X2JKD2_DROME Loading...

DNA topoisomerase I

Releases the supercoiling and torsional tension of DNA introduced during the DNA replication and transcription by transiently cleaving and rejoining one strand of the DNA duplex. Introduces a single-strand break via transesterification at the specific target site 5'-[CT]CCTTp site in duplex DNA. The scissile phosphodiester is attacked by the catalytic tyrosine of the enzyme, resulting in the formation of a DNA-(3'-phosphotyrosyl)-enzyme intermediate and the expulsion of a 5'-OH DNA strand. The free DNA strand then undergoes passage around the unbroken strand thus removing DNA supercoils. Finally, in the religation step, the DNA 5'-OH attacks the covalent intermediate to expel the active-site tyrosine and restore the DNA phosphodiester backbone.

AlphaFold DB , UniProt , Accession X2JKD2, Species DROME (Drosophila melanogaster, Fruit fly), Gene Top1, Length 593 aa.

Structure Viewer

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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	31.1	Very low	26.6	Very low	234 Å²	234	176.6 Å²	176.6	100%	1.153	88%	0.875	S	S	*	*				0	127.4	0	-75.5	178.4	-162.7	0	0	108.8
2	L	27.1	Very low	26.8	Very low	151 Å²	151	176.3 Å²	176.3	79%	0.791	87%	0.869	S	S	*	*			trans	28.4	113.3	158.8	-73.9	103.5	0	0	0	120
3	R	24.8	Very low	27.3	Very low	236 Å²	236	179.2 Å²	179.2	89%	0.891	87%	0.874	S	S	*	*				76.2	117	88.5	-78.6	-169	-179.8	-170.9	0.7	115.1
4	S	24.8	Very low	27.6	Very low	118 Å²	118	177.4 Å²	177.4	83%	0.825	86%	0.863	S	S	*	*				146.4	134.5	113.7	-167.2	0	0	0	0	114.2
5	W	22.8	Very low	28	Very low	234 Å²	234	173.3 Å²	173.3	89%	0.886	86%	0.86	S	S	*	*			trans	-72.2	163	168.1	-76.2	43.2	0	0	0	113.1
6	V	26.2	Very low	28.2	Very low	133 Å²	133	171.2 Å²	171.2	81%	0.806	86%	0.859	S	S	*	*				143.2	130	120.9	173.3	0	0	0	0	115.1
7	A	26.1	Very low	28.5	Very low	86 Å²	86	168.7 Å²	168.7	71%	0.711	86%	0.859	S	S	*	*			trans	77.4	97.3	148	0	0	0	0	0	122.2
8	L	26.4	Very low	28.6	Very low	182 Å²	182	166.8 Å²	166.8	95%	0.953	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-78.9	129.7	144.2	-83.2	156.4	0	0	0	109.8
9	R	27.2	Very low	28.7	Very low	234 Å²	234	165 Å²	165	88%	0.883	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-75.9	148.6	179.6	-59.1	-178.8	-163.1	-169.6	4.4	111.9
10	P	29	Very low	28.9	Very low	121 Å²	121	164.9 Å²	164.9	79%	0.786	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-88.6	145.4	167.8	32.9	-27.7	0	0	0	112.4
11	F	27.1	Very low	29.2	Very low	214 Å²	214	159.4 Å²	159.4	94%	0.939	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-53.1	127.9	176	-97.7	-111.1	0	0	0	113.7
12	E	29.4	Very low	29.2	Very low	173 Å²	173	156.1 Å²	156.1	81%	0.808	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-77.8	121.3	173.4	-82.4	175.7	148.3	0	0	112.4	Q14	E12-Q14 PolarHBondContact O-N 3.07Å
13	K	33.1	Very low	29.4	Very low	213 Å²	213	160.3 Å²	160.3	93%	0.926	82%	0.82	S	S	*	*			trans	-80.7	86.7	153.9	-80.9	178	174.3	175.3	0	108.7
14	Q	31.6	Very low	30.1	Very low	154 Å²	154	157.6 Å²	157.6	72%	0.72	82%	0.819	S	S	*	*			trans	-144.1	81.4	163.4	-92.8	-172.6	2	0	0	109.9	E12	E12-Q14 PolarHBondContact O-N 3.07Å
15	S	33.4	Very low	30.4	Very low	117 Å²	117	159.8 Å²	159.8	82%	0.818	82%	0.821	S	S	*	*	S	Bend	trans	-161.5	110.6	158.2	-86.1	0	0	0	0	106.8
16	V	31.1	Very low	30.8	Very low	139 Å²	139	153 Å²	153	84%	0.842	81%	0.814	S	S	*	*	S	Bend	trans	156.4	-18.2	160	168.9	0	0	0	0	109.8	L18	V16-L18 PolarHBondContact O-N 3.4Å
17	C	33.8	Very low	31	Very low	129 Å²	129	153.6 Å²	153.6	87%	0.872	82%	0.818	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	-1.7	-179.8	-133.7	0	0	0	0	115.7
18	L	29.4	Very low	31.4	Very low	135 Å²	135	153.7 Å²	153.7	71%	0.707	82%	0.819	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.2	-2.5	-169	-108.9	142.7	0	0	0	116.1	V16	V16-L18 PolarHBondContact O-N 3.4Å
19	V	30.7	Very low	31.7	Very low	132 Å²	132	151.6 Å²	151.6	80%	0.8	81%	0.814	S	S	*	*	S	Bend	trans	-98.3	-12.7	-177.4	-175.7	0	0	0	0	113.5
20	L	33.6	Very low	31.8	Very low	162 Å²	162	147.3 Å²	147.3	85%	0.848	81%	0.813	S	S	*	*	S	Bend	trans	-101.3	-12.2	178.7	-74.5	163.5	0	0	0	114.2
21	G	35.1	Very low	32.3	Very low	50 Å²	50	146.8 Å²	146.8	52%	0.515	82%	0.819	S	S	.	*	S	Bend	trans	-81.7	-21.9	-177	0	0	0	0	0	115.7
22	Q	30.2	Very low	32.4	Very low	165 Å²	165	139.6 Å²	139.6	77%	0.771	81%	0.805	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	-2.7	-172.4	-87.9	179.4	-19.3	0	0	115.6
23	R	32.6	Very low	32.5	Very low	240 Å²	240	141.8 Å²	141.8	91%	0.906	81%	0.812	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	0.2	174.7	-91.7	-176.6	170.8	-174.5	-2.1	115.1
24	M	39.5	Very low	32.3	Very low	179 Å²	179	143.4 Å²	143.4	88%	0.882	81%	0.812	S	S	*	*	S	Bend	trans	-103.9	3.4	-177.1	-91.4	-171.1	171.7	0	0	115.5
25	L	30.8	Very low	32.1	Very low	163 Å²	163	147.2 Å²	147.2	85%	0.853	82%	0.82	S	S	*	*	S	Bend	trans	-102	11.3	-176.3	-106	140.3	0	0	0	115.4
26	A	30.4	Very low	31.9	Very low	91 Å²	91	153.5 Å²	153.5	75%	0.752	83%	0.826	S	S	*	*	S	Bend	trans	-127	43.4	-179.3	0	0	0	0	0	113.7
27	V	31.1	Very low	31.8	Very low	147 Å²	147	153 Å²	153	89%	0.891	82%	0.823	S	S	*	*	S	Bend	trans	-148.1	60.8	161.2	-164.9	0	0	0	0	109.8
28	A	33.3	Very low	31.6	Very low	87 Å²	87	158.1 Å²	158.1	72%	0.719	82%	0.824	S	S	*	*			trans	-141.6	45.6	178.8	0	0	0	0	0	113.4
29	T	33.1	Very low	31.6	Very low	138 Å²	138	163.1 Å²	163.1	85%	0.847	83%	0.833	S	S	*	*			trans	-160.4	78.3	165.7	35	0	0	0	0	111.6
30	V	29.5	Very low	31.5	Very low	145 Å²	145	166.5 Å²	166.5	88%	0.879	84%	0.837	S	S	*	*			trans	-152.5	109.4	144.4	-174.5	0	0	0	0	108.3	G32	V30-G32 PolarHBondContact O-N 3.22Å
31	A	40	Very low	31.4	Very low	110 Å²	110	163.5 Å²	163.5	91%	0.909	83%	0.83	S	S	*	*			trans	-74.5	117.5	167.9	0	0	0	0	0	109.3
32	G	28.4	Very low	31.3	Very low	62 Å²	62	167.4 Å²	167.4	64%	0.639	84%	0.844	S	S	*	*			trans	-161.2	129.2	177.7	0	0	0	0	0	111.9	V30 R34	V30-G32 PolarHBondContact O-N 3.22Å; G32-R34 PolarHBondContact O-N 3.4Å; G32-R34 VanDerWaalsContact O-N 3.15Å
33	K	32.3	Very low	31.6	Very low	219 Å²	219	167.9 Å²	167.9	95%	0.952	85%	0.846	S	S	*	*			trans	-34.3	108.5	-178.6	-78.9	168.1	171.6	170	0	113.9	R35	K33-R35 PolarHBondContact O-N 3.16Å; K33-R35 VanDerWaalsContact O-N 3.16Å
34	R	27.9	Very low	32.5	Very low	247 Å²	247	163.8 Å²	163.8	93%	0.932	84%	0.837	S	S	*	*			trans	-78.4	98.1	170.8	-86.1	-176.8	173.4	179.2	-0.4	111.2	G32 R36	G32-R34 PolarHBondContact O-N 3.4Å; G32-R34 VanDerWaalsContact O-N 3.15Å; R34-R36 PolarHBondContact O-N 2.91Å
35	R	27.7	Very low	33.3	Very low	234 Å²	234	164.3 Å²	164.3	88%	0.883	84%	0.837	S	S	*	*			trans	-52.9	125.2	155	-126.7	170.5	158.9	-178.6	-6.4	108.1	K33 V37	K33-R35 PolarHBondContact O-N 3.16Å; K33-R35 VanDerWaalsContact O-N 3.16Å; R35-V37 VanDerWaalsContact C-N 3.3Å; R35-V37 PolarHBondContact O-N 3.4Å
36	R	29.2	Very low	35.1	Very low	249 Å²	249	161.8 Å²	161.8	94%	0.94	82%	0.821	S	S	*	*			trans	-70.2	85	179.9	-163.3	177.4	-178.4	-179.7	0.4	109.2	R34 R38	R34-R36 PolarHBondContact O-N 2.91Å; R36-R38 PolarHBondContact O-N 3.29Å; R36-R38 VanDerWaalsContact O-N 3.1Å
37	V	29.1	Very low	37.4	Very low	129 Å²	129	159.6 Å²	159.6	78%	0.782	80%	0.796	S	S	*	*			trans	-64.3	110.5	169.2	179.7	0	0	0	0	107	R35 R39	R35-V37 VanDerWaalsContact C-N 3.3Å; R35-V37 PolarHBondContact O-N 3.4Å; V37-R39 PolarHBondContact O-N 2.83Å
38	R	29.5	Very low	40.1	Very low	236 Å²	236	158.2 Å²	158.2	89%	0.891	78%	0.775	S	S	*	*			trans	-54.3	107.6	165.1	-94.2	177.3	165.2	174.2	-4.7	106.7	R36 K40	R36-R38 PolarHBondContact O-N 3.29Å; R36-R38 VanDerWaalsContact O-N 3.1Å; R38-K40 PolarHBondContact O-N 3.01Å
39	R	30.3	Very low	42.8	Very low	241 Å²	241	155 Å²	155	91%	0.909	74%	0.744	S	S	*	*			trans	-56.2	108.8	160	-91.8	-180	169.4	172.2	-3.6	105.8	V37 S41	V37-R39 PolarHBondContact O-N 2.83Å; R39-S41 PolarHBondContact O-N 3.37Å
40	K	28.1	Very low	45.5	Very low	202 Å²	202	149.8 Å²	149.8	88%	0.878	71%	0.709	S	S	*	*			trans	-54.6	107.8	160.7	-85	179.4	172.7	-179.4	0	105.4	R38 V42	R38-K40 PolarHBondContact O-N 3.01Å; K40-V42 PolarHBondContact O-N 3.46Å; K40-V42 VanDerWaalsContact O-N 3.17Å
41	S	31.5	Very low	48.2	Very low	100 Å²	100	148.6 Å²	148.6	70%	0.699	69%	0.694	S	S	*	*			trans	-60.3	116.8	165	48.2	0	0	0	0	105.7	R39 Q43	R39-S41 PolarHBondContact O-N 3.37Å; S41-Q43 VanDerWaalsContact C-N 3.3Å; S41-Q43 PolarHBondContact O-N 3.23Å
42	V	32.9	Very low	50.4	Low	132 Å²	132	146.7 Å²	146.7	80%	0.8	67%	0.666	S	S	*	*			trans	-56.1	107.2	159.4	-178.7	0	0	0	0	104.2	K40 E44	K40-V42 PolarHBondContact O-N 3.46Å; K40-V42 VanDerWaalsContact O-N 3.17Å; V42-E44 VanDerWaalsContact C-N 3.29Å; V42-E44 PolarHBondContact O-N 3.37Å
43	Q	36.9	Very low	52.9	Low	175 Å²	175	152.4 Å²	152.4	82%	0.818	68%	0.676	S	S	*	*			trans	-63.2	102.3	167.4	-104.7	169.7	-33.8	0	0	104	S41 E45	S41-Q43 VanDerWaalsContact C-N 3.3Å; S41-Q43 PolarHBondContact O-N 3.23Å; Q43-E45 PolarHBondContact O-N 2.91Å; Q43-E45 VanDerWaalsContact O-N 3.15Å
44	E	51.5	Low	54.9	Low	154 Å²	154	149.5 Å²	149.5	72%	0.72	66%	0.664	S	S	*	*			trans	-52.1	123.5	165.4	-74.8	177.6	157.5	0	0	106.3	V42 Q46	V42-E44 VanDerWaalsContact C-N 3.29Å; V42-E44 PolarHBondContact O-N 3.37Å; E44-Q46 PolarHBondContact O-N 3.47Å
45	E	56	Low	57.1	Low	189 Å²	189	143.1 Å²	143.1	88%	0.883	64%	0.64	S	S	*	*			trans	-55.3	115	-175.3	-166.4	168.6	-161.3	0	0	109	Q43 I47	Q43-E45 PolarHBondContact O-N 2.91Å; Q43-E45 VanDerWaalsContact O-N 3.15Å; E45-I47 PolarHBondContact O-N 3.23Å
46	Q	68.6	Low	58.9	Low	110 Å²	110	137 Å²	137	51%	0.514	64%	0.639	S	S	.	*			trans	-84.6	103.2	-167.8	-171.8	167.6	11.6	0	0	108.4	E44 R48 L581	E44-Q46 PolarHBondContact O-N 3.47Å; Q46-R48 WeakPolarHBondContact O-CG 3.44Å; Q46-R48 PolarHBondContact O-N 3.14Å; Q46-R48 VanDerWaalsContact O-N 3.12Å; Q46-L581 HydrophobicContact CG-CD2 3.66Å
47	I	79.2	Confident	61.1	Low	46 Å²	46	130.4 Å²	130.4	24%	0.236	62%	0.622	C	S	.	*			trans	-58.8	115.3	-176.6	-57.8	159.5	0	0	0	109.8	E45 W49 H190 E192	E45-I47 PolarHBondContact O-N 3.23Å; I47-W49 VanDerWaalsContact C-N 3.29Å; I47-W49 HydrophobicContact CG2-CB 4.18Å; I47-W49 PolarHBondContact O-N 3.38Å; I47-H190 HydrophobicContact CD1-CB 3.6Å; I47-E192 HydrophobicContact CD1-CG 4.47Å
48	R	87.6	Confident	63.6	Low	118 Å²	118	126 Å²	126	45%	0.445	60%	0.604	S	S	.	*			trans	-94.1	60.8	176.6	-59.1	-168	-177.5	177.5	4.8	110.2	Q46 W50 E51	Q46-R48 WeakPolarHBondContact O-CG 3.44Å; Q46-R48 PolarHBondContact O-N 3.14Å; Q46-R48 VanDerWaalsContact O-N 3.12Å; R48-W50 HydrophobicContact CB-CD2 4.48Å; R48-W50 HydrophobicContact CB-CH2 4.32Å; R48-W50 HydrophobicContact CB-CZ2 3.85Å; R48-W50 HydrophobicContact CG-CH2 4.18Å; R48-W50 HydrophobicContact CG-CZ2 3.72Å; R48-W50 PolarHBondContact O-N 2.8Å; R48-E51 HydrophobicContact CB-CB 4.4Å; R48-E51 HydrophobicContact CB-CG 4.22Å; R48-E51 VanDerWaalsContact CD-CD 3.42Å; R48-E51 WeakPolarHBondContact CD-OE1 3.45Å; R48-E51 WeakPolarHBondContact CD-OE2 3.41Å; R48-E51 IonicContact CZ-OE1 3.63Å; R48-E51 IonicContact NE-OE1 3.55Å; R48-E51 IonicContact NH1-OE1 2.82Å; R48-E51 PolarHBondContact NH1-OE1 3.37Å; R48-E51 VanDerWaalsContact NH1-OE1 3.08Å; R48-E51 IonicContact NH1-OE2 3.71Å; R48-E51 WeakPolarHBondContact O-CB 3.46Å; R48-E51 PolarHBondContact O-N 3.07Å
49	W	89.2	Confident	66.5	Low	20 Å²	20	116.3 Å²	116.3	8%	0.076	57%	0.57	C	S	.	*	G	3₁₀ helix	trans	-56.4	-21.1	-176.2	59.4	-100.2	0	0	0	114	I47 E51 E52 K278 G281 E282 H285 W582	I47-W49 VanDerWaalsContact C-N 3.29Å; I47-W49 HydrophobicContact CG2-CB 4.18Å; I47-W49 PolarHBondContact O-N 3.38Å; W49-E51 PolarHBondContact O-N 3.49Å; W49-E52 PolarHBondContact O-N 2.7Å; W49-K278 HydrophobicContact CB-CB 3.78Å; W49-K278 HydrophobicContact CB-CD 3.68Å; W49-K278 HydrophobicContact CB-CG 3.56Å; W49-K278 HydrophobicContact CD2-CG 4.44Å; W49-K278 HydrophobicContact CG-CB 3.88Å; W49-K278 HydrophobicContact CG-CG 3.94Å; W49-G281 VanDerWaalsContact CZ2-CA 3.5Å; W49-E282 HydrophobicContact CD2-CG 4.34Å; W49-E282 HydrophobicContact CE3-CG 3.48Å; W49-E282 VanDerWaalsContact CE3-CG 3.48Å; W49-E282 HydrophobicContact CH2-CG 4.47Å; W49-E282 HydrophobicContact CZ3-CB 4.3Å; W49-E282 HydrophobicContact CZ3-CG 3.58Å; W49-H285 HydrophobicContact CH2-CB 4.27Å; W49-W582 HydrophobicContact CH2-CB 3.78Å; W49-W582 HydrophobicContact CH2-CD2 4.31Å; W49-W582 AromaticContact CH2-CG 3.76Å; W49-W582 HydrophobicContact CH2-CG 3.76Å; W49-W582 HydrophobicContact CZ2-CB 3.49Å; W49-W582 VanDerWaalsContact CZ2-CB 3.49Å; W49-W582 AromaticContact CZ2-CD1 3.54Å; W49-W582 AromaticContact CZ2-CG 3.58Å; W49-W582 HydrophobicContact CZ2-CG 3.58Å
50	W	89.6	Confident	69.5	Low	28 Å²	28	107.9 Å²	107.9	11%	0.106	54%	0.54	C	S	.	.	G	3₁₀ helix	trans	-75.3	-10.1	176.5	58.8	79.4	0	0	0	113.8	R48 L581 W582 H585 M586	R48-W50 HydrophobicContact CB-CD2 4.48Å; R48-W50 HydrophobicContact CB-CH2 4.32Å; R48-W50 HydrophobicContact CB-CZ2 3.85Å; R48-W50 HydrophobicContact CG-CH2 4.18Å; R48-W50 HydrophobicContact CG-CZ2 3.72Å; R48-W50 PolarHBondContact O-N 2.8Å; W50-L581 HydrophobicContact CH2-CB 4.39Å; W50-L581 HydrophobicContact CH2-CD2 3.48Å; W50-L581 VanDerWaalsContact CH2-CD2 3.48Å; W50-L581 HydrophobicContact CH2-CG 3.58Å; W50-L581 HydrophobicContact CZ2-CG 4.46Å; W50-L581 HydrophobicContact CZ3-CB 4.46Å; W50-L581 HydrophobicContact CZ3-CD2 3.91Å; W50-L581 HydrophobicContact CZ3-CG 4.09Å; W50-W582 HydrophobicContact CB-CB 4.3Å; W50-W582 HydrophobicContact CD2-CB 3.78Å; W50-W582 HydrophobicContact CE3-CB 3.37Å; W50-W582 HydrophobicContact CG-CB 4.19Å; W50-W582 HydrophobicContact CZ3-CB 3.99Å; W50-H585 HydrophobicContact CZ2-CB 3.95Å; W50-H585 AromaticContact CZ2-CD2 3.61Å; W50-H585 AromaticContact CZ2-CG 3.76Å; W50-M586 HydrophobicContact CB-CE 3.76Å; W50-M586 HydrophobicContact CB-SD 3.84Å; W50-M586 HydrophobicContact CG-CE 4.33Å; W50-M586 HydrophobicContact CG-CG 4.31Å; W50-M586 HydrophobicContact CG-SD 4.17Å
51	E	87.6	Confident	72.6	Confident	120 Å²	120	98.6 Å²	98.6	56%	0.561	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-96.3	-7.1	171.7	-64.9	171.1	-171.5	0	0	111.8	R48 W49	R48-E51 HydrophobicContact CB-CB 4.4Å; R48-E51 HydrophobicContact CB-CG 4.22Å; R48-E51 VanDerWaalsContact CD-CD 3.42Å; R48-E51 WeakPolarHBondContact CD-OE1 3.45Å; R48-E51 WeakPolarHBondContact CD-OE2 3.41Å; R48-E51 IonicContact CZ-OE1 3.63Å; R48-E51 IonicContact NE-OE1 3.55Å; R48-E51 IonicContact NH1-OE1 2.82Å; R48-E51 PolarHBondContact NH1-OE1 3.37Å; R48-E51 VanDerWaalsContact NH1-OE1 3.08Å; R48-E51 IonicContact NH1-OE2 3.71Å; R48-E51 WeakPolarHBondContact O-CB 3.46Å; R48-E51 PolarHBondContact O-N 3.07Å; W49-E51 PolarHBondContact O-N 3.49Å
52	E	86	Confident	75.5	Confident	70 Å²	70	97.7 Å²	97.7	33%	0.327	49%	0.493	S	S	.	.	S	Bend	trans	-86.1	155.6	179.8	-64.6	172.9	-146	0	0	112.3	W49 K278	W49-E52 PolarHBondContact O-N 2.7Å; E52-K278 IonicContact OE2-NZ 3.39Å; E52-K278 PolarHBondContact OE2-NZ 2.73Å
53	E	79.8	Confident	78.5	Confident	182 Å²	182	95.1 Å²	95.1	85%	0.85	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-66.2	139.7	173.8	-70	-173	170	0	0	112.1
54	K	75.1	Confident	81.4	Confident	158 Å²	158	87 Å²	87	69%	0.687	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-79.1	135.6	179.4	-66.4	179.8	-176.1	169.1	0	110.4
55	R	73.8	Confident	83.6	Confident	113 Å²	113	83.2 Å²	83.2	43%	0.426	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-80.9	130.8	170.6	-62.3	-170.8	-176.8	158.5	8.5	110.8	D188	R55-D188 IonicContact CZ-OD2 3.47Å; R55-D188 IonicContact NH1-OD2 3.79Å; R55-D188 PolarHBondContact NH1-OD2 3Å; R55-D188 IonicContact NH2-OD2 2.67Å; R55-D188 PolarHBondContact NH2-OD2 3.16Å
56	A	65.4	Low	85.6	Confident	106 Å²	106	74.7 Å²	74.7	88%	0.876	38%	0.383	S	S	*	.			trans	-106.2	-6.1	-176.5	0	0	0	0	0	114.1	G58	A56-G58 VanDerWaalsContact C-N 3.33Å; A56-G58 PolarHBondContact O-N 3.46Å
57	D	75.9	Confident	87	Confident	109 Å²	109	74.3 Å²	74.3	58%	0.583	38%	0.379	S	S	*	.	S	Bend	trans	-85	3.2	-170.7	62.5	-4.5	0	0	0	114.7	V59	D57-V59 HydrophobicContact CB-CG2 4.45Å; D57-V59 PolarHBondContact O-N 2.64Å; D57-V59 WeakPolarHBondContact OD1-CB 3.48Å; D57-V59 PolarHBondContact OD1-N 3.29Å; D57-V59 WeakPolarHBondContact OD2-CG2 3.35Å
58	G	81.6	Confident	87.9	Confident	38 Å²	38	72.4 Å²	72.4	39%	0.392	37%	0.371	S	S	.	.	S	Bend	trans	79.6	-16.1	-176.7	0	0	0	0	0	114.3	A56 K60	A56-G58 VanDerWaalsContact C-N 3.33Å; A56-G58 PolarHBondContact O-N 3.46Å; G58-K60 VanDerWaalsContact O-CE 3.3Å; G58-K60 WeakPolarHBondContact O-CE 3.45Å; G58-K60 PolarHBondContact O-NZ 3.45Å
59	V	90.9	Very high	88.4	Confident	31 Å²	31	67.1 Å²	67.1	19%	0.188	35%	0.352	C	S	.	.			trans	-66	136.4	176.5	179.2	0	0	0	0	110	D57 W61 N252	D57-V59 HydrophobicContact CB-CG2 4.45Å; D57-V59 PolarHBondContact O-N 2.64Å; D57-V59 WeakPolarHBondContact OD1-CB 3.48Å; D57-V59 PolarHBondContact OD1-N 3.29Å; D57-V59 WeakPolarHBondContact OD2-CG2 3.35Å; V59-W61 WeakPolarHBondContact CG1-O 3.36Å; V59-N252 HydrophobicContact CG1-CB 4.16Å
60	K	92.1	Very high	88.8	Confident	64 Å²	64	67.3 Å²	67.3	28%	0.278	36%	0.355	S	S	.	.			trans	-98.4	-24	-178.5	-56.1	-56.8	170.2	-132.6	0	113	G58 N252 T253 T255 L279	G58-K60 VanDerWaalsContact O-CE 3.3Å; G58-K60 WeakPolarHBondContact O-CE 3.45Å; G58-K60 PolarHBondContact O-NZ 3.45Å; K60-N252 WeakPolarHBondContact CB-O 3.49Å; K60-N252 PolarHBondContact N-O 3.3Å; K60-T253 VanDerWaalsContact CG-O 3.24Å; K60-T253 WeakPolarHBondContact CG-O 3.39Å; K60-T255 HydrophobicContact CB-CG2 4.06Å; K60-T255 HydrophobicContact CD-CG2 4.15Å; K60-T255 HydrophobicContact CG-CG2 3.82Å; K60-L279 HydrophobicContact CB-CD1 4.35Å; K60-L279 WeakPolarHBondContact O-CD2 3.39Å
61	W	93.6	Very high	89.1	Confident	8 Å²	8	68.5 Å²	68.5	3%	0.03	36%	0.361	C	S	.	.			trans	-162.4	152.9	179	46	-93.5	0	0	0	109.9	V59 L64 I187 C230 D251 N252 V254	V59-W61 WeakPolarHBondContact CG1-O 3.36Å; W61-L64 HydrophobicContact CD2-CB 3.76Å; W61-L64 HydrophobicContact CD2-CD2 4.16Å; W61-L64 HydrophobicContact CE3-CB 3.68Å; W61-L64 HydrophobicContact CG-CB 4.35Å; W61-L64 HydrophobicContact CH2-CB 4.2Å; W61-L64 HydrophobicContact CH2-CD2 4.36Å; W61-L64 HydrophobicContact CZ2-CB 4.25Å; W61-L64 HydrophobicContact CZ2-CD2 3.72Å; W61-L64 HydrophobicContact CZ3-CB 3.93Å; W61-I187 HydrophobicContact CB-CD1 3.89Å; W61-I187 HydrophobicContact CB-CG1 3.75Å; W61-I187 HydrophobicContact CG-CD1 4.3Å; W61-I187 HydrophobicContact CG-CG1 4.46Å; W61-C230 WeakPolarHBondContact CH2-O 3.19Å; W61-D251 WeakPolarHBondContact CZ2-O 3.47Å; W61-N252 HydrophobicContact CD2-CB 3.98Å; W61-N252 HydrophobicContact CE3-CB 3.88Å; W61-N252 HydrophobicContact CH2-CB 3.98Å; W61-N252 HydrophobicContact CZ2-CB 4.08Å; W61-N252 HydrophobicContact CZ3-CB 3.86Å; W61-N252 WeakPolarHBondContact O-CB 3.28Å; W61-V254 PolarHBondContact NE1-O 3.14Å
62	S	93.3	Very high	89.5	Confident	81 Å²	81	63.8 Å²	63.8	57%	0.566	34%	0.343	S	S	*	.	S	Bend	trans	-98.4	-38.5	172.5	-56.8	0	0	0	0	110.6	D188	S62-D188 WeakPolarHBondContact CA-OD1 3.3Å; S62-D188 WeakPolarHBondContact CB-OD1 3.49Å; S62-D188 PolarHBondContact N-OD1 2.97Å
63	T	95.8	Very high	89.9	Confident	78 Å²	78	65.6 Å²	65.6	48%	0.479	36%	0.361	S	S	.	.			trans	-126.1	142.3	173.5	62.9	0	0	0	0	111.2	I187 D188	T63-I187 WeakPolarHBondContact O-CA 3.37Å; T63-D188 PolarHBondContact N-OD1 2.85Å; T63-D188 PolarHBondContact O-N 3Å; T63-D188 VanDerWaalsContact OG1-CA 3.32Å; T63-D188 WeakPolarHBondContact OG1-CA 3.37Å; T63-D188 PolarHBondContact OG1-N 2.92Å
64	L	97.5	Very high	90.7	Very high	3 Å²	3	67.7 Å²	67.7	2%	0.016	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	116.4	177	179.3	62.5	0	0	0	110.5	W61 M186 I187 N229 G231 S234	W61-L64 HydrophobicContact CD2-CB 3.76Å; W61-L64 HydrophobicContact CD2-CD2 4.16Å; W61-L64 HydrophobicContact CE3-CB 3.68Å; W61-L64 HydrophobicContact CG-CB 4.35Å; W61-L64 HydrophobicContact CH2-CB 4.2Å; W61-L64 HydrophobicContact CH2-CD2 4.36Å; W61-L64 HydrophobicContact CZ2-CB 4.25Å; W61-L64 HydrophobicContact CZ2-CD2 3.72Å; W61-L64 HydrophobicContact CZ3-CB 3.93Å; L64-M186 CarbonylContact C-O 3.6Å; L64-M186 WeakPolarHBondContact CA-O 3.45Å; L64-I187 HydrophobicContact CD1-CB 4.18Å; L64-I187 HydrophobicContact CD1-CD1 4.27Å; L64-I187 HydrophobicContact CD1-CG1 4.22Å; L64-N229 WeakPolarHBondContact CD2-O 3.26Å; L64-G231 PolarHBondContact O-N 3.29Å; L64-S234 WeakPolarHBondContact O-CB 3.26Å; L64-S234 PolarHBondContact O-OG 3.21Å
65	E	98	Very high	91.7	Very high	76 Å²	76	62 Å²	62	36%	0.355	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	134.2	175.2	-169.2	-179	145.5	0	0	110.7	C185 M186	E65-C185 CarbonylContact O-C 3.54Å; E65-C185 VanDerWaalsContact O-CA 3.29Å; E65-C185 WeakPolarHBondContact O-CA 3.46Å; E65-C185 VanDerWaalsContact O-CB 3.24Å; E65-C185 WeakPolarHBondContact O-CB 3.39Å; E65-M186 HydrophobicContact CB-CB 4.35Å; E65-M186 PolarHBondContact N-O 2.69Å; E65-M186 PolarHBondContact O-N 3.44Å
66	H	97.9	Very high	92.7	Very high	9 Å²	9	64.5 Å²	64.5	4%	0.042	35%	0.352	C	S	.	.			trans	-149.8	172.3	175.5	63.3	100.8	0	0	0	110.5	G68 C185 I194 N229 P237 L257	H66-G68 WeakPolarHBondContact ND1-CA 3.48Å; H66-G68 PolarHBondContact ND1-N 3.1Å; H66-G68 VanDerWaalsContact ND1-N 3.11Å; H66-C185 HydrophobicContact CB-CB 3.75Å; H66-I194 HydrophobicContact CB-CD1 4.43Å; H66-N229 PolarHBondContact NE2-O 3.1Å; H66-N229 VanDerWaalsContact NE2-O 3.09Å; H66-P237 WeakPolarHBondContact O-CG 3.37Å; H66-L257 HydrophobicContact CB-CD2 4.12Å; H66-L257 PolarHBondContact CE1-O 3.41Å; H66-L257 PolarHBondContact NE2-O 3.49Å
67	K	97.8	Very high	94.2	Very high	102 Å²	102	64 Å²	64	44%	0.443	33%	0.328	S	S	.	.			trans	-94	10.2	-179	-67	-66.7	-171.8	-179.9	0	114.6	E181 F182	K67-E181 WeakPolarHBondContact CG-O 3.31Å; K67-F182 HydrophobicContact CB-CD1 3.67Å; K67-F182 HydrophobicContact CB-CE1 3.87Å; K67-F182 HydrophobicContact CB-CG 4.45Å; K67-F182 WeakPolarHBondContact O-CE1 3.35Å
68	G	97.4	Very high	95.1	Very high	6 Å²	6	59.4 Å²	59.4	6%	0.062	30%	0.303	C	S	.	.			trans	74.8	-175.6	-172.9	0	0	0	0	0	113.6	H66	H66-G68 WeakPolarHBondContact ND1-CA 3.48Å; H66-G68 PolarHBondContact ND1-N 3.1Å; H66-G68 VanDerWaalsContact ND1-N 3.11Å
69	P	97.7	Very high	95.8	Very high	7 Å²	7	60 Å²	60	5%	0.045	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-77.7	158.1	177.7	31	-35.6	0	0	0	113.4	F71 F197 L199 V226 W245 I271	P69-F71 HydrophobicContact CG-CE2 4.41Å; P69-F197 CarbonylContact C-O 3.49Å; P69-F197 WeakPolarHBondContact CA-O 3.32Å; P69-L199 HydrophobicContact CB-CD1 4.03Å; P69-L199 HydrophobicContact CB-CD2 4.13Å; P69-L199 HydrophobicContact CB-CG 3.82Å; P69-L199 HydrophobicContact CG-CD1 4.15Å; P69-L199 HydrophobicContact CG-CG 4.44Å; P69-V226 HydrophobicContact CG-CG1 4.25Å; P69-W245 HydrophobicContact CG-CH2 3.97Å; P69-W245 HydrophobicContact CG-CZ3 4.13Å; P69-I271 HydrophobicContact CB-CD1 3.61Å
70	V	97.6	Very high	95.9	Very high	25 Å²	25	69.7 Å²	69.7	15%	0.152	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-95	121.2	164.3	175.6	0	0	0	0	109.4	F182 F197 R198 L199	V70-F182 HydrophobicContact CG2-CB 3.62Å; V70-F182 HydrophobicContact CG2-CD1 3.69Å; V70-F182 HydrophobicContact CG2-CD2 3.56Å; V70-F182 HydrophobicContact CG2-CE1 4.22Å; V70-F182 HydrophobicContact CG2-CE2 4.12Å; V70-F182 HydrophobicContact CG2-CG 3.33Å; V70-F182 HydrophobicContact CG2-CZ 4.43Å; V70-F197 HydrophobicContact CB-CD2 4.17Å; V70-F197 HydrophobicContact CB-CE2 4.45Å; V70-F197 HydrophobicContact CG2-CD2 3.68Å; V70-F197 HydrophobicContact CG2-CE2 3.91Å; V70-F197 PolarHBondContact N-O 2.81Å; V70-R198 HydrophobicContact CB-CG 4.2Å; V70-R198 HydrophobicContact CG1-CG 4.46Å; V70-R198 WeakPolarHBondContact O-CA 3.19Å; V70-L199 PolarHBondContact O-N 2.86Å
71	F	97.4	Very high	95.9	Very high	52 Å²	52	71.9 Å²	71.9	23%	0.228	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-71.7	152.3	176.5	-70.6	-91.7	0	0	0	112	P69 L199 I221 A223 P240 W245	P69-F71 HydrophobicContact CG-CE2 4.41Å; F71-L199 HydrophobicContact CD1-CD1 3.48Å; F71-L199 VanDerWaalsContact CD1-CD1 3.48Å; F71-L199 HydrophobicContact CE1-CD1 3.51Å; F71-L199 HydrophobicContact CG-CD1 4.03Å; F71-L199 HydrophobicContact CZ-CD1 4.1Å; F71-I221 WeakPolarHBondContact CD1-O 3.27Å; F71-A223 HydrophobicContact CE1-CB 4.43Å; F71-A223 HydrophobicContact CZ-CB 3.85Å; F71-P240 HydrophobicContact CD2-CG 3.76Å; F71-P240 HydrophobicContact CE2-CG 3.47Å; F71-P240 VanDerWaalsContact CE2-CG 3.47Å; F71-P240 HydrophobicContact CZ-CG 4.14Å; F71-W245 AromaticContact CE2-CH2 3.87Å; F71-W245 HydrophobicContact CE2-CH2 3.87Å; F71-W245 AromaticContact CE2-CZ3 3.99Å; F71-W245 HydrophobicContact CE2-CZ3 3.99Å; F71-W245 HydrophobicContact CZ-CH2 4.04Å; F71-W245 AromaticContact CZ-CZ3 3.66Å; F71-W245 HydrophobicContact CZ-CZ3 3.66Å
72	A	95.9	Very high	96	Very high	21 Å²	21	72.1 Å²	72.1	17%	0.174	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-62.1	140.7	170.8	0	0	0	0	0	110.1	P201 R220	A72-P201 HydrophobicContact CB-CB 4Å; A72-R220 PolarHBondContact O-NH1 3.38Å; A72-R220 VanDerWaalsContact O-NH1 3.07Å
73	P	94.5	Very high	96.2	Very high	109 Å²	109	74.1 Å²	74.1	71%	0.708	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-52.2	148.4	175.4	-25.8	34	0	0	0	112	R220	P73-R220 VanDerWaalsContact O-CZ 3.32Å; P73-R220 PolarHBondContact O-NH1 3.14Å; P73-R220 PolarHBondContact O-NH2 3.33Å
74	R	94.7	Very high	96.3	Very high	226 Å²	226	70.8 Å²	70.8	85%	0.853	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-59.9	153.3	173	-70.6	-171.7	177.3	-178.2	-1	109.9
75	Y	96.6	Very high	96.3	Very high	37 Å²	37	73.4 Å²	73.4	15%	0.145	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-64.6	138.7	175.5	179.2	-126	0	0	0	110.3	R77 E95 E98 E99 T102	Y75-R77 HydrophobicContact CD1-CG 4.49Å; Y75-R77 HydrophobicContact CE1-CG 4.01Å; Y75-E95 HydrophobicContact CD1-CG 3.77Å; Y75-E95 HydrophobicContact CE1-CG 4.26Å; Y75-E98 HydrophobicContact CE1-CB 4.2Å; Y75-E98 HydrophobicContact CE1-CG 4.4Å; Y75-E98 WeakPolarHBondContact OH-CG 3.11Å; Y75-E98 PolarHBondContact OH-OE1 3.44Å; Y75-E99 HydrophobicContact CD1-CB 3.62Å; Y75-E99 HydrophobicContact CD1-CG 4.12Å; Y75-E99 HydrophobicContact CD2-CB 4.01Å; Y75-E99 HydrophobicContact CD2-CG 3.68Å; Y75-E99 HydrophobicContact CE1-CB 3.86Å; Y75-E99 HydrophobicContact CE2-CB 4.25Å; Y75-E99 HydrophobicContact CE2-CG 4.23Å; Y75-E99 HydrophobicContact CG-CB 3.71Å; Y75-E99 HydrophobicContact CG-CG 3.64Å; Y75-T102 HydrophobicContact CE2-CG2 3.81Å; Y75-T102 VanDerWaalsContact OH-CG2 3.25Å; Y75-T102 WeakPolarHBondContact OH-CG2 3.18Å
76	E	96.1	Very high	96.3	Very high	166 Å²	166	71.1 Å²	71.1	78%	0.776	32%	0.323	S	S	*	.			trans	-113.2	118.2	171.9	-68.9	175.8	-172	0	0	107.1
77	R	96.6	Very high	96.3	Very high	97 Å²	97	75.1 Å²	75.1	37%	0.366	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-57.5	147.1	-179.4	-69.8	-158.6	67.8	-169.7	3.4	111.4	Y75 E92 L93 E95 E98	Y75-R77 HydrophobicContact CD1-CG 4.49Å; Y75-R77 HydrophobicContact CE1-CG 4.01Å; R77-E92 IonicContact NH1-OE1 3.08Å; R77-E92 IonicContact NH2-OE1 3.31Å; R77-L93 PolarHBondContact NH2-O 3.26Å; R77-E95 HydrophobicContact CG-CG 4.16Å; R77-E98 VanDerWaalsContact CA-OE1 3.31Å; R77-E98 WeakPolarHBondContact CA-OE1 3.4Å; R77-E98 WeakPolarHBondContact CB-OE1 3.38Å; R77-E98 WeakPolarHBondContact CG-OE1 3.49Å; R77-E98 IonicContact CZ-OE1 3.93Å; R77-E98 IonicContact CZ-OE2 3.1Å; R77-E98 IonicContact NE-OE1 3.85Å; R77-E98 PolarHBondContact NE-OE1 3.17Å; R77-E98 IonicContact NE-OE2 3.23Å; R77-E98 PolarHBondContact NE-OE2 3.09Å; R77-E98 IonicContact NH2-OE1 2.75Å; R77-E98 IonicContact NH2-OE2 2.8Å; R77-E98 PolarHBondContact NH2-OE2 2.83Å
78	V	95.2	Very high	96.2	Very high	12 Å²	12	73.4 Å²	73.4	7%	0.073	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-66.7	153.4	174.1	-62.4	0	0	0	0	110.2	V82 E98 Y152 F153	V78-V82 HydrophobicContact CB-CB 4.15Å; V78-V82 HydrophobicContact CB-CG1 4.23Å; V78-V82 HydrophobicContact CG2-CB 4.09Å; V78-V82 HydrophobicContact CG2-CG1 4.18Å; V78-E98 HydrophobicContact CG2-CG 4.4Å; V78-E98 PolarHBondContact N-OE1 3.35Å; V78-Y152 HydrophobicContact CB-CE1 4.38Å; V78-Y152 HydrophobicContact CG1-CD1 4.04Å; V78-Y152 HydrophobicContact CG1-CE1 3.88Å; V78-F153 HydrophobicContact CG1-CE2 4.41Å; V78-F153 HydrophobicContact CG1-CZ 3.92Å
79	P	95.9	Very high	96.2	Very high	51 Å²	51	80.6 Å²	80.6	33%	0.331	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-53.9	143.5	173.6	-27.4	36.6	0	0	0	111.5	N81 V82 Y152	P79-N81 WeakPolarHBondContact CB-OD1 3.45Å; P79-N81 PolarHBondContact O-N 3.08Å; P79-V82 HydrophobicContact CB-CG2 4.33Å; P79-V82 HydrophobicContact CG-CG2 4.49Å; P79-V82 WeakPolarHBondContact O-CB 3.39Å; P79-V82 PolarHBondContact O-N 2.79Å; P79-Y152 HydrophobicContact CG-CE2 3.89Å
80	R	91.4	Very high	96.2	Very high	233 Å²	233	83.6 Å²	83.6	88%	0.879	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-22	-176.5	-70	-172.8	177.7	-165.7	-1.4	114.6	V82	R80-V82 VanDerWaalsContact C-N 3.31Å
81	N	93.3	Very high	96.1	Very high	110 Å²	110	84.2 Å²	84.2	59%	0.588	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-9.7	176.4	65.6	-65.8	0	0	0	113.5	P79	P79-N81 WeakPolarHBondContact CB-OD1 3.45Å; P79-N81 PolarHBondContact O-N 3.08Å
82	V	96.5	Very high	96.1	Very high	13 Å²	13	88.6 Å²	88.6	8%	0.079	43%	0.428	C	S	.	.	S	Bend	trans	-96	111.6	174.6	179.5	0	0	0	0	108.1	V78 P79 R80 E148 M149 Y152	V78-V82 HydrophobicContact CB-CB 4.15Å; V78-V82 HydrophobicContact CB-CG1 4.23Å; V78-V82 HydrophobicContact CG2-CB 4.09Å; V78-V82 HydrophobicContact CG2-CG1 4.18Å; P79-V82 HydrophobicContact CB-CG2 4.33Å; P79-V82 HydrophobicContact CG-CG2 4.49Å; P79-V82 WeakPolarHBondContact O-CB 3.39Å; P79-V82 PolarHBondContact O-N 2.79Å; R80-V82 VanDerWaalsContact C-N 3.31Å; V82-E148 HydrophobicContact CG1-CG 4.36Å; V82-M149 HydrophobicContact CG1-CB 4.45Å; V82-M149 HydrophobicContact CG1-CG 4.14Å; V82-Y152 HydrophobicContact CG1-CD1 4.49Å; V82-Y152 HydrophobicContact CG1-CG 4.16Å; V82-Y152 HydrophobicContact CG2-CD2 3.77Å; V82-Y152 HydrophobicContact CG2-CE2 4.5Å; V82-Y152 HydrophobicContact CG2-CG 3.85Å
83	R	95.9	Very high	96.1	Very high	123 Å²	123	87.9 Å²	87.9	46%	0.464	42%	0.422	S	S	.	.			trans	-110.5	151.6	-169.5	-56.6	175.3	178.7	175	0.1	112.5	Y85 P90 E148	R83-Y85 HydrophobicContact CB-CD2 4.35Å; R83-Y85 HydrophobicContact CB-CE2 3.79Å; R83-P90 HydrophobicContact CB-CB 4.42Å; R83-E148 WeakPolarHBondContact CA-OE2 3.39Å; R83-E148 VanDerWaalsContact CB-OE2 3.31Å; R83-E148 WeakPolarHBondContact CB-OE2 3.46Å; R83-E148 PolarHBondContact N-OE2 3.41Å
84	F	97.9	Very high	96.3	Very high	8 Å²	8	84.4 Å²	84.4	4%	0.035	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	140.3	161.1	170.8	-104.9	0	0	0	108.6	P90 L91 L93 I138 C144 N145 F146 M149	F84-P90 WeakPolarHBondContact O-CA 3.18Å; F84-L91 HydrophobicContact CD1-CB 4.17Å; F84-L91 HydrophobicContact CD1-CD2 4.46Å; F84-L91 HydrophobicContact CE1-CD2 4.25Å; F84-L91 PolarHBondContact O-N 2.99Å; F84-L93 HydrophobicContact CB-CD1 3.84Å; F84-L93 HydrophobicContact CB-CG 4.21Å; F84-L93 HydrophobicContact CD1-CD1 3.77Å; F84-L93 HydrophobicContact CD1-CD2 3.75Å; F84-L93 HydrophobicContact CD1-CG 3.87Å; F84-L93 HydrophobicContact CD2-CD1 4.38Å; F84-L93 HydrophobicContact CE1-CD1 4.44Å; F84-L93 HydrophobicContact CE1-CD2 4.08Å; F84-L93 HydrophobicContact CG-CD1 3.73Å; F84-L93 HydrophobicContact CG-CG 4.22Å; F84-I138 HydrophobicContact CE1-CD1 3.95Å; F84-I138 HydrophobicContact CE1-CG1 4.43Å; F84-I138 HydrophobicContact CZ-CD1 4.5Å; F84-C144 HydrophobicContact CE2-CB 3.9Å; F84-C144 HydrophobicContact CZ-CB 3.85Å; F84-N145 WeakPolarHBondContact CD2-O 3.32Å; F84-F146 AromaticContact CD2-CD1 3.97Å; F84-F146 HydrophobicContact CD2-CD1 3.97Å; F84-F146 AromaticContact CD2-CE1 3.99Å; F84-F146 HydrophobicContact CD2-CE1 3.99Å; F84-F146 AromaticContact CE2-CD1 3.93Å; F84-F146 HydrophobicContact CE2-CD1 3.93Å; F84-F146 AromaticContact CE2-CE1 3.57Å; F84-F146 HydrophobicContact CE2-CE1 3.57Å; F84-F146 HydrophobicContact CE2-CE2 4.45Å; F84-F146 AromaticContact CE2-CZ 3.86Å; F84-F146 HydrophobicContact CE2-CZ 3.86Å; F84-M149 HydrophobicContact CB-SD 4.19Å
85	Y	98.3	Very high	96.4	Very high	59 Å²	59	79.1 Å²	79.1	23%	0.231	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	138.1	178.2	-69	-101.5	0	0	0	110.6	R83 K89 P90 N145 E148	R83-Y85 HydrophobicContact CB-CD2 4.35Å; R83-Y85 HydrophobicContact CB-CE2 3.79Å; Y85-K89 CarbonylContact C-O 3.58Å; Y85-K89 VanDerWaalsContact CA-O 3.31Å; Y85-K89 WeakPolarHBondContact CA-O 3.29Å; Y85-P90 HydrophobicContact CD1-CB 4.2Å; Y85-P90 HydrophobicContact CE1-CB 3.95Å; Y85-P90 HydrophobicContact CE1-CG 4.39Å; Y85-N145 PolarHBondContact N-O 3Å; Y85-N145 PolarHBondContact O-N 2.88Å; Y85-E148 WeakPolarHBondContact CE2-OE2 3.45Å
86	Y	98.3	Very high	96.4	Very high	28 Å²	28	84.2 Å²	84.2	11%	0.11	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	123.6	169.6	-176.7	-98.4	0	0	0	109.4	G88 K89 I137 I138 K139 D140 K143	Y86-G88 PolarHBondContact O-N 3.09Å; Y86-K89 PolarHBondContact N-O 2.95Å; Y86-K89 PolarHBondContact O-N 3.38Å; Y86-I137 HydrophobicContact CD1-CG2 3.87Å; Y86-I137 HydrophobicContact CE1-CG2 4.18Å; Y86-I137 WeakPolarHBondContact CE1-O 3.29Å; Y86-I137 PolarHBondContact OH-O 3.19Å; Y86-I137 VanDerWaalsContact OH-O 3.11Å; Y86-I138 HydrophobicContact CD2-CB 4.26Å; Y86-I138 HydrophobicContact CD2-CG1 4.19Å; Y86-I138 HydrophobicContact CD2-CG2 3.93Å; Y86-I138 HydrophobicContact CE2-CB 4.2Å; Y86-I138 HydrophobicContact CE2-CG2 3.86Å; Y86-I138 HydrophobicContact CG-CG1 4.38Å; Y86-K139 PolarHBondContact OH-N 3.11Å; Y86-D140 WeakPolarHBondContact CE2-O 3.35Å; Y86-D140 PolarHBondContact OH-N 2.69Å; Y86-K143 WeakPolarHBondContact CA-O 3.42Å; Y86-K143 HydrophobicContact CD2-CB 3.93Å; Y86-K143 HydrophobicContact CE1-CD 4.43Å; Y86-K143 HydrophobicContact CE2-CB 3.54Å; Y86-K143 HydrophobicContact CE2-CD 4.47Å
87	D	97.2	Very high	96.5	Very high	92 Å²	92	76.3 Å²	76.3	49%	0.492	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	41.5	-178.9	-148.2	23.6	0	0	0	112.5	K89 K143	D87-K89 PolarHBondContact O-N 3.49Å; D87-K143 HydrophobicContact CB-CB 4.42Å; D87-K143 HydrophobicContact CB-CD 4.07Å; D87-K143 VanDerWaalsContact CG-NZ 3.28Å; D87-K143 PolarHBondContact N-O 3.25Å; D87-K143 WeakPolarHBondContact OD1-CD 3.32Å; D87-K143 WeakPolarHBondContact OD1-CE 3.33Å; D87-K143 IonicContact OD1-NZ 3.35Å; D87-K143 PolarHBondContact OD1-NZ 3.09Å; D87-K143 IonicContact OD2-NZ 2.66Å; D87-K143 PolarHBondContact OD2-NZ 2.98Å
88	G	96.7	Very high	96.5	Very high	67 Å²	67	72.4 Å²	72.4	69%	0.691	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	-5.1	-178.1	0	0	0	0	0	115.5	Y86	Y86-G88 PolarHBondContact O-N 3.09Å
89	K	97.4	Very high	96.7	Very high	157 Å²	157	73.5 Å²	73.5	68%	0.683	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103	137.4	-179.6	-64.3	179.8	-177.1	176.6	0	111.4	Y85 Y86 D87 L91	Y85-K89 CarbonylContact C-O 3.58Å; Y85-K89 VanDerWaalsContact CA-O 3.31Å; Y85-K89 WeakPolarHBondContact CA-O 3.29Å; Y86-K89 PolarHBondContact N-O 2.95Å; Y86-K89 PolarHBondContact O-N 3.38Å; D87-K89 PolarHBondContact O-N 3.49Å; K89-L91 PolarHBondContact O-N 3.15Å
90	P	96.9	Very high	96.8	Very high	70 Å²	70	71.2 Å²	71.2	46%	0.455	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	134.7	175.3	28.4	-33.7	0	0	0	110.2	R83 F84 Y85	R83-P90 HydrophobicContact CB-CB 4.42Å; F84-P90 WeakPolarHBondContact O-CA 3.18Å; Y85-P90 HydrophobicContact CD1-CB 4.2Å; Y85-P90 HydrophobicContact CE1-CB 3.95Å; Y85-P90 HydrophobicContact CE1-CG 4.39Å
91	L	96.3	Very high	97.1	Very high	37 Å²	37	60.1 Å²	60.1	19%	0.194	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	121.2	178.7	-179.8	66.1	0	0	0	109.1	F84 K89 L93 I137 I138	F84-L91 HydrophobicContact CD1-CB 4.17Å; F84-L91 HydrophobicContact CD1-CD2 4.46Å; F84-L91 HydrophobicContact CE1-CD2 4.25Å; F84-L91 PolarHBondContact O-N 2.99Å; K89-L91 PolarHBondContact O-N 3.15Å; L91-L93 HydrophobicContact CD2-CD2 4.19Å; L91-L93 HydrophobicContact CG-CD2 4.35Å; L91-I137 HydrophobicContact CD1-CD1 4.13Å; L91-I137 HydrophobicContact CD2-CG2 4.01Å; L91-I138 HydrophobicContact CD2-CD1 3.78Å; L91-I138 HydrophobicContact CD2-CG1 3.71Å
92	E	95.6	Very high	97.4	Very high	144 Å²	144	54.9 Å²	54.9	67%	0.673	28%	0.279	S	S	*	.	P	Polyproline II helix	trans	-77.1	123.9	173	-172.7	174.1	-178.2	0	0	109.6	R77	R77-E92 IonicContact NH1-OE1 3.08Å; R77-E92 IonicContact NH2-OE1 3.31Å
93	L	97.3	Very high	97.4	Very high	6 Å²	6	55.3 Å²	55.3	3%	0.031	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-92.6	151.5	179.3	-59.5	176.5	0	0	0	110.9	R77 F84 L91 T97 E98 A101 E134 I138	R77-L93 PolarHBondContact NH2-O 3.26Å; F84-L93 HydrophobicContact CB-CD1 3.84Å; F84-L93 HydrophobicContact CB-CG 4.21Å; F84-L93 HydrophobicContact CD1-CD1 3.77Å; F84-L93 HydrophobicContact CD1-CD2 3.75Å; F84-L93 HydrophobicContact CD1-CG 3.87Å; F84-L93 HydrophobicContact CD2-CD1 4.38Å; F84-L93 HydrophobicContact CE1-CD1 4.44Å; F84-L93 HydrophobicContact CE1-CD2 4.08Å; F84-L93 HydrophobicContact CG-CD1 3.73Å; F84-L93 HydrophobicContact CG-CG 4.22Å; L91-L93 HydrophobicContact CD2-CD2 4.19Å; L91-L93 HydrophobicContact CG-CD2 4.35Å; L93-T97 HydrophobicContact CB-CG2 4.27Å; L93-T97 HydrophobicContact CD1-CG2 4.14Å; L93-T97 HydrophobicContact CD2-CG2 3.88Å; L93-T97 HydrophobicContact CG-CG2 4.32Å; L93-E98 HydrophobicContact CB-CB 4.05Å; L93-A101 HydrophobicContact CD1-CB 3.85Å; L93-E134 VanDerWaalsContact CA-OE1 3.26Å; L93-E134 WeakPolarHBondContact CA-OE1 3.49Å; L93-I138 HydrophobicContact CD2-CD1 3.89Å
94	S	97.3	Very high	97.5	Very high	36 Å²	36	50 Å²	50	25%	0.252	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-62	156.9	164.6	58.8	0	0	0	0	110.7	E96 T97 E98 E134	S94-E96 VanDerWaalsContact C-N 3.34Å; S94-E96 PolarHBondContact O-N 3.08Å; S94-T97 PolarHBondContact O-N 3.13Å; S94-T97 VanDerWaalsContact O-N 3.17Å; S94-T97 VanDerWaalsContact OG-CB 3.31Å; S94-T97 WeakPolarHBondContact OG-CB 3.41Å; S94-T97 PolarHBondContact OG-OG1 3.14Å; S94-E98 VanDerWaalsContact O-CB 3.32Å; S94-E98 WeakPolarHBondContact O-CB 3.24Å; S94-E98 PolarHBondContact O-N 3.18Å; S94-E134 PolarHBondContact N-OE1 3.28Å; S94-E134 PolarHBondContact OG-OE1 2.91Å; S94-E134 PolarHBondContact OG-OE2 3.44Å
95	E	97.1	Very high	97.6	Very high	115 Å²	115	49.6 Å²	49.6	54%	0.537	26%	0.258	S	S	.	.	H	α-helix	trans	-56.5	-44.7	-175.6	-175.4	173.7	105.9	0	0	112.8	Y75 R77 E98 E99	Y75-E95 HydrophobicContact CD1-CG 3.77Å; Y75-E95 HydrophobicContact CE1-CG 4.26Å; R77-E95 HydrophobicContact CG-CG 4.16Å; E95-E98 PolarHBondContact O-N 3.27Å; E95-E99 PolarHBondContact O-N 3.14Å
96	E	96.6	Very high	97.5	Very high	144 Å²	144	51.6 Å²	51.6	67%	0.673	27%	0.268	S	S	*	.	H	α-helix	trans	-65.8	-40.3	178.8	-63.9	-172.6	170	0	0	112.3	S94 A100	S94-E96 VanDerWaalsContact C-N 3.34Å; S94-E96 PolarHBondContact O-N 3.08Å; E96-A100 PolarHBondContact O-N 3.34Å
97	T	97.9	Very high	97.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-70.9	-39.8	177.6	-56.9	0	0	0	0	111.1	L93 S94 A100 A101 F126 S129 M130 E134	L93-T97 HydrophobicContact CB-CG2 4.27Å; L93-T97 HydrophobicContact CD1-CG2 4.14Å; L93-T97 HydrophobicContact CD2-CG2 3.88Å; L93-T97 HydrophobicContact CG-CG2 4.32Å; S94-T97 PolarHBondContact O-N 3.13Å; S94-T97 VanDerWaalsContact O-N 3.17Å; S94-T97 VanDerWaalsContact OG-CB 3.31Å; S94-T97 WeakPolarHBondContact OG-CB 3.41Å; S94-T97 PolarHBondContact OG-OG1 3.14Å; T97-A100 PolarHBondContact O-N 3.37Å; T97-A101 WeakPolarHBondContact O-CB 3.49Å; T97-A101 PolarHBondContact O-N 3.33Å; T97-F126 HydrophobicContact CG2-CD2 4.38Å; T97-F126 HydrophobicContact CG2-CE2 3.5Å; T97-F126 VanDerWaalsContact CG2-CE2 3.5Å; T97-F126 HydrophobicContact CG2-CZ 3.82Å; T97-F126 WeakPolarHBondContact O-CE2 3.39Å; T97-S129 VanDerWaalsContact OG1-C 3.3Å; T97-S129 PolarHBondContact OG1-O 3.22Å; T97-M130 HydrophobicContact CG2-CG 3.81Å; T97-M130 VanDerWaalsContact OG1-CA 3.26Å; T97-M130 WeakPolarHBondContact OG1-CA 3.5Å; T97-M130 PolarHBondContact OG1-N 3.48Å; T97-E134 PolarHBondContact OG1-OE2 3.08Å
98	E	98.4	Very high	97.3	Very high	16 Å²	16	48.2 Å²	48.2	8%	0.075	25%	0.252	C	S	.	.	H	α-helix	trans	-62.7	-44.7	176.2	-165.1	-179.9	77	0	0	111.1	Y75 R77 V78 L93 S94 E95 A100 A101 T102 M149	Y75-E98 HydrophobicContact CE1-CB 4.2Å; Y75-E98 HydrophobicContact CE1-CG 4.4Å; Y75-E98 WeakPolarHBondContact OH-CG 3.11Å; Y75-E98 PolarHBondContact OH-OE1 3.44Å; R77-E98 VanDerWaalsContact CA-OE1 3.31Å; R77-E98 WeakPolarHBondContact CA-OE1 3.4Å; R77-E98 WeakPolarHBondContact CB-OE1 3.38Å; R77-E98 WeakPolarHBondContact CG-OE1 3.49Å; R77-E98 IonicContact CZ-OE1 3.93Å; R77-E98 IonicContact CZ-OE2 3.1Å; R77-E98 IonicContact NE-OE1 3.85Å; R77-E98 PolarHBondContact NE-OE1 3.17Å; R77-E98 IonicContact NE-OE2 3.23Å; R77-E98 PolarHBondContact NE-OE2 3.09Å; R77-E98 IonicContact NH2-OE1 2.75Å; R77-E98 IonicContact NH2-OE2 2.8Å; R77-E98 PolarHBondContact NH2-OE2 2.83Å; V78-E98 HydrophobicContact CG2-CG 4.4Å; V78-E98 PolarHBondContact N-OE1 3.35Å; L93-E98 HydrophobicContact CB-CB 4.05Å; S94-E98 VanDerWaalsContact O-CB 3.32Å; S94-E98 WeakPolarHBondContact O-CB 3.24Å; S94-E98 PolarHBondContact O-N 3.18Å; E95-E98 PolarHBondContact O-N 3.27Å; E98-A100 VanDerWaalsContact C-N 3.32Å; E98-A100 PolarHBondContact O-N 3.49Å; E98-A101 WeakPolarHBondContact O-CB 3.38Å; E98-A101 PolarHBondContact O-N 3.46Å; E98-T102 WeakPolarHBondContact O-CG2 3.23Å; E98-T102 PolarHBondContact O-N 2.85Å; E98-M149 HydrophobicContact CG-CE 4.28Å
99	E	98.2	Very high	97.1	Very high	34 Å²	34	50.6 Å²	50.6	16%	0.159	25%	0.248	C	C	.	.	H	α-helix	trans	-54.5	-50.2	175.7	-170.5	178	-155.2	0	0	110.5	Y75 E95 A101 T102 F103 R220	Y75-E99 HydrophobicContact CD1-CB 3.62Å; Y75-E99 HydrophobicContact CD1-CG 4.12Å; Y75-E99 HydrophobicContact CD2-CB 4.01Å; Y75-E99 HydrophobicContact CD2-CG 3.68Å; Y75-E99 HydrophobicContact CE1-CB 3.86Å; Y75-E99 HydrophobicContact CE2-CB 4.25Å; Y75-E99 HydrophobicContact CE2-CG 4.23Å; Y75-E99 HydrophobicContact CG-CB 3.71Å; Y75-E99 HydrophobicContact CG-CG 3.64Å; E95-E99 PolarHBondContact O-N 3.14Å; E99-A101 PolarHBondContact O-N 3.11Å; E99-T102 WeakPolarHBondContact O-CB 3.45Å; E99-T102 PolarHBondContact O-N 3.22Å; E99-T102 VanDerWaalsContact O-N 3.12Å; E99-T102 PolarHBondContact O-OG1 2.96Å; E99-F103 HydrophobicContact CG-CE1 3.87Å; E99-F103 HydrophobicContact CG-CE2 4.49Å; E99-F103 HydrophobicContact CG-CZ 3.61Å; E99-F103 WeakPolarHBondContact O-CD1 3.04Å; E99-F103 PolarHBondContact O-N 3.13Å; E99-R220 IonicContact OE1-CZ 3.2Å; E99-R220 IonicContact OE1-NE 2.78Å; E99-R220 IonicContact OE1-NH2 2.78Å; E99-R220 PolarHBondContact OE1-NH2 3.12Å
100	A	98.2	Very high	97	Very high	4 Å²	4	46.3 Å²	46.3	3%	0.033	23%	0.231	C	C	.	.	H	α-helix	trans	-60.9	-43.3	178.2	0	0	0	0	0	112.6	E96 T97 E98 T102 F103 F126 I217	E96-A100 PolarHBondContact O-N 3.34Å; T97-A100 PolarHBondContact O-N 3.37Å; E98-A100 VanDerWaalsContact C-N 3.32Å; E98-A100 PolarHBondContact O-N 3.49Å; A100-T102 VanDerWaalsContact C-N 3.27Å; A100-T102 PolarHBondContact O-N 3.48Å; A100-F103 WeakPolarHBondContact O-CB 3.47Å; A100-F103 PolarHBondContact O-N 3.36Å; A100-F103 VanDerWaalsContact O-N 3.14Å; A100-F126 HydrophobicContact CB-CD2 3.8Å; A100-F126 HydrophobicContact CB-CE2 4.23Å; A100-I217 HydrophobicContact CB-CD1 3.94Å
101	A	98.3	Very high	96.8	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.2	-36.7	174.7	0	0	0	0	0	111.6	L93 T97 E98 E99 F103 Y104 A105 F126 F146 M149	L93-A101 HydrophobicContact CD1-CB 3.85Å; T97-A101 WeakPolarHBondContact O-CB 3.49Å; T97-A101 PolarHBondContact O-N 3.33Å; E98-A101 WeakPolarHBondContact O-CB 3.38Å; E98-A101 PolarHBondContact O-N 3.46Å; E99-A101 PolarHBondContact O-N 3.11Å; A101-F103 PolarHBondContact O-N 3.04Å; A101-Y104 PolarHBondContact O-N 3.21Å; A101-A105 WeakPolarHBondContact O-CB 3.4Å; A101-A105 PolarHBondContact O-N 2.68Å; A101-F126 HydrophobicContact CB-CE2 3.85Å; A101-F126 HydrophobicContact CB-CZ 4.03Å; A101-F146 HydrophobicContact CB-CD1 4.31Å; A101-F146 HydrophobicContact CB-CE1 3.98Å; A101-M149 HydrophobicContact CB-CE 4.05Å; A101-M149 HydrophobicContact CB-SD 4.18Å
102	T	98.1	Very high	96.8	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.3	-29.8	177.5	81.6	0	0	0	0	113	Y75 E98 E99 A100 K106 M149 F153	Y75-T102 HydrophobicContact CE2-CG2 3.81Å; Y75-T102 VanDerWaalsContact OH-CG2 3.25Å; Y75-T102 WeakPolarHBondContact OH-CG2 3.18Å; E98-T102 WeakPolarHBondContact O-CG2 3.23Å; E98-T102 PolarHBondContact O-N 2.85Å; E99-T102 WeakPolarHBondContact O-CB 3.45Å; E99-T102 PolarHBondContact O-N 3.22Å; E99-T102 VanDerWaalsContact O-N 3.12Å; E99-T102 PolarHBondContact O-OG1 2.96Å; A100-T102 VanDerWaalsContact C-N 3.27Å; A100-T102 PolarHBondContact O-N 3.48Å; T102-K106 WeakPolarHBondContact O-CB 3.45Å; T102-K106 WeakPolarHBondContact O-CD 3.38Å; T102-K106 VanDerWaalsContact O-CG 3.25Å; T102-K106 WeakPolarHBondContact O-CG 3.48Å; T102-K106 PolarHBondContact O-N 2.78Å; T102-K106 PolarHBondContact OG1-NZ 2.82Å; T102-M149 HydrophobicContact CG2-CE 3.77Å; T102-F153 HydrophobicContact CG2-CE2 3.93Å; T102-F153 HydrophobicContact CG2-CZ 3.77Å
103	F	98.3	Very high	96.7	Very high	22 Å²	22	42.1 Å²	42.1	10%	0.096	21%	0.207	C	C	.	.	H	α-helix	trans	-66.2	-43.1	-178.7	-53.4	-32.9	0	0	0	111.2	E99 A100 A101 P202 L204 I217	E99-F103 HydrophobicContact CG-CE1 3.87Å; E99-F103 HydrophobicContact CG-CE2 4.49Å; E99-F103 HydrophobicContact CG-CZ 3.61Å; E99-F103 WeakPolarHBondContact O-CD1 3.04Å; E99-F103 PolarHBondContact O-N 3.13Å; A100-F103 WeakPolarHBondContact O-CB 3.47Å; A100-F103 PolarHBondContact O-N 3.36Å; A100-F103 VanDerWaalsContact O-N 3.14Å; A101-F103 PolarHBondContact O-N 3.04Å; F103-P202 HydrophobicContact CE1-CB 4.4Å; F103-P202 HydrophobicContact CE1-CG 4.34Å; F103-P202 HydrophobicContact CE2-CB 4.28Å; F103-P202 HydrophobicContact CZ-CB 3.67Å; F103-P202 HydrophobicContact CZ-CG 3.9Å; F103-L204 HydrophobicContact CB-CD1 4.37Å; F103-L204 HydrophobicContact CB-CD2 3.83Å; F103-L204 HydrophobicContact CB-CG 3.75Å; F103-L204 HydrophobicContact CD2-CD2 4.33Å; F103-I217 HydrophobicContact CD2-CG2 4.4Å; F103-I217 HydrophobicContact CE2-CG2 4.11Å
104	Y	98.3	Very high	96.6	Very high	11 Å²	11	47.4 Å²	47.4	4%	0.043	24%	0.24	C	C	.	.	H	α-helix	trans	-72.3	-44.3	175.1	-166.7	-86.1	0	0	0	111.4	A101 K106 M107 L108 C113 F118 N119 F122 F141 F146 L204	A101-Y104 PolarHBondContact O-N 3.21Å; Y104-K106 VanDerWaalsContact C-N 3.31Å; Y104-K106 PolarHBondContact O-N 3.24Å; Y104-M107 CarbonylContact O-C 3.5Å; Y104-M107 WeakPolarHBondContact O-CA 3.16Å; Y104-M107 PolarHBondContact O-N 3.19Å; Y104-L108 HydrophobicContact CD1-CD1 4.34Å; Y104-L108 HydrophobicContact CE1-CD1 3.76Å; Y104-L108 PolarHBondContact O-N 3.27Å; Y104-L108 VanDerWaalsContact O-N 3.16Å; Y104-C113 VanDerWaalsContact CZ-SG 3.56Å; Y104-C113 WeakPolarHBondContact OH-CB 3.3Å; Y104-F118 HydrophobicContact CD2-CE1 4.14Å; Y104-F118 HydrophobicContact CE2-CD1 4.2Å; Y104-F118 AromaticContact CE2-CE1 3.98Å; Y104-F118 HydrophobicContact CE2-CE1 3.98Å; Y104-N119 WeakPolarHBondContact CE2-OD1 3.48Å; Y104-N119 PolarHBondContact OH-OD1 3.05Å; Y104-F122 HydrophobicContact CD1-CE1 4.45Å; Y104-F122 HydrophobicContact CD2-CB 4.26Å; Y104-F122 AromaticContact CD2-CD1 3.31Å; Y104-F122 HydrophobicContact CD2-CD1 3.31Å; Y104-F122 HydrophobicContact CD2-CD2 4.16Å; Y104-F122 AromaticContact CD2-CE1 3.63Å; Y104-F122 HydrophobicContact CD2-CE1 3.63Å; Y104-F122 HydrophobicContact CD2-CE2 4.42Å; Y104-F122 AromaticContact CD2-CG 3.61Å; Y104-F122 HydrophobicContact CD2-CG 3.61Å; Y104-F122 HydrophobicContact CD2-CZ 4.18Å; Y104-F122 AromaticContact CE2-CD1 3.92Å; Y104-F122 HydrophobicContact CE2-CD1 3.92Å; Y104-F122 HydrophobicContact CE2-CE1 4.47Å; Y104-F122 HydrophobicContact CE2-CG 4.34Å; Y104-F122 AromaticContact CG-CD1 3.85Å; Y104-F122 HydrophobicContact CG-CD1 3.85Å; Y104-F122 AromaticContact CG-CE1 3.64Å; Y104-F122 HydrophobicContact CG-CE1 3.64Å; Y104-F122 HydrophobicContact CG-CE2 4.46Å; Y104-F122 HydrophobicContact CG-CG 4.36Å; Y104-F122 AromaticContact CG-CZ 3.97Å; Y104-F122 HydrophobicContact CG-CZ 3.97Å; Y104-F141 HydrophobicContact CE1-CE2 4.48Å; Y104-F141 AromaticContact CE1-CZ 3.89Å; Y104-F141 HydrophobicContact CE1-CZ 3.89Å; Y104-F141 HydrophobicContact CE2-CE2 4.39Å; Y104-F141 AromaticContact CE2-CZ 3.81Å; Y104-F141 HydrophobicContact CE2-CZ 3.81Å; Y104-F141 AromaticContact CZ-CZ 3.47Å; Y104-F141 VanDerWaalsContact CZ-CZ 3.47Å; Y104-F141 WeakPolarHBondContact OH-CZ 3.24Å; Y104-F146 HydrophobicContact CD1-CD1 4.48Å; Y104-F146 AromaticContact CD1-CD2 3.6Å; Y104-F146 HydrophobicContact CD1-CD2 3.6Å; Y104-F146 AromaticContact CD1-CE2 3.75Å; Y104-F146 HydrophobicContact CD1-CE2 3.75Å; Y104-F146 AromaticContact CD1-CG 4Å; Y104-F146 HydrophobicContact CD1-CG 4Å; Y104-F146 HydrophobicContact CD1-CZ 4.26Å; Y104-F146 AromaticContact CE1-CD2 3.93Å; Y104-F146 HydrophobicContact CE1-CD2 3.93Å; Y104-F146 HydrophobicContact CE1-CE2 4.09Å; Y104-L204 HydrophobicContact CD2-CD1 4.17Å
105	A	98	Very high	96.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-54	-45.3	178.3	0	0	0	0	0	112.2	A101 M107 L108 F146 M149 F150 F153	A101-A105 WeakPolarHBondContact O-CB 3.4Å; A101-A105 PolarHBondContact O-N 2.68Å; A105-M107 PolarHBondContact O-N 2.88Å; A105-L108 PolarHBondContact O-N 3.49Å; A105-F146 HydrophobicContact CB-CB 4.05Å; A105-M149 HydrophobicContact CB-CB 3.58Å; A105-M149 HydrophobicContact CB-SD 4.46Å; A105-F150 WeakPolarHBondContact O-CB 3.44Å; A105-F150 WeakPolarHBondContact O-CD2 3.4Å; A105-F153 HydrophobicContact CB-CD2 4.47Å
106	K	97.3	Very high	96.5	Very high	101 Å²	101	49.5 Å²	49.5	44%	0.439	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-13.3	176.9	-73.6	164.9	-175.5	153.2	0	114.3	T102 Y104 F153	T102-K106 WeakPolarHBondContact O-CB 3.45Å; T102-K106 WeakPolarHBondContact O-CD 3.38Å; T102-K106 VanDerWaalsContact O-CG 3.25Å; T102-K106 WeakPolarHBondContact O-CG 3.48Å; T102-K106 PolarHBondContact O-N 2.78Å; T102-K106 PolarHBondContact OG1-NZ 2.82Å; Y104-K106 VanDerWaalsContact C-N 3.31Å; Y104-K106 PolarHBondContact O-N 3.24Å; K106-F153 HydrophobicContact CD-CD1 4.48Å; K106-F153 HydrophobicContact CD-CD2 4.41Å; K106-F153 HydrophobicContact CD-CG 4.39Å; K106-F153 VanDerWaalsContact CE-CD1 3.45Å; K106-F153 HydrophobicContact CG-CB 4.01Å; K106-F153 HydrophobicContact CG-CD1 4.23Å; K106-F153 HydrophobicContact CG-CD2 3.61Å; K106-F153 HydrophobicContact CG-CE2 4.17Å; K106-F153 HydrophobicContact CG-CG 3.67Å
107	M	95.8	Very high	96.6	Very high	11 Å²	11	45.8 Å²	45.8	5%	0.054	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.6	1.5	-176.8	-68.8	-170.4	53.9	0	0	113.7	Y104 A105 N109 H110 Y112 C113 F118 L204 R206	Y104-M107 CarbonylContact O-C 3.5Å; Y104-M107 WeakPolarHBondContact O-CA 3.16Å; Y104-M107 PolarHBondContact O-N 3.19Å; A105-M107 PolarHBondContact O-N 2.88Å; M107-N109 PolarHBondContact O-N 2.85Å; M107-H110 HydrophobicContact CB-CB 4.45Å; M107-H110 WeakPolarHBondContact O-CB 2.98Å; M107-H110 PolarHBondContact O-N 3.37Å; M107-Y112 HydrophobicContact CE-CD2 3.99Å; M107-Y112 HydrophobicContact CE-CG 4.3Å; M107-C113 PolarHBondContact O-SG 3.22Å; M107-F118 HydrophobicContact CE-CE2 4.19Å; M107-F118 HydrophobicContact CE-CZ 3.69Å; M107-F118 HydrophobicContact SD-CZ 4.25Å; M107-L204 HydrophobicContact SD-CB 4.35Å; M107-L204 HydrophobicContact SD-CD1 4.3Å; M107-R206 HydrophobicContact CE-CG 4.13Å; M107-R206 VanDerWaalsContact CE-NE 3.31Å; M107-R206 PolarHBondContact SD-NE 3.32Å; M107-R206 VanDerWaalsContact SD-NE 3.44Å; M107-R206 PolarHBondContact SD-NH2 3.14Å
108	L	95.1	Very high	96.6	Very high	38 Å²	38	45.8 Å²	45.8	20%	0.199	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.6	-39.8	-167.2	-169.3	62.3	0	0	0	114.9	Y104 A105 F146 Q147 F150	Y104-L108 HydrophobicContact CD1-CD1 4.34Å; Y104-L108 HydrophobicContact CE1-CD1 3.76Å; Y104-L108 PolarHBondContact O-N 3.27Å; Y104-L108 VanDerWaalsContact O-N 3.16Å; A105-L108 PolarHBondContact O-N 3.49Å; L108-F146 HydrophobicContact CD1-CB 4.42Å; L108-Q147 HydrophobicContact CD2-CB 4.46Å; L108-F150 HydrophobicContact CB-CB 4.16Å; L108-F150 HydrophobicContact CB-CD2 3.88Å; L108-F150 HydrophobicContact CB-CE2 4.45Å; L108-F150 HydrophobicContact CB-CG 4.01Å; L108-F150 HydrophobicContact CD2-CB 3.82Å; L108-F150 HydrophobicContact CD2-CD1 4.43Å; L108-F150 HydrophobicContact CD2-CG 4.11Å
109	N	93.2	Very high	96.6	Very high	116 Å²	116	46.2 Å²	46.2	62%	0.62	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.8	14.6	-178.9	-65.2	0.3	0	0	0	114.2	M107 F150	M107-N109 PolarHBondContact O-N 2.85Å; N109-F150 HydrophobicContact CB-CE2 4.42Å; N109-F150 HydrophobicContact CB-CZ 4.08Å; N109-F150 WeakPolarHBondContact ND2-CE1 3.33Å; N109-F150 VanDerWaalsContact ND2-CZ 3.29Å; N109-F150 WeakPolarHBondContact ND2-CZ 3.39Å
110	H	94.6	Very high	96.6	Very high	67 Å²	67	48.7 Å²	48.7	31%	0.31	25%	0.249	S	C	.	.	S	Bend	trans	-89.4	144.6	177.6	-166	-50.4	0	0	0	110.3	M107 Y112 C113	M107-H110 HydrophobicContact CB-CB 4.45Å; M107-H110 WeakPolarHBondContact O-CB 2.98Å; M107-H110 PolarHBondContact O-N 3.37Å; H110-Y112 AromaticContact CE1-CD2 3.2Å; H110-Y112 WeakPolarHBondContact CE1-CD2 3.48Å; H110-Y112 AromaticContact CE1-CE2 3.49Å; H110-Y112 VanDerWaalsContact CE1-CE2 3.49Å; H110-Y112 WeakPolarHBondContact CE1-CE2 3.31Å; H110-Y112 AromaticContact ND1-CD2 3.36Å; H110-Y112 WeakPolarHBondContact ND1-CD2 3.42Å; H110-Y112 PolarHBondContact ND1-N 3.45Å; H110-Y112 AromaticContact NE2-CD2 3.84Å; H110-Y112 PolarHBondContact O-N 2.93Å; H110-C113 WeakPolarHBondContact O-CB 3.45Å; H110-C113 PolarHBondContact O-N 3.09Å
111	D	92.8	Very high	96.6	Very high	106 Å²	106	50 Å²	50	57%	0.567	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-14.1	174.6	-48.8	-11.6	0	0	0	115.4	T114	D111-T114 PolarHBondContact O-OG1 3.37Å
112	Y	95.6	Very high	96.6	Very high	44 Å²	44	50 Å²	50	17%	0.173	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-35.1	173	-79.3	-71	0	0	0	111.9	M107 H110 T114 K115 F118 R206 G207 M214	M107-Y112 HydrophobicContact CE-CD2 3.99Å; M107-Y112 HydrophobicContact CE-CG 4.3Å; H110-Y112 AromaticContact CE1-CD2 3.2Å; H110-Y112 WeakPolarHBondContact CE1-CD2 3.48Å; H110-Y112 AromaticContact CE1-CE2 3.49Å; H110-Y112 VanDerWaalsContact CE1-CE2 3.49Å; H110-Y112 WeakPolarHBondContact CE1-CE2 3.31Å; H110-Y112 AromaticContact ND1-CD2 3.36Å; H110-Y112 WeakPolarHBondContact ND1-CD2 3.42Å; H110-Y112 PolarHBondContact ND1-N 3.45Å; H110-Y112 AromaticContact NE2-CD2 3.84Å; H110-Y112 PolarHBondContact O-N 2.93Å; Y112-T114 PolarHBondContact O-N 2.92Å; Y112-K115 HydrophobicContact CD1-CD 4.46Å; Y112-K115 WeakPolarHBondContact O-CB 3.49Å; Y112-K115 PolarHBondContact O-N 2.71Å; Y112-F118 AromaticContact CD1-CD2 3.89Å; Y112-F118 HydrophobicContact CD1-CD2 3.89Å; Y112-F118 HydrophobicContact CD1-CE2 4.18Å; Y112-F118 HydrophobicContact CG-CD2 4.1Å; Y112-F118 HydrophobicContact CG-CE2 4.05Å; Y112-F118 VanDerWaalsContact O-CB 3.23Å; Y112-F118 WeakPolarHBondContact O-CB 3.45Å; Y112-F118 WeakPolarHBondContact O-CG 3.32Å; Y112-R206 HydrophobicContact CD2-CB 4.45Å; Y112-R206 HydrophobicContact CD2-CG 4.27Å; Y112-R206 HydrophobicContact CE1-CB 4.18Å; Y112-R206 WeakPolarHBondContact CE1-O 3.41Å; Y112-R206 HydrophobicContact CE2-CB 3.94Å; Y112-R206 HydrophobicContact CE2-CG 4.14Å; Y112-G207 PolarHBondContact OH-O 3.22Å; Y112-M214 HydrophobicContact CD1-SD 4.09Å; Y112-M214 HydrophobicContact CE1-SD 4.37Å
113	C	95.3	Very high	96.6	Very high	14 Å²	14	51.3 Å²	51.3	10%	0.095	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-10.5	-178.6	-69.6	0	0	0	0	113	Y104 M107 H110 N119	Y104-C113 VanDerWaalsContact CZ-SG 3.56Å; Y104-C113 WeakPolarHBondContact OH-CB 3.3Å; M107-C113 PolarHBondContact O-SG 3.22Å; H110-C113 WeakPolarHBondContact O-CB 3.45Å; H110-C113 PolarHBondContact O-N 3.09Å; C113-N119 PolarHBondContact O-ND2 2.7Å; C113-N119 PolarHBondContact O-OD1 2.93Å
114	T	94.6	Very high	96.6	Very high	117 Å²	117	56.7 Å²	56.7	72%	0.718	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-12.5	170.5	64.6	0	0	0	0	112.5	D111 Y112	D111-T114 PolarHBondContact O-OG1 3.37Å; Y112-T114 PolarHBondContact O-N 2.92Å
115	K	96.3	Very high	96.6	Very high	51 Å²	51	56.9 Å²	56.9	22%	0.222	29%	0.286	C	S	.	.			trans	-87.6	128.9	-177.7	-62.5	-173.7	167.1	-150.2	0	111.5	Y112 V117 F118 N119 E210 M214	Y112-K115 HydrophobicContact CD1-CD 4.46Å; Y112-K115 WeakPolarHBondContact O-CB 3.49Å; Y112-K115 PolarHBondContact O-N 2.71Å; K115-V117 PolarHBondContact O-N 3.2Å; K115-F118 HydrophobicContact CB-CB 4.03Å; K115-F118 WeakPolarHBondContact O-CB 3.46Å; K115-F118 PolarHBondContact O-N 3.17Å; K115-N119 PolarHBondContact O-N 2.78Å; K115-N119 VanDerWaalsContact O-N 3.15Å; K115-N119 PolarHBondContact O-ND2 3.21Å; K115-E210 IonicContact NZ-OE1 2.72Å; K115-E210 PolarHBondContact NZ-OE1 2.71Å; K115-E210 IonicContact NZ-OE2 3.4Å; K115-E210 PolarHBondContact NZ-OE2 3.37Å; K115-M214 HydrophobicContact CB-SD 4.29Å; K115-M214 HydrophobicContact CD-CE 4.13Å; K115-M214 HydrophobicContact CD-SD 3.46Å; K115-M214 WeakPolarHBondContact CD-SD 3.27Å
116	E	96.7	Very high	96.6	Very high	144 Å²	144	56.9 Å²	56.9	67%	0.673	29%	0.286	S	S	*	.	H	α-helix	trans	-62.1	-46	-179	-158.4	-164.5	147.2	0	0	112.4	F118 N119 N120	E116-F118 VanDerWaalsContact C-N 3.25Å; E116-F118 PolarHBondContact O-N 2.84Å; E116-N119 PolarHBondContact O-N 3.43Å; E116-N119 VanDerWaalsContact O-N 3.13Å; E116-N120 WeakPolarHBondContact O-CB 3.41Å; E116-N120 VanDerWaalsContact O-CG 3.26Å; E116-N120 PolarHBondContact O-N 3.28Å; E116-N120 PolarHBondContact OE1-ND2 3.28Å; E116-N120 VanDerWaalsContact OE1-ND2 3.17Å
117	V	97.3	Very high	96.6	Very high	66 Å²	66	55.1 Å²	55.1	40%	0.4	28%	0.277	S	S	.	.	H	α-helix	trans	-55.5	-42	177.2	177.7	0	0	0	0	111.3	K115 N121 P212 M214	K115-V117 PolarHBondContact O-N 3.2Å; V117-N121 VanDerWaalsContact O-CB 3.29Å; V117-N121 WeakPolarHBondContact O-CB 3.42Å; V117-N121 VanDerWaalsContact O-CG 3.27Å; V117-N121 PolarHBondContact O-N 3.18Å; V117-N121 PolarHBondContact O-ND2 2.92Å; V117-P212 VanDerWaalsContact CG1-O 3.28Å; V117-P212 WeakPolarHBondContact CG1-O 3.28Å; V117-M214 HydrophobicContact CB-CG 4.44Å; V117-M214 HydrophobicContact CG1-CG 4.06Å
118	F	98.1	Very high	96.7	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-63.4	-47.4	178.2	-171.3	-87.2	0	0	0	111.7	Y104 M107 Y112 K115 E116 F122 L204 M214 G215	Y104-F118 HydrophobicContact CD2-CE1 4.14Å; Y104-F118 HydrophobicContact CE2-CD1 4.2Å; Y104-F118 AromaticContact CE2-CE1 3.98Å; Y104-F118 HydrophobicContact CE2-CE1 3.98Å; M107-F118 HydrophobicContact CE-CE2 4.19Å; M107-F118 HydrophobicContact CE-CZ 3.69Å; M107-F118 HydrophobicContact SD-CZ 4.25Å; Y112-F118 AromaticContact CD1-CD2 3.89Å; Y112-F118 HydrophobicContact CD1-CD2 3.89Å; Y112-F118 HydrophobicContact CD1-CE2 4.18Å; Y112-F118 HydrophobicContact CG-CD2 4.1Å; Y112-F118 HydrophobicContact CG-CE2 4.05Å; Y112-F118 VanDerWaalsContact O-CB 3.23Å; Y112-F118 WeakPolarHBondContact O-CB 3.45Å; Y112-F118 WeakPolarHBondContact O-CG 3.32Å; K115-F118 HydrophobicContact CB-CB 4.03Å; K115-F118 WeakPolarHBondContact O-CB 3.46Å; K115-F118 PolarHBondContact O-N 3.17Å; E116-F118 VanDerWaalsContact C-N 3.25Å; E116-F118 PolarHBondContact O-N 2.84Å; F118-F122 VanDerWaalsContact O-CB 3.29Å; F118-F122 WeakPolarHBondContact O-CB 3.26Å; F118-F122 PolarHBondContact O-N 3.4Å; F118-L204 HydrophobicContact CE1-CD1 3.74Å; F118-L204 HydrophobicContact CE2-CB 4.48Å; F118-L204 HydrophobicContact CZ-CB 4.02Å; F118-L204 HydrophobicContact CZ-CD1 3.49Å; F118-L204 VanDerWaalsContact CZ-CD1 3.49Å; F118-L204 HydrophobicContact CZ-CG 4.37Å; F118-M214 WeakPolarHBondContact CA-O 3.3Å; F118-M214 HydrophobicContact CB-CG 3.93Å; F118-M214 HydrophobicContact CB-SD 4.07Å; F118-M214 HydrophobicContact CD2-CB 3.98Å; F118-M214 HydrophobicContact CD2-CG 4.01Å; F118-M214 HydrophobicContact CD2-SD 4.4Å; F118-M214 HydrophobicContact CG-CG 4.48Å; F118-G215 VanDerWaalsContact CE2-CA 3.47Å; F118-G215 WeakPolarHBondContact O-CA 3.09Å
119	N	97.9	Very high	96.8	Very high	24 Å²	24	59.9 Å²	59.9	13%	0.128	30%	0.299	C	S	.	.	H	α-helix	trans	-67.9	-41.9	-178.3	-66	-19.2	0	0	0	111.9	Y104 C113 K115 E116 F122 F123 F141	Y104-N119 WeakPolarHBondContact CE2-OD1 3.48Å; Y104-N119 PolarHBondContact OH-OD1 3.05Å; C113-N119 PolarHBondContact O-ND2 2.7Å; C113-N119 PolarHBondContact O-OD1 2.93Å; K115-N119 PolarHBondContact O-N 2.78Å; K115-N119 VanDerWaalsContact O-N 3.15Å; K115-N119 PolarHBondContact O-ND2 3.21Å; E116-N119 PolarHBondContact O-N 3.43Å; E116-N119 VanDerWaalsContact O-N 3.13Å; N119-F122 PolarHBondContact O-N 3.32Å; N119-F123 WeakPolarHBondContact O-CB 3.48Å; N119-F123 PolarHBondContact O-N 3.18Å; N119-F141 HydrophobicContact CB-CD1 4.14Å; N119-F141 HydrophobicContact CB-CE1 3.71Å; N119-F141 HydrophobicContact CB-CZ 4.31Å
120	N	98.2	Very high	97	Very high	87 Å²	87	54.6 Å²	54.6	47%	0.465	27%	0.271	S	S	.	.	H	α-helix	trans	-63.8	-46.6	178.1	-71.3	-13.8	0	0	0	111.3	E116 F123 K124	E116-N120 WeakPolarHBondContact O-CB 3.41Å; E116-N120 VanDerWaalsContact O-CG 3.26Å; E116-N120 PolarHBondContact O-N 3.28Å; E116-N120 PolarHBondContact OE1-ND2 3.28Å; E116-N120 VanDerWaalsContact OE1-ND2 3.17Å; N120-F123 PolarHBondContact O-N 2.83Å; N120-K124 WeakPolarHBondContact O-CB 3.3Å; N120-K124 PolarHBondContact O-N 2.72Å
121	N	98.4	Very high	97.2	Very high	31 Å²	31	54.1 Å²	54.1	17%	0.166	27%	0.273	C	S	.	.	H	α-helix	trans	-65.9	-43.9	177	-76.2	-26	0	0	0	112.4	V117 K124 D125 P212 M214 M216	V117-N121 VanDerWaalsContact O-CB 3.29Å; V117-N121 WeakPolarHBondContact O-CB 3.42Å; V117-N121 VanDerWaalsContact O-CG 3.27Å; V117-N121 PolarHBondContact O-N 3.18Å; V117-N121 PolarHBondContact O-ND2 2.92Å; N121-K124 PolarHBondContact O-N 2.84Å; N121-D125 PolarHBondContact O-N 2.84Å; N121-D125 VanDerWaalsContact O-N 3.13Å; N121-P212 PolarHBondContact ND2-O 2.97Å; N121-M214 WeakPolarHBondContact CB-O 3.29Å; N121-M214 PolarHBondContact ND2-O 3.13Å; N121-M216 HydrophobicContact CB-CG 3.94Å
122	F	98.6	Very high	97.4	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-57.9	-51.6	175	167.5	-108.4	0	0	0	110.5	Y104 F118 N119 K124 D125 F126 F141 F146 L204 G215	Y104-F122 HydrophobicContact CD1-CE1 4.45Å; Y104-F122 HydrophobicContact CD2-CB 4.26Å; Y104-F122 AromaticContact CD2-CD1 3.31Å; Y104-F122 HydrophobicContact CD2-CD1 3.31Å; Y104-F122 HydrophobicContact CD2-CD2 4.16Å; Y104-F122 AromaticContact CD2-CE1 3.63Å; Y104-F122 HydrophobicContact CD2-CE1 3.63Å; Y104-F122 HydrophobicContact CD2-CE2 4.42Å; Y104-F122 AromaticContact CD2-CG 3.61Å; Y104-F122 HydrophobicContact CD2-CG 3.61Å; Y104-F122 HydrophobicContact CD2-CZ 4.18Å; Y104-F122 AromaticContact CE2-CD1 3.92Å; Y104-F122 HydrophobicContact CE2-CD1 3.92Å; Y104-F122 HydrophobicContact CE2-CE1 4.47Å; Y104-F122 HydrophobicContact CE2-CG 4.34Å; Y104-F122 AromaticContact CG-CD1 3.85Å; Y104-F122 HydrophobicContact CG-CD1 3.85Å; Y104-F122 AromaticContact CG-CE1 3.64Å; Y104-F122 HydrophobicContact CG-CE1 3.64Å; Y104-F122 HydrophobicContact CG-CE2 4.46Å; Y104-F122 HydrophobicContact CG-CG 4.36Å; Y104-F122 AromaticContact CG-CZ 3.97Å; Y104-F122 HydrophobicContact CG-CZ 3.97Å; F118-F122 VanDerWaalsContact O-CB 3.29Å; F118-F122 WeakPolarHBondContact O-CB 3.26Å; F118-F122 PolarHBondContact O-N 3.4Å; N119-F122 PolarHBondContact O-N 3.32Å; F122-K124 VanDerWaalsContact C-N 3.31Å; F122-K124 PolarHBondContact O-N 3.33Å; F122-D125 PolarHBondContact O-N 3.26Å; F122-D125 VanDerWaalsContact O-N 3.16Å; F122-F126 HydrophobicContact CD2-CB 4.41Å; F122-F126 HydrophobicContact CE1-CB 4.11Å; F122-F126 HydrophobicContact CE1-CD1 4.12Å; F122-F126 HydrophobicContact CE1-CG 4.12Å; F122-F126 HydrophobicContact CE2-CB 3.94Å; F122-F126 HydrophobicContact CE2-CD2 4.44Å; F122-F126 HydrophobicContact CE2-CG 4.25Å; F122-F126 HydrophobicContact CZ-CB 3.77Å; F122-F126 HydrophobicContact CZ-CD1 4.07Å; F122-F126 AromaticContact CZ-CD2 3.99Å; F122-F126 HydrophobicContact CZ-CD2 3.99Å; F122-F126 AromaticContact CZ-CG 3.68Å; F122-F126 HydrophobicContact CZ-CG 3.68Å; F122-F126 WeakPolarHBondContact O-CB 3.44Å; F122-F126 PolarHBondContact O-N 3.19Å; F122-F141 HydrophobicContact CD1-CD2 4.41Å; F122-F141 AromaticContact CD1-CE2 3.72Å; F122-F141 HydrophobicContact CD1-CE2 3.72Å; F122-F141 HydrophobicContact CD1-CZ 4.39Å; F122-F141 AromaticContact CE1-CE2 3.82Å; F122-F141 HydrophobicContact CE1-CE2 3.82Å; F122-F146 HydrophobicContact CE1-CZ 4.02Å; F122-F146 HydrophobicContact CZ-CZ 4.43Å; F122-L204 HydrophobicContact CD2-CD1 4.06Å; F122-L204 HydrophobicContact CD2-CD2 3.6Å; F122-L204 HydrophobicContact CE2-CD2 4.08Å; F122-G215 VanDerWaalsContact CA-O 3.24Å; F122-G215 WeakPolarHBondContact CA-O 3.2Å; F122-G215 PolarHBondContact N-O 2.87Å
123	F	98.6	Very high	97.5	Very high	27 Å²	27	60.9 Å²	60.9	12%	0.118	30%	0.303	C	S	.	.	H	α-helix	trans	-62.8	-39.4	-176.4	-171.5	-122	0	0	0	112	N119 N120 D125 F126 R127 I138 K139 F141	N119-F123 WeakPolarHBondContact O-CB 3.48Å; N119-F123 PolarHBondContact O-N 3.18Å; N120-F123 PolarHBondContact O-N 2.83Å; F123-D125 VanDerWaalsContact C-N 3.35Å; F123-D125 PolarHBondContact O-N 3.29Å; F123-F126 HydrophobicContact CD2-CD1 4.15Å; F123-F126 HydrophobicContact CE2-CD1 4.45Å; F123-F126 PolarHBondContact O-N 3.47Å; F123-R127 HydrophobicContact CE1-CG 4.34Å; F123-R127 HydrophobicContact CE2-CG 4.3Å; F123-R127 HydrophobicContact CZ-CG 4.17Å; F123-R127 WeakPolarHBondContact O-CG 3.48Å; F123-R127 PolarHBondContact O-N 3.27Å; F123-I138 HydrophobicContact CE2-CG2 3.97Å; F123-I138 HydrophobicContact CZ-CG2 4.39Å; F123-K139 WeakPolarHBondContact CE1-O 3.36Å; F123-K139 WeakPolarHBondContact CZ-O 3.26Å; F123-F141 HydrophobicContact CB-CB 4.14Å; F123-F141 HydrophobicContact CB-CD2 3.98Å; F123-F141 HydrophobicContact CB-CG 4.2Å; F123-F141 HydrophobicContact CD1-CB 4Å; F123-F141 HydrophobicContact CD2-CB 3.8Å; F123-F141 AromaticContact CD2-CD2 3.69Å; F123-F141 HydrophobicContact CD2-CD2 3.69Å; F123-F141 HydrophobicContact CD2-CG 4.19Å; F123-F141 HydrophobicContact CE1-CB 4.33Å; F123-F141 HydrophobicContact CE2-CB 4.15Å; F123-F141 HydrophobicContact CE2-CD2 4.46Å; F123-F141 HydrophobicContact CG-CB 3.72Å; F123-F141 HydrophobicContact CG-CD2 4.05Å; F123-F141 HydrophobicContact CG-CG 4.22Å; F123-F141 HydrophobicContact CZ-CB 4.4Å
124	K	98.3	Very high	97.6	Very high	135 Å²	135	60.8 Å²	60.8	59%	0.587	30%	0.301	S	S	*	.	H	α-helix	trans	-57.3	-45.8	174.4	-178.7	179	179.4	178.1	0	112.2	N120 N121 F122	N120-K124 WeakPolarHBondContact O-CB 3.3Å; N120-K124 PolarHBondContact O-N 2.72Å; N121-K124 PolarHBondContact O-N 2.84Å; F122-K124 VanDerWaalsContact C-N 3.31Å; F122-K124 PolarHBondContact O-N 3.33Å
125	D	98.3	Very high	97.7	Very high	15 Å²	15	60 Å²	60	8%	0.08	29%	0.285	C	S	.	.	H	α-helix	trans	-78.5	-34.3	179.4	-78.9	-10.1	0	0	0	112.7	N121 F122 F123 R127 K128 M216 I217	N121-D125 PolarHBondContact O-N 2.84Å; N121-D125 VanDerWaalsContact O-N 3.13Å; F122-D125 PolarHBondContact O-N 3.26Å; F122-D125 VanDerWaalsContact O-N 3.16Å; F123-D125 VanDerWaalsContact C-N 3.35Å; F123-D125 PolarHBondContact O-N 3.29Å; D125-R127 VanDerWaalsContact C-N 3.28Å; D125-R127 PolarHBondContact O-N 3.12Å; D125-K128 VanDerWaalsContact O-CB 3.3Å; D125-K128 WeakPolarHBondContact O-CB 3.46Å; D125-K128 PolarHBondContact O-N 3.37Å; D125-K128 WeakPolarHBondContact OD1-CE 3.3Å; D125-K128 IonicContact OD1-NZ 2.97Å; D125-K128 PolarHBondContact OD1-NZ 3.38Å; D125-M216 WeakPolarHBondContact OD2-CA 3.46Å; D125-M216 WeakPolarHBondContact OD2-CB 3.19Å; D125-I217 HydrophobicContact CB-CB 4.01Å; D125-I217 HydrophobicContact CB-CD1 3.85Å; D125-I217 HydrophobicContact CB-CG1 3.73Å; D125-I217 PolarHBondContact OD2-N 3.36Å
126	F	98.3	Very high	97.8	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-60	-38.9	174.1	-179	-132.8	0	0	0	111.5	T97 A100 A101 F122 F123 K128 S129 M130 F146	T97-F126 HydrophobicContact CG2-CD2 4.38Å; T97-F126 HydrophobicContact CG2-CE2 3.5Å; T97-F126 VanDerWaalsContact CG2-CE2 3.5Å; T97-F126 HydrophobicContact CG2-CZ 3.82Å; T97-F126 WeakPolarHBondContact O-CE2 3.39Å; A100-F126 HydrophobicContact CB-CD2 3.8Å; A100-F126 HydrophobicContact CB-CE2 4.23Å; A101-F126 HydrophobicContact CB-CE2 3.85Å; A101-F126 HydrophobicContact CB-CZ 4.03Å; F122-F126 HydrophobicContact CD2-CB 4.41Å; F122-F126 HydrophobicContact CE1-CB 4.11Å; F122-F126 HydrophobicContact CE1-CD1 4.12Å; F122-F126 HydrophobicContact CE1-CG 4.12Å; F122-F126 HydrophobicContact CE2-CB 3.94Å; F122-F126 HydrophobicContact CE2-CD2 4.44Å; F122-F126 HydrophobicContact CE2-CG 4.25Å; F122-F126 HydrophobicContact CZ-CB 3.77Å; F122-F126 HydrophobicContact CZ-CD1 4.07Å; F122-F126 AromaticContact CZ-CD2 3.99Å; F122-F126 HydrophobicContact CZ-CD2 3.99Å; F122-F126 AromaticContact CZ-CG 3.68Å; F122-F126 HydrophobicContact CZ-CG 3.68Å; F122-F126 WeakPolarHBondContact O-CB 3.44Å; F122-F126 PolarHBondContact O-N 3.19Å; F123-F126 HydrophobicContact CD2-CD1 4.15Å; F123-F126 HydrophobicContact CE2-CD1 4.45Å; F123-F126 PolarHBondContact O-N 3.47Å; F126-K128 PolarHBondContact O-N 3.08Å; F126-S129 PolarHBondContact O-N 3.21Å; F126-S129 PolarHBondContact O-OG 2.98Å; F126-M130 HydrophobicContact CD1-CE 3.29Å; F126-M130 HydrophobicContact CD2-CE 4.32Å; F126-M130 HydrophobicContact CE1-CE 3.25Å; F126-M130 HydrophobicContact CE2-CE 4.28Å; F126-M130 HydrophobicContact CG-CE 3.85Å; F126-M130 HydrophobicContact CZ-CE 3.78Å; F126-F146 HydrophobicContact CE1-CZ 4.42Å
127	R	97.9	Very high	97.8	Very high	64 Å²	64	60.4 Å²	60.4	24%	0.242	29%	0.289	C	S	.	.	H	α-helix	trans	-61.8	-24.4	172.3	-73.2	-175.9	75.5	77.1	7.9	113.7	F123 D125 M130 R135 I138	F123-R127 HydrophobicContact CE1-CG 4.34Å; F123-R127 HydrophobicContact CE2-CG 4.3Å; F123-R127 HydrophobicContact CZ-CG 4.17Å; F123-R127 WeakPolarHBondContact O-CG 3.48Å; F123-R127 PolarHBondContact O-N 3.27Å; D125-R127 VanDerWaalsContact C-N 3.28Å; D125-R127 PolarHBondContact O-N 3.12Å; R127-M130 HydrophobicContact CB-SD 4.42Å; R127-M130 HydrophobicContact CG-CE 4.27Å; R127-M130 HydrophobicContact CG-SD 4.19Å; R127-R135 PolarHBondContact NH2-O 3.3Å; R127-R135 PolarHBondContact O-NE 3.02Å; R127-R135 PolarHBondContact O-NH2 3.18Å; R127-I138 PolarHBondContact NH1-O 3.49Å
128	K	97.6	Very high	97.8	Very high	125 Å²	125	57.2 Å²	57.2	54%	0.543	27%	0.27	S	S	.	.	H	α-helix	trans	-76.8	-27.3	179.2	-61.7	173.1	-173.9	162	0	112.5	D125 F126 M130	D125-K128 VanDerWaalsContact O-CB 3.3Å; D125-K128 WeakPolarHBondContact O-CB 3.46Å; D125-K128 PolarHBondContact O-N 3.37Å; D125-K128 WeakPolarHBondContact OD1-CE 3.3Å; D125-K128 IonicContact OD1-NZ 2.97Å; D125-K128 PolarHBondContact OD1-NZ 3.38Å; F126-K128 PolarHBondContact O-N 3.08Å; K128-M130 VanDerWaalsContact C-N 3.31Å
129	S	96.6	Very high	97.8	Very high	24 Å²	24	64.2 Å²	64.2	17%	0.168	30%	0.3	C	S	.	.	H	α-helix	trans	-78.4	-16.9	173.8	57.7	0	0	0	0	113.2	T97 F126	T97-S129 VanDerWaalsContact OG1-C 3.3Å; T97-S129 PolarHBondContact OG1-O 3.22Å; F126-S129 PolarHBondContact O-N 3.21Å; F126-S129 PolarHBondContact O-OG 2.98Å
130	M	97.9	Very high	97.8	Very high	6 Å²	6	65 Å²	65	3%	0.03	31%	0.305	C	S	.	.	S	Bend	trans	-69.2	137.5	179.7	-67.7	174	-167	0	0	112.9	T97 F126 R127 K128 E134 R135 I138	T97-M130 HydrophobicContact CG2-CG 3.81Å; T97-M130 VanDerWaalsContact OG1-CA 3.26Å; T97-M130 WeakPolarHBondContact OG1-CA 3.5Å; T97-M130 PolarHBondContact OG1-N 3.48Å; F126-M130 HydrophobicContact CD1-CE 3.29Å; F126-M130 HydrophobicContact CD2-CE 4.32Å; F126-M130 HydrophobicContact CE1-CE 3.25Å; F126-M130 HydrophobicContact CE2-CE 4.28Å; F126-M130 HydrophobicContact CG-CE 3.85Å; F126-M130 HydrophobicContact CZ-CE 3.78Å; R127-M130 HydrophobicContact CB-SD 4.42Å; R127-M130 HydrophobicContact CG-CE 4.27Å; R127-M130 HydrophobicContact CG-SD 4.19Å; K128-M130 VanDerWaalsContact C-N 3.31Å; M130-E134 HydrophobicContact CB-CB 3.85Å; M130-E134 HydrophobicContact CG-CB 4.01Å; M130-R135 HydrophobicContact CB-CB 4.08Å; M130-R135 PolarHBondContact O-NH2 3.27Å; M130-R135 VanDerWaalsContact O-NH2 3.08Å; M130-R135 HydrophobicContact SD-CB 4.48Å; M130-I138 HydrophobicContact CE-CB 3.91Å; M130-I138 HydrophobicContact CE-CD1 3.75Å; M130-I138 HydrophobicContact CE-CG1 4.46Å; M130-I138 HydrophobicContact CE-CG2 3.67Å; M130-I138 HydrophobicContact SD-CB 4.03Å; M130-I138 HydrophobicContact SD-CD1 4.09Å; M130-I138 HydrophobicContact SD-CG2 4.41Å
131	T	98.1	Very high	97.7	Very high	57 Å²	57	62.6 Å²	62.6	35%	0.35	29%	0.29	S	S	.	.			trans	-58.5	161.4	160.2	63.5	0	0	0	0	110.8	R133 E134 R135	T131-R133 VanDerWaalsContact C-N 3.27Å; T131-R133 PolarHBondContact O-N 3.46Å; T131-E134 VanDerWaalsContact CB-OE2 3.28Å; T131-E134 WeakPolarHBondContact CB-OE2 3.47Å; T131-E134 VanDerWaalsContact CG2-OE2 3.28Å; T131-E134 WeakPolarHBondContact CG2-OE2 3.24Å; T131-E134 PolarHBondContact N-OE2 3.23Å; T131-E134 PolarHBondContact O-N 2.86Å; T131-E134 VanDerWaalsContact OG1-CD 3.27Å; T131-E134 VanDerWaalsContact OG1-CG 3.29Å; T131-E134 WeakPolarHBondContact OG1-CG 3.3Å; T131-E134 PolarHBondContact OG1-N 3.48Å; T131-E134 PolarHBondContact OG1-OE2 3.47Å; T131-R135 WeakPolarHBondContact O-CB 3.23Å; T131-R135 PolarHBondContact O-N 3.08Å
132	P	97.7	Very high	97.6	Very high	102 Å²	102	71 Å²	71	66%	0.662	32%	0.319	S	S	*	.	H	α-helix	trans	-53.1	-43.9	176.5	-28.3	36.2	0	0	0	113	R135 E136	P132-R135 WeakPolarHBondContact O-CB 3.45Å; P132-R135 PolarHBondContact O-N 3.23Å; P132-E136 WeakPolarHBondContact O-CG 3.45Å; P132-E136 PolarHBondContact O-N 3.34Å; P132-E136 VanDerWaalsContact O-N 3.08Å
133	R	97.1	Very high	97.6	Very high	190 Å²	190	74.9 Å²	74.9	72%	0.717	34%	0.336	S	S	*	.	H	α-helix	trans	-63.8	-46	179.1	-175.7	-179.6	179	-175.1	0.1	112.8	T131 R135 E136 I137	T131-R133 VanDerWaalsContact C-N 3.27Å; T131-R133 PolarHBondContact O-N 3.46Å; R133-R135 VanDerWaalsContact C-N 3.28Å; R133-R135 PolarHBondContact O-N 3.41Å; R133-E136 PolarHBondContact O-N 2.92Å; R133-I137 HydrophobicContact CG-CD1 4.24Å; R133-I137 WeakPolarHBondContact O-CG1 3.25Å; R133-I137 PolarHBondContact O-N 3.05Å
134	E	97.9	Very high	97.6	Very high	12 Å²	12	74.4 Å²	74.4	6%	0.056	34%	0.336	C	S	.	.	H	α-helix	trans	-62.8	-39	177.4	-72	163.5	134.1	0	0	111.3	L93 S94 T97 M130 T131 E136 I137 I138	L93-E134 VanDerWaalsContact CA-OE1 3.26Å; L93-E134 WeakPolarHBondContact CA-OE1 3.49Å; S94-E134 PolarHBondContact N-OE1 3.28Å; S94-E134 PolarHBondContact OG-OE1 2.91Å; S94-E134 PolarHBondContact OG-OE2 3.44Å; T97-E134 PolarHBondContact OG1-OE2 3.08Å; M130-E134 HydrophobicContact CB-CB 3.85Å; M130-E134 HydrophobicContact CG-CB 4.01Å; T131-E134 VanDerWaalsContact CB-OE2 3.28Å; T131-E134 WeakPolarHBondContact CB-OE2 3.47Å; T131-E134 VanDerWaalsContact CG2-OE2 3.28Å; T131-E134 WeakPolarHBondContact CG2-OE2 3.24Å; T131-E134 PolarHBondContact N-OE2 3.23Å; T131-E134 PolarHBondContact O-N 2.86Å; T131-E134 VanDerWaalsContact OG1-CD 3.27Å; T131-E134 VanDerWaalsContact OG1-CG 3.29Å; T131-E134 WeakPolarHBondContact OG1-CG 3.3Å; T131-E134 PolarHBondContact OG1-N 3.48Å; T131-E134 PolarHBondContact OG1-OE2 3.47Å; E134-E136 VanDerWaalsContact C-N 3.3Å; E134-E136 PolarHBondContact O-N 2.88Å; E134-I137 PolarHBondContact O-N 3.35Å; E134-I137 VanDerWaalsContact O-N 3.16Å; E134-I138 HydrophobicContact CB-CD1 4.43Å; E134-I138 WeakPolarHBondContact O-CB 3.44Å; E134-I138 WeakPolarHBondContact O-CG1 3.48Å; E134-I138 PolarHBondContact O-N 3.2Å
135	R	97	Very high	97.6	Very high	101 Å²	101	71.6 Å²	71.6	38%	0.381	33%	0.327	S	S	.	.	H	α-helix	trans	-66.4	-31.1	-179.8	-170.1	178.4	-55.9	-158.6	6	113	R127 M130 T131 P132 R133	R127-R135 PolarHBondContact NH2-O 3.3Å; R127-R135 PolarHBondContact O-NE 3.02Å; R127-R135 PolarHBondContact O-NH2 3.18Å; M130-R135 HydrophobicContact CB-CB 4.08Å; M130-R135 PolarHBondContact O-NH2 3.27Å; M130-R135 VanDerWaalsContact O-NH2 3.08Å; M130-R135 HydrophobicContact SD-CB 4.48Å; T131-R135 WeakPolarHBondContact O-CB 3.23Å; T131-R135 PolarHBondContact O-N 3.08Å; P132-R135 WeakPolarHBondContact O-CB 3.45Å; P132-R135 PolarHBondContact O-N 3.23Å; R133-R135 VanDerWaalsContact C-N 3.28Å; R133-R135 PolarHBondContact O-N 3.41Å
136	E	97.2	Very high	97.6	Very high	137 Å²	137	71 Å²	71	64%	0.64	32%	0.324	S	S	*	.	H	α-helix	trans	-71.2	-36.2	172.2	-75.6	173.2	-174.1	0	0	112.4	P132 R133 E134 K139	P132-E136 WeakPolarHBondContact O-CG 3.45Å; P132-E136 PolarHBondContact O-N 3.34Å; P132-E136 VanDerWaalsContact O-N 3.08Å; R133-E136 PolarHBondContact O-N 2.92Å; E134-E136 VanDerWaalsContact C-N 3.3Å; E134-E136 PolarHBondContact O-N 2.88Å; E136-K139 WeakPolarHBondContact O-CE 3.28Å
137	I	97.6	Very high	97.5	Very high	65 Å²	65	74.6 Å²	74.6	33%	0.333	34%	0.341	S	S	.	.	H	α-helix	trans	-79	-56	-179.2	-64.1	166.9	0	0	0	110.6	Y86 L91 R133 E134 K139	Y86-I137 HydrophobicContact CD1-CG2 3.87Å; Y86-I137 HydrophobicContact CE1-CG2 4.18Å; Y86-I137 WeakPolarHBondContact CE1-O 3.29Å; Y86-I137 PolarHBondContact OH-O 3.19Å; Y86-I137 VanDerWaalsContact OH-O 3.11Å; L91-I137 HydrophobicContact CD1-CD1 4.13Å; L91-I137 HydrophobicContact CD2-CG2 4.01Å; R133-I137 HydrophobicContact CG-CD1 4.24Å; R133-I137 WeakPolarHBondContact O-CG1 3.25Å; R133-I137 PolarHBondContact O-N 3.05Å; E134-I137 PolarHBondContact O-N 3.35Å; E134-I137 VanDerWaalsContact O-N 3.16Å; I137-K139 PolarHBondContact O-N 3.5Å; I137-K139 VanDerWaalsContact O-N 3.14Å
138	I	97.8	Very high	97.5	Very high	0 Å²	0	74.3 Å²	74.3	0%	0	34%	0.342	C	S	.	.			trans	-82.8	94.2	-172.1	-54.5	168.8	0	0	0	107.8	F84 Y86 L91 L93 F123 R127 M130 E134	F84-I138 HydrophobicContact CE1-CD1 3.95Å; F84-I138 HydrophobicContact CE1-CG1 4.43Å; F84-I138 HydrophobicContact CZ-CD1 4.5Å; Y86-I138 HydrophobicContact CD2-CB 4.26Å; Y86-I138 HydrophobicContact CD2-CG1 4.19Å; Y86-I138 HydrophobicContact CD2-CG2 3.93Å; Y86-I138 HydrophobicContact CE2-CB 4.2Å; Y86-I138 HydrophobicContact CE2-CG2 3.86Å; Y86-I138 HydrophobicContact CG-CG1 4.38Å; L91-I138 HydrophobicContact CD2-CD1 3.78Å; L91-I138 HydrophobicContact CD2-CG1 3.71Å; L93-I138 HydrophobicContact CD2-CD1 3.89Å; F123-I138 HydrophobicContact CE2-CG2 3.97Å; F123-I138 HydrophobicContact CZ-CG2 4.39Å; R127-I138 PolarHBondContact NH1-O 3.49Å; M130-I138 HydrophobicContact CE-CB 3.91Å; M130-I138 HydrophobicContact CE-CD1 3.75Å; M130-I138 HydrophobicContact CE-CG1 4.46Å; M130-I138 HydrophobicContact CE-CG2 3.67Å; M130-I138 HydrophobicContact SD-CB 4.03Å; M130-I138 HydrophobicContact SD-CD1 4.09Å; M130-I138 HydrophobicContact SD-CG2 4.41Å; E134-I138 HydrophobicContact CB-CD1 4.43Å; E134-I138 WeakPolarHBondContact O-CB 3.44Å; E134-I138 WeakPolarHBondContact O-CG1 3.48Å; E134-I138 PolarHBondContact O-N 3.2Å
139	K	97.1	Very high	97.6	Very high	146 Å²	146	68.5 Å²	68.5	64%	0.635	32%	0.317	S	S	*	.			trans	-109.3	-31.1	-177.8	-62.9	-171.7	-171.3	-176.6	0	114.1	Y86 F123 E136 I137	Y86-K139 PolarHBondContact OH-N 3.11Å; F123-K139 WeakPolarHBondContact CE1-O 3.36Å; F123-K139 WeakPolarHBondContact CZ-O 3.26Å; E136-K139 WeakPolarHBondContact O-CE 3.28Å; I137-K139 PolarHBondContact O-N 3.5Å; I137-K139 VanDerWaalsContact O-N 3.14Å
140	D	97.1	Very high	97.6	Very high	42 Å²	42	68.2 Å²	68.2	23%	0.225	31%	0.313	C	S	.	.			trans	-117.5	124	-177.9	-170.7	-20.9	0	0	0	110.5	Y86 R142 K143	Y86-D140 WeakPolarHBondContact CE2-O 3.35Å; Y86-D140 PolarHBondContact OH-N 2.69Å; D140-R142 PolarHBondContact O-N 3.02Å; D140-R142 WeakPolarHBondContact OD1-CB 3.41Å; D140-R142 IonicContact OD1-CZ 3.06Å; D140-R142 PolarHBondContact OD1-N 3.43Å; D140-R142 IonicContact OD1-NE 3.66Å; D140-R142 PolarHBondContact OD1-NE 2.89Å; D140-R142 VanDerWaalsContact OD1-NE 3.1Å; D140-R142 IonicContact OD1-NH2 3.41Å; D140-R142 IonicContact OD2-CZ 2.73Å; D140-R142 IonicContact OD2-NE 3.06Å; D140-R142 PolarHBondContact OD2-NE 3.45Å; D140-R142 IonicContact OD2-NH2 3.27Å; D140-R142 PolarHBondContact OD2-NH2 3.39Å; D140-K143 HydrophobicContact CB-CB 4.46Å; D140-K143 HydrophobicContact CB-CD 4.2Å; D140-K143 HydrophobicContact CB-CG 4.13Å; D140-K143 PolarHBondContact O-N 3.48Å
141	F	97.1	Very high	97.6	Very high	36 Å²	36	72 Å²	72	16%	0.158	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-58.8	-36.2	177.3	-179.9	-110.9	0	0	0	112.6	Y104 N119 F122 F123 K143 C144 F146	Y104-F141 HydrophobicContact CE1-CE2 4.48Å; Y104-F141 AromaticContact CE1-CZ 3.89Å; Y104-F141 HydrophobicContact CE1-CZ 3.89Å; Y104-F141 HydrophobicContact CE2-CE2 4.39Å; Y104-F141 AromaticContact CE2-CZ 3.81Å; Y104-F141 HydrophobicContact CE2-CZ 3.81Å; Y104-F141 AromaticContact CZ-CZ 3.47Å; Y104-F141 VanDerWaalsContact CZ-CZ 3.47Å; Y104-F141 WeakPolarHBondContact OH-CZ 3.24Å; N119-F141 HydrophobicContact CB-CD1 4.14Å; N119-F141 HydrophobicContact CB-CE1 3.71Å; N119-F141 HydrophobicContact CB-CZ 4.31Å; F122-F141 HydrophobicContact CD1-CD2 4.41Å; F122-F141 AromaticContact CD1-CE2 3.72Å; F122-F141 HydrophobicContact CD1-CE2 3.72Å; F122-F141 HydrophobicContact CD1-CZ 4.39Å; F122-F141 AromaticContact CE1-CE2 3.82Å; F122-F141 HydrophobicContact CE1-CE2 3.82Å; F123-F141 HydrophobicContact CB-CB 4.14Å; F123-F141 HydrophobicContact CB-CD2 3.98Å; F123-F141 HydrophobicContact CB-CG 4.2Å; F123-F141 HydrophobicContact CD1-CB 4Å; F123-F141 HydrophobicContact CD2-CB 3.8Å; F123-F141 AromaticContact CD2-CD2 3.69Å; F123-F141 HydrophobicContact CD2-CD2 3.69Å; F123-F141 HydrophobicContact CD2-CG 4.19Å; F123-F141 HydrophobicContact CE1-CB 4.33Å; F123-F141 HydrophobicContact CE2-CB 4.15Å; F123-F141 HydrophobicContact CE2-CD2 4.46Å; F123-F141 HydrophobicContact CG-CB 3.72Å; F123-F141 HydrophobicContact CG-CD2 4.05Å; F123-F141 HydrophobicContact CG-CG 4.22Å; F123-F141 HydrophobicContact CZ-CB 4.4Å; F141-K143 PolarHBondContact O-N 2.93Å; F141-C144 WeakPolarHBondContact O-CB 3.44Å; F141-C144 PolarHBondContact O-N 2.87Å; F141-F146 AromaticContact CE2-CE2 3.89Å; F141-F146 HydrophobicContact CE2-CE2 3.89Å; F141-F146 HydrophobicContact CE2-CZ 4.29Å; F141-F146 HydrophobicContact CZ-CE2 4.41Å
142	R	96.8	Very high	97.6	Very high	207 Å²	207	72 Å²	72	78%	0.781	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-66.3	-21.2	-177.6	-61.4	170.7	-66.5	-175.2	3.9	113	D140 C144	D140-R142 PolarHBondContact O-N 3.02Å; D140-R142 WeakPolarHBondContact OD1-CB 3.41Å; D140-R142 IonicContact OD1-CZ 3.06Å; D140-R142 PolarHBondContact OD1-N 3.43Å; D140-R142 IonicContact OD1-NE 3.66Å; D140-R142 PolarHBondContact OD1-NE 2.89Å; D140-R142 VanDerWaalsContact OD1-NE 3.1Å; D140-R142 IonicContact OD1-NH2 3.41Å; D140-R142 IonicContact OD2-CZ 2.73Å; D140-R142 IonicContact OD2-NE 3.06Å; D140-R142 PolarHBondContact OD2-NE 3.45Å; D140-R142 IonicContact OD2-NH2 3.27Å; D140-R142 PolarHBondContact OD2-NH2 3.39Å; R142-C144 VanDerWaalsContact C-N 3.34Å
143	K	97.9	Very high	97.6	Very high	82 Å²	82	68.6 Å²	68.6	36%	0.357	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-84.6	-10.1	175.4	-67.8	-173.8	169	-150.1	0	113	Y86 D87 D140 F141	Y86-K143 WeakPolarHBondContact CA-O 3.42Å; Y86-K143 HydrophobicContact CD2-CB 3.93Å; Y86-K143 HydrophobicContact CE1-CD 4.43Å; Y86-K143 HydrophobicContact CE2-CB 3.54Å; Y86-K143 HydrophobicContact CE2-CD 4.47Å; D87-K143 HydrophobicContact CB-CB 4.42Å; D87-K143 HydrophobicContact CB-CD 4.07Å; D87-K143 VanDerWaalsContact CG-NZ 3.28Å; D87-K143 PolarHBondContact N-O 3.25Å; D87-K143 WeakPolarHBondContact OD1-CD 3.32Å; D87-K143 WeakPolarHBondContact OD1-CE 3.33Å; D87-K143 IonicContact OD1-NZ 3.35Å; D87-K143 PolarHBondContact OD1-NZ 3.09Å; D87-K143 IonicContact OD2-NZ 2.66Å; D87-K143 PolarHBondContact OD2-NZ 2.98Å; D140-K143 HydrophobicContact CB-CB 4.46Å; D140-K143 HydrophobicContact CB-CD 4.2Å; D140-K143 HydrophobicContact CB-CG 4.13Å; D140-K143 PolarHBondContact O-N 3.48Å; F141-K143 PolarHBondContact O-N 2.93Å
144	C	98.1	Very high	97.6	Very high	16 Å²	16	63.7 Å²	63.7	11%	0.108	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	132.6	177.1	-58.9	0	0	0	0	110	F84 F141 R142 F146	F84-C144 HydrophobicContact CE2-CB 3.9Å; F84-C144 HydrophobicContact CZ-CB 3.85Å; F141-C144 WeakPolarHBondContact O-CB 3.44Å; F141-C144 PolarHBondContact O-N 2.87Å; R142-C144 VanDerWaalsContact C-N 3.34Å; C144-F146 HydrophobicContact CB-CD2 4.41Å; C144-F146 HydrophobicContact CB-CE2 3.54Å; C144-F146 HydrophobicContact CB-CZ 3.76Å
145	N	98.1	Very high	97.5	Very high	76 Å²	76	64.9 Å²	64.9	41%	0.406	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	118.1	176	176.2	-11.8	0	0	0	110.3	F84 Y85 Q147	F84-N145 WeakPolarHBondContact CD2-O 3.32Å; Y85-N145 PolarHBondContact N-O 3Å; Y85-N145 PolarHBondContact O-N 2.88Å; N145-Q147 WeakPolarHBondContact OD1-CB 3.24Å; N145-Q147 PolarHBondContact OD1-N 3.2Å
146	F	98.1	Very high	97.5	Very high	4 Å²	4	62.4 Å²	62.4	2%	0.018	29%	0.292	C	S	.	.			trans	-105.7	6.9	-176.5	-54.7	-87.6	0	0	0	112.9	F84 A101 Y104 A105 L108 F122 F126 F141 C144 E148 M149 F150	F84-F146 AromaticContact CD2-CD1 3.97Å; F84-F146 HydrophobicContact CD2-CD1 3.97Å; F84-F146 AromaticContact CD2-CE1 3.99Å; F84-F146 HydrophobicContact CD2-CE1 3.99Å; F84-F146 AromaticContact CE2-CD1 3.93Å; F84-F146 HydrophobicContact CE2-CD1 3.93Å; F84-F146 AromaticContact CE2-CE1 3.57Å; F84-F146 HydrophobicContact CE2-CE1 3.57Å; F84-F146 HydrophobicContact CE2-CE2 4.45Å; F84-F146 AromaticContact CE2-CZ 3.86Å; F84-F146 HydrophobicContact CE2-CZ 3.86Å; A101-F146 HydrophobicContact CB-CD1 4.31Å; A101-F146 HydrophobicContact CB-CE1 3.98Å; Y104-F146 HydrophobicContact CD1-CD1 4.48Å; Y104-F146 AromaticContact CD1-CD2 3.6Å; Y104-F146 HydrophobicContact CD1-CD2 3.6Å; Y104-F146 AromaticContact CD1-CE2 3.75Å; Y104-F146 HydrophobicContact CD1-CE2 3.75Å; Y104-F146 AromaticContact CD1-CG 4Å; Y104-F146 HydrophobicContact CD1-CG 4Å; Y104-F146 HydrophobicContact CD1-CZ 4.26Å; Y104-F146 AromaticContact CE1-CD2 3.93Å; Y104-F146 HydrophobicContact CE1-CD2 3.93Å; Y104-F146 HydrophobicContact CE1-CE2 4.09Å; A105-F146 HydrophobicContact CB-CB 4.05Å; L108-F146 HydrophobicContact CD1-CB 4.42Å; F122-F146 HydrophobicContact CE1-CZ 4.02Å; F122-F146 HydrophobicContact CZ-CZ 4.43Å; F126-F146 HydrophobicContact CE1-CZ 4.42Å; F141-F146 AromaticContact CE2-CE2 3.89Å; F141-F146 HydrophobicContact CE2-CE2 3.89Å; F141-F146 HydrophobicContact CE2-CZ 4.29Å; F141-F146 HydrophobicContact CZ-CE2 4.41Å; C144-F146 HydrophobicContact CB-CD2 4.41Å; C144-F146 HydrophobicContact CB-CE2 3.54Å; C144-F146 HydrophobicContact CB-CZ 3.76Å; F146-E148 PolarHBondContact O-N 3.45Å; F146-M149 HydrophobicContact CD1-SD 4.47Å; F146-M149 PolarHBondContact O-N 3.42Å; F146-F150 PolarHBondContact O-N 3.46Å
147	Q	97.8	Very high	97.4	Very high	74 Å²	74	57.3 Å²	57.3	35%	0.346	27%	0.271	S	S	.	.	H	α-helix	trans	-62.3	-42.5	-168.5	-172.9	63	49.7	0	0	112.7	L108 N145 F150 N151	L108-Q147 HydrophobicContact CD2-CB 4.46Å; N145-Q147 WeakPolarHBondContact OD1-CB 3.24Å; N145-Q147 PolarHBondContact OD1-N 3.2Å; Q147-F150 WeakPolarHBondContact O-CB 3.39Å; Q147-F150 PolarHBondContact O-N 3.02Å; Q147-N151 PolarHBondContact NE2-OD1 3.02Å; Q147-N151 WeakPolarHBondContact O-CB 3.39Å; Q147-N151 PolarHBondContact O-N 3.48Å; Q147-N151 PolarHBondContact O-OD1 3.27Å
148	E	97.8	Very high	97.2	Very high	59 Å²	59	60.1 Å²	60.1	28%	0.276	28%	0.283	S	S	.	.	H	α-helix	trans	-66.6	-41.3	179.7	-169.4	174.8	-163.6	0	0	111.5	V82 R83 Y85 F146 F150 N151 Y152	V82-E148 HydrophobicContact CG1-CG 4.36Å; R83-E148 WeakPolarHBondContact CA-OE2 3.39Å; R83-E148 VanDerWaalsContact CB-OE2 3.31Å; R83-E148 WeakPolarHBondContact CB-OE2 3.46Å; R83-E148 PolarHBondContact N-OE2 3.41Å; Y85-E148 WeakPolarHBondContact CE2-OE2 3.45Å; F146-E148 PolarHBondContact O-N 3.45Å; E148-F150 VanDerWaalsContact C-N 3.34Å; E148-F150 PolarHBondContact O-N 3.06Å; E148-N151 PolarHBondContact O-N 3.49Å; E148-Y152 PolarHBondContact O-N 3.16Å
149	M	98.2	Very high	97.1	Very high	2 Å²	2	66.1 Å²	66.1	1%	0.01	31%	0.309	C	S	.	.	H	α-helix	trans	-61.6	-41.8	172.5	-59.7	179.7	80.6	0	0	111.7	V82 F84 E98 A101 T102 A105 F146 Y152 F153	V82-M149 HydrophobicContact CG1-CB 4.45Å; V82-M149 HydrophobicContact CG1-CG 4.14Å; F84-M149 HydrophobicContact CB-SD 4.19Å; E98-M149 HydrophobicContact CG-CE 4.28Å; A101-M149 HydrophobicContact CB-CE 4.05Å; A101-M149 HydrophobicContact CB-SD 4.18Å; T102-M149 HydrophobicContact CG2-CE 3.77Å; A105-M149 HydrophobicContact CB-CB 3.58Å; A105-M149 HydrophobicContact CB-SD 4.46Å; F146-M149 HydrophobicContact CD1-SD 4.47Å; F146-M149 PolarHBondContact O-N 3.42Å; M149-Y152 WeakPolarHBondContact O-CB 3.32Å; M149-Y152 PolarHBondContact O-N 3.25Å; M149-F153 WeakPolarHBondContact O-CD2 3.33Å; M149-F153 PolarHBondContact O-N 2.62Å
150	F	98.2	Very high	96.9	Very high	18 Å²	18	66 Å²	66	8%	0.079	30%	0.304	C	S	.	.	H	α-helix	trans	-60.6	-49.3	175.2	170.7	-102.8	0	0	0	111.2	A105 L108 N109 F146 Q147 E148 Y152 F153 Q154	A105-F150 WeakPolarHBondContact O-CB 3.44Å; A105-F150 WeakPolarHBondContact O-CD2 3.4Å; L108-F150 HydrophobicContact CB-CB 4.16Å; L108-F150 HydrophobicContact CB-CD2 3.88Å; L108-F150 HydrophobicContact CB-CE2 4.45Å; L108-F150 HydrophobicContact CB-CG 4.01Å; L108-F150 HydrophobicContact CD2-CB 3.82Å; L108-F150 HydrophobicContact CD2-CD1 4.43Å; L108-F150 HydrophobicContact CD2-CG 4.11Å; N109-F150 HydrophobicContact CB-CE2 4.42Å; N109-F150 HydrophobicContact CB-CZ 4.08Å; N109-F150 WeakPolarHBondContact ND2-CE1 3.33Å; N109-F150 VanDerWaalsContact ND2-CZ 3.29Å; N109-F150 WeakPolarHBondContact ND2-CZ 3.39Å; F146-F150 PolarHBondContact O-N 3.46Å; Q147-F150 WeakPolarHBondContact O-CB 3.39Å; Q147-F150 PolarHBondContact O-N 3.02Å; E148-F150 VanDerWaalsContact C-N 3.34Å; E148-F150 PolarHBondContact O-N 3.06Å; F150-Y152 VanDerWaalsContact C-N 3.29Å; F150-Y152 PolarHBondContact O-N 2.71Å; F150-F153 PolarHBondContact O-N 2.84Å; F150-F153 VanDerWaalsContact O-N 3.11Å; F150-Q154 HydrophobicContact CD1-CG 4.16Å; F150-Q154 HydrophobicContact CD2-CG 4.09Å; F150-Q154 HydrophobicContact CE1-CG 3.77Å; F150-Q154 HydrophobicContact CE2-CG 3.72Å; F150-Q154 HydrophobicContact CG-CG 4.34Å; F150-Q154 HydrophobicContact CZ-CG 3.55Å; F150-Q154 VanDerWaalsContact O-CG 3.32Å; F150-Q154 WeakPolarHBondContact O-CG 2.97Å; F150-Q154 PolarHBondContact O-N 3.06Å
151	N	97.9	Very high	96.7	Very high	85 Å²	85	71.1 Å²	71.1	46%	0.455	33%	0.325	S	S	.	.	H	α-helix	trans	-57.7	-42.6	178.2	-67.8	-10.9	0	0	0	111.4	Q147 E148 Q154 A155	Q147-N151 PolarHBondContact NE2-OD1 3.02Å; Q147-N151 WeakPolarHBondContact O-CB 3.39Å; Q147-N151 PolarHBondContact O-N 3.48Å; Q147-N151 PolarHBondContact O-OD1 3.27Å; E148-N151 PolarHBondContact O-N 3.49Å; N151-Q154 PolarHBondContact O-N 3.32Å; N151-A155 PolarHBondContact O-N 2.74Å
152	Y	97.9	Very high	96.6	Very high	57 Å²	57	73.5 Å²	73.5	22%	0.224	35%	0.351	C	S	.	.	H	α-helix	trans	-58	-50	173.7	168.8	-104.8	0	0	0	112	V78 P79 V82 E148 M149 F150 Q154 A155 E156	V78-Y152 HydrophobicContact CB-CE1 4.38Å; V78-Y152 HydrophobicContact CG1-CD1 4.04Å; V78-Y152 HydrophobicContact CG1-CE1 3.88Å; P79-Y152 HydrophobicContact CG-CE2 3.89Å; V82-Y152 HydrophobicContact CG1-CD1 4.49Å; V82-Y152 HydrophobicContact CG1-CG 4.16Å; V82-Y152 HydrophobicContact CG2-CD2 3.77Å; V82-Y152 HydrophobicContact CG2-CE2 4.5Å; V82-Y152 HydrophobicContact CG2-CG 3.85Å; E148-Y152 PolarHBondContact O-N 3.16Å; M149-Y152 WeakPolarHBondContact O-CB 3.32Å; M149-Y152 PolarHBondContact O-N 3.25Å; F150-Y152 VanDerWaalsContact C-N 3.29Å; F150-Y152 PolarHBondContact O-N 2.71Å; Y152-Q154 VanDerWaalsContact C-N 3.31Å; Y152-Q154 PolarHBondContact O-N 3.04Å; Y152-A155 PolarHBondContact O-N 2.94Å; Y152-E156 HydrophobicContact CD2-CG 4.19Å; Y152-E156 HydrophobicContact CE1-CG 4.03Å; Y152-E156 HydrophobicContact CE2-CG 3.68Å; Y152-E156 WeakPolarHBondContact O-CG 3.25Å; Y152-E156 PolarHBondContact O-N 2.92Å
153	F	97.3	Very high	96.5	Very high	32 Å²	32	64.2 Å²	64.2	14%	0.14	32%	0.318	C	S	.	.	H	α-helix	trans	-68.5	-28.6	-179.7	-72.7	-58.5	0	0	0	113.7	V78 T102 A105 K106 M149 F150 S157	V78-F153 HydrophobicContact CG1-CE2 4.41Å; V78-F153 HydrophobicContact CG1-CZ 3.92Å; T102-F153 HydrophobicContact CG2-CE2 3.93Å; T102-F153 HydrophobicContact CG2-CZ 3.77Å; A105-F153 HydrophobicContact CB-CD2 4.47Å; K106-F153 HydrophobicContact CD-CD1 4.48Å; K106-F153 HydrophobicContact CD-CD2 4.41Å; K106-F153 HydrophobicContact CD-CG 4.39Å; K106-F153 VanDerWaalsContact CE-CD1 3.45Å; K106-F153 HydrophobicContact CG-CB 4.01Å; K106-F153 HydrophobicContact CG-CD1 4.23Å; K106-F153 HydrophobicContact CG-CD2 3.61Å; K106-F153 HydrophobicContact CG-CE2 4.17Å; K106-F153 HydrophobicContact CG-CG 3.67Å; M149-F153 WeakPolarHBondContact O-CD2 3.33Å; M149-F153 PolarHBondContact O-N 2.62Å; F150-F153 PolarHBondContact O-N 2.84Å; F150-F153 VanDerWaalsContact O-N 3.11Å; F153-S157 WeakPolarHBondContact O-CB 3.5Å; F153-S157 PolarHBondContact O-N 3.33Å
154	Q	97	Very high	96.3	Very high	87 Å²	87	62.9 Å²	62.9	41%	0.407	32%	0.319	S	S	.	.	H	α-helix	trans	-66	-48.7	171.3	-69.5	-68.7	87.6	0	0	110.8	F150 N151 Y152 E156 S157 E158	F150-Q154 HydrophobicContact CD1-CG 4.16Å; F150-Q154 HydrophobicContact CD2-CG 4.09Å; F150-Q154 HydrophobicContact CE1-CG 3.77Å; F150-Q154 HydrophobicContact CE2-CG 3.72Å; F150-Q154 HydrophobicContact CG-CG 4.34Å; F150-Q154 HydrophobicContact CZ-CG 3.55Å; F150-Q154 VanDerWaalsContact O-CG 3.32Å; F150-Q154 WeakPolarHBondContact O-CG 2.97Å; F150-Q154 PolarHBondContact O-N 3.06Å; N151-Q154 PolarHBondContact O-N 3.32Å; Y152-Q154 VanDerWaalsContact C-N 3.31Å; Y152-Q154 PolarHBondContact O-N 3.04Å; Q154-E156 PolarHBondContact O-N 3.27Å; Q154-S157 VanDerWaalsContact O-CB 3.29Å; Q154-S157 WeakPolarHBondContact O-CB 3.32Å; Q154-S157 PolarHBondContact O-N 3.49Å; Q154-S157 VanDerWaalsContact O-N 3.11Å; Q154-E158 WeakPolarHBondContact O-CG 3.5Å; Q154-E158 PolarHBondContact O-N 3.44Å
155	A	96.7	Very high	96.2	Very high	36 Å²	36	71.3 Å²	71.3	30%	0.298	36%	0.355	S	S	.	.	H	α-helix	trans	-59.9	-42.5	175.2	0	0	0	0	0	112	N151 Y152 S157 E158 K159	N151-A155 PolarHBondContact O-N 2.74Å; Y152-A155 PolarHBondContact O-N 2.94Å; A155-S157 VanDerWaalsContact C-N 3.31Å; A155-S157 PolarHBondContact O-N 3.03Å; A155-E158 PolarHBondContact O-N 3.29Å; A155-K159 WeakPolarHBondContact O-CG 3.33Å; A155-K159 PolarHBondContact O-N 2.83Å
156	E	95.3	Very high	96.1	Very high	49 Å²	49	74.5 Å²	74.5	23%	0.229	37%	0.367	C	S	.	.	H	α-helix	trans	-63.5	-36.1	175	-73.7	-59.1	114.2	0	0	112.5	Y152 Q154 K159 R160	Y152-E156 HydrophobicContact CD2-CG 4.19Å; Y152-E156 HydrophobicContact CE1-CG 4.03Å; Y152-E156 HydrophobicContact CE2-CG 3.68Å; Y152-E156 WeakPolarHBondContact O-CG 3.25Å; Y152-E156 PolarHBondContact O-N 2.92Å; Q154-E156 PolarHBondContact O-N 3.27Å; E156-K159 WeakPolarHBondContact OE1-CD 3.34Å; E156-K159 IonicContact OE1-NZ 3.19Å; E156-K159 PolarHBondContact OE1-NZ 2.91Å; E156-R160 WeakPolarHBondContact O-CB 3.45Å; E156-R160 VanDerWaalsContact O-CG 3.3Å; E156-R160 WeakPolarHBondContact O-CG 3.16Å; E156-R160 PolarHBondContact O-N 3.43Å
157	S	94.9	Very high	95.8	Very high	31 Å²	31	79.1 Å²	79.1	22%	0.217	39%	0.388	C	S	.	.	H	α-helix	trans	-63.8	-43.5	173.7	-162.4	0	0	0	0	111.8	F153 Q154 A155 R160 K161	F153-S157 WeakPolarHBondContact O-CB 3.5Å; F153-S157 PolarHBondContact O-N 3.33Å; Q154-S157 VanDerWaalsContact O-CB 3.29Å; Q154-S157 WeakPolarHBondContact O-CB 3.32Å; Q154-S157 PolarHBondContact O-N 3.49Å; Q154-S157 VanDerWaalsContact O-N 3.11Å; A155-S157 VanDerWaalsContact C-N 3.31Å; A155-S157 PolarHBondContact O-N 3.03Å; S157-R160 PolarHBondContact O-N 3.29Å; S157-K161 WeakPolarHBondContact O-CG 3.28Å; S157-K161 PolarHBondContact O-N 3.06Å; S157-K161 VanDerWaalsContact O-N 3.12Å
158	E	95.3	Very high	95.6	Very high	123 Å²	123	80.5 Å²	80.5	58%	0.575	39%	0.393	S	S	*	.	H	α-helix	trans	-66.8	-45.6	177.4	-71	173.2	177.8	0	0	112.1	Q154 A155 R160 K161 A162	Q154-E158 WeakPolarHBondContact O-CG 3.5Å; Q154-E158 PolarHBondContact O-N 3.44Å; A155-E158 PolarHBondContact O-N 3.29Å; E158-R160 VanDerWaalsContact C-N 3.32Å; E158-R160 PolarHBondContact O-N 2.84Å; E158-K161 WeakPolarHBondContact O-CB 3.28Å; E158-K161 PolarHBondContact O-N 3.48Å; E158-A162 WeakPolarHBondContact O-CB 3.23Å; E158-A162 PolarHBondContact O-N 3.2Å
159	K	95	Very high	95.5	Very high	127 Å²	127	82 Å²	82	55%	0.552	40%	0.403	S	S	*	.	H	α-helix	trans	-54.9	-45.8	172.5	-72.4	177.5	-166.5	169.6	0	111.7	A155 E156 K161 A162 A163	A155-K159 WeakPolarHBondContact O-CG 3.33Å; A155-K159 PolarHBondContact O-N 2.83Å; E156-K159 WeakPolarHBondContact OE1-CD 3.34Å; E156-K159 IonicContact OE1-NZ 3.19Å; E156-K159 PolarHBondContact OE1-NZ 2.91Å; K159-K161 VanDerWaalsContact C-N 3.3Å; K159-K161 PolarHBondContact O-N 3Å; K159-A162 CarbonylContact O-C 3.52Å; K159-A162 PolarHBondContact O-N 3Å; K159-A163 PolarHBondContact O-N 3.44Å
160	R	92.8	Very high	95.3	Very high	142 Å²	142	86 Å²	86	54%	0.536	42%	0.423	S	S	.	.	H	α-helix	trans	-62	-35.4	176.5	-74.3	-175.7	-57.9	-143.4	1	113.1	E156 S157 E158 A163	E156-R160 WeakPolarHBondContact O-CB 3.45Å; E156-R160 VanDerWaalsContact O-CG 3.3Å; E156-R160 WeakPolarHBondContact O-CG 3.16Å; E156-R160 PolarHBondContact O-N 3.43Å; S157-R160 PolarHBondContact O-N 3.29Å; E158-R160 VanDerWaalsContact C-N 3.32Å; E158-R160 PolarHBondContact O-N 2.84Å; R160-A163 WeakPolarHBondContact O-CB 3.23Å
161	K	93.2	Very high	95	Very high	151 Å²	151	90 Å²	90	66%	0.657	44%	0.441	S	S	*	.	H	α-helix	trans	-70.7	-41.4	175.5	-69.2	170	-172.9	173.7	0	111.1	S157 E158 K159 A163 K168	S157-K161 WeakPolarHBondContact O-CG 3.28Å; S157-K161 PolarHBondContact O-N 3.06Å; S157-K161 VanDerWaalsContact O-N 3.12Å; E158-K161 WeakPolarHBondContact O-CB 3.28Å; E158-K161 PolarHBondContact O-N 3.48Å; K159-K161 VanDerWaalsContact C-N 3.3Å; K159-K161 PolarHBondContact O-N 3Å; K161-A163 VanDerWaalsContact C-N 3.29Å; K161-A163 PolarHBondContact O-N 3.01Å; K161-K168 PolarHBondContact O-NZ 3.06Å
162	A	94.3	Very high	94.9	Very high	85 Å²	85	91.5 Å²	91.5	70%	0.702	44%	0.443	S	S	*	.	H	α-helix	trans	-76.6	-10.4	178.4	0	0	0	0	0	114.3	E158 K159	E158-A162 WeakPolarHBondContact O-CB 3.23Å; E158-A162 PolarHBondContact O-N 3.2Å; K159-A162 CarbonylContact O-C 3.52Å; K159-A162 PolarHBondContact O-N 3Å
163	A	93.9	Very high	94.7	Very high	12 Å²	12	92.5 Å²	92.5	10%	0.099	45%	0.452	C	S	.	.			trans	-48.5	144.7	-178.3	0	0	0	0	0	113.2	K159 R160 K161 E167 K168	K159-A163 PolarHBondContact O-N 3.44Å; R160-A163 WeakPolarHBondContact O-CB 3.23Å; K161-A163 VanDerWaalsContact C-N 3.29Å; K161-A163 PolarHBondContact O-N 3.01Å; A163-E167 VanDerWaalsContact CA-OE2 3.32Å; A163-E167 WeakPolarHBondContact CA-OE2 3.39Å; A163-E167 HydrophobicContact CB-CB 4.36Å; A163-E167 WeakPolarHBondContact CB-OE2 3.39Å; A163-K168 HydrophobicContact CB-CG 4.25Å; A163-K168 VanDerWaalsContact O-CE 3.23Å; A163-K168 WeakPolarHBondContact O-CE 3.34Å; A163-K168 PolarHBondContact O-NZ 3.38Å
164	S	95.7	Very high	94.6	Very high	54 Å²	54	96.2 Å²	96.2	38%	0.378	47%	0.47	S	S	.	.			trans	-64.8	163.5	-175.6	85	0	0	0	0	111.5	E166 E167 K168	S164-E166 PolarHBondContact O-N 2.87Å; S164-E166 PolarHBondContact OG-N 2.96Å; S164-E167 PolarHBondContact N-OE2 3.36Å; S164-E167 PolarHBondContact O-N 3.44Å; S164-E167 WeakPolarHBondContact OG-CG 3.42Å; S164-E167 PolarHBondContact OG-N 3.2Å; S164-E167 VanDerWaalsContact OG-N 3.15Å; S164-K168 WeakPolarHBondContact O-CB 2.79Å; S164-K168 WeakPolarHBondContact O-CG 3.37Å; S164-K168 PolarHBondContact O-N 2.92Å; S164-K168 VanDerWaalsContact O-N 3.1Å
165	K	95.2	Very high	94.4	Very high	194 Å²	194	95.6 Å²	95.6	84%	0.843	47%	0.47	S	S	*	.	H	α-helix	trans	-60.4	-33.3	175	-71.7	-179.1	-179.4	172.3	0	111.7	L169	K165-L169 WeakPolarHBondContact O-CB 3.38Å; K165-L169 PolarHBondContact O-N 3.18Å
166	E	95	Very high	94.3	Very high	142 Å²	142	97.7 Å²	97.7	66%	0.664	47%	0.473	S	S	*	.	H	α-helix	trans	-70.9	-48.6	179.8	-174.6	172.5	-169.2	0	0	111.7	S164 K168 L169 I170	S164-E166 PolarHBondContact O-N 2.87Å; S164-E166 PolarHBondContact OG-N 2.96Å; E166-K168 VanDerWaalsContact C-N 3.3Å; E166-K168 PolarHBondContact O-N 3.24Å; E166-L169 WeakPolarHBondContact O-CA 3.37Å; E166-L169 WeakPolarHBondContact O-CB 3.42Å; E166-L169 PolarHBondContact O-N 3.38Å; E166-I170 HydrophobicContact CG-CD1 4.32Å; E166-I170 WeakPolarHBondContact O-CG1 3.16Å; E166-I170 PolarHBondContact O-N 3.03Å
167	E	93.4	Very high	94.4	Very high	101 Å²	101	97.9 Å²	97.9	47%	0.472	48%	0.483	S	S	.	.	H	α-helix	trans	-60.8	-40.4	176.6	-67.1	173.5	137.5	0	0	112	A163 S164 L169 I170 K171	A163-E167 VanDerWaalsContact CA-OE2 3.32Å; A163-E167 WeakPolarHBondContact CA-OE2 3.39Å; A163-E167 HydrophobicContact CB-CB 4.36Å; A163-E167 WeakPolarHBondContact CB-OE2 3.39Å; S164-E167 PolarHBondContact N-OE2 3.36Å; S164-E167 PolarHBondContact O-N 3.44Å; S164-E167 WeakPolarHBondContact OG-CG 3.42Å; S164-E167 PolarHBondContact OG-N 3.2Å; S164-E167 VanDerWaalsContact OG-N 3.15Å; E167-L169 VanDerWaalsContact C-N 3.29Å; E167-L169 PolarHBondContact O-N 3.13Å; E167-I170 PolarHBondContact O-N 3.44Å; E167-K171 PolarHBondContact O-N 3.49Å; E167-K171 VanDerWaalsContact O-N 3.12Å
168	K	93.3	Very high	94.4	Very high	104 Å²	104	99.3 Å²	99.3	45%	0.452	49%	0.488	S	S	.	.	H	α-helix	trans	-64.4	-35.2	174.4	-75.1	170.6	173.9	149.2	0	111.7	K161 A163 S164 E166 K172	K161-K168 PolarHBondContact O-NZ 3.06Å; A163-K168 HydrophobicContact CB-CG 4.25Å; A163-K168 VanDerWaalsContact O-CE 3.23Å; A163-K168 WeakPolarHBondContact O-CE 3.34Å; A163-K168 PolarHBondContact O-NZ 3.38Å; S164-K168 WeakPolarHBondContact O-CB 2.79Å; S164-K168 WeakPolarHBondContact O-CG 3.37Å; S164-K168 PolarHBondContact O-N 2.92Å; S164-K168 VanDerWaalsContact O-N 3.1Å; E166-K168 VanDerWaalsContact C-N 3.3Å; E166-K168 PolarHBondContact O-N 3.24Å; K168-K172 VanDerWaalsContact O-CB 3.28Å; K168-K172 WeakPolarHBondContact O-CB 3.35Å; K168-K172 PolarHBondContact O-N 2.83Å
169	L	94.4	Very high	94.4	Very high	90 Å²	90	95.5 Å²	95.5	47%	0.471	47%	0.471	S	S	.	.	H	α-helix	trans	-70.3	-42	176.6	-177.9	61.3	0	0	0	111.6	K165 E166 E167 K172 N173	K165-L169 WeakPolarHBondContact O-CB 3.38Å; K165-L169 PolarHBondContact O-N 3.18Å; E166-L169 WeakPolarHBondContact O-CA 3.37Å; E166-L169 WeakPolarHBondContact O-CB 3.42Å; E166-L169 PolarHBondContact O-N 3.38Å; E167-L169 VanDerWaalsContact C-N 3.29Å; E167-L169 PolarHBondContact O-N 3.13Å; L169-K172 WeakPolarHBondContact O-CB 3.41Å; L169-K172 PolarHBondContact O-N 2.82Å; L169-N173 PolarHBondContact O-N 3.03Å; L169-N173 PolarHBondContact O-ND2 3.48Å; L169-N173 PolarHBondContact O-OD1 3.47Å
170	I	94.7	Very high	94.4	Very high	85 Å²	85	96.6 Å²	96.6	44%	0.436	48%	0.476	S	S	.	.	H	α-helix	trans	-57.5	-54.6	175.5	-68	164.2	0	0	0	110.2	E166 E167 K172 N173 E174	E166-I170 HydrophobicContact CG-CD1 4.32Å; E166-I170 WeakPolarHBondContact O-CG1 3.16Å; E166-I170 PolarHBondContact O-N 3.03Å; E167-I170 PolarHBondContact O-N 3.44Å; I170-K172 PolarHBondContact O-N 2.66Å; I170-N173 PolarHBondContact O-N 3.3Å; I170-E174 WeakPolarHBondContact O-CG 3.41Å; I170-E174 PolarHBondContact O-N 3.49Å
171	K	92.3	Very high	94.5	Very high	103 Å²	103	95.1 Å²	95.1	45%	0.448	48%	0.475	S	S	.	.	H	α-helix	trans	-59.9	-33.6	177.8	-71.6	176.6	-179.7	171.1	0	112.9	E167 N175	E167-K171 PolarHBondContact O-N 3.49Å; E167-K171 VanDerWaalsContact O-N 3.12Å; K171-N175 WeakPolarHBondContact O-CB 3.49Å; K171-N175 PolarHBondContact O-N 2.89Å; K171-N175 VanDerWaalsContact O-N 3.14Å; K171-N175 PolarHBondContact O-ND2 2.91Å
172	K	94.6	Very high	94.7	Very high	117 Å²	117	89.8 Å²	89.8	51%	0.509	45%	0.451	S	S	.	.	H	α-helix	trans	-67.2	-45.3	175.2	-174.3	-174.5	177.9	-155.2	0	111	K168 L169 I170 N175 E176	K168-K172 VanDerWaalsContact O-CB 3.28Å; K168-K172 WeakPolarHBondContact O-CB 3.35Å; K168-K172 PolarHBondContact O-N 2.83Å; L169-K172 WeakPolarHBondContact O-CB 3.41Å; L169-K172 PolarHBondContact O-N 2.82Å; I170-K172 PolarHBondContact O-N 2.66Å; K172-N175 PolarHBondContact O-N 3.33Å; K172-E176 WeakPolarHBondContact CE-OE1 3.28Å; K172-E176 IonicContact NZ-OE1 2.64Å; K172-E176 WeakPolarHBondContact O-CG 3.41Å; K172-E176 PolarHBondContact O-N 3.38Å
173	N	95.4	Very high	94.8	Very high	78 Å²	78	85.7 Å²	85.7	42%	0.417	42%	0.418	S	S	.	.	H	α-helix	trans	-64.6	-40.3	179.2	-67.2	-15.8	0	0	0	111.9	L169 I170 E176 A177	L169-N173 PolarHBondContact O-N 3.03Å; L169-N173 PolarHBondContact O-ND2 3.48Å; L169-N173 PolarHBondContact O-OD1 3.47Å; I170-N173 PolarHBondContact O-N 3.3Å; N173-E176 PolarHBondContact O-N 3.02Å; N173-A177 PolarHBondContact O-N 3.36Å
174	E	93.8	Very high	95	Very high	110 Å²	110	87.6 Å²	87.6	51%	0.514	42%	0.424	S	S	.	.	H	α-helix	trans	-59.3	-46	172.6	-70.1	170.6	170.4	0	0	111.6	I170 E176 A177 L178	I170-E174 WeakPolarHBondContact O-CG 3.41Å; I170-E174 PolarHBondContact O-N 3.49Å; E174-E176 VanDerWaalsContact C-N 3.34Å; E174-E176 PolarHBondContact O-N 3.47Å; E174-A177 PolarHBondContact O-N 2.88Å; E174-L178 PolarHBondContact O-N 3.45Å
175	N	93.6	Very high	95.1	Very high	74 Å²	74	85.2 Å²	85.2	40%	0.396	41%	0.407	S	S	.	.	H	α-helix	trans	-64.2	-37.8	175.8	-83.3	-63.9	0	0	0	112.6	K171 K172 M179 R198	K171-N175 WeakPolarHBondContact O-CB 3.49Å; K171-N175 PolarHBondContact O-N 2.89Å; K171-N175 VanDerWaalsContact O-N 3.14Å; K171-N175 PolarHBondContact O-ND2 2.91Å; K172-N175 PolarHBondContact O-N 3.33Å; N175-M179 WeakPolarHBondContact O-CB 3.41Å; N175-M179 PolarHBondContact O-N 3.44Å; N175-R198 PolarHBondContact OD1-NH2 3.28Å
176	E	94.9	Very high	95.1	Very high	80 Å²	80	79.8 Å²	79.8	37%	0.374	39%	0.386	S	S	.	.	H	α-helix	trans	-67.6	-36.9	175.4	-75.7	-179.3	-171.9	0	0	112	K172 N173 E174 M179 K180	K172-E176 WeakPolarHBondContact CE-OE1 3.28Å; K172-E176 IonicContact NZ-OE1 2.64Å; K172-E176 WeakPolarHBondContact O-CG 3.41Å; K172-E176 PolarHBondContact O-N 3.38Å; N173-E176 PolarHBondContact O-N 3.02Å; E174-E176 VanDerWaalsContact C-N 3.34Å; E174-E176 PolarHBondContact O-N 3.47Å; E176-M179 PolarHBondContact O-N 3.03Å; E176-K180 VanDerWaalsContact O-CG 3.28Å; E176-K180 WeakPolarHBondContact O-CG 3.43Å; E176-K180 PolarHBondContact O-N 3.49Å
177	A	95.8	Very high	95.1	Very high	53 Å²	53	73.4 Å²	73.4	44%	0.438	36%	0.356	S	S	.	.	H	α-helix	trans	-63.2	-49.4	173.8	0	0	0	0	0	111.1	N173 E174 M179 K180 E181	N173-A177 PolarHBondContact O-N 3.36Å; E174-A177 PolarHBondContact O-N 2.88Å; A177-M179 VanDerWaalsContact C-N 3.3Å; A177-M179 PolarHBondContact O-N 3.07Å; A177-K180 PolarHBondContact O-N 3.08Å; A177-K180 VanDerWaalsContact O-N 3.12Å; A177-E181 PolarHBondContact O-N 2.97Å
178	L	94.9	Very high	95	Very high	60 Å²	60	70.4 Å²	70.4	31%	0.314	34%	0.344	S	S	.	.	H	α-helix	trans	-58.3	-41.1	174.7	-73.6	174.2	0	0	0	112.4	E174 E181 F182	E174-L178 PolarHBondContact O-N 3.45Å; L178-E181 PolarHBondContact O-N 2.85Å; L178-F182 HydrophobicContact CD2-CD2 4.24Å; L178-F182 HydrophobicContact CD2-CE2 4.34Å; L178-F182 PolarHBondContact O-N 3.12Å
179	M	95.3	Very high	94.9	Very high	44 Å²	44	68.3 Å²	68.3	22%	0.217	35%	0.351	C	S	.	.	H	α-helix	trans	-65.1	-38.4	177	-178.6	69.4	-141.6	0	0	112	N175 E176 A177 E181 G183 F184 K193 F197	N175-M179 WeakPolarHBondContact O-CB 3.41Å; N175-M179 PolarHBondContact O-N 3.44Å; E176-M179 PolarHBondContact O-N 3.03Å; A177-M179 VanDerWaalsContact C-N 3.3Å; A177-M179 PolarHBondContact O-N 3.07Å; M179-E181 VanDerWaalsContact C-N 3.34Å; M179-G183 VanDerWaalsContact CE-O 3.24Å; M179-G183 WeakPolarHBondContact CE-O 3.47Å; M179-G183 WeakPolarHBondContact O-CA 3.08Å; M179-G183 PolarHBondContact O-N 3.21Å; M179-F184 HydrophobicContact CE-CD2 4.15Å; M179-F184 HydrophobicContact CE-CE2 3.66Å; M179-F184 HydrophobicContact CE-CZ 3.91Å; M179-F184 HydrophobicContact CG-CE2 4.47Å; M179-F184 WeakPolarHBondContact O-CD2 3.45Å; M179-F184 WeakPolarHBondContact O-CE2 3.43Å; M179-K193 HydrophobicContact CE-CD 3.91Å; M179-K193 VanDerWaalsContact CE-CE 3.49Å; M179-K193 HydrophobicContact CE-CG 3.75Å; M179-F197 HydrophobicContact SD-CD1 4.5Å; M179-F197 HydrophobicContact SD-CE1 3.65Å; M179-F197 HydrophobicContact SD-CZ 4.3Å
180	K	95.1	Very high	94.7	Very high	150 Å²	150	67.3 Å²	67.3	65%	0.652	34%	0.344	S	S	*	.	H	α-helix	trans	-66.7	-37.7	177.3	-75.9	170	-176.4	175	0	112	E176 A177	E176-K180 VanDerWaalsContact O-CG 3.28Å; E176-K180 WeakPolarHBondContact O-CG 3.43Å; E176-K180 PolarHBondContact O-N 3.49Å; A177-K180 PolarHBondContact O-N 3.08Å; A177-K180 VanDerWaalsContact O-N 3.12Å
181	E	95.4	Very high	94.7	Very high	110 Å²	110	68.8 Å²	68.8	51%	0.514	35%	0.347	S	S	.	.	H	α-helix	trans	-82.3	-49.1	-176.4	-173	176.2	179.8	0	0	112.9	K67 A177 L178 M179	K67-E181 WeakPolarHBondContact CG-O 3.31Å; A177-E181 PolarHBondContact O-N 2.97Å; L178-E181 PolarHBondContact O-N 2.85Å; M179-E181 VanDerWaalsContact C-N 3.34Å
182	F	97.3	Very high	94.8	Very high	39 Å²	39	64.5 Å²	64.5	17%	0.171	33%	0.329	C	S	.	.	H	α-helix	trans	-109.3	-12	-172.2	-65.3	-88.5	0	0	0	114.1	K67 V70 L178 F184 F197	K67-F182 HydrophobicContact CB-CD1 3.67Å; K67-F182 HydrophobicContact CB-CE1 3.87Å; K67-F182 HydrophobicContact CB-CG 4.45Å; K67-F182 WeakPolarHBondContact O-CE1 3.35Å; V70-F182 HydrophobicContact CG2-CB 3.62Å; V70-F182 HydrophobicContact CG2-CD1 3.69Å; V70-F182 HydrophobicContact CG2-CD2 3.56Å; V70-F182 HydrophobicContact CG2-CE1 4.22Å; V70-F182 HydrophobicContact CG2-CE2 4.12Å; V70-F182 HydrophobicContact CG2-CG 3.33Å; V70-F182 HydrophobicContact CG2-CZ 4.43Å; L178-F182 HydrophobicContact CD2-CD2 4.24Å; L178-F182 HydrophobicContact CD2-CE2 4.34Å; L178-F182 PolarHBondContact O-N 3.12Å; F182-F184 VanDerWaalsContact C-N 3.26Å; F182-F184 PolarHBondContact O-N 2.99Å; F182-F197 HydrophobicContact CB-CD2 3.55Å; F182-F197 HydrophobicContact CB-CE2 3.96Å; F182-F197 HydrophobicContact CB-CG 4.24Å; F182-F197 WeakPolarHBondContact O-CB 3.42Å
183	G	97.1	Very high	94.9	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	32%	0.324	C	S	.	.	S	Bend	trans	-82.6	1.8	-173.2	0	0	0	0	0	114.8	M179 I194	M179-G183 VanDerWaalsContact CE-O 3.24Å; M179-G183 WeakPolarHBondContact CE-O 3.47Å; M179-G183 WeakPolarHBondContact O-CA 3.08Å; M179-G183 PolarHBondContact O-N 3.21Å; G183-I194 PolarHBondContact O-N 2.88Å
184	F	97.4	Very high	95	Very high	52 Å²	52	59.9 Å²	59.9	23%	0.228	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	152.6	-178.7	-60.8	-92.4	0	0	0	111.4	M179 F182 K191 E192 K193	M179-F184 HydrophobicContact CE-CD2 4.15Å; M179-F184 HydrophobicContact CE-CE2 3.66Å; M179-F184 HydrophobicContact CE-CZ 3.91Å; M179-F184 HydrophobicContact CG-CE2 4.47Å; M179-F184 WeakPolarHBondContact O-CD2 3.45Å; M179-F184 WeakPolarHBondContact O-CE2 3.43Å; F182-F184 VanDerWaalsContact C-N 3.26Å; F182-F184 PolarHBondContact O-N 2.99Å; F184-K191 HydrophobicContact CB-CG 4.11Å; F184-K191 HydrophobicContact CD1-CD 4.48Å; F184-K191 HydrophobicContact CD1-CG 4.11Å; F184-K191 HydrophobicContact CG-CG 4.36Å; F184-E192 CarbonylContact C-O 3.57Å; F184-E192 WeakPolarHBondContact CA-O 3.44Å; F184-K193 HydrophobicContact CD1-CB 4.15Å; F184-K193 HydrophobicContact CE1-CB 4.03Å; F184-K193 HydrophobicContact CE1-CG 4.37Å
185	C	97.3	Very high	95	Very high	3 Å²	3	56.5 Å²	56.5	2%	0.02	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	162	167.3	62.5	0	0	0	0	109.7	E65 H66 K191 E192 I194 L257 L273	E65-C185 CarbonylContact O-C 3.54Å; E65-C185 VanDerWaalsContact O-CA 3.29Å; E65-C185 WeakPolarHBondContact O-CA 3.46Å; E65-C185 VanDerWaalsContact O-CB 3.24Å; E65-C185 WeakPolarHBondContact O-CB 3.39Å; H66-C185 HydrophobicContact CB-CB 3.75Å; C185-K191 WeakPolarHBondContact O-CA 3.37Å; C185-E192 PolarHBondContact N-O 2.73Å; C185-E192 PolarHBondContact O-N 3.49Å; C185-I194 HydrophobicContact CB-CD1 4.12Å; C185-I194 HydrophobicContact CB-CG1 4.26Å; C185-L257 HydrophobicContact CB-CD2 3.96Å; C185-L273 WeakPolarHBondContact SG-CD2 3.45Å
186	M	96.6	Very high	95	Very high	80 Å²	80	56.6 Å²	56.6	39%	0.394	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	122.8	164.7	-62	-58.4	-62	0	0	108	L64 E65 G189 H190 K191	L64-M186 CarbonylContact C-O 3.6Å; L64-M186 WeakPolarHBondContact CA-O 3.45Å; E65-M186 HydrophobicContact CB-CB 4.35Å; E65-M186 PolarHBondContact N-O 2.69Å; E65-M186 PolarHBondContact O-N 3.44Å; M186-G189 WeakPolarHBondContact CE-O 3.34Å; M186-H190 CarbonylContact C-O 3.33Å; M186-H190 WeakPolarHBondContact CA-O 3.42Å; M186-K191 HydrophobicContact CE-CB 4.37Å; M186-K191 HydrophobicContact SD-CB 3.64Å; M186-K191 HydrophobicContact SD-CG 3.99Å
187	I	94.4	Very high	95.1	Very high	9 Å²	9	53.5 Å²	53.5	5%	0.046	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	120.7	177.8	-170.9	170.8	0	0	0	108.5	W61 T63 L64 G189 H190 E192 L273 L279	W61-I187 HydrophobicContact CB-CD1 3.89Å; W61-I187 HydrophobicContact CB-CG1 3.75Å; W61-I187 HydrophobicContact CG-CD1 4.3Å; W61-I187 HydrophobicContact CG-CG1 4.46Å; T63-I187 WeakPolarHBondContact O-CA 3.37Å; L64-I187 HydrophobicContact CD1-CB 4.18Å; L64-I187 HydrophobicContact CD1-CD1 4.27Å; L64-I187 HydrophobicContact CD1-CG1 4.22Å; I187-G189 PolarHBondContact O-N 2.86Å; I187-H190 PolarHBondContact N-O 2.87Å; I187-H190 WeakPolarHBondContact O-CB 3.39Å; I187-H190 PolarHBondContact O-N 3.39Å; I187-E192 HydrophobicContact CG2-CB 4.04Å; I187-E192 HydrophobicContact CG2-CG 3.73Å; I187-L273 HydrophobicContact CD1-CD1 3.93Å; I187-L279 HydrophobicContact CD1-CD1 3.6Å; I187-L279 HydrophobicContact CD1-CG 4.39Å
188	D	92.3	Very high	95.1	Very high	38 Å²	38	55.5 Å²	55.5	20%	0.203	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	42.6	-177.8	-65	-17.4	0	0	0	114.1	R55 S62 T63 H190	R55-D188 IonicContact CZ-OD2 3.47Å; R55-D188 IonicContact NH1-OD2 3.79Å; R55-D188 PolarHBondContact NH1-OD2 3Å; R55-D188 IonicContact NH2-OD2 2.67Å; R55-D188 PolarHBondContact NH2-OD2 3.16Å; S62-D188 WeakPolarHBondContact CA-OD1 3.3Å; S62-D188 WeakPolarHBondContact CB-OD1 3.49Å; S62-D188 PolarHBondContact N-OD1 2.97Å; T63-D188 PolarHBondContact N-OD1 2.85Å; T63-D188 PolarHBondContact O-N 3Å; T63-D188 VanDerWaalsContact OG1-CA 3.32Å; T63-D188 WeakPolarHBondContact OG1-CA 3.37Å; T63-D188 PolarHBondContact OG1-N 2.92Å; D188-H190 PolarHBondContact O-CD2 2.91Å; D188-H190 VanDerWaalsContact O-CD2 3.26Å; D188-H190 PolarHBondContact O-N 2.66Å
189	G	89.4	Confident	95.2	Very high	59 Å²	59	53 Å²	53	61%	0.608	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	81	-7.1	-178.5	0	0	0	0	0	114.9	M186 I187	M186-G189 WeakPolarHBondContact CE-O 3.34Å; I187-G189 PolarHBondContact O-N 2.86Å
190	H	91.3	Very high	95.2	Very high	69 Å²	69	54.5 Å²	54.5	32%	0.319	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	136.3	-178.3	-65.4	-70.8	0	0	0	113	I47 M186 I187 D188 E192	I47-H190 HydrophobicContact CD1-CB 3.6Å; M186-H190 CarbonylContact C-O 3.33Å; M186-H190 WeakPolarHBondContact CA-O 3.42Å; I187-H190 PolarHBondContact N-O 2.87Å; I187-H190 WeakPolarHBondContact O-CB 3.39Å; I187-H190 PolarHBondContact O-N 3.39Å; D188-H190 PolarHBondContact O-CD2 2.91Å; D188-H190 VanDerWaalsContact O-CD2 3.26Å; D188-H190 PolarHBondContact O-N 2.66Å; H190-E192 HydrophobicContact CB-CG 4.49Å; H190-E192 PolarHBondContact O-N 3.06Å
191	K	94.7	Very high	95.3	Very high	117 Å²	117	51.3 Å²	51.3	51%	0.509	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	109.2	172.4	-171.6	177.6	-178.3	178.2	0	110.3	F184 C185 M186	F184-K191 HydrophobicContact CB-CG 4.11Å; F184-K191 HydrophobicContact CD1-CD 4.48Å; F184-K191 HydrophobicContact CD1-CG 4.11Å; F184-K191 HydrophobicContact CG-CG 4.36Å; C185-K191 WeakPolarHBondContact O-CA 3.37Å; M186-K191 HydrophobicContact CE-CB 4.37Å; M186-K191 HydrophobicContact SD-CB 3.64Å; M186-K191 HydrophobicContact SD-CG 3.99Å
192	E	95.1	Very high	95.4	Very high	13 Å²	13	47 Å²	47	6%	0.061	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	147.4	-179	-70.5	-154.8	167.5	0	0	113.2	I47 F184 C185 I187 H190 S277 K278	I47-E192 HydrophobicContact CD1-CG 4.47Å; F184-E192 CarbonylContact C-O 3.57Å; F184-E192 WeakPolarHBondContact CA-O 3.44Å; C185-E192 PolarHBondContact N-O 2.73Å; C185-E192 PolarHBondContact O-N 3.49Å; I187-E192 HydrophobicContact CG2-CB 4.04Å; I187-E192 HydrophobicContact CG2-CG 3.73Å; H190-E192 HydrophobicContact CB-CG 4.49Å; H190-E192 PolarHBondContact O-N 3.06Å; E192-S277 WeakPolarHBondContact OE2-CA 3.35Å; E192-S277 WeakPolarHBondContact OE2-CB 3.37Å; E192-K278 WeakPolarHBondContact OE1-CB 3.28Å; E192-K278 PolarHBondContact OE1-N 2.96Å
193	K	95.9	Very high	95.4	Very high	93 Å²	93	45.7 Å²	45.7	40%	0.404	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	136.6	180	-174.6	170.3	173.1	168.7	0	110.9	M179 F184 N274	M179-K193 HydrophobicContact CE-CD 3.91Å; M179-K193 VanDerWaalsContact CE-CE 3.49Å; M179-K193 HydrophobicContact CE-CG 3.75Å; F184-K193 HydrophobicContact CD1-CB 4.15Å; F184-K193 HydrophobicContact CE1-CB 4.03Å; F184-K193 HydrophobicContact CE1-CG 4.37Å; K193-N274 HydrophobicContact CB-CB 3.91Å; K193-N274 HydrophobicContact CD-CB 4.46Å; K193-N274 HydrophobicContact CG-CB 3.98Å; K193-N274 WeakPolarHBondContact O-CB 3.38Å; K193-N274 PolarHBondContact O-N 3.4Å
194	I	97.5	Very high	95.5	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.021	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-84.1	139	172.5	-58.9	175.8	0	0	0	109.4	H66 G183 C185 F197 L257 I271	H66-I194 HydrophobicContact CB-CD1 4.43Å; G183-I194 PolarHBondContact O-N 2.88Å; C185-I194 HydrophobicContact CB-CD1 4.12Å; C185-I194 HydrophobicContact CB-CG1 4.26Å; I194-F197 HydrophobicContact CB-CB 4.39Å; I194-F197 HydrophobicContact CG2-CB 3.96Å; I194-L257 HydrophobicContact CD1-CD2 3.6Å; I194-L257 HydrophobicContact CG1-CD2 3.83Å; I194-I271 HydrophobicContact CG2-CG2 3.48Å; I194-I271 VanDerWaalsContact CG2-CG2 3.48Å
195	G	94.1	Very high	95.5	Very high	39 Å²	39	45.2 Å²	45.2	40%	0.402	25%	0.247	S	C	.	.	S	Bend	trans	-68.5	-57.6	-176.9	0	0	0	0	0	112.6	M272	G195-M272 WeakPolarHBondContact CA-O 3.27Å; G195-M272 PolarHBondContact N-O 3.46Å
196	N	93.3	Very high	95.4	Very high	77 Å²	77	50.2 Å²	50.2	41%	0.412	27%	0.265	S	S	.	.			trans	-136.7	102.8	172.5	178.8	35.5	0	0	0	110	R198 I271	N196-R198 PolarHBondContact ND2-O 3.25Å; N196-R198 PolarHBondContact OD1-N 2.73Å; N196-R198 PolarHBondContact OD1-O 2.99Å; N196-I271 WeakPolarHBondContact O-CG1 3.45Å; N196-I271 VanDerWaalsContact O-CG2 3.27Å; N196-I271 WeakPolarHBondContact O-CG2 3.3Å
197	F	96.6	Very high	95.2	Very high	15 Å²	15	47.2 Å²	47.2	7%	0.066	26%	0.256	C	S	.	.			trans	-90.2	-4.2	179.4	64.1	-88.4	0	0	0	113.2	P69 V70 M179 F182 I194	P69-F197 CarbonylContact C-O 3.49Å; P69-F197 WeakPolarHBondContact CA-O 3.32Å; V70-F197 HydrophobicContact CB-CD2 4.17Å; V70-F197 HydrophobicContact CB-CE2 4.45Å; V70-F197 HydrophobicContact CG2-CD2 3.68Å; V70-F197 HydrophobicContact CG2-CE2 3.91Å; V70-F197 PolarHBondContact N-O 2.81Å; M179-F197 HydrophobicContact SD-CD1 4.5Å; M179-F197 HydrophobicContact SD-CE1 3.65Å; M179-F197 HydrophobicContact SD-CZ 4.3Å; F182-F197 HydrophobicContact CB-CD2 3.55Å; F182-F197 HydrophobicContact CB-CE2 3.96Å; F182-F197 HydrophobicContact CB-CG 4.24Å; F182-F197 WeakPolarHBondContact O-CB 3.42Å; I194-F197 HydrophobicContact CB-CB 4.39Å; I194-F197 HydrophobicContact CG2-CB 3.96Å
198	R	97.1	Very high	95.1	Very high	95 Å²	95	53.4 Å²	53.4	36%	0.358	28%	0.278	S	S	.	.	B	Isolated β-bridge	trans	-99.2	131.6	-179.9	-64.1	177.8	178.9	151.1	-5.7	110.2	V70 N175 N196	V70-R198 HydrophobicContact CB-CG 4.2Å; V70-R198 HydrophobicContact CG1-CG 4.46Å; V70-R198 WeakPolarHBondContact O-CA 3.19Å; N175-R198 PolarHBondContact OD1-NH2 3.28Å; N196-R198 PolarHBondContact ND2-O 3.25Å; N196-R198 PolarHBondContact OD1-N 2.73Å; N196-R198 PolarHBondContact OD1-O 2.99Å
199	L	96.9	Very high	95	Very high	8 Å²	8	53 Å²	53	4%	0.042	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-67.2	147.6	171.6	-66.7	170.5	0	0	0	110.1	P69 V70 F71 I221 V226 W260	P69-L199 HydrophobicContact CB-CD1 4.03Å; P69-L199 HydrophobicContact CB-CD2 4.13Å; P69-L199 HydrophobicContact CB-CG 3.82Å; P69-L199 HydrophobicContact CG-CD1 4.15Å; P69-L199 HydrophobicContact CG-CG 4.44Å; V70-L199 PolarHBondContact O-N 2.86Å; F71-L199 HydrophobicContact CD1-CD1 3.48Å; F71-L199 VanDerWaalsContact CD1-CD1 3.48Å; F71-L199 HydrophobicContact CE1-CD1 3.51Å; F71-L199 HydrophobicContact CG-CD1 4.03Å; F71-L199 HydrophobicContact CZ-CD1 4.1Å; L199-I221 HydrophobicContact CD1-CB 4.31Å; L199-I221 HydrophobicContact CD1-CG2 4.02Å; L199-I221 HydrophobicContact CD2-CG2 4.43Å; L199-V226 HydrophobicContact CD1-CG2 4.13Å; L199-V226 HydrophobicContact CD2-CG2 4.49Å; L199-W260 HydrophobicContact CD2-CD2 4.02Å; L199-W260 HydrophobicContact CD2-CE3 3.62Å; L199-W260 HydrophobicContact CD2-CH2 3.86Å; L199-W260 HydrophobicContact CD2-CZ2 4.21Å; L199-W260 HydrophobicContact CD2-CZ3 3.56Å
200	E	94.6	Very high	95.1	Very high	75 Å²	75	56.6 Å²	56.6	35%	0.35	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-63.3	131.4	177	-66.7	-174.3	-165.3	0	0	109.8	K218 W260	E200-K218 IonicContact OE2-NZ 2.67Å; E200-W260 HydrophobicContact CG-CZ2 4.36Å
201	P	96.6	Very high	95.3	Very high	83 Å²	83	54 Å²	54	54%	0.539	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-69	155.3	174.1	29.6	-34.5	0	0	0	110.9	A72	A72-P201 HydrophobicContact CB-CB 4Å
202	P	97.7	Very high	95.4	Very high	19 Å²	19	50.9 Å²	50.9	12%	0.123	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-62.5	157	171.9	30.8	-36.7	0	0	0	111.1	F103 K218 R220	F103-P202 HydrophobicContact CE1-CB 4.4Å; F103-P202 HydrophobicContact CE1-CG 4.34Å; F103-P202 HydrophobicContact CE2-CB 4.28Å; F103-P202 HydrophobicContact CZ-CB 3.67Å; F103-P202 HydrophobicContact CZ-CG 3.9Å; P202-K218 VanDerWaalsContact CA-O 3.23Å; P202-K218 WeakPolarHBondContact CA-O 3.17Å; P202-K218 WeakPolarHBondContact CB-O 3.21Å; P202-R220 HydrophobicContact CB-CB 4.21Å; P202-R220 HydrophobicContact CG-CB 4.17Å
203	G	97.9	Very high	95.4	Very high	11 Å²	11	52.2 Å²	52.2	11%	0.113	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.3	-166.9	-179.2	0	0	0	0	0	112.3	K218	G203-K218 PolarHBondContact N-O 2.92Å; G203-K218 VanDerWaalsContact N-O 3.15Å; G203-K218 WeakPolarHBondContact O-CA 3.33Å; G203-K218 WeakPolarHBondContact O-CB 3.44Å; G203-K218 PolarHBondContact O-N 3.41Å
204	L	98.2	Very high	95.5	Very high	13 Å²	13	47.8 Å²	47.8	7%	0.068	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	135.2	177.9	-53.9	-175.9	0	0	0	111.6	F103 Y104 M107 F118 F122 I217	F103-L204 HydrophobicContact CB-CD1 4.37Å; F103-L204 HydrophobicContact CB-CD2 3.83Å; F103-L204 HydrophobicContact CB-CG 3.75Å; F103-L204 HydrophobicContact CD2-CD2 4.33Å; Y104-L204 HydrophobicContact CD2-CD1 4.17Å; M107-L204 HydrophobicContact SD-CB 4.35Å; M107-L204 HydrophobicContact SD-CD1 4.3Å; F118-L204 HydrophobicContact CE1-CD1 3.74Å; F118-L204 HydrophobicContact CE2-CB 4.48Å; F118-L204 HydrophobicContact CZ-CB 4.02Å; F118-L204 HydrophobicContact CZ-CD1 3.49Å; F118-L204 VanDerWaalsContact CZ-CD1 3.49Å; F118-L204 HydrophobicContact CZ-CG 4.37Å; F122-L204 HydrophobicContact CD2-CD1 4.06Å; F122-L204 HydrophobicContact CD2-CD2 3.6Å; F122-L204 HydrophobicContact CE2-CD2 4.08Å; L204-I217 HydrophobicContact CD2-CG1 3.85Å
205	F	97.6	Very high	95.5	Very high	29 Å²	29	47.6 Å²	47.6	13%	0.127	25%	0.249	C	C	.	.			trans	-72.2	125.3	167.6	178.9	-97.7	0	0	0	108.9	H211 K213 M214 G215 M216 K218 V264 Q265	F205-H211 AromaticContact CE1-CD2 3.88Å; F205-H211 AromaticContact CE1-CE1 3.72Å; F205-H211 AromaticContact CE1-CG 3.85Å; F205-H211 AromaticContact CE1-ND1 3.73Å; F205-H211 AromaticContact CE1-NE2 3.77Å; F205-H211 AromaticContact CZ-CD2 3.88Å; F205-H211 AromaticContact CZ-CE1 3.99Å; F205-H211 AromaticContact CZ-NE2 3.62Å; F205-K213 HydrophobicContact CD1-CB 4.23Å; F205-K213 WeakPolarHBondContact CD1-O 3.41Å; F205-K213 HydrophobicContact CE1-CB 4.18Å; F205-M214 CarbonylContact O-C 3.49Å; F205-M214 WeakPolarHBondContact O-CA 3.39Å; F205-G215 PolarHBondContact O-N 2.92Å; F205-M216 WeakPolarHBondContact CB-O 3.13Å; F205-M216 PolarHBondContact N-O 3.19Å; F205-K218 HydrophobicContact CB-CD 4.33Å; F205-K218 HydrophobicContact CB-CG 3.93Å; F205-V264 HydrophobicContact CB-CG1 4.08Å; F205-V264 HydrophobicContact CB-CG2 4.08Å; F205-V264 HydrophobicContact CD1-CG1 3.92Å; F205-V264 HydrophobicContact CD2-CB 4.47Å; F205-V264 HydrophobicContact CD2-CG1 4.14Å; F205-V264 HydrophobicContact CE1-CG1 4.4Å; F205-V264 HydrophobicContact CG-CB 4.43Å; F205-V264 HydrophobicContact CG-CG1 3.77Å; F205-V264 HydrophobicContact CG-CG2 4.48Å; F205-Q265 VanDerWaalsContact CE2-NE2 3.27Å
206	R	95	Very high	95.7	Very high	108 Å²	108	47.6 Å²	47.6	41%	0.408	24%	0.238	S	C	.	.			trans	-96.7	-32	-177.8	-65.2	-177	-176.4	-175.7	-1.6	112.9	M107 Y112 M214	M107-R206 HydrophobicContact CE-CG 4.13Å; M107-R206 VanDerWaalsContact CE-NE 3.31Å; M107-R206 PolarHBondContact SD-NE 3.32Å; M107-R206 VanDerWaalsContact SD-NE 3.44Å; M107-R206 PolarHBondContact SD-NH2 3.14Å; Y112-R206 HydrophobicContact CD2-CB 4.45Å; Y112-R206 HydrophobicContact CD2-CG 4.27Å; Y112-R206 HydrophobicContact CE1-CB 4.18Å; Y112-R206 WeakPolarHBondContact CE1-O 3.41Å; Y112-R206 HydrophobicContact CE2-CB 3.94Å; Y112-R206 HydrophobicContact CE2-CG 4.14Å; R206-M214 VanDerWaalsContact O-CB 3.27Å; R206-M214 WeakPolarHBondContact O-CB 3.4Å
207	G	92.9	Very high	96	Very high	18 Å²	18	45 Å²	45	19%	0.186	22%	0.224	C	C	.	.			trans	61	-167.4	-167.8	0	0	0	0	0	112.4	Y112	Y112-G207 PolarHBondContact OH-O 3.22Å
208	R	92.1	Very high	96	Very high	139 Å²	139	47 Å²	47	53%	0.525	23%	0.233	S	C	.	.	S	Bend	trans	-135.2	150.2	168	-63.8	-169.7	-175.4	-170.4	12.9	107.9	D376	R208-D376 IonicContact CZ-OD1 3.67Å; R208-D376 IonicContact CZ-OD2 3.9Å; R208-D376 IonicContact NE-OD1 3.78Å; R208-D376 VanDerWaalsContact NH1-CB 3.3Å; R208-D376 IonicContact NH1-OD1 2.75Å; R208-D376 PolarHBondContact NH1-OD1 3.08Å; R208-D376 IonicContact NH1-OD2 2.73Å; R208-D376 PolarHBondContact NH1-OD2 2.85Å
209	G	90.8	Very high	96	Very high	28 Å²	28	48.3 Å²	48.3	29%	0.289	24%	0.238	S	C	.	.	S	Bend	trans	60.2	-145.6	-173	0	0	0	0	0	112.5	H211 M214 S377	G209-H211 VanDerWaalsContact C-N 3.26Å; G209-H211 PolarHBondContact O-N 3.27Å; G209-H211 VanDerWaalsContact O-N 3.16Å; G209-M214 WeakPolarHBondContact O-CE 3.39Å; G209-S377 WeakPolarHBondContact CA-OG 3.42Å
210	E	91.5	Very high	96	Very high	136 Å²	136	50.6 Å²	50.6	64%	0.636	25%	0.246	S	C	*	.	S	Bend	trans	-87.5	58.4	176	-58.5	-45.8	130.8	0	0	111.7	K115	K115-E210 IonicContact NZ-OE1 2.72Å; K115-E210 PolarHBondContact NZ-OE1 2.71Å; K115-E210 IonicContact NZ-OE2 3.4Å; K115-E210 PolarHBondContact NZ-OE2 3.37Å
211	H	95.1	Very high	96.1	Very high	14 Å²	14	47.7 Å²	47.7	7%	0.065	23%	0.233	C	C	.	.			trans	-70.8	123.5	179.4	-162.7	-49.9	0	0	0	111.5	F205 G209 K213 M214 D340 A342	F205-H211 AromaticContact CE1-CD2 3.88Å; F205-H211 AromaticContact CE1-CE1 3.72Å; F205-H211 AromaticContact CE1-CG 3.85Å; F205-H211 AromaticContact CE1-ND1 3.73Å; F205-H211 AromaticContact CE1-NE2 3.77Å; F205-H211 AromaticContact CZ-CD2 3.88Å; F205-H211 AromaticContact CZ-CE1 3.99Å; F205-H211 AromaticContact CZ-NE2 3.62Å; G209-H211 VanDerWaalsContact C-N 3.26Å; G209-H211 PolarHBondContact O-N 3.27Å; G209-H211 VanDerWaalsContact O-N 3.16Å; H211-K213 VanDerWaalsContact C-N 3.27Å; H211-K213 PolarHBondContact ND1-N 3.15Å; H211-K213 PolarHBondContact O-N 2.92Å; H211-K213 VanDerWaalsContact O-N 3.16Å; H211-M214 HydrophobicContact CB-CE 4.39Å; H211-M214 WeakPolarHBondContact O-CB 3.39Å; H211-M214 WeakPolarHBondContact O-CE 3.26Å; H211-M214 WeakPolarHBondContact O-CG 3.4Å; H211-M214 PolarHBondContact O-N 3.2Å; H211-D340 PolarHBondContact CE1-O 2.96Å; H211-A342 HydrophobicContact CB-CB 4.22Å
212	P	95.9	Very high	96.1	Very high	51 Å²	51	48.5 Å²	48.5	33%	0.331	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-26.2	-172.1	24.1	-35.4	0	0	0	114.1	V117 N121 D340 Q341	V117-P212 VanDerWaalsContact CG1-O 3.28Å; V117-P212 WeakPolarHBondContact CG1-O 3.28Å; N121-P212 PolarHBondContact ND2-O 2.97Å; P212-D340 VanDerWaalsContact CG-C 3.46Å; P212-D340 WeakPolarHBondContact CG-O 3.39Å; P212-Q341 WeakPolarHBondContact CD-O 3.32Å
213	K	96.8	Very high	96.1	Very high	41 Å²	41	47.7 Å²	47.7	18%	0.178	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	3	176.3	-63.7	-175.1	167.2	172.9	0	115.8	F205 H211 G215 M216 V264 D340	F205-K213 HydrophobicContact CD1-CB 4.23Å; F205-K213 WeakPolarHBondContact CD1-O 3.41Å; F205-K213 HydrophobicContact CE1-CB 4.18Å; H211-K213 VanDerWaalsContact C-N 3.27Å; H211-K213 PolarHBondContact ND1-N 3.15Å; H211-K213 PolarHBondContact O-N 2.92Å; H211-K213 VanDerWaalsContact O-N 3.16Å; K213-G215 PolarHBondContact O-N 3.17Å; K213-M216 HydrophobicContact CB-CG 4.42Å; K213-M216 HydrophobicContact CB-SD 3.71Å; K213-M216 HydrophobicContact CD-SD 4.16Å; K213-M216 HydrophobicContact CG-SD 3.79Å; K213-M216 WeakPolarHBondContact O-CB 3.4Å; K213-M216 VanDerWaalsContact O-CG 3.29Å; K213-M216 WeakPolarHBondContact O-CG 3.48Å; K213-M216 PolarHBondContact O-N 3.34Å; K213-V264 HydrophobicContact CB-CG1 3.89Å; K213-V264 HydrophobicContact CD-CG1 3.94Å; K213-V264 VanDerWaalsContact CD-O 3.29Å; K213-V264 WeakPolarHBondContact CD-O 3Å; K213-V264 WeakPolarHBondContact CE-O 3.42Å; K213-V264 PolarHBondContact NZ-O 3.16Å; K213-D340 WeakPolarHBondContact CE-OD2 3.35Å; K213-D340 IonicContact NZ-OD2 3.96Å; K213-D340 PolarHBondContact NZ-OD2 2.96Å
214	M	97.3	Very high	96.1	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	142.5	177.7	73.4	175.1	78.3	0	0	110.8	Y112 K115 V117 F118 N121 F205 R206 G209 H211 M216	Y112-M214 HydrophobicContact CD1-SD 4.09Å; Y112-M214 HydrophobicContact CE1-SD 4.37Å; K115-M214 HydrophobicContact CB-SD 4.29Å; K115-M214 HydrophobicContact CD-CE 4.13Å; K115-M214 HydrophobicContact CD-SD 3.46Å; K115-M214 WeakPolarHBondContact CD-SD 3.27Å; V117-M214 HydrophobicContact CB-CG 4.44Å; V117-M214 HydrophobicContact CG1-CG 4.06Å; F118-M214 WeakPolarHBondContact CA-O 3.3Å; F118-M214 HydrophobicContact CB-CG 3.93Å; F118-M214 HydrophobicContact CB-SD 4.07Å; F118-M214 HydrophobicContact CD2-CB 3.98Å; F118-M214 HydrophobicContact CD2-CG 4.01Å; F118-M214 HydrophobicContact CD2-SD 4.4Å; F118-M214 HydrophobicContact CG-CG 4.48Å; N121-M214 WeakPolarHBondContact CB-O 3.29Å; N121-M214 PolarHBondContact ND2-O 3.13Å; F205-M214 CarbonylContact O-C 3.49Å; F205-M214 WeakPolarHBondContact O-CA 3.39Å; R206-M214 VanDerWaalsContact O-CB 3.27Å; R206-M214 WeakPolarHBondContact O-CB 3.4Å; G209-M214 WeakPolarHBondContact O-CE 3.39Å; H211-M214 HydrophobicContact CB-CE 4.39Å; H211-M214 WeakPolarHBondContact O-CB 3.39Å; H211-M214 WeakPolarHBondContact O-CE 3.26Å; H211-M214 WeakPolarHBondContact O-CG 3.4Å; H211-M214 PolarHBondContact O-N 3.2Å; M214-M216 VanDerWaalsContact C-N 3.34Å
215	G	97.7	Very high	96.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.5	-19.1	-176.9	0	0	0	0	0	114.8	F118 F122 F205 K213	F118-G215 VanDerWaalsContact CE2-CA 3.47Å; F118-G215 WeakPolarHBondContact O-CA 3.09Å; F122-G215 VanDerWaalsContact CA-O 3.24Å; F122-G215 WeakPolarHBondContact CA-O 3.2Å; F122-G215 PolarHBondContact N-O 2.87Å; F205-G215 PolarHBondContact O-N 2.92Å; K213-G215 PolarHBondContact O-N 3.17Å
216	M	98.4	Very high	96.2	Very high	38 Å²	38	49.7 Å²	49.7	19%	0.187	24%	0.239	C	C	.	.			trans	-60.7	147.1	176.6	-69.1	-174.5	73.7	0	0	112.3	N121 D125 F205 K213 M214 K218 V264	N121-M216 HydrophobicContact CB-CG 3.94Å; D125-M216 WeakPolarHBondContact OD2-CA 3.46Å; D125-M216 WeakPolarHBondContact OD2-CB 3.19Å; F205-M216 WeakPolarHBondContact CB-O 3.13Å; F205-M216 PolarHBondContact N-O 3.19Å; K213-M216 HydrophobicContact CB-CG 4.42Å; K213-M216 HydrophobicContact CB-SD 3.71Å; K213-M216 HydrophobicContact CD-SD 4.16Å; K213-M216 HydrophobicContact CG-SD 3.79Å; K213-M216 WeakPolarHBondContact O-CB 3.4Å; K213-M216 VanDerWaalsContact O-CG 3.29Å; K213-M216 WeakPolarHBondContact O-CG 3.48Å; K213-M216 PolarHBondContact O-N 3.34Å; M214-M216 VanDerWaalsContact C-N 3.34Å; M216-K218 PolarHBondContact O-N 3.02Å; M216-V264 HydrophobicContact CB-CG1 4.22Å; M216-V264 HydrophobicContact CB-CG2 4.35Å; M216-V264 HydrophobicContact SD-CG1 4.13Å
217	I	98.4	Very high	96.3	Very high	23 Å²	23	44.8 Å²	44.8	12%	0.118	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	120.9	-179.4	-64.8	178.7	0	0	0	109.8	A100 F103 D125 L204 R219 N263	A100-I217 HydrophobicContact CB-CD1 3.94Å; F103-I217 HydrophobicContact CD2-CG2 4.4Å; F103-I217 HydrophobicContact CE2-CG2 4.11Å; D125-I217 HydrophobicContact CB-CB 4.01Å; D125-I217 HydrophobicContact CB-CD1 3.85Å; D125-I217 HydrophobicContact CB-CG1 3.73Å; D125-I217 PolarHBondContact OD2-N 3.36Å; L204-I217 HydrophobicContact CD2-CG1 3.85Å; I217-R219 PolarHBondContact O-N 3.29Å; I217-N263 PolarHBondContact O-ND2 3.19Å
218	K	98	Very high	96.6	Very high	56 Å²	56	43.9 Å²	43.9	24%	0.243	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	115	163.4	-58.4	-173	-64.7	156.1	0	108.3	E200 P202 G203 F205 M216 N263 V264	E200-K218 IonicContact OE2-NZ 2.67Å; P202-K218 VanDerWaalsContact CA-O 3.23Å; P202-K218 WeakPolarHBondContact CA-O 3.17Å; P202-K218 WeakPolarHBondContact CB-O 3.21Å; G203-K218 PolarHBondContact N-O 2.92Å; G203-K218 VanDerWaalsContact N-O 3.15Å; G203-K218 WeakPolarHBondContact O-CA 3.33Å; G203-K218 WeakPolarHBondContact O-CB 3.44Å; G203-K218 PolarHBondContact O-N 3.41Å; F205-K218 HydrophobicContact CB-CD 4.33Å; F205-K218 HydrophobicContact CB-CG 3.93Å; M216-K218 PolarHBondContact O-N 3.02Å; K218-N263 WeakPolarHBondContact CA-OD1 3.47Å; K218-V264 HydrophobicContact CG-CG2 4.03Å
219	R	96	Very high	96.9	Very high	124 Å²	124	37.3 Å²	37.3	47%	0.468	19%	0.187	S	C	.	.	P	Polyproline II helix	trans	-73.1	157.9	-176.1	77.2	-174.6	-172.9	-172.7	4.6	111.8	I217 I221 D225 N263	I217-R219 PolarHBondContact O-N 3.29Å; R219-I221 PolarHBondContact O-N 3.39Å; R219-D225 IonicContact CZ-OD1 3.63Å; R219-D225 IonicContact NH2-OD1 2.92Å; R219-D225 PolarHBondContact NH2-OD1 3.02Å; R219-N263 HydrophobicContact CG-CB 4.05Å; R219-N263 PolarHBondContact N-OD1 3.12Å
220	R	96.9	Very high	97.3	Very high	55 Å²	55	36 Å²	36	21%	0.208	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-66.6	128.3	171.2	179.8	172.9	-69.4	-85.4	2.6	109.4	A72 P73 E99 P202	A72-R220 PolarHBondContact O-NH1 3.38Å; A72-R220 VanDerWaalsContact O-NH1 3.07Å; P73-R220 VanDerWaalsContact O-CZ 3.32Å; P73-R220 PolarHBondContact O-NH1 3.14Å; P73-R220 PolarHBondContact O-NH2 3.33Å; E99-R220 IonicContact OE1-CZ 3.2Å; E99-R220 IonicContact OE1-NE 2.78Å; E99-R220 IonicContact OE1-NH2 2.78Å; E99-R220 PolarHBondContact OE1-NH2 3.12Å; P202-R220 HydrophobicContact CB-CB 4.21Å; P202-R220 HydrophobicContact CG-CB 4.17Å
221	I	97.8	Very high	97.5	Very high	14 Å²	14	29.7 Å²	29.7	7%	0.072	15%	0.145	C	C	.	.	P	Polyproline II helix	trans	-77	124.1	176.8	-52.8	-53	0	0	0	109.2	F71 L199 R219 D225 V226 W260	F71-I221 WeakPolarHBondContact CD1-O 3.27Å; L199-I221 HydrophobicContact CD1-CB 4.31Å; L199-I221 HydrophobicContact CD1-CG2 4.02Å; L199-I221 HydrophobicContact CD2-CG2 4.43Å; R219-I221 PolarHBondContact O-N 3.39Å; I221-D225 HydrophobicContact CG2-CB 3.99Å; I221-V226 HydrophobicContact CG2-CG2 3.68Å; I221-W260 VanDerWaalsContact CD1-CD1 3.46Å; I221-W260 HydrophobicContact CD1-CG 4.39Å; I221-W260 HydrophobicContact CG2-CB 4.34Å; I221-W260 HydrophobicContact CG2-CG 4.17Å
222	Q	96.9	Very high	97.5	Very high	100 Å²	100	36.5 Å²	36.5	47%	0.467	18%	0.175	S	C	.	.	P	Polyproline II helix	trans	-98.3	163.6	176.3	-60.2	-64.8	-18.3	0	0	110.8	S224 D225	Q222-S224 PolarHBondContact O-N 2.8Å; Q222-D225 PolarHBondContact N-OD2 2.96Å; Q222-D225 WeakPolarHBondContact O-CB 3.24Å; Q222-D225 PolarHBondContact O-N 2.94Å
223	A	97.9	Very high	97.3	Very high	3 Å²	3	42.1 Å²	42.1	3%	0.025	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-58.4	-34.8	177.3	0	0	0	0	0	112.3	F71 D225 V226 P239 S243 R244 W245 K246	F71-A223 HydrophobicContact CE1-CB 4.43Å; F71-A223 HydrophobicContact CZ-CB 3.85Å; A223-D225 PolarHBondContact O-N 3.1Å; A223-V226 PolarHBondContact O-N 3.36Å; A223-V226 VanDerWaalsContact O-N 3.07Å; A223-P239 HydrophobicContact CB-CB 4.37Å; A223-S243 WeakPolarHBondContact CB-OG 3.46Å; A223-R244 CarbonylContact C-O 3.57Å; A223-W245 HydrophobicContact CB-CE3 4.11Å; A223-W245 HydrophobicContact CB-CZ3 4.15Å; A223-W245 WeakPolarHBondContact O-CA 3.24Å; A223-K246 PolarHBondContact O-N 2.89Å
224	S	97.7	Very high	97.2	Very high	66 Å²	66	41.1 Å²	41.1	46%	0.462	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-68.3	-10.2	176.2	55.4	0	0	0	0	114.5	Q222 R244 K246	Q222-S224 PolarHBondContact O-N 2.8Å; S224-R244 WeakPolarHBondContact CA-O 3.35Å; S224-R244 PolarHBondContact N-O 3.26Å; S224-R244 VanDerWaalsContact N-O 3.16Å; S224-K246 VanDerWaalsContact O-CB 3.27Å; S224-K246 WeakPolarHBondContact O-CB 3.29Å
225	D	98	Very high	97.1	Very high	29 Å²	29	47.7 Å²	47.7	16%	0.155	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-91.5	-15	172.9	-63.9	-61.5	0	0	0	112.4	R219 I221 Q222 A223 W260	R219-D225 IonicContact CZ-OD1 3.63Å; R219-D225 IonicContact NH2-OD1 2.92Å; R219-D225 PolarHBondContact NH2-OD1 3.02Å; I221-D225 HydrophobicContact CG2-CB 3.99Å; Q222-D225 PolarHBondContact N-OD2 2.96Å; Q222-D225 WeakPolarHBondContact O-CB 3.24Å; Q222-D225 PolarHBondContact O-N 2.94Å; A223-D225 PolarHBondContact O-N 3.1Å; D225-W260 WeakPolarHBondContact O-CB 3.32Å
226	V	98.6	Very high	97	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-101.9	123.9	-167.8	178.6	0	0	0	0	111.5	P69 L199 I221 A223 I228 W245 K246 A258 S259 W260	P69-V226 HydrophobicContact CG-CG1 4.25Å; L199-V226 HydrophobicContact CD1-CG2 4.13Å; L199-V226 HydrophobicContact CD2-CG2 4.49Å; I221-V226 HydrophobicContact CG2-CG2 3.68Å; A223-V226 PolarHBondContact O-N 3.36Å; A223-V226 VanDerWaalsContact O-N 3.07Å; V226-I228 HydrophobicContact CG1-CD1 3.95Å; V226-W245 HydrophobicContact CB-CE3 3.9Å; V226-W245 HydrophobicContact CB-CZ3 3.97Å; V226-W245 HydrophobicContact CG1-CE3 4.05Å; V226-W245 HydrophobicContact CG1-CZ3 3.97Å; V226-K246 VanDerWaalsContact O-CB 3.29Å; V226-K246 WeakPolarHBondContact O-CB 3.12Å; V226-K246 PolarHBondContact O-N 3.29Å; V226-A258 HydrophobicContact CG1-CB 4.17Å; V226-S259 WeakPolarHBondContact CA-O 3.5Å; V226-W260 HydrophobicContact CG2-CB 4.43Å
227	S	98.6	Very high	96.9	Very high	4 Å²	4	49 Å²	49	3%	0.028	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	131.9	166.3	-50.3	0	0	0	0	109.8	E247 A258 S259	S227-E247 WeakPolarHBondContact CA-O 3.2Å; S227-E247 VanDerWaalsContact CB-CG 3.46Å; S227-E247 VanDerWaalsContact CB-OE1 3.29Å; S227-E247 WeakPolarHBondContact CB-OE1 3.48Å; S227-E247 VanDerWaalsContact OG-CG 3.27Å; S227-E247 WeakPolarHBondContact OG-CG 3.47Å; S227-E247 PolarHBondContact OG-OE1 3.36Å; S227-A258 CarbonylContact O-C 3.53Å; S227-A258 VanDerWaalsContact O-CA 3.22Å; S227-A258 WeakPolarHBondContact O-CA 2.94Å; S227-S259 PolarHBondContact N-O 2.89Å; S227-S259 PolarHBondContact O-N 3.06Å
228	I	98.6	Very high	96.8	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	142.8	175.7	-63.2	-61.7	0	0	0	109.8	V226 P237 W245 E247 V248 R249 A258	V226-I228 HydrophobicContact CG1-CD1 3.95Å; I228-P237 HydrophobicContact CG2-CG 3.88Å; I228-W245 HydrophobicContact CD1-CD2 4.28Å; I228-W245 HydrophobicContact CD1-CE3 4.31Å; I228-W245 HydrophobicContact CD1-CH2 4.3Å; I228-W245 HydrophobicContact CD1-CZ2 4.24Å; I228-W245 HydrophobicContact CD1-CZ3 4.31Å; I228-W245 HydrophobicContact CG1-CD2 3.68Å; I228-W245 HydrophobicContact CG1-CE3 4.09Å; I228-W245 HydrophobicContact CG1-CG 3.88Å; I228-W245 HydrophobicContact CG1-CZ2 4.3Å; I228-E247 PolarHBondContact N-O 2.82Å; I228-V248 HydrophobicContact CB-CG2 4.47Å; I228-R249 PolarHBondContact O-N 3.25Å; I228-A258 HydrophobicContact CD1-CB 4Å
229	N	98.4	Very high	96.7	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	117.6	172.7	-171.2	42.7	0	0	0	111.3	L64 H66 R249 D251 V254 W256 L257	L64-N229 WeakPolarHBondContact CD2-O 3.26Å; H66-N229 PolarHBondContact NE2-O 3.1Å; H66-N229 VanDerWaalsContact NE2-O 3.09Å; N229-R249 WeakPolarHBondContact CA-O 3.39Å; N229-R249 PolarHBondContact OD1-O 3.08Å; N229-D251 PolarHBondContact ND2-O 2.81Å; N229-D251 PolarHBondContact OD1-N 3.02Å; N229-V254 WeakPolarHBondContact ND2-CG2 3.31Å; N229-W256 HydrophobicContact CB-CD2 4.33Å; N229-W256 HydrophobicContact CB-CE3 3.65Å; N229-W256 HydrophobicContact CB-CH2 3.64Å; N229-W256 HydrophobicContact CB-CZ2 4.3Å; N229-W256 HydrophobicContact CB-CZ3 3.3Å; N229-W256 PolarHBondContact ND2-O 2.8Å; N229-L257 PolarHBondContact N-O 3.31Å
230	C	98	Very high	96.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.261	C	S	.	.			trans	-145	171.5	-178.5	65.6	0	0	0	0	111.1	W61 R249 H250	W61-C230 WeakPolarHBondContact CH2-O 3.19Å; C230-R249 PolarHBondContact N-O 2.94Å; C230-R249 VanDerWaalsContact N-O 3.1Å; C230-H250 VanDerWaalsContact O-CA 3.3Å; C230-H250 WeakPolarHBondContact O-CA 3.45Å; C230-H250 WeakPolarHBondContact O-CB 3.45Å; C230-H250 PolarHBondContact O-ND1 2.85Å
231	G	97.3	Very high	96.6	Very high	4 Å²	4	52.4 Å²	52.4	4%	0.041	29%	0.294	C	S	.	.			trans	-59	151.2	172	0	0	0	0	0	112.4	L64 D233 S234 H250	L64-G231 PolarHBondContact O-N 3.29Å; G231-D233 VanDerWaalsContact C-N 3.3Å; G231-D233 PolarHBondContact O-N 3.41Å; G231-S234 PolarHBondContact N-OG 2.89Å; G231-S234 PolarHBondContact O-N 2.89Å; G231-S234 PolarHBondContact O-OG 3.01Å; G231-S234 VanDerWaalsContact O-OG 3.07Å; G231-H250 PolarHBondContact O-CE1 2.96Å; G231-H250 PolarHBondContact O-ND1 3.15Å; G231-H250 VanDerWaalsContact O-ND1 3.14Å
232	K	94.7	Very high	96.5	Very high	157 Å²	157	56.3 Å²	56.3	68%	0.683	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-40.2	177.6	-68.1	-176.8	-180	178.1	0	111.6	H250	K232-H250 HydrophobicContact CD-CB 4.46Å; K232-H250 HydrophobicContact CG-CB 3.46Å; K232-H250 VanDerWaalsContact CG-CB 3.46Å
233	D	92.4	Very high	96.4	Very high	169 Å²	169	53.9 Å²	53.9	90%	0.904	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	4.9	-176.9	-48.4	-53.6	0	0	0	113	G231	G231-D233 VanDerWaalsContact C-N 3.3Å; G231-D233 PolarHBondContact O-N 3.41Å
234	S	93.4	Very high	96.4	Very high	21 Å²	21	63 Å²	63	15%	0.147	37%	0.366	C	S	.	.	S	Bend	trans	-90.6	160.2	-179.2	74.4	0	0	0	0	112.4	L64 G231 V236	L64-S234 WeakPolarHBondContact O-CB 3.26Å; L64-S234 PolarHBondContact O-OG 3.21Å; G231-S234 PolarHBondContact N-OG 2.89Å; G231-S234 PolarHBondContact O-N 2.89Å; G231-S234 PolarHBondContact O-OG 3.01Å; G231-S234 VanDerWaalsContact O-OG 3.07Å; S234-V236 PolarHBondContact O-N 3.44Å
235	K	94.8	Very high	96.4	Very high	138 Å²	138	61.1 Å²	61.1	60%	0.6	35%	0.348	S	S	*	.			trans	-68	108.5	175.7	-175.9	172.2	-179.2	167.4	0	110.4
236	V	96.8	Very high	96.4	Very high	58 Å²	58	64.8 Å²	64.8	35%	0.352	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-60.4	130.4	175.6	-178.2	0	0	0	0	110.3	S234 S238 V248	S234-V236 PolarHBondContact O-N 3.44Å; V236-S238 PolarHBondContact O-N 3.36Å; V236-V248 HydrophobicContact CG1-CG1 3.87Å; V236-V248 HydrophobicContact CG1-CG2 3.93Å; V236-V248 HydrophobicContact CG2-CG1 4.27Å
237	P	96.6	Very high	96.4	Very high	8 Å²	8	67.6 Å²	67.6	5%	0.052	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-55.6	131	172.9	-21.2	27.1	0	0	0	112.1	H66 I228 W245	H66-P237 WeakPolarHBondContact O-CG 3.37Å; I228-P237 HydrophobicContact CG2-CG 3.88Å; P237-W245 HydrophobicContact CB-CZ2 4.43Å; P237-W245 PolarHBondContact O-NE1 3.49Å
238	S	96.1	Very high	96.4	Very high	99 Å²	99	70.1 Å²	70.1	69%	0.692	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-77.7	133.9	174	-54	0	0	0	0	110.7	V236	V236-S238 PolarHBondContact O-N 3.36Å
239	P	96.4	Very high	96.3	Very high	41 Å²	41	75.8 Å²	75.8	27%	0.266	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-69	165.2	172	31.2	-34.4	0	0	0	111	A223 S243 W245	A223-P239 HydrophobicContact CB-CB 4.37Å; P239-S243 VanDerWaalsContact CG-O 3.24Å; P239-S243 WeakPolarHBondContact CG-O 3.49Å; P239-W245 VanDerWaalsContact CA-CZ2 3.42Å; P239-W245 HydrophobicContact CB-CD2 3.91Å; P239-W245 HydrophobicContact CB-CE3 4.43Å; P239-W245 HydrophobicContact CB-CG 4.3Å; P239-W245 HydrophobicContact CB-CH2 4.42Å; P239-W245 HydrophobicContact CB-CZ2 3.91Å
240	P	94.9	Very high	96.3	Very high	51 Å²	51	79.1 Å²	79.1	33%	0.331	43%	0.428	S	S	.	.	S	Bend	trans	-51.3	145.8	170.8	-26.4	34.4	0	0	0	112.2	F71 G242 S243	F71-P240 HydrophobicContact CD2-CG 3.76Å; F71-P240 HydrophobicContact CE2-CG 3.47Å; F71-P240 VanDerWaalsContact CE2-CG 3.47Å; F71-P240 HydrophobicContact CZ-CG 4.14Å; P240-G242 PolarHBondContact O-N 3.46Å; P240-S243 WeakPolarHBondContact CD-OG 3.45Å; P240-S243 WeakPolarHBondContact O-CB 3.47Å; P240-S243 PolarHBondContact O-N 2.81Å; P240-S243 PolarHBondContact O-OG 3.01Å
241	P	95.2	Very high	96.3	Very high	138 Å²	138	81.6 Å²	81.6	90%	0.896	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	133.4	-178.2	-27.9	34.8	0	0	0	112.9	S243	P241-S243 VanDerWaalsContact C-N 3.3Å; P241-S243 PolarHBondContact O-N 3.29Å
242	G	94.5	Very high	96.2	Very high	96 Å²	96	84.2 Å²	84.2	99%	0.99	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	7	-179.1	0	0	0	0	0	115.2	P240	P240-G242 PolarHBondContact O-N 3.46Å
243	S	96.2	Very high	96.2	Very high	49 Å²	49	80.5 Å²	80.5	34%	0.343	45%	0.445	S	S	.	.			trans	-122.5	167.7	178.1	74.2	0	0	0	0	112.2	A223 P239 P240 P241	A223-S243 WeakPolarHBondContact CB-OG 3.46Å; P239-S243 VanDerWaalsContact CG-O 3.24Å; P239-S243 WeakPolarHBondContact CG-O 3.49Å; P240-S243 WeakPolarHBondContact CD-OG 3.45Å; P240-S243 WeakPolarHBondContact O-CB 3.47Å; P240-S243 PolarHBondContact O-N 2.81Å; P240-S243 PolarHBondContact O-OG 3.01Å; P241-S243 VanDerWaalsContact C-N 3.3Å; P241-S243 PolarHBondContact O-N 3.29Å
244	R	97.3	Very high	96.3	Very high	196 Å²	196	74.1 Å²	74.1	74%	0.74	41%	0.412	S	S	*	.			trans	-130.7	148.8	175.6	64.9	-177.9	-176.7	-89.8	1.4	110.2	A223 S224	A223-R244 CarbonylContact C-O 3.57Å; S224-R244 WeakPolarHBondContact CA-O 3.35Å; S224-R244 PolarHBondContact N-O 3.26Å; S224-R244 VanDerWaalsContact N-O 3.16Å
245	W	98.4	Very high	96.4	Very high	26 Å²	26	73.9 Å²	73.9	10%	0.098	41%	0.409	C	S	.	.			trans	-63	155.8	168	-61	125.9	0	0	0	110.6	P69 F71 A223 V226 I228 P237 P239 E247 V248	P69-W245 HydrophobicContact CG-CH2 3.97Å; P69-W245 HydrophobicContact CG-CZ3 4.13Å; F71-W245 AromaticContact CE2-CH2 3.87Å; F71-W245 HydrophobicContact CE2-CH2 3.87Å; F71-W245 AromaticContact CE2-CZ3 3.99Å; F71-W245 HydrophobicContact CE2-CZ3 3.99Å; F71-W245 HydrophobicContact CZ-CH2 4.04Å; F71-W245 AromaticContact CZ-CZ3 3.66Å; F71-W245 HydrophobicContact CZ-CZ3 3.66Å; A223-W245 HydrophobicContact CB-CE3 4.11Å; A223-W245 HydrophobicContact CB-CZ3 4.15Å; A223-W245 WeakPolarHBondContact O-CA 3.24Å; V226-W245 HydrophobicContact CB-CE3 3.9Å; V226-W245 HydrophobicContact CB-CZ3 3.97Å; V226-W245 HydrophobicContact CG1-CE3 4.05Å; V226-W245 HydrophobicContact CG1-CZ3 3.97Å; I228-W245 HydrophobicContact CD1-CD2 4.28Å; I228-W245 HydrophobicContact CD1-CE3 4.31Å; I228-W245 HydrophobicContact CD1-CH2 4.3Å; I228-W245 HydrophobicContact CD1-CZ2 4.24Å; I228-W245 HydrophobicContact CD1-CZ3 4.31Å; I228-W245 HydrophobicContact CG1-CD2 3.68Å; I228-W245 HydrophobicContact CG1-CE3 4.09Å; I228-W245 HydrophobicContact CG1-CG 3.88Å; I228-W245 HydrophobicContact CG1-CZ2 4.3Å; P237-W245 HydrophobicContact CB-CZ2 4.43Å; P237-W245 PolarHBondContact O-NE1 3.49Å; P239-W245 VanDerWaalsContact CA-CZ2 3.42Å; P239-W245 HydrophobicContact CB-CD2 3.91Å; P239-W245 HydrophobicContact CB-CE3 4.43Å; P239-W245 HydrophobicContact CB-CG 4.3Å; P239-W245 HydrophobicContact CB-CH2 4.42Å; P239-W245 HydrophobicContact CB-CZ2 3.91Å; W245-E247 VanDerWaalsContact C-N 3.28Å; W245-V248 HydrophobicContact CB-CG2 4.44Å
246	K	98.2	Very high	96.5	Very high	106 Å²	106	68.3 Å²	68.3	46%	0.461	39%	0.385	S	S	.	.	S	Bend	trans	-58.3	-47.2	168.9	-173.2	178.9	174.5	-177.2	0	110.4	A223 S224 V226	A223-K246 PolarHBondContact O-N 2.89Å; S224-K246 VanDerWaalsContact O-CB 3.27Å; S224-K246 WeakPolarHBondContact O-CB 3.29Å; V226-K246 VanDerWaalsContact O-CB 3.29Å; V226-K246 WeakPolarHBondContact O-CB 3.12Å; V226-K246 PolarHBondContact O-N 3.29Å
247	E	98.1	Very high	96.6	Very high	59 Å²	59	65.7 Å²	65.7	28%	0.276	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	160.6	177.9	62.8	-171.6	162.2	0	0	109.9	S227 I228 W245 R249	S227-E247 WeakPolarHBondContact CA-O 3.2Å; S227-E247 VanDerWaalsContact CB-CG 3.46Å; S227-E247 VanDerWaalsContact CB-OE1 3.29Å; S227-E247 WeakPolarHBondContact CB-OE1 3.48Å; S227-E247 VanDerWaalsContact OG-CG 3.27Å; S227-E247 WeakPolarHBondContact OG-CG 3.47Å; S227-E247 PolarHBondContact OG-OE1 3.36Å; I228-E247 PolarHBondContact N-O 2.82Å; W245-E247 VanDerWaalsContact C-N 3.28Å; E247-R249 VanDerWaalsContact CD-NH2 3.26Å; E247-R249 HydrophobicContact CG-CG 4.26Å; E247-R249 IonicContact OE1-CZ 3.67Å; E247-R249 VanDerWaalsContact OE1-CZ 3.22Å; E247-R249 IonicContact OE1-NE 2.85Å; E247-R249 PolarHBondContact OE1-NE 2.69Å; E247-R249 VanDerWaalsContact OE1-NE 3.08Å; E247-R249 IonicContact OE1-NH2 3.46Å; E247-R249 PolarHBondContact OE1-NH2 3.38Å; E247-R249 IonicContact OE2-CZ 3.73Å; E247-R249 IonicContact OE2-NE 2.84Å; E247-R249 PolarHBondContact OE2-NE 2.91Å; E247-R249 IonicContact OE2-NH2 3.98Å; E247-R249 PolarHBondContact OE2-NH2 3.42Å
248	V	98.2	Very high	96.7	Very high	57 Å²	57	65.3 Å²	65.3	35%	0.345	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	124.7	168.3	-178.7	0	0	0	0	107.1	I228 V236 W245	I228-V248 HydrophobicContact CB-CG2 4.47Å; V236-V248 HydrophobicContact CG1-CG1 3.87Å; V236-V248 HydrophobicContact CG1-CG2 3.93Å; V236-V248 HydrophobicContact CG2-CG1 4.27Å; W245-V248 HydrophobicContact CB-CG2 4.44Å
249	R	97.5	Very high	96.8	Very high	118 Å²	118	61.1 Å²	61.1	45%	0.445	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	160	179.9	-64.9	-169.7	-179.3	-176.5	5.3	110.6	I228 N229 C230 E247	I228-R249 PolarHBondContact O-N 3.25Å; N229-R249 WeakPolarHBondContact CA-O 3.39Å; N229-R249 PolarHBondContact OD1-O 3.08Å; C230-R249 PolarHBondContact N-O 2.94Å; C230-R249 VanDerWaalsContact N-O 3.1Å; E247-R249 VanDerWaalsContact CD-NH2 3.26Å; E247-R249 HydrophobicContact CG-CG 4.26Å; E247-R249 IonicContact OE1-CZ 3.67Å; E247-R249 VanDerWaalsContact OE1-CZ 3.22Å; E247-R249 IonicContact OE1-NE 2.85Å; E247-R249 PolarHBondContact OE1-NE 2.69Å; E247-R249 VanDerWaalsContact OE1-NE 3.08Å; E247-R249 IonicContact OE1-NH2 3.46Å; E247-R249 PolarHBondContact OE1-NH2 3.38Å; E247-R249 IonicContact OE2-CZ 3.73Å; E247-R249 IonicContact OE2-NE 2.84Å; E247-R249 PolarHBondContact OE2-NE 2.91Å; E247-R249 IonicContact OE2-NH2 3.98Å; E247-R249 PolarHBondContact OE2-NH2 3.42Å
250	H	97.7	Very high	96.9	Very high	71 Å²	71	59.5 Å²	59.5	33%	0.329	33%	0.326	S	S	.	.			trans	-132.8	54	177.6	-50.8	-69.2	0	0	0	110.4	C230 G231 K232	C230-H250 VanDerWaalsContact O-CA 3.3Å; C230-H250 WeakPolarHBondContact O-CA 3.45Å; C230-H250 WeakPolarHBondContact O-CB 3.45Å; C230-H250 PolarHBondContact O-ND1 2.85Å; G231-H250 PolarHBondContact O-CE1 2.96Å; G231-H250 PolarHBondContact O-ND1 3.15Å; G231-H250 VanDerWaalsContact O-ND1 3.14Å; K232-H250 HydrophobicContact CD-CB 4.46Å; K232-H250 HydrophobicContact CG-CB 3.46Å; K232-H250 VanDerWaalsContact CG-CB 3.46Å
251	D	96.9	Very high	97	Very high	51 Å²	51	60.7 Å²	60.7	27%	0.273	33%	0.328	S	S	.	.			trans	-93.9	103.6	-177.9	179.5	3.2	0	0	0	110.2	W61 N229 T253 V254	W61-D251 WeakPolarHBondContact CZ2-O 3.47Å; N229-D251 PolarHBondContact ND2-O 2.81Å; N229-D251 PolarHBondContact OD1-N 3.02Å; D251-T253 VanDerWaalsContact C-N 3.29Å; D251-T253 PolarHBondContact O-N 3.06Å; D251-T253 WeakPolarHBondContact OD1-CB 3.25Å; D251-T253 PolarHBondContact OD1-N 3.12Å; D251-T253 PolarHBondContact OD1-OG1 3.47Å; D251-V254 HydrophobicContact CB-CG2 3.99Å; D251-V254 VanDerWaalsContact O-CG2 3.27Å; D251-V254 WeakPolarHBondContact O-CG2 3.41Å; D251-V254 WeakPolarHBondContact OD2-CG1 3.35Å
252	N	95.7	Very high	97	Very high	59 Å²	59	54.9 Å²	54.9	32%	0.316	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	0.6	-180	69.2	-8	0	0	0	114.3	V59 K60 W61	V59-N252 HydrophobicContact CG1-CB 4.16Å; K60-N252 WeakPolarHBondContact CB-O 3.49Å; K60-N252 PolarHBondContact N-O 3.3Å; W61-N252 HydrophobicContact CD2-CB 3.98Å; W61-N252 HydrophobicContact CE3-CB 3.88Å; W61-N252 HydrophobicContact CH2-CB 3.98Å; W61-N252 HydrophobicContact CZ2-CB 4.08Å; W61-N252 HydrophobicContact CZ3-CB 3.86Å; W61-N252 WeakPolarHBondContact O-CB 3.28Å
253	T	94.9	Very high	97.1	Very high	80 Å²	80	53 Å²	53	49%	0.491	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-13.5	176.5	74.2	0	0	0	0	112.4	K60 D251	K60-T253 VanDerWaalsContact CG-O 3.24Å; K60-T253 WeakPolarHBondContact CG-O 3.39Å; D251-T253 VanDerWaalsContact C-N 3.29Å; D251-T253 PolarHBondContact O-N 3.06Å; D251-T253 WeakPolarHBondContact OD1-CB 3.25Å; D251-T253 PolarHBondContact OD1-N 3.12Å; D251-T253 PolarHBondContact OD1-OG1 3.47Å
254	V	95.3	Very high	97	Very high	35 Å²	35	51 Å²	51	21%	0.212	24%	0.242	C	C	.	.			trans	-111.5	163.9	-178.7	-60.6	0	0	0	0	112.5	W61 N229 D251 W256	W61-V254 PolarHBondContact NE1-O 3.14Å; N229-V254 WeakPolarHBondContact ND2-CG2 3.31Å; D251-V254 HydrophobicContact CB-CG2 3.99Å; D251-V254 VanDerWaalsContact O-CG2 3.27Å; D251-V254 WeakPolarHBondContact O-CG2 3.41Å; D251-V254 WeakPolarHBondContact OD2-CG1 3.35Å; V254-W256 HydrophobicContact CG2-CD2 4.4Å; V254-W256 HydrophobicContact CG2-CG 4.39Å; V254-W256 HydrophobicContact CG2-CZ2 4.25Å
255	T	95.2	Very high	96.8	Very high	15 Å²	15	44 Å²	44	9%	0.092	22%	0.218	C	C	.	.			trans	-114.3	8.2	-174.4	69.1	0	0	0	0	114.2	K60 L279	K60-T255 HydrophobicContact CB-CG2 4.06Å; K60-T255 HydrophobicContact CD-CG2 4.15Å; K60-T255 HydrophobicContact CG-CG2 3.82Å; T255-L279 HydrophobicContact CG2-CD1 4.08Å
256	W	97.1	Very high	96.6	Very high	22 Å²	22	45.1 Å²	45.1	8%	0.083	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	147.8	178.8	58.1	-97.2	0	0	0	110.4	N229 V254 Y270 I271 M272	N229-W256 HydrophobicContact CB-CD2 4.33Å; N229-W256 HydrophobicContact CB-CE3 3.65Å; N229-W256 HydrophobicContact CB-CH2 3.64Å; N229-W256 HydrophobicContact CB-CZ2 4.3Å; N229-W256 HydrophobicContact CB-CZ3 3.3Å; N229-W256 PolarHBondContact ND2-O 2.8Å; V254-W256 HydrophobicContact CG2-CD2 4.4Å; V254-W256 HydrophobicContact CG2-CG 4.39Å; V254-W256 HydrophobicContact CG2-CZ2 4.25Å; W256-Y270 HydrophobicContact CB-CD1 3.53Å; W256-Y270 HydrophobicContact CB-CE1 4.37Å; W256-Y270 HydrophobicContact CB-CG 4.11Å; W256-Y270 AromaticContact CD1-CD1 3.66Å; W256-Y270 AromaticContact CD1-CE1 3.61Å; W256-Y270 AromaticContact CD2-CD1 3.97Å; W256-Y270 HydrophobicContact CD2-CD1 3.97Å; W256-Y270 HydrophobicContact CD2-CE1 4.2Å; W256-Y270 AromaticContact CG-CD1 3.43Å; W256-Y270 HydrophobicContact CG-CD1 3.43Å; W256-Y270 VanDerWaalsContact CG-CD1 3.43Å; W256-Y270 AromaticContact CG-CE1 3.82Å; W256-Y270 HydrophobicContact CG-CE1 3.82Å; W256-Y270 HydrophobicContact CG-CG 4.43Å; W256-Y270 AromaticContact NE1-CE1 3.89Å; W256-I271 WeakPolarHBondContact CA-O 3.44Å; W256-M272 HydrophobicContact CB-CE 4.23Å; W256-M272 HydrophobicContact CB-CG 4.17Å
257	L	98.3	Very high	96.4	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.01	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	-33.8	-176.9	-67.2	72.3	0	0	0	111.1	H66 C185 I194 N229 I271 L273	H66-L257 HydrophobicContact CB-CD2 4.12Å; H66-L257 PolarHBondContact CE1-O 3.41Å; H66-L257 PolarHBondContact NE2-O 3.49Å; C185-L257 HydrophobicContact CB-CD2 3.96Å; I194-L257 HydrophobicContact CD1-CD2 3.6Å; I194-L257 HydrophobicContact CG1-CD2 3.83Å; N229-L257 PolarHBondContact N-O 3.31Å; L257-I271 HydrophobicContact CB-CG2 4.31Å; L257-I271 PolarHBondContact N-O 3.07Å; L257-L273 HydrophobicContact CD1-CD2 3.93Å; L257-L273 HydrophobicContact CD1-CG 4.13Å; L257-L273 HydrophobicContact CD2-CD2 4.3Å
258	A	98.5	Very high	96.3	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.008	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	152.9	171.9	0	0	0	0	0	109.9	V226 S227 I228 Y270 I271	V226-A258 HydrophobicContact CG1-CB 4.17Å; S227-A258 CarbonylContact O-C 3.53Å; S227-A258 VanDerWaalsContact O-CA 3.22Å; S227-A258 WeakPolarHBondContact O-CA 2.94Å; I228-A258 HydrophobicContact CD1-CB 4Å; A258-Y270 CarbonylContact O-C 3.57Å; A258-Y270 WeakPolarHBondContact O-CA 3.4Å; A258-I271 HydrophobicContact CB-CB 4.15Å; A258-I271 HydrophobicContact CB-CD1 4.15Å; A258-I271 HydrophobicContact CB-CG1 4.25Å; A258-I271 PolarHBondContact O-N 3.1Å
259	S	98.3	Very high	96.3	Very high	10 Å²	10	44.6 Å²	44.6	7%	0.07	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	154.8	175.1	67.1	0	0	0	0	112.6	V226 S227 K269	V226-S259 WeakPolarHBondContact CA-O 3.5Å; S227-S259 PolarHBondContact N-O 2.89Å; S227-S259 PolarHBondContact O-N 3.06Å; S259-K269 CarbonylContact C-O 3.58Å; S259-K269 WeakPolarHBondContact CA-O 3.31Å; S259-K269 VanDerWaalsContact CB-O 3.28Å; S259-K269 WeakPolarHBondContact CB-O 3.45Å
260	W	98.1	Very high	96.3	Very high	8 Å²	8	43.9 Å²	43.9	3%	0.03	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	162.9	172.2	67.4	98.6	0	0	0	109.7	L199 E200 I221 D225 V226 V268 K269 I271	L199-W260 HydrophobicContact CD2-CD2 4.02Å; L199-W260 HydrophobicContact CD2-CE3 3.62Å; L199-W260 HydrophobicContact CD2-CH2 3.86Å; L199-W260 HydrophobicContact CD2-CZ2 4.21Å; L199-W260 HydrophobicContact CD2-CZ3 3.56Å; E200-W260 HydrophobicContact CG-CZ2 4.36Å; I221-W260 VanDerWaalsContact CD1-CD1 3.46Å; I221-W260 HydrophobicContact CD1-CG 4.39Å; I221-W260 HydrophobicContact CG2-CB 4.34Å; I221-W260 HydrophobicContact CG2-CG 4.17Å; D225-W260 WeakPolarHBondContact O-CB 3.32Å; V226-W260 HydrophobicContact CG2-CB 4.43Å; W260-V268 CarbonylContact O-C 3.53Å; W260-V268 WeakPolarHBondContact O-CA 3.21Å; W260-K269 HydrophobicContact CD2-CB 3.76Å; W260-K269 HydrophobicContact CE3-CB 4.09Å; W260-K269 HydrophobicContact CG-CB 4.39Å; W260-K269 HydrophobicContact CH2-CB 3.75Å; W260-K269 HydrophobicContact CZ2-CB 3.39Å; W260-K269 HydrophobicContact CZ2-CG 3.98Å; W260-K269 HydrophobicContact CZ3-CB 4.06Å; W260-K269 PolarHBondContact N-O 2.81Å; W260-K269 VanDerWaalsContact N-O 3.07Å; W260-K269 PolarHBondContact O-N 3.24Å; W260-I271 HydrophobicContact CZ3-CG1 3.98Å
261	I	97.7	Very high	96.3	Very high	75 Å²	75	40.7 Å²	40.7	39%	0.385	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	122.8	173.8	-63.1	169.4	0	0	0	107.5	V268	I261-V268 HydrophobicContact CG1-CG2 4.31Å
262	E	95.1	Very high	96.3	Very high	17 Å²	17	40.8 Å²	40.8	8%	0.079	22%	0.219	C	C	.	.			trans	-80.1	147.3	173.6	67.1	66.3	-138.4	0	0	111.3	V264 Q265 G266 Q267 K269	E262-V264 PolarHBondContact O-N 2.77Å; E262-V264 WeakPolarHBondContact OE2-CA 3.43Å; E262-V264 WeakPolarHBondContact OE2-CB 2.98Å; E262-V264 PolarHBondContact OE2-N 2.67Å; E262-Q265 VanDerWaalsContact CD-N 3.35Å; E262-Q265 WeakPolarHBondContact OE1-CA 3.38Å; E262-Q265 WeakPolarHBondContact OE1-CB 3.43Å; E262-Q265 PolarHBondContact OE1-N 3.09Å; E262-Q265 PolarHBondContact OE2-N 3.17Å; E262-Q265 VanDerWaalsContact OE2-N 3.1Å; E262-G266 WeakPolarHBondContact O-CA 3.32Å; E262-G266 PolarHBondContact O-N 3.29Å; E262-G266 VanDerWaalsContact O-N 3.12Å; E262-G266 PolarHBondContact OE1-N 3.36Å; E262-Q267 HydrophobicContact CG-CB 4.46Å; E262-Q267 PolarHBondContact N-O 3.36Å; E262-Q267 PolarHBondContact OE1-N 3.22Å; E262-K269 HydrophobicContact CB-CG 4.16Å; E262-K269 HydrophobicContact CG-CD 4.48Å; E262-K269 HydrophobicContact CG-CG 4.04Å
263	N	96	Very high	96.4	Very high	57 Å²	57	38.3 Å²	38.3	31%	0.305	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-8.9	-164.3	70.1	-76.3	0	0	0	115.3	I217 K218 R219	I217-N263 PolarHBondContact O-ND2 3.19Å; K218-N263 WeakPolarHBondContact CA-OD1 3.47Å; R219-N263 HydrophobicContact CG-CB 4.05Å; R219-N263 PolarHBondContact N-OD1 3.12Å
264	V	95.4	Very high	96.4	Very high	5 Å²	5	35.9 Å²	35.9	3%	0.03	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-49.9	-173.5	-179.3	0	0	0	0	110.6	F205 K213 M216 K218 E262	F205-V264 HydrophobicContact CB-CG1 4.08Å; F205-V264 HydrophobicContact CB-CG2 4.08Å; F205-V264 HydrophobicContact CD1-CG1 3.92Å; F205-V264 HydrophobicContact CD2-CB 4.47Å; F205-V264 HydrophobicContact CD2-CG1 4.14Å; F205-V264 HydrophobicContact CE1-CG1 4.4Å; F205-V264 HydrophobicContact CG-CB 4.43Å; F205-V264 HydrophobicContact CG-CG1 3.77Å; F205-V264 HydrophobicContact CG-CG2 4.48Å; K213-V264 HydrophobicContact CB-CG1 3.89Å; K213-V264 HydrophobicContact CD-CG1 3.94Å; K213-V264 VanDerWaalsContact CD-O 3.29Å; K213-V264 WeakPolarHBondContact CD-O 3Å; K213-V264 WeakPolarHBondContact CE-O 3.42Å; K213-V264 PolarHBondContact NZ-O 3.16Å; M216-V264 HydrophobicContact CB-CG1 4.22Å; M216-V264 HydrophobicContact CB-CG2 4.35Å; M216-V264 HydrophobicContact SD-CG1 4.13Å; K218-V264 HydrophobicContact CG-CG2 4.03Å; E262-V264 PolarHBondContact O-N 2.77Å; E262-V264 WeakPolarHBondContact OE2-CA 3.43Å; E262-V264 WeakPolarHBondContact OE2-CB 2.98Å; E262-V264 PolarHBondContact OE2-N 2.67Å
265	Q	91.9	Very high	96.4	Very high	50 Å²	50	37.2 Å²	37.2	23%	0.234	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-3.9	177.3	-53.7	175.8	35.1	0	0	113	F205 E262 Q267	F205-Q265 VanDerWaalsContact CE2-NE2 3.27Å; E262-Q265 VanDerWaalsContact CD-N 3.35Å; E262-Q265 WeakPolarHBondContact OE1-CA 3.38Å; E262-Q265 WeakPolarHBondContact OE1-CB 3.43Å; E262-Q265 PolarHBondContact OE1-N 3.09Å; E262-Q265 PolarHBondContact OE2-N 3.17Å; E262-Q265 VanDerWaalsContact OE2-N 3.1Å; Q265-Q267 HydrophobicContact CB-CG 3.99Å; Q265-Q267 PolarHBondContact O-N 2.93Å
266	G	94.3	Very high	96.2	Very high	50 Å²	50	38.3 Å²	38.3	52%	0.515	21%	0.207	S	C	.	.			trans	69.1	15.4	-176.2	0	0	0	0	0	113.2	E262	E262-G266 WeakPolarHBondContact O-CA 3.32Å; E262-G266 PolarHBondContact O-N 3.29Å; E262-G266 VanDerWaalsContact O-N 3.12Å; E262-G266 PolarHBondContact OE1-N 3.36Å
267	Q	93.6	Very high	96.1	Very high	79 Å²	79	37.4 Å²	37.4	37%	0.369	21%	0.205	S	C	.	.			trans	-81.4	145.4	-176.8	-71.6	178	3.2	0	0	111.7	E262 Q265 K269	E262-Q267 HydrophobicContact CG-CB 4.46Å; E262-Q267 PolarHBondContact N-O 3.36Å; E262-Q267 PolarHBondContact OE1-N 3.22Å; Q265-Q267 HydrophobicContact CB-CG 3.99Å; Q265-Q267 PolarHBondContact O-N 2.93Å; Q267-K269 PolarHBondContact O-N 2.95Å
268	V	96.9	Very high	95.8	Very high	65 Å²	65	38.6 Å²	38.6	39%	0.394	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	127.8	172.3	-168.7	0	0	0	0	109.8	W260 I261 Y270	W260-V268 CarbonylContact O-C 3.53Å; W260-V268 WeakPolarHBondContact O-CA 3.21Å; I261-V268 HydrophobicContact CG1-CG2 4.31Å; V268-Y270 HydrophobicContact CB-CE2 4.08Å; V268-Y270 HydrophobicContact CG1-CD1 4.27Å; V268-Y270 HydrophobicContact CG1-CE1 3.58Å; V268-Y270 HydrophobicContact CG1-CE2 3.92Å; V268-Y270 WeakPolarHBondContact CG1-OH 3.17Å
269	K	97.6	Very high	95.5	Very high	66 Å²	66	39.5 Å²	39.5	29%	0.287	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	152.3	170.9	-63.1	-65.2	-178.9	-175.6	0	109.6	S259 W260 E262 Q267	S259-K269 CarbonylContact C-O 3.58Å; S259-K269 WeakPolarHBondContact CA-O 3.31Å; S259-K269 VanDerWaalsContact CB-O 3.28Å; S259-K269 WeakPolarHBondContact CB-O 3.45Å; W260-K269 HydrophobicContact CD2-CB 3.76Å; W260-K269 HydrophobicContact CE3-CB 4.09Å; W260-K269 HydrophobicContact CG-CB 4.39Å; W260-K269 HydrophobicContact CH2-CB 3.75Å; W260-K269 HydrophobicContact CZ2-CB 3.39Å; W260-K269 HydrophobicContact CZ2-CG 3.98Å; W260-K269 HydrophobicContact CZ3-CB 4.06Å; W260-K269 PolarHBondContact N-O 2.81Å; W260-K269 VanDerWaalsContact N-O 3.07Å; W260-K269 PolarHBondContact O-N 3.24Å; E262-K269 HydrophobicContact CB-CG 4.16Å; E262-K269 HydrophobicContact CG-CD 4.48Å; E262-K269 HydrophobicContact CG-CG 4.04Å; Q267-K269 PolarHBondContact O-N 2.95Å
270	Y	97.7	Very high	95.3	Very high	103 Å²	103	41.9 Å²	41.9	40%	0.404	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	143.3	-173.7	-57.5	-81.6	0	0	0	112.2	W256 A258 V268 M272	W256-Y270 HydrophobicContact CB-CD1 3.53Å; W256-Y270 HydrophobicContact CB-CE1 4.37Å; W256-Y270 HydrophobicContact CB-CG 4.11Å; W256-Y270 AromaticContact CD1-CD1 3.66Å; W256-Y270 AromaticContact CD1-CE1 3.61Å; W256-Y270 AromaticContact CD2-CD1 3.97Å; W256-Y270 HydrophobicContact CD2-CD1 3.97Å; W256-Y270 HydrophobicContact CD2-CE1 4.2Å; W256-Y270 AromaticContact CG-CD1 3.43Å; W256-Y270 HydrophobicContact CG-CD1 3.43Å; W256-Y270 VanDerWaalsContact CG-CD1 3.43Å; W256-Y270 AromaticContact CG-CE1 3.82Å; W256-Y270 HydrophobicContact CG-CE1 3.82Å; W256-Y270 HydrophobicContact CG-CG 4.43Å; W256-Y270 AromaticContact NE1-CE1 3.89Å; A258-Y270 CarbonylContact O-C 3.57Å; A258-Y270 WeakPolarHBondContact O-CA 3.4Å; V268-Y270 HydrophobicContact CB-CE2 4.08Å; V268-Y270 HydrophobicContact CG1-CD1 4.27Å; V268-Y270 HydrophobicContact CG1-CE1 3.58Å; V268-Y270 HydrophobicContact CG1-CE2 3.92Å; V268-Y270 WeakPolarHBondContact CG1-OH 3.17Å; Y270-M272 HydrophobicContact CD1-CE 4.39Å; Y270-M272 HydrophobicContact CD2-CE 3.89Å; Y270-M272 HydrophobicContact CG-CE 3.74Å
271	I	98.1	Very high	95.1	Very high	5 Å²	5	41.6 Å²	41.6	3%	0.026	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	124.2	156.3	-63	-172.1	0	0	0	107.6	P69 I194 N196 W256 L257 A258 W260	P69-I271 HydrophobicContact CB-CD1 3.61Å; I194-I271 HydrophobicContact CG2-CG2 3.48Å; I194-I271 VanDerWaalsContact CG2-CG2 3.48Å; N196-I271 WeakPolarHBondContact O-CG1 3.45Å; N196-I271 VanDerWaalsContact O-CG2 3.27Å; N196-I271 WeakPolarHBondContact O-CG2 3.3Å; W256-I271 WeakPolarHBondContact CA-O 3.44Å; L257-I271 HydrophobicContact CB-CG2 4.31Å; L257-I271 PolarHBondContact N-O 3.07Å; A258-I271 HydrophobicContact CB-CB 4.15Å; A258-I271 HydrophobicContact CB-CD1 4.15Å; A258-I271 HydrophobicContact CB-CG1 4.25Å; A258-I271 PolarHBondContact O-N 3.1Å; W260-I271 HydrophobicContact CZ3-CG1 3.98Å
272	M	97.1	Very high	94.8	Very high	53 Å²	53	40.1 Å²	40.1	26%	0.261	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	165	179.8	-65.3	-173.8	177.7	0	0	110.6	G195 W256 Y270 K280	G195-M272 WeakPolarHBondContact CA-O 3.27Å; G195-M272 PolarHBondContact N-O 3.46Å; W256-M272 HydrophobicContact CB-CE 4.23Å; W256-M272 HydrophobicContact CB-CG 4.17Å; Y270-M272 HydrophobicContact CD1-CE 4.39Å; Y270-M272 HydrophobicContact CD2-CE 3.89Å; Y270-M272 HydrophobicContact CG-CE 3.74Å; M272-K280 PolarHBondContact SD-NZ 3.43Å
273	L	96.6	Very high	94.7	Very high	7 Å²	7	44.2 Å²	44.2	4%	0.037	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-59.1	154.6	173.8	-56.1	176.7	0	0	0	112.9	C185 I187 L257 S277 L279	C185-L273 WeakPolarHBondContact SG-CD2 3.45Å; I187-L273 HydrophobicContact CD1-CD1 3.93Å; L257-L273 HydrophobicContact CD1-CD2 3.93Å; L257-L273 HydrophobicContact CD1-CG 4.13Å; L257-L273 HydrophobicContact CD2-CD2 4.3Å; L273-S277 WeakPolarHBondContact CB-OG 3.48Å; L273-L279 HydrophobicContact CD1-CB 4.28Å; L273-L279 HydrophobicContact CD1-CD1 3.9Å; L273-L279 HydrophobicContact CD1-CG 4.29Å
274	N	96	Very high	94.7	Very high	28 Å²	28	42.5 Å²	42.5	15%	0.15	22%	0.223	C	C	.	.			trans	-64.1	150.3	178.2	-169.1	-81.8	0	0	0	110.9	K193 S276 S277	K193-N274 HydrophobicContact CB-CB 3.91Å; K193-N274 HydrophobicContact CD-CB 4.46Å; K193-N274 HydrophobicContact CG-CB 3.98Å; K193-N274 WeakPolarHBondContact O-CB 3.38Å; K193-N274 PolarHBondContact O-N 3.4Å; N274-S276 PolarHBondContact O-N 3.47Å; N274-S276 PolarHBondContact OD1-N 3.05Å; N274-S276 PolarHBondContact OD1-OG 2.75Å; N274-S277 VanDerWaalsContact O-CB 3.26Å; N274-S277 WeakPolarHBondContact O-CB 2.96Å; N274-S277 PolarHBondContact O-N 2.84Å; N274-S277 PolarHBondContact O-OG 2.9Å
275	P	94	Very high	94.7	Very high	63 Å²	63	43.3 Å²	43.3	41%	0.409	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-19.1	176.9	-30.5	37	0	0	0	116.6	K579	P275-K579 HydrophobicContact CB-CD 4Å; P275-K579 HydrophobicContact CB-CG 3.95Å
276	S	92.4	Very high	94.8	Very high	38 Å²	38	45.2 Å²	45.2	27%	0.266	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-2.6	174.5	66.1	0	0	0	0	115.1	N274 T578	N274-S276 PolarHBondContact O-N 3.47Å; N274-S276 PolarHBondContact OD1-N 3.05Å; N274-S276 PolarHBondContact OD1-OG 2.75Å; S276-T578 WeakPolarHBondContact CB-O 3.36Å
277	S	93.8	Very high	94.9	Very high	4 Å²	4	45.5 Å²	45.5	3%	0.028	22%	0.224	C	C	.	.	S	Bend	trans	-63.7	156.4	174.4	49.6	0	0	0	0	112.4	E192 L273 N274 L279 K280 G281	E192-S277 WeakPolarHBondContact OE2-CA 3.35Å; E192-S277 WeakPolarHBondContact OE2-CB 3.37Å; L273-S277 WeakPolarHBondContact CB-OG 3.48Å; N274-S277 VanDerWaalsContact O-CB 3.26Å; N274-S277 WeakPolarHBondContact O-CB 2.96Å; N274-S277 PolarHBondContact O-N 2.84Å; N274-S277 PolarHBondContact O-OG 2.9Å; S277-L279 PolarHBondContact O-N 3.23Å; S277-K280 PolarHBondContact O-N 3.32Å; S277-K280 VanDerWaalsContact OG-CB 3.26Å; S277-K280 WeakPolarHBondContact OG-CB 3.27Å; S277-K280 WeakPolarHBondContact OG-CG 3.29Å; S277-K280 PolarHBondContact OG-N 2.9Å; S277-G281 PolarHBondContact O-N 2.58Å
278	K	92.2	Very high	95.1	Very high	27 Å²	27	41.8 Å²	41.8	12%	0.117	21%	0.206	C	C	.	.	H	α-helix	trans	-52	-56.3	171.1	172.2	170.4	-176.1	-179.9	0	111.6	W49 E52 E192 K280 G281 E282	W49-K278 HydrophobicContact CB-CB 3.78Å; W49-K278 HydrophobicContact CB-CD 3.68Å; W49-K278 HydrophobicContact CB-CG 3.56Å; W49-K278 HydrophobicContact CD2-CG 4.44Å; W49-K278 HydrophobicContact CG-CB 3.88Å; W49-K278 HydrophobicContact CG-CG 3.94Å; E52-K278 IonicContact OE2-NZ 3.39Å; E52-K278 PolarHBondContact OE2-NZ 2.73Å; E192-K278 WeakPolarHBondContact OE1-CB 3.28Å; E192-K278 PolarHBondContact OE1-N 2.96Å; K278-K280 VanDerWaalsContact C-N 3.28Å; K278-K280 PolarHBondContact O-N 3.43Å; K278-G281 PolarHBondContact O-N 2.82Å; K278-G281 VanDerWaalsContact O-N 3.08Å; K278-E282 WeakPolarHBondContact CE-OE1 3.16Å; K278-E282 HydrophobicContact CG-CG 4.22Å; K278-E282 WeakPolarHBondContact O-CG 3.44Å; K278-E282 PolarHBondContact O-N 3.3Å
279	L	92.4	Very high	95.1	Very high	19 Å²	19	41.2 Å²	41.2	10%	0.099	20%	0.2	C	C	.	.	H	α-helix	trans	-62.6	-30.2	-174.7	-63.2	-177.3	0	0	0	114.3	K60 I187 T255 L273 S277 K283	K60-L279 HydrophobicContact CB-CD1 4.35Å; K60-L279 WeakPolarHBondContact O-CD2 3.39Å; I187-L279 HydrophobicContact CD1-CD1 3.6Å; I187-L279 HydrophobicContact CD1-CG 4.39Å; T255-L279 HydrophobicContact CG2-CD1 4.08Å; L273-L279 HydrophobicContact CD1-CB 4.28Å; L273-L279 HydrophobicContact CD1-CD1 3.9Å; L273-L279 HydrophobicContact CD1-CG 4.29Å; S277-L279 PolarHBondContact O-N 3.23Å; L279-K283 WeakPolarHBondContact O-CG 3.4Å
280	K	93.8	Very high	95.1	Very high	61 Å²	61	38.8 Å²	38.8	27%	0.265	19%	0.19	S	C	.	.	H	α-helix	trans	-81.4	-40.3	174	-66.5	-65.1	-175	-178.9	0	111.4	M272 S277 K278 K283 D284	M272-K280 PolarHBondContact SD-NZ 3.43Å; S277-K280 PolarHBondContact O-N 3.32Å; S277-K280 VanDerWaalsContact OG-CB 3.26Å; S277-K280 WeakPolarHBondContact OG-CB 3.27Å; S277-K280 WeakPolarHBondContact OG-CG 3.29Å; S277-K280 PolarHBondContact OG-N 2.9Å; K278-K280 VanDerWaalsContact C-N 3.28Å; K278-K280 PolarHBondContact O-N 3.43Å; K280-K283 PolarHBondContact O-N 2.82Å; K280-D284 WeakPolarHBondContact O-CB 3.36Å; K280-D284 PolarHBondContact O-N 3.21Å
281	G	94.1	Very high	95.1	Very high	2 Å²	2	33.9 Å²	33.9	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-60.7	-48.5	177.4	0	0	0	0	0	112.5	W49 S277 K278 K283 D284 H285	W49-G281 VanDerWaalsContact CZ2-CA 3.5Å; S277-G281 PolarHBondContact O-N 2.58Å; K278-G281 PolarHBondContact O-N 2.82Å; K278-G281 VanDerWaalsContact O-N 3.08Å; G281-K283 PolarHBondContact O-N 2.87Å; G281-D284 PolarHBondContact O-N 3.21Å; G281-D284 VanDerWaalsContact O-N 3.13Å; G281-H285 WeakPolarHBondContact O-CB 3.43Å; G281-H285 PolarHBondContact O-N 2.91Å
282	E	92.9	Very high	95.1	Very high	43 Å²	43	36.9 Å²	36.9	20%	0.201	18%	0.182	C	C	.	.	H	α-helix	trans	-59.3	-45.3	177.6	-73.4	178	157.4	0	0	112	W49 K278 D284 H285 I286	W49-E282 HydrophobicContact CD2-CG 4.34Å; W49-E282 HydrophobicContact CE3-CG 3.48Å; W49-E282 VanDerWaalsContact CE3-CG 3.48Å; W49-E282 HydrophobicContact CH2-CG 4.47Å; W49-E282 HydrophobicContact CZ3-CB 4.3Å; W49-E282 HydrophobicContact CZ3-CG 3.58Å; K278-E282 WeakPolarHBondContact CE-OE1 3.16Å; K278-E282 HydrophobicContact CG-CG 4.22Å; K278-E282 WeakPolarHBondContact O-CG 3.44Å; K278-E282 PolarHBondContact O-N 3.3Å; E282-D284 VanDerWaalsContact C-N 3.31Å; E282-D284 PolarHBondContact O-N 3.43Å; E282-H285 PolarHBondContact O-N 3.48Å; E282-I286 WeakPolarHBondContact O-CB 3.34Å; E282-I286 VanDerWaalsContact O-CG1 3.24Å; E282-I286 WeakPolarHBondContact O-CG1 3.4Å; E282-I286 PolarHBondContact O-N 3.34Å
283	K	92.4	Very high	95.1	Very high	103 Å²	103	39 Å²	39	45%	0.448	19%	0.187	S	C	.	.	H	α-helix	trans	-62.1	-39.8	175.7	-74.8	-177.5	178.2	-178	0	111.8	L279 K280 G281 K287	L279-K283 WeakPolarHBondContact O-CG 3.4Å; K280-K283 PolarHBondContact O-N 2.82Å; G281-K283 PolarHBondContact O-N 2.87Å; K283-K287 VanDerWaalsContact O-CB 3.32Å; K283-K287 WeakPolarHBondContact O-CB 3.4Å; K283-K287 PolarHBondContact O-N 2.9Å
284	D	94.9	Very high	95.2	Very high	21 Å²	21	38.7 Å²	38.7	11%	0.112	19%	0.186	C	C	.	.	H	α-helix	trans	-67.5	-41	177	-146.1	40.7	0	0	0	110.9	K280 G281 E282 K287 Y288 K579	K280-D284 WeakPolarHBondContact O-CB 3.36Å; K280-D284 PolarHBondContact O-N 3.21Å; G281-D284 PolarHBondContact O-N 3.21Å; G281-D284 VanDerWaalsContact O-N 3.13Å; E282-D284 VanDerWaalsContact C-N 3.31Å; E282-D284 PolarHBondContact O-N 3.43Å; D284-K287 WeakPolarHBondContact O-CB 3.47Å; D284-K287 PolarHBondContact O-N 3.45Å; D284-K287 WeakPolarHBondContact OD1-CE 3.45Å; D284-K287 IonicContact OD1-NZ 3.7Å; D284-K287 PolarHBondContact OD1-NZ 2.78Å; D284-Y288 WeakPolarHBondContact O-CD2 3.34Å; D284-Y288 PolarHBondContact O-N 3.38Å; D284-K579 WeakPolarHBondContact OD2-CE 3.22Å; D284-K579 IonicContact OD2-NZ 2.81Å; D284-K579 PolarHBondContact OD2-NZ 2.99Å; D284-K579 VanDerWaalsContact OD2-NZ 3.16Å
285	H	95.3	Very high	95.2	Very high	22 Å²	22	39.3 Å²	39.3	10%	0.102	19%	0.189	C	C	.	.	H	α-helix	trans	-62	-51.7	174.2	178.5	-78.5	0	0	0	111.7	W49 G281 E282 K287 Y288 E289 W582	W49-H285 HydrophobicContact CH2-CB 4.27Å; G281-H285 WeakPolarHBondContact O-CB 3.43Å; G281-H285 PolarHBondContact O-N 2.91Å; E282-H285 PolarHBondContact O-N 3.48Å; H285-K287 PolarHBondContact O-N 3.36Å; H285-Y288 PolarHBondContact O-N 2.93Å; H285-E289 WeakPolarHBondContact CE1-CG 3.3Å; H285-E289 PolarHBondContact O-N 3.32Å; H285-W582 HydrophobicContact CB-CH2 4.26Å; H285-W582 HydrophobicContact CB-CZ2 4.35Å; H285-W582 HydrophobicContact CB-CZ3 4.35Å; H285-W582 AromaticContact CD2-CE3 3.54Å; H285-W582 AromaticContact CD2-CH2 3.97Å; H285-W582 AromaticContact CD2-CZ3 3.31Å; H285-W582 WeakPolarHBondContact CD2-CZ3 3.46Å
286	I	94.4	Very high	95.3	Very high	91 Å²	91	45 Å²	45	47%	0.467	21%	0.207	S	C	.	.	H	α-helix	trans	-58.1	-38.5	178.1	-69.6	164.6	0	0	0	111.4	E282 Y288 E289 T290	E282-I286 WeakPolarHBondContact O-CB 3.34Å; E282-I286 VanDerWaalsContact O-CG1 3.24Å; E282-I286 WeakPolarHBondContact O-CG1 3.4Å; E282-I286 PolarHBondContact O-N 3.34Å; I286-Y288 VanDerWaalsContact C-N 3.33Å; I286-Y288 PolarHBondContact O-N 2.91Å; I286-E289 PolarHBondContact O-N 3.39Å; I286-T290 WeakPolarHBondContact O-CB 3.17Å; I286-T290 PolarHBondContact O-N 2.7Å; I286-T290 PolarHBondContact O-OG1 3.12Å
287	K	96.3	Very high	95.6	Very high	56 Å²	56	45.5 Å²	45.5	24%	0.243	21%	0.209	C	C	.	.	H	α-helix	trans	-57.3	-45.9	175.3	175.2	-158.9	72.8	-177.5	0	111.2	K283 D284 H285 A291 T434 N550	K283-K287 VanDerWaalsContact O-CB 3.32Å; K283-K287 WeakPolarHBondContact O-CB 3.4Å; K283-K287 PolarHBondContact O-N 2.9Å; D284-K287 WeakPolarHBondContact O-CB 3.47Å; D284-K287 PolarHBondContact O-N 3.45Å; D284-K287 WeakPolarHBondContact OD1-CE 3.45Å; D284-K287 IonicContact OD1-NZ 3.7Å; D284-K287 PolarHBondContact OD1-NZ 2.78Å; H285-K287 PolarHBondContact O-N 3.36Å; K287-A291 PolarHBondContact O-N 3.3Å; K287-T434 HydrophobicContact CG-CG2 4.46Å; K287-N550 PolarHBondContact NZ-O 2.94Å
288	Y	97.7	Very high	95.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-72.5	-39.3	178.2	-64.9	-61.9	0	0	0	112.5	D284 H285 I286 T290 A291 R292 T434 L552 D553 P554 W582	D284-Y288 WeakPolarHBondContact O-CD2 3.34Å; D284-Y288 PolarHBondContact O-N 3.38Å; H285-Y288 PolarHBondContact O-N 2.93Å; I286-Y288 VanDerWaalsContact C-N 3.33Å; I286-Y288 PolarHBondContact O-N 2.91Å; Y288-T290 VanDerWaalsContact C-N 3.28Å; Y288-T290 PolarHBondContact O-N 3.25Å; Y288-A291 WeakPolarHBondContact O-CB 3.27Å; Y288-A291 PolarHBondContact O-N 2.89Å; Y288-A291 VanDerWaalsContact O-N 3.09Å; Y288-R292 WeakPolarHBondContact O-CG 3.47Å; Y288-R292 PolarHBondContact O-N 3.41Å; Y288-T434 HydrophobicContact CD1-CG2 3.68Å; Y288-T434 HydrophobicContact CE1-CG2 3.8Å; Y288-L552 WeakPolarHBondContact CE1-O 3.08Å; Y288-L552 PolarHBondContact OH-O 2.79Å; Y288-D553 WeakPolarHBondContact CB-OD2 3.5Å; Y288-D553 HydrophobicContact CD1-CB 3.64Å; Y288-D553 VanDerWaalsContact CE1-CA 3.41Å; Y288-D553 HydrophobicContact CE1-CB 4.06Å; Y288-D553 HydrophobicContact CG-CB 3.96Å; Y288-P554 VanDerWaalsContact CE2-CD 3.47Å; Y288-P554 HydrophobicContact CE2-CG 4.43Å; Y288-W582 HydrophobicContact CD2-CH2 4.1Å; Y288-W582 HydrophobicContact CD2-CZ2 4.13Å; Y288-W582 HydrophobicContact CE2-CZ2 4.39Å
289	E	97	Very high	96	Very high	54 Å²	54	49.5 Å²	49.5	25%	0.252	23%	0.231	S	C	.	.	H	α-helix	trans	-61.2	-37	173.9	-70.7	-56.7	110.4	0	0	112.5	H285 I286 A291 R292 R293 R555	H285-E289 WeakPolarHBondContact CE1-CG 3.3Å; H285-E289 PolarHBondContact O-N 3.32Å; I286-E289 PolarHBondContact O-N 3.39Å; E289-A291 VanDerWaalsContact C-N 3.33Å; E289-A291 PolarHBondContact O-N 2.97Å; E289-R292 PolarHBondContact O-N 3.39Å; E289-R292 WeakPolarHBondContact OE1-CD 3.36Å; E289-R292 IonicContact OE1-CZ 2.79Å; E289-R292 IonicContact OE1-NH1 3.57Å; E289-R292 PolarHBondContact OE1-NH1 2.95Å; E289-R292 IonicContact OE2-NH1 3.6Å; E289-R292 PolarHBondContact OE2-NH1 3.07Å; E289-R293 WeakPolarHBondContact O-CG 3.41Å; E289-R293 PolarHBondContact O-N 2.63Å; E289-R555 IonicContact OE1-CZ 3.62Å; E289-R555 IonicContact OE1-NH1 2.88Å; E289-R555 PolarHBondContact OE1-NH1 3.09Å; E289-R555 IonicContact OE1-NH2 3.64Å; E289-R555 PolarHBondContact OE1-NH2 3.06Å
290	T	97.4	Very high	96.3	Very high	14 Å²	14	56.2 Å²	56.2	9%	0.086	26%	0.259	C	S	.	.	H	α-helix	trans	-65.2	-38.5	174.2	-57.5	0	0	0	0	111.4	I286 Y288 R293 L294 M424 V431	I286-T290 WeakPolarHBondContact O-CB 3.17Å; I286-T290 PolarHBondContact O-N 2.7Å; I286-T290 PolarHBondContact O-OG1 3.12Å; Y288-T290 VanDerWaalsContact C-N 3.28Å; Y288-T290 PolarHBondContact O-N 3.25Å; T290-R293 PolarHBondContact O-N 2.97Å; T290-R293 PolarHBondContact OG1-NH2 3.1Å; T290-L294 PolarHBondContact O-N 2.86Å; T290-M424 HydrophobicContact CG2-CE 3.64Å; T290-M424 WeakPolarHBondContact O-CE 3.46Å; T290-V431 HydrophobicContact CG2-CG1 4.13Å; T290-V431 HydrophobicContact CG2-CG2 4.02Å
291	A	98.1	Very high	96.5	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-68.6	-32.6	174.6	0	0	0	0	0	112.8	K287 Y288 E289 L294 D295 V431 T434 Y435 F593	K287-A291 PolarHBondContact O-N 3.3Å; Y288-A291 WeakPolarHBondContact O-CB 3.27Å; Y288-A291 PolarHBondContact O-N 2.89Å; Y288-A291 VanDerWaalsContact O-N 3.09Å; E289-A291 VanDerWaalsContact C-N 3.33Å; E289-A291 PolarHBondContact O-N 2.97Å; A291-L294 WeakPolarHBondContact O-CB 3.4Å; A291-L294 PolarHBondContact O-N 2.72Å; A291-D295 PolarHBondContact O-N 3.04Å; A291-V431 HydrophobicContact CB-CG1 4.13Å; A291-T434 HydrophobicContact CB-CG2 3.87Å; A291-Y435 WeakPolarHBondContact O-CD2 3.29Å; A291-F593 HydrophobicContact CB-CE2 4.27Å; A291-F593 HydrophobicContact CB-CZ 3.74Å
292	R	97.9	Very high	96.7	Very high	68 Å²	68	55.6 Å²	55.6	26%	0.257	26%	0.255	S	S	.	.	H	α-helix	trans	-69.9	-37.3	172	-67.2	177.1	72.7	-150.8	6.5	112.6	Y288 E289 L294 D295 Y591 R592 F593	Y288-R292 WeakPolarHBondContact O-CG 3.47Å; Y288-R292 PolarHBondContact O-N 3.41Å; E289-R292 PolarHBondContact O-N 3.39Å; E289-R292 WeakPolarHBondContact OE1-CD 3.36Å; E289-R292 IonicContact OE1-CZ 2.79Å; E289-R292 IonicContact OE1-NH1 3.57Å; E289-R292 PolarHBondContact OE1-NH1 2.95Å; E289-R292 IonicContact OE2-NH1 3.6Å; E289-R292 PolarHBondContact OE2-NH1 3.07Å; R292-L294 VanDerWaalsContact C-N 3.27Å; R292-L294 PolarHBondContact O-N 3.06Å; R292-D295 WeakPolarHBondContact O-CB 3.22Å; R292-D295 PolarHBondContact O-N 2.62Å; R292-Y591 WeakPolarHBondContact CD-OH 3.5Å; R292-R592 PolarHBondContact NH2-O 2.86Å; R292-F593 HydrophobicContact CG-CD2 3.45Å; R292-F593 VanDerWaalsContact CG-CD2 3.45Å; R292-F593 HydrophobicContact CG-CE2 3.35Å; R292-F593 HydrophobicContact CG-CG 4.11Å; R292-F593 HydrophobicContact CG-CZ 3.93Å; R292-F593 PolarHBondContact NE-O 3.19Å
293	R	97.8	Very high	97	Very high	99 Å²	99	56.4 Å²	56.4	37%	0.374	27%	0.269	S	S	.	.	H	α-helix	trans	-61.7	-38.6	171.2	-72.3	-170.3	-62.3	146.9	6.9	111.3	E289 T290 D295 K296 M424 E425	E289-R293 WeakPolarHBondContact O-CG 3.41Å; E289-R293 PolarHBondContact O-N 2.63Å; T290-R293 PolarHBondContact O-N 2.97Å; T290-R293 PolarHBondContact OG1-NH2 3.1Å; R293-D295 VanDerWaalsContact C-N 3.34Å; R293-D295 PolarHBondContact O-N 2.97Å; R293-K296 PolarHBondContact O-N 2.98Å; R293-M424 HydrophobicContact CB-CE 4.32Å; R293-M424 HydrophobicContact CB-SD 4.01Å; R293-E425 PolarHBondContact NH1-O 3.4Å; R293-E425 PolarHBondContact NH2-O 3.14Å; R293-E425 VanDerWaalsContact NH2-O 3.13Å
294	L	97.9	Very high	97.2	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-59.4	-42.3	173.5	178	60.4	0	0	0	111.8	T290 A291 R292 K296 V297 I298 I301 M424 L427 V431 F432 Y435	T290-L294 PolarHBondContact O-N 2.86Å; A291-L294 WeakPolarHBondContact O-CB 3.4Å; A291-L294 PolarHBondContact O-N 2.72Å; R292-L294 VanDerWaalsContact C-N 3.27Å; R292-L294 PolarHBondContact O-N 3.06Å; L294-K296 PolarHBondContact O-N 3.42Å; L294-K296 VanDerWaalsContact O-N 3.14Å; L294-V297 HydrophobicContact CD1-CG2 4.41Å; L294-V297 CarbonylContact O-C 3.56Å; L294-V297 PolarHBondContact O-N 3.43Å; L294-I298 HydrophobicContact CD1-CD1 3.89Å; L294-I298 HydrophobicContact CD2-CD1 4.44Å; L294-I298 HydrophobicContact CG-CD1 4.12Å; L294-I298 WeakPolarHBondContact O-CA 3.36Å; L294-I298 WeakPolarHBondContact O-CB 3.24Å; L294-I298 PolarHBondContact O-N 3.35Å; L294-I301 HydrophobicContact CD1-CD1 3.64Å; L294-M424 HydrophobicContact CB-CE 4.27Å; L294-M424 HydrophobicContact CB-SD 4.22Å; L294-L427 HydrophobicContact CB-CD1 4.45Å; L294-L427 HydrophobicContact CD1-CD1 3.88Å; L294-L427 HydrophobicContact CD1-CD2 4.16Å; L294-L427 HydrophobicContact CD2-CD1 3.97Å; L294-L427 HydrophobicContact CG-CD1 4.33Å; L294-V431 HydrophobicContact CB-CG1 4.27Å; L294-V431 HydrophobicContact CD2-CG1 3.89Å; L294-F432 HydrophobicContact CD1-CE1 4.45Å; L294-F432 HydrophobicContact CD1-CZ 4.23Å; L294-F432 HydrophobicContact CD2-CD1 4.1Å; L294-F432 HydrophobicContact CD2-CD2 4.26Å; L294-F432 HydrophobicContact CD2-CE1 4.22Å; L294-F432 HydrophobicContact CD2-CE2 4.35Å; L294-F432 HydrophobicContact CD2-CG 4.12Å; L294-F432 HydrophobicContact CD2-CZ 4.33Å; L294-Y435 HydrophobicContact CD2-CD1 4.19Å; L294-Y435 HydrophobicContact CD2-CG 3.98Å; L294-Y435 HydrophobicContact CG-CG 4.35Å
295	D	96.9	Very high	97.4	Very high	40 Å²	40	52.6 Å²	52.6	21%	0.214	26%	0.255	C	S	.	.	H	α-helix	trans	-54.2	-35.4	178	-163.8	50.4	0	0	0	112.5	A291 R292 R293 V297 I298 Y435 K439	A291-D295 PolarHBondContact O-N 3.04Å; R292-D295 WeakPolarHBondContact O-CB 3.22Å; R292-D295 PolarHBondContact O-N 2.62Å; R293-D295 VanDerWaalsContact C-N 3.34Å; R293-D295 PolarHBondContact O-N 2.97Å; D295-V297 VanDerWaalsContact C-N 3.29Å; D295-V297 PolarHBondContact O-N 3.18Å; D295-I298 WeakPolarHBondContact O-CG2 3.14Å; D295-Y435 HydrophobicContact CB-CD2 4.17Å; D295-Y435 HydrophobicContact CB-CE2 3.51Å; D295-Y435 WeakPolarHBondContact OD1-CE2 3.29Å; D295-Y435 VanDerWaalsContact OD1-CZ 3.28Å; D295-Y435 PolarHBondContact OD1-OH 2.72Å; D295-K439 IonicContact OD1-NZ 3.45Å; D295-K439 PolarHBondContact OD1-NZ 3.08Å; D295-K439 IonicContact OD2-NZ 3.29Å; D295-K439 PolarHBondContact OD2-NZ 2.86Å
296	K	96.6	Very high	97.5	Very high	182 Å²	182	56.6 Å²	56.6	79%	0.791	27%	0.269	S	S	*	.	H	α-helix	trans	-71.1	-21.5	-179.5	-60	-176.3	-179.8	-174.8	0	114.1	R293 L294	R293-K296 PolarHBondContact O-N 2.98Å; L294-K296 PolarHBondContact O-N 3.42Å; L294-K296 VanDerWaalsContact O-N 3.14Å
297	V	97.2	Very high	97.7	Very high	50 Å²	50	57.3 Å²	57.3	30%	0.303	27%	0.274	S	S	.	.	H	α-helix	trans	-123.6	0.2	-174.5	-60.1	0	0	0	0	113.1	L294 D295 D299 K300 I301 M424	L294-V297 HydrophobicContact CD1-CG2 4.41Å; L294-V297 CarbonylContact O-C 3.56Å; L294-V297 PolarHBondContact O-N 3.43Å; D295-V297 VanDerWaalsContact C-N 3.29Å; D295-V297 PolarHBondContact O-N 3.18Å; V297-D299 VanDerWaalsContact C-N 3.3Å; V297-D299 PolarHBondContact O-N 3.24Å; V297-K300 WeakPolarHBondContact O-CB 3.44Å; V297-K300 PolarHBondContact O-N 3.02Å; V297-K300 VanDerWaalsContact O-N 3.16Å; V297-I301 HydrophobicContact CG2-CD1 4.04Å; V297-I301 PolarHBondContact O-N 3.45Å; V297-I301 VanDerWaalsContact O-N 3.11Å; V297-M424 HydrophobicContact CG2-SD 3.97Å
298	I	97.8	Very high	97.8	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-59.4	-41.2	-172.8	-171.3	62.5	0	0	0	111.6	L294 D295 K300 I301 R302 F432 Y435	L294-I298 HydrophobicContact CD1-CD1 3.89Å; L294-I298 HydrophobicContact CD2-CD1 4.44Å; L294-I298 HydrophobicContact CG-CD1 4.12Å; L294-I298 WeakPolarHBondContact O-CA 3.36Å; L294-I298 WeakPolarHBondContact O-CB 3.24Å; L294-I298 PolarHBondContact O-N 3.35Å; D295-I298 WeakPolarHBondContact O-CG2 3.14Å; I298-K300 VanDerWaalsContact C-N 3.31Å; I298-K300 PolarHBondContact O-N 3.01Å; I298-I301 PolarHBondContact O-N 3.08Å; I298-I301 VanDerWaalsContact O-N 3.14Å; I298-R302 HydrophobicContact CG1-CG 4.29Å; I298-R302 VanDerWaalsContact CG1-CZ 3.42Å; I298-R302 VanDerWaalsContact O-CG 3.23Å; I298-R302 WeakPolarHBondContact O-CG 3.35Å; I298-R302 PolarHBondContact O-N 3.37Å; I298-F432 HydrophobicContact CD1-CD1 4.18Å; I298-F432 HydrophobicContact CD1-CE1 3.6Å; I298-F432 HydrophobicContact CD1-CZ 4.46Å; I298-Y435 HydrophobicContact CD1-CE1 4.33Å; I298-Y435 HydrophobicContact CG1-CE1 3.97Å
299	D	98.1	Very high	97.8	Very high	113 Å²	113	56.7 Å²	56.7	60%	0.604	27%	0.271	S	S	*	.	H	α-helix	trans	-68.2	-33.4	-177.8	-65.8	-30	0	0	0	112.2	V297 R302 A303	V297-D299 VanDerWaalsContact C-N 3.3Å; V297-D299 PolarHBondContact O-N 3.24Å; D299-R302 PolarHBondContact O-N 3.43Å; D299-R302 IonicContact OD1-NH1 3.54Å; D299-R302 PolarHBondContact OD1-NH1 2.83Å; D299-A303 WeakPolarHBondContact O-CB 3.42Å; D299-A303 PolarHBondContact O-N 3.07Å
300	K	97.8	Very high	97.8	Very high	160 Å²	160	60.1 Å²	60.1	70%	0.696	29%	0.286	S	S	*	.	H	α-helix	trans	-63	-47.6	170.4	-178	179.6	177.2	-178	0	110.7	V297 I298 R302 A303 T304	V297-K300 WeakPolarHBondContact O-CB 3.44Å; V297-K300 PolarHBondContact O-N 3.02Å; V297-K300 VanDerWaalsContact O-N 3.16Å; I298-K300 VanDerWaalsContact C-N 3.31Å; I298-K300 PolarHBondContact O-N 3.01Å; K300-R302 VanDerWaalsContact C-N 3.29Å; K300-R302 PolarHBondContact O-N 2.92Å; K300-A303 PolarHBondContact O-N 3.08Å; K300-T304 PolarHBondContact O-N 2.96Å; K300-T304 PolarHBondContact O-OG1 3.32Å; K300-T304 VanDerWaalsContact O-OG1 3.07Å
301	I	97.9	Very high	97.9	Very high	4 Å²	4	61 Å²	61	2%	0.021	29%	0.292	C	S	.	.	H	α-helix	trans	-61.1	-40.3	177.9	-65.6	172.5	0	0	0	111	L294 V297 I298 T304 Y305 L323 L423 L427 F432	L294-I301 HydrophobicContact CD1-CD1 3.64Å; V297-I301 HydrophobicContact CG2-CD1 4.04Å; V297-I301 PolarHBondContact O-N 3.45Å; V297-I301 VanDerWaalsContact O-N 3.11Å; I298-I301 PolarHBondContact O-N 3.08Å; I298-I301 VanDerWaalsContact O-N 3.14Å; I301-T304 WeakPolarHBondContact O-CB 3.43Å; I301-T304 PolarHBondContact O-N 3.18Å; I301-Y305 HydrophobicContact CG2-CD1 4.26Å; I301-Y305 VanDerWaalsContact O-CD1 3.24Å; I301-Y305 WeakPolarHBondContact O-CD1 3.45Å; I301-Y305 PolarHBondContact O-N 3.41Å; I301-L323 HydrophobicContact CG2-CD2 4.09Å; I301-L423 HydrophobicContact CD1-CB 4.34Å; I301-L423 HydrophobicContact CG1-CB 4.33Å; I301-L423 HydrophobicContact CG1-CD1 4.27Å; I301-L423 HydrophobicContact CG2-CD1 4.14Å; I301-L427 HydrophobicContact CD1-CD2 3.76Å; I301-F432 HydrophobicContact CG2-CZ 4.31Å
302	R	98.5	Very high	97.8	Very high	46 Å²	46	71 Å²	71	17%	0.174	34%	0.336	C	S	.	.	H	α-helix	trans	-63.3	-43	175.9	-69	176.4	168.7	146.3	4.9	112.4	I298 D299 K300 T304 Y305 R306 D327	I298-R302 HydrophobicContact CG1-CG 4.29Å; I298-R302 VanDerWaalsContact CG1-CZ 3.42Å; I298-R302 VanDerWaalsContact O-CG 3.23Å; I298-R302 WeakPolarHBondContact O-CG 3.35Å; I298-R302 PolarHBondContact O-N 3.37Å; D299-R302 PolarHBondContact O-N 3.43Å; D299-R302 IonicContact OD1-NH1 3.54Å; D299-R302 PolarHBondContact OD1-NH1 2.83Å; K300-R302 VanDerWaalsContact C-N 3.29Å; K300-R302 PolarHBondContact O-N 2.92Å; R302-T304 VanDerWaalsContact C-N 3.34Å; R302-Y305 VanDerWaalsContact CA-CE1 3.44Å; R302-Y305 HydrophobicContact CB-CE1 4.04Å; R302-Y305 HydrophobicContact CG-CE1 3.74Å; R302-Y305 WeakPolarHBondContact CG-OH 3.23Å; R302-R306 VanDerWaalsContact O-CB 3.32Å; R302-R306 WeakPolarHBondContact O-CB 3.41Å; R302-R306 WeakPolarHBondContact O-CG 3.45Å; R302-R306 PolarHBondContact O-N 3.42Å; R302-R306 VanDerWaalsContact O-N 3.13Å; R302-D327 WeakPolarHBondContact CG-OD2 3.28Å; R302-D327 IonicContact CZ-OD1 3Å; R302-D327 IonicContact CZ-OD2 3.97Å; R302-D327 IonicContact NE-OD1 3.53Å; R302-D327 IonicContact NE-OD2 3.75Å; R302-D327 PolarHBondContact NE-OD2 2.78Å; R302-D327 IonicContact NH2-OD1 3.49Å; R302-D327 PolarHBondContact NH2-OD1 3.17Å; R302-D327 IonicContact NH2-OD2 2.77Å
303	A	98.3	Very high	97.8	Very high	60 Å²	60	73.7 Å²	73.7	50%	0.496	35%	0.351	S	S	.	.	H	α-helix	trans	-61.8	-43.8	173.5	0	0	0	0	0	111.3	D299 K300 R306 D307	D299-A303 WeakPolarHBondContact O-CB 3.42Å; D299-A303 PolarHBondContact O-N 3.07Å; K300-A303 PolarHBondContact O-N 3.08Å; A303-R306 PolarHBondContact O-N 3.41Å; A303-D307 PolarHBondContact O-N 3.02Å; A303-D307 VanDerWaalsContact O-N 3.08Å
304	T	97.6	Very high	97.8	Very high	42 Å²	42	71.5 Å²	71.5	26%	0.258	35%	0.346	S	S	.	.	H	α-helix	trans	-57.8	-56.3	177.4	-59.2	0	0	0	0	111.8	K300 I301 R302 R306 D307 E308	K300-T304 PolarHBondContact O-N 2.96Å; K300-T304 PolarHBondContact O-OG1 3.32Å; K300-T304 VanDerWaalsContact O-OG1 3.07Å; I301-T304 WeakPolarHBondContact O-CB 3.43Å; I301-T304 PolarHBondContact O-N 3.18Å; R302-T304 VanDerWaalsContact C-N 3.34Å; T304-R306 PolarHBondContact O-N 3.47Å; T304-D307 PolarHBondContact O-N 2.77Å; T304-D307 VanDerWaalsContact O-N 3.15Å; T304-E308 HydrophobicContact CG2-CG 4.43Å; T304-E308 WeakPolarHBondContact O-CG 3.46Å; T304-E308 PolarHBondContact O-N 3.06Å
305	Y	98	Very high	97.8	Very high	2 Å²	2	77.5 Å²	77.5	1%	0.008	37%	0.368	C	S	.	.	H	α-helix	trans	-66.5	-28.2	-177	69.2	-124.6	0	0	0	112.4	I301 R302 D307 E308 W309 A320 L323 Y324 D327	I301-Y305 HydrophobicContact CG2-CD1 4.26Å; I301-Y305 VanDerWaalsContact O-CD1 3.24Å; I301-Y305 WeakPolarHBondContact O-CD1 3.45Å; I301-Y305 PolarHBondContact O-N 3.41Å; R302-Y305 VanDerWaalsContact CA-CE1 3.44Å; R302-Y305 HydrophobicContact CB-CE1 4.04Å; R302-Y305 HydrophobicContact CG-CE1 3.74Å; R302-Y305 WeakPolarHBondContact CG-OH 3.23Å; Y305-D307 VanDerWaalsContact C-N 3.35Å; Y305-E308 PolarHBondContact O-N 2.78Å; Y305-W309 AromaticContact CD2-CZ2 3.76Å; Y305-W309 HydrophobicContact CD2-CZ2 3.76Å; Y305-W309 HydrophobicContact CE2-CH2 4.39Å; Y305-W309 AromaticContact CE2-CZ2 3.79Å; Y305-W309 HydrophobicContact CE2-CZ2 3.79Å; Y305-W309 PolarHBondContact O-N 3.08Å; Y305-W309 PolarHBondContact O-NE1 3.29Å; Y305-A320 WeakPolarHBondContact O-CB 3.49Å; Y305-L323 HydrophobicContact CD1-CD2 3.95Å; Y305-L323 HydrophobicContact CD1-CG 3.95Å; Y305-Y324 AromaticContact CE2-CD2 3.99Å; Y305-Y324 HydrophobicContact CE2-CD2 3.99Å; Y305-D327 HydrophobicContact CE1-CB 4.37Å; Y305-D327 PolarHBondContact OH-OD2 2.8Å
306	R	98.4	Very high	97.8	Very high	106 Å²	106	76.6 Å²	76.6	40%	0.4	36%	0.364	S	S	.	.	H	α-helix	trans	-66.5	-37.6	175.5	-80.8	176.7	166.6	-174.6	-3	112.2	R302 A303 T304 W309 E387	R302-R306 VanDerWaalsContact O-CB 3.32Å; R302-R306 WeakPolarHBondContact O-CB 3.41Å; R302-R306 WeakPolarHBondContact O-CG 3.45Å; R302-R306 PolarHBondContact O-N 3.42Å; R302-R306 VanDerWaalsContact O-N 3.13Å; A303-R306 PolarHBondContact O-N 3.41Å; T304-R306 PolarHBondContact O-N 3.47Å; R306-W309 HydrophobicContact CB-CE3 4.31Å; R306-W309 HydrophobicContact CB-CH2 4.46Å; R306-W309 HydrophobicContact CB-CZ3 4.2Å; R306-W309 HydrophobicContact CG-CE3 4.24Å; R306-W309 HydrophobicContact CG-CH2 3.56Å; R306-W309 HydrophobicContact CG-CZ2 4.02Å; R306-W309 HydrophobicContact CG-CZ3 3.67Å; R306-E387 IonicContact CZ-OE1 2.73Å; R306-E387 VanDerWaalsContact CZ-OE1 3.29Å; R306-E387 IonicContact NE-OE1 3.55Å; R306-E387 PolarHBondContact NE-OE1 3.17Å; R306-E387 VanDerWaalsContact NE-OE1 3.16Å; R306-E387 IonicContact NE-OE2 3.49Å; R306-E387 IonicContact NH2-OE1 2.6Å; R306-E387 PolarHBondContact NH2-OE1 2.86Å
307	D	97.9	Very high	97.9	Very high	106 Å²	106	70.6 Å²	70.6	57%	0.567	34%	0.336	S	S	*	.	H	α-helix	trans	-71	-42.3	174.3	-168.7	53.9	0	0	0	111.3	A303 T304 Y305 W309 K310	A303-D307 PolarHBondContact O-N 3.02Å; A303-D307 VanDerWaalsContact O-N 3.08Å; T304-D307 PolarHBondContact O-N 2.77Å; T304-D307 VanDerWaalsContact O-N 3.15Å; Y305-D307 VanDerWaalsContact C-N 3.35Å; D307-W309 PolarHBondContact O-N 3.26Å; D307-W309 VanDerWaalsContact O-N 3.09Å; D307-K310 WeakPolarHBondContact O-CB 3.23Å; D307-K310 PolarHBondContact O-N 3.13Å
308	E	98.2	Very high	98	Very high	33 Å²	33	68.2 Å²	68.2	15%	0.154	32%	0.322	C	S	.	.	H	α-helix	trans	-60.7	-21.2	179.2	-74.9	-173.8	172.1	0	0	114.3	T304 Y305 K310 S311 V316 R319 A320 H419	T304-E308 HydrophobicContact CG2-CG 4.43Å; T304-E308 WeakPolarHBondContact O-CG 3.46Å; T304-E308 PolarHBondContact O-N 3.06Å; Y305-E308 PolarHBondContact O-N 2.78Å; E308-K310 PolarHBondContact O-N 2.78Å; E308-K310 VanDerWaalsContact O-N 3.09Å; E308-S311 VanDerWaalsContact O-CB 3.23Å; E308-S311 WeakPolarHBondContact O-CB 3.32Å; E308-S311 PolarHBondContact O-N 3.44Å; E308-V316 HydrophobicContact CB-CG1 3.69Å; E308-V316 HydrophobicContact CG-CG1 3.74Å; E308-R319 IonicContact OE1-CZ 2.75Å; E308-R319 IonicContact OE1-NH2 3.48Å; E308-R319 PolarHBondContact OE1-NH2 2.97Å; E308-R319 IonicContact OE2-CZ 3.94Å; E308-R319 IonicContact OE2-NE 3.29Å; E308-R319 IonicContact OE2-NH2 3.38Å; E308-R319 PolarHBondContact OE2-NH2 3.35Å; E308-A320 HydrophobicContact CB-CB 3.63Å; E308-H419 IonicContact OE1-CE1 2.9Å; E308-H419 IonicContact OE1-NE2 3.4Å
309	W	98.5	Very high	98	Very high	9 Å²	9	69.9 Å²	69.9	3%	0.034	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-21.8	170.7	-63.7	-21.4	0	0	0	113.8	Y305 R306 D307 A320 Y324 E387 R389 V390 N393	Y305-W309 AromaticContact CD2-CZ2 3.76Å; Y305-W309 HydrophobicContact CD2-CZ2 3.76Å; Y305-W309 HydrophobicContact CE2-CH2 4.39Å; Y305-W309 AromaticContact CE2-CZ2 3.79Å; Y305-W309 HydrophobicContact CE2-CZ2 3.79Å; Y305-W309 PolarHBondContact O-N 3.08Å; Y305-W309 PolarHBondContact O-NE1 3.29Å; R306-W309 HydrophobicContact CB-CE3 4.31Å; R306-W309 HydrophobicContact CB-CH2 4.46Å; R306-W309 HydrophobicContact CB-CZ3 4.2Å; R306-W309 HydrophobicContact CG-CE3 4.24Å; R306-W309 HydrophobicContact CG-CH2 3.56Å; R306-W309 HydrophobicContact CG-CZ2 4.02Å; R306-W309 HydrophobicContact CG-CZ3 3.67Å; D307-W309 PolarHBondContact O-N 3.26Å; D307-W309 VanDerWaalsContact O-N 3.09Å; W309-A320 PolarHBondContact NE1-O 2.89Å; W309-Y324 HydrophobicContact CH2-CD2 4.16Å; W309-Y324 HydrophobicContact CH2-CE2 4.38Å; W309-Y324 AromaticContact CZ2-CD2 3.73Å; W309-Y324 HydrophobicContact CZ2-CD2 3.73Å; W309-Y324 HydrophobicContact CZ2-CE2 4.36Å; W309-Y324 AromaticContact CZ2-CG 3.89Å; W309-Y324 HydrophobicContact CZ2-CG 3.89Å; W309-E387 HydrophobicContact CH2-CB 4.18Å; W309-E387 VanDerWaalsContact CH2-CD 3.45Å; W309-E387 HydrophobicContact CH2-CG 4.19Å; W309-E387 WeakPolarHBondContact CH2-OE1 3.13Å; W309-E387 HydrophobicContact CZ3-CB 4.05Å; W309-E387 HydrophobicContact CZ3-CG 4.36Å; W309-E387 VanDerWaalsContact CZ3-OE2 3.24Å; W309-E387 WeakPolarHBondContact CZ3-OE2 3.49Å; W309-R389 HydrophobicContact CE3-CB 4.03Å; W309-V390 HydrophobicContact CD2-CG2 4.01Å; W309-V390 HydrophobicContact CE3-CG2 4.23Å; W309-V390 HydrophobicContact CH2-CG2 3.65Å; W309-V390 HydrophobicContact CZ2-CG2 3.42Å; W309-V390 VanDerWaalsContact CZ2-CG2 3.42Å; W309-V390 HydrophobicContact CZ3-CG2 4.06Å; W309-N393 PolarHBondContact O-ND2 2.63Å
310	K	97.7	Very high	98	Very high	127 Å²	127	64.5 Å²	64.5	55%	0.552	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	-1.5	179.3	-56.1	172.5	-168.5	162.1	0	113	D307 E308	D307-K310 WeakPolarHBondContact O-CB 3.23Å; D307-K310 PolarHBondContact O-N 3.13Å; E308-K310 PolarHBondContact O-N 2.78Å; E308-K310 VanDerWaalsContact O-N 3.09Å
311	S	97.9	Very high	98.1	Very high	31 Å²	31	56.9 Å²	56.9	22%	0.217	27%	0.266	C	S	.	.			trans	-53.1	149.8	-177.3	179.7	0	0	0	0	111.8	E308 E313 R317	E308-S311 VanDerWaalsContact O-CB 3.23Å; E308-S311 WeakPolarHBondContact O-CB 3.32Å; E308-S311 PolarHBondContact O-N 3.44Å; S311-E313 PolarHBondContact O-N 3.14Å; S311-E313 PolarHBondContact OG-N 2.83Å; S311-E313 VanDerWaalsContact OG-N 3.11Å; S311-R317 PolarHBondContact O-NE 3.48Å; S311-R317 PolarHBondContact O-NH2 3.03Å
312	K	97.3	Very high	98.1	Very high	211 Å²	211	56.7 Å²	56.7	92%	0.917	27%	0.265	S	S	*	.	S	Bend	trans	-72.9	-20.9	171.5	-65.3	-176.5	-179.1	179.1	0	111.7
313	E	97.6	Very high	98.1	Very high	124 Å²	124	54.6 Å²	54.6	58%	0.579	26%	0.257	S	S	*	.			trans	-89.9	123.2	-179	-65.1	-174	-178.4	0	0	112.1	S311 R315 V316 R317	S311-E313 PolarHBondContact O-N 3.14Å; S311-E313 PolarHBondContact OG-N 2.83Å; S311-E313 VanDerWaalsContact OG-N 3.11Å; E313-R315 VanDerWaalsContact C-N 3.31Å; E313-R315 PolarHBondContact O-N 3.29Å; E313-V316 HydrophobicContact CB-CB 4.2Å; E313-V316 HydrophobicContact CB-CG2 3.91Å; E313-V316 PolarHBondContact O-N 3.46Å; E313-V316 WeakPolarHBondContact OE2-CG2 3.37Å; E313-R317 PolarHBondContact O-N 3.49Å
314	M	97.3	Very high	98.1	Very high	54 Å²	54	52.5 Å²	52.5	27%	0.266	24%	0.237	S	C	.	.	H	α-helix	trans	-60.2	-39.4	179.6	-170.5	60.8	78.7	0	0	112.6	V316 R317 Q318 F397	M314-V316 VanDerWaalsContact C-N 3.28Å; M314-V316 PolarHBondContact O-N 2.95Å; M314-R317 PolarHBondContact O-N 3.16Å; M314-Q318 HydrophobicContact CG-CG 4.4Å; M314-Q318 WeakPolarHBondContact O-CG 3.21Å; M314-Q318 PolarHBondContact O-N 2.78Å; M314-F397 HydrophobicContact SD-CD1 3.63Å; M314-F397 HydrophobicContact SD-CE1 3.46Å; M314-F397 WeakPolarHBondContact SD-CE1 3.36Å
315	R	97.4	Very high	98.1	Very high	126 Å²	126	50.5 Å²	50.5	48%	0.475	23%	0.225	S	C	.	.	H	α-helix	trans	-57.9	-41.3	177.8	-179.5	177.6	-179.3	-163.8	0.1	111.9	E313 R319 R410	E313-R315 VanDerWaalsContact C-N 3.31Å; E313-R315 PolarHBondContact O-N 3.29Å; R315-R319 WeakPolarHBondContact O-CB 3.48Å; R315-R319 PolarHBondContact O-N 3.42Å; R315-R410 HydrophobicContact CB-CB 4.23Å; R315-R410 HydrophobicContact CG-CB 4.43Å
316	V	98.1	Very high	98.1	Very high	20 Å²	20	50.4 Å²	50.4	12%	0.121	22%	0.224	C	C	.	.	H	α-helix	trans	-67.3	-44.5	178.1	174.4	0	0	0	0	110.5	E308 E313 M314 Q318 R319 A320	E308-V316 HydrophobicContact CB-CG1 3.69Å; E308-V316 HydrophobicContact CG-CG1 3.74Å; E313-V316 HydrophobicContact CB-CB 4.2Å; E313-V316 HydrophobicContact CB-CG2 3.91Å; E313-V316 PolarHBondContact O-N 3.46Å; E313-V316 WeakPolarHBondContact OE2-CG2 3.37Å; M314-V316 VanDerWaalsContact C-N 3.28Å; M314-V316 PolarHBondContact O-N 2.95Å; V316-Q318 PolarHBondContact O-N 3.28Å; V316-R319 PolarHBondContact O-N 3.4Å; V316-A320 VanDerWaalsContact O-CB 3.3Å; V316-A320 WeakPolarHBondContact O-CB 3.45Å; V316-A320 PolarHBondContact O-N 2.96Å
317	R	98.4	Very high	98.1	Very high	56 Å²	56	45.4 Å²	45.4	21%	0.211	21%	0.206	C	C	.	.	H	α-helix	trans	-59.9	-47.2	175.9	-64.9	-171	-176	-179.5	9.1	112.4	S311 E313 M314 A320 V321 N393 F397	S311-R317 PolarHBondContact O-NE 3.48Å; S311-R317 PolarHBondContact O-NH2 3.03Å; E313-R317 PolarHBondContact O-N 3.49Å; M314-R317 PolarHBondContact O-N 3.16Å; R317-A320 PolarHBondContact O-N 3.36Å; R317-V321 WeakPolarHBondContact O-CG2 3.41Å; R317-V321 PolarHBondContact O-N 3Å; R317-N393 WeakPolarHBondContact CD-OD1 3.39Å; R317-N393 PolarHBondContact NH1-OD1 3.25Å; R317-F397 HydrophobicContact CB-CE1 4.03Å; R317-F397 HydrophobicContact CB-CZ 3.92Å
318	Q	98.5	Very high	98	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-60.9	-47.2	179	-74.8	-174.3	1.3	0	0	111.3	M314 V316 A320 V321 A322 F397 F408 D409	M314-Q318 HydrophobicContact CG-CG 4.4Å; M314-Q318 WeakPolarHBondContact O-CG 3.21Å; M314-Q318 PolarHBondContact O-N 2.78Å; V316-Q318 PolarHBondContact O-N 3.28Å; Q318-A320 VanDerWaalsContact C-N 3.33Å; Q318-A320 PolarHBondContact O-N 3.36Å; Q318-V321 PolarHBondContact O-N 3.34Å; Q318-A322 WeakPolarHBondContact O-CB 3.33Å; Q318-A322 PolarHBondContact O-N 3.4Å; Q318-F397 HydrophobicContact CB-CZ 4.38Å; Q318-F397 HydrophobicContact CG-CD1 3.91Å; Q318-F397 HydrophobicContact CG-CD2 4.24Å; Q318-F397 HydrophobicContact CG-CE1 3.71Å; Q318-F397 HydrophobicContact CG-CE2 4.05Å; Q318-F397 HydrophobicContact CG-CG 4.19Å; Q318-F397 HydrophobicContact CG-CZ 3.77Å; Q318-F408 HydrophobicContact CB-CD1 3.8Å; Q318-F408 HydrophobicContact CG-CD1 4Å; Q318-D409 PolarHBondContact NE2-OD1 3.36Å
319	R	98.3	Very high	98	Very high	36 Å²	36	43.7 Å²	43.7	14%	0.136	19%	0.193	C	C	.	.	H	α-helix	trans	-56.7	-46.8	174.8	-175.8	-174.3	69	-162.3	-0.2	111.8	E308 R315 V316 A322 L323 L411 L416 H419	E308-R319 IonicContact OE1-CZ 2.75Å; E308-R319 IonicContact OE1-NH2 3.48Å; E308-R319 PolarHBondContact OE1-NH2 2.97Å; E308-R319 IonicContact OE2-CZ 3.94Å; E308-R319 IonicContact OE2-NE 3.29Å; E308-R319 IonicContact OE2-NH2 3.38Å; E308-R319 PolarHBondContact OE2-NH2 3.35Å; R315-R319 WeakPolarHBondContact O-CB 3.48Å; R315-R319 PolarHBondContact O-N 3.42Å; V316-R319 PolarHBondContact O-N 3.4Å; R319-A322 PolarHBondContact O-N 2.87Å; R319-L323 WeakPolarHBondContact O-CB 3.49Å; R319-L323 PolarHBondContact O-N 3.11Å; R319-L411 HydrophobicContact CB-CD1 3.98Å; R319-L411 HydrophobicContact CG-CD1 4.14Å; R319-L416 HydrophobicContact CG-CD1 3.99Å; R319-H419 VanDerWaalsContact CD-CD2 3.48Å; R319-H419 WeakPolarHBondContact CD-CD2 3.4Å; R319-H419 PolarHBondContact NE-CD2 3.1Å; R319-H419 VanDerWaalsContact NE-CD2 3.27Å; R319-H419 PolarHBondContact NE-NE2 3.39Å; R319-H419 PolarHBondContact NH1-ND1 2.91Å; R319-H419 PolarHBondContact NH2-CE1 3.32Å
320	A	98.4	Very high	97.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-66.4	-38.7	-178.3	0	0	0	0	0	113	Y305 E308 W309 V316 R317 Q318 Y324	Y305-A320 WeakPolarHBondContact O-CB 3.49Å; E308-A320 HydrophobicContact CB-CB 3.63Å; W309-A320 PolarHBondContact NE1-O 2.89Å; V316-A320 VanDerWaalsContact O-CB 3.3Å; V316-A320 WeakPolarHBondContact O-CB 3.45Å; V316-A320 PolarHBondContact O-N 2.96Å; R317-A320 PolarHBondContact O-N 3.36Å; Q318-A320 VanDerWaalsContact C-N 3.33Å; Q318-A320 PolarHBondContact O-N 3.36Å; A320-Y324 WeakPolarHBondContact O-CB 3.46Å; A320-Y324 PolarHBondContact O-N 3.36Å
321	V	98.7	Very high	97.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-69.7	-42.4	174.4	171	0	0	0	0	111.4	R317 Q318 L323 Y324 F325 V390 N393 L394 F397 F408	R317-V321 WeakPolarHBondContact O-CG2 3.41Å; R317-V321 PolarHBondContact O-N 3Å; Q318-V321 PolarHBondContact O-N 3.34Å; V321-L323 VanDerWaalsContact C-N 3.32Å; V321-L323 PolarHBondContact O-N 2.87Å; V321-Y324 WeakPolarHBondContact O-CB 3.41Å; V321-Y324 PolarHBondContact O-N 3.12Å; V321-F325 HydrophobicContact CG1-CD2 4.4Å; V321-F325 HydrophobicContact CG1-CE1 4.25Å; V321-F325 HydrophobicContact CG1-CE2 3.88Å; V321-F325 HydrophobicContact CG1-CZ 3.79Å; V321-F325 PolarHBondContact O-N 3.09Å; V321-V390 HydrophobicContact CG1-CG1 3.94Å; V321-V390 HydrophobicContact CG2-CG1 4.41Å; V321-N393 HydrophobicContact CG2-CB 4.14Å; V321-L394 HydrophobicContact CG1-CD2 4.15Å; V321-F397 HydrophobicContact CB-CE2 3.86Å; V321-F397 HydrophobicContact CB-CZ 4.39Å; V321-F397 HydrophobicContact CG1-CE2 4.05Å; V321-F397 HydrophobicContact CG2-CE2 3.85Å; V321-F397 HydrophobicContact CG2-CZ 4.02Å; V321-F408 HydrophobicContact CB-CE1 4.22Å; V321-F408 HydrophobicContact CG1-CE1 3.99Å; V321-F408 HydrophobicContact CG1-CZ 4.09Å
322	A	98.4	Very high	97.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.7	-41.1	175	0	0	0	0	0	111.7	Q318 R319 Y324 F325 I326 C347 F408 L411	Q318-A322 WeakPolarHBondContact O-CB 3.33Å; Q318-A322 PolarHBondContact O-N 3.4Å; R319-A322 PolarHBondContact O-N 2.87Å; A322-Y324 VanDerWaalsContact C-N 3.34Å; A322-Y324 PolarHBondContact O-N 2.99Å; A322-F325 PolarHBondContact O-N 3.39Å; A322-I326 WeakPolarHBondContact O-CG1 3.47Å; A322-I326 PolarHBondContact O-N 2.81Å; A322-C347 PolarHBondContact O-SG 2.72Å; A322-F408 HydrophobicContact CB-CD2 4.43Å; A322-F408 HydrophobicContact CB-CE1 4.27Å; A322-F408 HydrophobicContact CB-CE2 4.1Å; A322-F408 HydrophobicContact CB-CZ 4Å; A322-L411 HydrophobicContact CB-CD2 3.4Å; A322-L411 VanDerWaalsContact CB-CD2 3.4Å
323	L	98.4	Very high	97.6	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.01	13%	0.133	C	C	.	.	H	α-helix	trans	-64.3	-39.2	175.5	-175	54.4	0	0	0	111.9	I301 Y305 R319 V321 I326 D327 L416 L420 F432	I301-L323 HydrophobicContact CG2-CD2 4.09Å; Y305-L323 HydrophobicContact CD1-CD2 3.95Å; Y305-L323 HydrophobicContact CD1-CG 3.95Å; R319-L323 WeakPolarHBondContact O-CB 3.49Å; R319-L323 PolarHBondContact O-N 3.11Å; V321-L323 VanDerWaalsContact C-N 3.32Å; V321-L323 PolarHBondContact O-N 2.87Å; L323-I326 PolarHBondContact O-N 3.14Å; L323-D327 WeakPolarHBondContact O-CB 3.44Å; L323-D327 PolarHBondContact O-N 3.02Å; L323-L416 HydrophobicContact CB-CD1 4.41Å; L323-L420 HydrophobicContact CD1-CD2 3.81Å; L323-L420 HydrophobicContact CD2-CD2 4.02Å; L323-F432 HydrophobicContact CD1-CE1 4.2Å; L323-F432 HydrophobicContact CD1-CE2 3.92Å; L323-F432 HydrophobicContact CD1-CZ 3.73Å
324	Y	98.5	Very high	97.2	Very high	16 Å²	16	25.2 Å²	25.2	6%	0.063	11%	0.113	C	C	.	.	H	α-helix	trans	-58.9	-44.2	172.1	166.1	-99.3	0	0	0	112.2	Y305 W309 A320 V321 A322 D327 K328 V386 V390	Y305-Y324 AromaticContact CE2-CD2 3.99Å; Y305-Y324 HydrophobicContact CE2-CD2 3.99Å; W309-Y324 HydrophobicContact CH2-CD2 4.16Å; W309-Y324 HydrophobicContact CH2-CE2 4.38Å; W309-Y324 AromaticContact CZ2-CD2 3.73Å; W309-Y324 HydrophobicContact CZ2-CD2 3.73Å; W309-Y324 HydrophobicContact CZ2-CE2 4.36Å; W309-Y324 AromaticContact CZ2-CG 3.89Å; W309-Y324 HydrophobicContact CZ2-CG 3.89Å; A320-Y324 WeakPolarHBondContact O-CB 3.46Å; A320-Y324 PolarHBondContact O-N 3.36Å; V321-Y324 WeakPolarHBondContact O-CB 3.41Å; V321-Y324 PolarHBondContact O-N 3.12Å; A322-Y324 VanDerWaalsContact C-N 3.34Å; A322-Y324 PolarHBondContact O-N 2.99Å; Y324-D327 PolarHBondContact O-N 2.79Å; Y324-K328 HydrophobicContact CD2-CG 3.7Å; Y324-K328 HydrophobicContact CE2-CB 4.37Å; Y324-K328 HydrophobicContact CE2-CD 4.47Å; Y324-K328 HydrophobicContact CE2-CG 3.46Å; Y324-K328 VanDerWaalsContact CE2-CG 3.46Å; Y324-K328 HydrophobicContact CG-CG 4.49Å; Y324-K328 WeakPolarHBondContact O-CB 3.27Å; Y324-K328 PolarHBondContact O-N 3.13Å; Y324-V386 HydrophobicContact CE1-CB 4.29Å; Y324-V386 HydrophobicContact CE1-CG1 4.17Å; Y324-V390 HydrophobicContact CD1-CG1 4.07Å; Y324-V390 HydrophobicContact CD1-CG2 4.02Å; Y324-V390 HydrophobicContact CE1-CB 4.5Å; Y324-V390 HydrophobicContact CE1-CG1 4.03Å; Y324-V390 HydrophobicContact CE1-CG2 4.1Å; Y324-V390 HydrophobicContact CG-CG2 4.38Å
325	F	98.5	Very high	96.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-65.2	-39	175.9	-65.9	-21.2	0	0	0	112.8	V321 A322 L329 L331 F370 V390 L394 F408	V321-F325 HydrophobicContact CG1-CD2 4.4Å; V321-F325 HydrophobicContact CG1-CE1 4.25Å; V321-F325 HydrophobicContact CG1-CE2 3.88Å; V321-F325 HydrophobicContact CG1-CZ 3.79Å; V321-F325 PolarHBondContact O-N 3.09Å; A322-F325 PolarHBondContact O-N 3.39Å; F325-L329 HydrophobicContact CD1-CD1 4.29Å; F325-L329 WeakPolarHBondContact O-CA 3.27Å; F325-L329 VanDerWaalsContact O-CB 3.28Å; F325-L329 WeakPolarHBondContact O-CB 3.29Å; F325-L329 PolarHBondContact O-N 3.11Å; F325-L331 HydrophobicContact CB-CD1 4.01Å; F325-F370 HydrophobicContact CD1-CZ 4.16Å; F325-F370 HydrophobicContact CD2-CE1 4.3Å; F325-F370 HydrophobicContact CD2-CZ 4.2Å; F325-F370 AromaticContact CE1-CZ 3.82Å; F325-F370 HydrophobicContact CE1-CZ 3.82Å; F325-F370 HydrophobicContact CE2-CE1 4Å; F325-F370 AromaticContact CE2-CZ 3.84Å; F325-F370 HydrophobicContact CE2-CZ 3.84Å; F325-F370 HydrophobicContact CG-CZ 4.35Å; F325-F370 HydrophobicContact CZ-CE1 4.24Å; F325-F370 AromaticContact CZ-CZ 3.65Å; F325-F370 HydrophobicContact CZ-CZ 3.65Å; F325-V390 HydrophobicContact CE1-CG1 3.99Å; F325-V390 HydrophobicContact CZ-CG1 4.3Å; F325-L394 HydrophobicContact CE2-CD2 4.11Å; F325-L394 HydrophobicContact CZ-CD1 3.88Å; F325-L394 HydrophobicContact CZ-CD2 3.9Å; F325-L394 HydrophobicContact CZ-CG 4.39Å; F325-F408 HydrophobicContact CD2-CE2 4.4Å; F325-F408 AromaticContact CD2-CZ 3.98Å; F325-F408 HydrophobicContact CD2-CZ 3.98Å; F325-F408 HydrophobicContact CE2-CE2 4.47Å; F325-F408 AromaticContact CE2-CZ 3.83Å; F325-F408 HydrophobicContact CE2-CZ 3.83Å
326	I	98.3	Very high	95.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-65.4	-42	175.7	-70.1	163.3	0	0	0	111.2	A322 L323 A330 C347 L416 A429 F432	A322-I326 WeakPolarHBondContact O-CG1 3.47Å; A322-I326 PolarHBondContact O-N 2.81Å; L323-I326 PolarHBondContact O-N 3.14Å; I326-A330 VanDerWaalsContact O-CA 3.26Å; I326-A330 WeakPolarHBondContact O-CA 3.28Å; I326-A330 PolarHBondContact O-N 2.89Å; I326-C347 HydrophobicContact CD1-CB 4.04Å; I326-C347 HydrophobicContact CG1-CB 3.79Å; I326-L416 HydrophobicContact CD1-CD2 3.38Å; I326-A429 HydrophobicContact CD1-CB 4.07Å; I326-A429 HydrophobicContact CG2-CB 4.42Å; I326-F432 HydrophobicContact CG2-CB 3.77Å; I326-F432 HydrophobicContact CG2-CD2 4.31Å; I326-F432 HydrophobicContact CG2-CG 4.06Å
327	D	98.1	Very high	95.1	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.011	15%	0.151	C	C	.	.	H	α-helix	trans	-70	-49.1	178.5	177.2	36.5	0	0	0	112.1	R302 Y305 L323 Y324 F432 N436	R302-D327 WeakPolarHBondContact CG-OD2 3.28Å; R302-D327 IonicContact CZ-OD1 3Å; R302-D327 IonicContact CZ-OD2 3.97Å; R302-D327 IonicContact NE-OD1 3.53Å; R302-D327 IonicContact NE-OD2 3.75Å; R302-D327 PolarHBondContact NE-OD2 2.78Å; R302-D327 IonicContact NH2-OD1 3.49Å; R302-D327 PolarHBondContact NH2-OD1 3.17Å; R302-D327 IonicContact NH2-OD2 2.77Å; Y305-D327 HydrophobicContact CE1-CB 4.37Å; Y305-D327 PolarHBondContact OH-OD2 2.8Å; L323-D327 WeakPolarHBondContact O-CB 3.44Å; L323-D327 PolarHBondContact O-N 3.02Å; Y324-D327 PolarHBondContact O-N 2.79Å; D327-F432 HydrophobicContact CB-CD1 3.92Å; D327-F432 HydrophobicContact CB-CE1 4.13Å; D327-N436 PolarHBondContact O-ND2 2.98Å
328	K	96.3	Very high	94.1	Very high	85 Å²	85	34.8 Å²	34.8	37%	0.37	17%	0.169	S	C	.	.	H	α-helix	trans	-83.5	-39.5	-173.9	-66.3	-59	-175.2	177.6	0	114.2	Y324	Y324-K328 HydrophobicContact CD2-CG 3.7Å; Y324-K328 HydrophobicContact CE2-CB 4.37Å; Y324-K328 HydrophobicContact CE2-CD 4.47Å; Y324-K328 HydrophobicContact CE2-CG 3.46Å; Y324-K328 VanDerWaalsContact CE2-CG 3.46Å; Y324-K328 HydrophobicContact CG-CG 4.49Å; Y324-K328 WeakPolarHBondContact O-CB 3.27Å; Y324-K328 PolarHBondContact O-N 3.13Å
329	L	96.8	Very high	93.2	Very high	17 Å²	17	44.3 Å²	44.3	9%	0.089	21%	0.213	C	C	.	.	H	α-helix	trans	-103.3	0.6	-173.1	-54.8	-178.7	0	0	0	112.9	F325 L331 F370 V384	F325-L329 HydrophobicContact CD1-CD1 4.29Å; F325-L329 WeakPolarHBondContact O-CA 3.27Å; F325-L329 VanDerWaalsContact O-CB 3.28Å; F325-L329 WeakPolarHBondContact O-CB 3.29Å; F325-L329 PolarHBondContact O-N 3.11Å; L329-L331 HydrophobicContact CB-CD2 4.31Å; L329-L331 HydrophobicContact CB-CG 4.01Å; L329-L331 PolarHBondContact O-N 2.73Å; L329-L331 VanDerWaalsContact O-N 3.13Å; L329-F370 HydrophobicContact CD1-CD2 4.19Å; L329-F370 HydrophobicContact CD1-CE2 3.58Å; L329-F370 HydrophobicContact CD1-CZ 3.99Å; L329-V384 HydrophobicContact CD1-CG2 4.12Å; L329-V384 HydrophobicContact CD2-CB 4.45Å; L329-V384 HydrophobicContact CD2-CG1 3.88Å; L329-V384 HydrophobicContact CD2-CG2 3.75Å
330	A	96.9	Very high	92.5	Very high	4 Å²	4	45.1 Å²	45.1	3%	0.033	22%	0.22	C	C	.	.			trans	52.1	34.4	-177.8	0	0	0	0	0	112.9	I326 R433 L472	I326-A330 VanDerWaalsContact O-CA 3.26Å; I326-A330 WeakPolarHBondContact O-CA 3.28Å; I326-A330 PolarHBondContact O-N 2.89Å; A330-R433 HydrophobicContact CB-CG 4.29Å; A330-R433 WeakPolarHBondContact O-CD 3.14Å; A330-R433 WeakPolarHBondContact O-CG 3.48Å; A330-R433 PolarHBondContact O-NE 3.24Å; A330-L472 HydrophobicContact CB-CD1 4.11Å; A330-L472 HydrophobicContact CB-CG 3.97Å
331	L	96.7	Very high	92	Very high	7 Å²	7	46.9 Å²	46.9	4%	0.037	23%	0.228	C	C	.	.			trans	-63.5	151.3	175.1	-63.9	-170	0	0	0	110.7	F325 L329 C347 F372 Y380	F325-L331 HydrophobicContact CB-CD1 4.01Å; L329-L331 HydrophobicContact CB-CD2 4.31Å; L329-L331 HydrophobicContact CB-CG 4.01Å; L329-L331 PolarHBondContact O-N 2.73Å; L329-L331 VanDerWaalsContact O-N 3.13Å; L331-C347 HydrophobicContact CB-CB 4.04Å; L331-C347 HydrophobicContact CD1-CB 4.27Å; L331-F372 HydrophobicContact CD1-CZ 4.5Å; L331-F372 HydrophobicContact CD2-CZ 4.1Å; L331-Y380 HydrophobicContact CD2-CD1 4.4Å; L331-Y380 HydrophobicContact CD2-CD2 4.2Å; L331-Y380 HydrophobicContact CD2-CE1 3.96Å; L331-Y380 HydrophobicContact CD2-CE2 3.75Å
332	R	96.6	Very high	91.5	Very high	76 Å²	76	47.4 Å²	47.4	29%	0.287	23%	0.233	S	C	.	.			trans	-78.5	151.6	170.7	-65.5	-177.1	177.9	87.4	-1.1	108.8	G334 C347	R332-G334 VanDerWaalsContact C-N 3.3Å; R332-G334 PolarHBondContact O-N 3.06Å; R332-C347 WeakPolarHBondContact O-CB 3.33Å; R332-C347 PolarHBondContact O-N 3.05Å
333	A	93.2	Very high	91.2	Very high	12 Å²	12	51.7 Å²	51.7	10%	0.099	26%	0.255	C	S	.	.			trans	-53.3	-44.1	180	0	0	0	0	0	113.1	C347 C348 T413 A429	A333-C347 PolarHBondContact O-N 2.85Å; A333-C348 VanDerWaalsContact O-CB 3.28Å; A333-C348 WeakPolarHBondContact O-CB 3.24Å; A333-C348 PolarHBondContact O-N 3.03Å; A333-C348 PolarHBondContact O-SG 3.5Å; A333-T413 HydrophobicContact CB-CG2 3.8Å; A333-A429 HydrophobicContact CB-CB 3.75Å
334	G	89.3	Confident	91	Very high	15 Å²	15	52.6 Å²	52.6	16%	0.155	26%	0.261	C	S	.	.			trans	78.1	90.5	179.3	0	0	0	0	0	112.1	R332 G346 T413	R332-G334 VanDerWaalsContact C-N 3.3Å; R332-G334 PolarHBondContact O-N 3.06Å; G334-G346 VanDerWaalsContact CA-CA 3.49Å; G334-T413 VanDerWaalsContact C-CG2 3.46Å; G334-T413 WeakPolarHBondContact O-CG2 3.24Å
335	N	86.9	Confident	90.9	Very high	100 Å²	100	52.4 Å²	52.4	54%	0.535	26%	0.262	S	S	.	.			trans	-79.2	149.1	172.4	-64.8	8.7	0	0	0	108.9	T413	N335-T413 WeakPolarHBondContact OD1-CG2 3.11Å; N335-T413 PolarHBondContact OD1-OG1 3.15Å
336	E	80	Confident	90.8	Very high	147 Å²	147	52.6 Å²	52.6	69%	0.687	26%	0.264	S	S	*	.			trans	-52.4	147.7	168.9	-73.8	164	-143.2	0	0	111.3
337	K	81.5	Confident	90.8	Very high	101 Å²	101	52.6 Å²	52.6	44%	0.439	26%	0.264	S	S	.	.			trans	-123.5	134	-174	-67.9	-68.8	175.8	-168.5	0	108.7	Q341	K337-Q341 HydrophobicContact CD-CB 4.32Å
338	D	78.9	Confident	90.7	Very high	110 Å²	110	52.9 Å²	52.9	59%	0.588	27%	0.266	S	S	*	.			trans	-70.4	155.2	169.8	-50.8	-55.6	0	0	0	109.9	D340 Q341	D338-D340 WeakPolarHBondContact CB-OD1 3.34Å; D338-D340 PolarHBondContact O-N 2.85Å; D338-Q341 PolarHBondContact O-N 3.27Å; D338-Q341 VanDerWaalsContact O-N 3.1Å; D338-Q341 PolarHBondContact OD2-NE2 3.35Å
339	E	78.4	Confident	90.7	Very high	200 Å²	200	49.4 Å²	49.4	94%	0.935	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-15.1	178.1	-63.1	-178.5	174.5	0	0	113.5	Q341	E339-Q341 VanDerWaalsContact C-N 3.32Å
340	D	84.3	Confident	90.8	Very high	53 Å²	53	48.6 Å²	48.6	28%	0.283	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	4.2	-178.2	86.9	-24.6	0	0	0	114	H211 P212 K213 D338	H211-D340 PolarHBondContact CE1-O 2.96Å; P212-D340 VanDerWaalsContact CG-C 3.46Å; P212-D340 WeakPolarHBondContact CG-O 3.39Å; K213-D340 WeakPolarHBondContact CE-OD2 3.35Å; K213-D340 IonicContact NZ-OD2 3.96Å; K213-D340 PolarHBondContact NZ-OD2 2.96Å; D338-D340 WeakPolarHBondContact CB-OD1 3.34Å; D338-D340 PolarHBondContact O-N 2.85Å
341	Q	87.2	Confident	90.8	Very high	37 Å²	37	50.1 Å²	50.1	17%	0.173	25%	0.253	C	S	.	.	S	Bend	trans	-111.1	163.5	178.2	-51.3	-170.8	12.5	0	0	111.2	P212 K337 D338 E339 D343	P212-Q341 WeakPolarHBondContact CD-O 3.32Å; K337-Q341 HydrophobicContact CD-CB 4.32Å; D338-Q341 PolarHBondContact O-N 3.27Å; D338-Q341 VanDerWaalsContact O-N 3.1Å; D338-Q341 PolarHBondContact OD2-NE2 3.35Å; E339-Q341 VanDerWaalsContact C-N 3.32Å; Q341-D343 PolarHBondContact O-N 3.48Å
342	A	89.4	Confident	90.9	Very high	11 Å²	11	50.6 Å²	50.6	9%	0.091	26%	0.256	C	S	.	.			trans	-65.9	130.9	171.1	0	0	0	0	0	109.8	H211 T344	H211-A342 HydrophobicContact CB-CB 4.22Å; A342-T344 HydrophobicContact CB-CG2 4.44Å; A342-T344 PolarHBondContact O-N 3.09Å; A342-T344 PolarHBondContact O-OG1 3.13Å
343	D	92.1	Very high	90.9	Very high	90 Å²	90	50.9 Å²	50.9	48%	0.481	26%	0.261	S	S	.	.			trans	-63.9	101.5	177.4	-175.8	25.2	0	0	0	109.8	Q341 R351 P373	Q341-D343 PolarHBondContact O-N 3.48Å; D343-R351 IonicContact OD1-CZ 2.72Å; D343-R351 IonicContact OD1-NH1 2.84Å; D343-R351 PolarHBondContact OD1-NH1 3.25Å; D343-R351 IonicContact OD1-NH2 3.59Å; D343-R351 PolarHBondContact OD1-NH2 3.25Å; D343-R351 IonicContact OD2-CZ 2.83Å; D343-R351 IonicContact OD2-NH1 3.19Å; D343-R351 IonicContact OD2-NH2 2.89Å; D343-R351 PolarHBondContact OD2-NH2 3.47Å; D343-P373 WeakPolarHBondContact O-CG 3.3Å
344	T	93.8	Very high	91.2	Very high	22 Å²	22	50.8 Å²	50.8	14%	0.135	26%	0.258	C	S	.	.			trans	-142.9	135.5	-178.8	54	0	0	0	0	108.2	A342 P373 G374 S377	A342-T344 HydrophobicContact CB-CG2 4.44Å; A342-T344 PolarHBondContact O-N 3.09Å; A342-T344 PolarHBondContact O-OG1 3.13Å; T344-P373 CarbonylContact C-O 3.52Å; T344-P373 VanDerWaalsContact CA-O 3.26Å; T344-P373 WeakPolarHBondContact CA-O 3.38Å; T344-P373 HydrophobicContact CG2-CB 4.5Å; T344-G374 WeakPolarHBondContact CB-O 3.24Å; T344-G374 WeakPolarHBondContact CG2-O 3.42Å; T344-S377 WeakPolarHBondContact CG2-OG 3.34Å
345	V	95.6	Very high	91.6	Very high	12 Å²	12	50.2 Å²	50.2	7%	0.073	25%	0.252	C	S	.	.			trans	-118.5	160.3	-172.9	-60.6	0	0	0	0	112.4	S349 L350 F372 P373	V345-S349 WeakPolarHBondContact CA-OG 3.48Å; V345-S349 WeakPolarHBondContact CB-O 3.45Å; V345-S349 WeakPolarHBondContact CB-OG 3.35Å; V345-S349 WeakPolarHBondContact CG1-O 3.38Å; V345-L350 HydrophobicContact CG2-CD2 4.04Å; V345-F372 HydrophobicContact CG2-CB 3.71Å; V345-F372 HydrophobicContact CG2-CD2 3.35Å; V345-F372 HydrophobicContact CG2-CE2 4.13Å; V345-F372 HydrophobicContact CG2-CG 3.72Å; V345-P373 PolarHBondContact N-O 2.62Å
346	G	96.5	Very high	92.1	Very high	4 Å²	4	50.5 Å²	50.5	4%	0.041	25%	0.25	C	C	.	.			trans	-130.2	-168.1	163.1	0	0	0	0	0	110	G334 C348 S349 L350	G334-G346 VanDerWaalsContact CA-CA 3.49Å; G346-C348 PolarHBondContact O-N 2.91Å; G346-S349 PolarHBondContact N-OG 3.3Å; G346-S349 CarbonylContact O-C 3.56Å; G346-S349 PolarHBondContact O-N 3.18Å; G346-S349 VanDerWaalsContact O-N 3.08Å; G346-S349 PolarHBondContact O-OG 3.12Å; G346-L350 WeakPolarHBondContact O-CG 3.27Å; G346-L350 PolarHBondContact O-N 3.36Å; G346-L350 VanDerWaalsContact O-N 3.11Å
347	C	97.7	Very high	93	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-53.5	-51.7	-169.2	-170.8	0	0	0	0	114.1	A322 I326 L331 R332 A333 S349 F408	A322-C347 PolarHBondContact O-SG 2.72Å; I326-C347 HydrophobicContact CD1-CB 4.04Å; I326-C347 HydrophobicContact CG1-CB 3.79Å; L331-C347 HydrophobicContact CB-CB 4.04Å; L331-C347 HydrophobicContact CD1-CB 4.27Å; R332-C347 WeakPolarHBondContact O-CB 3.33Å; R332-C347 PolarHBondContact O-N 3.05Å; A333-C347 PolarHBondContact O-N 2.85Å; C347-S349 VanDerWaalsContact C-N 3.26Å; C347-S349 PolarHBondContact O-N 3.12Å; C347-F408 WeakPolarHBondContact O-CD2 3.46Å; C347-F408 WeakPolarHBondContact O-CE2 3.37Å
348	C	97.1	Very high	93.8	Very high	7 Å²	7	43.6 Å²	43.6	5%	0.047	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-75.4	-14.1	-177.2	-62	0	0	0	0	113.3	A333 G346 T413	A333-C348 VanDerWaalsContact O-CB 3.28Å; A333-C348 WeakPolarHBondContact O-CB 3.24Å; A333-C348 PolarHBondContact O-N 3.03Å; A333-C348 PolarHBondContact O-SG 3.5Å; G346-C348 PolarHBondContact O-N 2.91Å; C348-T413 HydrophobicContact CB-CG2 3.86Å
349	S	96.9	Very high	94.6	Very high	13 Å²	13	45.7 Å²	45.7	9%	0.091	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-112.9	21.3	-179.9	75.7	0	0	0	0	111.4	V345 G346 C347	V345-S349 WeakPolarHBondContact CA-OG 3.48Å; V345-S349 WeakPolarHBondContact CB-O 3.45Å; V345-S349 WeakPolarHBondContact CB-OG 3.35Å; V345-S349 WeakPolarHBondContact CG1-O 3.38Å; G346-S349 PolarHBondContact N-OG 3.3Å; G346-S349 CarbonylContact O-C 3.56Å; G346-S349 PolarHBondContact O-N 3.18Å; G346-S349 VanDerWaalsContact O-N 3.08Å; G346-S349 PolarHBondContact O-OG 3.12Å; C347-S349 VanDerWaalsContact C-N 3.26Å; C347-S349 PolarHBondContact O-N 3.12Å
350	L	97.8	Very high	95.5	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.212	C	C	.	.			trans	-66.7	149.2	172.2	-75.8	174.9	0	0	0	109	V345 G346 H354 F370 F372 L407 F408	V345-L350 HydrophobicContact CG2-CD2 4.04Å; G346-L350 WeakPolarHBondContact O-CG 3.27Å; G346-L350 PolarHBondContact O-N 3.36Å; G346-L350 VanDerWaalsContact O-N 3.11Å; L350-H354 HydrophobicContact CD2-CB 4.02Å; L350-F370 HydrophobicContact CD1-CD1 4.36Å; L350-F370 HydrophobicContact CD1-CE1 4.04Å; L350-F372 HydrophobicContact CD2-CD1 3.64Å; L350-F372 HydrophobicContact CD2-CD2 4.36Å; L350-F372 HydrophobicContact CD2-CE1 3.7Å; L350-F372 HydrophobicContact CD2-CE2 4.4Å; L350-F372 HydrophobicContact CD2-CG 3.99Å; L350-F372 HydrophobicContact CD2-CZ 4.09Å; L350-L407 HydrophobicContact CB-CB 4.14Å; L350-L407 HydrophobicContact CB-CD2 4.07Å; L350-L407 HydrophobicContact CD1-CD2 4.3Å; L350-L407 WeakPolarHBondContact O-CB 3.28Å; L350-L407 PolarHBondContact O-N 3.14Å; L350-F408 HydrophobicContact CD1-CE2 4.37Å
351	R	97.8	Very high	96	Very high	35 Å²	35	42.6 Å²	42.6	13%	0.132	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-120	162	179.9	-62.9	-175.6	-61.6	-106.5	8.1	108.4	D343 E353 H354 G404 D405	D343-R351 IonicContact OD1-CZ 2.72Å; D343-R351 IonicContact OD1-NH1 2.84Å; D343-R351 PolarHBondContact OD1-NH1 3.25Å; D343-R351 IonicContact OD1-NH2 3.59Å; D343-R351 PolarHBondContact OD1-NH2 3.25Å; D343-R351 IonicContact OD2-CZ 2.83Å; D343-R351 IonicContact OD2-NH1 3.19Å; D343-R351 IonicContact OD2-NH2 2.89Å; D343-R351 PolarHBondContact OD2-NH2 3.47Å; R351-E353 HydrophobicContact CB-CG 4.2Å; R351-E353 IonicContact CZ-OE1 3.05Å; R351-E353 VanDerWaalsContact CZ-OE1 3.29Å; R351-E353 IonicContact NE-OE1 3.68Å; R351-E353 PolarHBondContact NE-OE1 3.4Å; R351-E353 IonicContact NH2-OE1 3.53Å; R351-E353 PolarHBondContact NH2-OE1 3.14Å; R351-E353 PolarHBondContact O-N 3.24Å; R351-H354 PolarHBondContact N-ND1 3.03Å; R351-H354 VanDerWaalsContact N-ND1 3.17Å; R351-H354 PolarHBondContact NE-CE1 3.05Å; R351-H354 PolarHBondContact NH2-CE1 3.13Å; R351-H354 PolarHBondContact NH2-NE2 3.07Å; R351-H354 WeakPolarHBondContact O-CB 3.42Å; R351-H354 PolarHBondContact O-N 2.79Å; R351-G404 VanDerWaalsContact CD-O 3.28Å; R351-G404 WeakPolarHBondContact CD-O 3.26Å; R351-D405 CarbonylContact C-O 3.59Å; R351-D405 WeakPolarHBondContact CA-O 3.42Å; R351-D405 WeakPolarHBondContact CB-O 3.42Å
352	V	98	Very high	96.3	Very high	17 Å²	17	46.8 Å²	46.8	10%	0.103	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-55	-40.8	-178.1	174.8	0	0	0	0	111.8	H354 V355 M398 K401 D405	V352-H354 PolarHBondContact O-N 2.89Å; V352-H354 VanDerWaalsContact O-N 3.14Å; V352-V355 PolarHBondContact O-N 3.2Å; V352-M398 HydrophobicContact CG1-CE 3.68Å; V352-M398 HydrophobicContact CG1-CG 4.4Å; V352-M398 HydrophobicContact CG2-CG 4.48Å; V352-K401 HydrophobicContact CG2-CB 3.75Å; V352-K401 HydrophobicContact CG2-CD 4.02Å; V352-D405 HydrophobicContact CG2-CB 4.46Å; V352-D405 PolarHBondContact N-O 3.41Å
353	E	97.4	Very high	96.5	Very high	82 Å²	82	49.7 Å²	49.7	38%	0.383	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-62.3	-20.4	179.5	69.3	-168.7	169	0	0	114.5	R351 V355 E403	R351-E353 HydrophobicContact CB-CG 4.2Å; R351-E353 IonicContact CZ-OE1 3.05Å; R351-E353 VanDerWaalsContact CZ-OE1 3.29Å; R351-E353 IonicContact NE-OE1 3.68Å; R351-E353 PolarHBondContact NE-OE1 3.4Å; R351-E353 IonicContact NH2-OE1 3.53Å; R351-E353 PolarHBondContact NH2-OE1 3.14Å; R351-E353 PolarHBondContact O-N 3.24Å; E353-V355 VanDerWaalsContact C-N 3.32Å; E353-E403 HydrophobicContact CB-CB 4.24Å; E353-E403 HydrophobicContact CB-CG 4.17Å
354	H	98.3	Very high	96.6	Very high	10 Å²	10	50.1 Å²	50.1	5%	0.046	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-84.7	-6.6	-176.4	-63.6	141.3	0	0	0	113.9	L350 R351 V352 F370 D371 F372	L350-H354 HydrophobicContact CD2-CB 4.02Å; R351-H354 PolarHBondContact N-ND1 3.03Å; R351-H354 VanDerWaalsContact N-ND1 3.17Å; R351-H354 PolarHBondContact NE-CE1 3.05Å; R351-H354 PolarHBondContact NH2-CE1 3.13Å; R351-H354 PolarHBondContact NH2-NE2 3.07Å; R351-H354 WeakPolarHBondContact O-CB 3.42Å; R351-H354 PolarHBondContact O-N 2.79Å; V352-H354 PolarHBondContact O-N 2.89Å; V352-H354 VanDerWaalsContact O-N 3.14Å; H354-F370 WeakPolarHBondContact O-CA 3.32Å; H354-D371 PolarHBondContact O-N 3.17Å; H354-F372 HydrophobicContact CB-CB 3.95Å; H354-F372 HydrophobicContact CB-CD1 4.43Å; H354-F372 VanDerWaalsContact CD2-CB 3.41Å; H354-F372 WeakPolarHBondContact CD2-CB 3.38Å
355	V	97.8	Very high	96.7	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.018	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	128.3	-172	-179.2	0	0	0	0	110.6	V352 E353 L357 V368 V369 F370 M398 L407	V352-V355 PolarHBondContact O-N 3.2Å; E353-V355 VanDerWaalsContact C-N 3.32Å; V355-L357 HydrophobicContact CG1-CD2 3.94Å; V355-V368 HydrophobicContact CG1-CG1 3.41Å; V355-V368 VanDerWaalsContact CG1-CG1 3.41Å; V355-V369 CarbonylContact C-O 3.14Å; V355-V369 WeakPolarHBondContact CA-O 3.48Å; V355-F370 HydrophobicContact CG2-CD1 3.84Å; V355-F370 HydrophobicContact CG2-CE1 3.88Å; V355-M398 WeakPolarHBondContact O-CE 3.21Å; V355-L407 HydrophobicContact CG2-CD2 3.92Å
356	Q	98	Very high	96.8	Very high	107 Å²	107	55.9 Å²	55.9	50%	0.5	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	137.2	172.2	-54.1	176.1	12.3	0	0	109.9	V368 V369	Q356-V368 WeakPolarHBondContact O-CA 3.42Å; Q356-V369 HydrophobicContact CB-CB 4.2Å; Q356-V369 PolarHBondContact N-O 3.39Å; Q356-V369 PolarHBondContact O-N 3.13Å
357	L	98.2	Very high	96.9	Very high	44 Å²	44	55.8 Å²	55.8	23%	0.23	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	119.4	-175.8	-57.8	-175.2	0	0	0	110.2	V355 V368 F391 L394 E395 M398	V355-L357 HydrophobicContact CG1-CD2 3.94Å; L357-V368 HydrophobicContact CD2-CB 4.46Å; L357-V368 HydrophobicContact CD2-CG1 4.1Å; L357-V368 HydrophobicContact CD2-CG2 3.89Å; L357-F391 HydrophobicContact CB-CE1 4.47Å; L357-F391 HydrophobicContact CB-CE2 3.8Å; L357-F391 HydrophobicContact CB-CZ 3.66Å; L357-F391 HydrophobicContact CD2-CD2 4.44Å; L357-F391 HydrophobicContact CD2-CE2 4.25Å; L357-L394 HydrophobicContact CD1-CB 3.83Å; L357-L394 HydrophobicContact CD2-CB 3.89Å; L357-L394 HydrophobicContact CD2-CD1 3.84Å; L357-E395 HydrophobicContact CD1-CB 4.41Å; L357-E395 HydrophobicContact CD1-CG 3.78Å; L357-M398 HydrophobicContact CD1-SD 3.62Å; L357-M398 HydrophobicContact CG-SD 3.86Å
358	H	98.1	Very high	96.9	Very high	59 Å²	59	55.8 Å²	55.8	27%	0.273	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	121.9	176.5	-62.3	-97.2	0	0	0	109.9	E360 L361 N366 V367 F391	H358-E360 PolarHBondContact O-N 3.41Å; H358-L361 HydrophobicContact CB-CB 3.88Å; H358-N366 CarbonylContact O-C 3.6Å; H358-V367 HydrophobicContact CB-CB 4.36Å; H358-V367 PolarHBondContact N-O 3.39Å; H358-V367 PolarHBondContact O-N 3.29Å; H358-F391 WeakPolarHBondContact O-CE2 3.4Å
359	K	96.8	Very high	97	Very high	154 Å²	154	55.9 Å²	55.9	67%	0.67	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.5	-35.4	176.2	-70.1	-177.8	-178.6	174	0	111.8	E365 N366 F391	K359-E365 CarbonylContact O-C 3.6Å; K359-E365 VanDerWaalsContact O-CA 3.3Å; K359-E365 WeakPolarHBondContact O-CA 3.15Å; K359-N366 PolarHBondContact O-N 3.19Å; K359-F391 HydrophobicContact CG-CE1 4.1Å; K359-F391 HydrophobicContact CG-CZ 4.16Å
360	E	96.2	Very high	97.1	Very high	144 Å²	144	55.2 Å²	55.2	67%	0.673	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.4	132.6	171.3	-168.7	-178.1	157.8	0	0	109.1	H358 K364	H358-E360 PolarHBondContact O-N 3.41Å; E360-K364 CarbonylContact C-O 3.59Å; E360-K364 VanDerWaalsContact CA-O 3.27Å; E360-K364 WeakPolarHBondContact CA-O 3.4Å
361	L	95.4	Very high	97.1	Very high	43 Å²	43	57.9 Å²	57.9	23%	0.225	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	130.2	173.7	-175.5	66.4	0	0	0	109	H358 G363 K364 V367 V369	H358-L361 HydrophobicContact CB-CB 3.88Å; L361-G363 PolarHBondContact O-N 3.48Å; L361-K364 PolarHBondContact N-O 2.85Å; L361-K364 PolarHBondContact O-N 2.78Å; L361-V367 HydrophobicContact CB-CB 4Å; L361-V367 HydrophobicContact CB-CG1 4.21Å; L361-V367 HydrophobicContact CB-CG2 4.05Å; L361-V367 HydrophobicContact CD2-CG1 4Å; L361-V369 HydrophobicContact CD2-CG2 3.88Å
362	N	93.1	Very high	97.1	Very high	126 Å²	126	56.6 Å²	56.6	67%	0.674	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	37	177.5	-61.7	-34.8	0	0	0	113.8	K364 E383	N362-K364 VanDerWaalsContact C-N 3.28Å; N362-K364 PolarHBondContact O-N 3.2Å; N362-E383 PolarHBondContact ND2-OE2 3.16Å
363	G	93	Very high	97	Very high	71 Å²	71	57.8 Å²	57.8	73%	0.732	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	13	-179.4	0	0	0	0	0	115.1	L361	L361-G363 PolarHBondContact O-N 3.48Å
364	K	94.5	Very high	96.9	Very high	99 Å²	99	54.2 Å²	54.2	43%	0.43	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	145.4	173.5	-61.6	-179.8	-174.7	175.9	0	110.3	E360 L361 N362 V367 E385	E360-K364 CarbonylContact C-O 3.59Å; E360-K364 VanDerWaalsContact CA-O 3.27Å; E360-K364 WeakPolarHBondContact CA-O 3.4Å; L361-K364 PolarHBondContact N-O 2.85Å; L361-K364 PolarHBondContact O-N 2.78Å; N362-K364 VanDerWaalsContact C-N 3.28Å; N362-K364 PolarHBondContact O-N 3.2Å; K364-V367 HydrophobicContact CB-CG2 3.59Å; K364-V367 WeakPolarHBondContact O-CG2 3.45Å; K364-E385 HydrophobicContact CB-CB 4.37Å; K364-E385 HydrophobicContact CD-CB 4.12Å
365	E	96.8	Very high	96.6	Very high	129 Å²	129	58.9 Å²	58.9	60%	0.603	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	155.1	175.9	-61.2	-172.7	170.8	0	0	111.7	K359 V367 E385	K359-E365 CarbonylContact O-C 3.6Å; K359-E365 VanDerWaalsContact O-CA 3.3Å; K359-E365 WeakPolarHBondContact O-CA 3.15Å; E365-V367 PolarHBondContact O-N 3.04Å; E365-E385 WeakPolarHBondContact O-CG 3.43Å
366	N	97.6	Very high	96.3	Very high	26 Å²	26	61.7 Å²	61.7	14%	0.139	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	52.8	51.4	172.6	-48.7	-75.4	0	0	0	112.7	H358 K359 V386 F391	H358-N366 CarbonylContact O-C 3.6Å; K359-N366 PolarHBondContact O-N 3.19Å; N366-V386 WeakPolarHBondContact O-CG2 3.31Å; N366-V386 PolarHBondContact O-N 3.25Å; N366-V386 VanDerWaalsContact O-N 3.08Å; N366-F391 VanDerWaalsContact C-CD2 3.48Å; N366-F391 HydrophobicContact CB-CB 3.87Å; N366-F391 HydrophobicContact CB-CD2 3.77Å; N366-F391 HydrophobicContact CB-CE2 4.48Å; N366-F391 HydrophobicContact CB-CG 3.85Å
367	V	98.3	Very high	96.1	Very high	3 Å²	3	58.4 Å²	58.4	2%	0.018	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	130	-176.5	-178.9	0	0	0	0	110.8	H358 L361 K364 E365 V369 E383 V384	H358-V367 HydrophobicContact CB-CB 4.36Å; H358-V367 PolarHBondContact N-O 3.39Å; H358-V367 PolarHBondContact O-N 3.29Å; L361-V367 HydrophobicContact CB-CB 4Å; L361-V367 HydrophobicContact CB-CG1 4.21Å; L361-V367 HydrophobicContact CB-CG2 4.05Å; L361-V367 HydrophobicContact CD2-CG1 4Å; K364-V367 HydrophobicContact CB-CG2 3.59Å; K364-V367 WeakPolarHBondContact O-CG2 3.45Å; E365-V367 PolarHBondContact O-N 3.04Å; V367-V369 HydrophobicContact CG1-CG2 4.45Å; V367-E383 HydrophobicContact CG1-CB 4.29Å; V367-V384 WeakPolarHBondContact CA-O 3.24Å
368	V	98.4	Very high	95.9	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	118.3	174.3	-174.8	0	0	0	0	108.3	V355 Q356 L357 F370 V384 V386 F391 L394	V355-V368 HydrophobicContact CG1-CG1 3.41Å; V355-V368 VanDerWaalsContact CG1-CG1 3.41Å; Q356-V368 WeakPolarHBondContact O-CA 3.42Å; L357-V368 HydrophobicContact CD2-CB 4.46Å; L357-V368 HydrophobicContact CD2-CG1 4.1Å; L357-V368 HydrophobicContact CD2-CG2 3.89Å; V368-F370 HydrophobicContact CB-CE2 4.03Å; V368-F370 HydrophobicContact CB-CZ 4.46Å; V368-F370 HydrophobicContact CG1-CD2 4.11Å; V368-F370 HydrophobicContact CG1-CE1 4.24Å; V368-F370 HydrophobicContact CG1-CE2 3.55Å; V368-F370 HydrophobicContact CG1-CZ 3.63Å; V368-V384 PolarHBondContact N-O 3.41Å; V368-V384 PolarHBondContact O-N 2.79Å; V368-V386 HydrophobicContact CB-CG1 4.18Å; V368-V386 HydrophobicContact CG2-CB 4.29Å; V368-V386 HydrophobicContact CG2-CG1 3.72Å; V368-V386 HydrophobicContact CG2-CG2 3.55Å; V368-F391 HydrophobicContact CG2-CD2 4.15Å; V368-L394 HydrophobicContact CG1-CD1 4.18Å; V368-L394 HydrophobicContact CG2-CD1 3.62Å
369	V	98.4	Very high	95.8	Very high	8 Å²	8	62.4 Å²	62.4	5%	0.048	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	118.5	174.8	-174.7	0	0	0	0	108	V355 Q356 L361 V367 Y381 N382 E383	V355-V369 CarbonylContact C-O 3.14Å; V355-V369 WeakPolarHBondContact CA-O 3.48Å; Q356-V369 HydrophobicContact CB-CB 4.2Å; Q356-V369 PolarHBondContact N-O 3.39Å; Q356-V369 PolarHBondContact O-N 3.13Å; L361-V369 HydrophobicContact CD2-CG2 3.88Å; V367-V369 HydrophobicContact CG1-CG2 4.45Å; V369-Y381 HydrophobicContact CG1-CE2 3.93Å; V369-N382 WeakPolarHBondContact CA-O 3.42Å; V369-E383 HydrophobicContact CG1-CG 4.26Å; V369-E383 HydrophobicContact CG2-CG 4.11Å
370	F	98.5	Very high	95.9	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	131.5	173	-66.8	-86.6	0	0	0	109.5	F325 L329 L350 H354 V355 V368 F372 Y380 Y381 N382 V384	F325-F370 HydrophobicContact CD1-CZ 4.16Å; F325-F370 HydrophobicContact CD2-CE1 4.3Å; F325-F370 HydrophobicContact CD2-CZ 4.2Å; F325-F370 AromaticContact CE1-CZ 3.82Å; F325-F370 HydrophobicContact CE1-CZ 3.82Å; F325-F370 HydrophobicContact CE2-CE1 4Å; F325-F370 AromaticContact CE2-CZ 3.84Å; F325-F370 HydrophobicContact CE2-CZ 3.84Å; F325-F370 HydrophobicContact CG-CZ 4.35Å; F325-F370 HydrophobicContact CZ-CE1 4.24Å; F325-F370 AromaticContact CZ-CZ 3.65Å; F325-F370 HydrophobicContact CZ-CZ 3.65Å; L329-F370 HydrophobicContact CD1-CD2 4.19Å; L329-F370 HydrophobicContact CD1-CE2 3.58Å; L329-F370 HydrophobicContact CD1-CZ 3.99Å; L350-F370 HydrophobicContact CD1-CD1 4.36Å; L350-F370 HydrophobicContact CD1-CE1 4.04Å; H354-F370 WeakPolarHBondContact O-CA 3.32Å; V355-F370 HydrophobicContact CG2-CD1 3.84Å; V355-F370 HydrophobicContact CG2-CE1 3.88Å; V368-F370 HydrophobicContact CB-CE2 4.03Å; V368-F370 HydrophobicContact CB-CZ 4.46Å; V368-F370 HydrophobicContact CG1-CD2 4.11Å; V368-F370 HydrophobicContact CG1-CE1 4.24Å; V368-F370 HydrophobicContact CG1-CE2 3.55Å; V368-F370 HydrophobicContact CG1-CZ 3.63Å; F370-F372 HydrophobicContact CB-CD1 4.31Å; F370-F372 HydrophobicContact CB-CE1 4.08Å; F370-F372 HydrophobicContact CD1-CE1 4.13Å; F370-F372 HydrophobicContact CG-CE1 4.49Å; F370-Y380 HydrophobicContact CB-CD1 3.85Å; F370-Y380 HydrophobicContact CB-CE1 3.76Å; F370-Y380 HydrophobicContact CG-CE1 4.18Å; F370-Y381 CarbonylContact O-C 3.41Å; F370-Y381 VanDerWaalsContact O-CA 3.24Å; F370-Y381 WeakPolarHBondContact O-CA 3.35Å; F370-N382 PolarHBondContact N-O 3.42Å; F370-N382 PolarHBondContact O-N 2.81Å; F370-V384 HydrophobicContact CD2-CG2 4.36Å; F370-V384 HydrophobicContact CE2-CB 4.49Å; F370-V384 HydrophobicContact CE2-CG2 4.4Å
371	D	98.2	Very high	95.9	Very high	55 Å²	55	54.2 Å²	54.2	29%	0.294	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	104.7	170.9	-166.2	1.9	0	0	0	110.9	H354 R379 Y380 Y381	H354-D371 PolarHBondContact O-N 3.17Å; D371-R379 IonicContact OD1-CZ 3.91Å; D371-R379 IonicContact OD1-NE 3.16Å; D371-R379 PolarHBondContact OD1-NE 3.12Å; D371-R379 IonicContact OD1-NH2 2.74Å; D371-R379 PolarHBondContact OD1-NH2 2.82Å; D371-R379 IonicContact OD2-CZ 3.48Å; D371-R379 IonicContact OD2-NE 3.44Å; D371-R379 PolarHBondContact OD2-NE 3.11Å; D371-R379 IonicContact OD2-NH2 2.71Å; D371-R379 PolarHBondContact OD2-NH2 2.81Å; D371-Y380 VanDerWaalsContact CA-O 3.31Å; D371-Y380 WeakPolarHBondContact CA-O 3.36Å; D371-Y381 HydrophobicContact CB-CD2 4.13Å
372	F	97.3	Very high	96	Very high	8 Å²	8	54.9 Å²	54.9	4%	0.035	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	155.2	-178.6	62.1	-93	0	0	0	113.6	L331 V345 L350 H354 F370 G374 Y380	L331-F372 HydrophobicContact CD1-CZ 4.5Å; L331-F372 HydrophobicContact CD2-CZ 4.1Å; V345-F372 HydrophobicContact CG2-CB 3.71Å; V345-F372 HydrophobicContact CG2-CD2 3.35Å; V345-F372 HydrophobicContact CG2-CE2 4.13Å; V345-F372 HydrophobicContact CG2-CG 3.72Å; L350-F372 HydrophobicContact CD2-CD1 3.64Å; L350-F372 HydrophobicContact CD2-CD2 4.36Å; L350-F372 HydrophobicContact CD2-CE1 3.7Å; L350-F372 HydrophobicContact CD2-CE2 4.4Å; L350-F372 HydrophobicContact CD2-CG 3.99Å; L350-F372 HydrophobicContact CD2-CZ 4.09Å; H354-F372 HydrophobicContact CB-CB 3.95Å; H354-F372 HydrophobicContact CB-CD1 4.43Å; H354-F372 VanDerWaalsContact CD2-CB 3.41Å; H354-F372 WeakPolarHBondContact CD2-CB 3.38Å; F370-F372 HydrophobicContact CB-CD1 4.31Å; F370-F372 HydrophobicContact CB-CE1 4.08Å; F370-F372 HydrophobicContact CD1-CE1 4.13Å; F370-F372 HydrophobicContact CG-CE1 4.49Å; F372-G374 PolarHBondContact O-N 2.86Å; F372-Y380 HydrophobicContact CD1-CD1 4.18Å; F372-Y380 AromaticContact CE1-CD1 3.39Å; F372-Y380 HydrophobicContact CE1-CD1 3.39Å; F372-Y380 HydrophobicContact CE1-CE1 4.15Å; F372-Y380 AromaticContact CE1-CG 3.96Å; F372-Y380 HydrophobicContact CE1-CG 3.96Å; F372-Y380 HydrophobicContact CE2-CG 4.34Å; F372-Y380 AromaticContact CZ-CD1 3.63Å; F372-Y380 HydrophobicContact CZ-CD1 3.63Å; F372-Y380 HydrophobicContact CZ-CE1 4.41Å; F372-Y380 AromaticContact CZ-CG 3.75Å; F372-Y380 HydrophobicContact CZ-CG 3.75Å; F372-Y380 PolarHBondContact N-O 2.84Å; F372-Y380 VanDerWaalsContact N-O 3.1Å; F372-Y380 PolarHBondContact O-N 2.97Å
373	P	96.4	Very high	96.2	Very high	43 Å²	43	52.1 Å²	52.1	28%	0.279	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	112.1	170.9	30.5	-32.9	0	0	0	110.7	D343 T344 V345	D343-P373 WeakPolarHBondContact O-CG 3.3Å; T344-P373 CarbonylContact C-O 3.52Å; T344-P373 VanDerWaalsContact CA-O 3.26Å; T344-P373 WeakPolarHBondContact CA-O 3.38Å; T344-P373 HydrophobicContact CG2-CB 4.5Å; V345-P373 PolarHBondContact N-O 2.62Å
374	G	95.4	Very high	96.3	Very high	7 Å²	7	49.8 Å²	49.8	7%	0.072	24%	0.238	C	C	.	.			trans	-83.3	-166.2	174.5	0	0	0	0	0	113.2	T344 F372 D376 S377 I378	T344-G374 WeakPolarHBondContact CB-O 3.24Å; T344-G374 WeakPolarHBondContact CG2-O 3.42Å; F372-G374 PolarHBondContact O-N 2.86Å; G374-D376 PolarHBondContact O-N 3.28Å; G374-S377 VanDerWaalsContact O-CA 3.31Å; G374-S377 WeakPolarHBondContact O-CA 3.5Å; G374-S377 PolarHBondContact O-N 2.96Å; G374-I378 WeakPolarHBondContact CA-O 3.41Å; G374-I378 PolarHBondContact N-O 3.39Å
375	K	92.9	Very high	96.5	Very high	108 Å²	108	50.1 Å²	50.1	47%	0.47	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-48.3	136.2	174.7	-179.3	-177.2	175.5	-177.2	0	111.2	S377	K375-S377 PolarHBondContact O-N 2.91Å
376	D	91.2	Very high	96.5	Very high	61 Å²	61	44.4 Å²	44.4	33%	0.326	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	65.7	19.6	-178.1	-57.7	-37.8	0	0	0	113.3	R208 G374 I378	R208-D376 IonicContact CZ-OD1 3.67Å; R208-D376 IonicContact CZ-OD2 3.9Å; R208-D376 IonicContact NE-OD1 3.78Å; R208-D376 VanDerWaalsContact NH1-CB 3.3Å; R208-D376 IonicContact NH1-OD1 2.75Å; R208-D376 PolarHBondContact NH1-OD1 3.08Å; R208-D376 IonicContact NH1-OD2 2.73Å; R208-D376 PolarHBondContact NH1-OD2 2.85Å; G374-D376 PolarHBondContact O-N 3.28Å; D376-I378 HydrophobicContact CB-CD1 4.41Å; D376-I378 HydrophobicContact CB-CG1 4.33Å; D376-I378 PolarHBondContact O-N 3.19Å
377	S	93.5	Very high	96.5	Very high	38 Å²	38	46.2 Å²	46.2	27%	0.266	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	58.9	28.6	-176.1	-51	0	0	0	0	113.4	G209 T344 G374 K375 R379	G209-S377 WeakPolarHBondContact CA-OG 3.42Å; T344-S377 WeakPolarHBondContact CG2-OG 3.34Å; G374-S377 VanDerWaalsContact O-CA 3.31Å; G374-S377 WeakPolarHBondContact O-CA 3.5Å; G374-S377 PolarHBondContact O-N 2.96Å; K375-S377 PolarHBondContact O-N 2.91Å; S377-R379 PolarHBondContact O-N 2.95Å
378	I	94.3	Very high	96.5	Very high	50 Å²	50	52.4 Å²	52.4	26%	0.256	25%	0.249	S	C	.	.			trans	-79.8	117.6	172.9	-61.4	176.1	0	0	0	107.7	G374 D376 Y380 Q476	G374-I378 WeakPolarHBondContact CA-O 3.41Å; G374-I378 PolarHBondContact N-O 3.39Å; D376-I378 HydrophobicContact CB-CD1 4.41Å; D376-I378 HydrophobicContact CB-CG1 4.33Å; D376-I378 PolarHBondContact O-N 3.19Å; I378-Y380 PolarHBondContact O-N 3.29Å; I378-Q476 HydrophobicContact CG2-CB 4.02Å; I378-Q476 HydrophobicContact CG2-CG 4.4Å
379	R	96.4	Very high	96.4	Very high	137 Å²	137	59.2 Å²	59.2	52%	0.517	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	131.3	176	-171.3	178.6	179.3	-161.3	-0.3	110.4	D371 S377 N474	D371-R379 IonicContact OD1-CZ 3.91Å; D371-R379 IonicContact OD1-NE 3.16Å; D371-R379 PolarHBondContact OD1-NE 3.12Å; D371-R379 IonicContact OD1-NH2 2.74Å; D371-R379 PolarHBondContact OD1-NH2 2.82Å; D371-R379 IonicContact OD2-CZ 3.48Å; D371-R379 IonicContact OD2-NE 3.44Å; D371-R379 PolarHBondContact OD2-NE 3.11Å; D371-R379 IonicContact OD2-NH2 2.71Å; D371-R379 PolarHBondContact OD2-NH2 2.81Å; S377-R379 PolarHBondContact O-N 2.95Å; R379-N474 PolarHBondContact O-ND2 2.93Å
380	Y	97.7	Very high	96.4	Very high	18 Å²	18	58.8 Å²	58.8	7%	0.071	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	107	167.2	-176.4	-87.3	0	0	0	106.9	L331 F370 D371 F372 I378 N382 N474	L331-Y380 HydrophobicContact CD2-CD1 4.4Å; L331-Y380 HydrophobicContact CD2-CD2 4.2Å; L331-Y380 HydrophobicContact CD2-CE1 3.96Å; L331-Y380 HydrophobicContact CD2-CE2 3.75Å; F370-Y380 HydrophobicContact CB-CD1 3.85Å; F370-Y380 HydrophobicContact CB-CE1 3.76Å; F370-Y380 HydrophobicContact CG-CE1 4.18Å; D371-Y380 VanDerWaalsContact CA-O 3.31Å; D371-Y380 WeakPolarHBondContact CA-O 3.36Å; F372-Y380 HydrophobicContact CD1-CD1 4.18Å; F372-Y380 AromaticContact CE1-CD1 3.39Å; F372-Y380 HydrophobicContact CE1-CD1 3.39Å; F372-Y380 HydrophobicContact CE1-CE1 4.15Å; F372-Y380 AromaticContact CE1-CG 3.96Å; F372-Y380 HydrophobicContact CE1-CG 3.96Å; F372-Y380 HydrophobicContact CE2-CG 4.34Å; F372-Y380 AromaticContact CZ-CD1 3.63Å; F372-Y380 HydrophobicContact CZ-CD1 3.63Å; F372-Y380 HydrophobicContact CZ-CE1 4.41Å; F372-Y380 AromaticContact CZ-CG 3.75Å; F372-Y380 HydrophobicContact CZ-CG 3.75Å; F372-Y380 PolarHBondContact N-O 2.84Å; F372-Y380 VanDerWaalsContact N-O 3.1Å; F372-Y380 PolarHBondContact O-N 2.97Å; I378-Y380 PolarHBondContact O-N 3.29Å; Y380-N382 HydrophobicContact CD1-CB 4.4Å; Y380-N382 HydrophobicContact CE1-CB 3.61Å; Y380-N382 PolarHBondContact OH-ND2 2.9Å; Y380-N474 HydrophobicContact CD2-CB 3.77Å; Y380-N474 HydrophobicContact CE2-CB 4.18Å
381	Y	97.3	Very high	96.4	Very high	108 Å²	108	59 Å²	59	42%	0.424	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	126.3	171	-178.4	-89.3	0	0	0	108.5	V369 F370 D371 E383	V369-Y381 HydrophobicContact CG1-CE2 3.93Å; F370-Y381 CarbonylContact O-C 3.41Å; F370-Y381 VanDerWaalsContact O-CA 3.24Å; F370-Y381 WeakPolarHBondContact O-CA 3.35Å; D371-Y381 HydrophobicContact CB-CD2 4.13Å; Y381-E383 HydrophobicContact CE1-CG 3.99Å; Y381-E383 PolarHBondContact OH-OE1 2.84Å
382	N	96.4	Very high	96.4	Very high	58 Å²	58	60.9 Å²	60.9	31%	0.31	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	138.5	176.6	-159.5	9.4	0	0	0	111.7	V369 F370 Y380 V384	V369-N382 WeakPolarHBondContact CA-O 3.42Å; F370-N382 PolarHBondContact N-O 3.42Å; F370-N382 PolarHBondContact O-N 2.81Å; Y380-N382 HydrophobicContact CD1-CB 4.4Å; Y380-N382 HydrophobicContact CE1-CB 3.61Å; Y380-N382 PolarHBondContact OH-ND2 2.9Å; N382-V384 HydrophobicContact CB-CG2 4.13Å; N382-V384 VanDerWaalsContact ND2-CG2 3.27Å; N382-V384 WeakPolarHBondContact ND2-CG2 3.32Å
383	E	96.9	Very high	96.5	Very high	68 Å²	68	60.8 Å²	60.8	32%	0.318	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	110.8	174.3	-60.2	176.5	-158.2	0	0	108.2	N362 V367 V369 Y381	N362-E383 PolarHBondContact ND2-OE2 3.16Å; V367-E383 HydrophobicContact CG1-CB 4.29Å; V369-E383 HydrophobicContact CG1-CG 4.26Å; V369-E383 HydrophobicContact CG2-CG 4.11Å; Y381-E383 HydrophobicContact CE1-CG 3.99Å; Y381-E383 PolarHBondContact OH-OE1 2.84Å
384	V	96.2	Very high	96.6	Very high	21 Å²	21	58.7 Å²	58.7	13%	0.127	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	122	-169.1	-176.5	0	0	0	0	109.9	L329 V367 V368 F370 N382 V386	L329-V384 HydrophobicContact CD1-CG2 4.12Å; L329-V384 HydrophobicContact CD2-CB 4.45Å; L329-V384 HydrophobicContact CD2-CG1 3.88Å; L329-V384 HydrophobicContact CD2-CG2 3.75Å; V367-V384 WeakPolarHBondContact CA-O 3.24Å; V368-V384 PolarHBondContact N-O 3.41Å; V368-V384 PolarHBondContact O-N 2.79Å; F370-V384 HydrophobicContact CD2-CG2 4.36Å; F370-V384 HydrophobicContact CE2-CB 4.49Å; F370-V384 HydrophobicContact CE2-CG2 4.4Å; N382-V384 HydrophobicContact CB-CG2 4.13Å; N382-V384 VanDerWaalsContact ND2-CG2 3.27Å; N382-V384 WeakPolarHBondContact ND2-CG2 3.32Å; V384-V386 HydrophobicContact CB-CG1 4.47Å; V384-V386 HydrophobicContact CG1-CG1 4Å; V384-V386 PolarHBondContact O-N 3.07Å
385	E	97.6	Very high	96.7	Very high	107 Å²	107	62.1 Å²	62.1	50%	0.5	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	121	164.3	171.4	171.2	-164.9	0	0	109.4	K364 E365	K364-E385 HydrophobicContact CB-CB 4.37Å; K364-E385 HydrophobicContact CD-CB 4.12Å; E365-E385 WeakPolarHBondContact O-CG 3.43Å
386	V	97.8	Very high	97	Very high	8 Å²	8	60.3 Å²	60.3	5%	0.048	28%	0.275	C	S	.	.			trans	-113.6	162.5	-179.3	-54.4	0	0	0	0	111.4	Y324 N366 V368 V384 K388 V390 F391	Y324-V386 HydrophobicContact CE1-CB 4.29Å; Y324-V386 HydrophobicContact CE1-CG1 4.17Å; N366-V386 WeakPolarHBondContact O-CG2 3.31Å; N366-V386 PolarHBondContact O-N 3.25Å; N366-V386 VanDerWaalsContact O-N 3.08Å; V368-V386 HydrophobicContact CB-CG1 4.18Å; V368-V386 HydrophobicContact CG2-CB 4.29Å; V368-V386 HydrophobicContact CG2-CG1 3.72Å; V368-V386 HydrophobicContact CG2-CG2 3.55Å; V384-V386 HydrophobicContact CB-CG1 4.47Å; V384-V386 HydrophobicContact CG1-CG1 4Å; V384-V386 PolarHBondContact O-N 3.07Å; V386-K388 PolarHBondContact O-N 2.82Å; V386-V390 HydrophobicContact CB-CB 4.26Å; V386-V390 HydrophobicContact CB-CG1 4.17Å; V386-V390 HydrophobicContact CG2-CB 4.08Å; V386-V390 HydrophobicContact CG2-CG1 4.04Å; V386-F391 HydrophobicContact CG2-CB 3.88Å; V386-F391 HydrophobicContact CG2-CD2 4.33Å
387	E	97.5	Very high	97.3	Very high	65 Å²	65	57.5 Å²	57.5	30%	0.304	26%	0.26	S	S	.	.			trans	-62.2	138.1	175.7	-60.4	-171.2	-138.9	0	0	110.5	R306 W309 R389 V390 F391	R306-E387 IonicContact CZ-OE1 2.73Å; R306-E387 VanDerWaalsContact CZ-OE1 3.29Å; R306-E387 IonicContact NE-OE1 3.55Å; R306-E387 PolarHBondContact NE-OE1 3.17Å; R306-E387 VanDerWaalsContact NE-OE1 3.16Å; R306-E387 IonicContact NE-OE2 3.49Å; R306-E387 IonicContact NH2-OE1 2.6Å; R306-E387 PolarHBondContact NH2-OE1 2.86Å; W309-E387 HydrophobicContact CH2-CB 4.18Å; W309-E387 VanDerWaalsContact CH2-CD 3.45Å; W309-E387 HydrophobicContact CH2-CG 4.19Å; W309-E387 WeakPolarHBondContact CH2-OE1 3.13Å; W309-E387 HydrophobicContact CZ3-CB 4.05Å; W309-E387 HydrophobicContact CZ3-CG 4.36Å; W309-E387 VanDerWaalsContact CZ3-OE2 3.24Å; W309-E387 WeakPolarHBondContact CZ3-OE2 3.49Å; E387-R389 PolarHBondContact O-N 2.82Å; E387-V390 HydrophobicContact CB-CG2 4.29Å; E387-V390 WeakPolarHBondContact O-CA 3.43Å; E387-V390 VanDerWaalsContact O-CB 3.32Å; E387-V390 WeakPolarHBondContact O-CB 3.36Å; E387-V390 PolarHBondContact O-N 3.18Å; E387-F391 PolarHBondContact O-N 3.06Å; E387-F391 VanDerWaalsContact O-N 3.12Å
388	K	97.6	Very high	97.5	Very high	132 Å²	132	57.7 Å²	57.7	57%	0.574	26%	0.257	S	S	*	.	H	α-helix	trans	-47.8	-34.7	-176.4	-175.5	173.6	-173.4	165.4	0	114.5	V386 K392	V386-K388 PolarHBondContact O-N 2.82Å; K388-K392 WeakPolarHBondContact O-CG 3.28Å; K388-K392 PolarHBondContact O-N 2.9Å; K388-K392 VanDerWaalsContact O-N 3.1Å
389	R	97.6	Very high	97.6	Very high	143 Å²	143	60.8 Å²	60.8	54%	0.54	27%	0.27	S	S	.	.	H	α-helix	trans	-71.9	-36.2	177.4	-72.1	-68.4	-177.6	175.1	0.5	112.8	W309 E387 N393	W309-R389 HydrophobicContact CE3-CB 4.03Å; E387-R389 PolarHBondContact O-N 2.82Å; R389-N393 WeakPolarHBondContact O-CB 3.44Å; R389-N393 PolarHBondContact O-N 3.06Å; R389-N393 PolarHBondContact O-ND2 3.31Å
390	V	98.4	Very high	97.5	Very high	0 Å²	0	63 Å²	63	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-64	-48.2	173.4	176.3	0	0	0	0	109.4	W309 V321 Y324 F325 V386 E387 K392 N393 L394	W309-V390 HydrophobicContact CD2-CG2 4.01Å; W309-V390 HydrophobicContact CE3-CG2 4.23Å; W309-V390 HydrophobicContact CH2-CG2 3.65Å; W309-V390 HydrophobicContact CZ2-CG2 3.42Å; W309-V390 VanDerWaalsContact CZ2-CG2 3.42Å; W309-V390 HydrophobicContact CZ3-CG2 4.06Å; V321-V390 HydrophobicContact CG1-CG1 3.94Å; V321-V390 HydrophobicContact CG2-CG1 4.41Å; Y324-V390 HydrophobicContact CD1-CG1 4.07Å; Y324-V390 HydrophobicContact CD1-CG2 4.02Å; Y324-V390 HydrophobicContact CE1-CB 4.5Å; Y324-V390 HydrophobicContact CE1-CG1 4.03Å; Y324-V390 HydrophobicContact CE1-CG2 4.1Å; Y324-V390 HydrophobicContact CG-CG2 4.38Å; F325-V390 HydrophobicContact CE1-CG1 3.99Å; F325-V390 HydrophobicContact CZ-CG1 4.3Å; V386-V390 HydrophobicContact CB-CB 4.26Å; V386-V390 HydrophobicContact CB-CG1 4.17Å; V386-V390 HydrophobicContact CG2-CB 4.08Å; V386-V390 HydrophobicContact CG2-CG1 4.04Å; E387-V390 HydrophobicContact CB-CG2 4.29Å; E387-V390 WeakPolarHBondContact O-CA 3.43Å; E387-V390 VanDerWaalsContact O-CB 3.32Å; E387-V390 WeakPolarHBondContact O-CB 3.36Å; E387-V390 PolarHBondContact O-N 3.18Å; V390-K392 PolarHBondContact O-N 3.14Å; V390-N393 PolarHBondContact O-N 2.78Å; V390-N393 VanDerWaalsContact O-N 3.14Å; V390-L394 HydrophobicContact CG1-CD1 4.15Å; V390-L394 HydrophobicContact CG1-CG 4.5Å; V390-L394 WeakPolarHBondContact O-CG 3.19Å; V390-L394 PolarHBondContact O-N 2.91Å
391	F	98.6	Very high	97.5	Very high	4 Å²	4	64.2 Å²	64.2	2%	0.018	29%	0.292	C	S	.	.	H	α-helix	trans	-56.7	-51.1	178.3	-169.1	-86	0	0	0	112.4	L357 H358 K359 N366 V368 V386 E387 N393 L394 E395	L357-F391 HydrophobicContact CB-CE1 4.47Å; L357-F391 HydrophobicContact CB-CE2 3.8Å; L357-F391 HydrophobicContact CB-CZ 3.66Å; L357-F391 HydrophobicContact CD2-CD2 4.44Å; L357-F391 HydrophobicContact CD2-CE2 4.25Å; H358-F391 WeakPolarHBondContact O-CE2 3.4Å; K359-F391 HydrophobicContact CG-CE1 4.1Å; K359-F391 HydrophobicContact CG-CZ 4.16Å; N366-F391 VanDerWaalsContact C-CD2 3.48Å; N366-F391 HydrophobicContact CB-CB 3.87Å; N366-F391 HydrophobicContact CB-CD2 3.77Å; N366-F391 HydrophobicContact CB-CE2 4.48Å; N366-F391 HydrophobicContact CB-CG 3.85Å; V368-F391 HydrophobicContact CG2-CD2 4.15Å; V386-F391 HydrophobicContact CG2-CB 3.88Å; V386-F391 HydrophobicContact CG2-CD2 4.33Å; E387-F391 PolarHBondContact O-N 3.06Å; E387-F391 VanDerWaalsContact O-N 3.12Å; F391-N393 VanDerWaalsContact C-N 3.29Å; F391-N393 PolarHBondContact O-N 2.84Å; F391-L394 WeakPolarHBondContact O-CB 3.37Å; F391-L394 PolarHBondContact O-N 3.02Å; F391-L394 VanDerWaalsContact O-N 3.08Å; F391-E395 HydrophobicContact CD1-CG 4.2Å; F391-E395 HydrophobicContact CE1-CG 4.04Å; F391-E395 PolarHBondContact O-N 2.82Å
392	K	98.2	Very high	97.4	Very high	94 Å²	94	66.9 Å²	66.9	41%	0.409	31%	0.305	S	S	.	.	H	α-helix	trans	-60.1	-37.3	176.1	-73.9	-173	174.4	-159	0	113.5	K388 V390 L394 E395 L396	K388-K392 WeakPolarHBondContact O-CG 3.28Å; K388-K392 PolarHBondContact O-N 2.9Å; K388-K392 VanDerWaalsContact O-N 3.1Å; V390-K392 PolarHBondContact O-N 3.14Å; K392-L394 VanDerWaalsContact C-N 3.34Å; K392-E395 PolarHBondContact O-N 3.02Å; K392-L396 WeakPolarHBondContact O-CG 3.43Å; K392-L396 PolarHBondContact O-N 3.3Å
393	N	98.6	Very high	97.4	Very high	6 Å²	6	71.6 Å²	71.6	3%	0.032	33%	0.326	C	S	.	.	H	α-helix	trans	-67.4	-37.4	176	-83.3	-21.8	0	0	0	111.1	W309 R317 V321 R389 V390 F391 L396 F397	W309-N393 PolarHBondContact O-ND2 2.63Å; R317-N393 WeakPolarHBondContact CD-OD1 3.39Å; R317-N393 PolarHBondContact NH1-OD1 3.25Å; V321-N393 HydrophobicContact CG2-CB 4.14Å; R389-N393 WeakPolarHBondContact O-CB 3.44Å; R389-N393 PolarHBondContact O-N 3.06Å; R389-N393 PolarHBondContact O-ND2 3.31Å; V390-N393 PolarHBondContact O-N 2.78Å; V390-N393 VanDerWaalsContact O-N 3.14Å; F391-N393 VanDerWaalsContact C-N 3.29Å; F391-N393 PolarHBondContact O-N 2.84Å; N393-L396 WeakPolarHBondContact O-CB 3.36Å; N393-L396 PolarHBondContact O-N 3.21Å; N393-F397 HydrophobicContact CB-CE1 4.02Å; N393-F397 HydrophobicContact CB-CE2 4.09Å; N393-F397 HydrophobicContact CB-CZ 3.64Å; N393-F397 WeakPolarHBondContact O-CD1 3.31Å; N393-F397 WeakPolarHBondContact O-CD2 3.24Å; N393-F397 WeakPolarHBondContact O-CE1 3.21Å; N393-F397 WeakPolarHBondContact O-CG 3.41Å; N393-F397 PolarHBondContact O-N 2.95Å
394	L	98.5	Very high	97.3	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-64	-40.9	173.7	-65.2	165	0	0	0	111.9	V321 F325 L357 V368 V390 F391 K392 L396 F397 M398 L407	V321-L394 HydrophobicContact CG1-CD2 4.15Å; F325-L394 HydrophobicContact CE2-CD2 4.11Å; F325-L394 HydrophobicContact CZ-CD1 3.88Å; F325-L394 HydrophobicContact CZ-CD2 3.9Å; F325-L394 HydrophobicContact CZ-CG 4.39Å; L357-L394 HydrophobicContact CD1-CB 3.83Å; L357-L394 HydrophobicContact CD2-CB 3.89Å; L357-L394 HydrophobicContact CD2-CD1 3.84Å; V368-L394 HydrophobicContact CG1-CD1 4.18Å; V368-L394 HydrophobicContact CG2-CD1 3.62Å; V390-L394 HydrophobicContact CG1-CD1 4.15Å; V390-L394 HydrophobicContact CG1-CG 4.5Å; V390-L394 WeakPolarHBondContact O-CG 3.19Å; V390-L394 PolarHBondContact O-N 2.91Å; F391-L394 WeakPolarHBondContact O-CB 3.37Å; F391-L394 PolarHBondContact O-N 3.02Å; F391-L394 VanDerWaalsContact O-N 3.08Å; K392-L394 VanDerWaalsContact C-N 3.34Å; L394-L396 VanDerWaalsContact C-N 3.26Å; L394-L396 PolarHBondContact O-N 2.96Å; L394-F397 HydrophobicContact CD2-CD2 4.08Å; L394-F397 PolarHBondContact O-N 3.46Å; L394-F397 VanDerWaalsContact O-N 3.08Å; L394-M398 WeakPolarHBondContact O-CG 3.41Å; L394-M398 PolarHBondContact O-N 2.86Å; L394-L407 HydrophobicContact CD2-CD1 4.37Å; L394-L407 HydrophobicContact CD2-CD2 4.12Å
395	E	98.1	Very high	97.3	Very high	79 Å²	79	72.6 Å²	72.6	37%	0.369	34%	0.342	S	S	.	.	H	α-helix	trans	-54	-46.5	172.7	-67.7	177.7	131.7	0	0	110.5	L357 F391 K392 M398 E399	L357-E395 HydrophobicContact CD1-CB 4.41Å; L357-E395 HydrophobicContact CD1-CG 3.78Å; F391-E395 HydrophobicContact CD1-CG 4.2Å; F391-E395 HydrophobicContact CE1-CG 4.04Å; F391-E395 PolarHBondContact O-N 2.82Å; K392-E395 PolarHBondContact O-N 3.02Å; E395-M398 PolarHBondContact O-N 2.98Å; E395-E399 PolarHBondContact O-N 3.46Å
396	L	97.8	Very high	97.2	Very high	70 Å²	70	71 Å²	71	37%	0.366	34%	0.337	S	S	.	.	H	α-helix	trans	-67	-35.3	176.5	-66.5	170.5	0	0	0	113.3	K392 N393 L394 M398 E399	K392-L396 WeakPolarHBondContact O-CG 3.43Å; K392-L396 PolarHBondContact O-N 3.3Å; N393-L396 WeakPolarHBondContact O-CB 3.36Å; N393-L396 PolarHBondContact O-N 3.21Å; L394-L396 VanDerWaalsContact C-N 3.26Å; L394-L396 PolarHBondContact O-N 2.96Å; L396-M398 PolarHBondContact O-N 3.32Å; L396-E399 PolarHBondContact O-N 3.26Å
397	F	98.2	Very high	97.3	Very high	2 Å²	2	70.6 Å²	70.6	1%	0.009	33%	0.334	C	S	.	.	H	α-helix	trans	-71.9	-22.6	-179.6	-59.1	-14.2	0	0	0	112.5	M314 R317 Q318 V321 N393 L394 K401 L407 F408	M314-F397 HydrophobicContact SD-CD1 3.63Å; M314-F397 HydrophobicContact SD-CE1 3.46Å; M314-F397 WeakPolarHBondContact SD-CE1 3.36Å; R317-F397 HydrophobicContact CB-CE1 4.03Å; R317-F397 HydrophobicContact CB-CZ 3.92Å; Q318-F397 HydrophobicContact CB-CZ 4.38Å; Q318-F397 HydrophobicContact CG-CD1 3.91Å; Q318-F397 HydrophobicContact CG-CD2 4.24Å; Q318-F397 HydrophobicContact CG-CE1 3.71Å; Q318-F397 HydrophobicContact CG-CE2 4.05Å; Q318-F397 HydrophobicContact CG-CG 4.19Å; Q318-F397 HydrophobicContact CG-CZ 3.77Å; V321-F397 HydrophobicContact CB-CE2 3.86Å; V321-F397 HydrophobicContact CB-CZ 4.39Å; V321-F397 HydrophobicContact CG1-CE2 4.05Å; V321-F397 HydrophobicContact CG2-CE2 3.85Å; V321-F397 HydrophobicContact CG2-CZ 4.02Å; N393-F397 HydrophobicContact CB-CE1 4.02Å; N393-F397 HydrophobicContact CB-CE2 4.09Å; N393-F397 HydrophobicContact CB-CZ 3.64Å; N393-F397 WeakPolarHBondContact O-CD1 3.31Å; N393-F397 WeakPolarHBondContact O-CD2 3.24Å; N393-F397 WeakPolarHBondContact O-CE1 3.21Å; N393-F397 WeakPolarHBondContact O-CG 3.41Å; N393-F397 PolarHBondContact O-N 2.95Å; L394-F397 HydrophobicContact CD2-CD2 4.08Å; L394-F397 PolarHBondContact O-N 3.46Å; L394-F397 VanDerWaalsContact O-N 3.08Å; F397-K401 VanDerWaalsContact O-CD 3.23Å; F397-K401 WeakPolarHBondContact O-CD 3.4Å; F397-K401 WeakPolarHBondContact O-CE 3.48Å; F397-K401 PolarHBondContact O-NZ 3.05Å; F397-L407 HydrophobicContact CB-CD1 4.12Å; F397-F408 HydrophobicContact CD2-CD1 4.19Å; F397-F408 AromaticContact CD2-CE1 3.93Å; F397-F408 HydrophobicContact CD2-CE1 3.93Å; F397-F408 HydrophobicContact CE2-CD1 4.29Å; F397-F408 AromaticContact CE2-CE1 3.86Å; F397-F408 HydrophobicContact CE2-CE1 3.86Å
398	M	97.8	Very high	97.3	Very high	42 Å²	42	67.6 Å²	67.6	21%	0.207	32%	0.32	C	S	.	.	H	α-helix	trans	-94.1	-10.6	178.2	-64.2	172	76.8	0	0	112.5	V352 V355 L357 L394 E395 L396 H400 K401 L407	V352-M398 HydrophobicContact CG1-CE 3.68Å; V352-M398 HydrophobicContact CG1-CG 4.4Å; V352-M398 HydrophobicContact CG2-CG 4.48Å; V355-M398 WeakPolarHBondContact O-CE 3.21Å; L357-M398 HydrophobicContact CD1-SD 3.62Å; L357-M398 HydrophobicContact CG-SD 3.86Å; L394-M398 WeakPolarHBondContact O-CG 3.41Å; L394-M398 PolarHBondContact O-N 2.86Å; E395-M398 PolarHBondContact O-N 2.98Å; L396-M398 PolarHBondContact O-N 3.32Å; M398-H400 PolarHBondContact O-N 3.41Å; M398-K401 PolarHBondContact O-N 3.29Å; M398-L407 HydrophobicContact CG-CD1 3.7Å; M398-L407 HydrophobicContact SD-CD1 4.45Å
399	E	95.7	Very high	97.2	Very high	114 Å²	114	65 Å²	65	53%	0.533	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	133.9	-179.8	-162.6	174	-158.8	0	0	111.2	E395 L396 K401	E395-E399 PolarHBondContact O-N 3.46Å; L396-E399 PolarHBondContact O-N 3.26Å; E399-K401 PolarHBondContact O-N 2.88Å
400	H	94.9	Very high	97.1	Very high	183 Å²	183	65 Å²	65	85%	0.847	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	22	-176.7	-53.2	-60.6	0	0	0	115.9	M398	M398-H400 PolarHBondContact O-N 3.41Å
401	K	97.6	Very high	97	Very high	44 Å²	44	65.5 Å²	65.5	19%	0.191	32%	0.316	C	S	.	.			trans	-111.6	157.2	174	-66.3	-172.8	-173.2	168.2	0	112.4	V352 F397 M398 E399 D405 D406 L407 D409	V352-K401 HydrophobicContact CG2-CB 3.75Å; V352-K401 HydrophobicContact CG2-CD 4.02Å; F397-K401 VanDerWaalsContact O-CD 3.23Å; F397-K401 WeakPolarHBondContact O-CD 3.4Å; F397-K401 WeakPolarHBondContact O-CE 3.48Å; F397-K401 PolarHBondContact O-NZ 3.05Å; M398-K401 PolarHBondContact O-N 3.29Å; E399-K401 PolarHBondContact O-N 2.88Å; K401-D405 WeakPolarHBondContact CA-OD2 3.39Å; K401-D405 HydrophobicContact CB-CB 4Å; K401-D405 HydrophobicContact CD-CB 4.16Å; K401-D405 HydrophobicContact CG-CB 4.27Å; K401-D406 WeakPolarHBondContact CD-O 3.31Å; K401-D406 PolarHBondContact NZ-O 3.03Å; K401-L407 PolarHBondContact NZ-O 2.94Å; K401-D409 WeakPolarHBondContact CE-OD1 3.36Å; K401-D409 IonicContact NZ-OD1 2.75Å; K401-D409 PolarHBondContact NZ-OD1 2.96Å
402	K	96.3	Very high	96.9	Very high	164 Å²	164	68 Å²	68	71%	0.713	33%	0.329	S	S	*	.			trans	-110.7	171.2	176.9	-60.3	-179.9	-175	177.2	0	110.8	D405	K402-D405 PolarHBondContact N-OD2 3.34Å; K402-D405 WeakPolarHBondContact O-CB 3.16Å; K402-D405 PolarHBondContact O-N 3.12Å; K402-D405 VanDerWaalsContact O-N 3.15Å
403	E	95.3	Very high	96.7	Very high	158 Å²	158	64.6 Å²	64.6	74%	0.738	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	140.4	164.7	-64.3	-179.9	175.7	0	0	109.7	E353 D405	E353-E403 HydrophobicContact CB-CB 4.24Å; E353-E403 HydrophobicContact CB-CG 4.17Å; E403-D405 VanDerWaalsContact C-N 3.33Å; E403-D405 PolarHBondContact O-N 2.96Å
404	G	94	Very high	96.5	Very high	39 Å²	39	70.2 Å²	70.2	40%	0.402	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.7	-21.6	-172.1	0	0	0	0	0	115.7	R351	R351-G404 VanDerWaalsContact CD-O 3.28Å; R351-G404 WeakPolarHBondContact CD-O 3.26Å
405	D	96.7	Very high	96.3	Very high	71 Å²	71	71.3 Å²	71.3	38%	0.38	35%	0.349	S	S	.	.	S	Bend	trans	-74.6	145.4	176.4	-67.6	-25.2	0	0	0	111.4	R351 V352 K401 K402 E403 L407	R351-D405 CarbonylContact C-O 3.59Å; R351-D405 WeakPolarHBondContact CA-O 3.42Å; R351-D405 WeakPolarHBondContact CB-O 3.42Å; V352-D405 HydrophobicContact CG2-CB 4.46Å; V352-D405 PolarHBondContact N-O 3.41Å; K401-D405 WeakPolarHBondContact CA-OD2 3.39Å; K401-D405 HydrophobicContact CB-CB 4Å; K401-D405 HydrophobicContact CD-CB 4.16Å; K401-D405 HydrophobicContact CG-CB 4.27Å; K402-D405 PolarHBondContact N-OD2 3.34Å; K402-D405 WeakPolarHBondContact O-CB 3.16Å; K402-D405 PolarHBondContact O-N 3.12Å; K402-D405 VanDerWaalsContact O-N 3.15Å; E403-D405 VanDerWaalsContact C-N 3.33Å; E403-D405 PolarHBondContact O-N 2.96Å; D405-L407 PolarHBondContact O-N 3.15Å
406	D	97	Very high	96.2	Very high	73 Å²	73	67.5 Å²	67.5	39%	0.39	33%	0.331	S	S	.	.	B	Isolated β-bridge	trans	-63.8	130.3	177.1	-73.1	-36.7	0	0	0	111.5	K401 F408	K401-D406 WeakPolarHBondContact CD-O 3.31Å; K401-D406 PolarHBondContact NZ-O 3.03Å; D406-F408 VanDerWaalsContact C-N 3.25Å; D406-F408 PolarHBondContact O-N 2.97Å
407	L	97.9	Very high	96.2	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-38.9	173.2	-179.4	64.3	0	0	0	110.4	L350 V355 L394 F397 M398 K401 D405	L350-L407 HydrophobicContact CB-CB 4.14Å; L350-L407 HydrophobicContact CB-CD2 4.07Å; L350-L407 HydrophobicContact CD1-CD2 4.3Å; L350-L407 WeakPolarHBondContact O-CB 3.28Å; L350-L407 PolarHBondContact O-N 3.14Å; V355-L407 HydrophobicContact CG2-CD2 3.92Å; L394-L407 HydrophobicContact CD2-CD1 4.37Å; L394-L407 HydrophobicContact CD2-CD2 4.12Å; F397-L407 HydrophobicContact CB-CD1 4.12Å; M398-L407 HydrophobicContact CG-CD1 3.7Å; M398-L407 HydrophobicContact SD-CD1 4.45Å; K401-L407 PolarHBondContact NZ-O 2.94Å; D405-L407 PolarHBondContact O-N 3.15Å
408	F	97.8	Very high	96.1	Very high	1 Å²	1	69.7 Å²	69.7	0%	0.004	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	66.7	178.5	-55	-68.2	0	0	0	111.6	Q318 V321 A322 F325 C347 L350 F397 D406 R410 L411	Q318-F408 HydrophobicContact CB-CD1 3.8Å; Q318-F408 HydrophobicContact CG-CD1 4Å; V321-F408 HydrophobicContact CB-CE1 4.22Å; V321-F408 HydrophobicContact CG1-CE1 3.99Å; V321-F408 HydrophobicContact CG1-CZ 4.09Å; A322-F408 HydrophobicContact CB-CD2 4.43Å; A322-F408 HydrophobicContact CB-CE1 4.27Å; A322-F408 HydrophobicContact CB-CE2 4.1Å; A322-F408 HydrophobicContact CB-CZ 4Å; F325-F408 HydrophobicContact CD2-CE2 4.4Å; F325-F408 AromaticContact CD2-CZ 3.98Å; F325-F408 HydrophobicContact CD2-CZ 3.98Å; F325-F408 HydrophobicContact CE2-CE2 4.47Å; F325-F408 AromaticContact CE2-CZ 3.83Å; F325-F408 HydrophobicContact CE2-CZ 3.83Å; C347-F408 WeakPolarHBondContact O-CD2 3.46Å; C347-F408 WeakPolarHBondContact O-CE2 3.37Å; L350-F408 HydrophobicContact CD1-CE2 4.37Å; F397-F408 HydrophobicContact CD2-CD1 4.19Å; F397-F408 AromaticContact CD2-CE1 3.93Å; F397-F408 HydrophobicContact CD2-CE1 3.93Å; F397-F408 HydrophobicContact CE2-CD1 4.29Å; F397-F408 AromaticContact CE2-CE1 3.86Å; F397-F408 HydrophobicContact CE2-CE1 3.86Å; D406-F408 VanDerWaalsContact C-N 3.25Å; D406-F408 PolarHBondContact O-N 2.97Å; F408-R410 PolarHBondContact O-N 3.42Å; F408-L411 HydrophobicContact CB-CB 3.9Å; F408-L411 HydrophobicContact CB-CD2 4.28Å; F408-L411 HydrophobicContact CG-CD2 4.42Å; F408-L411 PolarHBondContact O-N 3.3Å; F408-L411 VanDerWaalsContact O-N 3.07Å
409	D	96.2	Very high	96	Very high	79 Å²	79	68.3 Å²	68.3	42%	0.422	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-15.1	-175.8	60.7	-65	0	0	0	115.4	Q318 K401	Q318-D409 PolarHBondContact NE2-OD1 3.36Å; K401-D409 WeakPolarHBondContact CE-OD1 3.36Å; K401-D409 IonicContact NZ-OD1 2.75Å; K401-D409 PolarHBondContact NZ-OD1 2.96Å
410	R	96.3	Very high	96	Very high	141 Å²	141	62.9 Å²	62.9	53%	0.532	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	14.7	179.9	-47.8	-170.9	-172.5	-171.1	1.2	113	R315 F408	R315-R410 HydrophobicContact CB-CB 4.23Å; R315-R410 HydrophobicContact CG-CB 4.43Å; F408-R410 PolarHBondContact O-N 3.42Å
411	L	96.2	Very high	96.1	Very high	12 Å²	12	60 Å²	60	6%	0.063	29%	0.293	C	S	.	.			trans	-130.9	139.2	-176.5	-174.8	68.3	0	0	0	110.8	R319 A322 F408 V415 L416	R319-L411 HydrophobicContact CB-CD1 3.98Å; R319-L411 HydrophobicContact CG-CD1 4.14Å; A322-L411 HydrophobicContact CB-CD2 3.4Å; A322-L411 VanDerWaalsContact CB-CD2 3.4Å; F408-L411 HydrophobicContact CB-CB 3.9Å; F408-L411 HydrophobicContact CB-CD2 4.28Å; F408-L411 HydrophobicContact CG-CD2 4.42Å; F408-L411 PolarHBondContact O-N 3.3Å; F408-L411 VanDerWaalsContact O-N 3.07Å; L411-V415 HydrophobicContact CD1-CB 4.44Å; L411-V415 HydrophobicContact CD1-CG1 4.11Å; L411-L416 HydrophobicContact CD1-CB 4.29Å
412	N	94.9	Very high	96	Very high	56 Å²	56	65.1 Å²	65.1	30%	0.299	32%	0.318	S	S	.	.			trans	-134.6	172.1	162.7	65.1	40.3	0	0	0	109.9	Q414 V415 L416	N412-Q414 VanDerWaalsContact C-N 3.26Å; N412-Q414 PolarHBondContact O-N 2.88Å; N412-Q414 WeakPolarHBondContact OD1-CB 3.43Å; N412-Q414 PolarHBondContact OD1-N 2.91Å; N412-Q414 VanDerWaalsContact OD1-N 3.1Å; N412-V415 PolarHBondContact O-N 2.89Å; N412-V415 WeakPolarHBondContact OD1-CG2 3.49Å; N412-V415 PolarHBondContact OD1-N 3.26Å; N412-L416 PolarHBondContact O-N 3.12Å; N412-L416 VanDerWaalsContact O-N 3.08Å
413	T	94.3	Very high	95.9	Very high	22 Å²	22	59.8 Å²	59.8	14%	0.135	30%	0.297	C	S	.	.	H	α-helix	trans	-64.9	-28.1	-176.3	59.6	0	0	0	0	114	A333 G334 N335 C348 N417	A333-T413 HydrophobicContact CB-CG2 3.8Å; G334-T413 VanDerWaalsContact C-CG2 3.46Å; G334-T413 WeakPolarHBondContact O-CG2 3.24Å; N335-T413 WeakPolarHBondContact OD1-CG2 3.11Å; N335-T413 PolarHBondContact OD1-OG1 3.15Å; C348-T413 HydrophobicContact CB-CG2 3.86Å; T413-N417 WeakPolarHBondContact O-CB 3.45Å; T413-N417 PolarHBondContact O-N 3.23Å; T413-N417 PolarHBondContact O-ND2 2.93Å
414	Q	94.8	Very high	95.9	Very high	124 Å²	124	53.2 Å²	53.2	58%	0.579	27%	0.266	S	S	*	.	H	α-helix	trans	-66.9	-52.8	177.3	177.1	177.4	-12.3	0	0	109.7	N412 L416 N417 E418	N412-Q414 VanDerWaalsContact C-N 3.26Å; N412-Q414 PolarHBondContact O-N 2.88Å; N412-Q414 WeakPolarHBondContact OD1-CB 3.43Å; N412-Q414 PolarHBondContact OD1-N 2.91Å; N412-Q414 VanDerWaalsContact OD1-N 3.1Å; Q414-L416 VanDerWaalsContact C-N 3.28Å; Q414-L416 PolarHBondContact O-N 3.21Å; Q414-N417 PolarHBondContact O-N 3.45Å; Q414-E418 HydrophobicContact CG-CG 4.48Å; Q414-E418 VanDerWaalsContact CG-OE1 3.25Å; Q414-E418 WeakPolarHBondContact CG-OE1 3.23Å; Q414-E418 PolarHBondContact NE2-OE1 2.66Å; Q414-E418 WeakPolarHBondContact O-CG 3.49Å; Q414-E418 PolarHBondContact O-N 2.89Å
415	V	95	Very high	95.9	Very high	23 Å²	23	58.9 Å²	58.9	14%	0.139	28%	0.282	C	S	.	.	H	α-helix	trans	-56.5	-42.9	177.5	170.5	0	0	0	0	111.4	L411 N412 E418 H419	L411-V415 HydrophobicContact CD1-CB 4.44Å; L411-V415 HydrophobicContact CD1-CG1 4.11Å; N412-V415 PolarHBondContact O-N 2.89Å; N412-V415 WeakPolarHBondContact OD1-CG2 3.49Å; N412-V415 PolarHBondContact OD1-N 3.26Å; V415-E418 PolarHBondContact O-N 3.44Å; V415-H419 PolarHBondContact O-N 3.35Å
416	L	96.4	Very high	95.6	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.3	-46.2	176.4	178.7	65.2	0	0	0	111.7	R319 L323 I326 L411 N412 Q414 H419 L420 A429	R319-L416 HydrophobicContact CG-CD1 3.99Å; L323-L416 HydrophobicContact CB-CD1 4.41Å; I326-L416 HydrophobicContact CD1-CD2 3.38Å; L411-L416 HydrophobicContact CD1-CB 4.29Å; N412-L416 PolarHBondContact O-N 3.12Å; N412-L416 VanDerWaalsContact O-N 3.08Å; Q414-L416 VanDerWaalsContact C-N 3.28Å; Q414-L416 PolarHBondContact O-N 3.21Å; L416-H419 PolarHBondContact O-N 2.87Å; L416-L420 HydrophobicContact CG-CD1 4.17Å; L416-L420 VanDerWaalsContact O-CG 3.29Å; L416-L420 WeakPolarHBondContact O-CG 3.45Å; L416-L420 PolarHBondContact O-N 3.14Å; L416-A429 HydrophobicContact CD2-CB 4.08Å
417	N	96.3	Very high	95.6	Very high	34 Å²	34	54.2 Å²	54.2	18%	0.182	27%	0.268	C	S	.	.	H	α-helix	trans	-72	-29.8	-177.9	-73.5	-53.1	0	0	0	113	T413 Q414 L420 K421 T428 A429	T413-N417 WeakPolarHBondContact O-CB 3.45Å; T413-N417 PolarHBondContact O-N 3.23Å; T413-N417 PolarHBondContact O-ND2 2.93Å; Q414-N417 PolarHBondContact O-N 3.45Å; N417-L420 PolarHBondContact O-N 3.49Å; N417-K421 VanDerWaalsContact O-CG 3.29Å; N417-K421 WeakPolarHBondContact O-CG 3.45Å; N417-K421 PolarHBondContact O-N 2.88Å; N417-K421 VanDerWaalsContact O-N 3.09Å; N417-T428 VanDerWaalsContact OD1-CA 3.28Å; N417-T428 WeakPolarHBondContact OD1-CA 3.43Å; N417-T428 VanDerWaalsContact OD1-CB 3.26Å; N417-T428 WeakPolarHBondContact OD1-CB 3.25Å; N417-A429 PolarHBondContact OD1-N 3.49Å
418	E	96.1	Very high	95.5	Very high	83 Å²	83	56.2 Å²	56.2	39%	0.388	28%	0.28	S	S	.	.	H	α-helix	trans	-61.4	-50.6	171.7	-75.2	167.3	-177.6	0	0	110.5	Q414 V415 L420 K421 E422	Q414-E418 HydrophobicContact CG-CG 4.48Å; Q414-E418 VanDerWaalsContact CG-OE1 3.25Å; Q414-E418 WeakPolarHBondContact CG-OE1 3.23Å; Q414-E418 PolarHBondContact NE2-OE1 2.66Å; Q414-E418 WeakPolarHBondContact O-CG 3.49Å; Q414-E418 PolarHBondContact O-N 2.89Å; V415-E418 PolarHBondContact O-N 3.44Å; E418-L420 VanDerWaalsContact C-N 3.33Å; E418-L420 PolarHBondContact O-N 3.16Å; E418-K421 WeakPolarHBondContact O-CB 3.39Å; E418-K421 PolarHBondContact O-N 2.96Å; E418-K421 VanDerWaalsContact O-N 3.14Å; E418-E422 PolarHBondContact O-N 3.45Å
419	H	96.1	Very high	95.5	Very high	14 Å²	14	56.2 Å²	56.2	7%	0.065	28%	0.281	C	S	.	.	H	α-helix	trans	-60.2	-41.1	175.4	179.3	57.7	0	0	0	112.9	E308 R319 V415 L416 K421 E422 L423	E308-H419 IonicContact OE1-CE1 2.9Å; E308-H419 IonicContact OE1-NE2 3.4Å; R319-H419 VanDerWaalsContact CD-CD2 3.48Å; R319-H419 WeakPolarHBondContact CD-CD2 3.4Å; R319-H419 PolarHBondContact NE-CD2 3.1Å; R319-H419 VanDerWaalsContact NE-CD2 3.27Å; R319-H419 PolarHBondContact NE-NE2 3.39Å; R319-H419 PolarHBondContact NH1-ND1 2.91Å; R319-H419 PolarHBondContact NH2-CE1 3.32Å; V415-H419 PolarHBondContact O-N 3.35Å; L416-H419 PolarHBondContact O-N 2.87Å; H419-K421 VanDerWaalsContact C-N 3.29Å; H419-K421 PolarHBondContact O-N 3.15Å; H419-E422 IonicContact ND1-OE2 2.77Å; H419-E422 PolarHBondContact ND1-OE2 3.49Å; H419-E422 WeakPolarHBondContact O-CB 3.28Å; H419-E422 PolarHBondContact O-N 2.8Å; H419-E422 VanDerWaalsContact O-N 3.17Å; H419-L423 PolarHBondContact O-N 3.15Å
420	L	96.7	Very high	95.4	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-61.2	-37.2	177	-73.6	176.1	0	0	0	112.6	L323 L416 N417 E418 E422 L423 M424 L427 T428 A429 F432	L323-L420 HydrophobicContact CD1-CD2 3.81Å; L323-L420 HydrophobicContact CD2-CD2 4.02Å; L416-L420 HydrophobicContact CG-CD1 4.17Å; L416-L420 VanDerWaalsContact O-CG 3.29Å; L416-L420 WeakPolarHBondContact O-CG 3.45Å; L416-L420 PolarHBondContact O-N 3.14Å; N417-L420 PolarHBondContact O-N 3.49Å; E418-L420 VanDerWaalsContact C-N 3.33Å; E418-L420 PolarHBondContact O-N 3.16Å; L420-E422 VanDerWaalsContact C-N 3.29Å; L420-E422 PolarHBondContact O-N 2.96Å; L420-L423 HydrophobicContact CD2-CD1 4.32Å; L420-L423 PolarHBondContact O-N 2.88Å; L420-M424 PolarHBondContact O-N 2.79Å; L420-M424 VanDerWaalsContact O-N 3.08Å; L420-L427 HydrophobicContact CB-CB 4.28Å; L420-L427 HydrophobicContact CB-CD2 4.19Å; L420-L427 HydrophobicContact CB-CG 4.02Å; L420-L427 HydrophobicContact CD2-CD2 3.84Å; L420-L427 HydrophobicContact CD2-CG 4.26Å; L420-L427 WeakPolarHBondContact O-CB 3.2Å; L420-T428 VanDerWaalsContact CD1-C 3.5Å; L420-A429 HydrophobicContact CD1-CB 4.19Å; L420-F432 HydrophobicContact CD1-CE2 4.18Å; L420-F432 HydrophobicContact CD2-CE2 3.74Å; L420-F432 HydrophobicContact CD2-CZ 4.09Å
421	K	95.5	Very high	95.5	Very high	123 Å²	123	54.3 Å²	54.3	54%	0.535	27%	0.274	S	S	.	.	H	α-helix	trans	-64.3	-33.9	176.7	-72	167.7	-175.9	176.7	0	112.4	N417 E418 H419 L423 M424	N417-K421 VanDerWaalsContact O-CG 3.29Å; N417-K421 WeakPolarHBondContact O-CG 3.45Å; N417-K421 PolarHBondContact O-N 2.88Å; N417-K421 VanDerWaalsContact O-N 3.09Å; E418-K421 WeakPolarHBondContact O-CB 3.39Å; E418-K421 PolarHBondContact O-N 2.96Å; E418-K421 VanDerWaalsContact O-N 3.14Å; H419-K421 VanDerWaalsContact C-N 3.29Å; H419-K421 PolarHBondContact O-N 3.15Å; K421-L423 VanDerWaalsContact C-N 3.3Å; K421-M424 CarbonylContact O-C 3.56Å
422	E	95.6	Very high	95.6	Very high	150 Å²	150	53.8 Å²	53.8	70%	0.701	27%	0.271	S	S	*	.	H	α-helix	trans	-65.6	-35.5	174.7	-61.6	168.3	169.8	0	0	111.5	E418 H419 L420	E418-E422 PolarHBondContact O-N 3.45Å; H419-E422 IonicContact ND1-OE2 2.77Å; H419-E422 PolarHBondContact ND1-OE2 3.49Å; H419-E422 WeakPolarHBondContact O-CB 3.28Å; H419-E422 PolarHBondContact O-N 2.8Å; H419-E422 VanDerWaalsContact O-N 3.17Å; L420-E422 VanDerWaalsContact C-N 3.29Å; L420-E422 PolarHBondContact O-N 2.96Å
423	L	95.3	Very high	95.7	Very high	53 Å²	53	51.6 Å²	51.6	28%	0.277	26%	0.259	S	S	.	.	H	α-helix	trans	-74.9	-34.3	179.1	-64.1	175.6	0	0	0	112.9	I301 H419 L420 K421	I301-L423 HydrophobicContact CD1-CB 4.34Å; I301-L423 HydrophobicContact CG1-CB 4.33Å; I301-L423 HydrophobicContact CG1-CD1 4.27Å; I301-L423 HydrophobicContact CG2-CD1 4.14Å; H419-L423 PolarHBondContact O-N 3.15Å; L420-L423 HydrophobicContact CD2-CD1 4.32Å; L420-L423 PolarHBondContact O-N 2.88Å; K421-L423 VanDerWaalsContact C-N 3.3Å
424	M	95.6	Very high	95.9	Very high	19 Å²	19	51.1 Å²	51.1	9%	0.094	26%	0.255	C	S	.	.	S	Bend	trans	-160	130.9	175.7	177.8	-170.6	101.9	0	0	110.8	T290 R293 L294 V297 L420 K421 G426 L427	T290-M424 HydrophobicContact CG2-CE 3.64Å; T290-M424 WeakPolarHBondContact O-CE 3.46Å; R293-M424 HydrophobicContact CB-CE 4.32Å; R293-M424 HydrophobicContact CB-SD 4.01Å; L294-M424 HydrophobicContact CB-CE 4.27Å; L294-M424 HydrophobicContact CB-SD 4.22Å; V297-M424 HydrophobicContact CG2-SD 3.97Å; L420-M424 PolarHBondContact O-N 2.79Å; L420-M424 VanDerWaalsContact O-N 3.08Å; K421-M424 CarbonylContact O-C 3.56Å; M424-G426 PolarHBondContact O-N 3.05Å; M424-L427 HydrophobicContact CB-CB 3.96Å; M424-L427 HydrophobicContact CB-CD2 4.04Å; M424-L427 HydrophobicContact CE-CB 3.91Å; M424-L427 HydrophobicContact CE-CD1 3.75Å; M424-L427 HydrophobicContact CE-CG 4.34Å; M424-L427 HydrophobicContact CG-CB 4.48Å; M424-L427 WeakPolarHBondContact O-CB 3.49Å; M424-L427 PolarHBondContact O-N 3.26Å
425	E	93.3	Very high	96	Very high	158 Å²	158	45.7 Å²	45.7	74%	0.738	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	124.2	179	-168.7	-168	173.7	0	0	112.5	R293 L427	R293-E425 PolarHBondContact NH1-O 3.4Å; R293-E425 PolarHBondContact NH2-O 3.14Å; R293-E425 VanDerWaalsContact NH2-O 3.13Å; E425-L427 VanDerWaalsContact C-N 3.29Å
426	G	91.2	Very high	96.2	Very high	46 Å²	46	45.3 Å²	45.3	47%	0.474	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	4.2	-178.7	0	0	0	0	0	114.5	M424	M424-G426 PolarHBondContact O-N 3.05Å
427	L	96.2	Very high	96.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.227	C	C	.	.			trans	-71.1	137	175.7	-169.2	59.5	0	0	0	111.3	L294 I301 L420 M424 E425 V431 F432	L294-L427 HydrophobicContact CB-CD1 4.45Å; L294-L427 HydrophobicContact CD1-CD1 3.88Å; L294-L427 HydrophobicContact CD1-CD2 4.16Å; L294-L427 HydrophobicContact CD2-CD1 3.97Å; L294-L427 HydrophobicContact CG-CD1 4.33Å; I301-L427 HydrophobicContact CD1-CD2 3.76Å; L420-L427 HydrophobicContact CB-CB 4.28Å; L420-L427 HydrophobicContact CB-CD2 4.19Å; L420-L427 HydrophobicContact CB-CG 4.02Å; L420-L427 HydrophobicContact CD2-CD2 3.84Å; L420-L427 HydrophobicContact CD2-CG 4.26Å; L420-L427 WeakPolarHBondContact O-CB 3.2Å; M424-L427 HydrophobicContact CB-CB 3.96Å; M424-L427 HydrophobicContact CB-CD2 4.04Å; M424-L427 HydrophobicContact CE-CB 3.91Å; M424-L427 HydrophobicContact CE-CD1 3.75Å; M424-L427 HydrophobicContact CE-CG 4.34Å; M424-L427 HydrophobicContact CG-CB 4.48Å; M424-L427 WeakPolarHBondContact O-CB 3.49Å; M424-L427 PolarHBondContact O-N 3.26Å; E425-L427 VanDerWaalsContact C-N 3.29Å; L427-V431 HydrophobicContact CD1-CB 3.8Å; L427-V431 HydrophobicContact CD1-CG1 3.89Å; L427-V431 HydrophobicContact CD1-CG2 4.24Å; L427-F432 HydrophobicContact CD1-CD2 4.49Å; L427-F432 HydrophobicContact CD1-CE2 4Å; L427-F432 HydrophobicContact CD2-CE2 4.14Å; L427-F432 HydrophobicContact CD2-CZ 4.37Å; L427-F432 HydrophobicContact CG-CE2 4.2Å
428	T	96.6	Very high	96.4	Very high	42 Å²	42	43.7 Å²	43.7	26%	0.258	22%	0.218	S	C	.	.			trans	-143.3	164.5	171.5	63.4	0	0	0	0	108.8	N417 L420 K430 V431	N417-T428 VanDerWaalsContact OD1-CA 3.28Å; N417-T428 WeakPolarHBondContact OD1-CA 3.43Å; N417-T428 VanDerWaalsContact OD1-CB 3.26Å; N417-T428 WeakPolarHBondContact OD1-CB 3.25Å; L420-T428 VanDerWaalsContact CD1-C 3.5Å; T428-K430 PolarHBondContact O-N 3.29Å; T428-V431 WeakPolarHBondContact O-CB 3.45Å; T428-V431 PolarHBondContact O-N 2.9Å
429	A	96.2	Very high	96.5	Very high	2 Å²	2	42.8 Å²	42.8	2%	0.017	21%	0.213	C	C	.	.	H	α-helix	trans	-55.6	-27.7	177.2	0	0	0	0	0	112.9	I326 A333 L416 N417 L420 V431	I326-A429 HydrophobicContact CD1-CB 4.07Å; I326-A429 HydrophobicContact CG2-CB 4.42Å; A333-A429 HydrophobicContact CB-CB 3.75Å; L416-A429 HydrophobicContact CD2-CB 4.08Å; N417-A429 PolarHBondContact OD1-N 3.49Å; L420-A429 HydrophobicContact CD1-CB 4.19Å; A429-V431 VanDerWaalsContact C-N 3.3Å; A429-V431 PolarHBondContact O-N 2.92Å
430	K	95.3	Very high	96.6	Very high	165 Å²	165	44 Å²	44	72%	0.717	22%	0.221	S	C	*	.	H	α-helix	trans	-67.6	-29	177.8	-66	177.3	-176.4	168.4	0	112.8	T428 F432 R433	T428-K430 PolarHBondContact O-N 3.29Å; K430-F432 VanDerWaalsContact C-N 3.35Å; K430-R433 PolarHBondContact O-N 3.29Å
431	V	97.5	Very high	96.7	Very high	15 Å²	15	44 Å²	44	9%	0.091	22%	0.221	C	C	.	.	H	α-helix	trans	-65.6	-38.9	-178.1	-179	0	0	0	0	110.7	T290 A291 L294 L427 T428 A429 R433 T434 Y435	T290-V431 HydrophobicContact CG2-CG1 4.13Å; T290-V431 HydrophobicContact CG2-CG2 4.02Å; A291-V431 HydrophobicContact CB-CG1 4.13Å; L294-V431 HydrophobicContact CB-CG1 4.27Å; L294-V431 HydrophobicContact CD2-CG1 3.89Å; L427-V431 HydrophobicContact CD1-CB 3.8Å; L427-V431 HydrophobicContact CD1-CG1 3.89Å; L427-V431 HydrophobicContact CD1-CG2 4.24Å; T428-V431 WeakPolarHBondContact O-CB 3.45Å; T428-V431 PolarHBondContact O-N 2.9Å; A429-V431 VanDerWaalsContact C-N 3.3Å; A429-V431 PolarHBondContact O-N 2.92Å; V431-R433 VanDerWaalsContact C-N 3.31Å; V431-R433 PolarHBondContact O-N 3.1Å; V431-T434 PolarHBondContact O-N 3.02Å; V431-Y435 WeakPolarHBondContact O-CB 3.47Å; V431-Y435 PolarHBondContact O-N 2.85Å
432	F	98.3	Very high	96.8	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-56.1	-42.5	177.1	-74.6	-96.8	0	0	0	112.3	L294 I298 I301 L323 I326 D327 L420 L427 K430 T434 Y435 N436	L294-F432 HydrophobicContact CD1-CE1 4.45Å; L294-F432 HydrophobicContact CD1-CZ 4.23Å; L294-F432 HydrophobicContact CD2-CD1 4.1Å; L294-F432 HydrophobicContact CD2-CD2 4.26Å; L294-F432 HydrophobicContact CD2-CE1 4.22Å; L294-F432 HydrophobicContact CD2-CE2 4.35Å; L294-F432 HydrophobicContact CD2-CG 4.12Å; L294-F432 HydrophobicContact CD2-CZ 4.33Å; I298-F432 HydrophobicContact CD1-CD1 4.18Å; I298-F432 HydrophobicContact CD1-CE1 3.6Å; I298-F432 HydrophobicContact CD1-CZ 4.46Å; I301-F432 HydrophobicContact CG2-CZ 4.31Å; L323-F432 HydrophobicContact CD1-CE1 4.2Å; L323-F432 HydrophobicContact CD1-CE2 3.92Å; L323-F432 HydrophobicContact CD1-CZ 3.73Å; I326-F432 HydrophobicContact CG2-CB 3.77Å; I326-F432 HydrophobicContact CG2-CD2 4.31Å; I326-F432 HydrophobicContact CG2-CG 4.06Å; D327-F432 HydrophobicContact CB-CD1 3.92Å; D327-F432 HydrophobicContact CB-CE1 4.13Å; L420-F432 HydrophobicContact CD1-CE2 4.18Å; L420-F432 HydrophobicContact CD2-CE2 3.74Å; L420-F432 HydrophobicContact CD2-CZ 4.09Å; L427-F432 HydrophobicContact CD1-CD2 4.49Å; L427-F432 HydrophobicContact CD1-CE2 4Å; L427-F432 HydrophobicContact CD2-CE2 4.14Å; L427-F432 HydrophobicContact CD2-CZ 4.37Å; L427-F432 HydrophobicContact CG-CE2 4.2Å; K430-F432 VanDerWaalsContact C-N 3.35Å; F432-T434 VanDerWaalsContact C-N 3.35Å; F432-T434 PolarHBondContact O-N 3.02Å; F432-Y435 PolarHBondContact O-N 3.33Å; F432-N436 WeakPolarHBondContact O-CB 3.29Å; F432-N436 VanDerWaalsContact O-CG 3.27Å; F432-N436 PolarHBondContact O-N 3.4Å; F432-N436 PolarHBondContact O-ND2 3.06Å
433	R	97.3	Very high	97	Very high	11 Å²	11	34.7 Å²	34.7	4%	0.042	19%	0.187	C	C	.	.	H	α-helix	trans	-64.6	-37.5	176.9	-67.7	-169.9	75.6	-127.4	-2.7	112.7	A330 K430 V431 A437 C473 H475 Y551	A330-R433 HydrophobicContact CB-CG 4.29Å; A330-R433 WeakPolarHBondContact O-CD 3.14Å; A330-R433 WeakPolarHBondContact O-CG 3.48Å; A330-R433 PolarHBondContact O-NE 3.24Å; K430-R433 PolarHBondContact O-N 3.29Å; V431-R433 VanDerWaalsContact C-N 3.31Å; V431-R433 PolarHBondContact O-N 3.1Å; R433-A437 WeakPolarHBondContact O-CB 3.43Å; R433-A437 PolarHBondContact O-N 2.98Å; R433-A437 VanDerWaalsContact O-N 3.12Å; R433-C473 VanDerWaalsContact NH2-CB 3.34Å; R433-C473 PolarHBondContact NH2-O 2.91Å; R433-H475 PolarHBondContact NH2-NE2 3.36Å; R433-Y551 HydrophobicContact CB-CD1 4.5Å; R433-Y551 VanDerWaalsContact NH1-CE1 3.3Å; R433-Y551 PolarHBondContact NH1-OH 2.92Å; R433-Y551 VanDerWaalsContact NH1-OH 3.14Å
434	T	97.9	Very high	97.1	Very high	11 Å²	11	34.8 Å²	34.8	7%	0.067	19%	0.185	C	C	.	.	H	α-helix	trans	-69.6	-43.1	175.3	-63.9	0	0	0	0	111.4	K287 Y288 A291 V431 F432 S438	K287-T434 HydrophobicContact CG-CG2 4.46Å; Y288-T434 HydrophobicContact CD1-CG2 3.68Å; Y288-T434 HydrophobicContact CE1-CG2 3.8Å; A291-T434 HydrophobicContact CB-CG2 3.87Å; V431-T434 PolarHBondContact O-N 3.02Å; F432-T434 VanDerWaalsContact C-N 3.35Å; F432-T434 PolarHBondContact O-N 3.02Å; T434-S438 WeakPolarHBondContact O-CB 3.35Å; T434-S438 PolarHBondContact O-N 2.93Å; T434-S438 PolarHBondContact O-OG 3.32Å
435	Y	98.4	Very high	97.3	Very high	10 Å²	10	34 Å²	34	4%	0.039	18%	0.182	C	C	.	.	H	α-helix	trans	-58.3	-58.9	176	167.6	-108	0	0	0	111.4	A291 L294 D295 I298 V431 F432 A437 S438 K439 F593	A291-Y435 WeakPolarHBondContact O-CD2 3.29Å; L294-Y435 HydrophobicContact CD2-CD1 4.19Å; L294-Y435 HydrophobicContact CD2-CG 3.98Å; L294-Y435 HydrophobicContact CG-CG 4.35Å; D295-Y435 HydrophobicContact CB-CD2 4.17Å; D295-Y435 HydrophobicContact CB-CE2 3.51Å; D295-Y435 WeakPolarHBondContact OD1-CE2 3.29Å; D295-Y435 VanDerWaalsContact OD1-CZ 3.28Å; D295-Y435 PolarHBondContact OD1-OH 2.72Å; I298-Y435 HydrophobicContact CD1-CE1 4.33Å; I298-Y435 HydrophobicContact CG1-CE1 3.97Å; V431-Y435 WeakPolarHBondContact O-CB 3.47Å; V431-Y435 PolarHBondContact O-N 2.85Å; F432-Y435 PolarHBondContact O-N 3.33Å; Y435-A437 VanDerWaalsContact C-N 3.34Å; Y435-A437 PolarHBondContact O-N 2.8Å; Y435-S438 PolarHBondContact O-N 2.94Å; Y435-K439 HydrophobicContact CE2-CB 4.37Å; Y435-K439 HydrophobicContact CE2-CD 4.37Å; Y435-K439 WeakPolarHBondContact O-CB 3.41Å; Y435-K439 PolarHBondContact O-N 3.07Å; Y435-F593 AromaticContact CD2-CE1 3.9Å; Y435-F593 HydrophobicContact CD2-CE1 3.9Å; Y435-F593 HydrophobicContact CD2-CZ 4.39Å; Y435-F593 HydrophobicContact CE2-CE1 4.32Å
436	N	98.3	Very high	97.5	Very high	15 Å²	15	30.2 Å²	30.2	8%	0.08	17%	0.167	C	C	.	.	H	α-helix	trans	-59.2	-44.6	-179.2	-70.3	-26.7	0	0	0	111.6	D327 F432 S438 K439 T440 L472	D327-N436 PolarHBondContact O-ND2 2.98Å; F432-N436 WeakPolarHBondContact O-CB 3.29Å; F432-N436 VanDerWaalsContact O-CG 3.27Å; F432-N436 PolarHBondContact O-N 3.4Å; F432-N436 PolarHBondContact O-ND2 3.06Å; N436-S438 PolarHBondContact O-N 3.12Å; N436-K439 PolarHBondContact O-N 3.2Å; N436-T440 VanDerWaalsContact O-CB 3.25Å; N436-T440 WeakPolarHBondContact O-CB 3.34Å; N436-T440 PolarHBondContact O-N 3.23Å; N436-T440 PolarHBondContact O-OG1 2.62Å; N436-L472 HydrophobicContact CB-CD2 4.12Å
437	A	98.4	Very high	97.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-60.3	-45.8	177.8	0	0	0	0	0	112.5	R433 Y435 L441 V469 L552	R433-A437 WeakPolarHBondContact O-CB 3.43Å; R433-A437 PolarHBondContact O-N 2.98Å; R433-A437 VanDerWaalsContact O-N 3.12Å; Y435-A437 VanDerWaalsContact C-N 3.34Å; Y435-A437 PolarHBondContact O-N 2.8Å; A437-L441 PolarHBondContact O-N 3.49Å; A437-V469 HydrophobicContact CB-CG1 3.61Å; A437-V469 WeakPolarHBondContact O-CG2 3.37Å; A437-L552 HydrophobicContact CB-CD2 4.19Å; A437-L552 WeakPolarHBondContact O-CD2 3.43Å
438	S	98.6	Very high	97.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-69.4	-43.7	-179.5	-63.3	0	0	0	0	111.6	T434 Y435 N436 L441 Q442 Y551 D553 I556	T434-S438 WeakPolarHBondContact O-CB 3.35Å; T434-S438 PolarHBondContact O-N 2.93Å; T434-S438 PolarHBondContact O-OG 3.32Å; Y435-S438 PolarHBondContact O-N 2.94Å; N436-S438 PolarHBondContact O-N 3.12Å; S438-L441 PolarHBondContact O-N 2.85Å; S438-Q442 PolarHBondContact O-N 3.39Å; S438-Y551 PolarHBondContact OG-O 3.42Å; S438-D553 PolarHBondContact OG-N 3.48Å; S438-I556 VanDerWaalsContact O-CD1 3.32Å; S438-I556 WeakPolarHBondContact O-CD1 3.48Å
439	K	98.3	Very high	97.9	Very high	64 Å²	64	36.2 Å²	36.2	28%	0.278	19%	0.186	S	C	.	.	H	α-helix	trans	-62.9	-45.4	177.1	-160.3	74.2	176.2	-168.4	0	111.6	D295 Y435 N436 L441 Q442 S443 F593	D295-K439 IonicContact OD1-NZ 3.45Å; D295-K439 PolarHBondContact OD1-NZ 3.08Å; D295-K439 IonicContact OD2-NZ 3.29Å; D295-K439 PolarHBondContact OD2-NZ 2.86Å; Y435-K439 HydrophobicContact CE2-CB 4.37Å; Y435-K439 HydrophobicContact CE2-CD 4.37Å; Y435-K439 WeakPolarHBondContact O-CB 3.41Å; Y435-K439 PolarHBondContact O-N 3.07Å; N436-K439 PolarHBondContact O-N 3.2Å; K439-L441 PolarHBondContact O-N 2.98Å; K439-Q442 PolarHBondContact O-N 2.82Å; K439-S443 PolarHBondContact O-N 2.83Å; K439-S443 PolarHBondContact O-OG 3.16Å; K439-F593 HydrophobicContact CD-CD1 4.39Å
440	T	98.5	Very high	97.9	Very high	39 Å²	39	40.1 Å²	40.1	24%	0.239	21%	0.206	C	C	.	.	H	α-helix	trans	-60.3	-43	175.5	-62.5	0	0	0	0	111.6	N436 Q442 S443 Q444 A468 V469	N436-T440 VanDerWaalsContact O-CB 3.25Å; N436-T440 WeakPolarHBondContact O-CB 3.34Å; N436-T440 PolarHBondContact O-N 3.23Å; N436-T440 PolarHBondContact O-OG1 2.62Å; T440-Q442 PolarHBondContact O-N 2.66Å; T440-S443 PolarHBondContact O-N 2.9Å; T440-Q444 HydrophobicContact CG2-CG 4.03Å; T440-Q444 VanDerWaalsContact O-CB 3.28Å; T440-Q444 WeakPolarHBondContact O-CB 3.39Å; T440-Q444 WeakPolarHBondContact O-CG 3.49Å; T440-Q444 PolarHBondContact O-N 3.14Å; T440-A468 HydrophobicContact CG2-CB 4.42Å; T440-V469 HydrophobicContact CG2-CG2 3.87Å
441	L	98.6	Very high	97.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-59.2	-49.1	175.6	-178.3	69.4	0	0	0	111.2	A437 S438 K439 S443 Q444 L445 A465 N466 V469 L552 I556	A437-L441 PolarHBondContact O-N 3.49Å; S438-L441 PolarHBondContact O-N 2.85Å; K439-L441 PolarHBondContact O-N 2.98Å; L441-S443 PolarHBondContact O-N 3.48Å; L441-Q444 PolarHBondContact O-N 3.23Å; L441-L445 HydrophobicContact CD1-CD1 4.05Å; L441-L445 HydrophobicContact CD1-CG 4.12Å; L441-L445 HydrophobicContact CD2-CD1 4.36Å; L441-L445 HydrophobicContact CG-CD1 3.84Å; L441-L445 HydrophobicContact CG-CG 4.26Å; L441-L445 WeakPolarHBondContact O-CB 3.46Å; L441-L445 VanDerWaalsContact O-CG 3.28Å; L441-L445 WeakPolarHBondContact O-CG 3.46Å; L441-L445 PolarHBondContact O-N 3.3Å; L441-A465 HydrophobicContact CD1-CB 4.07Å; L441-N466 HydrophobicContact CD1-CB 4.47Å; L441-V469 HydrophobicContact CB-CG2 3.97Å; L441-L552 HydrophobicContact CB-CD2 3.65Å; L441-L552 HydrophobicContact CD1-CD1 4.3Å; L441-L552 HydrophobicContact CD2-CB 4.13Å; L441-L552 HydrophobicContact CD2-CD1 3.75Å; L441-L552 HydrophobicContact CD2-CD2 3.79Å; L441-L552 HydrophobicContact CD2-CG 4.08Å; L441-L552 HydrophobicContact CG-CD1 4.47Å; L441-L552 HydrophobicContact CG-CD2 4.23Å; L441-I556 HydrophobicContact CD2-CB 4.27Å; L441-I556 HydrophobicContact CD2-CG2 3.9Å; L441-I556 HydrophobicContact CG-CG2 4.18Å
442	Q	98.5	Very high	97.8	Very high	19 Å²	19	40.8 Å²	40.8	9%	0.089	23%	0.23	C	C	.	.	H	α-helix	trans	-57.7	-50.7	-179.6	-176.8	66.6	79	0	0	111.2	S438 K439 T440 Q444 L445 D446 I556	S438-Q442 PolarHBondContact O-N 3.39Å; K439-Q442 PolarHBondContact O-N 2.82Å; T440-Q442 PolarHBondContact O-N 2.66Å; Q442-Q444 PolarHBondContact O-N 3.23Å; Q442-L445 PolarHBondContact O-N 2.98Å; Q442-D446 PolarHBondContact NE2-OD1 3.37Å; Q442-D446 PolarHBondContact O-N 3.05Å; Q442-I556 HydrophobicContact CB-CD1 4.4Å; Q442-I556 HydrophobicContact CB-CG2 4.35Å
443	S	98.3	Very high	97.6	Very high	60 Å²	60	41.6 Å²	41.6	42%	0.42	24%	0.237	S	C	.	.	H	α-helix	trans	-62.6	-40.2	179.3	-61.8	0	0	0	0	112.9	K439 T440 L441 D446 L447	K439-S443 PolarHBondContact O-N 2.83Å; K439-S443 PolarHBondContact O-OG 3.16Å; T440-S443 PolarHBondContact O-N 2.9Å; L441-S443 PolarHBondContact O-N 3.48Å; S443-D446 PolarHBondContact O-N 3.23Å; S443-L447 WeakPolarHBondContact O-CB 3.45Å; S443-L447 PolarHBondContact O-N 3.12Å
444	Q	98.4	Very high	97.5	Very high	54 Å²	54	44.2 Å²	44.2	25%	0.252	25%	0.254	S	S	.	.	H	α-helix	trans	-72.1	-35.6	179.4	-70.4	-68.9	-52.8	0	0	112.2	T440 L441 Q442 D446 L447 L448 A465 A468	T440-Q444 HydrophobicContact CG2-CG 4.03Å; T440-Q444 VanDerWaalsContact O-CB 3.28Å; T440-Q444 WeakPolarHBondContact O-CB 3.39Å; T440-Q444 WeakPolarHBondContact O-CG 3.49Å; T440-Q444 PolarHBondContact O-N 3.14Å; L441-Q444 PolarHBondContact O-N 3.23Å; Q442-Q444 PolarHBondContact O-N 3.23Å; Q444-D446 VanDerWaalsContact C-N 3.34Å; Q444-L447 PolarHBondContact O-N 2.87Å; Q444-L448 HydrophobicContact CB-CD1 4.39Å; Q444-L448 VanDerWaalsContact O-CB 3.23Å; Q444-L448 WeakPolarHBondContact O-CB 3.5Å; Q444-L448 VanDerWaalsContact O-CG 3.23Å; Q444-L448 WeakPolarHBondContact O-CG 3.39Å; Q444-L448 PolarHBondContact O-N 2.78Å; Q444-A465 HydrophobicContact CB-CB 3.57Å; Q444-A468 HydrophobicContact CG-CB 4.02Å
445	L	98.4	Very high	97.4	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.016	27%	0.266	C	S	.	.	H	α-helix	trans	-65.5	-40.2	173.2	-71.1	175	0	0	0	111.3	L441 Q442 L447 T449 Y462 A465 I556 W560	L441-L445 HydrophobicContact CD1-CD1 4.05Å; L441-L445 HydrophobicContact CD1-CG 4.12Å; L441-L445 HydrophobicContact CD2-CD1 4.36Å; L441-L445 HydrophobicContact CG-CD1 3.84Å; L441-L445 HydrophobicContact CG-CG 4.26Å; L441-L445 WeakPolarHBondContact O-CB 3.46Å; L441-L445 VanDerWaalsContact O-CG 3.28Å; L441-L445 WeakPolarHBondContact O-CG 3.46Å; L441-L445 PolarHBondContact O-N 3.3Å; Q442-L445 PolarHBondContact O-N 2.98Å; L445-L447 VanDerWaalsContact C-N 3.31Å; L445-L447 PolarHBondContact O-N 2.78Å; L445-T449 WeakPolarHBondContact O-CB 3.13Å; L445-T449 PolarHBondContact O-N 3.19Å; L445-T449 VanDerWaalsContact O-N 3.16Å; L445-T449 PolarHBondContact O-OG1 2.75Å; L445-Y462 HydrophobicContact CD1-CD2 4.38Å; L445-Y462 HydrophobicContact CD1-CE2 4.29Å; L445-Y462 HydrophobicContact CD2-CD2 3.7Å; L445-Y462 HydrophobicContact CD2-CE2 4.36Å; L445-Y462 HydrophobicContact CD2-CG 4.24Å; L445-A465 HydrophobicContact CD2-CB 3.72Å; L445-A465 HydrophobicContact CG-CB 4.01Å; L445-I556 HydrophobicContact CD1-CG2 3.93Å; L445-W560 HydrophobicContact CD1-CB 4.14Å; L445-W560 HydrophobicContact CD1-CG 4.02Å; L445-W560 HydrophobicContact CD2-CD2 4.43Å; L445-W560 HydrophobicContact CD2-CG 4.36Å
446	D	97.8	Very high	97.2	Very high	79 Å²	79	47.9 Å²	47.9	42%	0.422	28%	0.278	S	S	.	.	H	α-helix	trans	-63.6	-37.6	175.7	-67.6	-18.5	0	0	0	112.1	Q442 S443 Q444 R592	Q442-D446 PolarHBondContact NE2-OD1 3.37Å; Q442-D446 PolarHBondContact O-N 3.05Å; S443-D446 PolarHBondContact O-N 3.23Å; Q444-D446 VanDerWaalsContact C-N 3.34Å; D446-R592 IonicContact OD1-CZ 3.37Å; D446-R592 IonicContact OD1-NH1 2.79Å; D446-R592 PolarHBondContact OD1-NH1 3.02Å; D446-R592 IonicContact OD1-NH2 2.7Å; D446-R592 IonicContact OD2-CZ 2.8Å; D446-R592 IonicContact OD2-NH1 4Å; D446-R592 PolarHBondContact OD2-NH1 3.29Å; D446-R592 IonicContact OD2-NH2 3.16Å
447	L	97.9	Very high	97.1	Very high	131 Å²	131	49.6 Å²	49.6	69%	0.686	29%	0.286	S	S	*	.	H	α-helix	trans	-77.8	-42.2	-178.8	-178.9	64.2	0	0	0	113.4	S443 Q444 L445	S443-L447 WeakPolarHBondContact O-CB 3.45Å; S443-L447 PolarHBondContact O-N 3.12Å; Q444-L447 PolarHBondContact O-N 2.87Å; L445-L447 VanDerWaalsContact C-N 3.31Å; L445-L447 PolarHBondContact O-N 2.78Å
448	L	97.1	Very high	97	Very high	67 Å²	67	50.6 Å²	50.6	35%	0.351	29%	0.29	S	S	.	.	H	α-helix	trans	-96	-14.7	-167.5	-60.8	176.3	0	0	0	113.9	Q444 D450 A461 R464 A465	Q444-L448 HydrophobicContact CB-CD1 4.39Å; Q444-L448 VanDerWaalsContact O-CB 3.23Å; Q444-L448 WeakPolarHBondContact O-CB 3.5Å; Q444-L448 VanDerWaalsContact O-CG 3.23Å; Q444-L448 WeakPolarHBondContact O-CG 3.39Å; Q444-L448 PolarHBondContact O-N 2.78Å; L448-D450 PolarHBondContact O-N 2.79Å; L448-A461 HydrophobicContact CB-CB 4.29Å; L448-A461 WeakPolarHBondContact O-CB 3.44Å; L448-R464 HydrophobicContact CD1-CB 3.97Å; L448-A465 HydrophobicContact CD1-CB 4.33Å
449	T	97.4	Very high	96.9	Very high	16 Å²	16	52.4 Å²	52.4	10%	0.098	30%	0.3	C	S	.	.			trans	-88.7	111.8	-175.2	-50.3	0	0	0	0	110.9	L445 P451 K458 W560	L445-T449 WeakPolarHBondContact O-CB 3.13Å; L445-T449 PolarHBondContact O-N 3.19Å; L445-T449 VanDerWaalsContact O-N 3.16Å; L445-T449 PolarHBondContact O-OG1 2.75Å; T449-P451 WeakPolarHBondContact O-CD 3.47Å; T449-K458 HydrophobicContact CG2-CG 4.39Å; T449-W560 HydrophobicContact CG2-CZ2 4.11Å; T449-W560 PolarHBondContact OG1-NE1 3.48Å
450	D	96.7	Very high	96.8	Very high	83 Å²	83	50 Å²	50	44%	0.444	29%	0.29	S	S	.	.			trans	-80	120.7	164.7	176.5	-4.2	0	0	0	109.9	L448 S452 A453 K458	L448-D450 PolarHBondContact O-N 2.79Å; D450-S452 VanDerWaalsContact CG-OG 3.28Å; D450-S452 PolarHBondContact O-N 3.47Å; D450-S452 WeakPolarHBondContact OD1-CB 3.43Å; D450-S452 PolarHBondContact OD1-N 2.88Å; D450-S452 PolarHBondContact OD1-OG 3.14Å; D450-S452 PolarHBondContact OD2-OG 3.26Å; D450-A453 HydrophobicContact CB-CB 3.88Å; D450-A453 WeakPolarHBondContact O-CB 3.35Å; D450-A453 PolarHBondContact O-N 3.25Å; D450-K458 WeakPolarHBondContact O-CE 3.44Å
451	P	94.4	Very high	96.8	Very high	92 Å²	92	48.7 Å²	48.7	60%	0.597	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-32	177.7	-23.5	34.6	0	0	0	114	T449 K458	T449-P451 WeakPolarHBondContact O-CD 3.47Å; P451-K458 VanDerWaalsContact O-CE 3.3Å; P451-K458 WeakPolarHBondContact O-CE 3.45Å; P451-K458 PolarHBondContact O-NZ 2.97Å
452	S	95.4	Very high	96.8	Very high	102 Å²	102	48.7 Å²	48.7	71%	0.713	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-13	-177.7	74.2	0	0	0	0	113.6	D450	D450-S452 VanDerWaalsContact CG-OG 3.28Å; D450-S452 PolarHBondContact O-N 3.47Å; D450-S452 WeakPolarHBondContact OD1-CB 3.43Å; D450-S452 PolarHBondContact OD1-N 2.88Å; D450-S452 PolarHBondContact OD1-OG 3.14Å; D450-S452 PolarHBondContact OD2-OG 3.26Å
453	A	95.1	Very high	96.7	Very high	17 Å²	17	49.4 Å²	49.4	14%	0.14	29%	0.287	C	S	.	.	S	Bend	trans	-66.7	153.6	-178.2	0	0	0	0	0	113.2	D450 E457 K458	D450-A453 HydrophobicContact CB-CB 3.88Å; D450-A453 WeakPolarHBondContact O-CB 3.35Å; D450-A453 PolarHBondContact O-N 3.25Å; A453-E457 HydrophobicContact CB-CB 3.89Å; A453-K458 HydrophobicContact CB-CG 4.19Å; A453-K458 WeakPolarHBondContact O-CD 3.5Å; A453-K458 WeakPolarHBondContact O-CE 3.46Å; A453-K458 PolarHBondContact O-NZ 3.02Å
454	T	94.8	Very high	96.7	Very high	66 Å²	66	51.3 Å²	51.3	41%	0.405	29%	0.285	S	S	.	.			trans	-67.5	159	176.7	65.9	0	0	0	0	111.2	E457 K458	T454-E457 VanDerWaalsContact CB-OE2 3.31Å; T454-E457 WeakPolarHBondContact CB-OE2 3.46Å; T454-E457 WeakPolarHBondContact CG2-OE2 3.5Å; T454-E457 PolarHBondContact N-OE2 3.48Å; T454-E457 PolarHBondContact O-N 2.92Å; T454-E457 WeakPolarHBondContact OG1-CG 3.33Å; T454-E457 PolarHBondContact OG1-OE2 3.45Å; T454-K458 PolarHBondContact O-N 3.05Å
455	V	95.1	Very high	96.7	Very high	52 Å²	52	48.7 Å²	48.7	32%	0.315	27%	0.273	S	S	.	.	H	α-helix	trans	-53.5	-44.6	177.5	176.2	0	0	0	0	112.6	E457 K458 L459 V566	V455-E457 VanDerWaalsContact C-N 3.34Å; V455-E457 PolarHBondContact O-N 3.05Å; V455-K458 PolarHBondContact O-N 2.9Å; V455-L459 HydrophobicContact CG1-CD1 4.17Å; V455-L459 HydrophobicContact CG1-CG 4.39Å; V455-L459 VanDerWaalsContact O-CG 3.25Å; V455-L459 WeakPolarHBondContact O-CG 3.46Å; V455-L459 PolarHBondContact O-N 3.46Å; V455-V566 HydrophobicContact CG1-CG1 4.36Å
456	P	95.1	Very high	96.7	Very high	46 Å²	46	48.6 Å²	48.6	30%	0.299	27%	0.273	S	S	.	.	H	α-helix	trans	-58.2	-39.4	174.6	-26.8	36.6	0	0	0	114.7	L459 L460 L531	P456-L459 PolarHBondContact O-N 3.11Å; P456-L460 PolarHBondContact O-N 2.93Å; P456-L460 VanDerWaalsContact O-N 3.12Å; P456-L531 HydrophobicContact CB-CD1 3.83Å
457	E	96	Very high	96.7	Very high	51 Å²	51	48.2 Å²	48.2	24%	0.238	27%	0.265	C	S	.	.	H	α-helix	trans	-69.8	-43.5	178.4	-70.8	166.3	133.6	0	0	111.3	A453 T454 V455 L459 L460 A461 K527 L531	A453-E457 HydrophobicContact CB-CB 3.89Å; T454-E457 VanDerWaalsContact CB-OE2 3.31Å; T454-E457 WeakPolarHBondContact CB-OE2 3.46Å; T454-E457 WeakPolarHBondContact CG2-OE2 3.5Å; T454-E457 PolarHBondContact N-OE2 3.48Å; T454-E457 PolarHBondContact O-N 2.92Å; T454-E457 WeakPolarHBondContact OG1-CG 3.33Å; T454-E457 PolarHBondContact OG1-OE2 3.45Å; V455-E457 VanDerWaalsContact C-N 3.34Å; V455-E457 PolarHBondContact O-N 3.05Å; E457-L459 PolarHBondContact O-N 3.39Å; E457-L460 WeakPolarHBondContact O-CB 3.12Å; E457-L460 PolarHBondContact O-N 3.5Å; E457-L460 VanDerWaalsContact O-N 3.09Å; E457-A461 PolarHBondContact O-N 3.44Å; E457-K527 WeakPolarHBondContact OE1-CE 3.42Å; E457-K527 IonicContact OE1-NZ 3.76Å; E457-K527 PolarHBondContact OE1-NZ 3.13Å; E457-K527 IonicContact OE2-NZ 3.77Å; E457-L531 HydrophobicContact CG-CD1 3.75Å; E457-L531 HydrophobicContact CG-CD2 4.37Å
458	K	97.6	Very high	96.7	Very high	21 Å²	21	43.4 Å²	43.4	9%	0.091	24%	0.244	C	C	.	.	H	α-helix	trans	-57.8	-38.1	172.8	-72.8	171.9	171	163.8	0	111.8	T449 D450 P451 A453 T454 V455 A461 Y462 W560 H564 V566	T449-K458 HydrophobicContact CG2-CG 4.39Å; D450-K458 WeakPolarHBondContact O-CE 3.44Å; P451-K458 VanDerWaalsContact O-CE 3.3Å; P451-K458 WeakPolarHBondContact O-CE 3.45Å; P451-K458 PolarHBondContact O-NZ 2.97Å; A453-K458 HydrophobicContact CB-CG 4.19Å; A453-K458 WeakPolarHBondContact O-CD 3.5Å; A453-K458 WeakPolarHBondContact O-CE 3.46Å; A453-K458 PolarHBondContact O-NZ 3.02Å; T454-K458 PolarHBondContact O-N 3.05Å; V455-K458 PolarHBondContact O-N 2.9Å; K458-A461 PolarHBondContact O-N 3.39Å; K458-Y462 PolarHBondContact O-N 2.79Å; K458-W560 HydrophobicContact CB-CH2 3.92Å; K458-W560 HydrophobicContact CB-CZ2 3.94Å; K458-W560 WeakPolarHBondContact O-CH2 3.29Å; K458-W560 WeakPolarHBondContact O-CZ2 3.19Å; K458-H564 HydrophobicContact CD-CB 4.14Å; K458-H564 PolarHBondContact NZ-O 2.81Å; K458-V566 HydrophobicContact CB-CG2 4.19Å; K458-V566 HydrophobicContact CD-CG2 4.01Å
459	L	96.6	Very high	96.7	Very high	38 Å²	38	40.2 Å²	40.2	20%	0.199	23%	0.227	C	C	.	.	H	α-helix	trans	-66.6	-38.6	175.2	-69.9	172.8	0	0	0	112.6	V455 P456 E457 Y462 N463 V566 K570 I571	V455-L459 HydrophobicContact CG1-CD1 4.17Å; V455-L459 HydrophobicContact CG1-CG 4.39Å; V455-L459 VanDerWaalsContact O-CG 3.25Å; V455-L459 WeakPolarHBondContact O-CG 3.46Å; V455-L459 PolarHBondContact O-N 3.46Å; P456-L459 PolarHBondContact O-N 3.11Å; E457-L459 PolarHBondContact O-N 3.39Å; L459-Y462 PolarHBondContact O-N 3.49Å; L459-N463 PolarHBondContact O-N 3.03Å; L459-V566 HydrophobicContact CD2-CG1 4.04Å; L459-K570 HydrophobicContact CD1-CB 4.1Å; L459-K570 HydrophobicContact CD1-CG 4.43Å; L459-K570 HydrophobicContact CD2-CB 3.75Å; L459-I571 HydrophobicContact CD2-CD1 3.52Å; L459-I571 HydrophobicContact CD2-CG1 4.45Å
460	L	96.1	Very high	96.7	Very high	15 Å²	15	39.4 Å²	39.4	8%	0.079	22%	0.223	C	C	.	.	H	α-helix	trans	-63.8	-44.8	173.1	179.2	63.6	0	0	0	110.8	P456 E457 Y462 N463 R464 L531 T534 D535	P456-L460 PolarHBondContact O-N 2.93Å; P456-L460 VanDerWaalsContact O-N 3.12Å; E457-L460 WeakPolarHBondContact O-CB 3.12Å; E457-L460 PolarHBondContact O-N 3.5Å; E457-L460 VanDerWaalsContact O-N 3.09Å; L460-Y462 VanDerWaalsContact C-N 3.34Å; L460-Y462 PolarHBondContact O-N 3Å; L460-N463 PolarHBondContact O-N 3.36Å; L460-R464 WeakPolarHBondContact O-CG 3.28Å; L460-R464 PolarHBondContact O-N 3.4Å; L460-L531 HydrophobicContact CD2-CD2 3.47Å; L460-L531 VanDerWaalsContact CD2-CD2 3.47Å; L460-T534 HydrophobicContact CD1-CG2 4.48Å; L460-T534 HydrophobicContact CD2-CG2 4.36Å; L460-D535 HydrophobicContact CD1-CB 3.86Å
461	A	97.8	Very high	96.7	Very high	11 Å²	11	40.1 Å²	40.1	9%	0.091	23%	0.225	C	C	.	.	H	α-helix	trans	-58.2	-44.8	175.3	0	0	0	0	0	111.9	L448 E457 K458 N463 R464 A465	L448-A461 HydrophobicContact CB-CB 4.29Å; L448-A461 WeakPolarHBondContact O-CB 3.44Å; E457-A461 PolarHBondContact O-N 3.44Å; K458-A461 PolarHBondContact O-N 3.39Å; A461-N463 PolarHBondContact O-N 3.09Å; A461-R464 PolarHBondContact O-N 3.31Å; A461-A465 WeakPolarHBondContact O-CB 3.45Å; A461-A465 PolarHBondContact O-N 3.23Å
462	Y	98.1	Very high	96.8	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59.1	-45	174.6	-175.5	-76.8	0	0	0	112.1	L445 K458 L459 L460 A465 N466 S557 W560 I571	L445-Y462 HydrophobicContact CD1-CD2 4.38Å; L445-Y462 HydrophobicContact CD1-CE2 4.29Å; L445-Y462 HydrophobicContact CD2-CD2 3.7Å; L445-Y462 HydrophobicContact CD2-CE2 4.36Å; L445-Y462 HydrophobicContact CD2-CG 4.24Å; K458-Y462 PolarHBondContact O-N 2.79Å; L459-Y462 PolarHBondContact O-N 3.49Å; L460-Y462 VanDerWaalsContact C-N 3.34Å; L460-Y462 PolarHBondContact O-N 3Å; Y462-A465 PolarHBondContact O-N 3.19Å; Y462-N466 HydrophobicContact CE1-CB 4.46Å; Y462-N466 PolarHBondContact O-N 2.97Å; Y462-S557 PolarHBondContact OH-OG 3.35Å; Y462-W560 HydrophobicContact CD2-CD2 4.07Å; Y462-W560 AromaticContact CD2-CE3 3.77Å; Y462-W560 HydrophobicContact CD2-CE3 3.77Å; Y462-W560 HydrophobicContact CD2-CH2 4.2Å; Y462-W560 HydrophobicContact CD2-CZ2 4.48Å; Y462-W560 AromaticContact CD2-CZ3 3.84Å; Y462-W560 HydrophobicContact CD2-CZ3 3.84Å; Y462-W560 HydrophobicContact CE2-CE3 4.35Å; Y462-W560 HydrophobicContact CG-CH2 4.47Å; Y462-W560 HydrophobicContact CG-CZ3 4.41Å; Y462-I571 HydrophobicContact CD1-CD1 3.78Å; Y462-I571 HydrophobicContact CD2-CD1 3.85Å; Y462-I571 HydrophobicContact CE1-CD1 4.14Å; Y462-I571 HydrophobicContact CE1-CG2 4.04Å; Y462-I571 HydrophobicContact CE2-CD1 4.16Å; Y462-I571 HydrophobicContact CE2-CG1 4.47Å; Y462-I571 HydrophobicContact CE2-CG2 4.11Å; Y462-I571 HydrophobicContact CG-CD1 3.66Å
463	N	97.3	Very high	96.8	Very high	33 Å²	33	33.4 Å²	33.4	18%	0.176	18%	0.176	C	C	.	.	H	α-helix	trans	-66.3	-38.5	179.6	-77.4	-12.4	0	0	0	111.9	L459 L460 A461 N466 R467 D535 L544	L459-N463 PolarHBondContact O-N 3.03Å; L460-N463 PolarHBondContact O-N 3.36Å; A461-N463 PolarHBondContact O-N 3.09Å; N463-N466 PolarHBondContact O-N 3.1Å; N463-R467 VanDerWaalsContact O-CB 3.3Å; N463-R467 WeakPolarHBondContact O-CB 3.49Å; N463-R467 PolarHBondContact O-N 3.49Å; N463-D535 VanDerWaalsContact CB-OD1 3.22Å; N463-D535 WeakPolarHBondContact CB-OD1 3.34Å; N463-D535 VanDerWaalsContact ND2-CG 3.25Å; N463-D535 PolarHBondContact ND2-OD1 3.33Å; N463-D535 PolarHBondContact ND2-OD2 2.92Å; N463-L544 HydrophobicContact CB-CD1 4.42Å
464	R	97.9	Very high	96.9	Very high	100 Å²	100	33.5 Å²	33.5	38%	0.377	18%	0.175	S	C	.	.	H	α-helix	trans	-62.5	-43.3	172	-75.3	177.6	173	167	-1.2	112.1	L448 L460 A461 N466 R467 A468 E538	L448-R464 HydrophobicContact CD1-CB 3.97Å; L460-R464 WeakPolarHBondContact O-CG 3.28Å; L460-R464 PolarHBondContact O-N 3.4Å; A461-R464 PolarHBondContact O-N 3.31Å; R464-N466 PolarHBondContact O-N 2.67Å; R464-R467 WeakPolarHBondContact O-CB 3.44Å; R464-R467 PolarHBondContact O-N 2.84Å; R464-R467 VanDerWaalsContact O-N 3.13Å; R464-A468 PolarHBondContact O-N 3.42Å; R464-E538 WeakPolarHBondContact CG-OE2 3.44Å; R464-E538 IonicContact CZ-OE1 3.53Å; R464-E538 VanDerWaalsContact CZ-OE1 3.31Å; R464-E538 IonicContact NE-OE1 2.71Å; R464-E538 PolarHBondContact NE-OE1 3.49Å; R464-E538 IonicContact NE-OE2 3.36Å; R464-E538 PolarHBondContact NE-OE2 2.9Å; R464-E538 IonicContact NH2-OE1 3.24Å; R464-E538 PolarHBondContact NH2-OE1 2.77Å
465	A	98.4	Very high	96.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60	-45.3	174.4	0	0	0	0	0	111.9	L441 Q444 L445 L448 A461 Y462 R467 A468 V469	L441-A465 HydrophobicContact CD1-CB 4.07Å; Q444-A465 HydrophobicContact CB-CB 3.57Å; L445-A465 HydrophobicContact CD2-CB 3.72Å; L445-A465 HydrophobicContact CG-CB 4.01Å; L448-A465 HydrophobicContact CD1-CB 4.33Å; A461-A465 WeakPolarHBondContact O-CB 3.45Å; A461-A465 PolarHBondContact O-N 3.23Å; Y462-A465 PolarHBondContact O-N 3.19Å; A465-R467 VanDerWaalsContact C-N 3.32Å; A465-R467 PolarHBondContact O-N 3.45Å; A465-A468 PolarHBondContact O-N 3.36Å; A465-V469 PolarHBondContact O-N 3.36Å
466	N	98.1	Very high	96.8	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-69.2	-29.3	175.2	-172.3	26.8	0	0	0	112.8	L441 Y462 N463 R464 V469 A470 L544 S547 L552	L441-N466 HydrophobicContact CD1-CB 4.47Å; Y462-N466 HydrophobicContact CE1-CB 4.46Å; Y462-N466 PolarHBondContact O-N 2.97Å; N463-N466 PolarHBondContact O-N 3.1Å; R464-N466 PolarHBondContact O-N 2.67Å; N466-V469 WeakPolarHBondContact O-CB 3.37Å; N466-V469 PolarHBondContact O-N 3.29Å; N466-A470 WeakPolarHBondContact O-CB 3.35Å; N466-A470 PolarHBondContact O-N 2.77Å; N466-L544 HydrophobicContact CB-CD2 4.41Å; N466-L544 PolarHBondContact ND2-O 2.77Å; N466-L544 VanDerWaalsContact ND2-O 3.14Å; N466-S547 PolarHBondContact OD1-OG 3.35Å; N466-L552 VanDerWaalsContact OD1-CD1 3.27Å; N466-L552 WeakPolarHBondContact OD1-CD1 3.44Å
467	R	97.3	Very high	96.6	Very high	71 Å²	71	35.8 Å²	35.8	27%	0.268	17%	0.168	S	C	.	.	H	α-helix	trans	-64.2	-43.8	174.3	-176.2	-176	176.6	-161.1	-0.5	110.8	N463 R464 A465 V469 A470 I471 E538 I542 L544	N463-R467 VanDerWaalsContact O-CB 3.3Å; N463-R467 WeakPolarHBondContact O-CB 3.49Å; N463-R467 PolarHBondContact O-N 3.49Å; R464-R467 WeakPolarHBondContact O-CB 3.44Å; R464-R467 PolarHBondContact O-N 2.84Å; R464-R467 VanDerWaalsContact O-N 3.13Å; A465-R467 VanDerWaalsContact C-N 3.32Å; A465-R467 PolarHBondContact O-N 3.45Å; R467-V469 VanDerWaalsContact C-N 3.27Å; R467-V469 PolarHBondContact O-N 3.49Å; R467-A470 PolarHBondContact O-N 2.81Å; R467-A470 VanDerWaalsContact O-N 3.11Å; R467-I471 HydrophobicContact CG-CD1 4.04Å; R467-I471 WeakPolarHBondContact O-CG1 3.45Å; R467-I471 PolarHBondContact O-N 3.1Å; R467-E538 PolarHBondContact NE-O 3.15Å; R467-E538 IonicContact NH1-OE2 2.7Å; R467-E538 PolarHBondContact NH1-OE2 2.6Å; R467-E538 PolarHBondContact NH2-O 3.05Å; R467-I542 HydrophobicContact CG-CG1 4.44Å; R467-I542 HydrophobicContact CG-CG2 4.34Å; R467-L544 HydrophobicContact CB-CD2 4.05Å
468	A	97.8	Very high	96.3	Very high	29 Å²	29	38.3 Å²	38.3	24%	0.24	19%	0.192	C	C	.	.	H	α-helix	trans	-56.6	-42.6	173.7	0	0	0	0	0	111.8	T440 Q444 R464 A465 I471 L472	T440-A468 HydrophobicContact CG2-CB 4.42Å; Q444-A468 HydrophobicContact CG-CB 4.02Å; R464-A468 PolarHBondContact O-N 3.42Å; A465-A468 PolarHBondContact O-N 3.36Å; A468-I471 PolarHBondContact O-N 2.8Å; A468-L472 PolarHBondContact O-N 2.91Å
469	V	98.1	Very high	96.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-63.7	-44.3	174.5	177.1	0	0	0	0	112	A437 T440 L441 A465 N466 R467 I471 L472 C473 L552	A437-V469 HydrophobicContact CB-CG1 3.61Å; A437-V469 WeakPolarHBondContact O-CG2 3.37Å; T440-V469 HydrophobicContact CG2-CG2 3.87Å; L441-V469 HydrophobicContact CB-CG2 3.97Å; A465-V469 PolarHBondContact O-N 3.36Å; N466-V469 WeakPolarHBondContact O-CB 3.37Å; N466-V469 PolarHBondContact O-N 3.29Å; R467-V469 VanDerWaalsContact C-N 3.27Å; R467-V469 PolarHBondContact O-N 3.49Å; V469-I471 VanDerWaalsContact C-N 3.32Å; V469-I471 PolarHBondContact O-N 3.5Å; V469-L472 PolarHBondContact O-N 3.32Å; V469-C473 WeakPolarHBondContact O-CB 3.44Å; V469-C473 PolarHBondContact O-N 3.48Å; V469-L552 HydrophobicContact CB-CD2 4.46Å; V469-L552 HydrophobicContact CG1-CD2 3.85Å; V469-L552 HydrophobicContact CG2-CD2 4.1Å
470	A	97.3	Very high	95.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-64.2	-37.9	180	0	0	0	0	0	111.6	N466 R467 C473 N474 H475 I542 L544	N466-A470 WeakPolarHBondContact O-CB 3.35Å; N466-A470 PolarHBondContact O-N 2.77Å; R467-A470 PolarHBondContact O-N 2.81Å; R467-A470 VanDerWaalsContact O-N 3.11Å; A470-C473 PolarHBondContact O-N 3.07Å; A470-N474 PolarHBondContact O-N 2.88Å; A470-N474 VanDerWaalsContact O-N 3.12Å; A470-H475 HydrophobicContact CB-CB 4.11Å; A470-H475 PolarHBondContact O-N 3.04Å; A470-I542 HydrophobicContact CB-CG2 3.41Å; A470-I542 VanDerWaalsContact CB-CG2 3.41Å; A470-L544 HydrophobicContact CB-CD2 4.07Å
471	I	96.2	Very high	95.5	Very high	97 Å²	97	50.2 Å²	50.2	50%	0.497	25%	0.252	S	S	.	.	H	α-helix	trans	-62.6	-52.4	173	-69	165.6	0	0	0	110.1	R467 A468 V469 C473 N474 I542	R467-I471 HydrophobicContact CG-CD1 4.04Å; R467-I471 WeakPolarHBondContact O-CG1 3.45Å; R467-I471 PolarHBondContact O-N 3.1Å; A468-I471 PolarHBondContact O-N 2.8Å; V469-I471 VanDerWaalsContact C-N 3.32Å; V469-I471 PolarHBondContact O-N 3.5Å; I471-C473 PolarHBondContact O-N 2.89Å; I471-C473 VanDerWaalsContact O-N 3.16Å; I471-N474 PolarHBondContact O-N 3.44Å; I471-I542 HydrophobicContact CG1-CD1 4.11Å
472	L	96.4	Very high	95.2	Very high	49 Å²	49	53.6 Å²	53.6	26%	0.257	28%	0.275	S	S	.	.	H	α-helix	trans	-53	-39.9	176.8	176.2	65	0	0	0	112.1	A330 N436 A468 V469 N474	A330-L472 HydrophobicContact CB-CD1 4.11Å; A330-L472 HydrophobicContact CB-CG 3.97Å; N436-L472 HydrophobicContact CB-CD2 4.12Å; A468-L472 PolarHBondContact O-N 2.91Å; V469-L472 PolarHBondContact O-N 3.32Å; L472-N474 VanDerWaalsContact C-N 3.33Å; L472-N474 PolarHBondContact O-N 2.75Å
473	C	96.6	Very high	94.8	Very high	4 Å²	4	55.1 Å²	55.1	3%	0.027	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	1.2	-178.8	-83.3	0	0	0	0	115.2	R433 V469 A470 I471 H475	R433-C473 VanDerWaalsContact NH2-CB 3.34Å; R433-C473 PolarHBondContact NH2-O 2.91Å; V469-C473 WeakPolarHBondContact O-CB 3.44Å; V469-C473 PolarHBondContact O-N 3.48Å; A470-C473 PolarHBondContact O-N 3.07Å; I471-C473 PolarHBondContact O-N 2.89Å; I471-C473 VanDerWaalsContact O-N 3.16Å; C473-H475 VanDerWaalsContact C-N 3.35Å; C473-H475 WeakPolarHBondContact CB-NE2 3.46Å; C473-H475 PolarHBondContact O-CD2 3.5Å; C473-H475 VanDerWaalsContact O-CD2 3.29Å; C473-H475 PolarHBondContact O-N 3.03Å
474	N	96.6	Very high	94.6	Very high	20 Å²	20	61.2 Å²	61.2	11%	0.107	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	46.5	-171	-161.6	37.8	0	0	0	113.7	R379 Y380 A470 I471 L472 Q476	R379-N474 PolarHBondContact O-ND2 2.93Å; Y380-N474 HydrophobicContact CD2-CB 3.77Å; Y380-N474 HydrophobicContact CE2-CB 4.18Å; A470-N474 PolarHBondContact O-N 2.88Å; A470-N474 VanDerWaalsContact O-N 3.12Å; I471-N474 PolarHBondContact O-N 3.44Å; L472-N474 VanDerWaalsContact C-N 3.33Å; L472-N474 PolarHBondContact O-N 2.75Å; N474-Q476 VanDerWaalsContact C-N 3.33Å; N474-Q476 PolarHBondContact O-N 2.91Å; N474-Q476 VanDerWaalsContact OD1-CD 3.24Å; N474-Q476 WeakPolarHBondContact OD1-CG 3.4Å; N474-Q476 PolarHBondContact OD1-NE2 2.8Å
475	H	95.5	Very high	94.4	Very high	9 Å²	9	63.3 Å²	63.3	4%	0.042	32%	0.321	C	S	.	.			trans	-86.4	74.6	175.8	-67.4	171	0	0	0	110.3	R433 A470 C473 A543 S547 Y551	R433-H475 PolarHBondContact NH2-NE2 3.36Å; A470-H475 HydrophobicContact CB-CB 4.11Å; A470-H475 PolarHBondContact O-N 3.04Å; C473-H475 VanDerWaalsContact C-N 3.35Å; C473-H475 WeakPolarHBondContact CB-NE2 3.46Å; C473-H475 PolarHBondContact O-CD2 3.5Å; C473-H475 VanDerWaalsContact O-CD2 3.29Å; C473-H475 PolarHBondContact O-N 3.03Å; H475-A543 HydrophobicContact CB-CB 4.46Å; H475-A543 PolarHBondContact O-N 3.47Å; H475-S547 PolarHBondContact ND1-N 3.05Å; H475-Y551 AromaticContact CE1-CD2 3.69Å; H475-Y551 AromaticContact CE1-CE2 3.62Å; H475-Y551 AromaticContact NE2-CE2 3.84Å
476	Q	92.5	Very high	94.2	Very high	89 Å²	89	65.2 Å²	65.2	42%	0.416	34%	0.335	S	S	.	.	B	Isolated β-bridge	trans	-88.2	159.8	178.8	-58.5	-175.6	-0.8	0	0	112.3	I378 N474 T541	I378-Q476 HydrophobicContact CG2-CB 4.02Å; I378-Q476 HydrophobicContact CG2-CG 4.4Å; N474-Q476 VanDerWaalsContact C-N 3.33Å; N474-Q476 PolarHBondContact O-N 2.91Å; N474-Q476 VanDerWaalsContact OD1-CD 3.24Å; N474-Q476 WeakPolarHBondContact OD1-CG 3.4Å; N474-Q476 PolarHBondContact OD1-NE2 2.8Å; Q476-T541 CarbonylContact C-O 3.53Å; Q476-T541 WeakPolarHBondContact CA-O 2.91Å
477	R	91.4	Very high	94	Very high	113 Å²	113	66 Å²	66	43%	0.426	34%	0.339	S	S	.	.			trans	-144.5	153.8	166.6	62.4	174.7	-177.8	-173.8	-4.8	110.1	N539 K540 T541 I542 A543	R477-N539 PolarHBondContact NE-O 2.95Å; R477-N539 PolarHBondContact NH2-O 2.8Å; R477-K540 PolarHBondContact NE-O 3.36Å; R477-T541 PolarHBondContact N-O 3.48Å; R477-T541 CarbonylContact O-C 3.53Å; R477-T541 WeakPolarHBondContact O-CA 3.42Å; R477-T541 VanDerWaalsContact O-O 3.13Å; R477-I542 PolarHBondContact NE-O 2.95Å; R477-I542 VanDerWaalsContact NE-O 3.14Å; R477-A543 HydrophobicContact CB-CB 4.32Å; R477-A543 HydrophobicContact CG-CB 4.42Å
478	S	89.9	Confident	94	Very high	104 Å²	104	68 Å²	68	73%	0.727	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-64.3	149.2	166	60.2	0	0	0	0	110.5	P480	S478-P480 WeakPolarHBondContact O-CD 3.28Å
479	V	92.3	Very high	93.9	Very high	71 Å²	71	69.8 Å²	69.8	43%	0.43	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-59.1	126.9	172.6	-178.6	0	0	0	0	108.6	H483 K540 T541	V479-H483 HydrophobicContact CG1-CB 3.74Å; V479-K540 HydrophobicContact CG2-CG 4.37Å; V479-T541 HydrophobicContact CG2-CG2 3.84Å
480	P	91.4	Very high	93.7	Very high	47 Å²	47	70.2 Å²	70.2	31%	0.305	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-59.6	139.3	179.1	-24.8	33.5	0	0	0	112	S478 S482 H483	S478-P480 WeakPolarHBondContact O-CD 3.28Å; P480-S482 PolarHBondContact O-N 3.22Å; P480-H483 HydrophobicContact CB-CB 4.24Å; P480-H483 WeakPolarHBondContact O-CB 3.33Å; P480-H483 PolarHBondContact O-N 3.42Å
481	K	89.3	Confident	93.6	Very high	206 Å²	206	76 Å²	76	90%	0.896	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-27.3	179.4	-66	-171.3	177.7	-172.3	0	113.9
482	S	90.3	Very high	93.6	Very high	82 Å²	82	76.8 Å²	76.8	57%	0.573	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	6.3	178.7	67.6	0	0	0	0	114.1	P480 S486	P480-S482 PolarHBondContact O-N 3.22Å; S482-S486 WeakPolarHBondContact O-CB 3.29Å; S482-S486 PolarHBondContact O-N 3.17Å; S482-S486 VanDerWaalsContact O-N 3.1Å
483	H	91.1	Very high	93.6	Very high	32 Å²	32	80.4 Å²	80.4	15%	0.148	40%	0.399	C	S	.	.	H	α-helix	trans	-65.7	-50.2	-173.1	180	70.4	0	0	0	111.6	V479 P480 K485 S486 M487 K540	V479-H483 HydrophobicContact CG1-CB 3.74Å; P480-H483 HydrophobicContact CB-CB 4.24Å; P480-H483 WeakPolarHBondContact O-CB 3.33Å; P480-H483 PolarHBondContact O-N 3.42Å; H483-K485 PolarHBondContact O-N 2.87Å; H483-S486 CarbonylContact O-C 3.58Å; H483-S486 WeakPolarHBondContact O-CA 3.43Å; H483-S486 WeakPolarHBondContact O-CB 3.4Å; H483-S486 PolarHBondContact O-N 3.07Å; H483-M487 WeakPolarHBondContact O-CG 3.16Å; H483-M487 PolarHBondContact O-N 2.96Å; H483-K540 WeakPolarHBondContact NE2-CB 3.31Å
484	E	92.8	Very high	93.6	Very high	162 Å²	162	80.6 Å²	80.6	76%	0.757	40%	0.4	S	S	*	.	H	α-helix	trans	-55.9	-55	-179.3	-175.9	172.9	-158.5	0	0	112	S486 M487 E488	E484-S486 PolarHBondContact O-N 3.12Å; E484-M487 WeakPolarHBondContact O-CA 3.45Å; E484-M487 WeakPolarHBondContact O-CB 3.33Å; E484-M487 PolarHBondContact O-N 3.22Å; E484-E488 PolarHBondContact O-N 3.22Å
485	K	94.3	Very high	93.6	Very high	143 Å²	143	86 Å²	86	62%	0.622	42%	0.422	S	S	*	.	H	α-helix	trans	-55.7	-36.8	174.3	-174.7	170.4	-172.7	166.7	0	112.8	H483 M487 N489	H483-K485 PolarHBondContact O-N 2.87Å; K485-M487 VanDerWaalsContact C-N 3.35Å; K485-N489 WeakPolarHBondContact O-CB 3.47Å; K485-N489 PolarHBondContact O-N 3.03Å; K485-N489 VanDerWaalsContact O-N 3.16Å; K485-N489 PolarHBondContact O-ND2 2.93Å
486	S	92.9	Very high	93.6	Very high	41 Å²	41	88.1 Å²	88.1	29%	0.287	44%	0.441	S	S	.	.	H	α-helix	trans	-72.9	-27.1	177.1	-173	0	0	0	0	113.4	S482 H483 E484 L490 R536	S482-S486 WeakPolarHBondContact O-CB 3.29Å; S482-S486 PolarHBondContact O-N 3.17Å; S482-S486 VanDerWaalsContact O-N 3.1Å; H483-S486 CarbonylContact O-C 3.58Å; H483-S486 WeakPolarHBondContact O-CA 3.43Å; H483-S486 WeakPolarHBondContact O-CB 3.4Å; H483-S486 PolarHBondContact O-N 3.07Å; E484-S486 PolarHBondContact O-N 3.12Å; S486-L490 PolarHBondContact O-N 3.36Å; S486-R536 PolarHBondContact OG-NH1 2.86Å
487	M	94.8	Very high	93.8	Very high	17 Å²	17	86.8 Å²	86.8	8%	0.084	43%	0.434	C	S	.	.	H	α-helix	trans	-77.6	-41.9	175.4	-71.8	-59.6	-68.5	0	0	110.8	H483 E484 K485 L490 K491 E533 R536 D537	H483-M487 WeakPolarHBondContact O-CG 3.16Å; H483-M487 PolarHBondContact O-N 2.96Å; E484-M487 WeakPolarHBondContact O-CA 3.45Å; E484-M487 WeakPolarHBondContact O-CB 3.33Å; E484-M487 PolarHBondContact O-N 3.22Å; K485-M487 VanDerWaalsContact C-N 3.35Å; M487-L490 WeakPolarHBondContact O-CB 3.33Å; M487-L490 PolarHBondContact O-N 2.96Å; M487-K491 WeakPolarHBondContact O-CG 3.27Å; M487-K491 PolarHBondContact O-N 3.07Å; M487-E533 HydrophobicContact CE-CG 3.53Å; M487-R536 HydrophobicContact SD-CB 3.75Å; M487-D537 HydrophobicContact CE-CB 4.1Å
488	E	95.8	Very high	94	Very high	112 Å²	112	87.9 Å²	87.9	52%	0.523	44%	0.438	S	S	.	.	H	α-helix	trans	-55.4	-53.5	173	-175.7	178.3	-151.7	0	0	111.4	E484 L490 K491 E492	E484-E488 PolarHBondContact O-N 3.22Å; E488-L490 PolarHBondContact O-N 3.21Å; E488-K491 WeakPolarHBondContact O-CB 3.23Å; E488-K491 PolarHBondContact O-N 3.42Å; E488-E492 PolarHBondContact O-N 3.35Å
489	N	95.7	Very high	94.2	Very high	68 Å²	68	87.8 Å²	87.8	36%	0.364	43%	0.426	S	S	.	.	H	α-helix	trans	-56.7	-26.8	175.1	-71.1	-28.2	0	0	0	113.8	K485 K493	K485-N489 WeakPolarHBondContact O-CB 3.47Å; K485-N489 PolarHBondContact O-N 3.03Å; K485-N489 VanDerWaalsContact O-N 3.16Å; K485-N489 PolarHBondContact O-ND2 2.93Å; N489-K493 WeakPolarHBondContact O-CG 3.49Å
490	L	94.9	Very high	94.2	Very high	9 Å²	9	86.2 Å²	86.2	5%	0.047	42%	0.421	C	S	.	.	H	α-helix	trans	-81.2	-42.1	178.4	-174.3	59.5	0	0	0	110.7	S486 M487 E488 E492 K493 I494 L529 Q532 E533	S486-L490 PolarHBondContact O-N 3.36Å; M487-L490 WeakPolarHBondContact O-CB 3.33Å; M487-L490 PolarHBondContact O-N 2.96Å; E488-L490 PolarHBondContact O-N 3.21Å; L490-E492 VanDerWaalsContact C-N 3.34Å; L490-E492 PolarHBondContact O-N 3.1Å; L490-K493 WeakPolarHBondContact O-CB 3.34Å; L490-K493 PolarHBondContact O-N 3.46Å; L490-K493 VanDerWaalsContact O-N 3.17Å; L490-I494 HydrophobicContact CG-CD1 4.3Å; L490-I494 WeakPolarHBondContact O-CG1 3.2Å; L490-I494 PolarHBondContact O-N 2.91Å; L490-L529 HydrophobicContact CD1-CD2 3.81Å; L490-Q532 HydrophobicContact CD2-CB 4.45Å; L490-E533 VanDerWaalsContact CD2-CA 3.47Å; L490-E533 HydrophobicContact CD2-CB 3.75Å; L490-E533 HydrophobicContact CD2-CG 4.3Å; L490-E533 HydrophobicContact CG-CB 4.36Å
491	K	95.4	Very high	94.3	Very high	121 Å²	121	84.6 Å²	84.6	53%	0.526	41%	0.41	S	S	.	.	H	α-helix	trans	-60.1	-41.7	173.9	-72.6	179.7	177.3	-175.3	0	112	M487 E488 K493 I494 K495 E533	M487-K491 WeakPolarHBondContact O-CG 3.27Å; M487-K491 PolarHBondContact O-N 3.07Å; E488-K491 WeakPolarHBondContact O-CB 3.23Å; E488-K491 PolarHBondContact O-N 3.42Å; K491-K493 VanDerWaalsContact C-N 3.33Å; K491-K493 PolarHBondContact O-N 3Å; K491-I494 PolarHBondContact O-N 3.04Å; K491-K495 WeakPolarHBondContact O-CB 3.37Å; K491-K495 PolarHBondContact O-N 3.48Å; K491-E533 WeakPolarHBondContact CE-OE1 3.19Å; K491-E533 WeakPolarHBondContact CG-OE1 3.34Å
492	E	96.7	Very high	94.4	Very high	113 Å²	113	81.2 Å²	81.2	53%	0.528	40%	0.397	S	S	.	.	H	α-helix	trans	-59.3	-42.8	173.9	-71.7	-179.1	164.2	0	0	112.2	E488 L490 K495 A496	E488-E492 PolarHBondContact O-N 3.35Å; L490-E492 VanDerWaalsContact C-N 3.34Å; L490-E492 PolarHBondContact O-N 3.1Å; E492-K495 PolarHBondContact O-N 3Å; E492-A496 WeakPolarHBondContact O-CB 3.49Å; E492-A496 PolarHBondContact O-N 3.16Å
493	K	96.2	Very high	94.5	Very high	125 Å²	125	83.5 Å²	83.5	54%	0.543	40%	0.396	S	S	.	.	H	α-helix	trans	-65.8	-38.2	176.4	-72.4	173.6	-175.1	179.1	0	112.5	N489 L490 K491 K497 L529	N489-K493 WeakPolarHBondContact O-CG 3.49Å; L490-K493 WeakPolarHBondContact O-CB 3.34Å; L490-K493 PolarHBondContact O-N 3.46Å; L490-K493 VanDerWaalsContact O-N 3.17Å; K491-K493 VanDerWaalsContact C-N 3.33Å; K491-K493 PolarHBondContact O-N 3Å; K493-K497 WeakPolarHBondContact O-CB 3.49Å; K493-K497 VanDerWaalsContact O-CG 3.28Å; K493-K497 WeakPolarHBondContact O-CG 3.21Å; K493-K497 PolarHBondContact O-N 2.74Å; K493-L529 HydrophobicContact CB-CD1 4.29Å
494	I	96.3	Very high	94.4	Very high	8 Å²	8	82.3 Å²	82.3	4%	0.041	39%	0.392	C	S	.	.	H	α-helix	trans	-63.7	-47.5	175.4	-72	169.6	0	0	0	109.6	L490 K491 A496 K497 R498 L526 L529 E530 E533	L490-I494 HydrophobicContact CG-CD1 4.3Å; L490-I494 WeakPolarHBondContact O-CG1 3.2Å; L490-I494 PolarHBondContact O-N 2.91Å; K491-I494 PolarHBondContact O-N 3.04Å; I494-A496 PolarHBondContact O-N 3.07Å; I494-K497 PolarHBondContact O-N 3.16Å; I494-K497 VanDerWaalsContact O-N 3.13Å; I494-R498 WeakPolarHBondContact O-CG 3.37Å; I494-R498 PolarHBondContact O-N 3.5Å; I494-L526 HydrophobicContact CB-CD1 4.49Å; I494-L526 HydrophobicContact CG2-CD1 3.84Å; I494-L529 HydrophobicContact CD1-CB 4.28Å; I494-L529 HydrophobicContact CG1-CB 3.67Å; I494-L529 HydrophobicContact CG1-CD1 4.44Å; I494-E530 HydrophobicContact CD1-CG 4.33Å; I494-E530 HydrophobicContact CG2-CG 4.36Å; I494-E533 HydrophobicContact CD1-CB 3.98Å; I494-E533 HydrophobicContact CD1-CG 4.42Å; I494-E533 WeakPolarHBondContact CD1-OE2 3.33Å
495	K	96.4	Very high	94.2	Very high	134 Å²	134	78.4 Å²	78.4	58%	0.583	37%	0.373	S	S	*	.	H	α-helix	trans	-57.1	-52.1	176.4	-171.8	-174	180	-165.7	0	111.6	K491 E492 K497 R498 E499	K491-K495 WeakPolarHBondContact O-CB 3.37Å; K491-K495 PolarHBondContact O-N 3.48Å; E492-K495 PolarHBondContact O-N 3Å; K495-K497 PolarHBondContact O-N 2.84Å; K495-R498 WeakPolarHBondContact O-CB 3.23Å; K495-R498 PolarHBondContact O-N 2.64Å; K495-E499 WeakPolarHBondContact CE-OE1 3.35Å; K495-E499 IonicContact NZ-OE1 3.22Å; K495-E499 WeakPolarHBondContact O-CG 3.36Å; K495-E499 PolarHBondContact O-N 2.85Å
496	A	96.2	Very high	93.8	Very high	53 Å²	53	75.9 Å²	75.9	44%	0.438	37%	0.374	S	S	.	.	H	α-helix	trans	-59.7	-32.1	177.7	0	0	0	0	0	112.8	E492 I494 A500	E492-A496 WeakPolarHBondContact O-CB 3.49Å; E492-A496 PolarHBondContact O-N 3.16Å; I494-A496 PolarHBondContact O-N 3.07Å; A496-A500 WeakPolarHBondContact O-CB 3.48Å; A496-A500 PolarHBondContact O-N 2.74Å; A496-A500 VanDerWaalsContact O-N 3.1Å
497	K	95.6	Very high	93.3	Very high	61 Å²	61	77.9 Å²	77.9	27%	0.265	38%	0.378	S	S	.	.	H	α-helix	trans	-73.2	-37.5	174.6	-75.9	-70.2	171.5	-171	0	113	K493 I494 K495 A500 I501 L522 L526 L529	K493-K497 WeakPolarHBondContact O-CB 3.49Å; K493-K497 VanDerWaalsContact O-CG 3.28Å; K493-K497 WeakPolarHBondContact O-CG 3.21Å; K493-K497 PolarHBondContact O-N 2.74Å; I494-K497 PolarHBondContact O-N 3.16Å; I494-K497 VanDerWaalsContact O-N 3.13Å; K495-K497 PolarHBondContact O-N 2.84Å; K497-A500 PolarHBondContact O-N 3.28Å; K497-I501 VanDerWaalsContact O-CG1 3.32Å; K497-I501 WeakPolarHBondContact O-CG1 3.38Å; K497-I501 PolarHBondContact O-N 2.81Å; K497-L522 HydrophobicContact CD-CD2 4.29Å; K497-L526 HydrophobicContact CB-CB 4.45Å; K497-L526 HydrophobicContact CB-CD1 4.09Å; K497-L529 HydrophobicContact CG-CD1 3.79Å
498	R	94.9	Very high	92.6	Very high	137 Å²	137	81.3 Å²	81.3	52%	0.517	39%	0.391	S	S	.	.	H	α-helix	trans	-63.3	-45.8	173.5	-71.1	178.5	178.9	-179.3	0.3	111.2	I494 K495 A500 I501 E502 L526 E530	I494-R498 WeakPolarHBondContact O-CG 3.37Å; I494-R498 PolarHBondContact O-N 3.5Å; K495-R498 WeakPolarHBondContact O-CB 3.23Å; K495-R498 PolarHBondContact O-N 2.64Å; R498-A500 VanDerWaalsContact C-N 3.32Å; R498-A500 PolarHBondContact O-N 3.46Å; R498-I501 WeakPolarHBondContact O-CB 3.45Å; R498-I501 PolarHBondContact O-N 3.29Å; R498-I501 VanDerWaalsContact O-N 3.11Å; R498-E502 PolarHBondContact O-N 3.03Å; R498-L526 HydrophobicContact CG-CD1 3.84Å; R498-L526 HydrophobicContact CG-CD2 3.77Å; R498-L526 HydrophobicContact CG-CG 4.5Å; R498-E530 IonicContact CZ-OE1 3.72Å; R498-E530 IonicContact NE-OE1 2.88Å; R498-E530 PolarHBondContact NE-OE1 3.26Å; R498-E530 IonicContact NH2-OE1 3.69Å; R498-E530 PolarHBondContact NH2-OE1 3.08Å
499	E	95.1	Very high	91.5	Very high	101 Å²	101	82.3 Å²	82.3	47%	0.472	40%	0.396	S	S	.	.	H	α-helix	trans	-59.9	-41.1	175.1	-68.9	169.2	-176.7	0	0	111.9	K495 I501 E502 K503	K495-E499 WeakPolarHBondContact CE-OE1 3.35Å; K495-E499 IonicContact NZ-OE1 3.22Å; K495-E499 WeakPolarHBondContact O-CG 3.36Å; K495-E499 PolarHBondContact O-N 2.85Å; E499-I501 VanDerWaalsContact C-N 3.32Å; E499-I501 PolarHBondContact O-N 3.44Å; E499-E502 PolarHBondContact O-N 2.75Å; E499-K503 WeakPolarHBondContact O-CB 3.35Å; E499-K503 PolarHBondContact O-N 3.15Å
500	A	92.7	Very high	90	Very high	38 Å²	38	84.3 Å²	84.3	31%	0.314	42%	0.415	S	S	.	.	H	α-helix	trans	-66.4	-33	176.1	0	0	0	0	0	113.1	A496 K497 R498 C504 L522	A496-A500 WeakPolarHBondContact O-CB 3.48Å; A496-A500 PolarHBondContact O-N 2.74Å; A496-A500 VanDerWaalsContact O-N 3.1Å; K497-A500 PolarHBondContact O-N 3.28Å; R498-A500 VanDerWaalsContact C-N 3.32Å; R498-A500 PolarHBondContact O-N 3.46Å; A500-C504 VanDerWaalsContact O-CB 3.25Å; A500-C504 WeakPolarHBondContact O-CB 3.18Å; A500-C504 PolarHBondContact O-N 3.45Å; A500-C504 VanDerWaalsContact O-N 3.09Å; A500-L522 HydrophobicContact CB-CD1 4.48Å; A500-L522 HydrophobicContact CB-CD2 4.41Å
501	I	92.8	Very high	88.7	Confident	14 Å²	14	95.2 Å²	95.2	7%	0.072	46%	0.455	C	S	.	.	H	α-helix	trans	-68.5	-50.5	174.3	-74.4	164.3	0	0	0	109.8	K497 R498 E499 K503 C504 E505 L519 L522 R523 L526	K497-I501 VanDerWaalsContact O-CG1 3.32Å; K497-I501 WeakPolarHBondContact O-CG1 3.38Å; K497-I501 PolarHBondContact O-N 2.81Å; R498-I501 WeakPolarHBondContact O-CB 3.45Å; R498-I501 PolarHBondContact O-N 3.29Å; R498-I501 VanDerWaalsContact O-N 3.11Å; E499-I501 VanDerWaalsContact C-N 3.32Å; E499-I501 PolarHBondContact O-N 3.44Å; I501-K503 VanDerWaalsContact C-N 3.32Å; I501-K503 PolarHBondContact O-N 3.03Å; I501-C504 CarbonylContact O-C 3.54Å; I501-C504 WeakPolarHBondContact O-CA 3.36Å; I501-C504 WeakPolarHBondContact O-CB 3.48Å; I501-C504 PolarHBondContact O-N 2.9Å; I501-E505 HydrophobicContact CG2-CG 4.22Å; I501-E505 WeakPolarHBondContact CG2-OE1 3.45Å; I501-E505 WeakPolarHBondContact O-CB 3.29Å; I501-E505 WeakPolarHBondContact O-CG 3.29Å; I501-E505 PolarHBondContact O-N 3.47Å; I501-L519 HydrophobicContact CG2-CD1 3.88Å; I501-L522 HydrophobicContact CD1-CB 4.29Å; I501-L522 HydrophobicContact CG1-CB 3.6Å; I501-L522 HydrophobicContact CG1-CD1 4.47Å; I501-R523 HydrophobicContact CD1-CG 4.15Å; I501-L526 HydrophobicContact CD1-CB 3.79Å; I501-L526 HydrophobicContact CD1-CD2 3.52Å; I501-L526 HydrophobicContact CD1-CG 4.26Å
502	E	92.3	Very high	87.8	Confident	134 Å²	134	92.2 Å²	92.2	63%	0.626	45%	0.445	S	S	*	.	H	α-helix	trans	-57.9	-44	180	-175.4	177.8	-173.4	0	0	111.9	R498 E499 C504 E505 S506	R498-E502 PolarHBondContact O-N 3.03Å; E499-E502 PolarHBondContact O-N 2.75Å; E502-C504 PolarHBondContact O-N 3.06Å; E502-E505 PolarHBondContact O-N 2.84Å; E502-S506 PolarHBondContact O-N 2.76Å; E502-S506 PolarHBondContact O-OG 2.88Å
503	K	91.3	Very high	87	Confident	131 Å²	131	93.8 Å²	93.8	57%	0.57	45%	0.452	S	S	*	.	H	α-helix	trans	-62.7	-41.3	173.2	-176.3	176.4	177	177.1	0	112.4	E499 I501 E505 S506 E507	E499-K503 WeakPolarHBondContact O-CB 3.35Å; E499-K503 PolarHBondContact O-N 3.15Å; I501-K503 VanDerWaalsContact C-N 3.32Å; I501-K503 PolarHBondContact O-N 3.03Å; K503-E505 VanDerWaalsContact C-N 3.31Å; K503-S506 PolarHBondContact O-OG 3.1Å; K503-E507 WeakPolarHBondContact CE-OE1 3.23Å; K503-E507 IonicContact NZ-OE1 2.63Å; K503-E507 WeakPolarHBondContact O-CB 3.49Å; K503-E507 VanDerWaalsContact O-CG 3.29Å; K503-E507 WeakPolarHBondContact O-CG 3.3Å; K503-E507 PolarHBondContact O-N 3.18Å
504	C	88.9	Confident	86.3	Confident	7 Å²	7	96.2 Å²	96.2	5%	0.047	46%	0.463	C	S	.	.	H	α-helix	trans	-68.4	-33.6	178.6	-168.1	0	0	0	0	111.7	A500 I501 E502 Y508 L519 L522	A500-C504 VanDerWaalsContact O-CB 3.25Å; A500-C504 WeakPolarHBondContact O-CB 3.18Å; A500-C504 PolarHBondContact O-N 3.45Å; A500-C504 VanDerWaalsContact O-N 3.09Å; I501-C504 CarbonylContact O-C 3.54Å; I501-C504 WeakPolarHBondContact O-CA 3.36Å; I501-C504 WeakPolarHBondContact O-CB 3.48Å; I501-C504 PolarHBondContact O-N 2.9Å; E502-C504 PolarHBondContact O-N 3.06Å; C504-Y508 VanDerWaalsContact O-CB 3.3Å; C504-Y508 WeakPolarHBondContact O-CB 3.21Å; C504-Y508 PolarHBondContact O-N 3.16Å; C504-Y508 VanDerWaalsContact O-N 3.1Å; C504-L519 HydrophobicContact CB-CD1 4.3Å; C504-L522 HydrophobicContact CB-CD1 3.97Å
505	E	89.1	Confident	85.7	Confident	79 Å²	79	98.4 Å²	98.4	37%	0.369	47%	0.472	S	S	.	.	H	α-helix	trans	-70.8	-43.9	176.5	-74.4	176.6	174.7	0	0	111.9	I501 E502 K503 E507 Y508 L519 R523	I501-E505 HydrophobicContact CG2-CG 4.22Å; I501-E505 WeakPolarHBondContact CG2-OE1 3.45Å; I501-E505 WeakPolarHBondContact O-CB 3.29Å; I501-E505 WeakPolarHBondContact O-CG 3.29Å; I501-E505 PolarHBondContact O-N 3.47Å; E502-E505 PolarHBondContact O-N 2.84Å; K503-E505 VanDerWaalsContact C-N 3.31Å; E505-E507 VanDerWaalsContact C-N 3.27Å; E505-E507 PolarHBondContact O-N 3.1Å; E505-Y508 WeakPolarHBondContact O-CB 3.48Å; E505-Y508 PolarHBondContact O-N 3.15Å; E505-Y508 VanDerWaalsContact O-N 3.14Å; E505-L519 HydrophobicContact CG-CD1 3.52Å; E505-L519 HydrophobicContact CG-CD2 3.73Å; E505-L519 HydrophobicContact CG-CG 4.28Å; E505-R523 IonicContact OE1-CZ 3.9Å; E505-R523 IonicContact OE1-NE 3.21Å; E505-R523 PolarHBondContact OE1-NE 3.23Å; E505-R523 IonicContact OE1-NH2 3.86Å; E505-R523 PolarHBondContact OE1-NH2 2.98Å
506	S	86.1	Confident	85.1	Confident	90 Å²	90	92.9 Å²	92.9	63%	0.629	45%	0.453	S	S	*	.	H	α-helix	trans	-65.6	-31.7	177.8	65.4	0	0	0	0	112.7	E502 K503	E502-S506 PolarHBondContact O-N 2.76Å; E502-S506 PolarHBondContact O-OG 2.88Å; K503-S506 PolarHBondContact O-OG 3.1Å
507	E	82.8	Confident	84.7	Confident	83 Å²	83	97 Å²	97	39%	0.388	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-1.5	175.6	-61.1	178.7	-168.1	0	0	113.9	K503 E505 H509 K515	K503-E507 WeakPolarHBondContact CE-OE1 3.23Å; K503-E507 IonicContact NZ-OE1 2.63Å; K503-E507 WeakPolarHBondContact O-CB 3.49Å; K503-E507 VanDerWaalsContact O-CG 3.29Å; K503-E507 WeakPolarHBondContact O-CG 3.3Å; K503-E507 PolarHBondContact O-N 3.18Å; E505-E507 VanDerWaalsContact C-N 3.27Å; E505-E507 PolarHBondContact O-N 3.1Å; E507-H509 PolarHBondContact O-ND1 2.88Å; E507-K515 VanDerWaalsContact CB-NZ 3.33Å; E507-K515 WeakPolarHBondContact O-CD 3.47Å; E507-K515 PolarHBondContact O-NZ 3.47Å; E507-K515 IonicContact OE2-NZ 2.77Å; E507-K515 PolarHBondContact OE2-NZ 2.8Å
508	Y	79.1	Confident	84.4	Confident	89 Å²	89	99.2 Å²	99.2	35%	0.349	47%	0.473	S	S	.	.			trans	-80.1	129.3	-179.9	178.8	-111.7	0	0	0	110.4	C504 E505 D512 K515	C504-Y508 VanDerWaalsContact O-CB 3.3Å; C504-Y508 WeakPolarHBondContact O-CB 3.21Å; C504-Y508 PolarHBondContact O-N 3.16Å; C504-Y508 VanDerWaalsContact O-N 3.1Å; E505-Y508 WeakPolarHBondContact O-CB 3.48Å; E505-Y508 PolarHBondContact O-N 3.15Å; E505-Y508 VanDerWaalsContact O-N 3.14Å; Y508-D512 WeakPolarHBondContact CE2-O 3.46Å; Y508-K515 HydrophobicContact CD2-CB 3.76Å; Y508-K515 HydrophobicContact CE2-CB 4.43Å
509	H	73.3	Confident	84.2	Confident	134 Å²	134	93.3 Å²	93.3	62%	0.62	45%	0.451	S	S	*	.			trans	-119.1	138.8	172.4	-63.9	22.7	0	0	0	106.7	E507 R511 D512	E507-H509 PolarHBondContact O-ND1 2.88Å; H509-R511 PolarHBondContact O-N 3.32Å; H509-D512 PolarHBondContact O-N 3.32Å
510	S	64.4	Low	84	Confident	109 Å²	109	94.4 Å²	94.4	76%	0.762	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-9.3	-166.7	59.7	0	0	0	0	116.2
511	R	67.1	Low	83.9	Confident	238 Å²	238	100.7 Å²	100.7	90%	0.898	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	-3.2	177.1	-64.4	-178.3	174.4	-174.5	-1.8	114.4	H509 E513	H509-R511 PolarHBondContact O-N 3.32Å; R511-E513 PolarHBondContact O-N 2.8Å
512	D	77.6	Confident	84	Confident	58 Å²	58	101 Å²	101	31%	0.31	47%	0.473	S	S	.	.			trans	-95	85.5	-178.6	-169.1	-15.6	0	0	0	111.9	Y508 H509 K514 K515 G516	Y508-D512 WeakPolarHBondContact CE2-O 3.46Å; H509-D512 PolarHBondContact O-N 3.32Å; D512-K514 PolarHBondContact O-N 2.73Å; D512-K514 VanDerWaalsContact O-N 3.14Å; D512-K514 WeakPolarHBondContact OD1-CB 3.38Å; D512-K514 PolarHBondContact OD1-N 3.22Å; D512-K514 VanDerWaalsContact OD1-N 3.13Å; D512-K515 HydrophobicContact CB-CB 4.29Å; D512-K515 PolarHBondContact O-N 2.9Å; D512-K515 PolarHBondContact OD1-N 3.46Å; D512-K515 WeakPolarHBondContact OD2-CD 3.43Å; D512-K515 VanDerWaalsContact OD2-CG 3.31Å; D512-K515 WeakPolarHBondContact OD2-CG 3.38Å; D512-G516 PolarHBondContact O-N 3.45Å
513	E	77.9	Confident	84	Confident	146 Å²	146	100.8 Å²	100.8	68%	0.682	47%	0.467	S	S	*	.	H	α-helix	trans	-55.9	-29	178.3	-70.3	-170.1	171.1	0	0	113.9	R511 K517	R511-E513 PolarHBondContact O-N 2.8Å; E513-K517 WeakPolarHBondContact O-CG 3.42Å; E513-K517 PolarHBondContact O-N 3.13Å; E513-K517 VanDerWaalsContact O-N 3.13Å
514	K	83.3	Confident	84	Confident	177 Å²	177	99.2 Å²	99.2	77%	0.77	47%	0.465	S	S	*	.	H	α-helix	trans	-70.7	-44.8	-179.7	-71.7	-179.3	-179.3	172.8	0	110.6	D512 G516 K517 Q518	D512-K514 PolarHBondContact O-N 2.73Å; D512-K514 VanDerWaalsContact O-N 3.14Å; D512-K514 WeakPolarHBondContact OD1-CB 3.38Å; D512-K514 PolarHBondContact OD1-N 3.22Å; D512-K514 VanDerWaalsContact OD1-N 3.13Å; K514-G516 VanDerWaalsContact C-N 3.34Å; K514-K517 PolarHBondContact O-N 3.43Å; K514-Q518 PolarHBondContact O-N 3.02Å
515	K	82.3	Confident	84.3	Confident	53 Å²	53	102 Å²	102	23%	0.23	48%	0.477	C	S	.	.	H	α-helix	trans	-68	-34.1	175.7	-73.9	-169.5	-171.9	-165.3	0	112.2	E507 Y508 D512 Q518 L519	E507-K515 VanDerWaalsContact CB-NZ 3.33Å; E507-K515 WeakPolarHBondContact O-CD 3.47Å; E507-K515 PolarHBondContact O-NZ 3.47Å; E507-K515 IonicContact OE2-NZ 2.77Å; E507-K515 PolarHBondContact OE2-NZ 2.8Å; Y508-K515 HydrophobicContact CD2-CB 3.76Å; Y508-K515 HydrophobicContact CE2-CB 4.43Å; D512-K515 HydrophobicContact CB-CB 4.29Å; D512-K515 PolarHBondContact O-N 2.9Å; D512-K515 PolarHBondContact OD1-N 3.46Å; D512-K515 WeakPolarHBondContact OD2-CD 3.43Å; D512-K515 VanDerWaalsContact OD2-CG 3.31Å; D512-K515 WeakPolarHBondContact OD2-CG 3.38Å; K515-Q518 PolarHBondContact O-N 2.75Å; K515-L519 WeakPolarHBondContact O-CB 3.42Å; K515-L519 PolarHBondContact O-N 3.26Å
516	G	84.1	Confident	84.5	Confident	18 Å²	18	99.2 Å²	99.2	19%	0.186	47%	0.465	C	S	.	.	H	α-helix	trans	-58.3	-50.3	172.9	0	0	0	0	0	112.5	D512 K514 Q518 L519 E520	D512-G516 PolarHBondContact O-N 3.45Å; K514-G516 VanDerWaalsContact C-N 3.34Å; G516-Q518 VanDerWaalsContact C-N 3.31Å; G516-Q518 PolarHBondContact O-N 3.24Å; G516-L519 PolarHBondContact O-N 2.91Å; G516-E520 PolarHBondContact O-N 3.29Å
517	K	88.8	Confident	84.9	Confident	139 Å²	139	99 Å²	99	60%	0.604	45%	0.452	S	S	*	.	H	α-helix	trans	-63	-35.5	175.5	-72.2	173.6	-180	166.8	0	113	E513 K514 R521	E513-K517 WeakPolarHBondContact O-CG 3.42Å; E513-K517 PolarHBondContact O-N 3.13Å; E513-K517 VanDerWaalsContact O-N 3.13Å; K514-K517 PolarHBondContact O-N 3.43Å; K517-R521 WeakPolarHBondContact O-CB 3.15Å; K517-R521 PolarHBondContact O-N 3.49Å; K517-R521 VanDerWaalsContact O-N 3.12Å
518	Q	89.5	Confident	85.4	Confident	109 Å²	109	100.3 Å²	100.3	51%	0.509	46%	0.457	S	S	.	.	H	α-helix	trans	-66.4	-43.3	175.6	178.8	174	-13.8	0	0	111.6	K514 K515 G516 R521 L522	K514-Q518 PolarHBondContact O-N 3.02Å; K515-Q518 PolarHBondContact O-N 2.75Å; G516-Q518 VanDerWaalsContact C-N 3.31Å; G516-Q518 PolarHBondContact O-N 3.24Å; Q518-R521 PolarHBondContact O-N 2.73Å; Q518-L522 HydrophobicContact CG-CD1 4.29Å; Q518-L522 WeakPolarHBondContact O-CG 3.41Å; Q518-L522 PolarHBondContact O-N 3.45Å
519	L	90	Very high	86.2	Confident	13 Å²	13	97.4 Å²	97.4	7%	0.068	45%	0.447	C	S	.	.	H	α-helix	trans	-62.8	-46.3	178.3	179.4	59.5	0	0	0	111.5	I501 C504 E505 K515 G516 R521 L522 R523	I501-L519 HydrophobicContact CG2-CD1 3.88Å; C504-L519 HydrophobicContact CB-CD1 4.3Å; E505-L519 HydrophobicContact CG-CD1 3.52Å; E505-L519 HydrophobicContact CG-CD2 3.73Å; E505-L519 HydrophobicContact CG-CG 4.28Å; K515-L519 WeakPolarHBondContact O-CB 3.42Å; K515-L519 PolarHBondContact O-N 3.26Å; G516-L519 PolarHBondContact O-N 2.91Å; L519-R521 VanDerWaalsContact C-N 3.35Å; L519-R521 PolarHBondContact O-N 2.83Å; L519-L522 PolarHBondContact O-N 3.25Å; L519-L522 VanDerWaalsContact O-N 3.16Å; L519-R523 HydrophobicContact CD1-CG 4.46Å; L519-R523 WeakPolarHBondContact O-CG 3.25Å; L519-R523 PolarHBondContact O-N 3.14Å
520	E	90.1	Very high	87.3	Confident	123 Å²	123	93.7 Å²	93.7	58%	0.575	43%	0.43	S	S	*	.	H	α-helix	trans	-56.6	-48.5	174.6	-172.5	179.3	-166.7	0	0	111.3	G516 L522 R523 D524	G516-E520 PolarHBondContact O-N 3.29Å; E520-L522 VanDerWaalsContact C-N 3.29Å; E520-L522 PolarHBondContact O-N 2.91Å; E520-R523 PolarHBondContact O-N 3.12Å; E520-D524 PolarHBondContact O-N 3.12Å
521	R	92.2	Very high	88.7	Confident	171 Å²	171	90 Å²	90	65%	0.645	40%	0.401	S	S	*	.	H	α-helix	trans	-60.5	-36.6	176.8	-175.1	-179.8	-178.2	-171.3	-0.3	113.1	K517 Q518 L519 Q525	K517-R521 WeakPolarHBondContact O-CB 3.15Å; K517-R521 PolarHBondContact O-N 3.49Å; K517-R521 VanDerWaalsContact O-N 3.12Å; Q518-R521 PolarHBondContact O-N 2.73Å; L519-R521 VanDerWaalsContact C-N 3.35Å; L519-R521 PolarHBondContact O-N 2.83Å; R521-Q525 VanDerWaalsContact O-CG 3.24Å; R521-Q525 WeakPolarHBondContact O-CG 3.5Å; R521-Q525 PolarHBondContact O-N 3.11Å; R521-Q525 VanDerWaalsContact O-N 3.12Å
522	L	93.3	Very high	90	Very high	19 Å²	19	82.4 Å²	82.4	10%	0.099	38%	0.376	C	S	.	.	H	α-helix	trans	-69.5	-43.1	177	-75.2	171.6	0	0	0	111.2	K497 A500 I501 C504 Q518 L519 E520 D524 Q525 L526	K497-L522 HydrophobicContact CD-CD2 4.29Å; A500-L522 HydrophobicContact CB-CD1 4.48Å; A500-L522 HydrophobicContact CB-CD2 4.41Å; I501-L522 HydrophobicContact CD1-CB 4.29Å; I501-L522 HydrophobicContact CG1-CB 3.6Å; I501-L522 HydrophobicContact CG1-CD1 4.47Å; C504-L522 HydrophobicContact CB-CD1 3.97Å; Q518-L522 HydrophobicContact CG-CD1 4.29Å; Q518-L522 WeakPolarHBondContact O-CG 3.41Å; Q518-L522 PolarHBondContact O-N 3.45Å; L519-L522 PolarHBondContact O-N 3.25Å; L519-L522 VanDerWaalsContact O-N 3.16Å; E520-L522 VanDerWaalsContact C-N 3.29Å; E520-L522 PolarHBondContact O-N 2.91Å; L522-D524 PolarHBondContact O-N 3.43Å; L522-Q525 PolarHBondContact O-N 3.03Å; L522-L526 PolarHBondContact O-N 2.83Å
523	R	92.6	Very high	90.8	Very high	130 Å²	130	81.8 Å²	81.8	49%	0.491	37%	0.372	S	S	.	.	H	α-helix	trans	-60.6	-42.9	175.1	-72.2	175.9	175.1	178.3	-3.7	111.6	I501 E505 L519 E520 Q525 L526 K527	I501-R523 HydrophobicContact CD1-CG 4.15Å; E505-R523 IonicContact OE1-CZ 3.9Å; E505-R523 IonicContact OE1-NE 3.21Å; E505-R523 PolarHBondContact OE1-NE 3.23Å; E505-R523 IonicContact OE1-NH2 3.86Å; E505-R523 PolarHBondContact OE1-NH2 2.98Å; L519-R523 HydrophobicContact CD1-CG 4.46Å; L519-R523 WeakPolarHBondContact O-CG 3.25Å; L519-R523 PolarHBondContact O-N 3.14Å; E520-R523 PolarHBondContact O-N 3.12Å; R523-Q525 PolarHBondContact O-N 3.37Å; R523-L526 PolarHBondContact O-N 3.21Å; R523-K527 WeakPolarHBondContact O-CB 3.42Å; R523-K527 PolarHBondContact O-N 2.85Å
524	D	92.3	Very high	91.6	Very high	99 Å²	99	77.3 Å²	77.3	53%	0.529	35%	0.354	S	S	.	.	H	α-helix	trans	-61.7	-41.6	174.5	-77.8	-14.6	0	0	0	112.9	E520 L522 K528	E520-D524 PolarHBondContact O-N 3.12Å; L522-D524 PolarHBondContact O-N 3.43Å; D524-K528 WeakPolarHBondContact O-CB 3.46Å; D524-K528 PolarHBondContact O-N 3.41Å
525	Q	93.7	Very high	92.1	Very high	64 Å²	64	70.7 Å²	70.7	30%	0.299	33%	0.327	S	S	.	.	H	α-helix	trans	-65.8	-41.4	176.4	-75.4	173.9	15.7	0	0	111.9	R521 L522 R523 K528 L529	R521-Q525 VanDerWaalsContact O-CG 3.24Å; R521-Q525 WeakPolarHBondContact O-CG 3.5Å; R521-Q525 PolarHBondContact O-N 3.11Å; R521-Q525 VanDerWaalsContact O-N 3.12Å; L522-Q525 PolarHBondContact O-N 3.03Å; R523-Q525 PolarHBondContact O-N 3.37Å; Q525-K528 PolarHBondContact O-N 3.04Å; Q525-L529 WeakPolarHBondContact O-CG 3.3Å; Q525-L529 PolarHBondContact O-N 3.37Å; Q525-L529 VanDerWaalsContact O-N 3.15Å
526	L	94.8	Very high	92.6	Very high	22 Å²	22	73.2 Å²	73.2	12%	0.115	34%	0.335	C	S	.	.	H	α-helix	trans	-61.2	-52.8	175.9	175.5	63.6	0	0	0	110.2	I494 K497 R498 I501 L522 R523 K528 L529 E530	I494-L526 HydrophobicContact CB-CD1 4.49Å; I494-L526 HydrophobicContact CG2-CD1 3.84Å; K497-L526 HydrophobicContact CB-CB 4.45Å; K497-L526 HydrophobicContact CB-CD1 4.09Å; R498-L526 HydrophobicContact CG-CD1 3.84Å; R498-L526 HydrophobicContact CG-CD2 3.77Å; R498-L526 HydrophobicContact CG-CG 4.5Å; I501-L526 HydrophobicContact CD1-CB 3.79Å; I501-L526 HydrophobicContact CD1-CD2 3.52Å; I501-L526 HydrophobicContact CD1-CG 4.26Å; L522-L526 PolarHBondContact O-N 2.83Å; R523-L526 PolarHBondContact O-N 3.21Å; L526-K528 PolarHBondContact O-N 3.36Å; L526-L529 WeakPolarHBondContact O-CA 3.45Å; L526-L529 WeakPolarHBondContact O-CB 3.29Å; L526-L529 PolarHBondContact O-N 3.46Å; L526-E530 HydrophobicContact CD1-CG 4.16Å; L526-E530 HydrophobicContact CG-CG 4.39Å; L526-E530 PolarHBondContact O-N 3Å
527	K	94.3	Very high	92.9	Very high	85 Å²	85	75.7 Å²	75.7	37%	0.37	34%	0.344	S	S	.	.	H	α-helix	trans	-53.5	-43.3	178.2	-172.6	174.3	-176.3	-177.8	0	111.5	E457 R523 L529 E530 L531	E457-K527 WeakPolarHBondContact OE1-CE 3.42Å; E457-K527 IonicContact OE1-NZ 3.76Å; E457-K527 PolarHBondContact OE1-NZ 3.13Å; E457-K527 IonicContact OE2-NZ 3.77Å; R523-K527 WeakPolarHBondContact O-CB 3.42Å; R523-K527 PolarHBondContact O-N 2.85Å; K527-L529 VanDerWaalsContact C-N 3.35Å; K527-L529 PolarHBondContact O-N 3.35Å; K527-E530 PolarHBondContact O-N 3.17Å; K527-L531 HydrophobicContact CG-CD1 4.29Å; K527-L531 VanDerWaalsContact O-CG 3.23Å; K527-L531 WeakPolarHBondContact O-CG 3.32Å; K527-L531 PolarHBondContact O-N 3.06Å
528	K	93.8	Very high	93.2	Very high	110 Å²	110	70.7 Å²	70.7	48%	0.478	32%	0.323	S	S	.	.	H	α-helix	trans	-62.1	-37.9	175.9	-175.7	178.8	178.5	-178.9	0	113.4	D524 Q525 L526 Q532	D524-K528 WeakPolarHBondContact O-CB 3.46Å; D524-K528 PolarHBondContact O-N 3.41Å; Q525-K528 PolarHBondContact O-N 3.04Å; L526-K528 PolarHBondContact O-N 3.36Å; K528-Q532 VanDerWaalsContact O-CG 3.28Å; K528-Q532 WeakPolarHBondContact O-CG 3.37Å; K528-Q532 PolarHBondContact O-N 2.94Å; K528-Q532 VanDerWaalsContact O-N 3.14Å
529	L	95.4	Very high	93.3	Very high	28 Å²	28	65.9 Å²	65.9	15%	0.147	30%	0.301	C	S	.	.	H	α-helix	trans	-71	-40.6	177.6	-69.7	169.9	0	0	0	111.4	L490 K493 I494 K497 Q525 L526 K527 Q532 E533	L490-L529 HydrophobicContact CD1-CD2 3.81Å; K493-L529 HydrophobicContact CB-CD1 4.29Å; I494-L529 HydrophobicContact CD1-CB 4.28Å; I494-L529 HydrophobicContact CG1-CB 3.67Å; I494-L529 HydrophobicContact CG1-CD1 4.44Å; K497-L529 HydrophobicContact CG-CD1 3.79Å; Q525-L529 WeakPolarHBondContact O-CG 3.3Å; Q525-L529 PolarHBondContact O-N 3.37Å; Q525-L529 VanDerWaalsContact O-N 3.15Å; L526-L529 WeakPolarHBondContact O-CA 3.45Å; L526-L529 WeakPolarHBondContact O-CB 3.29Å; L526-L529 PolarHBondContact O-N 3.46Å; K527-L529 VanDerWaalsContact C-N 3.35Å; K527-L529 PolarHBondContact O-N 3.35Å; L529-Q532 WeakPolarHBondContact O-CB 3.36Å; L529-Q532 PolarHBondContact O-N 3.22Å; L529-Q532 VanDerWaalsContact O-N 3.15Å; L529-E533 PolarHBondContact O-N 3.2Å
530	E	95.4	Very high	93.3	Very high	56 Å²	56	68.6 Å²	68.6	26%	0.262	31%	0.312	S	S	.	.	H	α-helix	trans	-64.1	-40.5	177	-68	175.4	153.1	0	0	111.6	I494 R498 L526 K527 Q532 E533 T534	I494-E530 HydrophobicContact CD1-CG 4.33Å; I494-E530 HydrophobicContact CG2-CG 4.36Å; R498-E530 IonicContact CZ-OE1 3.72Å; R498-E530 IonicContact NE-OE1 2.88Å; R498-E530 PolarHBondContact NE-OE1 3.26Å; R498-E530 IonicContact NH2-OE1 3.69Å; R498-E530 PolarHBondContact NH2-OE1 3.08Å; L526-E530 HydrophobicContact CD1-CG 4.16Å; L526-E530 HydrophobicContact CG-CG 4.39Å; L526-E530 PolarHBondContact O-N 3Å; K527-E530 PolarHBondContact O-N 3.17Å; E530-Q532 VanDerWaalsContact C-N 3.33Å; E530-Q532 PolarHBondContact O-N 3.47Å; E530-E533 PolarHBondContact O-N 2.85Å; E530-T534 WeakPolarHBondContact O-CB 3.24Å; E530-T534 PolarHBondContact O-N 3.13Å; E530-T534 PolarHBondContact O-OG1 2.75Å
531	L	94.6	Very high	93.5	Very high	31 Å²	31	65.7 Å²	65.7	16%	0.162	30%	0.303	C	S	.	.	H	α-helix	trans	-63.1	-38.3	171.9	-67.7	169.8	0	0	0	112	P456 E457 L460 K527 D535	P456-L531 HydrophobicContact CB-CD1 3.83Å; E457-L531 HydrophobicContact CG-CD1 3.75Å; E457-L531 HydrophobicContact CG-CD2 4.37Å; L460-L531 HydrophobicContact CD2-CD2 3.47Å; L460-L531 VanDerWaalsContact CD2-CD2 3.47Å; K527-L531 HydrophobicContact CG-CD1 4.29Å; K527-L531 VanDerWaalsContact O-CG 3.23Å; K527-L531 WeakPolarHBondContact O-CG 3.32Å; K527-L531 PolarHBondContact O-N 3.06Å; L531-D535 WeakPolarHBondContact O-CB 3.39Å; L531-D535 PolarHBondContact O-N 3.44Å
532	Q	93.5	Very high	93.5	Very high	79 Å²	79	58.4 Å²	58.4	37%	0.369	28%	0.276	S	S	.	.	H	α-helix	trans	-68.8	-35.3	175.9	-77	178.8	-0.8	0	0	112.9	L490 K528 L529 E530 R536	L490-Q532 HydrophobicContact CD2-CB 4.45Å; K528-Q532 VanDerWaalsContact O-CG 3.28Å; K528-Q532 WeakPolarHBondContact O-CG 3.37Å; K528-Q532 PolarHBondContact O-N 2.94Å; K528-Q532 VanDerWaalsContact O-N 3.14Å; L529-Q532 WeakPolarHBondContact O-CB 3.36Å; L529-Q532 PolarHBondContact O-N 3.22Å; L529-Q532 VanDerWaalsContact O-N 3.15Å; E530-Q532 VanDerWaalsContact C-N 3.33Å; E530-Q532 PolarHBondContact O-N 3.47Å; Q532-R536 WeakPolarHBondContact O-CB 3.43Å; Q532-R536 VanDerWaalsContact O-CG 3.23Å; Q532-R536 WeakPolarHBondContact O-CG 3.47Å; Q532-R536 PolarHBondContact O-N 3.36Å; Q532-R536 VanDerWaalsContact O-N 3.12Å
533	E	95.3	Very high	93.5	Very high	46 Å²	46	58.5 Å²	58.5	22%	0.215	28%	0.28	C	S	.	.	H	α-helix	trans	-63.6	-50.5	174.6	-174.1	-175.2	-163.8	0	0	109.9	M487 L490 K491 I494 L529 E530 D535 R536 D537	M487-E533 HydrophobicContact CE-CG 3.53Å; L490-E533 VanDerWaalsContact CD2-CA 3.47Å; L490-E533 HydrophobicContact CD2-CB 3.75Å; L490-E533 HydrophobicContact CD2-CG 4.3Å; L490-E533 HydrophobicContact CG-CB 4.36Å; K491-E533 WeakPolarHBondContact CE-OE1 3.19Å; K491-E533 WeakPolarHBondContact CG-OE1 3.34Å; I494-E533 HydrophobicContact CD1-CB 3.98Å; I494-E533 HydrophobicContact CD1-CG 4.42Å; I494-E533 WeakPolarHBondContact CD1-OE2 3.33Å; L529-E533 PolarHBondContact O-N 3.2Å; E530-E533 PolarHBondContact O-N 2.85Å; E533-D535 PolarHBondContact O-N 3.16Å; E533-R536 PolarHBondContact O-N 2.87Å; E533-D537 PolarHBondContact O-N 3.46Å
534	T	95	Very high	93.6	Very high	51 Å²	51	53.7 Å²	53.7	31%	0.313	26%	0.264	S	S	.	.	H	α-helix	trans	-55.5	-52.2	176.8	-55.8	0	0	0	0	111.1	L460 E530 R536 D537 E538	L460-T534 HydrophobicContact CD1-CG2 4.48Å; L460-T534 HydrophobicContact CD2-CG2 4.36Å; E530-T534 WeakPolarHBondContact O-CB 3.24Å; E530-T534 PolarHBondContact O-N 3.13Å; E530-T534 PolarHBondContact O-OG1 2.75Å; T534-R536 VanDerWaalsContact C-N 3.27Å; T534-R536 PolarHBondContact O-N 3.39Å; T534-D537 PolarHBondContact O-N 2.96Å; T534-E538 HydrophobicContact CG2-CG 4.29Å; T534-E538 VanDerWaalsContact CG2-OE1 3.24Å; T534-E538 WeakPolarHBondContact CG2-OE1 3.46Å; T534-E538 VanDerWaalsContact O-CB 3.27Å; T534-E538 WeakPolarHBondContact O-CB 3.43Å; T534-E538 WeakPolarHBondContact O-CG 3.26Å; T534-E538 PolarHBondContact O-N 3.4Å
535	D	93	Very high	93.7	Very high	39 Å²	39	50.9 Å²	50.9	21%	0.209	26%	0.258	C	S	.	.	H	α-helix	trans	-59.1	-36.7	179.9	-173.7	54.5	0	0	0	112.8	L460 N463 L531 E533 N539	L460-D535 HydrophobicContact CD1-CB 3.86Å; N463-D535 VanDerWaalsContact CB-OD1 3.22Å; N463-D535 WeakPolarHBondContact CB-OD1 3.34Å; N463-D535 VanDerWaalsContact ND2-CG 3.25Å; N463-D535 PolarHBondContact ND2-OD1 3.33Å; N463-D535 PolarHBondContact ND2-OD2 2.92Å; L531-D535 WeakPolarHBondContact O-CB 3.39Å; L531-D535 PolarHBondContact O-N 3.44Å; E533-D535 PolarHBondContact O-N 3.16Å; D535-N539 WeakPolarHBondContact O-CB 3.42Å; D535-N539 PolarHBondContact O-N 2.89Å; D535-N539 PolarHBondContact O-ND2 3.24Å; D535-N539 PolarHBondContact OD1-ND2 3.23Å
536	R	92.3	Very high	93.6	Very high	105 Å²	105	50.7 Å²	50.7	40%	0.396	26%	0.261	S	S	.	.	H	α-helix	trans	-74	-42.6	-179.8	-77.8	174.6	174.7	-149.2	-4.5	112.6	S486 M487 Q532 E533 T534 K540	S486-R536 PolarHBondContact OG-NH1 2.86Å; M487-R536 HydrophobicContact SD-CB 3.75Å; Q532-R536 WeakPolarHBondContact O-CB 3.43Å; Q532-R536 VanDerWaalsContact O-CG 3.23Å; Q532-R536 WeakPolarHBondContact O-CG 3.47Å; Q532-R536 PolarHBondContact O-N 3.36Å; Q532-R536 VanDerWaalsContact O-N 3.12Å; E533-R536 PolarHBondContact O-N 2.87Å; T534-R536 VanDerWaalsContact C-N 3.27Å; T534-R536 PolarHBondContact O-N 3.39Å; R536-K540 PolarHBondContact O-N 2.88Å
537	D	92.1	Very high	93.5	Very high	70 Å²	70	49.6 Å²	49.6	37%	0.374	26%	0.256	S	S	.	.	H	α-helix	trans	-68.8	-45.9	179.7	-172.8	60.3	0	0	0	110.9	M487 E533 T534 N539 K540	M487-D537 HydrophobicContact CE-CB 4.1Å; E533-D537 PolarHBondContact O-N 3.46Å; T534-D537 PolarHBondContact O-N 2.96Å; D537-N539 PolarHBondContact O-N 3.46Å; D537-K540 WeakPolarHBondContact O-CD 3.47Å; D537-K540 VanDerWaalsContact O-CG 3.24Å; D537-K540 WeakPolarHBondContact O-CG 3.32Å; D537-K540 PolarHBondContact O-N 2.95Å; D537-K540 WeakPolarHBondContact OD1-CD 3.08Å; D537-K540 IonicContact OD1-NZ 3.16Å; D537-K540 PolarHBondContact OD1-NZ 3.17Å; D537-K540 IonicContact OD2-NZ 3.63Å
538	E	93.2	Very high	93.5	Very high	35 Å²	35	46.8 Å²	46.8	16%	0.164	24%	0.244	C	C	.	.	H	α-helix	trans	-56.8	-36.2	176.8	-80.1	-167.3	-154.9	0	0	112.8	R464 R467 T534	R464-E538 WeakPolarHBondContact CG-OE2 3.44Å; R464-E538 IonicContact CZ-OE1 3.53Å; R464-E538 VanDerWaalsContact CZ-OE1 3.31Å; R464-E538 IonicContact NE-OE1 2.71Å; R464-E538 PolarHBondContact NE-OE1 3.49Å; R464-E538 IonicContact NE-OE2 3.36Å; R464-E538 PolarHBondContact NE-OE2 2.9Å; R464-E538 IonicContact NH2-OE1 3.24Å; R464-E538 PolarHBondContact NH2-OE1 2.77Å; R467-E538 PolarHBondContact NE-O 3.15Å; R467-E538 IonicContact NH1-OE2 2.7Å; R467-E538 PolarHBondContact NH1-OE2 2.6Å; R467-E538 PolarHBondContact NH2-O 3.05Å; T534-E538 HydrophobicContact CG2-CG 4.29Å; T534-E538 VanDerWaalsContact CG2-OE1 3.24Å; T534-E538 WeakPolarHBondContact CG2-OE1 3.46Å; T534-E538 VanDerWaalsContact O-CB 3.27Å; T534-E538 WeakPolarHBondContact O-CB 3.43Å; T534-E538 WeakPolarHBondContact O-CG 3.26Å; T534-E538 PolarHBondContact O-N 3.4Å
539	N	91.7	Very high	93.5	Very high	8 Å²	8	44.3 Å²	44.3	4%	0.043	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	9.7	-176	-66.7	-57.6	0	0	0	114.3	R477 D535 D537 T541 I542	R477-N539 PolarHBondContact NE-O 2.95Å; R477-N539 PolarHBondContact NH2-O 2.8Å; D535-N539 WeakPolarHBondContact O-CB 3.42Å; D535-N539 PolarHBondContact O-N 2.89Å; D535-N539 PolarHBondContact O-ND2 3.24Å; D535-N539 PolarHBondContact OD1-ND2 3.23Å; D537-N539 PolarHBondContact O-N 3.46Å; N539-T541 VanDerWaalsContact C-N 3.28Å; N539-T541 PolarHBondContact O-N 2.86Å; N539-I542 PolarHBondContact O-N 3.31Å; N539-I542 VanDerWaalsContact O-N 3.14Å
540	K	91.9	Very high	93.3	Very high	70 Å²	70	46.5 Å²	46.5	30%	0.304	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-36	-173.3	69.8	-166.7	166.8	-164.6	0	113.8	R477 V479 H483 R536 D537	R477-K540 PolarHBondContact NE-O 3.36Å; V479-K540 HydrophobicContact CG2-CG 4.37Å; H483-K540 WeakPolarHBondContact NE2-CB 3.31Å; R536-K540 PolarHBondContact O-N 2.88Å; D537-K540 WeakPolarHBondContact O-CD 3.47Å; D537-K540 VanDerWaalsContact O-CG 3.24Å; D537-K540 WeakPolarHBondContact O-CG 3.32Å; D537-K540 PolarHBondContact O-N 2.95Å; D537-K540 WeakPolarHBondContact OD1-CD 3.08Å; D537-K540 IonicContact OD1-NZ 3.16Å; D537-K540 PolarHBondContact OD1-NZ 3.17Å; D537-K540 IonicContact OD2-NZ 3.63Å
541	T	92.6	Very high	93.3	Very high	62 Å²	62	45.7 Å²	45.7	38%	0.38	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	1.9	177.7	53.5	0	0	0	0	114.4	Q476 R477 V479 N539	Q476-T541 CarbonylContact C-O 3.53Å; Q476-T541 WeakPolarHBondContact CA-O 2.91Å; R477-T541 PolarHBondContact N-O 3.48Å; R477-T541 CarbonylContact O-C 3.53Å; R477-T541 WeakPolarHBondContact O-CA 3.42Å; R477-T541 VanDerWaalsContact O-O 3.13Å; V479-T541 HydrophobicContact CG2-CG2 3.84Å; N539-T541 VanDerWaalsContact C-N 3.28Å; N539-T541 PolarHBondContact O-N 2.86Å
542	I	93.4	Very high	93.5	Very high	17 Å²	17	44.3 Å²	44.3	9%	0.087	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-115.9	135.6	-171.9	-54.3	-61.7	0	0	0	111.8	R467 A470 I471 R477 N539 L544	R467-I542 HydrophobicContact CG-CG1 4.44Å; R467-I542 HydrophobicContact CG-CG2 4.34Å; A470-I542 HydrophobicContact CB-CG2 3.41Å; A470-I542 VanDerWaalsContact CB-CG2 3.41Å; I471-I542 HydrophobicContact CG1-CD1 4.11Å; R477-I542 PolarHBondContact NE-O 2.95Å; R477-I542 VanDerWaalsContact NE-O 3.14Å; N539-I542 PolarHBondContact O-N 3.31Å; N539-I542 VanDerWaalsContact O-N 3.14Å; I542-L544 HydrophobicContact CG2-CD2 3.94Å
543	A	93.6	Very high	93.7	Very high	21 Å²	21	40.6 Å²	40.6	17%	0.174	22%	0.217	C	C	.	.			trans	-102.7	82.4	-177.4	0	0	0	0	0	112.7	H475 R477 G545	H475-A543 HydrophobicContact CB-CB 4.46Å; H475-A543 PolarHBondContact O-N 3.47Å; R477-A543 HydrophobicContact CB-CB 4.32Å; R477-A543 HydrophobicContact CG-CB 4.42Å; A543-G545 VanDerWaalsContact C-N 3.25Å; A543-G545 PolarHBondContact O-N 3.43Å
544	L	94.1	Very high	93.9	Very high	30 Å²	30	38.4 Å²	38.4	16%	0.157	21%	0.207	C	C	.	.	H	α-helix	trans	-63.8	-20.2	-177.4	-62.9	-171.8	0	0	0	116	N463 N466 R467 A470 I542 S547 K548	N463-L544 HydrophobicContact CB-CD1 4.42Å; N466-L544 HydrophobicContact CB-CD2 4.41Å; N466-L544 PolarHBondContact ND2-O 2.77Å; N466-L544 VanDerWaalsContact ND2-O 3.14Å; R467-L544 HydrophobicContact CB-CD2 4.05Å; A470-L544 HydrophobicContact CB-CD2 4.07Å; I542-L544 HydrophobicContact CG2-CD2 3.94Å; L544-S547 PolarHBondContact O-OG 3.17Å; L544-K548 VanDerWaalsContact O-CB 3.29Å; L544-K548 WeakPolarHBondContact O-CB 3.32Å; L544-K548 PolarHBondContact O-N 3.23Å
545	G	94.1	Very high	94	Very high	39 Å²	39	36.6 Å²	36.6	40%	0.402	20%	0.195	S	C	.	.	H	α-helix	trans	-71.1	-34.1	-175.7	0	0	0	0	0	113.2	A543 L549	A543-G545 VanDerWaalsContact C-N 3.25Å; A543-G545 PolarHBondContact O-N 3.43Å; G545-L549 WeakPolarHBondContact O-CB 3.31Å; G545-L549 WeakPolarHBondContact O-CG 3.32Å; G545-L549 PolarHBondContact O-N 3.37Å; G545-L549 VanDerWaalsContact O-N 3.09Å
546	T	92.4	Very high	94.3	Very high	60 Å²	60	34.8 Å²	34.8	37%	0.368	19%	0.185	S	C	.	.	H	α-helix	trans	-69.6	-46.3	-174.5	-60.2	0	0	0	0	111.5	N550 Y551	T546-N550 PolarHBondContact O-N 3.18Å; T546-N550 PolarHBondContact O-ND2 3.31Å; T546-N550 VanDerWaalsContact O-ND2 3.12Å; T546-Y551 HydrophobicContact CG2-CE2 3.95Å; T546-Y551 WeakPolarHBondContact O-CD2 3.25Å
547	S	92.5	Very high	94.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-59	-54.8	173.4	52.1	0	0	0	0	110.8	N466 H475 L544 L549 N550 Y551 L552	N466-S547 PolarHBondContact OD1-OG 3.35Å; H475-S547 PolarHBondContact ND1-N 3.05Å; L544-S547 PolarHBondContact O-OG 3.17Å; S547-L549 VanDerWaalsContact C-N 3.29Å; S547-L549 PolarHBondContact O-N 2.89Å; S547-N550 PolarHBondContact O-N 3.38Å; S547-Y551 PolarHBondContact O-N 3.16Å; S547-L552 PolarHBondContact O-N 3.26Å
548	K	94.1	Very high	94.9	Very high	26 Å²	26	26.7 Å²	26.7	11%	0.113	15%	0.15	C	C	.	.	H	α-helix	trans	-56.6	-36	-177	-173.5	169.5	-174	161	0	114.5	L544 L552 I571 F572	L544-K548 VanDerWaalsContact O-CB 3.29Å; L544-K548 WeakPolarHBondContact O-CB 3.32Å; L544-K548 PolarHBondContact O-N 3.23Å; K548-L552 HydrophobicContact CB-CD1 4.44Å; K548-I571 WeakPolarHBondContact CE-O 3.21Å; K548-I571 PolarHBondContact NZ-O 3.48Å; K548-F572 HydrophobicContact CD-CE1 4.4Å; K548-F572 HydrophobicContact CG-CE1 4Å
549	L	92.9	Very high	95.2	Very high	57 Å²	57	25.2 Å²	25.2	30%	0.298	14%	0.143	S	C	.	.	H	α-helix	trans	-86.3	-27.9	-176.4	-76	173.4	0	0	0	114.1	G545 S547 Q576 K579 F580	G545-L549 WeakPolarHBondContact O-CB 3.31Å; G545-L549 WeakPolarHBondContact O-CG 3.32Å; G545-L549 PolarHBondContact O-N 3.37Å; G545-L549 VanDerWaalsContact O-N 3.09Å; S547-L549 VanDerWaalsContact C-N 3.29Å; S547-L549 PolarHBondContact O-N 2.89Å; L549-Q576 HydrophobicContact CD2-CG 3.65Å; L549-K579 PolarHBondContact O-NZ 2.92Å; L549-F580 HydrophobicContact CD2-CE2 4.39Å
550	N	92.3	Very high	95.5	Very high	75 Å²	75	25.4 Å²	25.4	40%	0.401	14%	0.144	S	C	.	.	H	α-helix	trans	-128.6	-22.8	-162.6	-56.7	-65.2	0	0	0	114.8	K287 T546 S547	K287-N550 PolarHBondContact NZ-O 2.94Å; T546-N550 PolarHBondContact O-N 3.18Å; T546-N550 PolarHBondContact O-ND2 3.31Å; T546-N550 VanDerWaalsContact O-ND2 3.12Å; S547-N550 PolarHBondContact O-N 3.38Å
551	Y	95.8	Very high	95.8	Very high	39 Å²	39	22.4 Å²	22.4	15%	0.153	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.4	-21.6	-170.3	-59.4	-87.5	0	0	0	113.6	R433 S438 H475 T546 S547	R433-Y551 HydrophobicContact CB-CD1 4.5Å; R433-Y551 VanDerWaalsContact NH1-CE1 3.3Å; R433-Y551 PolarHBondContact NH1-OH 2.92Å; R433-Y551 VanDerWaalsContact NH1-OH 3.14Å; S438-Y551 PolarHBondContact OG-O 3.42Å; H475-Y551 AromaticContact CE1-CD2 3.69Å; H475-Y551 AromaticContact CE1-CE2 3.62Å; H475-Y551 AromaticContact NE2-CE2 3.84Å; T546-Y551 HydrophobicContact CG2-CE2 3.95Å; T546-Y551 WeakPolarHBondContact O-CD2 3.25Å; S547-Y551 PolarHBondContact O-N 3.16Å
552	L	97.8	Very high	96	Very high	2 Å²	2	24 Å²	24	1%	0.01	13%	0.133	C	C	.	.	S	Bend	trans	-92.7	127.1	178.7	-64.1	-179.7	0	0	0	110.8	Y288 A437 L441 N466 V469 S547 K548 P554	Y288-L552 WeakPolarHBondContact CE1-O 3.08Å; Y288-L552 PolarHBondContact OH-O 2.79Å; A437-L552 HydrophobicContact CB-CD2 4.19Å; A437-L552 WeakPolarHBondContact O-CD2 3.43Å; L441-L552 HydrophobicContact CB-CD2 3.65Å; L441-L552 HydrophobicContact CD1-CD1 4.3Å; L441-L552 HydrophobicContact CD2-CB 4.13Å; L441-L552 HydrophobicContact CD2-CD1 3.75Å; L441-L552 HydrophobicContact CD2-CD2 3.79Å; L441-L552 HydrophobicContact CD2-CG 4.08Å; L441-L552 HydrophobicContact CG-CD1 4.47Å; L441-L552 HydrophobicContact CG-CD2 4.23Å; N466-L552 VanDerWaalsContact OD1-CD1 3.27Å; N466-L552 WeakPolarHBondContact OD1-CD1 3.44Å; V469-L552 HydrophobicContact CB-CD2 4.46Å; V469-L552 HydrophobicContact CG1-CD2 3.85Å; V469-L552 HydrophobicContact CG2-CD2 4.1Å; S547-L552 PolarHBondContact O-N 3.26Å; K548-L552 HydrophobicContact CB-CD1 4.44Å; L552-P554 WeakPolarHBondContact O-CD 3.17Å
553	D	98.4	Very high	96.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.153	C	C	.	.			trans	-62.1	115.1	170.2	-171.9	-29	0	0	0	109.4	Y288 S438 R555 I556 Y591 F593	Y288-D553 WeakPolarHBondContact CB-OD2 3.5Å; Y288-D553 HydrophobicContact CD1-CB 3.64Å; Y288-D553 VanDerWaalsContact CE1-CA 3.41Å; Y288-D553 HydrophobicContact CE1-CB 4.06Å; Y288-D553 HydrophobicContact CG-CB 3.96Å; S438-D553 PolarHBondContact OG-N 3.48Å; D553-R555 PolarHBondContact O-N 3.26Å; D553-R555 VanDerWaalsContact O-N 3.12Å; D553-R555 VanDerWaalsContact OD1-CB 3.26Å; D553-R555 WeakPolarHBondContact OD1-CB 3.29Å; D553-R555 WeakPolarHBondContact OD1-CG 3.43Å; D553-R555 IonicContact OD1-CZ 3.62Å; D553-R555 PolarHBondContact OD1-N 2.97Å; D553-R555 IonicContact OD1-NE 3.97Å; D553-R555 PolarHBondContact OD1-NE 3.28Å; D553-R555 IonicContact OD1-NH2 3.08Å; D553-R555 IonicContact OD2-CZ 2.64Å; D553-R555 IonicContact OD2-NE 4Å; D553-R555 PolarHBondContact OD2-NE 3.03Å; D553-R555 IonicContact OD2-NH2 3.94Å; D553-R555 PolarHBondContact OD2-NH2 3.04Å; D553-I556 HydrophobicContact CB-CD1 3.97Å; D553-I556 HydrophobicContact CB-CG1 4.15Å; D553-I556 WeakPolarHBondContact O-CB 3.37Å; D553-I556 PolarHBondContact O-N 3.11Å; D553-I556 VanDerWaalsContact O-N 3.13Å; D553-Y591 PolarHBondContact OD2-OH 2.88Å; D553-F593 HydrophobicContact CB-CD2 3.79Å; D553-F593 HydrophobicContact CB-CE2 4.11Å; D553-F593 WeakPolarHBondContact OD2-CD2 3.32Å
554	P	98.3	Very high	96.4	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.006	15%	0.149	C	C	.	.	H	α-helix	trans	-62.2	-21.7	-176.3	27.1	-37	0	0	0	113.1	Y288 L552 I556 S557 V558 F572 F580 W582 A583	Y288-P554 VanDerWaalsContact CE2-CD 3.47Å; Y288-P554 HydrophobicContact CE2-CG 4.43Å; L552-P554 WeakPolarHBondContact O-CD 3.17Å; P554-I556 VanDerWaalsContact C-N 3.26Å; P554-I556 PolarHBondContact O-N 2.9Å; P554-S557 PolarHBondContact O-N 2.87Å; P554-V558 WeakPolarHBondContact O-CG2 3.39Å; P554-V558 PolarHBondContact O-N 3.05Å; P554-F572 HydrophobicContact CB-CZ 4.3Å; P554-F580 HydrophobicContact CB-CB 3.87Å; P554-F580 HydrophobicContact CB-CD1 3.72Å; P554-F580 HydrophobicContact CB-CD2 4.01Å; P554-F580 HydrophobicContact CB-CE1 4.15Å; P554-F580 HydrophobicContact CB-CE2 4.43Å; P554-F580 HydrophobicContact CB-CG 3.62Å; P554-F580 HydrophobicContact CB-CZ 4.48Å; P554-F580 HydrophobicContact CG-CB 4.3Å; P554-F580 HydrophobicContact CG-CD1 3.6Å; P554-F580 HydrophobicContact CG-CE1 3.99Å; P554-F580 HydrophobicContact CG-CG 4.02Å; P554-W582 HydrophobicContact CG-CH2 3.91Å; P554-W582 HydrophobicContact CG-CZ2 3.61Å; P554-A583 HydrophobicContact CB-CB 3.85Å; P554-A583 HydrophobicContact CG-CB 3.61Å
555	R	98.6	Very high	96.6	Very high	12 Å²	12	33.9 Å²	33.9	5%	0.045	18%	0.177	C	C	.	.	H	α-helix	trans	-64.4	-31.4	177.5	-66.5	175.9	-72.8	-171.9	3.9	112.2	E289 D553 V558 A559 W582 A583 A587 Y591	E289-R555 IonicContact OE1-CZ 3.62Å; E289-R555 IonicContact OE1-NH1 2.88Å; E289-R555 PolarHBondContact OE1-NH1 3.09Å; E289-R555 IonicContact OE1-NH2 3.64Å; E289-R555 PolarHBondContact OE1-NH2 3.06Å; D553-R555 PolarHBondContact O-N 3.26Å; D553-R555 VanDerWaalsContact O-N 3.12Å; D553-R555 VanDerWaalsContact OD1-CB 3.26Å; D553-R555 WeakPolarHBondContact OD1-CB 3.29Å; D553-R555 WeakPolarHBondContact OD1-CG 3.43Å; D553-R555 IonicContact OD1-CZ 3.62Å; D553-R555 PolarHBondContact OD1-N 2.97Å; D553-R555 IonicContact OD1-NE 3.97Å; D553-R555 PolarHBondContact OD1-NE 3.28Å; D553-R555 IonicContact OD1-NH2 3.08Å; D553-R555 IonicContact OD2-CZ 2.64Å; D553-R555 IonicContact OD2-NE 4Å; D553-R555 PolarHBondContact OD2-NE 3.03Å; D553-R555 IonicContact OD2-NH2 3.94Å; D553-R555 PolarHBondContact OD2-NH2 3.04Å; R555-V558 PolarHBondContact O-N 3.03Å; R555-A559 VanDerWaalsContact O-CB 3.29Å; R555-A559 WeakPolarHBondContact O-CB 3.28Å; R555-A559 PolarHBondContact O-N 2.88Å; R555-W582 HydrophobicContact CG-CH2 4.39Å; R555-W582 HydrophobicContact CG-CZ3 3.94Å; R555-A583 HydrophobicContact CG-CB 3.65Å; R555-A587 HydrophobicContact CB-CB 3.69Å; R555-A587 HydrophobicContact CG-CB 3.8Å; R555-Y591 HydrophobicContact CB-CD1 3.64Å; R555-Y591 HydrophobicContact CB-CD2 4.14Å; R555-Y591 HydrophobicContact CB-CE1 3.37Å; R555-Y591 HydrophobicContact CB-CE2 3.91Å; R555-Y591 HydrophobicContact CB-CG 4.02Å; R555-Y591 HydrophobicContact CG-CE2 4.43Å; R555-Y591 VanDerWaalsContact CZ-OH 3.25Å; R555-Y591 PolarHBondContact NE-OH 2.91Å; R555-Y591 VanDerWaalsContact NE-OH 3.17Å; R555-Y591 PolarHBondContact NH2-OH 2.8Å
556	I	98.6	Very high	96.7	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-59.4	-49.8	173	-60	169.9	0	0	0	109.8	S438 L441 Q442 L445 D553 P554 V558 A559 W560 Y591 F593	S438-I556 VanDerWaalsContact O-CD1 3.32Å; S438-I556 WeakPolarHBondContact O-CD1 3.48Å; L441-I556 HydrophobicContact CD2-CB 4.27Å; L441-I556 HydrophobicContact CD2-CG2 3.9Å; L441-I556 HydrophobicContact CG-CG2 4.18Å; Q442-I556 HydrophobicContact CB-CD1 4.4Å; Q442-I556 HydrophobicContact CB-CG2 4.35Å; L445-I556 HydrophobicContact CD1-CG2 3.93Å; D553-I556 HydrophobicContact CB-CD1 3.97Å; D553-I556 HydrophobicContact CB-CG1 4.15Å; D553-I556 WeakPolarHBondContact O-CB 3.37Å; D553-I556 PolarHBondContact O-N 3.11Å; D553-I556 VanDerWaalsContact O-N 3.13Å; P554-I556 VanDerWaalsContact C-N 3.26Å; P554-I556 PolarHBondContact O-N 2.9Å; I556-V558 PolarHBondContact O-N 3.25Å; I556-A559 PolarHBondContact O-N 3.38Å; I556-W560 WeakPolarHBondContact O-CB 3.32Å; I556-W560 PolarHBondContact O-N 3.39Å; I556-Y591 HydrophobicContact CG1-CE1 4.01Å; I556-F593 HydrophobicContact CD1-CB 3.7Å; I556-F593 HydrophobicContact CD1-CD2 4.37Å; I556-F593 HydrophobicContact CD1-CG 4.05Å; I556-F593 HydrophobicContact CG1-CB 3.82Å
557	S	98.4	Very high	97	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.007	16%	0.157	C	C	.	.	H	α-helix	trans	-65.6	-38	179.2	-50.9	0	0	0	0	112.3	Y462 P554 C561	Y462-S557 PolarHBondContact OH-OG 3.35Å; P554-S557 PolarHBondContact O-N 2.87Å; S557-C561 WeakPolarHBondContact O-CB 3.26Å; S557-C561 PolarHBondContact O-N 2.91Å; S557-C561 PolarHBondContact O-SG 3.3Å
558	V	98.4	Very high	97.2	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.024	17%	0.166	C	C	.	.	H	α-helix	trans	-64	-48.9	176.7	169.3	0	0	0	0	110.7	P554 R555 I556 W560 C561 K562 I568 A583 V584 A587	P554-V558 WeakPolarHBondContact O-CG2 3.39Å; P554-V558 PolarHBondContact O-N 3.05Å; R555-V558 PolarHBondContact O-N 3.03Å; I556-V558 PolarHBondContact O-N 3.25Å; V558-W560 VanDerWaalsContact C-N 3.35Å; V558-W560 PolarHBondContact O-N 2.99Å; V558-C561 WeakPolarHBondContact O-CB 3.33Å; V558-C561 PolarHBondContact O-N 3.35Å; V558-K562 HydrophobicContact CG1-CD 4.3Å; V558-K562 WeakPolarHBondContact O-CG 3.47Å; V558-K562 PolarHBondContact O-N 2.77Å; V558-I568 HydrophobicContact CG2-CD1 4.24Å; V558-A583 HydrophobicContact CG2-CB 4.42Å; V558-V584 HydrophobicContact CG2-CG2 3.91Å; V558-A587 HydrophobicContact CB-CB 4.4Å; V558-A587 HydrophobicContact CG1-CB 4.1Å
559	A	98.6	Very high	97.3	Very high	4 Å²	4	37.3 Å²	37.3	3%	0.033	18%	0.184	C	C	.	.	H	α-helix	trans	-59.5	-46.7	179	0	0	0	0	0	111.5	R555 I556 C561 K562 K563 D588 Y591	R555-A559 VanDerWaalsContact O-CB 3.29Å; R555-A559 WeakPolarHBondContact O-CB 3.28Å; R555-A559 PolarHBondContact O-N 2.88Å; I556-A559 PolarHBondContact O-N 3.38Å; A559-C561 PolarHBondContact O-N 3.42Å; A559-K562 PolarHBondContact O-N 2.85Å; A559-K563 VanDerWaalsContact O-CB 3.3Å; A559-K563 WeakPolarHBondContact O-CB 3.48Å; A559-K563 PolarHBondContact O-N 3.43Å; A559-D588 VanDerWaalsContact CA-O 3.31Å; A559-D588 WeakPolarHBondContact CA-O 3.49Å; A559-D588 WeakPolarHBondContact CB-O 3.28Å; A559-Y591 HydrophobicContact CB-CD1 4.42Å
560	W	98.6	Very high	97.4	Very high	12 Å²	12	40.6 Å²	40.6	5%	0.045	20%	0.196	C	C	.	.	H	α-helix	trans	-59.6	-43.6	175.5	-179.3	88.8	0	0	0	112.4	L445 T449 K458 Y462 I556 V558 K562 K563 H564 V566 I571	L445-W560 HydrophobicContact CD1-CB 4.14Å; L445-W560 HydrophobicContact CD1-CG 4.02Å; L445-W560 HydrophobicContact CD2-CD2 4.43Å; L445-W560 HydrophobicContact CD2-CG 4.36Å; T449-W560 HydrophobicContact CG2-CZ2 4.11Å; T449-W560 PolarHBondContact OG1-NE1 3.48Å; K458-W560 HydrophobicContact CB-CH2 3.92Å; K458-W560 HydrophobicContact CB-CZ2 3.94Å; K458-W560 WeakPolarHBondContact O-CH2 3.29Å; K458-W560 WeakPolarHBondContact O-CZ2 3.19Å; Y462-W560 HydrophobicContact CD2-CD2 4.07Å; Y462-W560 AromaticContact CD2-CE3 3.77Å; Y462-W560 HydrophobicContact CD2-CE3 3.77Å; Y462-W560 HydrophobicContact CD2-CH2 4.2Å; Y462-W560 HydrophobicContact CD2-CZ2 4.48Å; Y462-W560 AromaticContact CD2-CZ3 3.84Å; Y462-W560 HydrophobicContact CD2-CZ3 3.84Å; Y462-W560 HydrophobicContact CE2-CE3 4.35Å; Y462-W560 HydrophobicContact CG-CH2 4.47Å; Y462-W560 HydrophobicContact CG-CZ3 4.41Å; I556-W560 WeakPolarHBondContact O-CB 3.32Å; I556-W560 PolarHBondContact O-N 3.39Å; V558-W560 VanDerWaalsContact C-N 3.35Å; V558-W560 PolarHBondContact O-N 2.99Å; W560-K562 PolarHBondContact O-N 2.87Å; W560-K563 PolarHBondContact O-N 2.57Å; W560-H564 AromaticContact CD1-CD2 3.45Å; W560-H564 VanDerWaalsContact CD1-CD2 3.45Å; W560-H564 AromaticContact CD1-NE2 3.84Å; W560-H564 AromaticContact CE2-CD2 3.98Å; W560-H564 AromaticContact CG-CD2 3.96Å; W560-H564 AromaticContact NE1-CD2 3.47Å; W560-H564 PolarHBondContact NE1-CD2 2.88Å; W560-H564 AromaticContact NE1-NE2 3.9Å; W560-H564 PolarHBondContact O-CD2 3.26Å; W560-H564 PolarHBondContact O-N 3.27Å; W560-H564 VanDerWaalsContact O-N 3.08Å; W560-V566 HydrophobicContact CH2-CB 4.3Å; W560-V566 HydrophobicContact CH2-CG1 4.3Å; W560-V566 HydrophobicContact CH2-CG2 3.81Å; W560-V566 HydrophobicContact CZ3-CB 3.83Å; W560-V566 HydrophobicContact CZ3-CG1 3.84Å; W560-V566 HydrophobicContact CZ3-CG2 3.84Å; W560-I571 HydrophobicContact CZ3-CD1 4.01Å; W560-I571 HydrophobicContact CZ3-CG1 4.19Å
561	C	98.3	Very high	97.6	Very high	7 Å²	7	37.4 Å²	37.4	5%	0.047	18%	0.179	C	C	.	.	H	α-helix	trans	-61.1	-43.7	176.1	-78.2	0	0	0	0	112.2	S557 V558 A559 D565 V566 I568 I571	S557-C561 WeakPolarHBondContact O-CB 3.26Å; S557-C561 PolarHBondContact O-N 2.91Å; S557-C561 PolarHBondContact O-SG 3.3Å; V558-C561 WeakPolarHBondContact O-CB 3.33Å; V558-C561 PolarHBondContact O-N 3.35Å; A559-C561 PolarHBondContact O-N 3.42Å; C561-D565 PolarHBondContact O-N 3.3Å; C561-V566 VanDerWaalsContact CB-O 3.28Å; C561-V566 WeakPolarHBondContact CB-O 3.47Å; C561-V566 PolarHBondContact O-N 3Å; C561-I568 HydrophobicContact CB-CD1 4.09Å; C561-I571 VanDerWaalsContact SG-CG1 3.54Å
562	K	97.8	Very high	97.6	Very high	95 Å²	95	35.6 Å²	35.6	41%	0.413	17%	0.172	S	C	.	.	H	α-helix	trans	-64.9	-49.3	177.7	-70	-178.5	177.2	-176.1	0	111.1	V558 A559 W560 H564 D565 V584 A587 E589	V558-K562 HydrophobicContact CG1-CD 4.3Å; V558-K562 WeakPolarHBondContact O-CG 3.47Å; V558-K562 PolarHBondContact O-N 2.77Å; A559-K562 PolarHBondContact O-N 2.85Å; W560-K562 PolarHBondContact O-N 2.87Å; K562-H564 VanDerWaalsContact C-N 3.3Å; K562-H564 PolarHBondContact O-N 2.67Å; K562-D565 PolarHBondContact O-N 2.97Å; K562-V584 PolarHBondContact NZ-O 3.23Å; K562-A587 WeakPolarHBondContact CE-O 3.31Å; K562-A587 PolarHBondContact NZ-O 3.48Å; K562-E589 HydrophobicContact CB-CB 3.84Å
563	K	97.7	Very high	97.5	Very high	115 Å²	115	39.5 Å²	39.5	50%	0.5	19%	0.193	S	C	.	.	H	α-helix	trans	-59.9	-34.6	-178.3	-173.9	175.3	-178.1	179.6	0	114	A559 W560 E589	A559-K563 VanDerWaalsContact O-CB 3.3Å; A559-K563 WeakPolarHBondContact O-CB 3.48Å; A559-K563 PolarHBondContact O-N 3.43Å; W560-K563 PolarHBondContact O-N 2.57Å; K563-E589 HydrophobicContact CB-CB 4.17Å
564	H	97.4	Very high	97.4	Very high	23 Å²	23	47.2 Å²	47.2	11%	0.106	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	11.6	-174	-64.7	-71.5	0	0	0	114.4	K458 W560 K562 V566	K458-H564 HydrophobicContact CD-CB 4.14Å; K458-H564 PolarHBondContact NZ-O 2.81Å; W560-H564 AromaticContact CD1-CD2 3.45Å; W560-H564 VanDerWaalsContact CD1-CD2 3.45Å; W560-H564 AromaticContact CD1-NE2 3.84Å; W560-H564 AromaticContact CE2-CD2 3.98Å; W560-H564 AromaticContact CG-CD2 3.96Å; W560-H564 AromaticContact NE1-CD2 3.47Å; W560-H564 PolarHBondContact NE1-CD2 2.88Å; W560-H564 AromaticContact NE1-NE2 3.9Å; W560-H564 PolarHBondContact O-CD2 3.26Å; W560-H564 PolarHBondContact O-N 3.27Å; W560-H564 VanDerWaalsContact O-N 3.08Å; K562-H564 VanDerWaalsContact C-N 3.3Å; K562-H564 PolarHBondContact O-N 2.67Å; H564-V566 VanDerWaalsContact C-N 3.29Å; H564-V566 HydrophobicContact CB-CG2 4.22Å; H564-V566 PolarHBondContact O-N 3.01Å
565	D	96.8	Very high	97.1	Very high	139 Å²	139	52.1 Å²	52.1	74%	0.743	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	45.1	-176.7	-165.2	35.2	0	0	0	113.2	C561 K562	C561-D565 PolarHBondContact O-N 3.3Å; K562-D565 PolarHBondContact O-N 2.97Å
566	V	97.7	Very high	96.9	Very high	5 Å²	5	52.7 Å²	52.7	3%	0.03	26%	0.26	C	S	.	.			trans	-99.3	121.9	176.6	179.3	0	0	0	0	109.3	V455 K458 L459 W560 C561 H564 I568 K570	V455-V566 HydrophobicContact CG1-CG1 4.36Å; K458-V566 HydrophobicContact CB-CG2 4.19Å; K458-V566 HydrophobicContact CD-CG2 4.01Å; L459-V566 HydrophobicContact CD2-CG1 4.04Å; W560-V566 HydrophobicContact CH2-CB 4.3Å; W560-V566 HydrophobicContact CH2-CG1 4.3Å; W560-V566 HydrophobicContact CH2-CG2 3.81Å; W560-V566 HydrophobicContact CZ3-CB 3.83Å; W560-V566 HydrophobicContact CZ3-CG1 3.84Å; W560-V566 HydrophobicContact CZ3-CG2 3.84Å; C561-V566 VanDerWaalsContact CB-O 3.28Å; C561-V566 WeakPolarHBondContact CB-O 3.47Å; C561-V566 PolarHBondContact O-N 3Å; H564-V566 VanDerWaalsContact C-N 3.29Å; H564-V566 HydrophobicContact CB-CG2 4.22Å; H564-V566 PolarHBondContact O-N 3.01Å; V566-I568 PolarHBondContact O-N 2.7Å; V566-K570 HydrophobicContact CG1-CB 4.46Å
567	P	97.4	Very high	96.7	Very high	49 Å²	49	56.4 Å²	56.4	32%	0.318	27%	0.274	S	S	.	.			trans	-60.5	126.1	179.3	-22.8	31.6	0	0	0	111.6	E569 K570	P567-E569 VanDerWaalsContact CB-CD 3.4Å; P567-E569 HydrophobicContact CB-CG 4.38Å; P567-E569 VanDerWaalsContact CB-OE1 3.31Å; P567-E569 WeakPolarHBondContact CB-OE1 3.41Å; P567-E569 WeakPolarHBondContact CB-OE2 3.43Å; P567-E569 PolarHBondContact O-N 2.71Å; P567-K570 HydrophobicContact CB-CG 4.21Å; P567-K570 VanDerWaalsContact O-CB 3.28Å; P567-K570 WeakPolarHBondContact O-CB 3.11Å; P567-K570 WeakPolarHBondContact O-CG 3.5Å; P567-K570 PolarHBondContact O-N 3.44Å
568	I	96.8	Very high	96.5	Very high	38 Å²	38	59.8 Å²	59.8	20%	0.195	29%	0.294	C	S	.	.	H	α-helix	trans	-58.4	-26.8	-173.5	-167.9	61.7	0	0	0	112.6	V558 C561 V566 K570 I571 F572	V558-I568 HydrophobicContact CG2-CD1 4.24Å; C561-I568 HydrophobicContact CB-CD1 4.09Å; V566-I568 PolarHBondContact O-N 2.7Å; I568-K570 PolarHBondContact O-N 2.9Å; I568-I571 PolarHBondContact O-N 2.89Å; I568-I571 VanDerWaalsContact O-N 3.12Å; I568-F572 HydrophobicContact CD1-CD2 3.59Å; I568-F572 HydrophobicContact CD1-CE2 3.94Å; I568-F572 HydrophobicContact CG1-CD2 3.95Å; I568-F572 PolarHBondContact O-N 3.27Å
569	E	96.3	Very high	96.3	Very high	104 Å²	104	61 Å²	61	49%	0.486	30%	0.299	S	S	.	.	H	α-helix	trans	-67.4	-17.4	175.8	68.2	-87.3	-159.4	0	0	114.8	P567 F572	P567-E569 VanDerWaalsContact CB-CD 3.4Å; P567-E569 HydrophobicContact CB-CG 4.38Å; P567-E569 VanDerWaalsContact CB-OE1 3.31Å; P567-E569 WeakPolarHBondContact CB-OE1 3.41Å; P567-E569 WeakPolarHBondContact CB-OE2 3.43Å; P567-E569 PolarHBondContact O-N 2.71Å; E569-F572 WeakPolarHBondContact CA-O 2.87Å
570	K	95.7	Very high	96.2	Very high	126 Å²	126	60.8 Å²	60.8	55%	0.548	30%	0.298	S	S	.	.	H	α-helix	trans	-75.2	-30.3	171.8	-59.8	-66	-176.4	179.3	0	111.4	L459 V566 P567 I568	L459-K570 HydrophobicContact CD1-CB 4.1Å; L459-K570 HydrophobicContact CD1-CG 4.43Å; L459-K570 HydrophobicContact CD2-CB 3.75Å; V566-K570 HydrophobicContact CG1-CB 4.46Å; P567-K570 HydrophobicContact CB-CG 4.21Å; P567-K570 VanDerWaalsContact O-CB 3.28Å; P567-K570 WeakPolarHBondContact O-CB 3.11Å; P567-K570 WeakPolarHBondContact O-CG 3.5Å; P567-K570 PolarHBondContact O-N 3.44Å; I568-K570 PolarHBondContact O-N 2.9Å
571	I	96.6	Very high	96	Very high	8 Å²	8	61.6 Å²	61.6	4%	0.041	30%	0.303	C	S	.	.	H	α-helix	trans	-88.8	-57.5	175.4	-58.9	-55.2	0	0	0	110	L459 Y462 K548 W560 C561 I568	L459-I571 HydrophobicContact CD2-CD1 3.52Å; L459-I571 HydrophobicContact CD2-CG1 4.45Å; Y462-I571 HydrophobicContact CD1-CD1 3.78Å; Y462-I571 HydrophobicContact CD2-CD1 3.85Å; Y462-I571 HydrophobicContact CE1-CD1 4.14Å; Y462-I571 HydrophobicContact CE1-CG2 4.04Å; Y462-I571 HydrophobicContact CE2-CD1 4.16Å; Y462-I571 HydrophobicContact CE2-CG1 4.47Å; Y462-I571 HydrophobicContact CE2-CG2 4.11Å; Y462-I571 HydrophobicContact CG-CD1 3.66Å; K548-I571 WeakPolarHBondContact CE-O 3.21Å; K548-I571 PolarHBondContact NZ-O 3.48Å; W560-I571 HydrophobicContact CZ3-CD1 4.01Å; W560-I571 HydrophobicContact CZ3-CG1 4.19Å; C561-I571 VanDerWaalsContact SG-CG1 3.54Å; I568-I571 PolarHBondContact O-N 2.89Å; I568-I571 VanDerWaalsContact O-N 3.12Å
572	F	96.5	Very high	95.9	Very high	2 Å²	2	61.4 Å²	61.4	1%	0.009	30%	0.301	C	S	.	.	S	Bend	trans	-104.3	126.4	-175.8	-65.1	-46.4	0	0	0	112	K548 P554 I568 E569 Q576 R577 F580	K548-F572 HydrophobicContact CD-CE1 4.4Å; K548-F572 HydrophobicContact CG-CE1 4Å; P554-F572 HydrophobicContact CB-CZ 4.3Å; I568-F572 HydrophobicContact CD1-CD2 3.59Å; I568-F572 HydrophobicContact CD1-CE2 3.94Å; I568-F572 HydrophobicContact CG1-CD2 3.95Å; I568-F572 PolarHBondContact O-N 3.27Å; E569-F572 WeakPolarHBondContact CA-O 2.87Å; F572-Q576 HydrophobicContact CB-CB 3.74Å; F572-Q576 HydrophobicContact CD1-CB 3.99Å; F572-Q576 HydrophobicContact CG-CB 4.15Å; F572-R577 HydrophobicContact CB-CG 3.59Å; F572-R577 WeakPolarHBondContact O-CG 3.46Å; F572-R577 PolarHBondContact O-NH1 2.97Å; F572-F580 HydrophobicContact CD1-CD2 4.17Å; F572-F580 HydrophobicContact CD1-CE2 4.37Å; F572-F580 AromaticContact CE1-CD2 3.96Å; F572-F580 HydrophobicContact CE1-CD2 3.96Å; F572-F580 AromaticContact CE1-CE2 3.98Å; F572-F580 HydrophobicContact CE1-CE2 3.98Å; F572-F580 HydrophobicContact CE2-CD2 4.33Å; F572-F580 HydrophobicContact CG-CD2 4.47Å; F572-F580 HydrophobicContact CZ-CD2 4.06Å; F572-F580 HydrophobicContact CZ-CE2 4.35Å
573	N	95.6	Very high	95.8	Very high	83 Å²	83	56.9 Å²	56.9	44%	0.444	28%	0.281	S	S	.	.			trans	-68	173.1	170.6	71.5	38.6	0	0	0	111.8	T575 Q576 R577	N573-T575 VanDerWaalsContact C-N 3.34Å; N573-T575 PolarHBondContact O-N 3.28Å; N573-T575 PolarHBondContact OD1-N 3.4Å; N573-T575 VanDerWaalsContact OD1-N 3.13Å; N573-Q576 WeakPolarHBondContact O-CB 3.38Å; N573-Q576 PolarHBondContact O-N 3.35Å; N573-Q576 VanDerWaalsContact O-N 3.09Å; N573-Q576 WeakPolarHBondContact OD1-CG 3.42Å; N573-Q576 PolarHBondContact OD1-N 2.89Å; N573-R577 WeakPolarHBondContact O-CG 3.05Å; N573-R577 PolarHBondContact O-N 2.96Å
574	K	94.6	Very high	95.7	Very high	162 Å²	162	53.4 Å²	53.4	70%	0.704	27%	0.269	S	S	*	.	H	α-helix	trans	-51.3	-49.3	-176.3	-175	177.8	178.7	179.1	0	112.8	Q576 R577 T578	K574-Q576 PolarHBondContact O-N 2.83Å; K574-R577 PolarHBondContact O-N 3.33Å; K574-T578 PolarHBondContact O-N 2.75Å; K574-T578 VanDerWaalsContact O-N 3.07Å; K574-T578 PolarHBondContact O-OG1 3.19Å; K574-T578 VanDerWaalsContact O-OG1 3.06Å
575	T	92.3	Very high	95.5	Very high	104 Å²	104	56.6 Å²	56.6	64%	0.638	28%	0.284	S	S	*	.	H	α-helix	trans	-65.1	-39.2	-179.1	-52.3	0	0	0	0	112.1	N573 T578 K579	N573-T575 VanDerWaalsContact C-N 3.34Å; N573-T575 PolarHBondContact O-N 3.28Å; N573-T575 PolarHBondContact OD1-N 3.4Å; N573-T575 VanDerWaalsContact OD1-N 3.13Å; T575-T578 PolarHBondContact O-N 2.91Å; T575-K579 PolarHBondContact O-N 3.1Å
576	Q	95.1	Very high	95.3	Very high	24 Å²	24	54.2 Å²	54.2	11%	0.112	27%	0.27	C	S	.	.	H	α-helix	trans	-65.7	-41.7	176.6	-73.6	168.4	-20.6	0	0	111.9	L549 F572 N573 K574 T578 K579 F580	L549-Q576 HydrophobicContact CD2-CG 3.65Å; F572-Q576 HydrophobicContact CB-CB 3.74Å; F572-Q576 HydrophobicContact CD1-CB 3.99Å; F572-Q576 HydrophobicContact CG-CB 4.15Å; N573-Q576 WeakPolarHBondContact O-CB 3.38Å; N573-Q576 PolarHBondContact O-N 3.35Å; N573-Q576 VanDerWaalsContact O-N 3.09Å; N573-Q576 WeakPolarHBondContact OD1-CG 3.42Å; N573-Q576 PolarHBondContact OD1-N 2.89Å; K574-Q576 PolarHBondContact O-N 2.83Å; Q576-T578 VanDerWaalsContact C-N 3.31Å; Q576-T578 PolarHBondContact O-N 2.96Å; Q576-K579 PolarHBondContact O-N 3.08Å; Q576-F580 HydrophobicContact CB-CD2 4.46Å; Q576-F580 WeakPolarHBondContact O-CB 3.46Å; Q576-F580 WeakPolarHBondContact O-CD2 3.42Å; Q576-F580 PolarHBondContact O-N 2.83Å
577	R	95.1	Very high	95.3	Very high	80 Å²	80	54.1 Å²	54.1	30%	0.302	27%	0.269	S	S	.	.	H	α-helix	trans	-63.5	-37	175	-66	-169.8	-53.2	-98.2	15.8	112.1	F572 N573 K574 L581	F572-R577 HydrophobicContact CB-CG 3.59Å; F572-R577 WeakPolarHBondContact O-CG 3.46Å; F572-R577 PolarHBondContact O-NH1 2.97Å; N573-R577 WeakPolarHBondContact O-CG 3.05Å; N573-R577 PolarHBondContact O-N 2.96Å; K574-R577 PolarHBondContact O-N 3.33Å; R577-L581 WeakPolarHBondContact O-CA 3.48Å; R577-L581 PolarHBondContact O-N 3.16Å
578	T	93.1	Very high	95.2	Very high	71 Å²	71	56 Å²	56	44%	0.436	28%	0.277	S	S	.	.	H	α-helix	trans	-67.2	-38.9	173.7	-50.6	0	0	0	0	111.9	S276 K574 T575 Q576	S276-T578 WeakPolarHBondContact CB-O 3.36Å; K574-T578 PolarHBondContact O-N 2.75Å; K574-T578 VanDerWaalsContact O-N 3.07Å; K574-T578 PolarHBondContact O-OG1 3.19Å; K574-T578 VanDerWaalsContact O-OG1 3.06Å; T575-T578 PolarHBondContact O-N 2.91Å; Q576-T578 VanDerWaalsContact C-N 3.31Å; Q576-T578 PolarHBondContact O-N 2.96Å
579	K	94.5	Very high	95.2	Very high	30 Å²	30	58.9 Å²	58.9	13%	0.13	29%	0.29	C	S	.	.	H	α-helix	trans	-64.5	-47.7	175	-178.6	-172.2	172.3	-169.2	0	112	P275 D284 L549 T575 Q576 L581	P275-K579 HydrophobicContact CB-CD 4Å; P275-K579 HydrophobicContact CB-CG 3.95Å; D284-K579 WeakPolarHBondContact OD2-CE 3.22Å; D284-K579 IonicContact OD2-NZ 2.81Å; D284-K579 PolarHBondContact OD2-NZ 2.99Å; D284-K579 VanDerWaalsContact OD2-NZ 3.16Å; L549-K579 PolarHBondContact O-NZ 2.92Å; T575-K579 PolarHBondContact O-N 3.1Å; Q576-K579 PolarHBondContact O-N 3.08Å; K579-L581 VanDerWaalsContact C-N 3.32Å
580	F	96.3	Very high	95.2	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	21.5	-172.2	-59.3	-47	0	0	0	113.5	L549 P554 F572 Q576 W582 A583 V584	L549-F580 HydrophobicContact CD2-CE2 4.39Å; P554-F580 HydrophobicContact CB-CB 3.87Å; P554-F580 HydrophobicContact CB-CD1 3.72Å; P554-F580 HydrophobicContact CB-CD2 4.01Å; P554-F580 HydrophobicContact CB-CE1 4.15Å; P554-F580 HydrophobicContact CB-CE2 4.43Å; P554-F580 HydrophobicContact CB-CG 3.62Å; P554-F580 HydrophobicContact CB-CZ 4.48Å; P554-F580 HydrophobicContact CG-CB 4.3Å; P554-F580 HydrophobicContact CG-CD1 3.6Å; P554-F580 HydrophobicContact CG-CE1 3.99Å; P554-F580 HydrophobicContact CG-CG 4.02Å; F572-F580 HydrophobicContact CD1-CD2 4.17Å; F572-F580 HydrophobicContact CD1-CE2 4.37Å; F572-F580 AromaticContact CE1-CD2 3.96Å; F572-F580 HydrophobicContact CE1-CD2 3.96Å; F572-F580 AromaticContact CE1-CE2 3.98Å; F572-F580 HydrophobicContact CE1-CE2 3.98Å; F572-F580 HydrophobicContact CE2-CD2 4.33Å; F572-F580 HydrophobicContact CG-CD2 4.47Å; F572-F580 HydrophobicContact CZ-CD2 4.06Å; F572-F580 HydrophobicContact CZ-CE2 4.35Å; Q576-F580 HydrophobicContact CB-CD2 4.46Å; Q576-F580 WeakPolarHBondContact O-CB 3.46Å; Q576-F580 WeakPolarHBondContact O-CD2 3.42Å; Q576-F580 PolarHBondContact O-N 2.83Å; F580-W582 PolarHBondContact O-N 3.35Å; F580-A583 WeakPolarHBondContact O-CB 3.37Å; F580-A583 PolarHBondContact O-N 3.14Å; F580-V584 PolarHBondContact O-N 3.11Å
581	L	95.1	Very high	95.4	Very high	29 Å²	29	54.9 Å²	54.9	15%	0.152	28%	0.275	C	S	.	.	H	α-helix	trans	-56.3	-42.2	-179	179.5	69.4	0	0	0	112	Q46 W50 R577 K579 A583 V584 H585	Q46-L581 HydrophobicContact CG-CD2 3.66Å; W50-L581 HydrophobicContact CH2-CB 4.39Å; W50-L581 HydrophobicContact CH2-CD2 3.48Å; W50-L581 VanDerWaalsContact CH2-CD2 3.48Å; W50-L581 HydrophobicContact CH2-CG 3.58Å; W50-L581 HydrophobicContact CZ2-CG 4.46Å; W50-L581 HydrophobicContact CZ3-CB 4.46Å; W50-L581 HydrophobicContact CZ3-CD2 3.91Å; W50-L581 HydrophobicContact CZ3-CG 4.09Å; R577-L581 WeakPolarHBondContact O-CA 3.48Å; R577-L581 PolarHBondContact O-N 3.16Å; K579-L581 VanDerWaalsContact C-N 3.32Å; L581-A583 PolarHBondContact O-N 2.93Å; L581-V584 WeakPolarHBondContact O-CB 3.46Å; L581-V584 PolarHBondContact O-N 3.24Å; L581-V584 VanDerWaalsContact O-N 3.08Å; L581-H585 PolarHBondContact O-CD2 3.42Å; L581-H585 PolarHBondContact O-N 3.18Å
582	W	95.4	Very high	95.3	Very high	2 Å²	2	60.3 Å²	60.3	1%	0.008	30%	0.295	C	S	.	.	H	α-helix	trans	-53	-43	175.1	65.9	-93	0	0	0	112	W49 W50 H285 Y288 P554 R555 F580 V584 H585 M586	W49-W582 HydrophobicContact CH2-CB 3.78Å; W49-W582 HydrophobicContact CH2-CD2 4.31Å; W49-W582 AromaticContact CH2-CG 3.76Å; W49-W582 HydrophobicContact CH2-CG 3.76Å; W49-W582 HydrophobicContact CZ2-CB 3.49Å; W49-W582 VanDerWaalsContact CZ2-CB 3.49Å; W49-W582 AromaticContact CZ2-CD1 3.54Å; W49-W582 AromaticContact CZ2-CG 3.58Å; W49-W582 HydrophobicContact CZ2-CG 3.58Å; W50-W582 HydrophobicContact CB-CB 4.3Å; W50-W582 HydrophobicContact CD2-CB 3.78Å; W50-W582 HydrophobicContact CE3-CB 3.37Å; W50-W582 HydrophobicContact CG-CB 4.19Å; W50-W582 HydrophobicContact CZ3-CB 3.99Å; H285-W582 HydrophobicContact CB-CH2 4.26Å; H285-W582 HydrophobicContact CB-CZ2 4.35Å; H285-W582 HydrophobicContact CB-CZ3 4.35Å; H285-W582 AromaticContact CD2-CE3 3.54Å; H285-W582 AromaticContact CD2-CH2 3.97Å; H285-W582 AromaticContact CD2-CZ3 3.31Å; H285-W582 WeakPolarHBondContact CD2-CZ3 3.46Å; Y288-W582 HydrophobicContact CD2-CH2 4.1Å; Y288-W582 HydrophobicContact CD2-CZ2 4.13Å; Y288-W582 HydrophobicContact CE2-CZ2 4.39Å; P554-W582 HydrophobicContact CG-CH2 3.91Å; P554-W582 HydrophobicContact CG-CZ2 3.61Å; R555-W582 HydrophobicContact CG-CH2 4.39Å; R555-W582 HydrophobicContact CG-CZ3 3.94Å; F580-W582 PolarHBondContact O-N 3.35Å; W582-V584 PolarHBondContact O-N 3.29Å; W582-H585 PolarHBondContact O-N 2.87Å; W582-M586 HydrophobicContact CE3-SD 3.95Å; W582-M586 VanDerWaalsContact O-CB 3.3Å; W582-M586 WeakPolarHBondContact O-CB 3.31Å; W582-M586 WeakPolarHBondContact O-CG 3.46Å; W582-M586 PolarHBondContact O-N 2.92Å
583	A	96.8	Very high	95.3	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-69.8	-34.7	-179.8	0	0	0	0	0	112.5	P554 R555 V558 F580 L581 H585 A587	P554-A583 HydrophobicContact CB-CB 3.85Å; P554-A583 HydrophobicContact CG-CB 3.61Å; R555-A583 HydrophobicContact CG-CB 3.65Å; V558-A583 HydrophobicContact CG2-CB 4.42Å; F580-A583 WeakPolarHBondContact O-CB 3.37Å; F580-A583 PolarHBondContact O-N 3.14Å; L581-A583 PolarHBondContact O-N 2.93Å; A583-H585 VanDerWaalsContact C-N 3.29Å; A583-H585 PolarHBondContact O-N 3.32Å; A583-A587 WeakPolarHBondContact O-CB 3.17Å; A583-A587 PolarHBondContact O-N 2.87Å; A583-A587 VanDerWaalsContact O-N 3.1Å
584	V	95.3	Very high	95.3	Very high	42 Å²	42	59.9 Å²	59.9	26%	0.255	29%	0.291	S	S	.	.	H	α-helix	trans	-63.1	-38.3	176.7	176.4	0	0	0	0	111.3	V558 K562 F580 L581 W582	V558-V584 HydrophobicContact CG2-CG2 3.91Å; K562-V584 PolarHBondContact NZ-O 3.23Å; F580-V584 PolarHBondContact O-N 3.11Å; L581-V584 WeakPolarHBondContact O-CB 3.46Å; L581-V584 PolarHBondContact O-N 3.24Å; L581-V584 VanDerWaalsContact O-N 3.08Å; W582-V584 PolarHBondContact O-N 3.29Å
585	H	93.4	Very high	95.4	Very high	90 Å²	90	54.5 Å²	54.5	42%	0.417	27%	0.269	S	S	.	.	H	α-helix	trans	-80.1	-37.9	178.5	-78.7	-85.9	0	0	0	113	W50 L581 W582 A583	W50-H585 HydrophobicContact CZ2-CB 3.95Å; W50-H585 AromaticContact CZ2-CD2 3.61Å; W50-H585 AromaticContact CZ2-CG 3.76Å; L581-H585 PolarHBondContact O-CD2 3.42Å; L581-H585 PolarHBondContact O-N 3.18Å; W582-H585 PolarHBondContact O-N 2.87Å; A583-H585 VanDerWaalsContact C-N 3.29Å; A583-H585 PolarHBondContact O-N 3.32Å
586	M	92.6	Very high	95.5	Very high	89 Å²	89	51.8 Å²	51.8	44%	0.438	25%	0.249	S	C	.	.	H	α-helix	trans	-84.2	-26.5	-172.8	-70.1	-179.5	122.2	0	0	115.2	W50 W582	W50-M586 HydrophobicContact CB-CE 3.76Å; W50-M586 HydrophobicContact CB-SD 3.84Å; W50-M586 HydrophobicContact CG-CE 4.33Å; W50-M586 HydrophobicContact CG-CG 4.31Å; W50-M586 HydrophobicContact CG-SD 4.17Å; W582-M586 HydrophobicContact CE3-SD 3.95Å; W582-M586 VanDerWaalsContact O-CB 3.3Å; W582-M586 WeakPolarHBondContact O-CB 3.31Å; W582-M586 WeakPolarHBondContact O-CG 3.46Å; W582-M586 PolarHBondContact O-N 2.92Å
587	A	96	Very high	95.6	Very high	3 Å²	3	53.4 Å²	53.4	3%	0.025	26%	0.257	C	S	.	.			trans	-101	130.7	-175.8	0	0	0	0	0	112	R555 V558 K562 A583 Y591	R555-A587 HydrophobicContact CB-CB 3.69Å; R555-A587 HydrophobicContact CG-CB 3.8Å; V558-A587 HydrophobicContact CB-CB 4.4Å; V558-A587 HydrophobicContact CG1-CB 4.1Å; K562-A587 WeakPolarHBondContact CE-O 3.31Å; K562-A587 PolarHBondContact NZ-O 3.48Å; A583-A587 WeakPolarHBondContact O-CB 3.17Å; A583-A587 PolarHBondContact O-N 2.87Å; A583-A587 VanDerWaalsContact O-N 3.1Å; A587-Y591 HydrophobicContact CB-CD2 4.41Å; A587-Y591 HydrophobicContact CB-CG 4.17Å
588	D	96.3	Very high	95.6	Very high	88 Å²	88	51.8 Å²	51.8	47%	0.471	25%	0.254	S	S	.	.			trans	-89.4	-175.2	166	62.5	28.2	0	0	0	111.3	A559 N590 Y591	A559-D588 VanDerWaalsContact CA-O 3.31Å; A559-D588 WeakPolarHBondContact CA-O 3.49Å; A559-D588 WeakPolarHBondContact CB-O 3.28Å; D588-N590 PolarHBondContact O-N 2.87Å; D588-N590 WeakPolarHBondContact OD1-CA 3.34Å; D588-N590 WeakPolarHBondContact OD1-CB 3.41Å; D588-N590 PolarHBondContact OD1-N 3.23Å; D588-Y591 PolarHBondContact OD1-N 2.84Å
589	E	96.7	Very high	95.7	Very high	100 Å²	100	50.5 Å²	50.5	47%	0.467	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-15.7	177.5	63.2	-169.3	-154.5	0	0	114.5	K562 K563	K562-E589 HydrophobicContact CB-CB 3.84Å; K563-E589 HydrophobicContact CB-CB 4.17Å
590	N	97.3	Very high	95.8	Very high	117 Å²	117	51.9 Å²	51.9	63%	0.626	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-4.1	-176.5	-64.8	-46.8	0	0	0	112.8	D588 R592	D588-N590 PolarHBondContact O-N 2.87Å; D588-N590 WeakPolarHBondContact OD1-CA 3.34Å; D588-N590 WeakPolarHBondContact OD1-CB 3.41Å; D588-N590 PolarHBondContact OD1-N 3.23Å; N590-R592 PolarHBondContact O-N 3.23Å
591	Y	97.9	Very high	95.8	Very high	28 Å²	28	55.9 Å²	55.9	11%	0.11	27%	0.269	C	S	.	.			trans	-53.3	129.8	177.6	173.4	-88.5	0	0	0	111.7	R292 D553 R555 I556 A559 A587 D588 F593	R292-Y591 WeakPolarHBondContact CD-OH 3.5Å; D553-Y591 PolarHBondContact OD2-OH 2.88Å; R555-Y591 HydrophobicContact CB-CD1 3.64Å; R555-Y591 HydrophobicContact CB-CD2 4.14Å; R555-Y591 HydrophobicContact CB-CE1 3.37Å; R555-Y591 HydrophobicContact CB-CE2 3.91Å; R555-Y591 HydrophobicContact CB-CG 4.02Å; R555-Y591 HydrophobicContact CG-CE2 4.43Å; R555-Y591 VanDerWaalsContact CZ-OH 3.25Å; R555-Y591 PolarHBondContact NE-OH 2.91Å; R555-Y591 VanDerWaalsContact NE-OH 3.17Å; R555-Y591 PolarHBondContact NH2-OH 2.8Å; I556-Y591 HydrophobicContact CG1-CE1 4.01Å; A559-Y591 HydrophobicContact CB-CD1 4.42Å; A587-Y591 HydrophobicContact CB-CD2 4.41Å; A587-Y591 HydrophobicContact CB-CG 4.17Å; D588-Y591 PolarHBondContact OD1-N 2.84Å; Y591-F593 HydrophobicContact CE1-CB 4.2Å
592	R	96.5	Very high	95.9	Very high	122 Å²	122	58.2 Å²	58.2	46%	0.46	28%	0.279	S	S	.	.			trans	-124	130.4	171.1	-64.2	-60.6	-155.2	162.3	9.6	109.4	R292 D446 N590	R292-R592 PolarHBondContact NH2-O 2.86Å; D446-R592 IonicContact OD1-CZ 3.37Å; D446-R592 IonicContact OD1-NH1 2.79Å; D446-R592 PolarHBondContact OD1-NH1 3.02Å; D446-R592 IonicContact OD1-NH2 2.7Å; D446-R592 IonicContact OD2-CZ 2.8Å; D446-R592 IonicContact OD2-NH1 4Å; D446-R592 PolarHBondContact OD2-NH1 3.29Å; D446-R592 IonicContact OD2-NH2 3.16Å; N590-R592 PolarHBondContact O-N 3.23Å
593	F	96.1	Very high	95.9	Very high	17 Å²	17	63.3 Å²	63.3	8%	0.075	30%	0.304	C	S	.	.			trans	-71.4	0	171	178.2	-91.8	0	0	0	110.1	A291 R292 Y435 K439 D553 I556 Y591	A291-F593 HydrophobicContact CB-CE2 4.27Å; A291-F593 HydrophobicContact CB-CZ 3.74Å; R292-F593 HydrophobicContact CG-CD2 3.45Å; R292-F593 VanDerWaalsContact CG-CD2 3.45Å; R292-F593 HydrophobicContact CG-CE2 3.35Å; R292-F593 HydrophobicContact CG-CG 4.11Å; R292-F593 HydrophobicContact CG-CZ 3.93Å; R292-F593 PolarHBondContact NE-O 3.19Å; Y435-F593 AromaticContact CD2-CE1 3.9Å; Y435-F593 HydrophobicContact CD2-CE1 3.9Å; Y435-F593 HydrophobicContact CD2-CZ 4.39Å; Y435-F593 HydrophobicContact CE2-CE1 4.32Å; K439-F593 HydrophobicContact CD-CD1 4.39Å; D553-F593 HydrophobicContact CB-CD2 3.79Å; D553-F593 HydrophobicContact CB-CE2 4.11Å; D553-F593 WeakPolarHBondContact OD2-CD2 3.32Å; I556-F593 HydrophobicContact CD1-CB 3.7Å; I556-F593 HydrophobicContact CD1-CD2 4.37Å; I556-F593 HydrophobicContact CD1-CG 4.05Å; I556-F593 HydrophobicContact CG1-CB 3.82Å; Y591-F593 HydrophobicContact CE1-CB 4.2Å

Retrieved 593 of 593 residues in 142.1 ms (Link to these results)

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