolarHBondContact ND2-CE2 3.44Å
399	N	98.5	Very high	97.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	124.9	-173.7	-168.4	25	0	0	0	111.5	V368 D370 S375 S376 Y377 D378 Q379 Y381	V368-N399 HydrophobicContact CG2-CB 4.02Å; V368-N399 PolarHBondContact O-OD1 3.47Å; D370-N399 PolarHBondContact N-OD1 3.01Å; D370-N399 PolarHBondContact O-ND2 2.63Å; S375-N399 PolarHBondContact O-ND2 3.2Å; S376-N399 PolarHBondContact O-ND2 2.99Å; Y377-N399 CarbonylContact C-O 3.56Å; Y377-N399 WeakPolarHBondContact CA-O 3.21Å; D378-N399 PolarHBondContact N-O 3.17Å; Q379-N399 PolarHBondContact O-N 3.24Å; Q379-N399 VanDerWaalsContact O-N 3.1Å; Y381-N399 HydrophobicContact CD2-CB 3.85Å; Y381-N399 HydrophobicContact CE2-CB 3.56Å
400	Q	98.7	Very high	97.8	Very high	9 Å²	9	30.1 Å²	30.1	4%	0.042	20%	0.197	C	C	.	.			trans	-142.1	161.5	-170.9	-70.9	-59.4	-30.4	0	0	111.9	V368 T369 Y377 D378 N398 L404 L405 V529	V368-Q400 PolarHBondContact O-N 2.68Å; T369-Q400 WeakPolarHBondContact CA-O 3.5Å; T369-Q400 VanDerWaalsContact CB-O 3.32Å; T369-Q400 WeakPolarHBondContact CB-O 3.4Å; T369-Q400 PolarHBondContact OG1-O 3.27Å; Y377-Q400 VanDerWaalsContact CE1-C 3.48Å; Y377-Q400 WeakPolarHBondContact CE1-O 3.47Å; D378-Q400 PolarHBondContact OD1-NE2 2.89Å; D378-Q400 PolarHBondContact OD1-OE1 3.46Å; N398-Q400 WeakPolarHBondContact OD1-CG 3.41Å; N398-Q400 PolarHBondContact OD1-NE2 2.98Å; Q400-L404 HydrophobicContact CB-CD2 3.93Å; Q400-L404 HydrophobicContact CG-CD2 3.79Å; Q400-L404 VanDerWaalsContact OE1-CD2 3.24Å; Q400-L405 HydrophobicContact CB-CD1 3.59Å; Q400-V529 HydrophobicContact CG-CG1 3.99Å
401	S	98.1	Very high	97.8	Very high	42 Å²	42	32.5 Å²	32.5	29%	0.294	20%	0.203	S	C	.	.			trans	-64.3	144.4	174	74.4	0	0	0	0	111.3	E403 L404 L405	S401-E403 PolarHBondContact O-N 2.99Å; S401-L404 WeakPolarHBondContact O-CB 3.41Å; S401-L404 PolarHBondContact O-N 2.92Å; S401-L404 PolarHBondContact OG-N 2.79Å; S401-L405 VanDerWaalsContact O-CD1 3.32Å; S401-L405 WeakPolarHBondContact O-CD1 3.34Å; S401-L405 PolarHBondContact O-N 3.33Å
402	V	98	Very high	97.9	Very high	22 Å²	22	28.5 Å²	28.5	13%	0.133	16%	0.162	C	C	.	.	H	α-helix	trans	-61.5	-28.3	178.8	67.3	0	0	0	0	113.2	T369 L405 L406 F511 R512	T369-V402 HydrophobicContact CG2-CB 4.21Å; T369-V402 HydrophobicContact CG2-CG2 4.25Å; V402-L405 WeakPolarHBondContact O-CB 3.46Å; V402-L405 PolarHBondContact O-N 2.95Å; V402-L406 PolarHBondContact O-N 3.12Å; V402-F511 HydrophobicContact CG2-CD1 3.9Å; V402-F511 HydrophobicContact CG2-CE1 4Å; V402-R512 HydrophobicContact CG1-CB 4.49Å; V402-R512 HydrophobicContact CG1-CG 4.06Å; V402-R512 HydrophobicContact CG2-CG 4.21Å
403	E	97.8	Very high	97.9	Very high	91 Å²	91	27.2 Å²	27.2	43%	0.425	15%	0.148	S	C	.	.	H	α-helix	trans	-66.5	-38.2	174.9	-57.9	-51.1	141.4	0	0	111.9	S401 L406 A407 R512	S401-E403 PolarHBondContact O-N 2.99Å; E403-L406 PolarHBondContact O-N 2.89Å; E403-A407 WeakPolarHBondContact O-CB 3.31Å; E403-A407 PolarHBondContact O-N 3.41Å; E403-R512 IonicContact OE1-CZ 2.7Å; E403-R512 IonicContact OE1-NE 3Å; E403-R512 PolarHBondContact OE1-NE 3.27Å; E403-R512 IonicContact OE1-NH2 3.55Å; E403-R512 PolarHBondContact OE1-NH2 3Å; E403-R512 IonicContact OE2-CZ 3.26Å; E403-R512 IonicContact OE2-NE 2.85Å; E403-R512 IonicContact OE2-NH2 3.22Å; E403-R512 PolarHBondContact OE2-NH2 2.8Å
404	L	98.1	Very high	98	Very high	36 Å²	36	28.3 Å²	28.3	19%	0.188	16%	0.155	C	C	.	.	H	α-helix	trans	-64.3	-44.6	173.5	-179.8	68.9	0	0	0	110.7	Q400 S401 L406 A407 V408 P526 V529	Q400-L404 HydrophobicContact CB-CD2 3.93Å; Q400-L404 HydrophobicContact CG-CD2 3.79Å; Q400-L404 VanDerWaalsContact OE1-CD2 3.24Å; S401-L404 WeakPolarHBondContact O-CB 3.41Å; S401-L404 PolarHBondContact O-N 2.92Å; S401-L404 PolarHBondContact OG-N 2.79Å; L404-L406 PolarHBondContact O-N 3.46Å; L404-A407 WeakPolarHBondContact O-CB 3.35Å; L404-A407 PolarHBondContact O-N 2.71Å; L404-A407 VanDerWaalsContact O-N 3.16Å; L404-V408 HydrophobicContact CD1-CG1 4.34Å; L404-V408 PolarHBondContact O-N 2.74Å; L404-P526 HydrophobicContact CD1-CG 4.29Å; L404-V529 HydrophobicContact CD2-CG1 4.16Å; L404-V529 HydrophobicContact CD2-CG2 3.6Å
405	L	98.6	Very high	98	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-55.7	-51.2	176.3	-87.9	66.3	0	0	0	110.8	L367 T369 Q400 S401 V402 A407 V408 V409 F511 V518	L367-L405 HydrophobicContact CB-CD1 4.09Å; L367-L405 HydrophobicContact CB-CG 4.26Å; T369-L405 HydrophobicContact CG2-CD2 3.82Å; Q400-L405 HydrophobicContact CB-CD1 3.59Å; S401-L405 VanDerWaalsContact O-CD1 3.32Å; S401-L405 WeakPolarHBondContact O-CD1 3.34Å; S401-L405 PolarHBondContact O-N 3.33Å; V402-L405 WeakPolarHBondContact O-CB 3.46Å; V402-L405 PolarHBondContact O-N 2.95Å; L405-A407 VanDerWaalsContact C-N 3.29Å; L405-A407 PolarHBondContact O-N 2.86Å; L405-V408 VanDerWaalsContact O-CG2 3.25Å; L405-V408 WeakPolarHBondContact O-CG2 3.05Å; L405-V408 PolarHBondContact O-N 2.88Å; L405-V409 WeakPolarHBondContact O-CB 3.38Å; L405-V409 WeakPolarHBondContact O-CG2 3.44Å; L405-V409 PolarHBondContact O-N 2.79Å; L405-F511 HydrophobicContact CB-CE1 4.41Å; L405-V518 HydrophobicContact CB-CG2 4.17Å; L405-V518 HydrophobicContact CD2-CG1 4.32Å; L405-V518 HydrophobicContact CD2-CG2 4.11Å; L405-V518 HydrophobicContact CG-CG2 3.74Å
406	L	98.5	Very high	97.9	Very high	7 Å²	7	29.7 Å²	29.7	4%	0.037	18%	0.176	C	C	.	.	H	α-helix	trans	-61	-36.4	177.8	-75.1	172.3	0	0	0	112.6	V402 E403 L404 T410 L488 A508 F511 R512	V402-L406 PolarHBondContact O-N 3.12Å; E403-L406 PolarHBondContact O-N 2.89Å; L404-L406 PolarHBondContact O-N 3.46Å; L406-T410 VanDerWaalsContact O-CB 3.28Å; L406-T410 WeakPolarHBondContact O-CB 3.4Å; L406-T410 PolarHBondContact O-N 2.99Å; L406-T410 PolarHBondContact O-OG1 3.38Å; L406-L488 HydrophobicContact CD2-CD1 4.27Å; L406-A508 HydrophobicContact CD1-CB 4.5Å; L406-F511 HydrophobicContact CD2-CB 4.42Å; L406-F511 HydrophobicContact CD2-CD1 3.65Å; L406-F511 HydrophobicContact CD2-CE1 4.25Å; L406-F511 HydrophobicContact CD2-CG 4.19Å; L406-F511 HydrophobicContact CG-CD1 3.97Å; L406-F511 HydrophobicContact CG-CE1 4.41Å; L406-R512 HydrophobicContact CD1-CG 4.27Å
407	A	98	Very high	97.9	Very high	57 Å²	57	29.2 Å²	29.2	47%	0.471	17%	0.173	S	C	.	.	H	α-helix	trans	-66.1	-46.4	177.4	0	0	0	0	0	112.3	E403 L404 L405 T410 K411	E403-A407 WeakPolarHBondContact O-CB 3.31Å; E403-A407 PolarHBondContact O-N 3.41Å; L404-A407 WeakPolarHBondContact O-CB 3.35Å; L404-A407 PolarHBondContact O-N 2.71Å; L404-A407 VanDerWaalsContact O-N 3.16Å; L405-A407 VanDerWaalsContact C-N 3.29Å; L405-A407 PolarHBondContact O-N 2.86Å; A407-T410 PolarHBondContact O-N 2.96Å; A407-K411 PolarHBondContact O-N 2.95Å
408	V	98.5	Very high	98	Very high	5 Å²	5	29.5 Å²	29.5	3%	0.03	18%	0.176	C	C	.	.	H	α-helix	trans	-71.4	-35.5	179	-60.6	0	0	0	0	112.3	L367 L404 L405 K411 S412 V520	L367-V408 HydrophobicContact CD1-CG2 3.92Å; L404-V408 HydrophobicContact CD1-CG1 4.34Å; L404-V408 PolarHBondContact O-N 2.74Å; L405-V408 VanDerWaalsContact O-CG2 3.25Å; L405-V408 WeakPolarHBondContact O-CG2 3.05Å; L405-V408 PolarHBondContact O-N 2.88Å; V408-K411 PolarHBondContact O-N 3.34Å; V408-S412 PolarHBondContact O-N 2.97Å; V408-V520 HydrophobicContact CB-CG2 4.37Å; V408-V520 HydrophobicContact CG2-CG1 4.25Å; V408-V520 HydrophobicContact CG2-CG2 4.05Å
409	V	98.6	Very high	98	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-58.7	-49.1	170.7	169.4	0	0	0	0	110.1	L405 K411 S412 L413 V419 F474 L488 V518	L405-V409 WeakPolarHBondContact O-CB 3.38Å; L405-V409 WeakPolarHBondContact O-CG2 3.44Å; L405-V409 PolarHBondContact O-N 2.79Å; V409-K411 VanDerWaalsContact C-N 3.3Å; V409-K411 PolarHBondContact O-N 3.33Å; V409-S412 WeakPolarHBondContact O-CB 3.19Å; V409-S412 PolarHBondContact O-N 2.93Å; V409-L413 HydrophobicContact CG1-CD1 3.71Å; V409-L413 HydrophobicContact CG1-CG 4.33Å; V409-L413 WeakPolarHBondContact O-CG 3.45Å; V409-L413 PolarHBondContact O-N 2.74Å; V409-V419 HydrophobicContact CG1-CG2 4.42Å; V409-V419 HydrophobicContact CG2-CG1 4.01Å; V409-F474 HydrophobicContact CG1-CD2 3.89Å; V409-F474 HydrophobicContact CG1-CE2 4.46Å; V409-F474 HydrophobicContact CG1-CG 4.43Å; V409-L488 HydrophobicContact CG1-CD2 3.79Å; V409-V518 HydrophobicContact CG2-CB 3.99Å; V409-V518 HydrophobicContact CG2-CG1 3.67Å; V409-V518 HydrophobicContact CG2-CG2 4.16Å
410	T	98.3	Very high	98	Very high	10 Å²	10	29.7 Å²	29.7	6%	0.061	18%	0.177	C	C	.	.	H	α-helix	trans	-59.7	-41.5	178.3	-62.8	0	0	0	0	111.5	L406 A407 K414 V477 V479	L406-T410 VanDerWaalsContact O-CB 3.28Å; L406-T410 WeakPolarHBondContact O-CB 3.4Å; L406-T410 PolarHBondContact O-N 2.99Å; L406-T410 PolarHBondContact O-OG1 3.38Å; A407-T410 PolarHBondContact O-N 2.96Å; T410-K414 HydrophobicContact CG2-CD 4.1Å; T410-K414 HydrophobicContact CG2-CG 4.48Å; T410-K414 WeakPolarHBondContact O-CB 3.35Å; T410-K414 VanDerWaalsContact O-CG 3.3Å; T410-K414 WeakPolarHBondContact O-CG 3.38Å; T410-K414 PolarHBondContact O-N 3.48Å; T410-V477 HydrophobicContact CG2-CG1 4.4Å; T410-V479 HydrophobicContact CG2-CG1 3.62Å
411	K	97.8	Very high	98	Very high	103 Å²	103	29.2 Å²	29.2	45%	0.448	18%	0.175	S	C	.	.	H	α-helix	trans	-62.9	-44.1	176.4	-169.3	-179.6	173.2	-171.4	0	111.6	A407 V408 V409 A415 Y524	A407-K411 PolarHBondContact O-N 2.95Å; V408-K411 PolarHBondContact O-N 3.34Å; V409-K411 VanDerWaalsContact C-N 3.3Å; V409-K411 PolarHBondContact O-N 3.33Å; K411-A415 WeakPolarHBondContact O-CB 3.15Å; K411-A415 PolarHBondContact O-N 2.78Å; K411-A415 VanDerWaalsContact O-N 3.15Å; K411-Y524 HydrophobicContact CB-CD1 4.44Å; K411-Y524 HydrophobicContact CD-CD1 3.94Å; K411-Y524 HydrophobicContact CD-CG 4.45Å; K411-Y524 HydrophobicContact CG-CD1 3.75Å; K411-Y524 HydrophobicContact CG-CE1 4.46Å; K411-Y524 HydrophobicContact CG-CG 4.44Å; K411-Y524 PolarHBondContact NZ-O 3.03Å
412	S	98.2	Very high	98	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.1	-50.1	176.4	-172	0	0	0	0	112	V408 V409 K414 A415 G416 E417 V419	V408-S412 PolarHBondContact O-N 2.97Å; V409-S412 WeakPolarHBondContact O-CB 3.19Å; V409-S412 PolarHBondContact O-N 2.93Å; S412-K414 PolarHBondContact O-N 3.28Å; S412-A415 CarbonylContact O-C 3.58Å; S412-A415 WeakPolarHBondContact O-CA 3.26Å; S412-A415 WeakPolarHBondContact O-CB 3.48Å; S412-A415 PolarHBondContact O-N 2.99Å; S412-G416 PolarHBondContact O-N 2.84Å; S412-E417 CarbonylContact C-O 3.48Å; S412-E417 PolarHBondContact O-N 3.03Å; S412-E417 PolarHBondContact OG-O 3.19Å; S412-V419 WeakPolarHBondContact OG-CG2 3.46Å
413	L	98.2	Very high	98	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.01	15%	0.154	C	C	.	.	H	α-helix	trans	-65	-39.3	-179.1	-67.9	171.3	0	0	0	112.5	V154 V409 A415 G416 F474 V477 L488	V154-L413 HydrophobicContact CG1-CD2 4.21Å; V409-L413 HydrophobicContact CG1-CD1 3.71Å; V409-L413 HydrophobicContact CG1-CG 4.33Å; V409-L413 WeakPolarHBondContact O-CG 3.45Å; V409-L413 PolarHBondContact O-N 2.74Å; L413-A415 PolarHBondContact O-N 2.65Å; L413-G416 PolarHBondContact O-N 3.17Å; L413-F474 HydrophobicContact CD1-CB 4.09Å; L413-F474 HydrophobicContact CD2-CB 4.22Å; L413-F474 WeakPolarHBondContact CD2-O 3.36Å; L413-V477 HydrophobicContact CB-CG1 4Å; L413-V477 HydrophobicContact CD1-CB 3.79Å; L413-V477 HydrophobicContact CD1-CG1 3.97Å; L413-L488 HydrophobicContact CD1-CD2 4.39Å
414	K	96.7	Very high	98	Very high	94 Å²	94	22.5 Å²	22.5	41%	0.409	14%	0.137	S	C	.	.	H	α-helix	trans	-63.4	-28.5	173.1	-78.1	180	176.3	177.7	0	112.7	Y152 T410 S412 G416	Y152-K414 HydrophobicContact CD1-CG 3.91Å; Y152-K414 HydrophobicContact CD2-CG 4.24Å; Y152-K414 HydrophobicContact CE1-CG 4.27Å; Y152-K414 HydrophobicContact CG-CG 3.89Å; T410-K414 HydrophobicContact CG2-CD 4.1Å; T410-K414 HydrophobicContact CG2-CG 4.48Å; T410-K414 WeakPolarHBondContact O-CB 3.35Å; T410-K414 VanDerWaalsContact O-CG 3.3Å; T410-K414 WeakPolarHBondContact O-CG 3.38Å; T410-K414 PolarHBondContact O-N 3.48Å; S412-K414 PolarHBondContact O-N 3.28Å; K414-G416 VanDerWaalsContact C-N 3.29Å
415	A	96.3	Very high	97.9	Very high	62 Å²	62	21.4 Å²	21.4	51%	0.512	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	2.3	174	0	0	0	0	0	113.5	K411 S412 L413 Y524	K411-A415 WeakPolarHBondContact O-CB 3.15Å; K411-A415 PolarHBondContact O-N 2.78Å; K411-A415 VanDerWaalsContact O-N 3.15Å; S412-A415 CarbonylContact O-C 3.58Å; S412-A415 WeakPolarHBondContact O-CA 3.26Å; S412-A415 WeakPolarHBondContact O-CB 3.48Å; S412-A415 PolarHBondContact O-N 2.99Å; L413-A415 PolarHBondContact O-N 2.65Å; A415-Y524 HydrophobicContact CB-CE1 3.73Å; A415-Y524 WeakPolarHBondContact CB-OH 3.47Å
416	G	95.9	Very high	97.7	Very high	41 Å²	41	23.1 Å²	23.1	42%	0.423	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.1	14.5	177	0	0	0	0	0	114.9	S412 L413 K414	S412-G416 PolarHBondContact O-N 2.84Å; L413-G416 PolarHBondContact O-N 3.17Å; K414-G416 VanDerWaalsContact C-N 3.29Å
417	E	97.4	Very high	97.6	Very high	31 Å²	31	23.8 Å²	23.8	15%	0.145	15%	0.146	C	C	.	.			trans	-107.2	119	-179.6	-169.8	176.4	137.9	0	0	110.9	K364 S412 K523 Y524	K364-E417 IonicContact NZ-OE1 3.98Å; K364-E417 PolarHBondContact NZ-OE1 2.78Å; K364-E417 IonicContact NZ-OE2 2.65Å; S412-E417 CarbonylContact C-O 3.48Å; S412-E417 PolarHBondContact O-N 3.03Å; S412-E417 PolarHBondContact OG-O 3.19Å; E417-K523 IonicContact OE2-NZ 2.67Å; E417-K523 PolarHBondContact OE2-NZ 2.88Å; E417-Y524 HydrophobicContact CB-CE2 4.39Å
418	A	98.4	Very high	97.5	Very high	8 Å²	8	21.3 Å²	21.3	7%	0.066	13%	0.125	C	C	.	.			trans	-70.8	148.7	178.9	0	0	0	0	0	111.8	V154 L181 V473 F474	V154-A418 HydrophobicContact CG1-CB 4.28Å; L181-A418 HydrophobicContact CD1-CB 3.49Å; L181-A418 VanDerWaalsContact CD1-CB 3.49Å; A418-V473 HydrophobicContact CB-CG1 3.7Å; A418-F474 VanDerWaalsContact CA-O 3.32Å; A418-F474 WeakPolarHBondContact CA-O 3.32Å; A418-F474 WeakPolarHBondContact CB-O 3.42Å
419	V	98.8	Very high	97.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	122.2	-169.5	177.4	0	0	0	0	110.6	V409 S412 V473 F474 V518 V519 V520	V409-V419 HydrophobicContact CG1-CG2 4.42Å; V409-V419 HydrophobicContact CG2-CG1 4.01Å; S412-V419 WeakPolarHBondContact OG-CG2 3.46Å; V419-V473 CarbonylContact O-C 3.42Å; V419-V473 WeakPolarHBondContact O-CA 3.42Å; V419-F474 HydrophobicContact CB-CB 4.29Å; V419-F474 HydrophobicContact CB-CD2 4.36Å; V419-F474 HydrophobicContact CG1-CD2 4.4Å; V419-F474 PolarHBondContact N-O 2.79Å; V419-F474 VanDerWaalsContact N-O 3.09Å; V419-F474 PolarHBondContact O-N 3.47Å; V419-V518 HydrophobicContact CG1-CB 4.1Å; V419-V519 WeakPolarHBondContact CG1-O 3.4Å; V419-V520 HydrophobicContact CG1-CG1 3.92Å; V419-V520 HydrophobicContact CG2-CG1 4.08Å
420	W	98.7	Very high	97.4	Very high	3 Å²	3	22.3 Å²	22.3	1%	0.011	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	139.5	168.4	179.5	108.1	0	0	0	108.8	W171 A174 C178 W244 A471 E517 V518 V519 L549	W171-W420 HydrophobicContact CB-CZ2 4.19Å; W171-W420 PolarHBondContact O-NE1 2.82Å; A174-W420 HydrophobicContact CB-CG 4.37Å; C178-W420 PolarHBondContact SG-N 3.02Å; W244-W420 HydrophobicContact CE3-CD2 4.44Å; W244-W420 HydrophobicContact CE3-CG 4.32Å; W244-W420 HydrophobicContact CZ3-CB 4.39Å; W244-W420 HydrophobicContact CZ3-CG 4.39Å; W420-A471 HydrophobicContact CH2-CB 4.23Å; W420-A471 HydrophobicContact CZ2-CB 3.42Å; W420-A471 VanDerWaalsContact CZ2-CB 3.42Å; W420-E517 HydrophobicContact CH2-CG 4.47Å; W420-E517 HydrophobicContact CZ3-CB 4.23Å; W420-E517 HydrophobicContact CZ3-CG 3.72Å; W420-E517 WeakPolarHBondContact CZ3-OE1 3.23Å; W420-V518 WeakPolarHBondContact O-CA 3.45Å; W420-V519 HydrophobicContact CB-CB 4.22Å; W420-V519 HydrophobicContact CD2-CG2 4.23Å; W420-V519 HydrophobicContact CE3-CB 4.14Å; W420-V519 HydrophobicContact CE3-CG2 3.49Å; W420-V519 VanDerWaalsContact CE3-CG2 3.49Å; W420-V519 HydrophobicContact CZ3-CG2 4.01Å; W420-V519 PolarHBondContact O-N 3.24Å; W420-L549 HydrophobicContact CH2-CD1 3.43Å; W420-L549 VanDerWaalsContact CH2-CD1 3.43Å; W420-L549 HydrophobicContact CZ2-CD1 3.54Å
421	F	98.6	Very high	97.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	153.9	176.3	76.4	-85.8	0	0	0	112.1	C423 A471 M472 F474 V490 M506 F511 E517 V518	F421-C423 HydrophobicContact CD2-CB 4.12Å; F421-C423 HydrophobicContact CE2-CB 3.87Å; F421-A471 CarbonylContact O-C 3.41Å; F421-A471 WeakPolarHBondContact O-CA 3.3Å; F421-M472 HydrophobicContact CD1-CB 4.35Å; F421-M472 WeakPolarHBondContact CD1-O 3.29Å; F421-M472 HydrophobicContact CE1-CB 3.59Å; F421-M472 HydrophobicContact CE2-CB 4.45Å; F421-M472 HydrophobicContact CE2-CE 4.03Å; F421-M472 HydrophobicContact CZ-CB 3.67Å; F421-M472 HydrophobicContact CZ-CE 3.7Å; F421-M472 PolarHBondContact N-O 3Å; F421-M472 PolarHBondContact O-N 3.39Å; F421-F474 HydrophobicContact CB-CD2 4.11Å; F421-F474 HydrophobicContact CB-CE2 3.67Å; F421-F474 HydrophobicContact CB-CZ 4.41Å; F421-F474 HydrophobicContact CD1-CD1 4.01Å; F421-F474 AromaticContact CD1-CD2 3.43Å; F421-F474 HydrophobicContact CD1-CD2 3.43Å; F421-F474 VanDerWaalsContact CD1-CD2 3.43Å; F421-F474 AromaticContact CD1-CE1 3.92Å; F421-F474 HydrophobicContact CD1-CE1 3.92Å; F421-F474 AromaticContact CD1-CE2 3.34Å; F421-F474 HydrophobicContact CD1-CE2 3.34Å; F421-F474 AromaticContact CD1-CG 3.77Å; F421-F474 HydrophobicContact CD1-CG 3.77Å; F421-F474 AromaticContact CD1-CZ 3.58Å; F421-F474 HydrophobicContact CD1-CZ 3.58Å; F421-F474 AromaticContact CD2-CE2 3.9Å; F421-F474 HydrophobicContact CD2-CE2 3.9Å; F421-F474 AromaticContact CD2-CZ 3.76Å; F421-F474 HydrophobicContact CD2-CZ 3.76Å; F421-F474 AromaticContact CE1-CD1 3.63Å; F421-F474 HydrophobicContact CE1-CD1 3.63Å; F421-F474 AromaticContact CE1-CD2 3.95Å; F421-F474 HydrophobicContact CE1-CD2 3.95Å; F421-F474 AromaticContact CE1-CE1 3.47Å; F421-F474 HydrophobicContact CE1-CE1 3.47Å; F421-F474 VanDerWaalsContact CE1-CE1 3.47Å; F421-F474 AromaticContact CE1-CE2 3.82Å; F421-F474 HydrophobicContact CE1-CE2 3.82Å; F421-F474 AromaticContact CE1-CG 3.86Å; F421-F474 HydrophobicContact CE1-CG 3.86Å; F421-F474 AromaticContact CE1-CZ 3.56Å; F421-F474 HydrophobicContact CE1-CZ 3.56Å; F421-F474 HydrophobicContact CE2-CE1 4.19Å; F421-F474 HydrophobicContact CE2-CE2 4.33Å; F421-F474 AromaticContact CE2-CZ 3.76Å; F421-F474 HydrophobicContact CE2-CZ 3.76Å; F421-F474 AromaticContact CG-CD2 3.88Å; F421-F474 HydrophobicContact CG-CD2 3.88Å; F421-F474 HydrophobicContact CG-CE1 4.42Å; F421-F474 AromaticContact CG-CE2 3.35Å; F421-F474 HydrophobicContact CG-CE2 3.35Å; F421-F474 AromaticContact CG-CZ 3.66Å; F421-F474 HydrophobicContact CG-CZ 3.66Å; F421-F474 HydrophobicContact CZ-CD1 4.22Å; F421-F474 AromaticContact CZ-CE1 3.61Å; F421-F474 HydrophobicContact CZ-CE1 3.61Å; F421-F474 HydrophobicContact CZ-CE2 4.28Å; F421-F474 AromaticContact CZ-CZ 3.64Å; F421-F474 HydrophobicContact CZ-CZ 3.64Å; F421-V490 HydrophobicContact CE1-CG1 3.84Å; F421-V490 HydrophobicContact CE1-CG2 4.17Å; F421-V490 HydrophobicContact CZ-CG1 3.75Å; F421-V490 HydrophobicContact CZ-CG2 3.94Å; F421-M506 HydrophobicContact CE2-CE 3.67Å; F421-M506 HydrophobicContact CZ-CE 3.73Å; F421-F511 HydrophobicContact CB-CE2 4.5Å; F421-F511 AromaticContact CD2-CE2 3.97Å; F421-F511 HydrophobicContact CD2-CE2 3.97Å; F421-F511 HydrophobicContact CG-CE2 4.47Å; F421-E517 CarbonylContact C-O 3.56Å; F421-E517 WeakPolarHBondContact CA-O 3.45Å; F421-E517 WeakPolarHBondContact CB-O 3.22Å; F421-V518 HydrophobicContact CB-CG1 4.02Å
422	G	98.2	Very high	96.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	136.6	174.9	0	0	0	0	0	111.7	F516 E517	G422-F516 PolarHBondContact O-N 2.99Å; G422-E517 PolarHBondContact N-O 2.9Å; G422-E517 PolarHBondContact O-N 3.28Å
423	C	98.1	Very high	96.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	173.3	-177.3	67.1	0	0	0	0	112.7	F421 T469 H470 M472 W510 F514	F421-C423 HydrophobicContact CD2-CB 4.12Å; F421-C423 HydrophobicContact CE2-CB 3.87Å; C423-T469 PolarHBondContact O-N 2.74Å; C423-H470 PolarHBondContact N-O 3Å; C423-H470 PolarHBondContact O-N 3.09Å; C423-M472 VanDerWaalsContact SG-CE 3.57Å; C423-W510 HydrophobicContact CB-CH2 4.01Å; C423-W510 HydrophobicContact CB-CZ3 3.92Å; C423-F514 CarbonylContact C-O 3.53Å; C423-F514 WeakPolarHBondContact CA-O 3.2Å; C423-F514 VanDerWaalsContact CB-O 3.3Å; C423-F514 WeakPolarHBondContact CB-O 3.31Å
424	E	97.1	Very high	96.7	Very high	13 Å²	13	28 Å²	28	6%	0.061	16%	0.16	C	C	.	.			trans	-95.2	90.9	163.5	175.6	48.4	-97.8	0	0	110	S426 K427 A467 T469 W510 F514 F516	E424-S426 VanDerWaalsContact C-N 3.29Å; E424-S426 PolarHBondContact O-N 2.86Å; E424-S426 VanDerWaalsContact OE1-CB 3.32Å; E424-S426 WeakPolarHBondContact OE1-CB 3.45Å; E424-S426 PolarHBondContact OE1-N 3.46Å; E424-S426 PolarHBondContact OE1-OG 3.37Å; E424-K427 HydrophobicContact CB-CG 4.44Å; E424-K427 HydrophobicContact CG-CB 4.26Å; E424-K427 HydrophobicContact CG-CD 4.34Å; E424-K427 HydrophobicContact CG-CG 3.32Å; E424-A467 VanDerWaalsContact CB-O 3.29Å; E424-A467 WeakPolarHBondContact CB-O 3.32Å; E424-T469 WeakPolarHBondContact CA-OG1 3.49Å; E424-T469 VanDerWaalsContact CD-OG1 3.22Å; E424-T469 PolarHBondContact OE1-OG1 3.41Å; E424-T469 WeakPolarHBondContact OE2-CG2 3.36Å; E424-T469 PolarHBondContact OE2-OG1 3.16Å; E424-W510 WeakPolarHBondContact O-CH2 3.28Å; E424-W510 WeakPolarHBondContact O-CZ2 3.25Å; E424-F514 HydrophobicContact CB-CB 4.32Å; E424-F514 PolarHBondContact N-O 3.44Å; E424-F516 HydrophobicContact CB-CE2 3.86Å
425	V	96.5	Very high	96.7	Very high	13 Å²	13	24 Å²	24	8%	0.079	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-20.8	-171	69.6	0	0	0	0	113.9	K427 F429 T469 H470 M472 W494	V425-K427 VanDerWaalsContact C-N 3.3Å; V425-K427 PolarHBondContact O-N 3.19Å; V425-F429 HydrophobicContact CG2-CD1 4.26Å; V425-F429 HydrophobicContact CG2-CE1 4.15Å; V425-F429 VanDerWaalsContact O-CB 3.29Å; V425-F429 WeakPolarHBondContact O-CB 3.37Å; V425-F429 WeakPolarHBondContact O-CD1 3.2Å; V425-F429 WeakPolarHBondContact O-CG 3.3Å; V425-T469 PolarHBondContact N-OG1 2.93Å; V425-H470 HydrophobicContact CB-CB 3.82Å; V425-H470 HydrophobicContact CG1-CB 3.47Å; V425-H470 VanDerWaalsContact CG1-CB 3.47Å; V425-M472 HydrophobicContact CB-CE 4.49Å; V425-M472 HydrophobicContact CG2-CE 3.94Å; V425-M472 HydrophobicContact CG2-SD 4.47Å; V425-W494 HydrophobicContact CG1-CH2 4.05Å; V425-W494 HydrophobicContact CG1-CZ2 4.27Å; V425-W494 HydrophobicContact CG2-CH2 3.7Å; V425-W494 HydrophobicContact CG2-CZ2 4.46Å; V425-W494 HydrophobicContact CG2-CZ3 4.45Å
426	S	94.1	Very high	96.8	Very high	36 Å²	36	21 Å²	21	25%	0.252	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-13.6	-173	70.2	0	0	0	0	113.9	E424	E424-S426 VanDerWaalsContact C-N 3.29Å; E424-S426 PolarHBondContact O-N 2.86Å; E424-S426 VanDerWaalsContact OE1-CB 3.32Å; E424-S426 WeakPolarHBondContact OE1-CB 3.45Å; E424-S426 PolarHBondContact OE1-N 3.46Å; E424-S426 PolarHBondContact OE1-OG 3.37Å
427	K	96.3	Very high	96.9	Very high	21 Å²	21	19.7 Å²	19.7	9%	0.091	10%	0.102	C	C	.	.	S	Bend	trans	-93.2	138.3	-171.9	-56.5	-72.5	178.2	-177.4	0	110.3	E424 V425 F429 Q452 E465 W510 F514	E424-K427 HydrophobicContact CB-CG 4.44Å; E424-K427 HydrophobicContact CG-CB 4.26Å; E424-K427 HydrophobicContact CG-CD 4.34Å; E424-K427 HydrophobicContact CG-CG 3.32Å; V425-K427 VanDerWaalsContact C-N 3.3Å; V425-K427 PolarHBondContact O-N 3.19Å; K427-F429 PolarHBondContact O-N 3.48Å; K427-F429 VanDerWaalsContact O-N 3.09Å; K427-Q452 HydrophobicContact CD-CB 4.18Å; K427-Q452 HydrophobicContact CD-CG 3.7Å; K427-E465 WeakPolarHBondContact CE-O 3.39Å; K427-E465 PolarHBondContact NZ-O 2.81Å; K427-E465 IonicContact NZ-OE1 2.65Å; K427-E465 PolarHBondContact NZ-OE1 2.89Å; K427-W510 WeakPolarHBondContact O-CZ2 3.21Å; K427-W510 PolarHBondContact O-NE1 3.16Å; K427-F514 HydrophobicContact CB-CD1 3.68Å; K427-F514 HydrophobicContact CB-CD2 4.16Å; K427-F514 HydrophobicContact CB-CE1 3.54Å; K427-F514 HydrophobicContact CB-CE2 4.03Å; K427-F514 HydrophobicContact CB-CG 4Å; K427-F514 HydrophobicContact CB-CZ 3.72Å; K427-F514 HydrophobicContact CG-CD1 3.93Å; K427-F514 HydrophobicContact CG-CE1 3.82Å; K427-F514 HydrophobicContact CG-CZ 4.45Å
428	R	96.8	Very high	96.9	Very high	6 Å²	6	19.4 Å²	19.4	2%	0.023	10%	0.102	C	C	.	.	S	Bend	trans	43.3	48.5	177.1	-58.6	-61.7	-174.5	152.8	-1.9	113.1	D437 V438 V440 H441 F443 D450 I451 T453 W510 F514	R428-D437 WeakPolarHBondContact CB-O 3.22Å; R428-D437 PolarHBondContact O-N 3.45Å; R428-D437 VanDerWaalsContact O-O 3.14Å; R428-V438 WeakPolarHBondContact CD-O 3.46Å; R428-V440 VanDerWaalsContact C-CG1 3.49Å; R428-V440 VanDerWaalsContact O-CG1 3.31Å; R428-V440 WeakPolarHBondContact O-CG1 3.46Å; R428-H441 PolarHBondContact NH1-O 3.44Å; R428-F443 VanDerWaalsContact NH1-CD2 3.31Å; R428-D450 IonicContact CZ-OD1 3.68Å; R428-D450 IonicContact NH1-OD1 2.76Å; R428-D450 IonicContact NH2-OD1 3.96Å; R428-D450 PolarHBondContact NH2-OD1 3.25Å; R428-D450 IonicContact NH2-OD2 3.28Å; R428-I451 PolarHBondContact NH2-O 3.17Å; R428-T453 HydrophobicContact CG-CG2 4.45Å; R428-T453 PolarHBondContact NH2-OG1 2.88Å; R428-W510 PolarHBondContact O-NE1 3.28Å; R428-F514 HydrophobicContact CB-CE2 4.1Å; R428-F514 HydrophobicContact CG-CE2 3.76Å; R428-F514 HydrophobicContact CG-CZ 4.09Å
429	F	97.2	Very high	96.7	Very high	22 Å²	22	24.4 Å²	24.4	10%	0.096	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	119.1	-172.1	173.7	-136	0	0	0	112.1	V425 K427 S431 I435 E436 W494 L504	V425-F429 HydrophobicContact CG2-CD1 4.26Å; V425-F429 HydrophobicContact CG2-CE1 4.15Å; V425-F429 VanDerWaalsContact O-CB 3.29Å; V425-F429 WeakPolarHBondContact O-CB 3.37Å; V425-F429 WeakPolarHBondContact O-CD1 3.2Å; V425-F429 WeakPolarHBondContact O-CG 3.3Å; K427-F429 PolarHBondContact O-N 3.48Å; K427-F429 VanDerWaalsContact O-N 3.09Å; F429-S431 VanDerWaalsContact CE1-CB 3.45Å; F429-S431 VanDerWaalsContact CZ-CA 3.45Å; F429-S431 PolarHBondContact O-N 3.24Å; F429-I435 WeakPolarHBondContact CA-O 3.27Å; F429-I435 WeakPolarHBondContact CD2-O 3.31Å; F429-E436 HydrophobicContact CB-CG 4.45Å; F429-E436 HydrophobicContact CD2-CG 3.43Å; F429-E436 VanDerWaalsContact CD2-CG 3.43Å; F429-E436 HydrophobicContact CE2-CG 3.89Å; F429-E436 HydrophobicContact CG-CG 4.16Å; F429-W494 HydrophobicContact CE1-CH2 4.11Å; F429-W494 AromaticContact CE1-CZ3 3.69Å; F429-W494 HydrophobicContact CE1-CZ3 3.69Å; F429-W494 AromaticContact CZ-CZ3 3.98Å; F429-W494 HydrophobicContact CZ-CZ3 3.98Å; F429-L504 HydrophobicContact CE2-CD1 4.01Å; F429-L504 HydrophobicContact CE2-CD2 4.23Å; F429-L504 HydrophobicContact CZ-CD1 4.06Å; F429-L504 HydrophobicContact CZ-CD2 4.19Å
430	A	96.8	Very high	96.7	Very high	3 Å²	3	24.4 Å²	24.4	3%	0.025	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	84.7	172.3	0	0	0	0	0	109.8	L138 K432 Q433 G434 I435 V440	L138-A430 HydrophobicContact CD2-CB 3.49Å; L138-A430 VanDerWaalsContact CD2-CB 3.49Å; A430-K432 VanDerWaalsContact C-N 3.33Å; A430-K432 PolarHBondContact O-N 3.08Å; A430-Q433 HydrophobicContact CB-CB 4.42Å; A430-Q433 CarbonylContact O-C 3.51Å; A430-Q433 PolarHBondContact O-N 3.38Å; A430-Q433 VanDerWaalsContact O-N 3.15Å; A430-G434 PolarHBondContact O-N 3.06Å; A430-I435 HydrophobicContact CB-CB 4.26Å; A430-I435 PolarHBondContact N-O 2.86Å; A430-I435 PolarHBondContact O-N 2.99Å; A430-V440 HydrophobicContact CB-CG2 3.66Å
431	S	93.1	Very high	96.6	Very high	50 Å²	50	24.6 Å²	24.6	35%	0.35	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-34.8	-166.8	65.5	0	0	0	0	115.7	F429	F429-S431 VanDerWaalsContact CE1-CB 3.45Å; F429-S431 VanDerWaalsContact CZ-CA 3.45Å; F429-S431 PolarHBondContact O-N 3.24Å
432	K	92.8	Very high	96.6	Very high	116 Å²	116	27.9 Å²	27.9	50%	0.504	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-43.5	177.6	-69	171.4	-176.5	160.1	0	111.1	D135 A430 G499	D135-K432 IonicContact OD1-NZ 3.17Å; D135-K432 IonicContact OD2-NZ 3.74Å; D135-K432 PolarHBondContact OD2-NZ 3.18Å; A430-K432 VanDerWaalsContact C-N 3.33Å; A430-K432 PolarHBondContact O-N 3.08Å; K432-G499 PolarHBondContact O-N 2.93Å; K432-G499 VanDerWaalsContact O-N 3.15Å
433	Q	95.2	Very high	96.6	Very high	69 Å²	69	28 Å²	28	32%	0.322	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-15	-178.3	-63.8	76.6	16	0	0	113	L143 A430 I435 G499	L143-Q433 HydrophobicContact CD2-CB 4.23Å; L143-Q433 HydrophobicContact CD2-CG 3.91Å; A430-Q433 HydrophobicContact CB-CB 4.42Å; A430-Q433 CarbonylContact O-C 3.51Å; A430-Q433 PolarHBondContact O-N 3.38Å; A430-Q433 VanDerWaalsContact O-N 3.15Å; Q433-I435 HydrophobicContact CB-CD1 3.79Å; Q433-I435 HydrophobicContact CB-CG1 4.03Å; Q433-G499 WeakPolarHBondContact O-CA 3.18Å
434	G	96.8	Very high	96.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.1	43.8	179.9	0	0	0	0	0	113	A430 L504 V505	A430-G434 PolarHBondContact O-N 3.06Å; G434-L504 CarbonylContact O-C 3.59Å; G434-L504 WeakPolarHBondContact O-CA 3.44Å; G434-L504 WeakPolarHBondContact O-CB 3.47Å; G434-V505 PolarHBondContact O-N 2.82Å
435	I	97.9	Very high	96.5	Very high	9 Å²	9	39.8 Å²	39.8	5%	0.046	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	117.8	-175.6	-56.5	170.9	0	0	0	109.9	L143 T146 F429 A430 Q433 D437 V440 V505	L143-I435 HydrophobicContact CD2-CD1 3.62Å; T146-I435 HydrophobicContact CG2-CD1 3.8Å; T146-I435 HydrophobicContact CG2-CG1 3.84Å; T146-I435 HydrophobicContact CG2-CG2 4.04Å; F429-I435 WeakPolarHBondContact CA-O 3.27Å; F429-I435 WeakPolarHBondContact CD2-O 3.31Å; A430-I435 HydrophobicContact CB-CB 4.26Å; A430-I435 PolarHBondContact N-O 2.86Å; A430-I435 PolarHBondContact O-N 2.99Å; Q433-I435 HydrophobicContact CB-CD1 3.79Å; Q433-I435 HydrophobicContact CB-CG1 4.03Å; I435-D437 HydrophobicContact CG2-CB 3.88Å; I435-V440 HydrophobicContact CB-CG2 4.22Å; I435-V440 HydrophobicContact CG2-CG2 3.88Å; I435-V505 HydrophobicContact CB-CG1 4.4Å; I435-V505 HydrophobicContact CG1-CG1 3.93Å; I435-V505 HydrophobicContact CG2-CG1 4.45Å
436	E	98.2	Very high	96.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	95.6	174.2	-68.5	169.6	140.6	0	0	108.3	F429 M472 L504 V505 M506 N507 W510	F429-E436 HydrophobicContact CB-CG 4.45Å; F429-E436 HydrophobicContact CD2-CG 3.43Å; F429-E436 VanDerWaalsContact CD2-CG 3.43Å; F429-E436 HydrophobicContact CE2-CG 3.89Å; F429-E436 HydrophobicContact CG-CG 4.16Å; E436-M472 VanDerWaalsContact OE1-CE 3.32Å; E436-M472 WeakPolarHBondContact OE1-CE 3.43Å; E436-L504 HydrophobicContact CG-CD1 4.45Å; E436-V505 PolarHBondContact N-O 3.49Å; E436-M506 HydrophobicContact CB-CB 4.06Å; E436-M506 HydrophobicContact CB-CG 4.03Å; E436-M506 WeakPolarHBondContact O-CA 3.4Å; E436-M506 WeakPolarHBondContact OE2-CE 3.44Å; E436-N507 PolarHBondContact O-N 3.48Å; E436-W510 VanDerWaalsContact C-CD1 3.4Å; E436-W510 HydrophobicContact CB-CD2 3.8Å; E436-W510 HydrophobicContact CB-CE3 4.32Å; E436-W510 HydrophobicContact CB-CG 3.96Å; E436-W510 HydrophobicContact CB-CZ2 4.36Å; E436-W510 HydrophobicContact CG-CZ2 4.25Å; E436-W510 WeakPolarHBondContact O-CB 3.26Å
437	D	97.6	Very high	96.7	Very high	13 Å²	13	42 Å²	42	7%	0.07	21%	0.209	C	C	.	.			trans	-144.7	130.1	-174.4	-179	-2.5	0	0	0	109.2	R428 I435 D439 V440 N507 W510	R428-D437 WeakPolarHBondContact CB-O 3.22Å; R428-D437 PolarHBondContact O-N 3.45Å; R428-D437 VanDerWaalsContact O-O 3.14Å; I435-D437 HydrophobicContact CG2-CB 3.88Å; D437-D439 PolarHBondContact O-N 3.26Å; D437-D439 VanDerWaalsContact O-N 3.12Å; D437-D439 PolarHBondContact OD1-N 3.06Å; D437-D439 VanDerWaalsContact OD1-N 3.13Å; D437-V440 HydrophobicContact CB-CB 4.06Å; D437-V440 VanDerWaalsContact O-CB 3.29Å; D437-V440 WeakPolarHBondContact O-CB 3.42Å; D437-V440 VanDerWaalsContact O-CG1 3.3Å; D437-V440 WeakPolarHBondContact O-CG1 3.42Å; D437-V440 PolarHBondContact O-N 3.38Å; D437-N507 PolarHBondContact OD1-ND2 3.33Å; D437-N507 VanDerWaalsContact OD1-ND2 3.09Å; D437-N507 PolarHBondContact OD2-ND2 2.97Å; D437-W510 VanDerWaalsContact N-CD1 3.3Å
438	V	96.6	Very high	96.7	Very high	25 Å²	25	45.7 Å²	45.7	15%	0.152	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-30.5	-178.9	-65.9	0	0	0	0	111.9	R428 D509 W510 E513	R428-V438 WeakPolarHBondContact CD-O 3.46Å; V438-D509 HydrophobicContact CG2-CB 4.39Å; V438-W510 HydrophobicContact CG1-CB 4.24Å; V438-E513 HydrophobicContact CG1-CG 4.17Å
439	D	95.9	Very high	96.6	Very high	114 Å²	114	50.9 Å²	50.9	61%	0.61	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	9.4	-179.1	-65.5	-31.4	0	0	0	113.3	D437 H441	D437-D439 PolarHBondContact O-N 3.26Å; D437-D439 VanDerWaalsContact O-N 3.12Å; D437-D439 PolarHBondContact OD1-N 3.06Å; D437-D439 VanDerWaalsContact OD1-N 3.13Å; D439-H441 PolarHBondContact O-N 2.79Å
440	V	97.6	Very high	96.6	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.266	C	S	.	.	S	Bend	trans	-67.6	-18	-177.3	84.3	0	0	0	0	113.2	L138 S139 A142 R428 A430 I435 D437	L138-V440 WeakPolarHBondContact CA-O 3.26Å; L138-V440 HydrophobicContact CD2-CG2 4.41Å; S139-V440 PolarHBondContact N-O 3.13Å; A142-V440 HydrophobicContact CB-CG2 4.44Å; R428-V440 VanDerWaalsContact C-CG1 3.49Å; R428-V440 VanDerWaalsContact O-CG1 3.31Å; R428-V440 WeakPolarHBondContact O-CG1 3.46Å; A430-V440 HydrophobicContact CB-CG2 3.66Å; I435-V440 HydrophobicContact CB-CG2 4.22Å; I435-V440 HydrophobicContact CG2-CG2 3.88Å; D437-V440 HydrophobicContact CB-CB 4.06Å; D437-V440 VanDerWaalsContact O-CB 3.29Å; D437-V440 WeakPolarHBondContact O-CB 3.42Å; D437-V440 VanDerWaalsContact O-CG1 3.3Å; D437-V440 WeakPolarHBondContact O-CG1 3.42Å; D437-V440 PolarHBondContact O-N 3.38Å
441	H	98	Very high	96.5	Very high	7 Å²	7	55.3 Å²	55.3	3%	0.032	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-126.7	127.7	179.3	-62	105	0	0	0	112.4	F134 C137 L138 R428 D439 F443	F134-H441 PolarHBondContact O-CD2 3.22Å; F134-H441 VanDerWaalsContact O-CD2 3.28Å; C137-H441 HydrophobicContact CB-CB 4.16Å; C137-H441 CarbonylContact O-C 3.46Å; C137-H441 VanDerWaalsContact O-CA 3.27Å; C137-H441 WeakPolarHBondContact O-CA 3.43Å; L138-H441 WeakPolarHBondContact CD2-NE2 3.46Å; R428-H441 PolarHBondContact NH1-O 3.44Å; D439-H441 PolarHBondContact O-N 2.79Å; H441-F443 VanDerWaalsContact C-N 3.34Å; H441-F443 HydrophobicContact CB-CD1 4.43Å; H441-F443 HydrophobicContact CB-CD2 3.82Å; H441-F443 HydrophobicContact CB-CE1 4.08Å; H441-F443 HydrophobicContact CB-CE2 3.41Å; H441-F443 VanDerWaalsContact CB-CE2 3.41Å; H441-F443 HydrophobicContact CB-CG 4.29Å; H441-F443 HydrophobicContact CB-CZ 3.53Å; H441-F443 AromaticContact CG-CE2 3.87Å; H441-F443 AromaticContact CG-CZ 3.6Å; H441-F443 AromaticContact ND1-CZ 3.94Å; H441-F443 PolarHBondContact O-N 3.18Å
442	D	97.3	Very high	96.6	Very high	69 Å²	69	53.6 Å²	53.6	37%	0.369	27%	0.266	S	S	.	.			trans	-89.3	52.3	175.2	-71.8	-50.9	0	0	0	111.9	C137 S139 K444 L445 V446	C137-D442 PolarHBondContact O-N 2.81Å; S139-D442 WeakPolarHBondContact CA-OD2 3.47Å; S139-D442 WeakPolarHBondContact CB-OD2 3.45Å; S139-D442 PolarHBondContact OG-OD2 3.29Å; D442-K444 VanDerWaalsContact C-N 3.31Å; D442-K444 PolarHBondContact O-N 3.31Å; D442-L445 HydrophobicContact CB-CB 4.02Å; D442-L445 WeakPolarHBondContact O-CB 3.34Å; D442-L445 PolarHBondContact O-N 3.07Å; D442-L445 VanDerWaalsContact O-N 3.07Å; D442-V446 PolarHBondContact O-N 3.28Å
443	F	97.6	Very high	96.7	Very high	3 Å²	3	50.2 Å²	50.2	1%	0.013	26%	0.255	C	S	.	.	H	α-helix	trans	-55	-45	-177.2	-67	-59.9	0	0	0	113	F134 C137 R428 H441 L445 V446 F447 I449 I451	F134-F443 HydrophobicContact CD1-CE1 4.07Å; F134-F443 AromaticContact CD1-CZ 3.67Å; F134-F443 HydrophobicContact CD1-CZ 3.67Å; F134-F443 HydrophobicContact CD2-CE1 4.06Å; F134-F443 HydrophobicContact CD2-CZ 4.44Å; F134-F443 HydrophobicContact CE1-CE1 4.11Å; F134-F443 AromaticContact CE1-CZ 3.54Å; F134-F443 HydrophobicContact CE1-CZ 3.54Å; F134-F443 HydrophobicContact CE2-CE1 4.09Å; F134-F443 HydrophobicContact CE2-CZ 4.32Å; F134-F443 HydrophobicContact CG-CE1 4.03Å; F134-F443 HydrophobicContact CG-CZ 4.12Å; F134-F443 HydrophobicContact CZ-CE1 4.11Å; F134-F443 AromaticContact CZ-CZ 3.88Å; F134-F443 HydrophobicContact CZ-CZ 3.88Å; C137-F443 HydrophobicContact CB-CD1 3.79Å; C137-F443 HydrophobicContact CB-CE1 3.87Å; C137-F443 WeakPolarHBondContact SG-CD1 3.27Å; R428-F443 VanDerWaalsContact NH1-CD2 3.31Å; H441-F443 VanDerWaalsContact C-N 3.34Å; H441-F443 HydrophobicContact CB-CD1 4.43Å; H441-F443 HydrophobicContact CB-CD2 3.82Å; H441-F443 HydrophobicContact CB-CE1 4.08Å; H441-F443 HydrophobicContact CB-CE2 3.41Å; H441-F443 VanDerWaalsContact CB-CE2 3.41Å; H441-F443 HydrophobicContact CB-CG 4.29Å; H441-F443 HydrophobicContact CB-CZ 3.53Å; H441-F443 AromaticContact CG-CE2 3.87Å; H441-F443 AromaticContact CG-CZ 3.6Å; H441-F443 AromaticContact ND1-CZ 3.94Å; H441-F443 PolarHBondContact O-N 3.18Å; F443-L445 VanDerWaalsContact C-N 3.26Å; F443-L445 PolarHBondContact O-N 2.75Å; F443-V446 PolarHBondContact O-N 3.04Å; F443-V446 VanDerWaalsContact O-N 3.14Å; F443-F447 HydrophobicContact CD1-CD2 4.42Å; F443-F447 HydrophobicContact CD1-CE2 4.35Å; F443-F447 PolarHBondContact O-N 3.26Å; F443-I449 CarbonylContact C-O 3.19Å; F443-I451 HydrophobicContact CB-CG1 4.39Å; F443-I451 HydrophobicContact CD1-CD1 4.15Å; F443-I451 HydrophobicContact CD1-CG1 4.32Å; F443-I451 HydrophobicContact CD2-CD1 3.99Å; F443-I451 HydrophobicContact CD2-CG1 3.48Å; F443-I451 VanDerWaalsContact CD2-CG1 3.48Å; F443-I451 HydrophobicContact CE1-CD1 4.03Å; F443-I451 HydrophobicContact CE2-CD1 3.85Å; F443-I451 HydrophobicContact CE2-CG1 3.74Å; F443-I451 HydrophobicContact CG-CD1 4.17Å; F443-I451 HydrophobicContact CG-CG1 3.82Å; F443-I451 HydrophobicContact CZ-CD1 3.9Å; F443-I451 HydrophobicContact CZ-CG1 4.29Å
444	K	96.8	Very high	96.7	Very high	141 Å²	141	51.2 Å²	51.2	61%	0.613	27%	0.266	S	S	*	.	H	α-helix	trans	-59.3	-36	178.8	-172.6	174.7	-178.9	176.8	0	112.5	D442 D448 I449 D450	D442-K444 VanDerWaalsContact C-N 3.31Å; D442-K444 PolarHBondContact O-N 3.31Å; K444-D448 WeakPolarHBondContact O-CA 3.44Å; K444-D448 PolarHBondContact O-N 3.36Å; K444-I449 PolarHBondContact N-O 3.39Å; K444-D450 HydrophobicContact CB-CB 4.27Å
445	L	97	Very high	96.6	Very high	118 Å²	118	55.9 Å²	55.9	62%	0.618	29%	0.287	S	S	*	.	H	α-helix	trans	-67.9	-38.7	178.6	-177.6	146.5	0	0	0	111.5	K120 D442 F443	K120-L445 WeakPolarHBondContact CD-O 3.42Å; D442-L445 HydrophobicContact CB-CB 4.02Å; D442-L445 WeakPolarHBondContact O-CB 3.34Å; D442-L445 PolarHBondContact O-N 3.07Å; D442-L445 VanDerWaalsContact O-N 3.07Å; F443-L445 VanDerWaalsContact C-N 3.26Å; F443-L445 PolarHBondContact O-N 2.75Å
446	V	97.5	Very high	96.6	Very high	14 Å²	14	58.2 Å²	58.2	9%	0.085	30%	0.304	C	S	.	.	H	α-helix	trans	-80.4	-44.6	-177.5	179.9	0	0	0	0	111.3	K120 A124 V136 C137 D442 F443	K120-V446 PolarHBondContact NZ-O 3.12Å; A124-V446 HydrophobicContact CB-CG1 3.95Å; V136-V446 HydrophobicContact CG1-CG1 4.4Å; V136-V446 HydrophobicContact CG1-CG2 4.39Å; C137-V446 VanDerWaalsContact SG-CG2 3.54Å; D442-V446 PolarHBondContact O-N 3.28Å; F443-V446 PolarHBondContact O-N 3.04Å; F443-V446 VanDerWaalsContact O-N 3.14Å
447	F	97	Very high	96.6	Very high	83 Å²	83	59.1 Å²	59.1	36%	0.364	31%	0.308	S	S	.	.	H	α-helix	trans	-107.3	-6.6	-168.9	-62.8	-66.9	0	0	0	115.4	P133 C137 F443 I449	P133-F447 HydrophobicContact CB-CZ 4.04Å; C137-F447 VanDerWaalsContact SG-CE2 3.54Å; F443-F447 HydrophobicContact CD1-CD2 4.42Å; F443-F447 HydrophobicContact CD1-CE2 4.35Å; F443-F447 PolarHBondContact O-N 3.26Å; F447-I449 HydrophobicContact CB-CB 4.26Å; F447-I449 PolarHBondContact O-N 2.97Å; F447-I449 VanDerWaalsContact O-N 3.08Å
448	D	96.1	Very high	96.6	Very high	98 Å²	98	59.1 Å²	59.1	52%	0.524	31%	0.31	S	S	.	.	S	Bend	trans	55.2	11.2	-162.4	-60.8	-28.3	0	0	0	114.1	K120 K444	K120-D448 WeakPolarHBondContact CE-OD1 3.3Å; K120-D448 WeakPolarHBondContact CE-OD2 3.3Å; K120-D448 IonicContact NZ-OD1 2.67Å; K120-D448 PolarHBondContact NZ-OD1 2.76Å; K120-D448 IonicContact NZ-OD2 2.77Å; K120-D448 PolarHBondContact NZ-OD2 2.77Å; K444-D448 WeakPolarHBondContact O-CA 3.44Å; K444-D448 PolarHBondContact O-N 3.36Å
449	I	95.6	Very high	96.7	Very high	114 Å²	114	60.5 Å²	60.5	59%	0.585	32%	0.316	S	S	*	.			trans	-131.6	131.4	-176.7	-61.2	169.3	0	0	0	106.3	F443 K444 F447	F443-I449 CarbonylContact C-O 3.19Å; K444-I449 PolarHBondContact N-O 3.39Å; F447-I449 HydrophobicContact CB-CB 4.26Å; F447-I449 PolarHBondContact O-N 2.97Å; F447-I449 VanDerWaalsContact O-N 3.08Å
450	D	96.5	Very high	96.7	Very high	56 Å²	56	55.2 Å²	55.2	30%	0.299	29%	0.288	S	S	.	.			trans	-100.2	156.5	172.2	-154.1	7.8	0	0	0	110.2	R428 K444 T454	R428-D450 IonicContact CZ-OD1 3.68Å; R428-D450 IonicContact NH1-OD1 2.76Å; R428-D450 IonicContact NH2-OD1 3.96Å; R428-D450 PolarHBondContact NH2-OD1 3.25Å; R428-D450 IonicContact NH2-OD2 3.28Å; K444-D450 HydrophobicContact CB-CB 4.27Å; D450-T454 HydrophobicContact CB-CG2 3.88Å; D450-T454 VanDerWaalsContact O-CG2 3.3Å; D450-T454 WeakPolarHBondContact O-CG2 3.31Å
451	I	96	Very high	96.7	Very high	62 Å²	62	55.4 Å²	55.4	32%	0.318	29%	0.289	S	S	.	.			trans	-137.6	166.2	-175.7	61.1	166	0	0	0	111	F134 R428 F443 T453	F134-I451 HydrophobicContact CZ-CD1 3.99Å; R428-I451 PolarHBondContact NH2-O 3.17Å; F443-I451 HydrophobicContact CB-CG1 4.39Å; F443-I451 HydrophobicContact CD1-CD1 4.15Å; F443-I451 HydrophobicContact CD1-CG1 4.32Å; F443-I451 HydrophobicContact CD2-CD1 3.99Å; F443-I451 HydrophobicContact CD2-CG1 3.48Å; F443-I451 VanDerWaalsContact CD2-CG1 3.48Å; F443-I451 HydrophobicContact CE1-CD1 4.03Å; F443-I451 HydrophobicContact CE2-CD1 3.85Å; F443-I451 HydrophobicContact CE2-CG1 3.74Å; F443-I451 HydrophobicContact CG-CD1 4.17Å; F443-I451 HydrophobicContact CG-CG1 3.82Å; F443-I451 HydrophobicContact CZ-CD1 3.9Å; F443-I451 HydrophobicContact CZ-CG1 4.29Å; I451-T453 PolarHBondContact O-N 2.86Å; I451-T453 PolarHBondContact O-OG1 2.87Å
452	Q	95.1	Very high	96.7	Very high	14 Å²	14	59.3 Å²	59.3	7%	0.065	31%	0.309	C	S	.	.	S	Bend	trans	66.3	-33.9	173.3	-52.7	176.7	-16.8	0	0	116.5	K427 R460 F514	K427-Q452 HydrophobicContact CD-CB 4.18Å; K427-Q452 HydrophobicContact CD-CG 3.7Å; Q452-R460 WeakPolarHBondContact O-CD 3.5Å; Q452-F514 HydrophobicContact CB-CZ 4.35Å
453	T	95	Very high	96.7	Very high	45 Å²	45	64.1 Å²	64.1	28%	0.276	32%	0.323	S	S	.	.	S	Bend	trans	-115.9	6.6	-179.1	50.9	0	0	0	0	112.5	R428 I451 F455 F514	R428-T453 HydrophobicContact CG-CG2 4.45Å; R428-T453 PolarHBondContact NH2-OG1 2.88Å; I451-T453 PolarHBondContact O-N 2.86Å; I451-T453 PolarHBondContact O-OG1 2.87Å; T453-F455 VanDerWaalsContact C-N 3.25Å; T453-F455 PolarHBondContact O-N 3.28Å; T453-F514 HydrophobicContact CG2-CE2 4.29Å; T453-F514 HydrophobicContact CG2-CZ 3.89Å
454	T	95.4	Very high	96.6	Very high	90 Å²	90	67.2 Å²	67.2	55%	0.552	36%	0.356	S	S	*	.	S	Bend	trans	-75.7	-13.8	175.7	54.7	0	0	0	0	113.5	D450	D450-T454 HydrophobicContact CB-CG2 3.88Å; D450-T454 VanDerWaalsContact O-CG2 3.3Å; D450-T454 WeakPolarHBondContact O-CG2 3.31Å
455	F	93.9	Very high	96.6	Very high	98 Å²	98	63.9 Å²	63.9	43%	0.43	34%	0.343	S	S	.	.	S	Bend	trans	-108.1	154	173.1	-86.8	-53.4	0	0	0	110.2	T453 D459 R460	T453-F455 VanDerWaalsContact C-N 3.25Å; T453-F455 PolarHBondContact O-N 3.28Å; F455-D459 HydrophobicContact CB-CB 3.96Å; F455-D459 HydrophobicContact CD1-CB 3.62Å; F455-D459 HydrophobicContact CE1-CB 4.37Å; F455-D459 HydrophobicContact CG-CB 3.96Å; F455-R460 HydrophobicContact CB-CG 3.56Å; F455-R460 PolarHBondContact O-NH1 3.22Å
456	S	97.4	Very high	96.5	Very high	58 Å²	58	58.5 Å²	58.5	41%	0.406	32%	0.315	S	S	.	.			trans	-63.3	155.9	164.3	74.7	0	0	0	0	110.4	A458 D459 R460	S456-A458 PolarHBondContact O-N 3.49Å; S456-D459 PolarHBondContact O-N 3.4Å; S456-D459 VanDerWaalsContact O-N 3.11Å; S456-D459 PolarHBondContact OG-N 3.13Å; S456-D459 VanDerWaalsContact OG-N 3.14Å; S456-D459 PolarHBondContact OG-OD2 2.86Å; S456-R460 WeakPolarHBondContact O-CG 3.17Å; S456-R460 PolarHBondContact O-N 2.97Å
457	K	98.1	Very high	96.4	Very high	19 Å²	19	58.8 Å²	58.8	8%	0.083	32%	0.319	C	S	.	.	H	α-helix	trans	-55.1	-36.7	175.3	-174.8	174.6	-177.6	-178.9	0	113.1	P371 R460 L461 R512 E513 G515 F516	P371-K457 HydrophobicContact CG-CB 3.9Å; P371-K457 HydrophobicContact CG-CD 3.99Å; P371-K457 HydrophobicContact CG-CG 3.77Å; K457-R460 PolarHBondContact O-N 3.13Å; K457-L461 PolarHBondContact O-N 2.88Å; K457-R512 VanDerWaalsContact CD-O 3.25Å; K457-R512 WeakPolarHBondContact CD-O 3.29Å; K457-R512 PolarHBondContact NZ-O 3.21Å; K457-E513 WeakPolarHBondContact CD-O 3.36Å; K457-G515 WeakPolarHBondContact CE-O 3.36Å; K457-G515 PolarHBondContact NZ-O 2.75Å; K457-F516 HydrophobicContact CD-CE1 4.42Å; K457-F516 VanDerWaalsContact CE-CE1 3.4Å; K457-F516 HydrophobicContact CG-CE1 4.25Å
458	A	98	Very high	96.3	Very high	13 Å²	13	54.9 Å²	54.9	11%	0.107	30%	0.302	C	S	.	.	H	α-helix	trans	-63	-48.1	175.5	0	0	0	0	0	112	P371 S456 R460 L461 I462	P371-A458 HydrophobicContact CB-CB 4.39Å; P371-A458 HydrophobicContact CG-CB 4.17Å; P371-A458 WeakPolarHBondContact O-CB 3.48Å; S456-A458 PolarHBondContact O-N 3.49Å; A458-R460 VanDerWaalsContact C-N 3.28Å; A458-R460 PolarHBondContact O-N 3.12Å; A458-L461 PolarHBondContact O-N 2.78Å; A458-I462 VanDerWaalsContact O-CG1 3.31Å; A458-I462 WeakPolarHBondContact O-CG1 3.37Å; A458-I462 PolarHBondContact O-N 3.12Å
459	D	98	Very high	96.3	Very high	55 Å²	55	52.2 Å²	52.2	29%	0.294	29%	0.289	S	S	.	.	H	α-helix	trans	-62.4	-38	177.6	-64.8	-46	0	0	0	111.1	F455 S456 L461 I462 Y463	F455-D459 HydrophobicContact CB-CB 3.96Å; F455-D459 HydrophobicContact CD1-CB 3.62Å; F455-D459 HydrophobicContact CE1-CB 4.37Å; F455-D459 HydrophobicContact CG-CB 3.96Å; S456-D459 PolarHBondContact O-N 3.4Å; S456-D459 VanDerWaalsContact O-N 3.11Å; S456-D459 PolarHBondContact OG-N 3.13Å; S456-D459 VanDerWaalsContact OG-N 3.14Å; S456-D459 PolarHBondContact OG-OD2 2.86Å; D459-L461 VanDerWaalsContact C-N 3.31Å; D459-L461 PolarHBondContact O-N 2.67Å; D459-I462 PolarHBondContact O-N 3.2Å; D459-Y463 HydrophobicContact CB-CD2 4.27Å; D459-Y463 WeakPolarHBondContact O-CB 3.19Å; D459-Y463 WeakPolarHBondContact O-CD2 3.27Å; D459-Y463 PolarHBondContact O-N 3.41Å
460	R	97.9	Very high	96.4	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.008	26%	0.263	C	S	.	.	H	α-helix	trans	-62.9	-37.2	177.8	-64.6	-174.3	-53.5	-108.8	9	112.9	Q452 F455 S456 K457 A458 G464 E465 S466 E513	Q452-R460 WeakPolarHBondContact O-CD 3.5Å; F455-R460 HydrophobicContact CB-CG 3.56Å; F455-R460 PolarHBondContact O-NH1 3.22Å; S456-R460 WeakPolarHBondContact O-CG 3.17Å; S456-R460 PolarHBondContact O-N 2.97Å; K457-R460 PolarHBondContact O-N 3.13Å; A458-R460 VanDerWaalsContact C-N 3.28Å; A458-R460 PolarHBondContact O-N 3.12Å; R460-G464 PolarHBondContact O-N 2.95Å; R460-E465 HydrophobicContact CB-CB 4.1Å; R460-E465 HydrophobicContact CB-CG 4.41Å; R460-E465 HydrophobicContact CG-CB 4.16Å; R460-E465 HydrophobicContact CG-CG 4.07Å; R460-E465 PolarHBondContact O-N 3.49Å; R460-S466 PolarHBondContact O-N 3.23Å; R460-S466 VanDerWaalsContact O-N 3.08Å; R460-E513 IonicContact CZ-OE2 3.96Å; R460-E513 IonicContact NH1-OE2 3.19Å; R460-E513 PolarHBondContact NH1-OE2 3.09Å; R460-E513 PolarHBondContact NH2-O 2.93Å; R460-E513 IonicContact NH2-OE2 2.76Å; R460-E513 PolarHBondContact NH2-OE2 2.86Å
461	L	97.3	Very high	96.5	Very high	5 Å²	5	44.5 Å²	44.5	3%	0.026	25%	0.249	C	C	.	.	H	α-helix	trans	-68.6	-43	173	-72.9	164.3	0	0	0	111.8	P371 R372 K457 A458 D459 F516 P545 M546	P371-L461 HydrophobicContact CG-CD1 4.42Å; R372-L461 HydrophobicContact CG-CB 4.09Å; R372-L461 HydrophobicContact CG-CD1 4.23Å; K457-L461 PolarHBondContact O-N 2.88Å; A458-L461 PolarHBondContact O-N 2.78Å; D459-L461 VanDerWaalsContact C-N 3.31Å; D459-L461 PolarHBondContact O-N 2.67Å; L461-F516 HydrophobicContact CD1-CD1 4.5Å; L461-F516 HydrophobicContact CD1-CE1 4.01Å; L461-F516 HydrophobicContact CD2-CD1 4.3Å; L461-F516 HydrophobicContact CD2-CE1 3.73Å; L461-F516 HydrophobicContact CD2-CZ 4.31Å; L461-F516 HydrophobicContact CG-CE1 4.03Å; L461-P545 HydrophobicContact CB-CG 4.32Å; L461-P545 HydrophobicContact CD2-CB 3.98Å; L461-P545 HydrophobicContact CD2-CG 4.11Å; L461-M546 HydrophobicContact CD2-SD 4.49Å
462	I	97.2	Very high	96.6	Very high	88 Å²	88	41.7 Å²	41.7	45%	0.451	23%	0.234	S	C	.	.	H	α-helix	trans	-69	-42.6	-177	-68.4	164.3	0	0	0	111.8	R372 A458 D459	R372-I462 HydrophobicContact CG-CD1 4.17Å; R372-I462 HydrophobicContact CG-CG1 3.87Å; A458-I462 VanDerWaalsContact O-CG1 3.31Å; A458-I462 WeakPolarHBondContact O-CG1 3.37Å; A458-I462 PolarHBondContact O-N 3.12Å; D459-I462 PolarHBondContact O-N 3.2Å
463	Y	97.2	Very high	96.8	Very high	170 Å²	170	41 Å²	41	67%	0.667	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.2	7.7	-174.2	-69.8	-87.2	0	0	0	113.6	D459	D459-Y463 HydrophobicContact CB-CD2 4.27Å; D459-Y463 WeakPolarHBondContact O-CB 3.19Å; D459-Y463 WeakPolarHBondContact O-CD2 3.27Å; D459-Y463 PolarHBondContact O-N 3.41Å
464	G	95.4	Very high	97	Very high	68 Å²	68	38.9 Å²	38.9	70%	0.701	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.2	24	172.6	0	0	0	0	0	115.3	R460	R460-G464 PolarHBondContact O-N 2.95Å
465	E	96	Very high	97.1	Very high	72 Å²	72	34.6 Å²	34.6	34%	0.336	19%	0.191	S	C	.	.	S	Bend	trans	-84.1	-25.6	174.9	174.3	54.4	-148.6	0	0	112	K427 R460	K427-E465 WeakPolarHBondContact CE-O 3.39Å; K427-E465 PolarHBondContact NZ-O 2.81Å; K427-E465 IonicContact NZ-OE1 2.65Å; K427-E465 PolarHBondContact NZ-OE1 2.89Å; R460-E465 HydrophobicContact CB-CB 4.1Å; R460-E465 HydrophobicContact CB-CG 4.41Å; R460-E465 HydrophobicContact CG-CB 4.16Å; R460-E465 HydrophobicContact CG-CG 4.07Å; R460-E465 PolarHBondContact O-N 3.49Å
466	S	96.1	Very high	97.3	Very high	5 Å²	5	29.9 Å²	29.9	4%	0.035	17%	0.171	C	C	.	.			trans	-146.6	141.9	-179.8	-166.4	0	0	0	0	110.7	R460	R460-S466 PolarHBondContact O-N 3.23Å; R460-S466 VanDerWaalsContact O-N 3.08Å
467	A	95.5	Very high	97.4	Very high	20 Å²	20	27.1 Å²	27.1	17%	0.165	15%	0.152	C	C	.	.			trans	-152.7	173.5	168	0	0	0	0	0	108.5	E424 T469 P545 T548	E424-A467 VanDerWaalsContact CB-O 3.29Å; E424-A467 WeakPolarHBondContact CB-O 3.32Å; A467-T469 PolarHBondContact O-N 2.92Å; A467-P545 HydrophobicContact CB-CB 3.91Å; A467-T548 WeakPolarHBondContact CB-OG1 3.06Å
468	M	94.7	Very high	97.4	Very high	1 Å²	1	27 Å²	27	1%	0.005	15%	0.153	C	C	.	.			trans	-73.5	121.2	177.5	-172.6	-166.4	-42.4	0	0	110.1	F516 E517 M546 T548 L549	M468-F516 HydrophobicContact CB-CB 4.35Å; M468-F516 HydrophobicContact CB-CD2 4.14Å; M468-F516 HydrophobicContact CB-CG 4.46Å; M468-F516 HydrophobicContact CE-CB 3.78Å; M468-E517 HydrophobicContact CE-CB 3.55Å; M468-E517 HydrophobicContact CE-CG 4.45Å; M468-E517 WeakPolarHBondContact CE-OE2 3.24Å; M468-E517 HydrophobicContact SD-CB 4.2Å; M468-M546 HydrophobicContact CE-CE 4.31Å; M468-T548 WeakPolarHBondContact CB-O 3.41Å; M468-T548 PolarHBondContact N-OG1 3.36Å; M468-T548 CarbonylContact O-C 2.85Å; M468-T548 WeakPolarHBondContact O-CB 3.05Å; M468-T548 PolarHBondContact O-OG1 2.89Å; M468-L549 HydrophobicContact CG-CD1 4.44Å; M468-L549 HydrophobicContact CG-CG 4.26Å; M468-L549 WeakPolarHBondContact O-CA 3.27Å; M468-L549 HydrophobicContact SD-CB 4.36Å; M468-L549 HydrophobicContact SD-CD1 3.53Å; M468-L549 VanDerWaalsContact SD-CD1 3.53Å; M468-L549 HydrophobicContact SD-CG 3.92Å
469	T	96.2	Very high	97.4	Very high	42 Å²	42	27 Å²	27	26%	0.258	15%	0.152	S	C	.	.			trans	-120.9	-20.1	-174.3	55.6	0	0	0	0	113.6	C423 E424 V425 A467 A550	C423-T469 PolarHBondContact O-N 2.74Å; E424-T469 WeakPolarHBondContact CA-OG1 3.49Å; E424-T469 VanDerWaalsContact CD-OG1 3.22Å; E424-T469 PolarHBondContact OE1-OG1 3.41Å; E424-T469 WeakPolarHBondContact OE2-CG2 3.36Å; E424-T469 PolarHBondContact OE2-OG1 3.16Å; V425-T469 PolarHBondContact N-OG1 2.93Å; A467-T469 PolarHBondContact O-N 2.92Å; T469-A550 WeakPolarHBondContact O-CA 3.37Å; T469-A550 PolarHBondContact O-N 3.48Å
470	H	97.8	Very high	97.3	Very high	8 Å²	8	27 Å²	27	4%	0.037	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	143.4	-175.7	-165.6	58.3	0	0	0	112.2	C170 C423 V425 M472 N492 W494	C170-H470 WeakPolarHBondContact CB-CE1 3.37Å; C170-H470 WeakPolarHBondContact CB-ND1 3.31Å; C170-H470 PolarHBondContact SG-ND1 3.3Å; C423-H470 PolarHBondContact N-O 3Å; C423-H470 PolarHBondContact O-N 3.09Å; V425-H470 HydrophobicContact CB-CB 3.82Å; V425-H470 HydrophobicContact CG1-CB 3.47Å; V425-H470 VanDerWaalsContact CG1-CB 3.47Å; H470-M472 WeakPolarHBondContact CD2-CG 3.4Å; H470-N492 PolarHBondContact NE2-OD1 3.41Å; H470-W494 AromaticContact CD2-CZ2 3.83Å; H470-W494 AromaticContact CE1-CE2 3.75Å; H470-W494 AromaticContact CE1-CZ2 3.75Å; H470-W494 AromaticContact CE1-NE1 3.42Å; H470-W494 PolarHBondContact CE1-NE1 2.82Å; H470-W494 AromaticContact NE2-CE2 3.65Å; H470-W494 AromaticContact NE2-CZ2 3.51Å; H470-W494 AromaticContact NE2-NE1 3.71Å
471	A	98.4	Very high	97.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	138.6	174.5	0	0	0	0	0	111.3	C170 W171 A174 W420 F421 L549	C170-A471 PolarHBondContact SG-N 3.04Å; C170-A471 VanDerWaalsContact SG-N 3.36Å; W171-A471 HydrophobicContact CB-CB 4.22Å; A174-A471 HydrophobicContact CB-CB 4.19Å; W420-A471 HydrophobicContact CH2-CB 4.23Å; W420-A471 HydrophobicContact CZ2-CB 3.42Å; W420-A471 VanDerWaalsContact CZ2-CB 3.42Å; F421-A471 CarbonylContact O-C 3.41Å; F421-A471 WeakPolarHBondContact O-CA 3.3Å; A471-L549 HydrophobicContact CB-CD1 4.14Å; A471-L549 HydrophobicContact CB-CD2 3.88Å
472	M	98.5	Very high	96.9	Very high	2 Å²	2	42 Å²	42	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	-174.5	-179.6	-62.9	-174.3	-75.8	0	0	110.1	F421 C423 V425 E436 H470 V490 N492 L504	F421-M472 HydrophobicContact CD1-CB 4.35Å; F421-M472 WeakPolarHBondContact CD1-O 3.29Å; F421-M472 HydrophobicContact CE1-CB 3.59Å; F421-M472 HydrophobicContact CE2-CB 4.45Å; F421-M472 HydrophobicContact CE2-CE 4.03Å; F421-M472 HydrophobicContact CZ-CB 3.67Å; F421-M472 HydrophobicContact CZ-CE 3.7Å; F421-M472 PolarHBondContact N-O 3Å; F421-M472 PolarHBondContact O-N 3.39Å; C423-M472 VanDerWaalsContact SG-CE 3.57Å; V425-M472 HydrophobicContact CB-CE 4.49Å; V425-M472 HydrophobicContact CG2-CE 3.94Å; V425-M472 HydrophobicContact CG2-SD 4.47Å; E436-M472 VanDerWaalsContact OE1-CE 3.32Å; E436-M472 WeakPolarHBondContact OE1-CE 3.43Å; H470-M472 WeakPolarHBondContact CD2-CG 3.4Å; M472-V490 HydrophobicContact CB-CG1 3.55Å; M472-V490 HydrophobicContact CE-CG1 3.88Å; M472-V490 HydrophobicContact CG-CG1 4.13Å; M472-V490 HydrophobicContact SD-CG1 3.51Å; M472-V490 VanDerWaalsContact SD-CG1 3.51Å; M472-N492 HydrophobicContact SD-CB 3.93Å; M472-L504 HydrophobicContact CE-CD1 4.16Å; M472-L504 HydrophobicContact SD-CD1 3.72Å
473	V	98.7	Very high	96.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	127.5	-177.1	-179.7	0	0	0	0	111.1	A174 N177 C178 A418 V419 T475 V490 E491	A174-V473 HydrophobicContact CB-CG2 3.8Å; A174-V473 WeakPolarHBondContact O-CG2 3.34Å; N177-V473 HydrophobicContact CB-CG2 3.86Å; C178-V473 VanDerWaalsContact SG-CG1 3.53Å; A418-V473 HydrophobicContact CB-CG1 3.7Å; V419-V473 CarbonylContact O-C 3.42Å; V419-V473 WeakPolarHBondContact O-CA 3.42Å; V473-T475 HydrophobicContact CG1-CG2 4.12Å; V473-V490 CarbonylContact O-C 3.54Å; V473-V490 VanDerWaalsContact O-CA 3.3Å; V473-V490 WeakPolarHBondContact O-CA 3.43Å; V473-E491 HydrophobicContact CB-CB 4.22Å; V473-E491 PolarHBondContact N-O 3.35Å; V473-E491 PolarHBondContact O-N 3.31Å
474	F	98.8	Very high	96.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	130.1	165.6	-65	-56.2	0	0	0	110.9	V409 L413 A418 V419 F421 L488 R489 V490 M506 F511	V409-F474 HydrophobicContact CG1-CD2 3.89Å; V409-F474 HydrophobicContact CG1-CE2 4.46Å; V409-F474 HydrophobicContact CG1-CG 4.43Å; L413-F474 HydrophobicContact CD1-CB 4.09Å; L413-F474 HydrophobicContact CD2-CB 4.22Å; L413-F474 WeakPolarHBondContact CD2-O 3.36Å; A418-F474 VanDerWaalsContact CA-O 3.32Å; A418-F474 WeakPolarHBondContact CA-O 3.32Å; A418-F474 WeakPolarHBondContact CB-O 3.42Å; V419-F474 HydrophobicContact CB-CB 4.29Å; V419-F474 HydrophobicContact CB-CD2 4.36Å; V419-F474 HydrophobicContact CG1-CD2 4.4Å; V419-F474 PolarHBondContact N-O 2.79Å; V419-F474 VanDerWaalsContact N-O 3.09Å; V419-F474 PolarHBondContact O-N 3.47Å; F421-F474 HydrophobicContact CB-CD2 4.11Å; F421-F474 HydrophobicContact CB-CE2 3.67Å; F421-F474 HydrophobicContact CB-CZ 4.41Å; F421-F474 HydrophobicContact CD1-CD1 4.01Å; F421-F474 AromaticContact CD1-CD2 3.43Å; F421-F474 HydrophobicContact CD1-CD2 3.43Å; F421-F474 VanDerWaalsContact CD1-CD2 3.43Å; F421-F474 AromaticContact CD1-CE1 3.92Å; F421-F474 HydrophobicContact CD1-CE1 3.92Å; F421-F474 AromaticContact CD1-CE2 3.34Å; F421-F474 HydrophobicContact CD1-CE2 3.34Å; F421-F474 AromaticContact CD1-CG 3.77Å; F421-F474 HydrophobicContact CD1-CG 3.77Å; F421-F474 AromaticContact CD1-CZ 3.58Å; F421-F474 HydrophobicContact CD1-CZ 3.58Å; F421-F474 AromaticContact CD2-CE2 3.9Å; F421-F474 HydrophobicContact CD2-CE2 3.9Å; F421-F474 AromaticContact CD2-CZ 3.76Å; F421-F474 HydrophobicContact CD2-CZ 3.76Å; F421-F474 AromaticContact CE1-CD1 3.63Å; F421-F474 HydrophobicContact CE1-CD1 3.63Å; F421-F474 AromaticContact CE1-CD2 3.95Å; F421-F474 HydrophobicContact CE1-CD2 3.95Å; F421-F474 AromaticContact CE1-CE1 3.47Å; F421-F474 HydrophobicContact CE1-CE1 3.47Å; F421-F474 VanDerWaalsContact CE1-CE1 3.47Å; F421-F474 AromaticContact CE1-CE2 3.82Å; F421-F474 HydrophobicContact CE1-CE2 3.82Å; F421-F474 AromaticContact CE1-CG 3.86Å; F421-F474 HydrophobicContact CE1-CG 3.86Å; F421-F474 AromaticContact CE1-CZ 3.56Å; F421-F474 HydrophobicContact CE1-CZ 3.56Å; F421-F474 HydrophobicContact CE2-CE1 4.19Å; F421-F474 HydrophobicContact CE2-CE2 4.33Å; F421-F474 AromaticContact CE2-CZ 3.76Å; F421-F474 HydrophobicContact CE2-CZ 3.76Å; F421-F474 AromaticContact CG-CD2 3.88Å; F421-F474 HydrophobicContact CG-CD2 3.88Å; F421-F474 HydrophobicContact CG-CE1 4.42Å; F421-F474 AromaticContact CG-CE2 3.35Å; F421-F474 HydrophobicContact CG-CE2 3.35Å; F421-F474 AromaticContact CG-CZ 3.66Å; F421-F474 HydrophobicContact CG-CZ 3.66Å; F421-F474 HydrophobicContact CZ-CD1 4.22Å; F421-F474 AromaticContact CZ-CE1 3.61Å; F421-F474 HydrophobicContact CZ-CE1 3.61Å; F421-F474 HydrophobicContact CZ-CE2 4.28Å; F421-F474 AromaticContact CZ-CZ 3.64Å; F421-F474 HydrophobicContact CZ-CZ 3.64Å; F474-L488 HydrophobicContact CD1-CB 3.57Å; F474-L488 HydrophobicContact CD1-CD2 3.71Å; F474-L488 HydrophobicContact CD1-CG 4.22Å; F474-L488 HydrophobicContact CD2-CD2 4.12Å; F474-L488 HydrophobicContact CE1-CB 3.62Å; F474-L488 HydrophobicContact CE1-CD1 4.36Å; F474-L488 HydrophobicContact CE1-CD2 3.79Å; F474-L488 HydrophobicContact CE1-CG 4.11Å; F474-L488 HydrophobicContact CE2-CD2 4.18Å; F474-L488 HydrophobicContact CG-CB 4.49Å; F474-L488 HydrophobicContact CG-CD2 3.89Å; F474-L488 HydrophobicContact CZ-CD2 4.03Å; F474-R489 WeakPolarHBondContact CA-O 3.42Å; F474-V490 HydrophobicContact CD1-CG2 3.78Å; F474-V490 HydrophobicContact CE1-CG2 3.66Å; F474-M506 HydrophobicContact CE1-CE 4.26Å; F474-M506 HydrophobicContact CE1-SD 3.78Å; F474-M506 HydrophobicContact CZ-CE 4.44Å; F474-M506 HydrophobicContact CZ-SD 3.86Å; F474-F511 HydrophobicContact CE2-CD2 4.14Å; F474-F511 AromaticContact CE2-CE2 3.77Å; F474-F511 HydrophobicContact CE2-CE2 3.77Å; F474-F511 HydrophobicContact CE2-CZ 4.46Å; F474-F511 AromaticContact CZ-CD2 3.61Å; F474-F511 HydrophobicContact CZ-CD2 3.61Å; F474-F511 AromaticContact CZ-CE2 3.69Å; F474-F511 HydrophobicContact CZ-CE2 3.69Å
475	T	98.6	Very high	96.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	-11.2	179	64.9	0	0	0	0	113.6	V154 E157 V473 R489 E491 Y503	V154-T475 WeakPolarHBondContact CG1-O 3.33Å; V154-T475 WeakPolarHBondContact CG2-O 3.14Å; V154-T475 PolarHBondContact N-O 3.38Å; E157-T475 WeakPolarHBondContact OE1-CB 3.36Å; E157-T475 PolarHBondContact OE1-OG1 2.94Å; V473-T475 HydrophobicContact CG1-CG2 4.12Å; T475-R489 PolarHBondContact N-O 3.15Å; T475-E491 HydrophobicContact CG2-CB 3.94Å; T475-Y503 HydrophobicContact CG2-CE1 4.19Å
476	A	98.5	Very high	96.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	159.6	178.6	0	0	0	0	0	111.1	F150 Y152 K153 L488 R489	F150-A476 HydrophobicContact CB-CB 3.64Å; F150-A476 HydrophobicContact CD1-CB 4.19Å; F150-A476 HydrophobicContact CD2-CB 4.08Å; F150-A476 HydrophobicContact CG-CB 3.7Å; Y152-A476 CarbonylContact O-C 3.51Å; Y152-A476 VanDerWaalsContact O-CA 3.24Å; Y152-A476 WeakPolarHBondContact O-CA 3.33Å; Y152-A476 VanDerWaalsContact O-CB 3.23Å; Y152-A476 WeakPolarHBondContact O-CB 3.36Å; K153-A476 HydrophobicContact CB-CB 3.95Å; K153-A476 HydrophobicContact CG-CB 3.86Å; A476-L488 CarbonylContact O-C 3.53Å; A476-L488 WeakPolarHBondContact O-CA 3.31Å; A476-R489 HydrophobicContact CB-CB 3.41Å; A476-R489 VanDerWaalsContact CB-CB 3.41Å; A476-R489 HydrophobicContact CB-CG 4.33Å; A476-R489 PolarHBondContact O-N 3.4Å
477	V	98.5	Very high	96.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	142	174.3	61.2	0	0	0	0	109.9	N151 Y152 T410 L413 V479 A485 K487 L488	N151-V477 PolarHBondContact OD1-O 3.39Å; N151-V477 VanDerWaalsContact OD1-O 3.06Å; Y152-V477 PolarHBondContact N-O 3.35Å; Y152-V477 PolarHBondContact O-N 2.86Å; Y152-V477 VanDerWaalsContact O-O 3.1Å; T410-V477 HydrophobicContact CG2-CG1 4.4Å; L413-V477 HydrophobicContact CB-CG1 4Å; L413-V477 HydrophobicContact CD1-CB 3.79Å; L413-V477 HydrophobicContact CD1-CG1 3.97Å; V477-V479 HydrophobicContact CG1-CG1 4.41Å; V477-V479 HydrophobicContact CG2-CG1 4Å; V477-A485 HydrophobicContact CG2-CB 3.83Å; V477-K487 CarbonylContact C-O 3.57Å; V477-K487 WeakPolarHBondContact CA-O 3.29Å; V477-L488 HydrophobicContact CG2-CG 4.4Å
478	S	98.2	Very high	97.1	Very high	16 Å²	16	32.6 Å²	32.6	11%	0.112	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	120.7	161.5	-76.1	0	0	0	0	109.4	F150 N151 Q486 K487	F150-S478 WeakPolarHBondContact CA-OG 3.4Å; N151-S478 PolarHBondContact N-OG 3.2Å; N151-S478 VanDerWaalsContact OD1-CA 3.22Å; N151-S478 WeakPolarHBondContact OD1-CA 3.32Å; S478-Q486 PolarHBondContact O-N 3.17Å; S478-K487 PolarHBondContact N-O 3.21Å; S478-K487 WeakPolarHBondContact OG-CE 3.45Å
479	V	97.4	Very high	97.3	Very high	14 Å²	14	33.2 Å²	33.2	9%	0.085	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	149.2	171	-58.1	0	0	0	0	111.5	N151 Y152 T410 V477 V484	N151-V479 PolarHBondContact ND2-N 3.37Å; N151-V479 PolarHBondContact ND2-O 2.98Å; N151-V479 PolarHBondContact OD1-N 2.98Å; Y152-V479 HydrophobicContact CD2-CG2 3.86Å; Y152-V479 HydrophobicContact CE2-CG2 3.46Å; Y152-V479 VanDerWaalsContact CE2-CG2 3.46Å; T410-V479 HydrophobicContact CG2-CG1 3.62Å; V477-V479 HydrophobicContact CG1-CG1 4.41Å; V477-V479 HydrophobicContact CG2-CG1 4Å; V479-V484 CarbonylContact C-O 3.6Å; V479-V484 WeakPolarHBondContact CA-O 3.16Å
480	D	96.1	Very high	97.4	Very high	54 Å²	54	31.2 Å²	31.2	29%	0.289	17%	0.17	S	C	.	.			trans	-77.1	-175.8	171.1	64.7	27.2	0	0	0	112.5	S482 G483 V484 Q486	D480-S482 PolarHBondContact O-N 2.92Å; D480-S482 WeakPolarHBondContact OD1-CA 3.37Å; D480-S482 WeakPolarHBondContact OD1-CB 3.28Å; D480-S482 PolarHBondContact OD1-N 3.01Å; D480-S482 PolarHBondContact OD1-OG 3.18Å; D480-S482 PolarHBondContact OD2-OG 3.37Å; D480-G483 PolarHBondContact O-N 3.04Å; D480-G483 PolarHBondContact OD1-N 3.44Å; D480-V484 PolarHBondContact N-O 2.96Å; D480-V484 PolarHBondContact OD1-N 3.45Å; D480-Q486 HydrophobicContact CB-CG 4.05Å; D480-Q486 PolarHBondContact OD2-NE2 3.05Å
481	K	94.4	Very high	97.4	Very high	222 Å²	222	30.9 Å²	30.9	97%	0.965	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-24.6	179.3	-65.7	-177.9	-179.2	177.6	0	113.5	G483	K481-G483 VanDerWaalsContact C-N 3.3Å
482	S	93.2	Very high	97.4	Very high	99 Å²	99	31 Å²	31	69%	0.692	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-7.2	173.1	33	0	0	0	0	113.1	D480	D480-S482 PolarHBondContact O-N 2.92Å; D480-S482 WeakPolarHBondContact OD1-CA 3.37Å; D480-S482 WeakPolarHBondContact OD1-CB 3.28Å; D480-S482 PolarHBondContact OD1-N 3.01Å; D480-S482 PolarHBondContact OD1-OG 3.18Å; D480-S482 PolarHBondContact OD2-OG 3.37Å
483	G	93.2	Very high	97.4	Very high	30 Å²	30	31 Å²	31	31%	0.309	17%	0.169	S	C	.	.	S	Bend	trans	86.5	9.7	-178.7	0	0	0	0	0	114.3	D480 K481	D480-G483 PolarHBondContact O-N 3.04Å; D480-G483 PolarHBondContact OD1-N 3.44Å; K481-G483 VanDerWaalsContact C-N 3.3Å
484	V	95.7	Very high	97.3	Very high	63 Å²	63	33.4 Å²	33.4	38%	0.382	18%	0.178	S	C	.	.			trans	-82	134.1	178	-178.5	0	0	0	0	109.5	V479 D480	V479-V484 CarbonylContact C-O 3.6Å; V479-V484 WeakPolarHBondContact CA-O 3.16Å; D480-V484 PolarHBondContact N-O 2.96Å; D480-V484 PolarHBondContact OD1-N 3.45Å
485	A	97.6	Very high	97.2	Very high	6 Å²	6	33.7 Å²	33.7	5%	0.05	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	132	177.6	0	0	0	0	0	111.3	V477 A508	V477-A485 HydrophobicContact CG2-CB 3.83Å; A485-A508 WeakPolarHBondContact O-CB 3.41Å
486	Q	97.7	Very high	97.1	Very high	100 Å²	100	38.1 Å²	38.1	47%	0.467	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	-40.8	-179.6	-63.6	-62.7	-39.1	0	0	111.3	S478 D480 A508	S478-Q486 PolarHBondContact O-N 3.17Å; D480-Q486 HydrophobicContact CB-CG 4.05Å; D480-Q486 PolarHBondContact OD2-NE2 3.05Å; Q486-A508 PolarHBondContact O-N 3Å
487	K	97.8	Very high	96.9	Very high	28 Å²	28	45.6 Å²	45.6	12%	0.122	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	155.6	174.1	60.6	174.2	-175.7	178.7	0	111.7	N147 V149 F150 V477 S478 V505 M506	N147-K487 PolarHBondContact O-NZ 3.39Å; N147-K487 PolarHBondContact OD1-NZ 2.76Å; V149-K487 WeakPolarHBondContact O-CE 3.34Å; V149-K487 PolarHBondContact O-NZ 3.21Å; F150-K487 HydrophobicContact CD1-CG 4.28Å; F150-K487 HydrophobicContact CE1-CD 4.1Å; F150-K487 HydrophobicContact CE1-CG 4.06Å; V477-K487 CarbonylContact C-O 3.57Å; V477-K487 WeakPolarHBondContact CA-O 3.29Å; S478-K487 PolarHBondContact N-O 3.21Å; S478-K487 WeakPolarHBondContact OG-CE 3.45Å; K487-V505 HydrophobicContact CB-CG2 4.45Å; K487-V505 HydrophobicContact CD-CG2 3.96Å; K487-M506 CarbonylContact C-O 3.57Å; K487-M506 WeakPolarHBondContact CA-O 3.48Å; K487-M506 WeakPolarHBondContact CB-O 3.26Å
488	L	98.7	Very high	96.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	150.1	-179.1	-56.4	102.3	0	0	0	110.7	F150 L406 V409 L413 F474 A476 V477 M506	F150-L488 WeakPolarHBondContact CE1-O 3.48Å; L406-L488 HydrophobicContact CD2-CD1 4.27Å; V409-L488 HydrophobicContact CG1-CD2 3.79Å; L413-L488 HydrophobicContact CD1-CD2 4.39Å; F474-L488 HydrophobicContact CD1-CB 3.57Å; F474-L488 HydrophobicContact CD1-CD2 3.71Å; F474-L488 HydrophobicContact CD1-CG 4.22Å; F474-L488 HydrophobicContact CD2-CD2 4.12Å; F474-L488 HydrophobicContact CE1-CB 3.62Å; F474-L488 HydrophobicContact CE1-CD1 4.36Å; F474-L488 HydrophobicContact CE1-CD2 3.79Å; F474-L488 HydrophobicContact CE1-CG 4.11Å; F474-L488 HydrophobicContact CE2-CD2 4.18Å; F474-L488 HydrophobicContact CG-CB 4.49Å; F474-L488 HydrophobicContact CG-CD2 3.89Å; F474-L488 HydrophobicContact CZ-CD2 4.03Å; A476-L488 CarbonylContact O-C 3.53Å; A476-L488 WeakPolarHBondContact O-CA 3.31Å; V477-L488 HydrophobicContact CG2-CG 4.4Å; L488-M506 PolarHBondContact N-O 3.18Å; L488-M506 PolarHBondContact O-N 2.99Å
489	R	98.5	Very high	96.2	Very high	14 Å²	14	49.1 Å²	49.1	5%	0.053	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	132.8	170.8	-172.4	173.2	171	80	-1.8	109	F150 E157 F474 T475 A476 Y503	F150-R489 HydrophobicContact CD1-CB 4.09Å; F150-R489 HydrophobicContact CD2-CB 3.85Å; F150-R489 HydrophobicContact CD2-CG 4.22Å; F150-R489 HydrophobicContact CE1-CB 3.76Å; F150-R489 HydrophobicContact CE2-CB 3.49Å; F150-R489 VanDerWaalsContact CE2-CB 3.49Å; F150-R489 HydrophobicContact CE2-CG 3.66Å; F150-R489 HydrophobicContact CG-CB 4.14Å; F150-R489 HydrophobicContact CZ-CB 3.44Å; F150-R489 VanDerWaalsContact CZ-CB 3.44Å; F150-R489 HydrophobicContact CZ-CG 3.94Å; E157-R489 VanDerWaalsContact OE1-CD 3.24Å; E157-R489 WeakPolarHBondContact OE1-CD 3.29Å; E157-R489 IonicContact OE1-CZ 3.61Å; E157-R489 IonicContact OE1-NE 3.81Å; E157-R489 PolarHBondContact OE1-NE 3.01Å; E157-R489 IonicContact OE1-NH2 3.52Å; E157-R489 IonicContact OE2-CZ 3.83Å; E157-R489 IonicContact OE2-NE 3.73Å; E157-R489 PolarHBondContact OE2-NE 3.15Å; E157-R489 IonicContact OE2-NH2 3.7Å; E157-R489 PolarHBondContact OE2-NH2 3.24Å; F474-R489 WeakPolarHBondContact CA-O 3.42Å; T475-R489 PolarHBondContact N-O 3.15Å; A476-R489 HydrophobicContact CB-CB 3.41Å; A476-R489 VanDerWaalsContact CB-CB 3.41Å; A476-R489 HydrophobicContact CB-CG 4.33Å; A476-R489 PolarHBondContact O-N 3.4Å; R489-Y503 HydrophobicContact CG-CD1 3.99Å; R489-Y503 VanDerWaalsContact CZ-CG 3.43Å; R489-Y503 VanDerWaalsContact NH2-CD2 3.28Å
490	V	98.6	Very high	96	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	123.9	-174.6	-179.6	0	0	0	0	109.8	F421 M472 V473 F474 Y503 L504 M506	F421-V490 HydrophobicContact CE1-CG1 3.84Å; F421-V490 HydrophobicContact CE1-CG2 4.17Å; F421-V490 HydrophobicContact CZ-CG1 3.75Å; F421-V490 HydrophobicContact CZ-CG2 3.94Å; M472-V490 HydrophobicContact CB-CG1 3.55Å; M472-V490 HydrophobicContact CE-CG1 3.88Å; M472-V490 HydrophobicContact CG-CG1 4.13Å; M472-V490 HydrophobicContact SD-CG1 3.51Å; M472-V490 VanDerWaalsContact SD-CG1 3.51Å; V473-V490 CarbonylContact O-C 3.54Å; V473-V490 VanDerWaalsContact O-CA 3.3Å; V473-V490 WeakPolarHBondContact O-CA 3.43Å; F474-V490 HydrophobicContact CD1-CG2 3.78Å; F474-V490 HydrophobicContact CE1-CG2 3.66Å; V490-Y503 CarbonylContact O-C 3.58Å; V490-Y503 WeakPolarHBondContact O-CA 3.46Å; V490-Y503 WeakPolarHBondContact O-CD1 3.48Å; V490-L504 HydrophobicContact CB-CB 4.01Å; V490-L504 HydrophobicContact CB-CG 4.34Å; V490-L504 HydrophobicContact CG1-CD1 4.26Å; V490-L504 HydrophobicContact CG1-CG 4.43Å; V490-L504 PolarHBondContact N-O 3.02Å; V490-L504 PolarHBondContact O-N 2.88Å; V490-M506 HydrophobicContact CG2-CB 4Å; V490-M506 HydrophobicContact CG2-CE 4.12Å
491	E	98.5	Very high	95.9	Very high	1 Å²	1	57 Å²	57	1%	0.005	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	118.8	164.2	-173.6	175.5	154.6	0	0	109	N177 R180 V473 T475 Y503	N177-E491 VanDerWaalsContact CG-OE1 3.24Å; N177-E491 PolarHBondContact ND2-OE1 2.9Å; N177-E491 VanDerWaalsContact ND2-OE1 3.12Å; R180-E491 IonicContact CZ-OE1 3.73Å; R180-E491 IonicContact NE-OE1 3.68Å; R180-E491 IonicContact NH2-OE1 3.19Å; R180-E491 PolarHBondContact NH2-OE1 3.21Å; V473-E491 HydrophobicContact CB-CB 4.22Å; V473-E491 PolarHBondContact N-O 3.35Å; V473-E491 PolarHBondContact O-N 3.31Å; T475-E491 HydrophobicContact CG2-CB 3.94Å; E491-Y503 HydrophobicContact CB-CD1 4Å; E491-Y503 HydrophobicContact CB-CE1 3.45Å; E491-Y503 VanDerWaalsContact CB-CE1 3.45Å; E491-Y503 VanDerWaalsContact CD-OH 3.28Å; E491-Y503 HydrophobicContact CG-CE1 3.78Å; E491-Y503 PolarHBondContact OE2-OH 2.69Å
492	N	97.9	Very high	96	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.011	25%	0.249	C	C	.	.			trans	-101.5	167.2	175.1	-158.9	-9.4	0	0	0	110.8	H470 M472 W494 G502 L504	H470-N492 PolarHBondContact NE2-OD1 3.41Å; M472-N492 HydrophobicContact SD-CB 3.93Å; N492-W494 VanDerWaalsContact ND2-CD2 3.3Å; N492-W494 WeakPolarHBondContact ND2-CZ3 3.3Å; N492-G502 WeakPolarHBondContact CB-O 3.22Å; N492-G502 PolarHBondContact N-O 3Å; N492-L504 HydrophobicContact CB-CD1 4.37Å; N492-L504 HydrophobicContact CB-CD2 4.49Å; N492-L504 HydrophobicContact CB-CG 4.29Å
493	S	98.1	Very high	96.3	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.014	22%	0.218	C	C	.	.	S	Bend	trans	-113.6	39.4	-177.5	49.9	0	0	0	0	112.5	T162 N163 Q164	T162-S493 CarbonylContact O-C 3.51Å; T162-S493 VanDerWaalsContact O-C 3.24Å; T162-S493 WeakPolarHBondContact O-CA 3.36Å; N163-S493 CarbonylContact C-O 3.6Å; N163-S493 VanDerWaalsContact CA-O 3.3Å; N163-S493 WeakPolarHBondContact CA-O 3.27Å; Q164-S493 PolarHBondContact N-O 2.84Å; Q164-S493 PolarHBondContact OE1-OG 3.14Å
494	W	97.4	Very high	96.5	Very high	51 Å²	51	41 Å²	41	19%	0.193	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-113.4	16.2	179.2	-61.7	-22.2	0	0	0	113.6	T162 N163 V425 F429 H470 N492	T162-W494 PolarHBondContact O-N 3.13Å; N163-W494 PolarHBondContact ND2-O 3.32Å; V425-W494 HydrophobicContact CG1-CH2 4.05Å; V425-W494 HydrophobicContact CG1-CZ2 4.27Å; V425-W494 HydrophobicContact CG2-CH2 3.7Å; V425-W494 HydrophobicContact CG2-CZ2 4.46Å; V425-W494 HydrophobicContact CG2-CZ3 4.45Å; F429-W494 HydrophobicContact CE1-CH2 4.11Å; F429-W494 AromaticContact CE1-CZ3 3.69Å; F429-W494 HydrophobicContact CE1-CZ3 3.69Å; F429-W494 AromaticContact CZ-CZ3 3.98Å; F429-W494 HydrophobicContact CZ-CZ3 3.98Å; H470-W494 AromaticContact CD2-CZ2 3.83Å; H470-W494 AromaticContact CE1-CE2 3.75Å; H470-W494 AromaticContact CE1-CZ2 3.75Å; H470-W494 AromaticContact CE1-NE1 3.42Å; H470-W494 PolarHBondContact CE1-NE1 2.82Å; H470-W494 AromaticContact NE2-CE2 3.65Å; H470-W494 AromaticContact NE2-CZ2 3.51Å; H470-W494 AromaticContact NE2-NE1 3.71Å; N492-W494 VanDerWaalsContact ND2-CD2 3.3Å; N492-W494 WeakPolarHBondContact ND2-CZ3 3.3Å
495	G	96.8	Very high	96.6	Very high	6 Å²	6	38 Å²	38	6%	0.062	19%	0.185	C	C	.	.			trans	78.1	-177.3	-175.5	0	0	0	0	0	113.9	T162 G502	T162-G495 PolarHBondContact O-N 2.94Å; G495-G502 VanDerWaalsContact O-CA 3.22Å; G495-G502 WeakPolarHBondContact O-CA 3.35Å
496	E	95.9	Very high	96.6	Very high	92 Å²	92	37.8 Å²	37.8	43%	0.43	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-5.9	-168.8	-63.6	-177	-178.4	0	0	114.9	V161 R498 K501	V161-E496 HydrophobicContact CB-CG 3.7Å; V161-E496 HydrophobicContact CG1-CG 4.3Å; V161-E496 HydrophobicContact CG2-CG 4.1Å; E496-R498 PolarHBondContact O-N 3.22Å; E496-K501 WeakPolarHBondContact O-CA 3.48Å
497	D	93.8	Very high	96.6	Very high	158 Å²	158	34.9 Å²	34.9	85%	0.845	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-2	-172.3	-64.9	-36.6	0	0	0	113.9
498	R	89.6	Confident	96.6	Very high	64 Å²	64	33.7 Å²	33.7	24%	0.242	17%	0.166	C	C	.	.	S	Bend	trans	-120.6	150.9	-177.8	-62.9	-178.8	178.3	-167	-6.5	111.1	E496 G502	E496-R498 PolarHBondContact O-N 3.22Å; R498-G502 VanDerWaalsContact O-CA 3.26Å; R498-G502 WeakPolarHBondContact O-CA 3.48Å; R498-G502 PolarHBondContact O-N 2.77Å
499	G	92.3	Very high	96.5	Very high	26 Å²	26	37.9 Å²	37.9	27%	0.268	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	-144.4	178.1	0	0	0	0	0	113.1	K432 Q433 K501	K432-G499 PolarHBondContact O-N 2.93Å; K432-G499 VanDerWaalsContact O-N 3.15Å; Q433-G499 WeakPolarHBondContact O-CA 3.18Å; G499-K501 PolarHBondContact O-N 3.5Å
500	E	94	Very high	96.5	Very high	93 Å²	93	37.2 Å²	37.2	44%	0.435	19%	0.186	S	C	.	.	B	Isolated β-bridge	trans	-92	83.2	172.8	-168.4	172.1	128.3	0	0	110	H148 G502 Y503	H148-E500 WeakPolarHBondContact CB-OE2 3.46Å; H148-E500 IonicContact CD2-OE2 3.39Å; H148-E500 PolarHBondContact CD2-OE2 3.26Å; H148-E500 IonicContact CG-OE2 2.72Å; E500-G502 PolarHBondContact O-N 3.47Å; E500-Y503 PolarHBondContact N-O 2.85Å; E500-Y503 WeakPolarHBondContact O-CB 3.44Å; E500-Y503 PolarHBondContact O-N 2.8Å
501	K	95	Very high	96.5	Very high	141 Å²	141	37.2 Å²	37.2	61%	0.613	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.7	48.6	-178.8	-61.3	-63.1	-174.9	-179.8	0	112.6	V161 E496 G499 Y503	V161-K501 WeakPolarHBondContact CG2-O 3.46Å; E496-K501 WeakPolarHBondContact O-CA 3.48Å; G499-K501 PolarHBondContact O-N 3.5Å; K501-Y503 VanDerWaalsContact C-N 3.31Å; K501-Y503 PolarHBondContact O-N 2.79Å
502	G	96.3	Very high	96.5	Very high	3 Å²	3	39.6 Å²	39.6	3%	0.031	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	-1.7	-179.9	0	0	0	0	0	115.1	N492 G495 R498 E500	N492-G502 WeakPolarHBondContact CB-O 3.22Å; N492-G502 PolarHBondContact N-O 3Å; G495-G502 VanDerWaalsContact O-CA 3.22Å; G495-G502 WeakPolarHBondContact O-CA 3.35Å; R498-G502 VanDerWaalsContact O-CA 3.26Å; R498-G502 WeakPolarHBondContact O-CA 3.48Å; R498-G502 PolarHBondContact O-N 2.77Å; E500-G502 PolarHBondContact O-N 3.47Å
503	Y	98	Very high	96.5	Very high	10 Å²	10	42.4 Å²	42.4	4%	0.039	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	143.9	174.5	-71.4	-98.1	0	0	0	112.2	E157 V161 T475 R489 V490 E491 E500 K501	E157-Y503 WeakPolarHBondContact CB-OH 3.16Å; E157-Y503 VanDerWaalsContact CD-CE1 3.46Å; E157-Y503 HydrophobicContact CG-CE1 4.26Å; E157-Y503 WeakPolarHBondContact OE1-CE1 3.22Å; V161-Y503 HydrophobicContact CG2-CE2 3.88Å; T475-Y503 HydrophobicContact CG2-CE1 4.19Å; R489-Y503 HydrophobicContact CG-CD1 3.99Å; R489-Y503 VanDerWaalsContact CZ-CG 3.43Å; R489-Y503 VanDerWaalsContact NH2-CD2 3.28Å; V490-Y503 CarbonylContact O-C 3.58Å; V490-Y503 WeakPolarHBondContact O-CA 3.46Å; V490-Y503 WeakPolarHBondContact O-CD1 3.48Å; E491-Y503 HydrophobicContact CB-CD1 4Å; E491-Y503 HydrophobicContact CB-CE1 3.45Å; E491-Y503 VanDerWaalsContact CB-CE1 3.45Å; E491-Y503 VanDerWaalsContact CD-OH 3.28Å; E491-Y503 HydrophobicContact CG-CE1 3.78Å; E491-Y503 PolarHBondContact OE2-OH 2.69Å; E500-Y503 PolarHBondContact N-O 2.85Å; E500-Y503 WeakPolarHBondContact O-CB 3.44Å; E500-Y503 PolarHBondContact O-N 2.8Å; K501-Y503 VanDerWaalsContact C-N 3.31Å; K501-Y503 PolarHBondContact O-N 2.79Å
504	L	98.1	Very high	96.5	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	163.4	174.8	-32.5	176.5	0	0	0	110.6	F429 G434 E436 M472 V490 N492	F429-L504 HydrophobicContact CE2-CD1 4.01Å; F429-L504 HydrophobicContact CE2-CD2 4.23Å; F429-L504 HydrophobicContact CZ-CD1 4.06Å; F429-L504 HydrophobicContact CZ-CD2 4.19Å; G434-L504 CarbonylContact O-C 3.59Å; G434-L504 WeakPolarHBondContact O-CA 3.44Å; G434-L504 WeakPolarHBondContact O-CB 3.47Å; E436-L504 HydrophobicContact CG-CD1 4.45Å; M472-L504 HydrophobicContact CE-CD1 4.16Å; M472-L504 HydrophobicContact SD-CD1 3.72Å; V490-L504 HydrophobicContact CB-CB 4.01Å; V490-L504 HydrophobicContact CB-CG 4.34Å; V490-L504 HydrophobicContact CG1-CD1 4.26Å; V490-L504 HydrophobicContact CG1-CG 4.43Å; V490-L504 PolarHBondContact N-O 3.02Å; V490-L504 PolarHBondContact O-N 2.88Å; N492-L504 HydrophobicContact CB-CD1 4.37Å; N492-L504 HydrophobicContact CB-CD2 4.49Å; N492-L504 HydrophobicContact CB-CG 4.29Å
505	V	98.2	Very high	96.6	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	127.2	165.9	56.2	0	0	0	0	108.4	T146 F150 G434 I435 E436 K487	T146-V505 HydrophobicContact CG2-CB 4.43Å; T146-V505 HydrophobicContact CG2-CG1 3.28Å; T146-V505 HydrophobicContact CG2-CG2 4.35Å; F150-V505 HydrophobicContact CE1-CG2 4.15Å; F150-V505 HydrophobicContact CZ-CB 4.17Å; F150-V505 HydrophobicContact CZ-CG2 3.9Å; G434-V505 PolarHBondContact O-N 2.82Å; I435-V505 HydrophobicContact CB-CG1 4.4Å; I435-V505 HydrophobicContact CG1-CG1 3.93Å; I435-V505 HydrophobicContact CG2-CG1 4.45Å; E436-V505 PolarHBondContact N-O 3.49Å; K487-V505 HydrophobicContact CB-CG2 4.45Å; K487-V505 HydrophobicContact CD-CG2 3.96Å
506	M	98.6	Very high	96.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	125.8	-177.7	-179.7	-173.2	-72.2	0	0	109.6	F421 E436 F474 K487 L488 V490 W510 F511	F421-M506 HydrophobicContact CE2-CE 3.67Å; F421-M506 HydrophobicContact CZ-CE 3.73Å; E436-M506 HydrophobicContact CB-CB 4.06Å; E436-M506 HydrophobicContact CB-CG 4.03Å; E436-M506 WeakPolarHBondContact O-CA 3.4Å; E436-M506 WeakPolarHBondContact OE2-CE 3.44Å; F474-M506 HydrophobicContact CE1-CE 4.26Å; F474-M506 HydrophobicContact CE1-SD 3.78Å; F474-M506 HydrophobicContact CZ-CE 4.44Å; F474-M506 HydrophobicContact CZ-SD 3.86Å; K487-M506 CarbonylContact C-O 3.57Å; K487-M506 WeakPolarHBondContact CA-O 3.48Å; K487-M506 WeakPolarHBondContact CB-O 3.26Å; L488-M506 PolarHBondContact N-O 3.18Å; L488-M506 PolarHBondContact O-N 2.99Å; V490-M506 HydrophobicContact CG2-CB 4Å; V490-M506 HydrophobicContact CG2-CE 4.12Å; M506-W510 HydrophobicContact CE-CE3 3.48Å; M506-W510 VanDerWaalsContact CE-CE3 3.48Å; M506-W510 HydrophobicContact CE-CH2 4.2Å; M506-W510 HydrophobicContact CE-CZ3 3.3Å; M506-W510 HydrophobicContact CG-CB 4.24Å; M506-W510 HydrophobicContact CG-CD2 4.31Å; M506-W510 HydrophobicContact CG-CE3 3.8Å; M506-W510 HydrophobicContact SD-CE3 3.64Å; M506-W510 HydrophobicContact SD-CZ3 4Å; M506-F511 HydrophobicContact SD-CB 3.8Å; M506-F511 HydrophobicContact SD-CD2 3.79Å; M506-F511 HydrophobicContact SD-CG 4.29Å
507	N	96.4	Very high	96.7	Very high	39 Å²	39	35.3 Å²	35.3	21%	0.209	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	146.1	170.3	-73.8	-5.9	0	0	0	110.3	E436 D437 D509 W510 F511	E436-N507 PolarHBondContact O-N 3.48Å; D437-N507 PolarHBondContact OD1-ND2 3.33Å; D437-N507 VanDerWaalsContact OD1-ND2 3.09Å; D437-N507 PolarHBondContact OD2-ND2 2.97Å; N507-D509 PolarHBondContact O-N 2.88Å; N507-W510 VanDerWaalsContact O-CB 3.31Å; N507-W510 WeakPolarHBondContact O-CB 3.19Å; N507-W510 PolarHBondContact O-N 2.73Å; N507-F511 PolarHBondContact O-N 3.43Å
508	A	97.9	Very high	97	Very high	3 Å²	3	27.8 Å²	27.8	3%	0.025	14%	0.135	C	C	.	.	H	α-helix	trans	-60.1	-33.7	-179.2	0	0	0	0	0	112.3	L406 A485 Q486 W510 F511 R512	L406-A508 HydrophobicContact CD1-CB 4.5Å; A485-A508 WeakPolarHBondContact O-CB 3.41Å; Q486-A508 PolarHBondContact O-N 3Å; A508-W510 VanDerWaalsContact C-N 3.31Å; A508-W510 PolarHBondContact O-N 2.68Å; A508-F511 WeakPolarHBondContact O-CB 3.38Å; A508-F511 PolarHBondContact O-N 2.92Å; A508-F511 VanDerWaalsContact O-N 3.17Å; A508-R512 WeakPolarHBondContact O-CG 3.45Å; A508-R512 PolarHBondContact O-N 3.14Å
509	D	97.7	Very high	97.4	Very high	88 Å²	88	25.1 Å²	25.1	47%	0.471	13%	0.126	S	C	.	.	H	α-helix	trans	-66.3	-32.6	174.9	-65.8	-24.9	0	0	0	112.7	V438 N507 F511 R512 E513	V438-D509 HydrophobicContact CG2-CB 4.39Å; N507-D509 PolarHBondContact O-N 2.88Å; D509-F511 VanDerWaalsContact C-N 3.33Å; D509-R512 WeakPolarHBondContact O-CB 3.43Å; D509-R512 PolarHBondContact O-N 2.87Å; D509-R512 IonicContact OD1-CZ 2.68Å; D509-R512 IonicContact OD1-NH1 3.75Å; D509-R512 PolarHBondContact OD1-NH1 3.45Å; D509-E513 PolarHBondContact O-N 2.79Å; D509-E513 VanDerWaalsContact O-N 3.15Å
510	W	98.4	Very high	97.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-63.4	-43.3	171.5	-170.2	103.2	0	0	0	110.6	C423 E424 K427 R428 E436 D437 V438 M506 N507 A508 R512 E513 F514	C423-W510 HydrophobicContact CB-CH2 4.01Å; C423-W510 HydrophobicContact CB-CZ3 3.92Å; E424-W510 WeakPolarHBondContact O-CH2 3.28Å; E424-W510 WeakPolarHBondContact O-CZ2 3.25Å; K427-W510 WeakPolarHBondContact O-CZ2 3.21Å; K427-W510 PolarHBondContact O-NE1 3.16Å; R428-W510 PolarHBondContact O-NE1 3.28Å; E436-W510 VanDerWaalsContact C-CD1 3.4Å; E436-W510 HydrophobicContact CB-CD2 3.8Å; E436-W510 HydrophobicContact CB-CE3 4.32Å; E436-W510 HydrophobicContact CB-CG 3.96Å; E436-W510 HydrophobicContact CB-CZ2 4.36Å; E436-W510 HydrophobicContact CG-CZ2 4.25Å; E436-W510 WeakPolarHBondContact O-CB 3.26Å; D437-W510 VanDerWaalsContact N-CD1 3.3Å; V438-W510 HydrophobicContact CG1-CB 4.24Å; M506-W510 HydrophobicContact CE-CE3 3.48Å; M506-W510 VanDerWaalsContact CE-CE3 3.48Å; M506-W510 HydrophobicContact CE-CH2 4.2Å; M506-W510 HydrophobicContact CE-CZ3 3.3Å; M506-W510 HydrophobicContact CG-CB 4.24Å; M506-W510 HydrophobicContact CG-CD2 4.31Å; M506-W510 HydrophobicContact CG-CE3 3.8Å; M506-W510 HydrophobicContact SD-CE3 3.64Å; M506-W510 HydrophobicContact SD-CZ3 4Å; N507-W510 VanDerWaalsContact O-CB 3.31Å; N507-W510 WeakPolarHBondContact O-CB 3.19Å; N507-W510 PolarHBondContact O-N 2.73Å; A508-W510 VanDerWaalsContact C-N 3.31Å; A508-W510 PolarHBondContact O-N 2.68Å; W510-R512 VanDerWaalsContact C-N 3.3Å; W510-R512 PolarHBondContact O-N 2.98Å; W510-E513 PolarHBondContact O-N 3.06Å; W510-F514 AromaticContact CD1-CD2 3.94Å; W510-F514 HydrophobicContact CD2-CB 4.15Å; W510-F514 AromaticContact CD2-CD2 3.97Å; W510-F514 HydrophobicContact CD2-CD2 3.97Å; W510-F514 AromaticContact CE2-CD2 3.7Å; W510-F514 HydrophobicContact CE3-CB 4.04Å; W510-F514 HydrophobicContact CG-CD2 4.13Å; W510-F514 HydrophobicContact CH2-CB 3.65Å; W510-F514 HydrophobicContact CZ2-CB 3.77Å; W510-F514 HydrophobicContact CZ2-CD2 4.17Å; W510-F514 HydrophobicContact CZ2-CG 4.26Å; W510-F514 HydrophobicContact CZ3-CB 3.78Å; W510-F514 AromaticContact NE1-CD2 3.69Å; W510-F514 PolarHBondContact O-N 2.94Å
511	F	98.5	Very high	97.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-62.3	-37	175	-170.4	-94.7	0	0	0	112.2	V402 L405 L406 F421 F474 M506 N507 A508 D509 E513 G515 V518	V402-F511 HydrophobicContact CG2-CD1 3.9Å; V402-F511 HydrophobicContact CG2-CE1 4Å; L405-F511 HydrophobicContact CB-CE1 4.41Å; L406-F511 HydrophobicContact CD2-CB 4.42Å; L406-F511 HydrophobicContact CD2-CD1 3.65Å; L406-F511 HydrophobicContact CD2-CE1 4.25Å; L406-F511 HydrophobicContact CD2-CG 4.19Å; L406-F511 HydrophobicContact CG-CD1 3.97Å; L406-F511 HydrophobicContact CG-CE1 4.41Å; F421-F511 HydrophobicContact CB-CE2 4.5Å; F421-F511 AromaticContact CD2-CE2 3.97Å; F421-F511 HydrophobicContact CD2-CE2 3.97Å; F421-F511 HydrophobicContact CG-CE2 4.47Å; F474-F511 HydrophobicContact CE2-CD2 4.14Å; F474-F511 AromaticContact CE2-CE2 3.77Å; F474-F511 HydrophobicContact CE2-CE2 3.77Å; F474-F511 HydrophobicContact CE2-CZ 4.46Å; F474-F511 AromaticContact CZ-CD2 3.61Å; F474-F511 HydrophobicContact CZ-CD2 3.61Å; F474-F511 AromaticContact CZ-CE2 3.69Å; F474-F511 HydrophobicContact CZ-CE2 3.69Å; M506-F511 HydrophobicContact SD-CB 3.8Å; M506-F511 HydrophobicContact SD-CD2 3.79Å; M506-F511 HydrophobicContact SD-CG 4.29Å; N507-F511 PolarHBondContact O-N 3.43Å; A508-F511 WeakPolarHBondContact O-CB 3.38Å; A508-F511 PolarHBondContact O-N 2.92Å; A508-F511 VanDerWaalsContact O-N 3.17Å; D509-F511 VanDerWaalsContact C-N 3.33Å; F511-E513 VanDerWaalsContact C-N 3.29Å; F511-E513 PolarHBondContact O-N 2.97Å; F511-G515 VanDerWaalsContact O-CA 3.28Å; F511-G515 WeakPolarHBondContact O-CA 3.19Å; F511-G515 PolarHBondContact O-N 3.14Å; F511-V518 HydrophobicContact CE1-CG1 4.43Å; F511-V518 HydrophobicContact CE2-CG1 4.29Å; F511-V518 HydrophobicContact CZ-CG1 3.58Å
512	R	98.2	Very high	98.1	Very high	51 Å²	51	17.6 Å²	17.6	19%	0.192	9%	0.085	C	C	.	.	H	α-helix	trans	-57.1	-43.7	174.1	-70.2	178.7	176.2	94.2	10.1	111.8	V402 E403 L406 K457 A508 D509 W510	V402-R512 HydrophobicContact CG1-CB 4.49Å; V402-R512 HydrophobicContact CG1-CG 4.06Å; V402-R512 HydrophobicContact CG2-CG 4.21Å; E403-R512 IonicContact OE1-CZ 2.7Å; E403-R512 IonicContact OE1-NE 3Å; E403-R512 PolarHBondContact OE1-NE 3.27Å; E403-R512 IonicContact OE1-NH2 3.55Å; E403-R512 PolarHBondContact OE1-NH2 3Å; E403-R512 IonicContact OE2-CZ 3.26Å; E403-R512 IonicContact OE2-NE 2.85Å; E403-R512 IonicContact OE2-NH2 3.22Å; E403-R512 PolarHBondContact OE2-NH2 2.8Å; L406-R512 HydrophobicContact CD1-CG 4.27Å; K457-R512 VanDerWaalsContact CD-O 3.25Å; K457-R512 WeakPolarHBondContact CD-O 3.29Å; K457-R512 PolarHBondContact NZ-O 3.21Å; A508-R512 WeakPolarHBondContact O-CG 3.45Å; A508-R512 PolarHBondContact O-N 3.14Å; D509-R512 WeakPolarHBondContact O-CB 3.43Å; D509-R512 PolarHBondContact O-N 2.87Å; D509-R512 IonicContact OD1-CZ 2.68Å; D509-R512 IonicContact OD1-NH1 3.75Å; D509-R512 PolarHBondContact OD1-NH1 3.45Å; W510-R512 VanDerWaalsContact C-N 3.3Å; W510-R512 PolarHBondContact O-N 2.98Å
513	E	98.1	Very high	98.2	Very high	61 Å²	61	23 Å²	23	29%	0.285	11%	0.107	S	C	.	.	H	α-helix	trans	-80.5	-38.4	-177.3	-67	-58.2	129.9	0	0	114.1	V438 K457 R460 D509 W510 F511	V438-E513 HydrophobicContact CG1-CG 4.17Å; K457-E513 WeakPolarHBondContact CD-O 3.36Å; R460-E513 IonicContact CZ-OE2 3.96Å; R460-E513 IonicContact NH1-OE2 3.19Å; R460-E513 PolarHBondContact NH1-OE2 3.09Å; R460-E513 PolarHBondContact NH2-O 2.93Å; R460-E513 IonicContact NH2-OE2 2.76Å; R460-E513 PolarHBondContact NH2-OE2 2.86Å; D509-E513 PolarHBondContact O-N 2.79Å; D509-E513 VanDerWaalsContact O-N 3.15Å; W510-E513 PolarHBondContact O-N 3.06Å; F511-E513 VanDerWaalsContact C-N 3.29Å; F511-E513 PolarHBondContact O-N 2.97Å
514	F	98.2	Very high	98.2	Very high	1 Å²	1	23.5 Å²	23.5	0%	0.004	11%	0.11	C	C	.	.	H	α-helix	trans	-129	-1.1	-166.4	-55.7	-64.7	0	0	0	115	C423 E424 K427 R428 Q452 T453 W510 F516	C423-F514 CarbonylContact C-O 3.53Å; C423-F514 WeakPolarHBondContact CA-O 3.2Å; C423-F514 VanDerWaalsContact CB-O 3.3Å; C423-F514 WeakPolarHBondContact CB-O 3.31Å; E424-F514 HydrophobicContact CB-CB 4.32Å; E424-F514 PolarHBondContact N-O 3.44Å; K427-F514 HydrophobicContact CB-CD1 3.68Å; K427-F514 HydrophobicContact CB-CD2 4.16Å; K427-F514 HydrophobicContact CB-CE1 3.54Å; K427-F514 HydrophobicContact CB-CE2 4.03Å; K427-F514 HydrophobicContact CB-CG 4Å; K427-F514 HydrophobicContact CB-CZ 3.72Å; K427-F514 HydrophobicContact CG-CD1 3.93Å; K427-F514 HydrophobicContact CG-CE1 3.82Å; K427-F514 HydrophobicContact CG-CZ 4.45Å; R428-F514 HydrophobicContact CB-CE2 4.1Å; R428-F514 HydrophobicContact CG-CE2 3.76Å; R428-F514 HydrophobicContact CG-CZ 4.09Å; Q452-F514 HydrophobicContact CB-CZ 4.35Å; T453-F514 HydrophobicContact CG2-CE2 4.29Å; T453-F514 HydrophobicContact CG2-CZ 3.89Å; W510-F514 AromaticContact CD1-CD2 3.94Å; W510-F514 HydrophobicContact CD2-CB 4.15Å; W510-F514 AromaticContact CD2-CD2 3.97Å; W510-F514 HydrophobicContact CD2-CD2 3.97Å; W510-F514 AromaticContact CE2-CD2 3.7Å; W510-F514 HydrophobicContact CE3-CB 4.04Å; W510-F514 HydrophobicContact CG-CD2 4.13Å; W510-F514 HydrophobicContact CH2-CB 3.65Å; W510-F514 HydrophobicContact CZ2-CB 3.77Å; W510-F514 HydrophobicContact CZ2-CD2 4.17Å; W510-F514 HydrophobicContact CZ2-CG 4.26Å; W510-F514 HydrophobicContact CZ3-CB 3.78Å; W510-F514 AromaticContact NE1-CD2 3.69Å; W510-F514 PolarHBondContact O-N 2.94Å; F514-F516 VanDerWaalsContact O-CD2 3.29Å; F514-F516 WeakPolarHBondContact O-CD2 3.26Å; F514-F516 WeakPolarHBondContact O-CE2 3.19Å
515	G	98.1	Very high	98.2	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	138.5	168.9	0	0	0	0	0	111.4	T369 K457 F511	T369-G515 WeakPolarHBondContact CG2-O 3.4Å; K457-G515 WeakPolarHBondContact CE-O 3.36Å; K457-G515 PolarHBondContact NZ-O 2.75Å; F511-G515 VanDerWaalsContact O-CA 3.28Å; F511-G515 WeakPolarHBondContact O-CA 3.19Å; F511-G515 PolarHBondContact O-N 3.14Å
516	F	98.1	Very high	98.2	Very high	1 Å²	1	26.4 Å²	26.4	0%	0.004	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	-27.2	-173.4	-65	-79.6	0	0	0	114	V368 T369 G422 E424 K457 L461 M468 F514 M546	V368-F516 CarbonylContact C-O 3.53Å; V368-F516 WeakPolarHBondContact CA-O 3.24Å; V368-F516 WeakPolarHBondContact CB-O 3.47Å; T369-F516 PolarHBondContact N-O 3.45Å; G422-F516 PolarHBondContact O-N 2.99Å; E424-F516 HydrophobicContact CB-CE2 3.86Å; K457-F516 HydrophobicContact CD-CE1 4.42Å; K457-F516 VanDerWaalsContact CE-CE1 3.4Å; K457-F516 HydrophobicContact CG-CE1 4.25Å; L461-F516 HydrophobicContact CD1-CD1 4.5Å; L461-F516 HydrophobicContact CD1-CE1 4.01Å; L461-F516 HydrophobicContact CD2-CD1 4.3Å; L461-F516 HydrophobicContact CD2-CE1 3.73Å; L461-F516 HydrophobicContact CD2-CZ 4.31Å; L461-F516 HydrophobicContact CG-CE1 4.03Å; M468-F516 HydrophobicContact CB-CB 4.35Å; M468-F516 HydrophobicContact CB-CD2 4.14Å; M468-F516 HydrophobicContact CB-CG 4.46Å; M468-F516 HydrophobicContact CE-CB 3.78Å; F514-F516 VanDerWaalsContact O-CD2 3.29Å; F514-F516 WeakPolarHBondContact O-CD2 3.26Å; F514-F516 WeakPolarHBondContact O-CE2 3.19Å; F516-M546 HydrophobicContact CB-CE 4.41Å; F516-M546 HydrophobicContact CD1-SD 4.47Å
517	E	98.2	Very high	98.2	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	143.5	-172.2	-175.1	-176.2	166.8	0	0	110.7	Q243 C366 L367 V368 W420 F421 G422 M468	Q243-E517 PolarHBondContact OE1-OE2 2.92Å; Q243-E517 VanDerWaalsContact OE1-OE2 3.1Å; C366-E517 VanDerWaalsContact SG-CG 3.51Å; C366-E517 PolarHBondContact SG-OE1 3.3Å; L367-E517 CarbonylContact O-C 3.24Å; L367-E517 WeakPolarHBondContact O-CA 3.47Å; V368-E517 HydrophobicContact CG1-CB 4.12Å; V368-E517 HydrophobicContact CG1-CG 3.94Å; W420-E517 HydrophobicContact CH2-CG 4.47Å; W420-E517 HydrophobicContact CZ3-CB 4.23Å; W420-E517 HydrophobicContact CZ3-CG 3.72Å; W420-E517 WeakPolarHBondContact CZ3-OE1 3.23Å; F421-E517 CarbonylContact C-O 3.56Å; F421-E517 WeakPolarHBondContact CA-O 3.45Å; F421-E517 WeakPolarHBondContact CB-O 3.22Å; G422-E517 PolarHBondContact N-O 2.9Å; G422-E517 PolarHBondContact O-N 3.28Å; M468-E517 HydrophobicContact CE-CB 3.55Å; M468-E517 HydrophobicContact CE-CG 4.45Å; M468-E517 WeakPolarHBondContact CE-OE2 3.24Å; M468-E517 HydrophobicContact SD-CB 4.2Å
518	V	98.7	Very high	98.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	148.3	169	-57.2	0	0	0	0	109.8	L367 L405 V409 V419 W420 F421 F511	L367-V518 HydrophobicContact CB-CG2 4.12Å; L367-V518 PolarHBondContact N-O 2.95Å; L367-V518 PolarHBondContact O-N 3.47Å; L405-V518 HydrophobicContact CB-CG2 4.17Å; L405-V518 HydrophobicContact CD2-CG1 4.32Å; L405-V518 HydrophobicContact CD2-CG2 4.11Å; L405-V518 HydrophobicContact CG-CG2 3.74Å; V409-V518 HydrophobicContact CG2-CB 3.99Å; V409-V518 HydrophobicContact CG2-CG1 3.67Å; V409-V518 HydrophobicContact CG2-CG2 4.16Å; V419-V518 HydrophobicContact CG1-CB 4.1Å; W420-V518 WeakPolarHBondContact O-CA 3.45Å; F421-V518 HydrophobicContact CB-CG1 4.02Å; F511-V518 HydrophobicContact CE1-CG1 4.43Å; F511-V518 HydrophobicContact CE2-CG1 4.29Å; F511-V518 HydrophobicContact CZ-CG1 3.58Å
519	V	98.8	Very high	98.3	Very high	8 Å²	8	34.7 Å²	34.7	5%	0.048	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	116.4	176	173.1	0	0	0	0	109.5	W244 K364 V365 C366 V419 W420	W244-V519 HydrophobicContact CB-CG2 3.73Å; W244-V519 HydrophobicContact CD2-CB 4.12Å; W244-V519 HydrophobicContact CD2-CG1 3.49Å; W244-V519 VanDerWaalsContact CD2-CG1 3.49Å; W244-V519 HydrophobicContact CD2-CG2 3.67Å; W244-V519 VanDerWaalsContact CE2-CG1 3.42Å; W244-V519 HydrophobicContact CE3-CB 4.14Å; W244-V519 HydrophobicContact CE3-CG1 3.77Å; W244-V519 HydrophobicContact CE3-CG2 3.86Å; W244-V519 HydrophobicContact CG-CB 4.44Å; W244-V519 HydrophobicContact CG-CG1 4.03Å; W244-V519 HydrophobicContact CG-CG2 3.57Å; W244-V519 HydrophobicContact CH2-CG1 3.93Å; W244-V519 HydrophobicContact CZ2-CG1 3.69Å; W244-V519 HydrophobicContact CZ3-CG1 3.96Å; K364-V519 HydrophobicContact CB-CG1 3.63Å; K364-V519 HydrophobicContact CG-CG1 4.46Å; V365-V519 WeakPolarHBondContact O-CA 3.4Å; C366-V519 HydrophobicContact CB-CG2 4.41Å; V419-V519 WeakPolarHBondContact CG1-O 3.4Å; W420-V519 HydrophobicContact CB-CB 4.22Å; W420-V519 HydrophobicContact CD2-CG2 4.23Å; W420-V519 HydrophobicContact CE3-CB 4.14Å; W420-V519 HydrophobicContact CE3-CG2 3.49Å; W420-V519 VanDerWaalsContact CE3-CG2 3.49Å; W420-V519 HydrophobicContact CZ3-CG2 4.01Å; W420-V519 PolarHBondContact O-N 3.24Å
520	V	98.7	Very high	98.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	159.7	-177.8	-65.5	0	0	0	0	110.8	K364 V365 L367 V408 V419 V525	K364-V520 CarbonylContact C-O 3.45Å; K364-V520 WeakPolarHBondContact CA-O 3.49Å; V365-V520 HydrophobicContact CG2-CG2 4.37Å; V365-V520 WeakPolarHBondContact CG2-O 3.49Å; V365-V520 PolarHBondContact N-O 3.43Å; V365-V520 PolarHBondContact O-N 3.03Å; L367-V520 HydrophobicContact CD1-CG2 4.39Å; V408-V520 HydrophobicContact CB-CG2 4.37Å; V408-V520 HydrophobicContact CG2-CG1 4.25Å; V408-V520 HydrophobicContact CG2-CG2 4.05Å; V419-V520 HydrophobicContact CG1-CG1 3.92Å; V419-V520 HydrophobicContact CG2-CG1 4.08Å; V520-V525 HydrophobicContact CG2-CG2 3.54Å
521	D	98.7	Very high	98.3	Very high	19 Å²	19	38.6 Å²	38.6	10%	0.102	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	138.3	171.1	-163.2	-66.3	0	0	0	111.5	D363 K364 K523 Y524	D363-D521 WeakPolarHBondContact O-CA 3.2Å; K364-D521 HydrophobicContact CD-CB 4.14Å; K364-D521 IonicContact NZ-OD2 2.68Å; K364-D521 PolarHBondContact NZ-OD2 3.15Å; D521-K523 HydrophobicContact CB-CD 4.25Å; D521-K523 HydrophobicContact CB-CG 4.07Å; D521-K523 PolarHBondContact O-N 3.01Å; D521-K523 WeakPolarHBondContact OD1-CB 3.33Å; D521-K523 VanDerWaalsContact OD1-CD 3.3Å; D521-K523 WeakPolarHBondContact OD1-CD 3.35Å; D521-K523 WeakPolarHBondContact OD1-CG 3.42Å; D521-K523 PolarHBondContact OD1-N 2.98Å; D521-K523 IonicContact OD1-NZ 2.68Å; D521-K523 IonicContact OD2-NZ 2.81Å; D521-K523 PolarHBondContact OD2-NZ 3.3Å; D521-Y524 HydrophobicContact CB-CD2 3.68Å; D521-Y524 HydrophobicContact CB-CE2 3.7Å; D521-Y524 PolarHBondContact O-N 3.35Å
522	K	98.4	Very high	98.3	Very high	83 Å²	83	38.9 Å²	38.9	36%	0.361	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-48.4	-36.7	177.2	-71.1	168.1	-169.6	171.2	0	112.2	E362 D363 V365 Y524 V525 L530	E362-K522 VanDerWaalsContact O-CE 3.29Å; E362-K522 WeakPolarHBondContact O-CE 3.43Å; E362-K522 PolarHBondContact O-NZ 2.96Å; D363-K522 WeakPolarHBondContact O-CG 3.31Å; D363-K522 PolarHBondContact O-N 2.65Å; V365-K522 HydrophobicContact CG1-CD 4.28Å; V365-K522 HydrophobicContact CG1-CG 3.54Å; V365-K522 HydrophobicContact CG2-CG 4.29Å; K522-Y524 PolarHBondContact O-N 2.63Å; K522-V525 PolarHBondContact O-N 3.35Å; K522-L530 HydrophobicContact CB-CD1 4.49Å; K522-L530 HydrophobicContact CB-CD2 4.19Å; K522-L530 HydrophobicContact CG-CD2 4.08Å
523	K	98.1	Very high	98.2	Very high	115 Å²	115	38.8 Å²	38.8	50%	0.5	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-60.5	-18.4	-179.1	77.7	-160.5	173.8	-139.3	0	114.3	E417 D521	E417-K523 IonicContact OE2-NZ 2.67Å; E417-K523 PolarHBondContact OE2-NZ 2.88Å; D521-K523 HydrophobicContact CB-CD 4.25Å; D521-K523 HydrophobicContact CB-CG 4.07Å; D521-K523 PolarHBondContact O-N 3.01Å; D521-K523 WeakPolarHBondContact OD1-CB 3.33Å; D521-K523 VanDerWaalsContact OD1-CD 3.3Å; D521-K523 WeakPolarHBondContact OD1-CD 3.35Å; D521-K523 WeakPolarHBondContact OD1-CG 3.42Å; D521-K523 PolarHBondContact OD1-N 2.98Å; D521-K523 IonicContact OD1-NZ 2.68Å; D521-K523 IonicContact OD2-NZ 2.81Å; D521-K523 PolarHBondContact OD2-NZ 3.3Å
524	Y	98.2	Very high	98.1	Very high	21 Å²	21	42.5 Å²	42.5	8%	0.082	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-89.3	-22.1	178	-59.2	-52.4	0	0	0	113.1	K411 A415 E417 D521 K522	K411-Y524 HydrophobicContact CB-CD1 4.44Å; K411-Y524 HydrophobicContact CD-CD1 3.94Å; K411-Y524 HydrophobicContact CD-CG 4.45Å; K411-Y524 HydrophobicContact CG-CD1 3.75Å; K411-Y524 HydrophobicContact CG-CE1 4.46Å; K411-Y524 HydrophobicContact CG-CG 4.44Å; K411-Y524 PolarHBondContact NZ-O 3.03Å; A415-Y524 HydrophobicContact CB-CE1 3.73Å; A415-Y524 WeakPolarHBondContact CB-OH 3.47Å; E417-Y524 HydrophobicContact CB-CE2 4.39Å; D521-Y524 HydrophobicContact CB-CD2 3.68Å; D521-Y524 HydrophobicContact CB-CE2 3.7Å; D521-Y524 PolarHBondContact O-N 3.35Å; K522-Y524 PolarHBondContact O-N 2.63Å
525	V	98.6	Very high	98.1	Very high	11 Å²	11	46 Å²	46	7%	0.067	22%	0.221	C	C	.	.	S	Bend	trans	-88.8	136.5	-170.3	-174.7	0	0	0	0	110.8	V365 L367 V520 K522 V529 L530	V365-V525 HydrophobicContact CG2-CG2 3.76Å; L367-V525 HydrophobicContact CD1-CG1 4.46Å; L367-V525 HydrophobicContact CD1-CG2 4.27Å; V520-V525 HydrophobicContact CG2-CG2 3.54Å; K522-V525 PolarHBondContact O-N 3.35Å; V525-V529 HydrophobicContact CG1-CB 3.72Å; V525-V529 HydrophobicContact CG1-CG1 3.51Å; V525-L530 HydrophobicContact CB-CD2 3.85Å; V525-L530 HydrophobicContact CB-CG 3.97Å; V525-L530 HydrophobicContact CG1-CD2 3.9Å; V525-L530 HydrophobicContact CG1-CG 3.89Å
526	P	98.3	Very high	98	Very high	52 Å²	52	53.4 Å²	53.4	34%	0.338	26%	0.26	S	S	.	.			trans	-57.7	147.5	171.9	-26.8	37.3	0	0	0	113.3	L404 D528 V529 L530	L404-P526 HydrophobicContact CD1-CG 4.29Å; P526-D528 WeakPolarHBondContact CB-OD1 3.2Å; P526-D528 PolarHBondContact O-N 3.46Å; P526-V529 HydrophobicContact CB-CB 4.48Å; P526-V529 HydrophobicContact CB-CG2 4.15Å; P526-V529 HydrophobicContact CG-CG2 4.39Å; P526-V529 WeakPolarHBondContact O-CB 3.1Å; P526-V529 PolarHBondContact O-N 3.11Å; P526-V529 VanDerWaalsContact O-N 3.16Å; P526-L530 PolarHBondContact O-N 3.31Å
527	E	98	Very high	98	Very high	121 Å²	121	55.4 Å²	55.4	57%	0.565	27%	0.273	S	S	*	.	H	α-helix	trans	-63.5	-37.9	-174.6	-173.9	60.9	-156.4	0	0	113.2	V529 L530 R531	E527-V529 VanDerWaalsContact C-N 3.32Å; E527-V529 PolarHBondContact O-N 3.37Å; E527-L530 PolarHBondContact O-N 3.02Å; E527-R531 WeakPolarHBondContact O-CG 3.29Å; E527-R531 PolarHBondContact O-N 3Å
528	D	97.6	Very high	98	Very high	91 Å²	91	59 Å²	59	49%	0.487	29%	0.292	S	S	.	.	H	α-helix	trans	-61.3	-39.8	174.5	56.6	-32.5	0	0	0	112.6	P526	P526-D528 WeakPolarHBondContact CB-OD1 3.2Å; P526-D528 PolarHBondContact O-N 3.46Å
529	V	98.3	Very high	98	Very high	5 Å²	5	63.5 Å²	63.5	3%	0.03	32%	0.319	C	S	.	.	H	α-helix	trans	-69.3	-40.2	174.6	177.5	0	0	0	0	110.5	L367 N398 Q400 L404 V525 P526 E527 R531 V532	L367-V529 HydrophobicContact CD2-CG1 4Å; N398-V529 PolarHBondContact ND2-O 3.4Å; Q400-V529 HydrophobicContact CG-CG1 3.99Å; L404-V529 HydrophobicContact CD2-CG1 4.16Å; L404-V529 HydrophobicContact CD2-CG2 3.6Å; V525-V529 HydrophobicContact CG1-CB 3.72Å; V525-V529 HydrophobicContact CG1-CG1 3.51Å; P526-V529 HydrophobicContact CB-CB 4.48Å; P526-V529 HydrophobicContact CB-CG2 4.15Å; P526-V529 HydrophobicContact CG-CG2 4.39Å; P526-V529 WeakPolarHBondContact O-CB 3.1Å; P526-V529 PolarHBondContact O-N 3.11Å; P526-V529 VanDerWaalsContact O-N 3.16Å; E527-V529 VanDerWaalsContact C-N 3.32Å; E527-V529 PolarHBondContact O-N 3.37Å; V529-R531 VanDerWaalsContact C-N 3.32Å; V529-R531 PolarHBondContact O-N 3.08Å; V529-V532 VanDerWaalsContact O-CB 3.31Å; V529-V532 WeakPolarHBondContact O-CB 3.42Å; V529-V532 WeakPolarHBondContact O-CG2 3Å; V529-V532 PolarHBondContact O-N 3.44Å
530	L	98.3	Very high	97.9	Very high	33 Å²	33	64 Å²	64	17%	0.173	32%	0.322	C	S	.	.	H	α-helix	trans	-61.6	-38.9	176.7	-73.6	176.1	0	0	0	112.5	V365 K522 V525 P526 E527 V532 F533	V365-L530 HydrophobicContact CG1-CD2 4.29Å; V365-L530 HydrophobicContact CG2-CD2 4.3Å; K522-L530 HydrophobicContact CB-CD1 4.49Å; K522-L530 HydrophobicContact CB-CD2 4.19Å; K522-L530 HydrophobicContact CG-CD2 4.08Å; V525-L530 HydrophobicContact CB-CD2 3.85Å; V525-L530 HydrophobicContact CB-CG 3.97Å; V525-L530 HydrophobicContact CG1-CD2 3.9Å; V525-L530 HydrophobicContact CG1-CG 3.89Å; P526-L530 PolarHBondContact O-N 3.31Å; E527-L530 PolarHBondContact O-N 3.02Å; L530-V532 PolarHBondContact O-N 3.17Å; L530-V532 VanDerWaalsContact O-N 3.12Å; L530-F533 HydrophobicContact CD2-CE2 4.5Å; L530-F533 WeakPolarHBondContact O-CB 3.41Å; L530-F533 WeakPolarHBondContact O-CD2 3.2Å; L530-F533 PolarHBondContact O-N 3.1Å
531	R	98	Very high	97.9	Very high	137 Å²	137	66.5 Å²	66.5	52%	0.517	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-61.4	-18.9	177.4	-75	-173.1	-63.9	-121.6	3.2	114.3	E527 V529 F533 D534	E527-R531 WeakPolarHBondContact O-CG 3.29Å; E527-R531 PolarHBondContact O-N 3Å; V529-R531 VanDerWaalsContact C-N 3.32Å; V529-R531 PolarHBondContact O-N 3.08Å; R531-F533 PolarHBondContact O-N 2.8Å; R531-D534 WeakPolarHBondContact O-CB 3.32Å; R531-D534 PolarHBondContact O-N 2.78Å; R531-D534 VanDerWaalsContact O-N 3.09Å
532	V	98	Very high	97.8	Very high	6 Å²	6	66 Å²	66	4%	0.036	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-61.4	-30.6	174.2	176.7	0	0	0	0	111.1	D378 A380 N398 V529 L530 D534 M535	D378-V532 HydrophobicContact CB-CG2 4.42Å; A380-V532 HydrophobicContact CB-CG1 4.17Å; N398-V532 HydrophobicContact CB-CG1 4.38Å; V529-V532 VanDerWaalsContact O-CB 3.31Å; V529-V532 WeakPolarHBondContact O-CB 3.42Å; V529-V532 WeakPolarHBondContact O-CG2 3Å; V529-V532 PolarHBondContact O-N 3.44Å; L530-V532 PolarHBondContact O-N 3.17Å; L530-V532 VanDerWaalsContact O-N 3.12Å; V532-D534 PolarHBondContact O-N 3.21Å; V532-M535 HydrophobicContact CB-SD 4.49Å; V532-M535 HydrophobicContact CG1-SD 4.27Å; V532-M535 WeakPolarHBondContact O-CB 3.2Å; V532-M535 WeakPolarHBondContact O-CG 2.87Å; V532-M535 PolarHBondContact O-N 2.77Å; V532-M535 VanDerWaalsContact O-N 3.16Å
533	F	96.9	Very high	97.7	Very high	49 Å²	49	66.2 Å²	66.2	22%	0.215	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-68.3	-14.8	176.8	-67.8	-71.8	0	0	0	114	V365 C366 L367 N398 L530 R531 M535	V365-F533 HydrophobicContact CB-CE2 3.59Å; V365-F533 HydrophobicContact CB-CZ 3.61Å; V365-F533 HydrophobicContact CG1-CD2 4.12Å; V365-F533 HydrophobicContact CG1-CE2 3.65Å; V365-F533 HydrophobicContact CG1-CZ 3.98Å; V365-F533 HydrophobicContact CG2-CE2 4.26Å; C366-F533 WeakPolarHBondContact O-CZ 3.16Å; L367-F533 HydrophobicContact CD2-CE2 4.22Å; L367-F533 HydrophobicContact CD2-CZ 4.09Å; N398-F533 HydrophobicContact CB-CD1 4.38Å; N398-F533 HydrophobicContact CB-CE1 3.66Å; N398-F533 HydrophobicContact CB-CE2 3.96Å; N398-F533 HydrophobicContact CB-CZ 3.4Å; N398-F533 VanDerWaalsContact CB-CZ 3.4Å; N398-F533 VanDerWaalsContact ND2-CE2 3.26Å; N398-F533 WeakPolarHBondContact ND2-CE2 3.44Å; L530-F533 HydrophobicContact CD2-CE2 4.5Å; L530-F533 WeakPolarHBondContact O-CB 3.41Å; L530-F533 WeakPolarHBondContact O-CD2 3.2Å; L530-F533 PolarHBondContact O-N 3.1Å; R531-F533 PolarHBondContact O-N 2.8Å; F533-M535 VanDerWaalsContact C-N 3.33Å
534	D	96.8	Very high	97.7	Very high	139 Å²	139	61.2 Å²	61.2	74%	0.743	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-87.5	-4.7	176.1	-58.5	-40.7	0	0	0	112.6	R531 V532	R531-D534 WeakPolarHBondContact O-CB 3.32Å; R531-D534 PolarHBondContact O-N 2.78Å; R531-D534 VanDerWaalsContact O-N 3.09Å; V532-D534 PolarHBondContact O-N 3.21Å
535	M	97	Very high	97.6	Very high	74 Å²	74	61.4 Å²	61.4	37%	0.365	32%	0.318	S	S	.	.	S	Bend	trans	-81.8	151.4	178.7	-58.5	179.9	64.6	0	0	111.5	A380 V532 F533 P537	A380-M535 HydrophobicContact CB-CB 4.41Å; V532-M535 HydrophobicContact CB-SD 4.49Å; V532-M535 HydrophobicContact CG1-SD 4.27Å; V532-M535 WeakPolarHBondContact O-CB 3.2Å; V532-M535 WeakPolarHBondContact O-CG 2.87Å; V532-M535 PolarHBondContact O-N 2.77Å; V532-M535 VanDerWaalsContact O-N 3.16Å; F533-M535 VanDerWaalsContact C-N 3.33Å; M535-P537 WeakPolarHBondContact O-CD 3.34Å
536	D	97	Very high	97.4	Very high	155 Å²	155	61 Å²	61	83%	0.829	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-64.5	119.9	168.1	-71.5	-34.7	0	0	0	109.5
537	P	97.9	Very high	97.1	Very high	43 Å²	43	59 Å²	59	28%	0.279	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-73.4	138.6	-173.8	29.4	-35.6	0	0	0	111.8	A380 T382 L396 M535 V539	A380-P537 HydrophobicContact CB-CB 4.06Å; A380-P537 CarbonylContact O-C 3.59Å; A380-P537 WeakPolarHBondContact O-CA 3.36Å; T382-P537 HydrophobicContact CG2-CB 4.08Å; T382-P537 HydrophobicContact CG2-CG 4.05Å; L396-P537 HydrophobicContact CD2-CB 3.88Å; L396-P537 HydrophobicContact CD2-CG 3.81Å; M535-P537 WeakPolarHBondContact O-CD 3.34Å; P537-V539 PolarHBondContact O-N 3.27Å
538	I	98.3	Very high	96.4	Very high	76 Å²	76	54.2 Å²	54.2	39%	0.39	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	123.6	171.2	-61.3	171.3	0	0	0	108.7	Q379 A380 Y381 T382 L540	Q379-I538 HydrophobicContact CB-CD1 4.44Å; A380-I538 PolarHBondContact O-N 2.86Å; Y381-I538 WeakPolarHBondContact CA-O 3.45Å; Y381-I538 HydrophobicContact CD1-CB 3.71Å; Y381-I538 HydrophobicContact CD1-CD1 4.44Å; Y381-I538 HydrophobicContact CD1-CG2 4.02Å; Y381-I538 HydrophobicContact CE1-CB 3.9Å; Y381-I538 HydrophobicContact CE1-CD1 3.79Å; Y381-I538 HydrophobicContact CE1-CG1 4.4Å; Y381-I538 HydrophobicContact CE1-CG2 4.06Å; T382-I538 PolarHBondContact N-O 3.22Å; I538-L540 PolarHBondContact O-N 2.72Å
539	V	98	Very high	94.9	Very high	96 Å²	96	50 Å²	50	58%	0.582	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.1	110	-178.2	-173.8	0	0	0	0	110.6	T382 D384 P537	T382-V539 HydrophobicContact CG2-CB 4.26Å; T382-V539 HydrophobicContact CG2-CG1 4.38Å; T382-V539 HydrophobicContact CG2-CG2 3.79Å; D384-V539 HydrophobicContact CB-CG1 3.92Å; P537-V539 PolarHBondContact O-N 3.27Å
540	L	98	Very high	92.7	Very high	19 Å²	19	50.5 Å²	50.5	10%	0.099	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	153.9	172.4	-59.4	177	0	0	0	110.7	Y381 T382 V383 D384 I538 D544	Y381-L540 HydrophobicContact CD1-CD1 4.16Å; Y381-L540 HydrophobicContact CD1-CD2 3.95Å; Y381-L540 HydrophobicContact CD1-CG 4.08Å; Y381-L540 HydrophobicContact CE1-CD2 4.5Å; Y381-L540 HydrophobicContact CG-CD1 4.44Å; T382-L540 WeakPolarHBondContact O-CB 3.33Å; T382-L540 PolarHBondContact O-N 3.39Å; V383-L540 HydrophobicContact CG2-CB 4.19Å; V383-L540 HydrophobicContact CG2-CD1 4.36Å; D384-L540 PolarHBondContact N-O 2.84Å; I538-L540 PolarHBondContact O-N 2.72Å; L540-D544 HydrophobicContact CB-CB 3.94Å
541	P	97.5	Very high	90.4	Very high	51 Å²	51	57 Å²	57	33%	0.331	29%	0.294	S	S	.	.			trans	-64.4	152.5	178.1	27.5	-35.1	0	0	0	111.8	V383 W543 D544	V383-P541 WeakPolarHBondContact CG1-O 3.39Å; P541-W543 HydrophobicContact CB-CD2 4.06Å; P541-W543 HydrophobicContact CB-CH2 4.18Å; P541-W543 HydrophobicContact CB-CZ2 3.66Å; P541-W543 HydrophobicContact CG-CZ2 4.46Å; P541-W543 PolarHBondContact O-N 3.38Å; P541-D544 HydrophobicContact CG-CB 4.24Å; P541-D544 WeakPolarHBondContact O-CB 3.36Å; P541-D544 PolarHBondContact O-N 3.2Å
542	A	97.2	Very high	90	Very high	10 Å²	10	53 Å²	53	8%	0.083	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-26.5	-175.9	0	0	0	0	0	115.1	L229 F232 D384 C385	L229-A542 HydrophobicContact CD1-CB 3.48Å; L229-A542 VanDerWaalsContact CD1-CB 3.48Å; F232-A542 HydrophobicContact CD1-CB 3.76Å; F232-A542 VanDerWaalsContact CE1-C 3.43Å; F232-A542 HydrophobicContact CE1-CB 3.76Å; F232-A542 WeakPolarHBondContact CE1-O 3.41Å; F232-A542 WeakPolarHBondContact CZ-O 3.39Å; D384-A542 WeakPolarHBondContact O-CA 3.33Å; D384-A542 WeakPolarHBondContact O-CB 3.48Å; C385-A542 HydrophobicContact CB-CB 4.42Å
543	W	96.1	Very high	89.6	Confident	86 Å²	86	55.5 Å²	55.5	33%	0.326	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	14.5	178.5	58	75.9	0	0	0	113.7	R228 L229 F232 P541	R228-W543 HydrophobicContact CB-CH2 4.23Å; R228-W543 HydrophobicContact CB-CZ3 4.15Å; R228-W543 HydrophobicContact CG-CD2 4.29Å; R228-W543 HydrophobicContact CG-CE3 3.95Å; R228-W543 HydrophobicContact CG-CH2 3.92Å; R228-W543 HydrophobicContact CG-CZ2 4.26Å; R228-W543 HydrophobicContact CG-CZ3 3.76Å; L229-W543 HydrophobicContact CB-CZ3 4.1Å; L229-W543 HydrophobicContact CD1-CZ3 4.37Å; F232-W543 HydrophobicContact CB-CE3 4.42Å; F232-W543 HydrophobicContact CD2-CB 3.67Å; F232-W543 HydrophobicContact CE2-CB 3.72Å; F232-W543 HydrophobicContact CG-CB 4.09Å; F232-W543 HydrophobicContact CZ-CB 4.2Å; P541-W543 HydrophobicContact CB-CD2 4.06Å; P541-W543 HydrophobicContact CB-CH2 4.18Å; P541-W543 HydrophobicContact CB-CZ2 3.66Å; P541-W543 HydrophobicContact CG-CZ2 4.46Å; P541-W543 PolarHBondContact O-N 3.38Å
544	D	97.5	Very high	89.2	Confident	11 Å²	11	55.8 Å²	55.8	6%	0.059	30%	0.301	C	S	.	.			trans	-64.6	136.7	178.4	-165.9	-83.8	0	0	0	111.5	R372 L540 P541 M546 G547	R372-D544 IonicContact CZ-OD1 2.67Å; R372-D544 IonicContact CZ-OD2 3.23Å; R372-D544 IonicContact NH1-OD1 3.85Å; R372-D544 PolarHBondContact NH1-OD1 3.4Å; R372-D544 IonicContact NH1-OD2 3.19Å; R372-D544 PolarHBondContact NH1-OD2 3.31Å; R372-D544 IonicContact NH2-OD1 2.84Å; R372-D544 PolarHBondContact NH2-OD1 3.5Å; R372-D544 IonicContact NH2-OD2 2.99Å; R372-D544 PolarHBondContact NH2-OD2 3.18Å; L540-D544 HydrophobicContact CB-CB 3.94Å; P541-D544 HydrophobicContact CG-CB 4.24Å; P541-D544 WeakPolarHBondContact O-CB 3.36Å; P541-D544 PolarHBondContact O-N 3.2Å; D544-M546 PolarHBondContact O-N 2.9Å; D544-M546 VanDerWaalsContact O-N 3.15Å; D544-M546 WeakPolarHBondContact OD1-CB 3.4Å; D544-M546 PolarHBondContact OD1-N 2.9Å; D544-G547 PolarHBondContact O-N 3.35Å
545	P	96.3	Very high	88.8	Confident	24 Å²	24	50.9 Å²	50.9	16%	0.156	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-63.7	-17.4	-178.1	26.9	-37.7	0	0	0	114.3	L461 A467 G547 T548	L461-P545 HydrophobicContact CB-CG 4.32Å; L461-P545 HydrophobicContact CD2-CB 3.98Å; L461-P545 HydrophobicContact CD2-CG 4.11Å; A467-P545 HydrophobicContact CB-CB 3.91Å; P545-G547 VanDerWaalsContact C-N 3.25Å; P545-G547 PolarHBondContact O-N 2.78Å; P545-T548 PolarHBondContact O-OG1 2.73Å
546	M	95.5	Very high	88.2	Confident	3 Å²	3	49.5 Å²	49.5	2%	0.015	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-75.1	-16.4	173.1	-66.9	-56.2	-57.8	0	0	112.9	V368 D370 Y397 L461 M468 F516 D544 T548	V368-M546 HydrophobicContact CB-CE 3.71Å; V368-M546 HydrophobicContact CG1-CE 3.89Å; V368-M546 HydrophobicContact CG2-CE 4.13Å; D370-M546 HydrophobicContact CB-CE 4.48Å; D370-M546 HydrophobicContact CB-CG 4.22Å; D370-M546 HydrophobicContact CB-SD 4.04Å; Y397-M546 HydrophobicContact CE2-CB 4.35Å; Y397-M546 PolarHBondContact OH-O 3.02Å; L461-M546 HydrophobicContact CD2-SD 4.49Å; M468-M546 HydrophobicContact CE-CE 4.31Å; F516-M546 HydrophobicContact CB-CE 4.41Å; F516-M546 HydrophobicContact CD1-SD 4.47Å; D544-M546 PolarHBondContact O-N 2.9Å; D544-M546 VanDerWaalsContact O-N 3.15Å; D544-M546 WeakPolarHBondContact OD1-CB 3.4Å; D544-M546 PolarHBondContact OD1-N 2.9Å; M546-T548 VanDerWaalsContact C-N 3.34Å
547	G	90.8	Very high	87.7	Confident	10 Å²	10	42.5 Å²	42.5	10%	0.103	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-83	-7.2	176.3	0	0	0	0	0	114.4	Q243 D544 P545	Q243-G547 PolarHBondContact NE2-O 3.45Å; D544-G547 PolarHBondContact O-N 3.35Å; P545-G547 VanDerWaalsContact C-N 3.25Å; P545-G547 PolarHBondContact O-N 2.78Å
548	T	83	Confident	86.9	Confident	20 Å²	20	42.4 Å²	42.4	12%	0.123	23%	0.228	C	C	.	.			trans	-84.8	140.4	-176.8	68.3	0	0	0	0	111.4	Q243 A467 M468 P545 M546	Q243-T548 PolarHBondContact NE2-O 3.11Å; A467-T548 WeakPolarHBondContact CB-OG1 3.06Å; M468-T548 WeakPolarHBondContact CB-O 3.41Å; M468-T548 PolarHBondContact N-OG1 3.36Å; M468-T548 CarbonylContact O-C 2.85Å; M468-T548 WeakPolarHBondContact O-CB 3.05Å; M468-T548 PolarHBondContact O-OG1 2.89Å; P545-T548 PolarHBondContact O-OG1 2.73Å; M546-T548 VanDerWaalsContact C-N 3.34Å
549	L	67.5	Low	86.1	Confident	4 Å²	4	39.8 Å²	39.8	2%	0.021	22%	0.216	C	C	.	.	S	Bend	trans	-158.9	123.9	162.9	-156.3	160.3	0	0	0	107.3	C170 W171 G241 G242 W420 M468 A471 Q551	C170-L549 VanDerWaalsContact SG-CD2 3.58Å; W171-L549 HydrophobicContact CB-CD1 4.46Å; W171-L549 HydrophobicContact CB-CD2 3.89Å; G241-L549 WeakPolarHBondContact CA-O 3.46Å; G242-L549 WeakPolarHBondContact O-CB 3.48Å; G242-L549 WeakPolarHBondContact O-CD1 3.25Å; W420-L549 HydrophobicContact CH2-CD1 3.43Å; W420-L549 VanDerWaalsContact CH2-CD1 3.43Å; W420-L549 HydrophobicContact CZ2-CD1 3.54Å; M468-L549 HydrophobicContact CG-CD1 4.44Å; M468-L549 HydrophobicContact CG-CG 4.26Å; M468-L549 WeakPolarHBondContact O-CA 3.27Å; M468-L549 HydrophobicContact SD-CB 4.36Å; M468-L549 HydrophobicContact SD-CD1 3.53Å; M468-L549 VanDerWaalsContact SD-CD1 3.53Å; M468-L549 HydrophobicContact SD-CG 3.92Å; A471-L549 HydrophobicContact CB-CD1 4.14Å; A471-L549 HydrophobicContact CB-CD2 3.88Å; L549-Q551 PolarHBondContact O-N 2.9Å
550	A	51.1	Low	85.1	Confident	14 Å²	14	35.2 Å²	35.2	12%	0.116	19%	0.185	C	C	.	.			trans	57.1	43.3	-179.3	0	0	0	0	0	116.1	G168 C170 T469	G168-A550 VanDerWaalsContact O-CB 3.31Å; G168-A550 WeakPolarHBondContact O-CB 3.23Å; C170-A550 VanDerWaalsContact SG-CB 3.52Å; T469-A550 WeakPolarHBondContact O-CA 3.37Å; T469-A550 PolarHBondContact O-N 3.48Å
551	Q	50.3	Low	83.9	Confident	170 Å²	170	36.6 Å²	36.6	79%	0.794	19%	0.193	S	C	*	.			trans	-80.4	0	169.6	-67.5	-172.1	9.9	0	0	112.4	L549	L549-Q551 PolarHBondContact O-N 2.9Å

Retrieved 551 of 551 residues in 525.2 ms (Link to these results)

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