A0A087X6V3_POEFO Loading...

Glutaryl-CoA dehydrogenase, mitochondrial

AlphaFold DB , UniProt , Accession A0A087X6V3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 441 aa.

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(Predicted Aligned Error values between residue pairs)

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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	38.7	Very low	31.2	Very low	239 Å²	239	161 Å²	161	100%	1.177	85%	0.852	S	S	*	*				0	108.2	0	-64.6	157.4	177.5	0	0	106
2	A	30	Very low	31.1	Very low	92 Å²	92	158.8 Å²	158.8	76%	0.76	85%	0.849	S	S	*	*			cis	76.7	143.8	24.2	0	0	0	0	0	114.9
3	L	30.2	Very low	31	Very low	170 Å²	170	157.9 Å²	157.9	89%	0.89	84%	0.844	S	S	*	*			trans	79.4	115.9	-163.4	-57	160.5	0	0	0	112.3
4	R	31.8	Very low	32.6	Very low	242 Å²	242	153.1 Å²	153.1	91%	0.913	83%	0.826	S	S	*	*			cis	71.4	117.3	25.7	-66.9	-170.8	169.2	-167	-1.1	117.3
5	S	31.1	Very low	32.5	Very low	120 Å²	120	155.6 Å²	155.6	84%	0.839	83%	0.83	S	S	*	*			trans	-158	154.5	135.1	61.3	0	0	0	0	110.4
6	T	34.6	Very low	32.4	Very low	129 Å²	129	160.4 Å²	160.4	79%	0.791	83%	0.833	S	S	*	*			trans	-156.1	134.7	-169.3	-51.4	0	0	0	0	113.1
7	V	32.2	Very low	32.2	Very low	139 Å²	139	158.6 Å²	158.6	84%	0.842	84%	0.835	S	S	*	*			trans	-153.3	130.6	162	-176	0	0	0	0	107.5
8	C	29	Very low	32.2	Very low	98 Å²	98	154.5 Å²	154.5	66%	0.662	83%	0.828	S	S	*	*			cis	96.9	77.2	-0.1	-152.7	0	0	0	0	119.2
9	R	28	Very low	32	Very low	236 Å²	236	155.8 Å²	155.8	89%	0.891	83%	0.826	S	S	*	*			trans	-177.6	153.4	147	-97.8	158.7	-173.2	-160.2	1.1	108.9
10	L	28.8	Very low	31.8	Very low	148 Å²	148	156.9 Å²	156.9	78%	0.775	82%	0.823	S	S	*	*			cis	138.3	153.4	-15.6	-96.7	169.8	0	0	0	110.5
11	L	29	Very low	31.8	Very low	158 Å²	158	154.7 Å²	154.7	83%	0.827	82%	0.821	S	S	*	*			trans	85.3	145.6	175.1	-52.7	177.3	0	0	0	117.1
12	V	29.8	Very low	31.5	Very low	135 Å²	135	148.3 Å²	148.3	82%	0.818	81%	0.806	S	S	*	*			cis	-164.2	163.3	-37.4	115.6	0	0	0	0	109.8
13	N	29.4	Very low	31.7	Very low	147 Å²	147	149.3 Å²	149.3	79%	0.786	81%	0.807	S	S	*	*			trans	-76.3	-171.9	179.3	-129.6	-9	0	0	0	112.5
14	P	54	Low	31.8	Very low	91 Å²	91	153.2 Å²	153.2	59%	0.591	81%	0.81	S	S	*	*			cis	-133.6	-164.2	-22.7	41.8	-24.6	0	0	0	112.5
15	H	30.4	Very low	31.9	Very low	190 Å²	190	145.7 Å²	145.7	88%	0.88	80%	0.8	S	S	*	*			trans	-159.4	157.1	130.7	-106.6	-72.9	0	0	0	112.4
16	R	31.7	Very low	32.1	Very low	233 Å²	233	149.4 Å²	149.4	88%	0.879	80%	0.804	S	S	*	*			trans	-110.5	153.6	178.7	-66	173.5	168.5	-179.3	-5	110.7
17	C	28.8	Very low	31.9	Very low	129 Å²	129	147 Å²	147	87%	0.872	81%	0.805	S	S	*	*				-168.1	141.6	118.2	-112.1	0	0	0	0	113
18	A	32.6	Very low	32.5	Very low	85 Å²	85	147.3 Å²	147.3	70%	0.702	81%	0.807	S	S	*	*			trans	-107.9	170.4	147.9	0	0	0	0	0	106.9
19	F	28.6	Very low	32.8	Very low	180 Å²	180	147.5 Å²	147.5	79%	0.789	82%	0.815	S	S	*	*			trans	-175.2	124.1	136.7	-119.6	-120.7	0	0	0	112.7
20	F	28.3	Very low	33.2	Very low	177 Å²	177	140.3 Å²	140.3	78%	0.776	81%	0.807	S	S	*	*			trans	69.9	164.4	139.7	-85.4	-111.3	0	0	0	122.6
21	S	31.1	Very low	34.1	Very low	111 Å²	111	138.6 Å²	138.6	78%	0.776	81%	0.814	S	S	*	*			trans	-118.1	164.1	-163.6	54.8	0	0	0	0	112.5
22	A	31.4	Very low	34.5	Very low	105 Å²	105	136.8 Å²	136.8	87%	0.868	81%	0.809	S	S	*	*			trans	-140.9	142.3	157.3	0	0	0	0	0	109.9
23	S	34.7	Very low	35.4	Very low	112 Å²	112	141.6 Å²	141.6	78%	0.783	81%	0.813	S	S	*	*			trans	-105	149.6	178.8	175.8	0	0	0	0	110.8
24	R	32.7	Very low	36	Very low	253 Å²	253	140.2 Å²	140.2	96%	0.955	81%	0.812	S	S	*	*			trans	-141.8	155.3	152.3	-108.8	-178	-177.9	-160.7	-1.1	109.9
25	A	33.8	Very low	35.3	Very low	84 Å²	84	143 Å²	143	69%	0.694	82%	0.822	S	S	*	*			trans	-130.9	173.9	-151.9	0	0	0	0	0	113.9
26	Q	35.3	Very low	35.9	Very low	198 Å²	198	138.6 Å²	138.6	93%	0.925	82%	0.818	S	S	*	*			trans	74	125.4	165.1	-64.6	177.3	-19.2	0	0	117.6
27	G	30.6	Very low	36.4	Very low	78 Å²	78	136.2 Å²	136.2	80%	0.804	82%	0.817	S	S	*	*			trans	-173.1	87.3	171.9	0	0	0	0	0	108.3
28	T	44	Very low	37.2	Very low	146 Å²	146	139.5 Å²	139.5	90%	0.896	82%	0.816	S	S	*	*			trans	-83.3	119.8	-176.8	46.8	0	0	0	0	111.2
29	A	35.4	Very low	37.9	Very low	101 Å²	101	139.5 Å²	139.5	84%	0.835	81%	0.811	S	S	*	*			trans	-147	153.8	170	0	0	0	0	0	112.1
30	A	36.3	Very low	39	Very low	86 Å²	86	136.3 Å²	136.3	71%	0.711	80%	0.803	S	S	*	*			trans	-24.4	137.4	-177.9	0	0	0	0	0	118.8	T32	A30-T32 PolarHBondContact O-N 3.43Å; A30-T32 VanDerWaalsContact O-N 3.1Å
31	A	47.8	Very low	40.3	Very low	112 Å²	112	136.2 Å²	136.2	93%	0.926	80%	0.804	S	S	*	*			trans	-76.5	87.9	163.3	0	0	0	0	0	111
32	T	37.7	Very low	41.7	Very low	119 Å²	119	140.5 Å²	140.5	73%	0.73	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-93.4	134.1	158.3	43	0	0	0	0	109.3	A30 P34	A30-T32 PolarHBondContact O-N 3.43Å; A30-T32 VanDerWaalsContact O-N 3.1Å; T32-P34 WeakPolarHBondContact O-CD 3.35Å
33	R	48.2	Very low	43.3	Very low	237 Å²	237	140 Å²	140	89%	0.894	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-79.4	120.3	161.3	-67.9	178.7	179.7	172.2	-0.7	107
34	P	42.1	Very low	44.8	Very low	117 Å²	117	145.7 Å²	145.7	76%	0.76	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-67.5	131.5	147	2.7	15	0	0	0	106.4	T32 A36	T32-P34 WeakPolarHBondContact O-CD 3.35Å; P34-A36 PolarHBondContact O-N 2.97Å
35	D	39.7	Very low	46.5	Very low	150 Å²	150	139.1 Å²	139.1	80%	0.802	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-57.5	140.9	160.6	-78.3	-62.5	0	0	0	108.5	E37	D35-E37 PolarHBondContact O-N 3.09Å
36	A	43.4	Very low	48.6	Very low	97 Å²	97	140.8 Å²	140.8	80%	0.802	80%	0.798	S	S	*	*			trans	-70.8	86.7	174.5	0	0	0	0	0	108.2	P34 K38	P34-A36 PolarHBondContact O-N 2.97Å; A36-K38 VanDerWaalsContact C-N 3.34Å; A36-K38 PolarHBondContact O-N 3.26Å
37	E	42.5	Very low	50.9	Low	183 Å²	183	140.7 Å²	140.7	86%	0.855	79%	0.794	S	S	*	*			trans	-50.4	104.3	163.6	-76	-165.3	142.4	0	0	107.2	D35 S39	D35-E37 PolarHBondContact O-N 3.09Å; E37-S39 PolarHBondContact O-N 2.88Å
38	K	45.8	Very low	53.6	Low	198 Å²	198	143.4 Å²	143.4	86%	0.861	80%	0.795	S	S	*	*			trans	-63	94.1	163.1	-72.5	-179.6	179.3	177.1	0	104.9	A36 D40	A36-K38 VanDerWaalsContact C-N 3.34Å; A36-K38 PolarHBondContact O-N 3.26Å; K38-D40 PolarHBondContact O-N 3.24Å
39	S	46.5	Very low	55.9	Low	85 Å²	85	145 Å²	145	59%	0.594	79%	0.792	S	S	*	*			trans	-50.7	109.5	172.6	63.5	0	0	0	0	106.5	E37 Q41	E37-S39 PolarHBondContact O-N 2.88Å; S39-Q41 PolarHBondContact O-N 3.39Å
40	D	50.6	Low	58.8	Low	114 Å²	114	147 Å²	147	61%	0.61	78%	0.782	S	S	*	*			trans	-61.4	92.8	175.7	177.1	23	0	0	0	106.1	K38 R42	K38-D40 PolarHBondContact O-N 3.24Å; D40-R42 HydrophobicContact CB-CG 4.47Å; D40-R42 VanDerWaalsContact CG-CG 3.5Å; D40-R42 PolarHBondContact O-N 2.87Å; D40-R42 WeakPolarHBondContact OD2-CG 3.33Å; D40-R42 IonicContact OD2-CZ 2.68Å; D40-R42 IonicContact OD2-NE 3.94Å; D40-R42 PolarHBondContact OD2-NE 3.26Å; D40-R42 IonicContact OD2-NH2 2.85Å
41	Q	56.2	Low	61.7	Low	174 Å²	174	145.7 Å²	145.7	81%	0.813	76%	0.763	S	S	*	*			trans	-74.1	65.9	176.3	-71.2	-166.6	10.3	0	0	107.4	S39 A43	S39-Q41 PolarHBondContact O-N 3.39Å; Q41-A43 PolarHBondContact O-N 3.09Å
42	R	60.6	Low	64.1	Low	201 Å²	201	143.7 Å²	143.7	76%	0.758	73%	0.732	S	S	*	*			trans	-47.9	107.7	168	-67	-172.7	175.2	-166.5	-5.6	106.3	D40 R44	D40-R42 HydrophobicContact CB-CG 4.47Å; D40-R42 VanDerWaalsContact CG-CG 3.5Å; D40-R42 PolarHBondContact O-N 2.87Å; D40-R42 WeakPolarHBondContact OD2-CG 3.33Å; D40-R42 IonicContact OD2-CZ 2.68Å; D40-R42 IonicContact OD2-NE 3.94Å; D40-R42 PolarHBondContact OD2-NE 3.26Å; D40-R42 IonicContact OD2-NH2 2.85Å; R42-R44 PolarHBondContact O-N 2.87Å
43	A	64.6	Low	66.9	Low	94 Å²	94	145.3 Å²	145.3	78%	0.777	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-51.5	119.2	-178.5	0	0	0	0	0	106.9	Q41 P45	Q41-A43 PolarHBondContact O-N 3.09Å; A43-P45 VanDerWaalsContact O-N 3.14Å
44	R	65.8	Low	69.2	Low	232 Å²	232	136 Å²	136	88%	0.875	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-53.4	127.5	-178.8	-76.9	-177.1	173.5	177.4	-2.1	106.9	R42	R42-R44 PolarHBondContact O-N 2.87Å
45	P	70.3	Confident	71.8	Confident	115 Å²	115	131.4 Å²	131.4	75%	0.747	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-54.1	139.2	-177	21.8	-32.8	0	0	0	108.8	A43 K47	A43-P45 VanDerWaalsContact O-N 3.14Å; P45-K47 PolarHBondContact O-N 2.91Å
46	P	76.1	Confident	74.6	Confident	119 Å²	119	129 Å²	129	77%	0.773	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-54.5	129.3	-173.7	21.9	-33	0	0	0	109.4	V48	P46-V48 PolarHBondContact O-N 3.49Å
47	K	83.8	Confident	77.2	Confident	196 Å²	196	129 Å²	129	85%	0.852	64%	0.638	S	S	*	*			trans	-67.6	101.7	-175.9	-176.1	-176.5	176	-174.4	0	109	P45 Q49	P45-K47 PolarHBondContact O-N 2.91Å; K47-Q49 PolarHBondContact O-N 3.47Å
48	V	88.3	Confident	79.8	Confident	135 Å²	135	120.5 Å²	120.5	82%	0.818	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-50.5	129.7	172.8	-176.9	0	0	0	0	109	P46	P46-V48 PolarHBondContact O-N 3.49Å
49	Q	92.6	Very high	82.3	Confident	180 Å²	180	114.7 Å²	114.7	84%	0.841	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-94.7	143.6	175.4	-59.4	-169	27.9	0	0	109	K47	K47-Q49 PolarHBondContact O-N 3.47Å
50	F	96.2	Very high	84.8	Confident	142 Å²	142	113.5 Å²	113.5	62%	0.623	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-90.9	116.3	178.8	177.8	-99.7	0	0	0	109.7	W52 A55 L343	F50-W52 HydrophobicContact CE1-CB 4.1Å; F50-A55 HydrophobicContact CE2-CB 3.54Å; F50-A55 HydrophobicContact CZ-CB 3.49Å; F50-A55 VanDerWaalsContact CZ-CB 3.49Å; F50-L343 HydrophobicContact CE1-CD2 4.34Å; F50-L343 HydrophobicContact CZ-CD2 4.16Å
51	D	97.4	Very high	87	Confident	60 Å²	60	111.5 Å²	111.5	32%	0.321	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-89.1	121.2	166.3	-159.4	-31.8	0	0	0	109.8	R53 D54 A55	D51-R53 PolarHBondContact O-N 3.4Å; D51-R53 VanDerWaalsContact OD1-CB 3.31Å; D51-R53 WeakPolarHBondContact OD1-CB 3.27Å; D51-R53 WeakPolarHBondContact OD1-CG 3.41Å; D51-R53 IonicContact OD1-CZ 3.95Å; D51-R53 PolarHBondContact OD1-N 2.69Å; D51-R53 IonicContact OD1-NE 3.44Å; D51-R53 PolarHBondContact OD1-NE 3.23Å; D51-R53 IonicContact OD1-NH2 3.55Å; D51-R53 IonicContact OD2-CZ 2.7Å; D51-R53 VanDerWaalsContact OD2-CZ 3.31Å; D51-R53 IonicContact OD2-NE 3.7Å; D51-R53 PolarHBondContact OD2-NE 3.16Å; D51-R53 IonicContact OD2-NH2 3.56Å; D51-R53 PolarHBondContact OD2-NH2 3.32Å; D51-D54 CarbonylContact O-C 3.56Å; D51-D54 VanDerWaalsContact O-C 3.29Å; D51-D54 PolarHBondContact O-N 2.69Å; D51-A55 WeakPolarHBondContact O-CA 3.37Å; D51-A55 PolarHBondContact O-N 2.99Å
52	W	97.3	Very high	89.1	Confident	70 Å²	70	104.1 Å²	104.1	27%	0.265	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-9.7	177.4	65	-86.7	0	0	0	112.9	F50 F311 H312 R315 L343	F50-W52 HydrophobicContact CE1-CB 4.1Å; W52-F311 AromaticContact CE3-CE1 3.75Å; W52-F311 HydrophobicContact CE3-CE1 3.75Å; W52-F311 AromaticContact CE3-CZ 3.81Å; W52-F311 HydrophobicContact CE3-CZ 3.81Å; W52-F311 AromaticContact CZ3-CE1 3.78Å; W52-F311 HydrophobicContact CZ3-CE1 3.78Å; W52-F311 HydrophobicContact CZ3-CZ 4.05Å; W52-H312 AromaticContact CZ3-CD2 3.65Å; W52-H312 AromaticContact CZ3-NE2 3.71Å; W52-R315 VanDerWaalsContact CH2-CD 3.46Å; W52-L343 HydrophobicContact CB-CD2 4.37Å; W52-L343 WeakPolarHBondContact O-CD1 3.28Å
53	R	95.9	Very high	90.9	Very high	152 Å²	152	97.5 Å²	97.5	57%	0.574	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-20	175.5	-61.2	168.6	-69.2	179.7	5.7	112.9	D51	D51-R53 PolarHBondContact O-N 3.4Å; D51-R53 VanDerWaalsContact OD1-CB 3.31Å; D51-R53 WeakPolarHBondContact OD1-CB 3.27Å; D51-R53 WeakPolarHBondContact OD1-CG 3.41Å; D51-R53 IonicContact OD1-CZ 3.95Å; D51-R53 PolarHBondContact OD1-N 2.69Å; D51-R53 IonicContact OD1-NE 3.44Å; D51-R53 PolarHBondContact OD1-NE 3.23Å; D51-R53 IonicContact OD1-NH2 3.55Å; D51-R53 IonicContact OD2-CZ 2.7Å; D51-R53 VanDerWaalsContact OD2-CZ 3.31Å; D51-R53 IonicContact OD2-NE 3.7Å; D51-R53 PolarHBondContact OD2-NE 3.16Å; D51-R53 IonicContact OD2-NH2 3.56Å; D51-R53 PolarHBondContact OD2-NH2 3.32Å
54	D	97.3	Very high	92.5	Very high	43 Å²	43	101.3 Å²	101.3	23%	0.23	51%	0.512	C	S	.	.	S	Bend	trans	-147.9	74	175.4	-169	3.7	0	0	0	110.8	D51 L56 D57 L58 E59	D51-D54 CarbonylContact O-C 3.56Å; D51-D54 VanDerWaalsContact O-C 3.29Å; D51-D54 PolarHBondContact O-N 2.69Å; D54-L56 PolarHBondContact O-N 3.25Å; D54-L56 VanDerWaalsContact O-N 3.08Å; D54-D57 PolarHBondContact O-N 3Å; D54-D57 PolarHBondContact OD1-N 3.17Å; D54-L58 WeakPolarHBondContact OD1-CB 3.26Å; D54-L58 PolarHBondContact OD1-N 3.05Å; D54-L58 WeakPolarHBondContact OD2-CA 3.31Å; D54-L58 WeakPolarHBondContact OD2-CB 3.48Å; D54-L58 PolarHBondContact OD2-N 3.03Å; D54-E59 PolarHBondContact OD2-N 3.22Å
55	A	97.3	Very high	94	Very high	20 Å²	20	95.5 Å²	95.5	17%	0.165	50%	0.495	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-7.8	-167.8	0	0	0	0	0	115.6	F50 D51 L343 T347	F50-A55 HydrophobicContact CE2-CB 3.54Å; F50-A55 HydrophobicContact CZ-CB 3.49Å; F50-A55 VanDerWaalsContact CZ-CB 3.49Å; D51-A55 WeakPolarHBondContact O-CA 3.37Å; D51-A55 PolarHBondContact O-N 2.99Å; A55-L343 HydrophobicContact CB-CD1 4.12Å; A55-L343 HydrophobicContact CB-CG 4.45Å; A55-T347 HydrophobicContact CB-CG2 4.06Å
56	L	98.1	Very high	95.3	Very high	100 Å²	100	90.3 Å²	90.3	52%	0.524	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.3	22.4	176.8	-74.8	-177.1	0	0	0	113.4	D54 T347 Q351	D54-L56 PolarHBondContact O-N 3.25Å; D54-L56 VanDerWaalsContact O-N 3.08Å; L56-T347 HydrophobicContact CB-CG2 3.88Å; L56-T347 HydrophobicContact CD1-CG2 3.65Å; L56-T347 HydrophobicContact CG-CG2 3.6Å; L56-Q351 HydrophobicContact CB-CG 4.18Å; L56-Q351 HydrophobicContact CD1-CG 4.02Å
57	D	97.4	Very high	96.4	Very high	96 Å²	96	86.8 Å²	86.8	51%	0.513	43%	0.434	S	S	.	.			trans	53.9	57.4	176	-168.2	18.5	0	0	0	112.9	D54 E59 G60 Q61	D54-D57 PolarHBondContact O-N 3Å; D54-D57 PolarHBondContact OD1-N 3.17Å; D57-E59 PolarHBondContact O-N 3.43Å; D57-G60 PolarHBondContact OD1-N 2.83Å; D57-Q61 VanDerWaalsContact O-CG 3.28Å; D57-Q61 WeakPolarHBondContact O-CG 3.43Å
58	L	98.4	Very high	97	Very high	4 Å²	4	83 Å²	83	2%	0.021	42%	0.423	C	S	.	.	S	Bend	trans	-57.8	-37.2	165.8	178.3	64.2	0	0	0	110.7	D54 G60 Q61 L62 L350 L354	D54-L58 WeakPolarHBondContact OD1-CB 3.26Å; D54-L58 PolarHBondContact OD1-N 3.05Å; D54-L58 WeakPolarHBondContact OD2-CA 3.31Å; D54-L58 WeakPolarHBondContact OD2-CB 3.48Å; D54-L58 PolarHBondContact OD2-N 3.03Å; L58-G60 PolarHBondContact O-N 3.47Å; L58-Q61 WeakPolarHBondContact O-CB 3.21Å; L58-Q61 PolarHBondContact O-N 2.99Å; L58-L62 HydrophobicContact CD1-CD2 4.43Å; L58-L62 WeakPolarHBondContact O-CG 3.29Å; L58-L62 PolarHBondContact O-N 2.72Å; L58-L350 HydrophobicContact CD2-CB 4.34Å; L58-L350 HydrophobicContact CD2-CD1 4.34Å; L58-L350 HydrophobicContact CD2-CD2 4.36Å; L58-L354 HydrophobicContact CD1-CB 4.26Å; L58-L354 HydrophobicContact CD1-CD1 4.44Å; L58-L354 HydrophobicContact CD1-CD2 3.92Å; L58-L354 HydrophobicContact CD1-CG 4.42Å
59	E	98	Very high	97.5	Very high	77 Å²	77	78.3 Å²	78.3	36%	0.36	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-53.5	-51.3	178.5	-158.6	70.3	-164	0	0	111.9	D54 D57 Q61 L62 R70	D54-E59 PolarHBondContact OD2-N 3.22Å; D57-E59 PolarHBondContact O-N 3.43Å; E59-Q61 PolarHBondContact O-N 3.24Å; E59-L62 PolarHBondContact O-N 2.88Å; E59-R70 VanDerWaalsContact CD-NH1 3.29Å; E59-R70 IonicContact OE1-CZ 3.62Å; E59-R70 IonicContact OE1-NH1 3.99Å; E59-R70 PolarHBondContact OE1-NH1 2.85Å; E59-R70 IonicContact OE1-NH2 2.81Å; E59-R70 PolarHBondContact OE1-NH2 2.68Å; E59-R70 IonicContact OE2-CZ 2.79Å; E59-R70 IonicContact OE2-NH1 3.66Å; E59-R70 PolarHBondContact OE2-NH1 3.32Å; E59-R70 IonicContact OE2-NH2 3.57Å; E59-R70 PolarHBondContact OE2-NH2 3.09Å
60	G	97.6	Very high	97.8	Very high	60 Å²	60	70.1 Å²	70.1	62%	0.619	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-67.2	-1.3	177	0	0	0	0	0	115.7	D57 L58	D57-G60 PolarHBondContact OD1-N 2.83Å; L58-G60 PolarHBondContact O-N 3.47Å
61	Q	98.6	Very high	97.9	Very high	71 Å²	71	65.8 Å²	65.8	33%	0.332	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-111	-2.9	179.1	-58.1	167.9	-4.6	0	0	113.5	D57 L58 E59 L354 R358	D57-Q61 VanDerWaalsContact O-CG 3.28Å; D57-Q61 WeakPolarHBondContact O-CG 3.43Å; L58-Q61 WeakPolarHBondContact O-CB 3.21Å; L58-Q61 PolarHBondContact O-N 2.99Å; E59-Q61 PolarHBondContact O-N 3.24Å; Q61-L354 HydrophobicContact CB-CD2 3.61Å; Q61-L354 HydrophobicContact CG-CD2 4.36Å; Q61-R358 PolarHBondContact O-NH2 3.13Å
62	L	98.6	Very high	97.9	Very high	20 Å²	20	65.6 Å²	65.6	11%	0.105	34%	0.341	C	S	.	.	S	Bend	trans	-94.5	156.3	176.5	-63.3	-178.8	0	0	0	111.5	L58 E59 E66 I67 V123 L127 L354	L58-L62 HydrophobicContact CD1-CD2 4.43Å; L58-L62 WeakPolarHBondContact O-CG 3.29Å; L58-L62 PolarHBondContact O-N 2.72Å; E59-L62 PolarHBondContact O-N 2.88Å; L62-E66 HydrophobicContact CB-CB 4.23Å; L62-E66 HydrophobicContact CD2-CB 4.47Å; L62-I67 HydrophobicContact CB-CD1 4.14Å; L62-I67 HydrophobicContact CB-CG1 3.77Å; L62-I67 HydrophobicContact CD1-CG1 4.12Å; L62-V123 HydrophobicContact CD2-CG1 3.68Å; L62-L127 HydrophobicContact CD1-CD1 3.76Å; L62-L127 HydrophobicContact CD1-CD2 4.1Å; L62-L127 HydrophobicContact CD2-CD1 3.86Å; L62-L127 HydrophobicContact CG-CD1 4.41Å; L62-L354 HydrophobicContact CD2-CD1 3.93Å
63	T	98.6	Very high	98	Very high	61 Å²	61	62.3 Å²	62.3	37%	0.374	33%	0.329	S	S	.	.			trans	-80.8	159.8	167.9	69.3	0	0	0	0	111.3	E65 E66 I67	T63-E65 PolarHBondContact O-N 3.13Å; T63-E66 PolarHBondContact N-OE2 3.05Å; T63-E66 PolarHBondContact O-N 3.34Å; T63-E66 WeakPolarHBondContact OG1-CB 3.47Å; T63-E66 VanDerWaalsContact OG1-CG 3.28Å; T63-E66 WeakPolarHBondContact OG1-CG 3.33Å; T63-E66 PolarHBondContact OG1-N 3.16Å; T63-E66 VanDerWaalsContact OG1-N 3.12Å; T63-I67 WeakPolarHBondContact O-CG1 3.42Å; T63-I67 PolarHBondContact O-N 3.07Å
64	E	98.1	Very high	98.1	Very high	174 Å²	174	58.6 Å²	58.6	81%	0.813	31%	0.314	S	S	*	.	H	α-helix	trans	-56.1	-36.5	173.3	-62.2	-179.5	170.2	0	0	112	L68	E64-L68 VanDerWaalsContact O-CB 3.26Å; E64-L68 WeakPolarHBondContact O-CB 3.31Å; E64-L68 PolarHBondContact O-N 2.94Å
65	E	97.3	Very high	98.2	Very high	111 Å²	111	60 Å²	60	52%	0.519	33%	0.325	S	S	.	.	H	α-helix	trans	-63.9	-45.4	174	-171.8	-170	162.2	0	0	111.8	T63 L68 I69	T63-E65 PolarHBondContact O-N 3.13Å; E65-L68 PolarHBondContact O-N 3.44Å; E65-I69 HydrophobicContact CG-CD1 3.87Å; E65-I69 WeakPolarHBondContact O-CB 3.29Å; E65-I69 WeakPolarHBondContact O-CD1 3.42Å; E65-I69 VanDerWaalsContact O-CG1 3.23Å; E65-I69 WeakPolarHBondContact O-CG1 3.46Å; E65-I69 PolarHBondContact O-N 3.01Å
66	E	98.5	Very high	98.3	Very high	5 Å²	5	59.8 Å²	59.8	2%	0.023	32%	0.32	C	S	.	.	H	α-helix	trans	-66.2	-38.4	179.4	-76.4	162.8	177.9	0	0	112.3	L62 T63 R70 S121 V123 A124 L127 R358	L62-E66 HydrophobicContact CB-CB 4.23Å; L62-E66 HydrophobicContact CD2-CB 4.47Å; T63-E66 PolarHBondContact N-OE2 3.05Å; T63-E66 PolarHBondContact O-N 3.34Å; T63-E66 WeakPolarHBondContact OG1-CB 3.47Å; T63-E66 VanDerWaalsContact OG1-CG 3.28Å; T63-E66 WeakPolarHBondContact OG1-CG 3.33Å; T63-E66 PolarHBondContact OG1-N 3.16Å; T63-E66 VanDerWaalsContact OG1-N 3.12Å; E66-R70 VanDerWaalsContact O-CB 3.24Å; E66-R70 WeakPolarHBondContact O-CB 3.48Å; E66-R70 PolarHBondContact O-N 3.42Å; E66-S121 WeakPolarHBondContact OE1-CB 3.29Å; E66-S121 PolarHBondContact OE1-OG 2.71Å; E66-V123 HydrophobicContact CG-CG1 4.32Å; E66-V123 WeakPolarHBondContact OE1-CB 3.41Å; E66-A124 HydrophobicContact CG-CB 4.1Å; E66-L127 HydrophobicContact CB-CD1 3.85Å; E66-R358 VanDerWaalsContact CD-NH1 3.34Å; E66-R358 IonicContact OE1-CZ 3.28Å; E66-R358 IonicContact OE1-NH1 2.83Å; E66-R358 PolarHBondContact OE1-NH1 2.7Å; E66-R358 IonicContact OE1-NH2 3.77Å; E66-R358 IonicContact OE2-CZ 2.87Å; E66-R358 IonicContact OE2-NH1 2.94Å; E66-R358 PolarHBondContact OE2-NH1 3.22Å; E66-R358 VanDerWaalsContact OE2-NH1 3.15Å; E66-R358 IonicContact OE2-NH2 3.21Å; E66-R358 PolarHBondContact OE2-NH2 3.49Å
67	I	98.6	Very high	98.3	Very high	45 Å²	45	55 Å²	55	23%	0.231	30%	0.295	C	S	.	.	H	α-helix	trans	-64.2	-49.2	172.6	-69.6	167.7	0	0	0	110.5	L62 T63 I69 R70 D71	L62-I67 HydrophobicContact CB-CD1 4.14Å; L62-I67 HydrophobicContact CB-CG1 3.77Å; L62-I67 HydrophobicContact CD1-CG1 4.12Å; T63-I67 WeakPolarHBondContact O-CG1 3.42Å; T63-I67 PolarHBondContact O-N 3.07Å; I67-I69 PolarHBondContact O-N 3.36Å; I67-R70 WeakPolarHBondContact O-CB 3.01Å; I67-R70 PolarHBondContact O-N 2.76Å; I67-D71 PolarHBondContact O-N 3.03Å
68	L	98.1	Very high	98.3	Very high	118 Å²	118	54.3 Å²	54.3	62%	0.618	29%	0.288	S	S	*	.	H	α-helix	trans	-61.3	-45.2	-179.6	179.6	62.5	0	0	0	112	E64 E65 S72	E64-L68 VanDerWaalsContact O-CB 3.26Å; E64-L68 WeakPolarHBondContact O-CB 3.31Å; E64-L68 PolarHBondContact O-N 2.94Å; E65-L68 PolarHBondContact O-N 3.44Å; L68-S72 VanDerWaalsContact O-CB 3.23Å; L68-S72 WeakPolarHBondContact O-CB 3.34Å; L68-S72 PolarHBondContact O-N 2.86Å; L68-S72 PolarHBondContact O-OG 3.14Å
69	I	98	Very high	98.3	Very high	35 Å²	35	59.8 Å²	59.8	18%	0.179	31%	0.314	C	S	.	.	H	α-helix	trans	-60.6	-48.9	176.2	-72.2	165.8	0	0	0	110.4	E65 I67 D71 F73 T120 A124 I128	E65-I69 HydrophobicContact CG-CD1 3.87Å; E65-I69 WeakPolarHBondContact O-CB 3.29Å; E65-I69 WeakPolarHBondContact O-CD1 3.42Å; E65-I69 VanDerWaalsContact O-CG1 3.23Å; E65-I69 WeakPolarHBondContact O-CG1 3.46Å; E65-I69 PolarHBondContact O-N 3.01Å; I67-I69 PolarHBondContact O-N 3.36Å; I69-D71 PolarHBondContact O-N 3.11Å; I69-F73 VanDerWaalsContact O-CB 3.31Å; I69-F73 WeakPolarHBondContact O-CB 3.39Å; I69-F73 PolarHBondContact O-N 3.28Å; I69-T120 HydrophobicContact CD1-CG2 3.76Å; I69-A124 HydrophobicContact CD1-CB 3.94Å; I69-A124 HydrophobicContact CG2-CB 4.45Å; I69-I128 HydrophobicContact CG2-CD1 3.72Å; I69-I128 HydrophobicContact CG2-CG1 3.65Å
70	R	98.4	Very high	98.3	Very high	8 Å²	8	60.5 Å²	60.5	3%	0.03	32%	0.316	C	S	.	.	H	α-helix	trans	-56.7	-51.4	178.9	178.3	-161.4	71.1	-160.2	3.3	111.7	E59 E66 I67 F73 R74 L127 E131	E59-R70 VanDerWaalsContact CD-NH1 3.29Å; E59-R70 IonicContact OE1-CZ 3.62Å; E59-R70 IonicContact OE1-NH1 3.99Å; E59-R70 PolarHBondContact OE1-NH1 2.85Å; E59-R70 IonicContact OE1-NH2 2.81Å; E59-R70 PolarHBondContact OE1-NH2 2.68Å; E59-R70 IonicContact OE2-CZ 2.79Å; E59-R70 IonicContact OE2-NH1 3.66Å; E59-R70 PolarHBondContact OE2-NH1 3.32Å; E59-R70 IonicContact OE2-NH2 3.57Å; E59-R70 PolarHBondContact OE2-NH2 3.09Å; E66-R70 VanDerWaalsContact O-CB 3.24Å; E66-R70 WeakPolarHBondContact O-CB 3.48Å; E66-R70 PolarHBondContact O-N 3.42Å; I67-R70 WeakPolarHBondContact O-CB 3.01Å; I67-R70 PolarHBondContact O-N 2.76Å; R70-F73 PolarHBondContact O-N 2.86Å; R70-R74 WeakPolarHBondContact O-CB 3.26Å; R70-R74 PolarHBondContact O-N 2.97Å; R70-L127 HydrophobicContact CB-CB 4.14Å; R70-L127 HydrophobicContact CB-CD1 4.29Å; R70-L127 HydrophobicContact CG-CB 4.32Å; R70-L127 HydrophobicContact CG-CD2 4.47Å; R70-E131 HydrophobicContact CG-CG 3.89Å
71	D	98.6	Very high	98.4	Very high	51 Å²	51	57.6 Å²	57.6	27%	0.273	29%	0.286	S	S	.	.	H	α-helix	trans	-78.5	-31.3	-171.4	-69.9	-27.6	0	0	0	112.9	I67 I69 R74 T75	I67-D71 PolarHBondContact O-N 3.03Å; I69-D71 PolarHBondContact O-N 3.11Å; D71-R74 IonicContact OD1-CZ 2.88Å; D71-R74 IonicContact OD1-NE 3.19Å; D71-R74 IonicContact OD1-NH1 2.75Å; D71-R74 PolarHBondContact OD1-NH1 3.08Å; D71-T75 WeakPolarHBondContact O-CB 3.25Å; D71-T75 PolarHBondContact O-N 2.94Å; D71-T75 PolarHBondContact O-OG1 3.43Å
72	S	98.2	Very high	98.4	Very high	56 Å²	56	56 Å²	56	39%	0.392	28%	0.279	S	S	.	.	H	α-helix	trans	-60.7	-47.5	168.3	-57	0	0	0	0	110.9	L68 T75 Y76	L68-S72 VanDerWaalsContact O-CB 3.23Å; L68-S72 WeakPolarHBondContact O-CB 3.34Å; L68-S72 PolarHBondContact O-N 2.86Å; L68-S72 PolarHBondContact O-OG 3.14Å; S72-T75 PolarHBondContact O-N 3.41Å; S72-Y76 PolarHBondContact O-N 2.89Å
73	F	98.5	Very high	98.4	Very high	2 Å²	2	59.5 Å²	59.5	1%	0.009	30%	0.303	C	S	.	.	H	α-helix	trans	-74.9	-33.3	-178.9	-169.6	-116.8	0	0	0	113.4	I69 R70 T75 Y76 C77 M102 V107 I128 E131 V132 M143	I69-F73 VanDerWaalsContact O-CB 3.31Å; I69-F73 WeakPolarHBondContact O-CB 3.39Å; I69-F73 PolarHBondContact O-N 3.28Å; R70-F73 PolarHBondContact O-N 2.86Å; F73-T75 VanDerWaalsContact C-N 3.32Å; F73-T75 PolarHBondContact O-N 2.76Å; F73-Y76 AromaticContact CD2-CD1 3.67Å; F73-Y76 HydrophobicContact CD2-CD1 3.67Å; F73-Y76 HydrophobicContact CD2-CE1 4.36Å; F73-Y76 HydrophobicContact CD2-CG 4.5Å; F73-Y76 AromaticContact CE2-CD1 3.37Å; F73-Y76 HydrophobicContact CE2-CD1 3.37Å; F73-Y76 AromaticContact CE2-CE1 3.62Å; F73-Y76 HydrophobicContact CE2-CE1 3.62Å; F73-Y76 HydrophobicContact CZ-CD1 4.2Å; F73-Y76 HydrophobicContact CZ-CE1 4.26Å; F73-Y76 PolarHBondContact O-N 3.4Å; F73-C77 VanDerWaalsContact CE1-SG 3.57Å; F73-C77 WeakPolarHBondContact O-CB 3.41Å; F73-C77 PolarHBondContact O-N 2.96Å; F73-C77 PolarHBondContact O-SG 3.09Å; F73-M102 HydrophobicContact CE2-CG 4.43Å; F73-M102 HydrophobicContact CZ-CE 4.35Å; F73-V107 HydrophobicContact CD2-CB 4.42Å; F73-V107 HydrophobicContact CD2-CG1 3.65Å; F73-V107 HydrophobicContact CD2-CG2 4.1Å; F73-V107 HydrophobicContact CE2-CB 4.21Å; F73-V107 HydrophobicContact CE2-CG1 3.94Å; F73-V107 HydrophobicContact CE2-CG2 3.49Å; F73-V107 VanDerWaalsContact CE2-CG2 3.49Å; F73-V107 HydrophobicContact CG-CG1 4.1Å; F73-V107 HydrophobicContact CZ-CG2 3.93Å; F73-I128 HydrophobicContact CD1-CB 4.17Å; F73-I128 HydrophobicContact CD1-CG1 4.41Å; F73-I128 HydrophobicContact CD1-CG2 3.7Å; F73-I128 HydrophobicContact CE1-CB 4.36Å; F73-I128 HydrophobicContact CE1-CG2 3.47Å; F73-I128 VanDerWaalsContact CE1-CG2 3.47Å; F73-I128 WeakPolarHBondContact CE1-O 3.43Å; F73-I128 HydrophobicContact CG-CG2 4.4Å; F73-I128 HydrophobicContact CZ-CG2 4.04Å; F73-E131 HydrophobicContact CD1-CB 4.34Å; F73-V132 HydrophobicContact CE1-CB 3.78Å; F73-V132 HydrophobicContact CE1-CG1 4.1Å; F73-V132 HydrophobicContact CZ-CB 4.1Å; F73-M143 HydrophobicContact CZ-SD 4.33Å
74	R	98.7	Very high	98.4	Very high	73 Å²	73	60 Å²	60	28%	0.275	30%	0.298	S	S	.	.	H	α-helix	trans	-56.9	-45.5	169.2	175.8	-178.1	-73.7	162.4	-8.2	111.1	R70 D71 C77 Q78 E131	R70-R74 WeakPolarHBondContact O-CB 3.26Å; R70-R74 PolarHBondContact O-N 2.97Å; D71-R74 IonicContact OD1-CZ 2.88Å; D71-R74 IonicContact OD1-NE 3.19Å; D71-R74 IonicContact OD1-NH1 2.75Å; D71-R74 PolarHBondContact OD1-NH1 3.08Å; R74-C77 WeakPolarHBondContact O-CB 3.28Å; R74-C77 PolarHBondContact O-N 3.05Å; R74-C77 VanDerWaalsContact O-N 3.16Å; R74-Q78 HydrophobicContact CG-CG 4.44Å; R74-Q78 WeakPolarHBondContact O-CG 3.31Å; R74-Q78 PolarHBondContact O-N 3.36Å; R74-E131 HydrophobicContact CB-CB 4.34Å; R74-E131 HydrophobicContact CB-CG 4.14Å; R74-E131 IonicContact CZ-OE1 3.92Å; R74-E131 IonicContact CZ-OE2 2.63Å; R74-E131 VanDerWaalsContact NE-CD 3.33Å; R74-E131 IonicContact NE-OE1 2.66Å; R74-E131 IonicContact NE-OE2 3.72Å; R74-E131 PolarHBondContact NE-OE2 3.1Å; R74-E131 VanDerWaalsContact NH2-CD 3.33Å; R74-E131 IonicContact NH2-OE1 2.66Å; R74-E131 PolarHBondContact NH2-OE1 3.44Å; R74-E131 IonicContact NH2-OE2 3.4Å; R74-E131 PolarHBondContact NH2-OE2 3.33Å
75	T	98.6	Very high	98.4	Very high	73 Å²	73	51.7 Å²	51.7	45%	0.448	26%	0.259	S	S	.	.	H	α-helix	trans	-58.8	-50.8	178.4	-56.8	0	0	0	0	110.6	D71 S72 F73 C77 Q78 E79	D71-T75 WeakPolarHBondContact O-CB 3.25Å; D71-T75 PolarHBondContact O-N 2.94Å; D71-T75 PolarHBondContact O-OG1 3.43Å; S72-T75 PolarHBondContact O-N 3.41Å; F73-T75 VanDerWaalsContact C-N 3.32Å; F73-T75 PolarHBondContact O-N 2.76Å; T75-C77 VanDerWaalsContact C-N 3.34Å; T75-C77 PolarHBondContact O-N 3.2Å; T75-Q78 PolarHBondContact O-N 3.32Å; T75-E79 HydrophobicContact CG2-CG 4.44Å; T75-E79 WeakPolarHBondContact O-CB 3.25Å; T75-E79 WeakPolarHBondContact O-CG 3.42Å; T75-E79 PolarHBondContact O-N 2.76Å
76	Y	98.6	Very high	98.5	Very high	15 Å²	15	48.6 Å²	48.6	6%	0.059	25%	0.246	C	C	.	.	H	α-helix	trans	-54.5	-45.6	171.8	164.1	-103.6	0	0	0	112.9	S72 F73 Q78 E79 K80 L81 E101 M102 M105	S72-Y76 PolarHBondContact O-N 2.89Å; F73-Y76 AromaticContact CD2-CD1 3.67Å; F73-Y76 HydrophobicContact CD2-CD1 3.67Å; F73-Y76 HydrophobicContact CD2-CE1 4.36Å; F73-Y76 HydrophobicContact CD2-CG 4.5Å; F73-Y76 AromaticContact CE2-CD1 3.37Å; F73-Y76 HydrophobicContact CE2-CD1 3.37Å; F73-Y76 AromaticContact CE2-CE1 3.62Å; F73-Y76 HydrophobicContact CE2-CE1 3.62Å; F73-Y76 HydrophobicContact CZ-CD1 4.2Å; F73-Y76 HydrophobicContact CZ-CE1 4.26Å; F73-Y76 PolarHBondContact O-N 3.4Å; Y76-Q78 PolarHBondContact O-N 2.68Å; Y76-E79 PolarHBondContact O-N 2.76Å; Y76-K80 HydrophobicContact CD2-CB 3.85Å; Y76-K80 HydrophobicContact CD2-CG 3.47Å; Y76-K80 VanDerWaalsContact CD2-CG 3.47Å; Y76-K80 HydrophobicContact CE2-CB 3.65Å; Y76-K80 HydrophobicContact CE2-CG 3.66Å; Y76-K80 HydrophobicContact CG-CG 4.49Å; Y76-K80 WeakPolarHBondContact O-CB 3.44Å; Y76-K80 PolarHBondContact O-N 2.68Å; Y76-L81 HydrophobicContact CE1-CD1 3.92Å; Y76-L81 HydrophobicContact CE1-CD2 4.2Å; Y76-L81 HydrophobicContact CE1-CG 4.01Å; Y76-E101 HydrophobicContact CE2-CB 3.75Å; Y76-E101 VanDerWaalsContact OH-CB 3.26Å; Y76-E101 WeakPolarHBondContact OH-CB 3.39Å; Y76-E101 PolarHBondContact OH-OE2 2.97Å; Y76-M102 HydrophobicContact CE1-CE 4.46Å; Y76-M102 HydrophobicContact CE1-CG 4.02Å; Y76-M105 HydrophobicContact CD2-CG 4.28Å; Y76-M105 HydrophobicContact CG-CG 4.18Å
77	C	98.8	Very high	98.5	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.272	C	S	.	.	I	π-helix	trans	-61.8	-43.1	179.5	-69.9	0	0	0	0	112.4	F73 R74 T75 L81 M82 V135	F73-C77 VanDerWaalsContact CE1-SG 3.57Å; F73-C77 WeakPolarHBondContact O-CB 3.41Å; F73-C77 PolarHBondContact O-N 2.96Å; F73-C77 PolarHBondContact O-SG 3.09Å; R74-C77 WeakPolarHBondContact O-CB 3.28Å; R74-C77 PolarHBondContact O-N 3.05Å; R74-C77 VanDerWaalsContact O-N 3.16Å; T75-C77 VanDerWaalsContact C-N 3.34Å; T75-C77 PolarHBondContact O-N 3.2Å; C77-L81 HydrophobicContact CB-CD1 4.35Å; C77-L81 WeakPolarHBondContact O-CB 3.47Å; C77-L81 PolarHBondContact O-N 2.94Å; C77-M82 PolarHBondContact O-N 3.33Å; C77-V135 HydrophobicContact CB-CG2 3.9Å
78	Q	98.3	Very high	98.5	Very high	81 Å²	81	51.3 Å²	51.3	38%	0.379	26%	0.261	S	S	.	.	I	π-helix	trans	-74.3	-35.3	178.9	-60.2	-46.1	-67.5	0	0	113	R74 T75 Y76	R74-Q78 HydrophobicContact CG-CG 4.44Å; R74-Q78 WeakPolarHBondContact O-CG 3.31Å; R74-Q78 PolarHBondContact O-N 3.36Å; T75-Q78 PolarHBondContact O-N 3.32Å; Y76-Q78 PolarHBondContact O-N 2.68Å
79	E	98.4	Very high	98.5	Very high	119 Å²	119	46.3 Å²	46.3	56%	0.556	24%	0.235	S	C	*	.	I	π-helix	trans	-83.5	-34.5	-178.3	-71.1	-170.9	-174.4	0	0	114.7	T75 Y76 P83	T75-E79 HydrophobicContact CG2-CG 4.44Å; T75-E79 WeakPolarHBondContact O-CB 3.25Å; T75-E79 WeakPolarHBondContact O-CG 3.42Å; T75-E79 PolarHBondContact O-N 2.76Å; Y76-E79 PolarHBondContact O-N 2.76Å; E79-P83 WeakPolarHBondContact O-CG 3.45Å
80	K	98.3	Very high	98.6	Very high	92 Å²	92	48.9 Å²	48.9	40%	0.4	24%	0.242	S	C	.	.	I	π-helix	trans	-109.1	-42.1	-172.1	-49.2	-53	-178.7	-161.1	0	113	Y76 R84	Y76-K80 HydrophobicContact CD2-CB 3.85Å; Y76-K80 HydrophobicContact CD2-CG 3.47Å; Y76-K80 VanDerWaalsContact CD2-CG 3.47Å; Y76-K80 HydrophobicContact CE2-CB 3.65Å; Y76-K80 HydrophobicContact CE2-CG 3.66Å; Y76-K80 HydrophobicContact CG-CG 4.49Å; Y76-K80 WeakPolarHBondContact O-CB 3.44Å; Y76-K80 PolarHBondContact O-N 2.68Å; K80-R84 WeakPolarHBondContact O-CD 3.47Å; K80-R84 WeakPolarHBondContact O-CG 3.16Å; K80-R84 PolarHBondContact O-NE 3.39Å
81	L	98.6	Very high	98.6	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.266	C	S	.	.	I	π-helix	trans	-86	-45.2	-175.2	-54	-175.2	0	0	0	112.4	Y76 C77 R84 I85 I98 M102 V132 V135 Y139	Y76-L81 HydrophobicContact CE1-CD1 3.92Å; Y76-L81 HydrophobicContact CE1-CD2 4.2Å; Y76-L81 HydrophobicContact CE1-CG 4.01Å; C77-L81 HydrophobicContact CB-CD1 4.35Å; C77-L81 WeakPolarHBondContact O-CB 3.47Å; C77-L81 PolarHBondContact O-N 2.94Å; L81-R84 PolarHBondContact O-N 3.07Å; L81-R84 VanDerWaalsContact O-N 3.09Å; L81-I85 PolarHBondContact O-N 3.47Å; L81-I98 HydrophobicContact CD2-CB 4.41Å; L81-I98 HydrophobicContact CD2-CD1 3.9Å; L81-I98 HydrophobicContact CD2-CG1 3.84Å; L81-I98 HydrophobicContact CD2-CG2 3.76Å; L81-M102 HydrophobicContact CD1-CE 3.95Å; L81-V132 HydrophobicContact CD1-CG2 3.96Å; L81-V135 HydrophobicContact CB-CB 4.44Å; L81-V135 HydrophobicContact CB-CG1 3.87Å; L81-V135 HydrophobicContact CB-CG2 4.45Å; L81-Y139 HydrophobicContact CB-CD2 3.98Å; L81-Y139 HydrophobicContact CB-CE2 3.9Å; L81-Y139 HydrophobicContact CD1-CD2 4.12Å; L81-Y139 HydrophobicContact CD2-CD2 4.38Å; L81-Y139 HydrophobicContact CD2-CE2 4.44Å; L81-Y139 HydrophobicContact CG-CD2 4.4Å
82	M	98.6	Very high	98.6	Very high	36 Å²	36	52.8 Å²	52.8	18%	0.177	26%	0.263	C	S	.	.	H	α-helix	trans	-62	-36.8	-176.1	-164.8	63.7	-176.6	0	0	114.2	C77 R84 I85 V135 F309 H402	C77-M82 PolarHBondContact O-N 3.33Å; M82-R84 VanDerWaalsContact C-N 3.27Å; M82-R84 PolarHBondContact O-N 3.4Å; M82-I85 WeakPolarHBondContact O-CG2 3.33Å; M82-I85 HydrophobicContact SD-CG2 4.06Å; M82-V135 HydrophobicContact CB-CG1 4.35Å; M82-V135 HydrophobicContact CB-CG2 4.28Å; M82-V135 HydrophobicContact SD-CB 4.45Å; M82-V135 HydrophobicContact SD-CG1 3.93Å; M82-V135 HydrophobicContact SD-CG2 4.27Å; M82-F309 HydrophobicContact CE-CE2 3.74Å; M82-F309 HydrophobicContact CE-CZ 4.03Å; M82-H402 WeakPolarHBondContact CE-CD2 3.47Å
83	P	98.4	Very high	98.6	Very high	95 Å²	95	53.1 Å²	53.1	62%	0.617	26%	0.262	S	S	*	.	H	α-helix	trans	-68.9	-23.5	174.6	-22.8	36.5	0	0	0	113.8	E79	E79-P83 WeakPolarHBondContact O-CG 3.45Å
84	R	98.4	Very high	98.5	Very high	70 Å²	70	54.5 Å²	54.5	26%	0.264	27%	0.268	S	S	.	.	H	α-helix	trans	-84.9	-29.9	-178.2	-64.9	175.3	-177.7	160.3	1.5	112.8	K80 L81 M82 L86 A88 E101	K80-R84 WeakPolarHBondContact O-CD 3.47Å; K80-R84 WeakPolarHBondContact O-CG 3.16Å; K80-R84 PolarHBondContact O-NE 3.39Å; L81-R84 PolarHBondContact O-N 3.07Å; L81-R84 VanDerWaalsContact O-N 3.09Å; M82-R84 VanDerWaalsContact C-N 3.27Å; M82-R84 PolarHBondContact O-N 3.4Å; R84-L86 PolarHBondContact O-N 2.88Å; R84-A88 VanDerWaalsContact O-CB 3.26Å; R84-A88 WeakPolarHBondContact O-CB 3.15Å; R84-A88 PolarHBondContact O-N 3.33Å; R84-A88 VanDerWaalsContact O-N 3.14Å; R84-E101 IonicContact CZ-OE1 3.81Å; R84-E101 IonicContact CZ-OE2 2.97Å; R84-E101 VanDerWaalsContact NH1-CD 3.32Å; R84-E101 IonicContact NH1-OE1 3.68Å; R84-E101 PolarHBondContact NH1-OE1 3.19Å; R84-E101 VanDerWaalsContact NH1-OE1 3.15Å; R84-E101 IonicContact NH1-OE2 2.85Å; R84-E101 PolarHBondContact NH1-OE2 3.33Å; R84-E101 IonicContact NH2-OE1 2.68Å; R84-E101 PolarHBondContact NH2-OE1 2.89Å; R84-E101 IonicContact NH2-OE2 2.68Å
85	I	98.8	Very high	98.5	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-65.5	-34.3	-161.9	-170.6	57.6	0	0	0	114.9	L81 M82 A88 N89 V135 D136 Y139 A260	L81-I85 PolarHBondContact O-N 3.47Å; M82-I85 WeakPolarHBondContact O-CG2 3.33Å; M82-I85 HydrophobicContact SD-CG2 4.06Å; I85-A88 PolarHBondContact O-N 3.32Å; I85-N89 HydrophobicContact CD1-CB 4.24Å; I85-N89 VanDerWaalsContact O-CB 3.25Å; I85-N89 WeakPolarHBondContact O-CB 3.29Å; I85-N89 PolarHBondContact O-N 3.34Å; I85-V135 HydrophobicContact CB-CG1 4.29Å; I85-V135 HydrophobicContact CG2-CG1 4.27Å; I85-D136 HydrophobicContact CD1-CB 3.51Å; I85-D136 WeakPolarHBondContact CD1-OD2 3.44Å; I85-D136 HydrophobicContact CG1-CB 3.85Å; I85-Y139 HydrophobicContact CB-CE2 4.1Å; I85-Y139 HydrophobicContact CD1-CD2 4.48Å; I85-Y139 HydrophobicContact CD1-CE1 4.28Å; I85-Y139 HydrophobicContact CD1-CE2 3.78Å; I85-Y139 HydrophobicContact CG1-CE2 4.34Å; I85-A260 HydrophobicContact CD1-CB 3.43Å; I85-A260 VanDerWaalsContact CD1-CB 3.43Å
86	L	98.7	Very high	98.4	Very high	46 Å²	46	53 Å²	53	24%	0.241	26%	0.256	C	S	.	.	H	α-helix	trans	-57.6	-57.1	-176.5	179.7	61.3	0	0	0	111.3	R84 R90 D399	R84-L86 PolarHBondContact O-N 2.88Å; L86-R90 VanDerWaalsContact O-CB 3.29Å; L86-R90 WeakPolarHBondContact O-CB 3.27Å; L86-R90 PolarHBondContact O-N 3.44Å; L86-D399 HydrophobicContact CD1-CB 4.2Å; L86-D399 WeakPolarHBondContact CD1-O 3.43Å; L86-D399 WeakPolarHBondContact CD1-OD2 3.42Å
87	L	98.7	Very high	98.3	Very high	106 Å²	106	57.3 Å²	57.3	56%	0.555	28%	0.277	S	S	*	.	H	α-helix	trans	-73.9	-33	179.7	-61.4	-178.9	0	0	0	112.3	R90 N91	L87-R90 PolarHBondContact O-N 2.93Å; L87-N91 VanDerWaalsContact O-CB 3.31Å; L87-N91 WeakPolarHBondContact O-CB 3.48Å; L87-N91 PolarHBondContact O-N 3.12Å
88	A	98.8	Very high	98.3	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.008	28%	0.278	C	S	.	.	H	α-helix	trans	-59.2	-47.4	174.7	0	0	0	0	0	112.3	R84 I85 E92 V93 A260	R84-A88 VanDerWaalsContact O-CB 3.26Å; R84-A88 WeakPolarHBondContact O-CB 3.15Å; R84-A88 PolarHBondContact O-N 3.33Å; R84-A88 VanDerWaalsContact O-N 3.14Å; I85-A88 PolarHBondContact O-N 3.32Å; A88-E92 PolarHBondContact O-N 3.38Å; A88-E92 VanDerWaalsContact O-N 3.16Å; A88-V93 WeakPolarHBondContact CB-O 3.26Å; A88-V93 PolarHBondContact O-N 2.93Å; A88-A260 HydrophobicContact CB-CB 3.97Å
89	N	98.8	Very high	98.2	Very high	13 Å²	13	53.6 Å²	53.6	7%	0.07	26%	0.26	C	S	.	.	H	α-helix	trans	-70.1	-42.8	176.5	175.5	80.3	0	0	0	112.1	I85 N91 R259 R405	I85-N89 HydrophobicContact CD1-CB 4.24Å; I85-N89 VanDerWaalsContact O-CB 3.25Å; I85-N89 WeakPolarHBondContact O-CB 3.29Å; I85-N89 PolarHBondContact O-N 3.34Å; N89-N91 VanDerWaalsContact C-N 3.33Å; N89-N91 PolarHBondContact O-N 3.16Å; N89-R259 WeakPolarHBondContact O-CB 3.36Å; N89-R259 WeakPolarHBondContact O-CD 3.48Å; N89-R259 PolarHBondContact O-NE 3.43Å; N89-R405 HydrophobicContact CB-CG 4.27Å
90	R	98.7	Very high	98.2	Very high	90 Å²	90	49.9 Å²	49.9	34%	0.34	25%	0.247	S	C	.	.	H	α-helix	trans	-60.6	-44.3	-180	-169.3	175.3	-70	-172	-6.9	111.5	L86 L87 R259 D399 E400	L86-R90 VanDerWaalsContact O-CB 3.29Å; L86-R90 WeakPolarHBondContact O-CB 3.27Å; L86-R90 PolarHBondContact O-N 3.44Å; L87-R90 PolarHBondContact O-N 2.93Å; R90-R259 PolarHBondContact O-NH2 2.9Å; R90-D399 IonicContact CZ-OD1 3.47Å; R90-D399 IonicContact CZ-OD2 3.5Å; R90-D399 IonicContact NE-OD1 3.49Å; R90-D399 PolarHBondContact NE-OD1 3.14Å; R90-D399 IonicContact NE-OD2 2.91Å; R90-D399 PolarHBondContact NE-OD2 2.86Å; R90-D399 IonicContact NH2-OD1 2.73Å; R90-D399 PolarHBondContact NH2-OD1 2.76Å; R90-D399 IonicContact NH2-OD2 3.47Å; R90-D399 PolarHBondContact NH2-OD2 3.29Å; R90-E400 IonicContact CZ-OE1 3.6Å; R90-E400 IonicContact NH1-OE1 3.59Å; R90-E400 IonicContact NH2-OE1 3.31Å; R90-E400 PolarHBondContact NH2-OE1 2.87Å; R90-E400 IonicContact NH2-OE2 3.43Å; R90-E400 PolarHBondContact NH2-OE2 2.79Å
91	N	98.6	Very high	98.2	Very high	99 Å²	99	47.3 Å²	47.3	53%	0.529	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	8	-169.8	-57.2	-15	0	0	0	114.8	L87 N89 V93	L87-N91 VanDerWaalsContact O-CB 3.31Å; L87-N91 WeakPolarHBondContact O-CB 3.48Å; L87-N91 PolarHBondContact O-N 3.12Å; N89-N91 VanDerWaalsContact C-N 3.33Å; N89-N91 PolarHBondContact O-N 3.16Å; N91-V93 VanDerWaalsContact C-N 3.29Å; N91-V93 HydrophobicContact CB-CG2 3.97Å; N91-V93 PolarHBondContact O-N 2.84Å
92	E	98.4	Very high	98.1	Very high	42 Å²	42	47.4 Å²	47.4	20%	0.196	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	36.9	-175.5	-78	167.9	-90.2	0	0	114.3	A88 R259	A88-E92 PolarHBondContact O-N 3.38Å; A88-E92 VanDerWaalsContact O-N 3.16Å; E92-R259 WeakPolarHBondContact CA-O 3.28Å; E92-R259 HydrophobicContact CG-CB 3.79Å; E92-R259 HydrophobicContact CG-CG 3.99Å; E92-R259 VanDerWaalsContact CG-CZ 3.5Å; E92-R259 IonicContact OE1-CZ 2.69Å; E92-R259 IonicContact OE1-NH1 2.88Å; E92-R259 PolarHBondContact OE1-NH1 3.4Å; E92-R259 IonicContact OE1-NH2 2.69Å; E92-R259 PolarHBondContact OE1-NH2 3.21Å; E92-R259 IonicContact OE2-NH1 3.23Å
93	V	98.4	Very high	98.1	Very high	63 Å²	63	46.1 Å²	46.1	38%	0.382	23%	0.233	S	C	.	.			trans	-96.8	116.2	-180	179.8	0	0	0	0	110.7	A88 N91	A88-V93 WeakPolarHBondContact CB-O 3.26Å; A88-V93 PolarHBondContact O-N 2.93Å; N91-V93 VanDerWaalsContact C-N 3.29Å; N91-V93 HydrophobicContact CB-CG2 3.97Å; N91-V93 PolarHBondContact O-N 2.84Å
94	F	97.9	Very high	98	Very high	31 Å²	31	49.5 Å²	49.5	14%	0.136	24%	0.24	C	C	.	.			trans	-93.7	130	164.9	169.8	-109.6	0	0	0	110	R96 V99 V142 L176 V220 A262	F94-R96 HydrophobicContact CE1-CB 4.34Å; F94-V99 HydrophobicContact CZ-CG2 3.74Å; F94-V142 HydrophobicContact CD2-CG2 4.23Å; F94-V142 HydrophobicContact CE2-CB 4.43Å; F94-V142 HydrophobicContact CE2-CG1 4.07Å; F94-V142 HydrophobicContact CE2-CG2 3.71Å; F94-V142 HydrophobicContact CZ-CG1 4.09Å; F94-V142 HydrophobicContact CZ-CG2 4.35Å; F94-L176 HydrophobicContact CE1-CD2 3.99Å; F94-L176 HydrophobicContact CZ-CD2 4.18Å; F94-V220 HydrophobicContact CD1-CG2 3.87Å; F94-V220 HydrophobicContact CE1-CG2 3.8Å; F94-A262 HydrophobicContact CB-CB 4.15Å; F94-A262 HydrophobicContact CD1-CB 4.15Å; F94-A262 HydrophobicContact CG-CB 4.26Å
95	H	97.6	Very high	97.9	Very high	54 Å²	54	49.9 Å²	49.9	25%	0.25	25%	0.246	C	C	.	.			trans	-97.5	112.1	178.7	-63.2	84	0	0	0	108.7	E97 I98	H95-E97 VanDerWaalsContact CA-OE2 3.29Å; H95-E97 WeakPolarHBondContact CA-OE2 3.47Å; H95-E97 VanDerWaalsContact CB-OE2 3.31Å; H95-E97 WeakPolarHBondContact CB-OE2 3.26Å; H95-E97 PolarHBondContact O-N 3.36Å; H95-I98 HydrophobicContact CB-CD1 3.82Å; H95-I98 HydrophobicContact CB-CG1 4.03Å; H95-I98 WeakPolarHBondContact O-CB 3.3Å; H95-I98 PolarHBondContact O-N 3.05Å
96	R	96.6	Very high	97.8	Very high	59 Å²	59	51.3 Å²	51.3	22%	0.223	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-23.2	-176.5	176.5	57.5	171.7	79.4	1.1	112.2	F94 I98 V99 G173 E174 D222	F94-R96 HydrophobicContact CE1-CB 4.34Å; R96-I98 VanDerWaalsContact C-N 3.27Å; R96-I98 PolarHBondContact O-N 2.95Å; R96-V99 WeakPolarHBondContact O-CB 3.43Å; R96-V99 WeakPolarHBondContact O-CG2 3.27Å; R96-V99 PolarHBondContact O-N 3.2Å; R96-G173 PolarHBondContact NH1-O 2.85Å; R96-E174 PolarHBondContact NH2-O 3.47Å; R96-D222 IonicContact CZ-OD2 3.81Å; R96-D222 IonicContact NE-OD2 3.15Å; R96-D222 IonicContact NH2-OD2 2.73Å; R96-D222 PolarHBondContact NH2-OD2 2.69Å
97	E	97.2	Very high	97.7	Very high	106 Å²	106	49.5 Å²	49.5	50%	0.495	25%	0.252	S	S	.	.	H	α-helix	trans	-62.8	-33.9	179.5	-54.6	68.3	-143.7	0	0	111.1	H95 V99 S100 E101	H95-E97 VanDerWaalsContact CA-OE2 3.29Å; H95-E97 WeakPolarHBondContact CA-OE2 3.47Å; H95-E97 VanDerWaalsContact CB-OE2 3.31Å; H95-E97 WeakPolarHBondContact CB-OE2 3.26Å; H95-E97 PolarHBondContact O-N 3.36Å; E97-V99 PolarHBondContact O-N 3.4Å; E97-V99 VanDerWaalsContact O-N 3.12Å; E97-S100 PolarHBondContact O-N 3.31Å; E97-E101 WeakPolarHBondContact O-CG 3.47Å; E97-E101 PolarHBondContact O-N 3.27Å
98	I	97.6	Very high	97.7	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-56	-31.1	176.2	-68.3	173.1	0	0	0	111.6	L81 H95 R96 M102 Y139	L81-I98 HydrophobicContact CD2-CB 4.41Å; L81-I98 HydrophobicContact CD2-CD1 3.9Å; L81-I98 HydrophobicContact CD2-CG1 3.84Å; L81-I98 HydrophobicContact CD2-CG2 3.76Å; H95-I98 HydrophobicContact CB-CD1 3.82Å; H95-I98 HydrophobicContact CB-CG1 4.03Å; H95-I98 WeakPolarHBondContact O-CB 3.3Å; H95-I98 PolarHBondContact O-N 3.05Å; R96-I98 VanDerWaalsContact C-N 3.27Å; R96-I98 PolarHBondContact O-N 2.95Å; I98-M102 HydrophobicContact CG2-CE 3.69Å; I98-M102 HydrophobicContact CG2-CG 4.44Å; I98-M102 HydrophobicContact CG2-SD 4.09Å; I98-M102 VanDerWaalsContact O-CB 3.32Å; I98-M102 WeakPolarHBondContact O-CB 3.38Å; I98-M102 WeakPolarHBondContact O-CG 3.45Å; I98-M102 PolarHBondContact O-N 3.27Å; I98-Y139 HydrophobicContact CD1-CD1 4.04Å; I98-Y139 HydrophobicContact CD1-CE1 3.58Å; I98-Y139 HydrophobicContact CD1-CE2 4.44Å
99	V	97.5	Very high	97.6	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.012	23%	0.226	C	C	.	.	H	α-helix	trans	-71.2	-42.9	178.3	-171.1	0	0	0	0	110.6	F94 R96 E97 M102 G103 L108 V142 L176	F94-V99 HydrophobicContact CZ-CG2 3.74Å; R96-V99 WeakPolarHBondContact O-CB 3.43Å; R96-V99 WeakPolarHBondContact O-CG2 3.27Å; R96-V99 PolarHBondContact O-N 3.2Å; E97-V99 PolarHBondContact O-N 3.4Å; E97-V99 VanDerWaalsContact O-N 3.12Å; V99-M102 PolarHBondContact O-N 3.19Å; V99-G103 PolarHBondContact O-N 3.04Å; V99-L108 HydrophobicContact CG1-CD1 4.14Å; V99-L108 WeakPolarHBondContact O-CD1 3.41Å; V99-V142 HydrophobicContact CG2-CG1 4.04Å; V99-L176 HydrophobicContact CG1-CD1 4.06Å; V99-L176 HydrophobicContact CG2-CD1 3.99Å; V99-L176 HydrophobicContact CG2-CD2 4.32Å
100	S	97.1	Very high	97.5	Very high	40 Å²	40	44 Å²	44	28%	0.28	22%	0.223	S	C	.	.	H	α-helix	trans	-67.1	-45.1	176.1	-51.2	0	0	0	0	110.9	E97 M102 G103 E104	E97-S100 PolarHBondContact O-N 3.31Å; S100-M102 VanDerWaalsContact C-N 3.33Å; S100-M102 PolarHBondContact O-N 2.7Å; S100-G103 CarbonylContact O-C 3.51Å; S100-G103 WeakPolarHBondContact O-CA 3.15Å; S100-G103 PolarHBondContact O-N 3.21Å; S100-E104 PolarHBondContact O-N 3.46Å
101	E	98.3	Very high	97.4	Very high	38 Å²	38	41.1 Å²	41.1	18%	0.178	22%	0.216	C	C	.	.	H	α-helix	trans	-58.9	-40.5	175	-69.1	171.4	-176.6	0	0	112.2	Y76 R84 E97 G103 M105	Y76-E101 HydrophobicContact CE2-CB 3.75Å; Y76-E101 VanDerWaalsContact OH-CB 3.26Å; Y76-E101 WeakPolarHBondContact OH-CB 3.39Å; Y76-E101 PolarHBondContact OH-OE2 2.97Å; R84-E101 IonicContact CZ-OE1 3.81Å; R84-E101 IonicContact CZ-OE2 2.97Å; R84-E101 VanDerWaalsContact NH1-CD 3.32Å; R84-E101 IonicContact NH1-OE1 3.68Å; R84-E101 PolarHBondContact NH1-OE1 3.19Å; R84-E101 VanDerWaalsContact NH1-OE1 3.15Å; R84-E101 IonicContact NH1-OE2 2.85Å; R84-E101 PolarHBondContact NH1-OE2 3.33Å; R84-E101 IonicContact NH2-OE1 2.68Å; R84-E101 PolarHBondContact NH2-OE1 2.89Å; R84-E101 IonicContact NH2-OE2 2.68Å; E97-E101 WeakPolarHBondContact O-CG 3.47Å; E97-E101 PolarHBondContact O-N 3.27Å; E101-G103 VanDerWaalsContact C-N 3.31Å; E101-G103 PolarHBondContact O-N 3.31Å; E101-M105 VanDerWaalsContact O-CG 3.3Å; E101-M105 WeakPolarHBondContact O-CG 3.34Å; E101-M105 PolarHBondContact O-N 2.96Å; E101-M105 VanDerWaalsContact O-N 3.1Å
102	M	97.9	Very high	97.4	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.01	19%	0.192	C	C	.	.	H	α-helix	trans	-67.1	-29.9	172	-77.5	178	-179.1	0	0	113.1	F73 Y76 L81 I98 V99 S100 G106 V107 L108 V132 M143	F73-M102 HydrophobicContact CE2-CG 4.43Å; F73-M102 HydrophobicContact CZ-CE 4.35Å; Y76-M102 HydrophobicContact CE1-CE 4.46Å; Y76-M102 HydrophobicContact CE1-CG 4.02Å; L81-M102 HydrophobicContact CD1-CE 3.95Å; I98-M102 HydrophobicContact CG2-CE 3.69Å; I98-M102 HydrophobicContact CG2-CG 4.44Å; I98-M102 HydrophobicContact CG2-SD 4.09Å; I98-M102 VanDerWaalsContact O-CB 3.32Å; I98-M102 WeakPolarHBondContact O-CB 3.38Å; I98-M102 WeakPolarHBondContact O-CG 3.45Å; I98-M102 PolarHBondContact O-N 3.27Å; V99-M102 PolarHBondContact O-N 3.19Å; S100-M102 VanDerWaalsContact C-N 3.33Å; S100-M102 PolarHBondContact O-N 2.7Å; M102-G106 PolarHBondContact O-N 3.02Å; M102-V107 HydrophobicContact CB-CG2 3.79Å; M102-V107 HydrophobicContact CG-CG2 4.02Å; M102-V107 VanDerWaalsContact O-CG2 3.26Å; M102-V107 WeakPolarHBondContact O-CG2 3.29Å; M102-V107 PolarHBondContact O-N 2.71Å; M102-V107 VanDerWaalsContact O-N 3.12Å; M102-L108 HydrophobicContact CB-CD1 4.35Å; M102-L108 HydrophobicContact CB-CD2 3.86Å; M102-L108 HydrophobicContact CB-CG 4.03Å; M102-L108 HydrophobicContact SD-CD2 4.46Å; M102-V132 HydrophobicContact CE-CG2 3.89Å; M102-M143 HydrophobicContact SD-CB 4.15Å; M102-M143 HydrophobicContact SD-CG 4.24Å
103	G	97.4	Very high	97.3	Very high	9 Å²	9	42.2 Å²	42.2	9%	0.093	22%	0.215	C	C	.	.	H	α-helix	trans	-73.7	-39.7	175.3	0	0	0	0	0	113.1	V99 S100 E101 M105 G106 A171	V99-G103 PolarHBondContact O-N 3.04Å; S100-G103 CarbonylContact O-C 3.51Å; S100-G103 WeakPolarHBondContact O-CA 3.15Å; S100-G103 PolarHBondContact O-N 3.21Å; E101-G103 VanDerWaalsContact C-N 3.31Å; E101-G103 PolarHBondContact O-N 3.31Å; G103-M105 VanDerWaalsContact C-N 3.3Å; G103-M105 PolarHBondContact O-N 3.34Å; G103-G106 PolarHBondContact O-N 2.89Å; G103-A171 WeakPolarHBondContact CA-O 3.24Å
104	E	96.6	Very high	97.3	Very high	166 Å²	166	41.4 Å²	41.4	78%	0.776	22%	0.219	S	C	*	.	H	α-helix	trans	-61.4	-38.6	171.1	-71	172.4	-167.5	0	0	111.6	S100 G106	S100-E104 PolarHBondContact O-N 3.46Å; E104-G106 PolarHBondContact O-N 3.37Å
105	M	96.3	Very high	97.3	Very high	79 Å²	79	42.1 Å²	42.1	39%	0.389	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-3.6	172.4	-67.9	-65.2	-62.3	0	0	114	Y76 E101 G103 V107	Y76-M105 HydrophobicContact CD2-CG 4.28Å; Y76-M105 HydrophobicContact CG-CG 4.18Å; E101-M105 VanDerWaalsContact O-CG 3.3Å; E101-M105 WeakPolarHBondContact O-CG 3.34Å; E101-M105 PolarHBondContact O-N 2.96Å; E101-M105 VanDerWaalsContact O-N 3.1Å; G103-M105 VanDerWaalsContact C-N 3.3Å; G103-M105 PolarHBondContact O-N 3.34Å; M105-V107 VanDerWaalsContact C-N 3.26Å; M105-V107 HydrophobicContact CB-CG1 4.36Å; M105-V107 PolarHBondContact O-N 3.23Å
106	G	95.8	Very high	97.2	Very high	30 Å²	30	42.7 Å²	42.7	31%	0.309	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	12.6	177.4	0	0	0	0	0	115.8	M102 G103 E104	M102-G106 PolarHBondContact O-N 3.02Å; G103-G106 PolarHBondContact O-N 2.89Å; E104-G106 PolarHBondContact O-N 3.37Å
107	V	97.3	Very high	97.2	Very high	7 Å²	7	40.6 Å²	40.6	4%	0.042	24%	0.237	C	C	.	.			trans	-89.5	3.1	-173	-60.2	0	0	0	0	114.7	F73 M102 M105 P110 I128	F73-V107 HydrophobicContact CD2-CB 4.42Å; F73-V107 HydrophobicContact CD2-CG1 3.65Å; F73-V107 HydrophobicContact CD2-CG2 4.1Å; F73-V107 HydrophobicContact CE2-CB 4.21Å; F73-V107 HydrophobicContact CE2-CG1 3.94Å; F73-V107 HydrophobicContact CE2-CG2 3.49Å; F73-V107 VanDerWaalsContact CE2-CG2 3.49Å; F73-V107 HydrophobicContact CG-CG1 4.1Å; F73-V107 HydrophobicContact CZ-CG2 3.93Å; M102-V107 HydrophobicContact CB-CG2 3.79Å; M102-V107 HydrophobicContact CG-CG2 4.02Å; M102-V107 VanDerWaalsContact O-CG2 3.26Å; M102-V107 WeakPolarHBondContact O-CG2 3.29Å; M102-V107 PolarHBondContact O-N 2.71Å; M102-V107 VanDerWaalsContact O-N 3.12Å; M105-V107 VanDerWaalsContact C-N 3.26Å; M105-V107 HydrophobicContact CB-CG1 4.36Å; M105-V107 PolarHBondContact O-N 3.23Å; V107-P110 WeakPolarHBondContact O-CD 3.38Å; V107-I128 HydrophobicContact CB-CD1 4.16Å; V107-I128 HydrophobicContact CB-CG2 3.95Å; V107-I128 HydrophobicContact CG1-CD1 3.9Å; V107-I128 HydrophobicContact CG1-CG1 4.24Å; V107-I128 HydrophobicContact CG1-CG2 4.17Å
108	L	98.3	Very high	97.1	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.016	24%	0.238	C	C	.	.	S	Bend	trans	-91.4	123.9	177	-59.7	-177.7	0	0	0	110.6	V99 M102 M143 Q146 M151 L170	V99-L108 HydrophobicContact CG1-CD1 4.14Å; V99-L108 WeakPolarHBondContact O-CD1 3.41Å; M102-L108 HydrophobicContact CB-CD1 4.35Å; M102-L108 HydrophobicContact CB-CD2 3.86Å; M102-L108 HydrophobicContact CB-CG 4.03Å; M102-L108 HydrophobicContact SD-CD2 4.46Å; L108-M143 HydrophobicContact CD2-CG 4.11Å; L108-Q146 HydrophobicContact CB-CG 4.42Å; L108-Q146 HydrophobicContact CD1-CG 4.18Å; L108-Q146 HydrophobicContact CD2-CB 4.43Å; L108-Q146 HydrophobicContact CD2-CG 4.12Å; L108-Q146 HydrophobicContact CG-CG 4.47Å; L108-M151 HydrophobicContact CB-SD 4.19Å; L108-M151 WeakPolarHBondContact O-CE 3.21Å; L108-L170 WeakPolarHBondContact CD1-O 3.36Å
109	G	97.5	Very high	97.1	Very high	2 Å²	2	39.3 Å²	39.3	2%	0.021	25%	0.246	C	C	.	.	S	Bend	trans	60.7	42.7	-172.8	0	0	0	0	0	114.4	T111 I112 S147	G109-T111 VanDerWaalsContact C-N 3.29Å; G109-T111 PolarHBondContact O-N 2.85Å; G109-T111 VanDerWaalsContact O-N 3.12Å; G109-I112 WeakPolarHBondContact O-CB 3.26Å; G109-I112 PolarHBondContact O-N 3.49Å; G109-S147 PolarHBondContact N-OG 3Å
110	P	96.8	Very high	97	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-29.5	-160.5	26.4	-34.8	0	0	0	113.9	V107 I112 G119 T120 Y125 I128	V107-P110 WeakPolarHBondContact O-CD 3.38Å; P110-I112 VanDerWaalsContact C-N 3.34Å; P110-G119 CarbonylContact O-C 3.52Å; P110-G119 WeakPolarHBondContact O-CA 3.24Å; P110-G119 PolarHBondContact O-N 2.7Å; P110-T120 PolarHBondContact O-N 3.46Å; P110-T120 PolarHBondContact O-OG1 2.87Å; P110-Y125 HydrophobicContact CG-CD2 3.73Å; P110-Y125 HydrophobicContact CG-CG 4.07Å; P110-I128 HydrophobicContact CB-CD1 4.12Å; P110-I128 HydrophobicContact CG-CD1 4.31Å
111	T	97.3	Very high	97	Very high	29 Å²	29	39.1 Å²	39.1	18%	0.178	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-3.7	178	58.9	0	0	0	0	114.4	G109 Y122	G109-T111 VanDerWaalsContact C-N 3.29Å; G109-T111 PolarHBondContact O-N 2.85Å; G109-T111 VanDerWaalsContact O-N 3.12Å; T111-Y122 HydrophobicContact CG2-CD1 4.16Å; T111-Y122 HydrophobicContact CG2-CD2 3.94Å; T111-Y122 HydrophobicContact CG2-CE1 4.2Å; T111-Y122 HydrophobicContact CG2-CE2 3.99Å; T111-Y122 HydrophobicContact CG2-CG 4.03Å
112	I	98.1	Very high	97	Very high	5 Å²	5	39.4 Å²	39.4	3%	0.026	24%	0.244	C	C	.	.			trans	-78.6	133.8	176.9	-64.1	173.9	0	0	0	109.1	G109 P110 Y115 C117 G119 M151 N155	G109-I112 WeakPolarHBondContact O-CB 3.26Å; G109-I112 PolarHBondContact O-N 3.49Å; P110-I112 VanDerWaalsContact C-N 3.34Å; I112-Y115 HydrophobicContact CG2-CD2 4.2Å; I112-C117 HydrophobicContact CB-CB 3.73Å; I112-C117 HydrophobicContact CG2-CB 3.92Å; I112-C117 WeakPolarHBondContact O-CB 3.45Å; I112-G119 VanDerWaalsContact O-CA 3.23Å; I112-G119 WeakPolarHBondContact O-CA 3.23Å; I112-G119 PolarHBondContact O-N 3.27Å; I112-G119 VanDerWaalsContact O-N 3.08Å; I112-M151 HydrophobicContact CD1-CB 3.62Å; I112-M151 HydrophobicContact CD1-CE 4.45Å; I112-N155 HydrophobicContact CD1-CB 4.14Å; I112-N155 HydrophobicContact CG1-CB 4.46Å
113	K	96.6	Very high	97	Very high	159 Å²	159	39.3 Å²	39.3	69%	0.691	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-99.4	130	179	-59.2	-166.7	175.9	-161.6	0	110.2	G119	K113-G119 WeakPolarHBondContact CE-O 3.31Å
114	G	97.2	Very high	97.1	Very high	45 Å²	45	38.9 Å²	38.9	46%	0.464	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	81.7	-167.5	-173.5	0	0	0	0	0	112.9	G116 C117	G114-G116 PolarHBondContact O-N 3.38Å; G114-C117 WeakPolarHBondContact O-CB 3.49Å; G114-C117 PolarHBondContact O-N 2.87Å
115	Y	97.8	Very high	97.2	Very high	46 Å²	46	31.1 Å²	31.1	18%	0.18	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	20.9	178	-45.8	-84.1	0	0	0	115.7	I112 C117 E160 K163 Q164 L167 P168	I112-Y115 HydrophobicContact CG2-CD2 4.2Å; Y115-C117 VanDerWaalsContact C-N 3.32Å; Y115-E160 WeakPolarHBondContact CE1-OE1 3.46Å; Y115-E160 VanDerWaalsContact OH-CD 3.24Å; Y115-E160 PolarHBondContact OH-OE1 2.88Å; Y115-E160 PolarHBondContact OH-OE2 3.16Å; Y115-K163 HydrophobicContact CD1-CB 4.04Å; Y115-K163 HydrophobicContact CE1-CB 3.5Å; Y115-K163 HydrophobicContact CE1-CD 3.97Å; Y115-K163 HydrophobicContact CE1-CG 4.41Å; Y115-K163 HydrophobicContact CE2-CD 4.09Å; Y115-K163 WeakPolarHBondContact OH-CD 3.04Å; Y115-Q164 HydrophobicContact CE1-CG 4.46Å; Y115-Q164 VanDerWaalsContact CE1-NE2 3.31Å; Y115-L167 HydrophobicContact CD1-CB 4.45Å; Y115-L167 HydrophobicContact CD1-CD1 4.21Å; Y115-L167 HydrophobicContact CD2-CD1 3.88Å; Y115-L167 HydrophobicContact CE2-CD1 4.32Å; Y115-L167 HydrophobicContact CG-CB 4.14Å; Y115-L167 HydrophobicContact CG-CD1 3.83Å; Y115-P168 VanDerWaalsContact O-CA 3.27Å; Y115-P168 WeakPolarHBondContact O-CA 3.39Å
116	G	95.4	Very high	97.3	Very high	67 Å²	67	27.3 Å²	27.3	69%	0.691	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.2	10.8	-174.1	0	0	0	0	0	114.9	G114	G114-G116 PolarHBondContact O-N 3.38Å
117	C	97.6	Very high	97.5	Very high	15 Å²	15	25.9 Å²	25.9	10%	0.101	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	151.5	172.6	-56.6	0	0	0	0	110.7	I112 G114 Y115 M151	I112-C117 HydrophobicContact CB-CB 3.73Å; I112-C117 HydrophobicContact CG2-CB 3.92Å; I112-C117 WeakPolarHBondContact O-CB 3.45Å; G114-C117 WeakPolarHBondContact O-CB 3.49Å; G114-C117 PolarHBondContact O-N 2.87Å; Y115-C117 VanDerWaalsContact C-N 3.32Å; C117-M151 WeakPolarHBondContact SG-CE 3.32Å
118	A	95.3	Very high	97.5	Very high	64 Å²	64	25.7 Å²	25.7	53%	0.529	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	-33.8	-171	0	0	0	0	0	115.1	T120	A118-T120 HydrophobicContact CB-CG2 3.76Å
119	G	96.3	Very high	97.6	Very high	17 Å²	17	25.6 Å²	25.6	18%	0.175	17%	0.167	C	C	.	.			trans	80.9	22.3	177.3	0	0	0	0	0	116.3	P110 I112 K113	P110-G119 CarbonylContact O-C 3.52Å; P110-G119 WeakPolarHBondContact O-CA 3.24Å; P110-G119 PolarHBondContact O-N 2.7Å; I112-G119 VanDerWaalsContact O-CA 3.23Å; I112-G119 WeakPolarHBondContact O-CA 3.23Å; I112-G119 PolarHBondContact O-N 3.27Å; I112-G119 VanDerWaalsContact O-N 3.08Å; K113-G119 WeakPolarHBondContact CE-O 3.31Å
120	T	96.1	Very high	97.6	Very high	14 Å²	14	26.4 Å²	26.4	9%	0.086	17%	0.17	C	C	.	.			trans	-69.1	172.6	-171.8	72.6	0	0	0	0	113.9	I69 P110 A118	I69-T120 HydrophobicContact CD1-CG2 3.76Å; P110-T120 PolarHBondContact O-N 3.46Å; P110-T120 PolarHBondContact O-OG1 2.87Å; A118-T120 HydrophobicContact CB-CG2 3.76Å
121	S	97.4	Very high	97.7	Very high	24 Å²	24	26.3 Å²	26.3	17%	0.168	17%	0.169	C	C	.	.			trans	-63.2	160.9	167.1	71.2	0	0	0	0	112.6	E66 V123 A124 Y125	E66-S121 WeakPolarHBondContact OE1-CB 3.29Å; E66-S121 PolarHBondContact OE1-OG 2.71Å; S121-V123 VanDerWaalsContact C-N 3.27Å; S121-V123 PolarHBondContact OG-N 3.15Å; S121-A124 PolarHBondContact O-N 3.24Å; S121-A124 PolarHBondContact OG-N 2.96Å; S121-Y125 PolarHBondContact O-N 2.86Å
122	Y	98.1	Very high	97.8	Very high	44 Å²	44	25 Å²	25	17%	0.173	16%	0.161	C	C	.	.	H	α-helix	trans	-68.2	-28.5	169	-84.6	-97.3	0	0	0	112	T111 Y125 G126 N294 Y297 I360 D361	T111-Y122 HydrophobicContact CG2-CD1 4.16Å; T111-Y122 HydrophobicContact CG2-CD2 3.94Å; T111-Y122 HydrophobicContact CG2-CE1 4.2Å; T111-Y122 HydrophobicContact CG2-CE2 3.99Å; T111-Y122 HydrophobicContact CG2-CG 4.03Å; Y122-Y125 HydrophobicContact CD1-CD1 4.38Å; Y122-Y125 PolarHBondContact O-N 3.46Å; Y122-G126 PolarHBondContact O-N 2.91Å; Y122-N294 WeakPolarHBondContact CE1-OD1 3.23Å; Y122-N294 PolarHBondContact OH-OD1 3.34Å; Y122-Y297 VanDerWaalsContact C-OH 3.23Å; Y122-Y297 HydrophobicContact CD1-CD1 4.08Å; Y122-Y297 HydrophobicContact CD1-CE1 4.04Å; Y122-Y297 WeakPolarHBondContact O-CE1 3.34Å; Y122-Y297 PolarHBondContact O-OH 2.96Å; Y122-I360 HydrophobicContact CD1-CB 4.4Å; Y122-I360 HydrophobicContact CD1-CD1 4.31Å; Y122-I360 HydrophobicContact CD1-CG2 3.66Å; Y122-I360 HydrophobicContact CD2-CB 4.39Å; Y122-I360 HydrophobicContact CD2-CG2 3.55Å; Y122-I360 HydrophobicContact CE1-CG2 3.8Å; Y122-I360 HydrophobicContact CE2-CG2 3.7Å; Y122-I360 HydrophobicContact CG-CB 4.1Å; Y122-I360 HydrophobicContact CG-CG2 3.53Å; Y122-D361 WeakPolarHBondContact CD2-OD1 3.41Å; Y122-D361 PolarHBondContact N-OD1 3.41Å; Y122-D361 PolarHBondContact N-OD2 2.82Å
123	V	98.7	Very high	97.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-63.4	-42.7	173.6	172.7	0	0	0	0	111	L62 E66 S121 Y125 G126 L127 W301 L354 R358	L62-V123 HydrophobicContact CD2-CG1 3.68Å; E66-V123 HydrophobicContact CG-CG1 4.32Å; E66-V123 WeakPolarHBondContact OE1-CB 3.41Å; S121-V123 VanDerWaalsContact C-N 3.27Å; S121-V123 PolarHBondContact OG-N 3.15Å; V123-Y125 PolarHBondContact O-N 3.37Å; V123-G126 WeakPolarHBondContact O-CA 3.37Å; V123-G126 PolarHBondContact O-N 2.66Å; V123-G126 VanDerWaalsContact O-N 3.1Å; V123-L127 HydrophobicContact CG1-CD1 4.26Å; V123-L127 WeakPolarHBondContact O-CG 3.21Å; V123-L127 PolarHBondContact O-N 3.45Å; V123-W301 HydrophobicContact CG1-CZ2 4.36Å; V123-L354 HydrophobicContact CB-CD1 4.37Å; V123-L354 HydrophobicContact CG1-CD1 3.54Å; V123-L354 HydrophobicContact CG2-CD1 3.85Å; V123-R358 HydrophobicContact CG2-CG 4.35Å
124	A	98.6	Very high	97.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-59.3	-43.6	173.2	0	0	0	0	0	112.3	E66 I69 S121 G126 L127 I128	E66-A124 HydrophobicContact CG-CB 4.1Å; I69-A124 HydrophobicContact CD1-CB 3.94Å; I69-A124 HydrophobicContact CG2-CB 4.45Å; S121-A124 PolarHBondContact O-N 3.24Å; S121-A124 PolarHBondContact OG-N 2.96Å; A124-G126 VanDerWaalsContact C-N 3.3Å; A124-G126 PolarHBondContact O-N 3.43Å; A124-L127 PolarHBondContact O-N 2.77Å; A124-I128 VanDerWaalsContact O-CG1 3.28Å; A124-I128 WeakPolarHBondContact O-CG1 3.39Å; A124-I128 PolarHBondContact O-N 2.88Å
125	Y	98.7	Very high	98	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.008	11%	0.109	C	C	.	.	H	α-helix	trans	-59.7	-39.6	173.2	171.7	-136.4	0	0	0	112.5	P110 S121 Y122 V123 I128 A129 M143 S148 Y297	P110-Y125 HydrophobicContact CG-CD2 3.73Å; P110-Y125 HydrophobicContact CG-CG 4.07Å; S121-Y125 PolarHBondContact O-N 2.86Å; Y122-Y125 HydrophobicContact CD1-CD1 4.38Å; Y122-Y125 PolarHBondContact O-N 3.46Å; V123-Y125 PolarHBondContact O-N 3.37Å; Y125-I128 PolarHBondContact O-N 3.26Å; Y125-A129 WeakPolarHBondContact O-CB 3.48Å; Y125-A129 PolarHBondContact O-N 3.35Å; Y125-M143 HydrophobicContact CE2-CE 4.14Å; Y125-S148 PolarHBondContact OH-OG 3.48Å; Y125-Y297 AromaticContact CD1-CD1 3.9Å; Y125-Y297 HydrophobicContact CD1-CD1 3.9Å; Y125-Y297 AromaticContact CD1-CE1 4Å; Y125-Y297 HydrophobicContact CD1-CE1 4Å; Y125-Y297 HydrophobicContact CE1-CD1 4.05Å
126	G	98.8	Very high	98.1	Very high	0 Å²	0	14 Å²	14	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-61	-46.8	173.8	0	0	0	0	0	112.9	Y122 V123 A124 A129 R130 W301	Y122-G126 PolarHBondContact O-N 2.91Å; V123-G126 WeakPolarHBondContact O-CA 3.37Å; V123-G126 PolarHBondContact O-N 2.66Å; V123-G126 VanDerWaalsContact O-N 3.1Å; A124-G126 VanDerWaalsContact C-N 3.3Å; A124-G126 PolarHBondContact O-N 3.43Å; G126-A129 PolarHBondContact O-N 2.92Å; G126-R130 PolarHBondContact O-N 2.6Å; G126-W301 VanDerWaalsContact O-CB 3.27Å; G126-W301 WeakPolarHBondContact O-CB 3.1Å
127	L	98.9	Very high	98.2	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-62.7	-43.9	176.8	-67.2	169.3	0	0	0	112.2	L62 E66 R70 V123 A124 A129 R130 E131 W301	L62-L127 HydrophobicContact CD1-CD1 3.76Å; L62-L127 HydrophobicContact CD1-CD2 4.1Å; L62-L127 HydrophobicContact CD2-CD1 3.86Å; L62-L127 HydrophobicContact CG-CD1 4.41Å; E66-L127 HydrophobicContact CB-CD1 3.85Å; R70-L127 HydrophobicContact CB-CB 4.14Å; R70-L127 HydrophobicContact CB-CD1 4.29Å; R70-L127 HydrophobicContact CG-CB 4.32Å; R70-L127 HydrophobicContact CG-CD2 4.47Å; V123-L127 HydrophobicContact CG1-CD1 4.26Å; V123-L127 WeakPolarHBondContact O-CG 3.21Å; V123-L127 PolarHBondContact O-N 3.45Å; A124-L127 PolarHBondContact O-N 2.77Å; L127-A129 VanDerWaalsContact C-N 3.33Å; L127-A129 PolarHBondContact O-N 3.09Å; L127-R130 WeakPolarHBondContact O-CB 3.46Å; L127-R130 PolarHBondContact O-N 3.32Å; L127-E131 WeakPolarHBondContact O-CG 3.11Å; L127-E131 PolarHBondContact O-N 3.21Å; L127-W301 HydrophobicContact CD2-CH2 4.06Å; L127-W301 HydrophobicContact CD2-CZ3 3.75Å; L127-W301 HydrophobicContact CG-CH2 4.43Å; L127-W301 HydrophobicContact CG-CZ3 4.41Å
128	I	98.8	Very high	98.3	Very high	3 Å²	3	10.1 Å²	10.1	2%	0.015	6%	0.063	C	C	.	.	H	α-helix	trans	-54.2	-51.9	172.5	-68.4	165.9	0	0	0	109.5	I69 F73 V107 P110 A124 Y125 R130 E131 V132 M143	I69-I128 HydrophobicContact CG2-CD1 3.72Å; I69-I128 HydrophobicContact CG2-CG1 3.65Å; F73-I128 HydrophobicContact CD1-CB 4.17Å; F73-I128 HydrophobicContact CD1-CG1 4.41Å; F73-I128 HydrophobicContact CD1-CG2 3.7Å; F73-I128 HydrophobicContact CE1-CB 4.36Å; F73-I128 HydrophobicContact CE1-CG2 3.47Å; F73-I128 VanDerWaalsContact CE1-CG2 3.47Å; F73-I128 WeakPolarHBondContact CE1-O 3.43Å; F73-I128 HydrophobicContact CG-CG2 4.4Å; F73-I128 HydrophobicContact CZ-CG2 4.04Å; V107-I128 HydrophobicContact CB-CD1 4.16Å; V107-I128 HydrophobicContact CB-CG2 3.95Å; V107-I128 HydrophobicContact CG1-CD1 3.9Å; V107-I128 HydrophobicContact CG1-CG1 4.24Å; V107-I128 HydrophobicContact CG1-CG2 4.17Å; P110-I128 HydrophobicContact CB-CD1 4.12Å; P110-I128 HydrophobicContact CG-CD1 4.31Å; A124-I128 VanDerWaalsContact O-CG1 3.28Å; A124-I128 WeakPolarHBondContact O-CG1 3.39Å; A124-I128 PolarHBondContact O-N 2.88Å; Y125-I128 PolarHBondContact O-N 3.26Å; I128-R130 PolarHBondContact O-N 3.46Å; I128-E131 PolarHBondContact O-N 2.96Å; I128-V132 WeakPolarHBondContact O-CG1 3.35Å; I128-V132 PolarHBondContact O-N 2.87Å; I128-V132 VanDerWaalsContact O-N 3.13Å; I128-M143 HydrophobicContact CG2-CE 3.81Å; I128-M143 HydrophobicContact CG2-SD 3.52Å; I128-M143 VanDerWaalsContact CG2-SD 3.52Å
129	A	98.9	Very high	98.5	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-60.8	-39.8	-179.4	0	0	0	0	0	113.5	Y125 G126 L127 V132 E133 R140 M143 G298 G302	Y125-A129 WeakPolarHBondContact O-CB 3.48Å; Y125-A129 PolarHBondContact O-N 3.35Å; G126-A129 PolarHBondContact O-N 2.92Å; L127-A129 VanDerWaalsContact C-N 3.33Å; L127-A129 PolarHBondContact O-N 3.09Å; A129-V132 WeakPolarHBondContact O-CG1 3.01Å; A129-E133 WeakPolarHBondContact O-CB 3.21Å; A129-E133 PolarHBondContact O-N 2.93Å; A129-E133 VanDerWaalsContact O-N 3.07Å; A129-R140 HydrophobicContact CB-CG 4.24Å; A129-M143 HydrophobicContact CB-CE 4.1Å; A129-G298 VanDerWaalsContact CB-O 3.3Å; A129-G298 WeakPolarHBondContact CB-O 3.46Å; A129-G302 WeakPolarHBondContact O-CA 3.32Å
130	R	98.9	Very high	98.6	Very high	19 Å²	19	6.3 Å²	6.3	7%	0.072	3%	0.029	C	C	.	.	H	α-helix	trans	-58.6	-46.7	173.3	174.5	179.5	172.1	-127.9	25.6	111.9	G126 L127 I128 R134 W301 E308	G126-R130 PolarHBondContact O-N 2.6Å; L127-R130 WeakPolarHBondContact O-CB 3.46Å; L127-R130 PolarHBondContact O-N 3.32Å; I128-R130 PolarHBondContact O-N 3.46Å; R130-R134 WeakPolarHBondContact O-CB 3.45Å; R130-R134 PolarHBondContact O-N 3.35Å; R130-W301 HydrophobicContact CB-CE3 4.41Å; R130-E308 IonicContact CZ-OE1 3.5Å; R130-E308 VanDerWaalsContact CZ-OE1 3.3Å; R130-E308 IonicContact CZ-OE2 3.71Å; R130-E308 IonicContact NE-OE1 3.89Å; R130-E308 PolarHBondContact NE-OE1 2.76Å; R130-E308 VanDerWaalsContact NE-OE1 3.09Å; R130-E308 IonicContact NE-OE2 2.72Å; R130-E308 PolarHBondContact NE-OE2 2.86Å; R130-E308 IonicContact NH2-OE1 3.99Å; R130-E308 PolarHBondContact NH2-OE1 2.75Å; R130-E308 IonicContact NH2-OE2 2.81Å
131	E	98.9	Very high	98.7	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-76	-29.4	-174.9	-59	-55.4	142.8	0	0	113.6	R70 F73 R74 L127 I128 R134	R70-E131 HydrophobicContact CG-CG 3.89Å; F73-E131 HydrophobicContact CD1-CB 4.34Å; R74-E131 HydrophobicContact CB-CB 4.34Å; R74-E131 HydrophobicContact CB-CG 4.14Å; R74-E131 IonicContact CZ-OE1 3.92Å; R74-E131 IonicContact CZ-OE2 2.63Å; R74-E131 VanDerWaalsContact NE-CD 3.33Å; R74-E131 IonicContact NE-OE1 2.66Å; R74-E131 IonicContact NE-OE2 3.72Å; R74-E131 PolarHBondContact NE-OE2 3.1Å; R74-E131 VanDerWaalsContact NH2-CD 3.33Å; R74-E131 IonicContact NH2-OE1 2.66Å; R74-E131 PolarHBondContact NH2-OE1 3.44Å; R74-E131 IonicContact NH2-OE2 3.4Å; R74-E131 PolarHBondContact NH2-OE2 3.33Å; L127-E131 WeakPolarHBondContact O-CG 3.11Å; L127-E131 PolarHBondContact O-N 3.21Å; I128-E131 PolarHBondContact O-N 2.96Å; E131-R134 IonicContact OE1-CZ 3.15Å; E131-R134 IonicContact OE1-NE 2.77Å; E131-R134 IonicContact OE1-NH2 2.66Å; E131-R134 PolarHBondContact OE1-NH2 2.73Å; E131-R134 IonicContact OE2-CZ 3.31Å; E131-R134 IonicContact OE2-NE 3.09Å; E131-R134 PolarHBondContact OE2-NE 2.66Å; E131-R134 IonicContact OE2-NH2 3.72Å; E131-R134 PolarHBondContact OE2-NH2 2.83Å
132	V	98.8	Very high	98.7	Very high	0 Å²	0	5 Å²	5	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-75.7	-39.2	170.7	57.3	0	0	0	0	112.9	F73 L81 M102 I128 A129 R134 V135 D136 R140 M143	F73-V132 HydrophobicContact CE1-CB 3.78Å; F73-V132 HydrophobicContact CE1-CG1 4.1Å; F73-V132 HydrophobicContact CZ-CB 4.1Å; L81-V132 HydrophobicContact CD1-CG2 3.96Å; M102-V132 HydrophobicContact CE-CG2 3.89Å; I128-V132 WeakPolarHBondContact O-CG1 3.35Å; I128-V132 PolarHBondContact O-N 2.87Å; I128-V132 VanDerWaalsContact O-N 3.13Å; A129-V132 WeakPolarHBondContact O-CG1 3.01Å; V132-R134 VanDerWaalsContact C-N 3.32Å; V132-R134 PolarHBondContact O-N 3.31Å; V132-V135 CarbonylContact O-C 3.41Å; V132-V135 WeakPolarHBondContact O-CA 3.47Å; V132-V135 WeakPolarHBondContact O-CB 3.47Å; V132-V135 PolarHBondContact O-N 3.34Å; V132-D136 PolarHBondContact O-N 2.9Å; V132-R140 HydrophobicContact CG1-CB 3.72Å; V132-R140 HydrophobicContact CG1-CG 3.68Å; V132-R140 HydrophobicContact CG2-CB 4.32Å; V132-M143 HydrophobicContact CG1-CE 3.91Å; V132-M143 HydrophobicContact CG1-SD 3.99Å
133	E	98.9	Very high	98.7	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-76.4	-19.7	178.9	-176.7	153.8	-149.2	0	0	113.4	A129 V135 D136 S137 R140 G302 S303 A306 H406	A129-E133 WeakPolarHBondContact O-CB 3.21Å; A129-E133 PolarHBondContact O-N 2.93Å; A129-E133 VanDerWaalsContact O-N 3.07Å; E133-V135 PolarHBondContact O-N 3.46Å; E133-D136 PolarHBondContact O-N 2.89Å; E133-S137 WeakPolarHBondContact OE1-CA 3.29Å; E133-S137 WeakPolarHBondContact OE1-CB 3.4Å; E133-S137 PolarHBondContact OE1-OG 2.78Å; E133-R140 HydrophobicContact CB-CB 3.81Å; E133-R140 HydrophobicContact CB-CG 3.96Å; E133-R140 IonicContact OE1-CZ 2.7Å; E133-R140 IonicContact OE1-NE 3.36Å; E133-R140 IonicContact OE1-NH2 2.76Å; E133-R140 PolarHBondContact OE1-NH2 3.08Å; E133-R140 IonicContact OE2-CZ 3.29Å; E133-R140 IonicContact OE2-NE 3.51Å; E133-R140 PolarHBondContact OE2-NE 2.89Å; E133-R140 IonicContact OE2-NH2 3.79Å; E133-R140 PolarHBondContact OE2-NH2 3Å; E133-G302 VanDerWaalsContact CB-O 3.28Å; E133-G302 WeakPolarHBondContact CB-O 3.24Å; E133-G302 WeakPolarHBondContact CG-O 3.47Å; E133-G302 WeakPolarHBondContact OE2-CA 3.29Å; E133-S303 PolarHBondContact OE2-N 3.41Å; E133-S303 VanDerWaalsContact OE2-N 3.08Å; E133-A306 HydrophobicContact CG-CB 3.91Å; E133-H406 PolarHBondContact O-CE1 2.86Å
134	R	98.9	Very high	98.7	Very high	25 Å²	25	3 Å²	3	9%	0.094	1%	0.013	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-32.4	160.6	-175.7	-172.8	-48.5	-57.1	1.5	112.2	R130 E131 V132 G305 E308 F309 H406	R130-R134 WeakPolarHBondContact O-CB 3.45Å; R130-R134 PolarHBondContact O-N 3.35Å; E131-R134 IonicContact OE1-CZ 3.15Å; E131-R134 IonicContact OE1-NE 2.77Å; E131-R134 IonicContact OE1-NH2 2.66Å; E131-R134 PolarHBondContact OE1-NH2 2.73Å; E131-R134 IonicContact OE2-CZ 3.31Å; E131-R134 IonicContact OE2-NE 3.09Å; E131-R134 PolarHBondContact OE2-NE 2.66Å; E131-R134 IonicContact OE2-NH2 3.72Å; E131-R134 PolarHBondContact OE2-NH2 2.83Å; V132-R134 VanDerWaalsContact C-N 3.32Å; V132-R134 PolarHBondContact O-N 3.31Å; R134-G305 WeakPolarHBondContact CA-O 3.42Å; R134-G305 PolarHBondContact NH1-O 2.87Å; R134-E308 IonicContact CZ-OE2 2.71Å; R134-E308 VanDerWaalsContact NH1-CB 3.29Å; R134-E308 IonicContact NH1-OE2 3.35Å; R134-E308 PolarHBondContact NH1-OE2 2.66Å; R134-E308 IonicContact NH2-OE2 3.76Å; R134-E308 PolarHBondContact NH2-OE2 2.81Å; R134-F309 HydrophobicContact CG-CB 4.24Å; R134-F309 HydrophobicContact CG-CD2 4.47Å; R134-F309 WeakPolarHBondContact O-CD2 3.07Å; R134-H406 PolarHBondContact O-CE1 2.9Å
135	V	98.9	Very high	98.7	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.015	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-62.5	169.4	178.7	0	0	0	0	110.3	C77 L81 M82 I85 V132 E133 Y139 R405 H406	C77-V135 HydrophobicContact CB-CG2 3.9Å; L81-V135 HydrophobicContact CB-CB 4.44Å; L81-V135 HydrophobicContact CB-CG1 3.87Å; L81-V135 HydrophobicContact CB-CG2 4.45Å; M82-V135 HydrophobicContact CB-CG1 4.35Å; M82-V135 HydrophobicContact CB-CG2 4.28Å; M82-V135 HydrophobicContact SD-CB 4.45Å; M82-V135 HydrophobicContact SD-CG1 3.93Å; M82-V135 HydrophobicContact SD-CG2 4.27Å; I85-V135 HydrophobicContact CB-CG1 4.29Å; I85-V135 HydrophobicContact CG2-CG1 4.27Å; V132-V135 CarbonylContact O-C 3.41Å; V132-V135 WeakPolarHBondContact O-CA 3.47Å; V132-V135 WeakPolarHBondContact O-CB 3.47Å; V132-V135 PolarHBondContact O-N 3.34Å; E133-V135 PolarHBondContact O-N 3.46Å; V135-Y139 HydrophobicContact CG1-CD2 4.1Å; V135-Y139 HydrophobicContact CG1-CE2 4.1Å; V135-R405 PolarHBondContact O-NH1 2.91Å; V135-R405 PolarHBondContact O-NH2 2.87Å; V135-H406 PolarHBondContact O-CE1 3.37Å; V135-H406 PolarHBondContact O-NE2 3.09Å
136	D	98.9	Very high	98.7	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.015	C	C	.	.			trans	-158.8	135.9	178.7	-160	-96.6	0	0	0	114.9	I85 V132 E133 G138 Y139 R140 R405 N409	I85-D136 HydrophobicContact CD1-CB 3.51Å; I85-D136 WeakPolarHBondContact CD1-OD2 3.44Å; I85-D136 HydrophobicContact CG1-CB 3.85Å; V132-D136 PolarHBondContact O-N 2.9Å; E133-D136 PolarHBondContact O-N 2.89Å; D136-G138 PolarHBondContact O-N 3.4Å; D136-G138 VanDerWaalsContact OD1-CA 3.26Å; D136-G138 WeakPolarHBondContact OD1-CA 3.22Å; D136-G138 PolarHBondContact OD1-N 2.86Å; D136-Y139 HydrophobicContact CB-CD2 3.9Å; D136-Y139 HydrophobicContact CB-CE2 4.35Å; D136-Y139 HydrophobicContact CB-CG 4.23Å; D136-Y139 PolarHBondContact O-N 2.97Å; D136-R140 PolarHBondContact O-N 2.96Å; D136-R140 VanDerWaalsContact O-N 3.14Å; D136-R405 WeakPolarHBondContact OD2-CD 3.27Å; D136-R405 IonicContact OD2-CZ 2.68Å; D136-R405 IonicContact OD2-NE 3.1Å; D136-R405 IonicContact OD2-NH1 2.76Å; D136-R405 PolarHBondContact OD2-NH1 3.05Å; D136-N409 VanDerWaalsContact CG-ND2 3.33Å; D136-N409 PolarHBondContact OD1-ND2 3.11Å; D136-N409 PolarHBondContact OD2-ND2 3.5Å
137	S	98.9	Very high	98.7	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-59	-30.4	173.9	-54.6	0	0	0	0	114	E133 S141 L258	E133-S137 WeakPolarHBondContact OE1-CA 3.29Å; E133-S137 WeakPolarHBondContact OE1-CB 3.4Å; E133-S137 PolarHBondContact OE1-OG 2.78Å; S137-S141 VanDerWaalsContact O-CB 3.3Å; S137-S141 WeakPolarHBondContact O-CB 3.35Å; S137-S141 PolarHBondContact O-N 3.26Å; S137-L258 VanDerWaalsContact CB-CD2 3.47Å
138	G	98.6	Very high	98.7	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-66.5	-46.8	176.2	0	0	0	0	0	111.9	D136 S141 V142	D136-G138 PolarHBondContact O-N 3.4Å; D136-G138 VanDerWaalsContact OD1-CA 3.26Å; D136-G138 WeakPolarHBondContact OD1-CA 3.22Å; D136-G138 PolarHBondContact OD1-N 2.86Å; G138-S141 WeakPolarHBondContact O-CB 3.36Å; G138-S141 PolarHBondContact O-N 2.73Å; G138-S141 VanDerWaalsContact O-N 3.16Å; G138-V142 WeakPolarHBondContact O-CG2 3.17Å; G138-V142 PolarHBondContact O-N 3.48Å; G138-V142 VanDerWaalsContact O-N 3.1Å
139	Y	98.8	Very high	98.6	Very high	1 Å²	1	4 Å²	4	0%	0.004	2%	0.02	C	C	.	.	H	α-helix	trans	-62.9	-42.7	174.6	-62.1	-24.5	0	0	0	111.4	L81 I85 I98 V135 D136 S141 V142 M143 A260	L81-Y139 HydrophobicContact CB-CD2 3.98Å; L81-Y139 HydrophobicContact CB-CE2 3.9Å; L81-Y139 HydrophobicContact CD1-CD2 4.12Å; L81-Y139 HydrophobicContact CD2-CD2 4.38Å; L81-Y139 HydrophobicContact CD2-CE2 4.44Å; L81-Y139 HydrophobicContact CG-CD2 4.4Å; I85-Y139 HydrophobicContact CB-CE2 4.1Å; I85-Y139 HydrophobicContact CD1-CD2 4.48Å; I85-Y139 HydrophobicContact CD1-CE1 4.28Å; I85-Y139 HydrophobicContact CD1-CE2 3.78Å; I85-Y139 HydrophobicContact CG1-CE2 4.34Å; I98-Y139 HydrophobicContact CD1-CD1 4.04Å; I98-Y139 HydrophobicContact CD1-CE1 3.58Å; I98-Y139 HydrophobicContact CD1-CE2 4.44Å; V135-Y139 HydrophobicContact CG1-CD2 4.1Å; V135-Y139 HydrophobicContact CG1-CE2 4.1Å; D136-Y139 HydrophobicContact CB-CD2 3.9Å; D136-Y139 HydrophobicContact CB-CE2 4.35Å; D136-Y139 HydrophobicContact CB-CG 4.23Å; D136-Y139 PolarHBondContact O-N 2.97Å; Y139-S141 VanDerWaalsContact C-N 3.3Å; Y139-S141 PolarHBondContact O-N 3.29Å; Y139-V142 PolarHBondContact O-N 3.4Å; Y139-M143 PolarHBondContact O-N 3.29Å; Y139-A260 HydrophobicContact CE1-CB 3.93Å
140	R	98.8	Very high	98.6	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-63.1	-35.5	173.3	-165.9	-86.8	-55.9	113.2	12.8	112	A129 V132 E133 D136 M143 S144 Y416	A129-R140 HydrophobicContact CB-CG 4.24Å; V132-R140 HydrophobicContact CG1-CB 3.72Å; V132-R140 HydrophobicContact CG1-CG 3.68Å; V132-R140 HydrophobicContact CG2-CB 4.32Å; E133-R140 HydrophobicContact CB-CB 3.81Å; E133-R140 HydrophobicContact CB-CG 3.96Å; E133-R140 IonicContact OE1-CZ 2.7Å; E133-R140 IonicContact OE1-NE 3.36Å; E133-R140 IonicContact OE1-NH2 2.76Å; E133-R140 PolarHBondContact OE1-NH2 3.08Å; E133-R140 IonicContact OE2-CZ 3.29Å; E133-R140 IonicContact OE2-NE 3.51Å; E133-R140 PolarHBondContact OE2-NE 2.89Å; E133-R140 IonicContact OE2-NH2 3.79Å; E133-R140 PolarHBondContact OE2-NH2 3Å; D136-R140 PolarHBondContact O-N 2.96Å; D136-R140 VanDerWaalsContact O-N 3.14Å; R140-M143 HydrophobicContact CG-CE 4.46Å; R140-M143 PolarHBondContact O-N 3.49Å; R140-S144 WeakPolarHBondContact CD-OG 3.33Å; R140-S144 WeakPolarHBondContact O-CB 3.49Å; R140-S144 PolarHBondContact O-N 3.43Å; R140-S144 PolarHBondContact O-OG 3.42Å; R140-Y416 PolarHBondContact NH1-OH 2.77Å; R140-Y416 PolarHBondContact NH2-OH 3.36Å
141	S	98.4	Very high	98.6	Very high	4 Å²	4	3.1 Å²	3.1	3%	0.028	2%	0.016	C	C	.	.	H	α-helix	trans	-62.9	-42.9	176.1	-173.2	0	0	0	0	112	S137 G138 Y139 M143 S144 V145	S137-S141 VanDerWaalsContact O-CB 3.3Å; S137-S141 WeakPolarHBondContact O-CB 3.35Å; S137-S141 PolarHBondContact O-N 3.26Å; G138-S141 WeakPolarHBondContact O-CB 3.36Å; G138-S141 PolarHBondContact O-N 2.73Å; G138-S141 VanDerWaalsContact O-N 3.16Å; Y139-S141 VanDerWaalsContact C-N 3.3Å; Y139-S141 PolarHBondContact O-N 3.29Å; S141-M143 VanDerWaalsContact C-N 3.35Å; S141-M143 PolarHBondContact O-N 2.58Å; S141-S144 PolarHBondContact O-N 3.14Å; S141-V145 WeakPolarHBondContact O-CB 3.24Å; S141-V145 VanDerWaalsContact O-CG2 3.22Å; S141-V145 WeakPolarHBondContact O-CG2 3.06Å; S141-V145 PolarHBondContact O-N 3.49Å
142	V	98.3	Very high	98.6	Very high	6 Å²	6	4.6 Å²	4.6	4%	0.036	2%	0.023	C	C	.	.	H	α-helix	trans	-58.6	-47	173.9	179.4	0	0	0	0	111.1	F94 V99 G138 Y139 V145 Q146 L176 N217	F94-V142 HydrophobicContact CD2-CG2 4.23Å; F94-V142 HydrophobicContact CE2-CB 4.43Å; F94-V142 HydrophobicContact CE2-CG1 4.07Å; F94-V142 HydrophobicContact CE2-CG2 3.71Å; F94-V142 HydrophobicContact CZ-CG1 4.09Å; F94-V142 HydrophobicContact CZ-CG2 4.35Å; V99-V142 HydrophobicContact CG2-CG1 4.04Å; G138-V142 WeakPolarHBondContact O-CG2 3.17Å; G138-V142 PolarHBondContact O-N 3.48Å; G138-V142 VanDerWaalsContact O-N 3.1Å; Y139-V142 PolarHBondContact O-N 3.4Å; V142-V145 PolarHBondContact O-N 3.3Å; V142-Q146 WeakPolarHBondContact O-CB 3.42Å; V142-Q146 PolarHBondContact O-N 3Å; V142-L176 HydrophobicContact CG1-CD1 4.15Å; V142-N217 WeakPolarHBondContact CG2-OD1 3.36Å
143	M	98.2	Very high	98.6	Very high	1 Å²	1	4.6 Å²	4.6	1%	0.005	2%	0.023	C	C	.	.	H	α-helix	trans	-64.7	-42.2	179.6	-168.6	-167.7	76	0	0	113.1	F73 M102 L108 Y125 I128 A129 V132 Y139 R140 S141 S147	F73-M143 HydrophobicContact CZ-SD 4.33Å; M102-M143 HydrophobicContact SD-CB 4.15Å; M102-M143 HydrophobicContact SD-CG 4.24Å; L108-M143 HydrophobicContact CD2-CG 4.11Å; Y125-M143 HydrophobicContact CE2-CE 4.14Å; I128-M143 HydrophobicContact CG2-CE 3.81Å; I128-M143 HydrophobicContact CG2-SD 3.52Å; I128-M143 VanDerWaalsContact CG2-SD 3.52Å; A129-M143 HydrophobicContact CB-CE 4.1Å; V132-M143 HydrophobicContact CG1-CE 3.91Å; V132-M143 HydrophobicContact CG1-SD 3.99Å; Y139-M143 PolarHBondContact O-N 3.29Å; R140-M143 HydrophobicContact CG-CE 4.46Å; R140-M143 PolarHBondContact O-N 3.49Å; S141-M143 VanDerWaalsContact C-N 3.35Å; S141-M143 PolarHBondContact O-N 2.58Å; M143-S147 VanDerWaalsContact O-CB 3.24Å; M143-S147 WeakPolarHBondContact O-CB 3.17Å; M143-S147 PolarHBondContact O-N 3.32Å; M143-S147 PolarHBondContact O-OG 3.37Å
144	S	98.1	Very high	98.6	Very high	1 Å²	1	4.6 Å²	4.6	1%	0.007	2%	0.023	C	C	.	.	H	α-helix	trans	-65.5	-39.5	175.6	-69	0	0	0	0	112.3	R140 S141 S148 L149	R140-S144 WeakPolarHBondContact CD-OG 3.33Å; R140-S144 WeakPolarHBondContact O-CB 3.49Å; R140-S144 PolarHBondContact O-N 3.43Å; R140-S144 PolarHBondContact O-OG 3.42Å; S141-S144 PolarHBondContact O-N 3.14Å; S144-S148 WeakPolarHBondContact O-CA 3.37Å; S144-S148 WeakPolarHBondContact O-CB 3.49Å; S144-S148 PolarHBondContact O-N 3.05Å; S144-L149 PolarHBondContact O-N 3.39Å
145	V	98.6	Very high	98.6	Very high	7 Å²	7	5.4 Å²	5.4	4%	0.042	3%	0.029	C	C	.	.	I	π-helix	trans	-64.5	-51.1	176.3	171.8	0	0	0	0	110.3	S141 V142 S147 L149 V150 T216 N217	S141-V145 WeakPolarHBondContact O-CB 3.24Å; S141-V145 VanDerWaalsContact O-CG2 3.22Å; S141-V145 WeakPolarHBondContact O-CG2 3.06Å; S141-V145 PolarHBondContact O-N 3.49Å; V142-V145 PolarHBondContact O-N 3.3Å; V145-S147 PolarHBondContact O-N 3.29Å; V145-L149 HydrophobicContact CG2-CD1 4.12Å; V145-L149 CarbonylContact O-C 3.55Å; V145-L149 WeakPolarHBondContact O-CA 3.42Å; V145-L149 WeakPolarHBondContact O-CB 3.45Å; V145-L149 PolarHBondContact O-N 2.85Å; V145-L149 VanDerWaalsContact O-N 3.16Å; V145-V150 HydrophobicContact CG1-CG2 4.44Å; V145-V150 PolarHBondContact O-N 3.22Å; V145-T216 HydrophobicContact CG2-CG2 3.9Å; V145-N217 WeakPolarHBondContact CG1-ND2 3.26Å
146	Q	98.8	Very high	98.5	Very high	1 Å²	1	7.4 Å²	7.4	1%	0.005	5%	0.046	C	C	.	.	I	π-helix	trans	-56.1	-52.8	177.5	-173.5	78.8	-16.2	0	0	111	L108 V142 M151 L170 I175	L108-Q146 HydrophobicContact CB-CG 4.42Å; L108-Q146 HydrophobicContact CD1-CG 4.18Å; L108-Q146 HydrophobicContact CD2-CB 4.43Å; L108-Q146 HydrophobicContact CD2-CG 4.12Å; L108-Q146 HydrophobicContact CG-CG 4.47Å; V142-Q146 WeakPolarHBondContact O-CB 3.42Å; V142-Q146 PolarHBondContact O-N 3Å; Q146-M151 HydrophobicContact CG-SD 4.04Å; Q146-M151 WeakPolarHBondContact O-CB 3.48Å; Q146-M151 VanDerWaalsContact O-CG 3.24Å; Q146-M151 WeakPolarHBondContact O-CG 3.32Å; Q146-M151 PolarHBondContact O-N 2.79Å; Q146-L170 PolarHBondContact NE2-O 3.4Å; Q146-I175 PolarHBondContact NE2-O 3.29Å
147	S	98.5	Very high	98.5	Very high	5 Å²	5	9.2 Å²	9.2	4%	0.035	5%	0.053	C	C	.	.	I	π-helix	trans	-76.2	-57.9	-171.7	-53.5	0	0	0	0	113.2	G109 M143 V145 H152	G109-S147 PolarHBondContact N-OG 3Å; M143-S147 VanDerWaalsContact O-CB 3.24Å; M143-S147 WeakPolarHBondContact O-CB 3.17Å; M143-S147 PolarHBondContact O-N 3.32Å; M143-S147 PolarHBondContact O-OG 3.37Å; V145-S147 PolarHBondContact O-N 3.29Å; S147-H152 WeakPolarHBondContact O-CB 3.44Å; S147-H152 PolarHBondContact O-N 2.89Å
148	S	98.1	Very high	98.4	Very high	6 Å²	6	9.2 Å²	9.2	4%	0.042	5%	0.053	C	C	.	.	I	π-helix	trans	-94.5	-18.7	-168.4	-61.5	0	0	0	0	114.1	Y125 S144 H152	Y125-S148 PolarHBondContact OH-OG 3.48Å; S144-S148 WeakPolarHBondContact O-CA 3.37Å; S144-S148 WeakPolarHBondContact O-CB 3.49Å; S144-S148 PolarHBondContact O-N 3.05Å; S148-H152 WeakPolarHBondContact O-CB 3.43Å
149	L	98.5	Very high	98.4	Very high	8 Å²	8	11 Å²	11	4%	0.042	6%	0.064	C	C	.	.	I	π-helix	trans	-112.1	-12.2	-178.9	-53.1	-179	0	0	0	113.9	S144 V145 P153 F179 C291 L292 A295	S144-L149 PolarHBondContact O-N 3.39Å; V145-L149 HydrophobicContact CG2-CD1 4.12Å; V145-L149 CarbonylContact O-C 3.55Å; V145-L149 WeakPolarHBondContact O-CA 3.42Å; V145-L149 WeakPolarHBondContact O-CB 3.45Å; V145-L149 PolarHBondContact O-N 2.85Å; V145-L149 VanDerWaalsContact O-N 3.16Å; L149-P153 WeakPolarHBondContact O-CG 3.44Å; L149-F179 HydrophobicContact CB-CB 3.69Å; L149-F179 HydrophobicContact CB-CD1 4.24Å; L149-F179 HydrophobicContact CB-CD2 3.79Å; L149-F179 HydrophobicContact CB-CE2 4.28Å; L149-F179 HydrophobicContact CB-CG 3.7Å; L149-F179 HydrophobicContact CD1-CB 4.31Å; L149-F179 HydrophobicContact CD1-CD1 4.04Å; L149-F179 HydrophobicContact CD1-CG 4.28Å; L149-F179 HydrophobicContact CD2-CD1 4.42Å; L149-F179 HydrophobicContact CD2-CE1 4.24Å; L149-F179 HydrophobicContact CD2-CE2 4.4Å; L149-F179 HydrophobicContact CD2-CZ 4.2Å; L149-F179 HydrophobicContact CG-CD1 4.48Å; L149-F179 HydrophobicContact CG-CG 4.42Å; L149-F179 WeakPolarHBondContact O-CD2 3.35Å; L149-C291 HydrophobicContact CD2-CB 3.77Å; L149-L292 HydrophobicContact CD2-CD2 4.29Å; L149-A295 HydrophobicContact CD1-CB 4.38Å; L149-A295 HydrophobicContact CD2-CB 3.75Å; L149-A295 HydrophobicContact CG-CB 4Å
150	V	98.8	Very high	98.4	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.081	C	C	.	.	I	π-helix	trans	-121.4	-59.3	175.5	177.9	0	0	0	0	112.3	V145 H152 P153 I154 L170 C178 V223 V225	V145-V150 HydrophobicContact CG1-CG2 4.44Å; V145-V150 PolarHBondContact O-N 3.22Å; V150-H152 PolarHBondContact O-N 3Å; V150-P153 WeakPolarHBondContact O-CD 3.49Å; V150-P153 WeakPolarHBondContact O-CG 3.37Å; V150-I154 HydrophobicContact CG1-CD1 4.05Å; V150-I154 WeakPolarHBondContact O-CG1 3.39Å; V150-I154 PolarHBondContact O-N 2.75Å; V150-L170 HydrophobicContact CG1-CD1 3.93Å; V150-L170 HydrophobicContact CG1-CD2 3.89Å; V150-C178 WeakPolarHBondContact CG2-O 3.27Å; V150-V223 HydrophobicContact CG1-CG2 4.32Å; V150-V225 HydrophobicContact CB-CG2 4.42Å; V150-V225 HydrophobicContact CG1-CG2 4.02Å; V150-V225 HydrophobicContact CG2-CG2 4.33Å
151	M	98.8	Very high	98.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.112	C	C	.	.	I	π-helix	trans	-64.6	-42.3	179.9	-65.7	170	75.5	0	0	111.8	L108 I112 C117 Q146 I154 N155 L167 L170 A171	L108-M151 HydrophobicContact CB-SD 4.19Å; L108-M151 WeakPolarHBondContact O-CE 3.21Å; I112-M151 HydrophobicContact CD1-CB 3.62Å; I112-M151 HydrophobicContact CD1-CE 4.45Å; C117-M151 WeakPolarHBondContact SG-CE 3.32Å; Q146-M151 HydrophobicContact CG-SD 4.04Å; Q146-M151 WeakPolarHBondContact O-CB 3.48Å; Q146-M151 VanDerWaalsContact O-CG 3.24Å; Q146-M151 WeakPolarHBondContact O-CG 3.32Å; Q146-M151 PolarHBondContact O-N 2.79Å; M151-I154 PolarHBondContact O-N 2.89Å; M151-N155 WeakPolarHBondContact O-CB 3.48Å; M151-N155 PolarHBondContact O-N 3.18Å; M151-L167 HydrophobicContact CB-CD2 3.88Å; M151-L167 HydrophobicContact CG-CD2 4.19Å; M151-L167 WeakPolarHBondContact O-CD2 3.37Å; M151-L170 HydrophobicContact CE-CB 4.22Å; M151-L170 HydrophobicContact CG-CB 3.5Å; M151-L170 HydrophobicContact CG-CD1 3.81Å; M151-L170 HydrophobicContact CG-CG 4.16Å; M151-L170 HydrophobicContact SD-CB 3.81Å; M151-A171 HydrophobicContact CE-CB 3.66Å
152	H	98.4	Very high	98.4	Very high	31 Å²	31	21.3 Å²	21.3	14%	0.144	11%	0.112	C	C	.	.	H	α-helix	trans	-58.4	-54.8	176.8	179.9	92.8	0	0	0	113.6	S147 S148 V150 I154 N155 A156 N294	S147-H152 WeakPolarHBondContact O-CB 3.44Å; S147-H152 PolarHBondContact O-N 2.89Å; S148-H152 WeakPolarHBondContact O-CB 3.43Å; V150-H152 PolarHBondContact O-N 3Å; H152-I154 VanDerWaalsContact C-N 3.32Å; H152-I154 PolarHBondContact O-N 3.25Å; H152-N155 PolarHBondContact O-N 3.29Å; H152-A156 VanDerWaalsContact O-CB 3.29Å; H152-A156 WeakPolarHBondContact O-CB 3.38Å; H152-A156 PolarHBondContact O-N 2.7Å; H152-N294 PolarHBondContact CE1-ND2 3.23Å; H152-N294 VanDerWaalsContact CE1-ND2 3.28Å; H152-N294 PolarHBondContact NE2-ND2 3.19Å
153	P	98.4	Very high	98.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-61.4	-34.7	177.7	13.1	-23.3	0	0	0	114.2	L149 V150 Y157 V225 W227 L279 C291	L149-P153 WeakPolarHBondContact O-CG 3.44Å; V150-P153 WeakPolarHBondContact O-CD 3.49Å; V150-P153 WeakPolarHBondContact O-CG 3.37Å; P153-Y157 HydrophobicContact CB-CD2 3.86Å; P153-Y157 HydrophobicContact CB-CE2 4.27Å; P153-Y157 WeakPolarHBondContact O-CA 3.26Å; P153-Y157 WeakPolarHBondContact O-CB 3.45Å; P153-Y157 PolarHBondContact O-N 2.76Å; P153-V225 HydrophobicContact CB-CG1 4.38Å; P153-V225 HydrophobicContact CG-CG1 4.2Å; P153-W227 HydrophobicContact CB-CZ2 4.45Å; P153-L279 HydrophobicContact CB-CD1 4.11Å; P153-C291 VanDerWaalsContact CB-SG 3.59Å
154	I	98.7	Very high	98.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-65.3	-43.4	174.8	-65.5	169.6	0	0	0	110.2	V150 M151 H152 G158 K163 Y166 L167 L170 V225 I239	V150-I154 HydrophobicContact CG1-CD1 4.05Å; V150-I154 WeakPolarHBondContact O-CG1 3.39Å; V150-I154 PolarHBondContact O-N 2.75Å; M151-I154 PolarHBondContact O-N 2.89Å; H152-I154 VanDerWaalsContact C-N 3.32Å; H152-I154 PolarHBondContact O-N 3.25Å; I154-G158 WeakPolarHBondContact O-CA 3.31Å; I154-G158 PolarHBondContact O-N 3.12Å; I154-G158 VanDerWaalsContact O-N 3.08Å; I154-K163 HydrophobicContact CG2-CG 4.36Å; I154-Y166 HydrophobicContact CD1-CD2 4.31Å; I154-Y166 HydrophobicContact CD1-CG 4.37Å; I154-L167 HydrophobicContact CB-CD2 3.99Å; I154-L167 HydrophobicContact CG2-CD2 3.88Å; I154-L167 HydrophobicContact CG2-CG 3.96Å; I154-L170 HydrophobicContact CD1-CD1 3.83Å; I154-V225 HydrophobicContact CD1-CG2 4.41Å; I154-V225 HydrophobicContact CG1-CG2 4.44Å; I154-I239 HydrophobicContact CD1-CD1 4.27Å; I154-I239 HydrophobicContact CG1-CD1 4.01Å
155	N	98.4	Very high	98.4	Very high	42 Å²	42	31.5 Å²	31.5	23%	0.225	16%	0.157	C	C	.	.	H	α-helix	trans	-69.6	-41.4	177	-175.4	33.4	0	0	0	113.5	I112 M151 H152 K163 L167	I112-N155 HydrophobicContact CD1-CB 4.14Å; I112-N155 HydrophobicContact CG1-CB 4.46Å; M151-N155 WeakPolarHBondContact O-CB 3.48Å; M151-N155 PolarHBondContact O-N 3.18Å; H152-N155 PolarHBondContact O-N 3.29Å; N155-K163 WeakPolarHBondContact O-CE 3.37Å; N155-K163 PolarHBondContact O-NZ 3.41Å; N155-K163 PolarHBondContact OD1-NZ 3.1Å; N155-L167 HydrophobicContact CB-CD1 3.87Å
156	A	97.6	Very high	98.4	Very high	42 Å²	42	31.4 Å²	31.4	35%	0.347	16%	0.156	S	C	.	.	H	α-helix	trans	-76.4	-42.9	-176.8	0	0	0	0	0	112.2	H152	H152-A156 VanDerWaalsContact O-CB 3.29Å; H152-A156 WeakPolarHBondContact O-CB 3.38Å; H152-A156 PolarHBondContact O-N 2.7Å
157	Y	98.4	Very high	98.4	Very high	39 Å²	39	31.4 Å²	31.4	15%	0.153	16%	0.156	C	C	.	.	H	α-helix	trans	-116.1	-14.1	-165.5	-48.4	-52.5	0	0	0	115.3	P153 W227 P280 K281 A282 G287	P153-Y157 HydrophobicContact CB-CD2 3.86Å; P153-Y157 HydrophobicContact CB-CE2 4.27Å; P153-Y157 WeakPolarHBondContact O-CA 3.26Å; P153-Y157 WeakPolarHBondContact O-CB 3.45Å; P153-Y157 PolarHBondContact O-N 2.76Å; Y157-W227 HydrophobicContact CD2-CH2 4.33Å; Y157-P280 WeakPolarHBondContact O-CD 3.28Å; Y157-K281 WeakPolarHBondContact O-CB 3.46Å; Y157-K281 PolarHBondContact O-N 3.02Å; Y157-K281 VanDerWaalsContact O-N 3.12Å; Y157-A282 HydrophobicContact CD1-CB 4.22Å; Y157-A282 HydrophobicContact CD2-CB 4.07Å; Y157-A282 HydrophobicContact CG-CB 3.77Å; Y157-G287 WeakPolarHBondContact CE2-O 3.3Å; Y157-G287 PolarHBondContact OH-O 3.13Å
158	G	98.1	Very high	98.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	-79.2	171.3	-177.4	0	0	0	0	0	115.2	I154 K281	I154-G158 WeakPolarHBondContact O-CA 3.31Å; I154-G158 PolarHBondContact O-N 3.12Å; I154-G158 VanDerWaalsContact O-N 3.08Å; G158-K281 WeakPolarHBondContact O-CE 3.3Å; G158-K281 PolarHBondContact O-NZ 2.95Å
159	T	98.5	Very high	98.5	Very high	37 Å²	37	36.3 Å²	36.3	23%	0.227	18%	0.178	C	C	.	.			trans	-75.9	171.1	166.5	79.6	0	0	0	0	111.1	E161 Q162 K163 P280	T159-E161 WeakPolarHBondContact CB-OE2 3.48Å; T159-E161 PolarHBondContact OG1-N 2.89Å; T159-E161 PolarHBondContact OG1-OE2 3.15Å; T159-Q162 WeakPolarHBondContact OG1-CG 3.44Å; T159-Q162 PolarHBondContact OG1-N 3.36Å; T159-K163 WeakPolarHBondContact O-CG 3.21Å; T159-K163 PolarHBondContact O-N 2.93Å; T159-P280 HydrophobicContact CG2-CG 3.77Å
160	E	98.3	Very high	98.5	Very high	80 Å²	80	35.9 Å²	35.9	37%	0.374	18%	0.176	S	C	.	.	H	α-helix	trans	-70.5	-36.1	178	-168.1	56.2	-148.6	0	0	111.3	Y115 Q162 K163 Q164	Y115-E160 WeakPolarHBondContact CE1-OE1 3.46Å; Y115-E160 VanDerWaalsContact OH-CD 3.24Å; Y115-E160 PolarHBondContact OH-OE1 2.88Å; Y115-E160 PolarHBondContact OH-OE2 3.16Å; E160-Q162 VanDerWaalsContact C-N 3.34Å; E160-Q162 PolarHBondContact O-N 2.79Å; E160-K163 WeakPolarHBondContact O-CB 3.42Å; E160-K163 PolarHBondContact O-N 3.29Å; E160-K163 VanDerWaalsContact O-N 3.12Å; E160-Q164 HydrophobicContact CG-CG 4.39Å; E160-Q164 VanDerWaalsContact O-CG 3.31Å; E160-Q164 WeakPolarHBondContact O-CG 3.09Å; E160-Q164 PolarHBondContact O-N 3.48Å; E160-Q164 PolarHBondContact OE1-NE2 3.36Å
161	E	98.3	Very high	98.5	Very high	136 Å²	136	36.1 Å²	36.1	64%	0.636	18%	0.178	S	C	*	.	H	α-helix	trans	-61.1	-43.1	177.1	-53.2	70.8	-152	0	0	110.9	T159 Q164 K165	T159-E161 WeakPolarHBondContact CB-OE2 3.48Å; T159-E161 PolarHBondContact OG1-N 2.89Å; T159-E161 PolarHBondContact OG1-OE2 3.15Å; E161-Q164 PolarHBondContact O-N 3.38Å; E161-K165 VanDerWaalsContact O-CB 3.23Å; E161-K165 WeakPolarHBondContact O-CB 3.31Å; E161-K165 PolarHBondContact O-N 3.26Å
162	Q	98.6	Very high	98.4	Very high	5 Å²	5	41.7 Å²	41.7	2%	0.023	20%	0.199	C	C	.	.	H	α-helix	trans	-61.1	-44.7	173.3	-69.8	172.8	-15	0	0	111.6	T159 E160 K165 Y166 I239 E276 L278	T159-Q162 WeakPolarHBondContact OG1-CG 3.44Å; T159-Q162 PolarHBondContact OG1-N 3.36Å; E160-Q162 VanDerWaalsContact C-N 3.34Å; E160-Q162 PolarHBondContact O-N 2.79Å; Q162-K165 PolarHBondContact O-N 2.81Å; Q162-Y166 HydrophobicContact CB-CD2 4.26Å; Q162-Y166 HydrophobicContact CB-CE2 4.31Å; Q162-Y166 HydrophobicContact CG-CE2 4.41Å; Q162-Y166 WeakPolarHBondContact O-CD2 3.46Å; Q162-Y166 PolarHBondContact O-N 3.19Å; Q162-I239 HydrophobicContact CB-CD1 4.45Å; Q162-I239 HydrophobicContact CG-CD1 4.31Å; Q162-E276 PolarHBondContact NE2-O 3.34Å; Q162-L278 PolarHBondContact NE2-O 3.49Å
163	K	98.6	Very high	98.4	Very high	24 Å²	24	40.2 Å²	40.2	10%	0.104	19%	0.192	C	C	.	.	H	α-helix	trans	-61.2	-49.2	178	-67.9	-177	-167.7	-157.2	0	111.9	Y115 I154 N155 T159 E160 K165 Y166 L167 P168	Y115-K163 HydrophobicContact CD1-CB 4.04Å; Y115-K163 HydrophobicContact CE1-CB 3.5Å; Y115-K163 HydrophobicContact CE1-CD 3.97Å; Y115-K163 HydrophobicContact CE1-CG 4.41Å; Y115-K163 HydrophobicContact CE2-CD 4.09Å; Y115-K163 WeakPolarHBondContact OH-CD 3.04Å; I154-K163 HydrophobicContact CG2-CG 4.36Å; N155-K163 WeakPolarHBondContact O-CE 3.37Å; N155-K163 PolarHBondContact O-NZ 3.41Å; N155-K163 PolarHBondContact OD1-NZ 3.1Å; T159-K163 WeakPolarHBondContact O-CG 3.21Å; T159-K163 PolarHBondContact O-N 2.93Å; E160-K163 WeakPolarHBondContact O-CB 3.42Å; E160-K163 PolarHBondContact O-N 3.29Å; E160-K163 VanDerWaalsContact O-N 3.12Å; K163-K165 VanDerWaalsContact C-N 3.33Å; K163-K165 PolarHBondContact O-N 3.47Å; K163-Y166 PolarHBondContact O-N 3.4Å; K163-L167 HydrophobicContact CB-CD1 3.8Å; K163-L167 HydrophobicContact CB-CG 4.29Å; K163-L167 HydrophobicContact CD-CD1 4.27Å; K163-L167 HydrophobicContact CG-CD1 3.84Å; K163-L167 VanDerWaalsContact O-CB 3.3Å; K163-L167 WeakPolarHBondContact O-CB 3.18Å; K163-L167 PolarHBondContact O-N 2.79Å; K163-P168 WeakPolarHBondContact O-CD 3.5Å
164	Q	98.4	Very high	98.4	Very high	109 Å²	109	44.7 Å²	44.7	51%	0.509	21%	0.213	S	C	.	.	H	α-helix	trans	-64.6	-36.3	179.4	-60.6	-65.7	-14.2	0	0	111.7	Y115 E160 E161	Y115-Q164 HydrophobicContact CE1-CG 4.46Å; Y115-Q164 VanDerWaalsContact CE1-NE2 3.31Å; E160-Q164 HydrophobicContact CG-CG 4.39Å; E160-Q164 VanDerWaalsContact O-CG 3.31Å; E160-Q164 WeakPolarHBondContact O-CG 3.09Å; E160-Q164 PolarHBondContact O-N 3.48Å; E160-Q164 PolarHBondContact OE1-NE2 3.36Å; E161-Q164 PolarHBondContact O-N 3.38Å
165	K	98.4	Very high	98.4	Very high	90 Å²	90	46.2 Å²	46.2	39%	0.391	22%	0.221	S	C	.	.	H	α-helix	trans	-65.8	-45.4	176.4	-177.9	-179.8	173.2	-166.3	0	113	E161 Q162 K163 E241	E161-K165 VanDerWaalsContact O-CB 3.23Å; E161-K165 WeakPolarHBondContact O-CB 3.31Å; E161-K165 PolarHBondContact O-N 3.26Å; Q162-K165 PolarHBondContact O-N 2.81Å; K163-K165 VanDerWaalsContact C-N 3.33Å; K163-K165 PolarHBondContact O-N 3.47Å; K165-E241 IonicContact NZ-OE1 2.79Å; K165-E241 PolarHBondContact NZ-OE1 3.12Å
166	Y	98.8	Very high	98.4	Very high	5 Å²	5	44.2 Å²	44.2	2%	0.02	21%	0.21	C	C	.	.	H	α-helix	trans	-106.8	-44.5	-167.7	-56.1	-65.8	0	0	0	114.8	I154 Q162 K163 K169 L170 I175 V223 I239 E241 N277	I154-Y166 HydrophobicContact CD1-CD2 4.31Å; I154-Y166 HydrophobicContact CD1-CG 4.37Å; Q162-Y166 HydrophobicContact CB-CD2 4.26Å; Q162-Y166 HydrophobicContact CB-CE2 4.31Å; Q162-Y166 HydrophobicContact CG-CE2 4.41Å; Q162-Y166 WeakPolarHBondContact O-CD2 3.46Å; Q162-Y166 PolarHBondContact O-N 3.19Å; K163-Y166 PolarHBondContact O-N 3.4Å; Y166-K169 PolarHBondContact O-N 2.77Å; Y166-L170 WeakPolarHBondContact O-CG 3.45Å; Y166-L170 PolarHBondContact O-N 3.04Å; Y166-I175 HydrophobicContact CD1-CD1 4.36Å; Y166-V223 HydrophobicContact CD1-CG1 4.42Å; Y166-V223 HydrophobicContact CE1-CG1 4.38Å; Y166-I239 HydrophobicContact CD2-CD1 3.81Å; Y166-I239 HydrophobicContact CE1-CG2 4.18Å; Y166-I239 HydrophobicContact CE2-CB 4.45Å; Y166-I239 HydrophobicContact CE2-CD1 3.44Å; Y166-I239 VanDerWaalsContact CE2-CD1 3.44Å; Y166-I239 HydrophobicContact CE2-CG2 3.92Å; Y166-E241 PolarHBondContact OH-OE1 3.42Å; Y166-N277 PolarHBondContact OH-ND2 2.86Å; Y166-N277 PolarHBondContact OH-OD1 3.41Å
167	L	98.8	Very high	98.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.9	-44.4	-168.6	-65.3	-179.5	0	0	0	114	Y115 M151 I154 N155 K163 K169 L170 A171	Y115-L167 HydrophobicContact CD1-CB 4.45Å; Y115-L167 HydrophobicContact CD1-CD1 4.21Å; Y115-L167 HydrophobicContact CD2-CD1 3.88Å; Y115-L167 HydrophobicContact CE2-CD1 4.32Å; Y115-L167 HydrophobicContact CG-CB 4.14Å; Y115-L167 HydrophobicContact CG-CD1 3.83Å; M151-L167 HydrophobicContact CB-CD2 3.88Å; M151-L167 HydrophobicContact CG-CD2 4.19Å; M151-L167 WeakPolarHBondContact O-CD2 3.37Å; I154-L167 HydrophobicContact CB-CD2 3.99Å; I154-L167 HydrophobicContact CG2-CD2 3.88Å; I154-L167 HydrophobicContact CG2-CG 3.96Å; N155-L167 HydrophobicContact CB-CD1 3.87Å; K163-L167 HydrophobicContact CB-CD1 3.8Å; K163-L167 HydrophobicContact CB-CG 4.29Å; K163-L167 HydrophobicContact CD-CD1 4.27Å; K163-L167 HydrophobicContact CG-CD1 3.84Å; K163-L167 VanDerWaalsContact O-CB 3.3Å; K163-L167 WeakPolarHBondContact O-CB 3.18Å; K163-L167 PolarHBondContact O-N 2.79Å; L167-K169 VanDerWaalsContact C-N 3.25Å; L167-K169 PolarHBondContact O-N 2.9Å; L167-L170 HydrophobicContact CD2-CD1 4.36Å; L167-L170 PolarHBondContact O-N 3.28Å; L167-A171 VanDerWaalsContact O-CB 3.3Å; L167-A171 WeakPolarHBondContact O-CB 3.48Å; L167-A171 PolarHBondContact O-N 3.38Å
168	P	98.6	Very high	98.5	Very high	22 Å²	22	40.4 Å²	40.4	14%	0.143	19%	0.187	C	C	.	.	H	α-helix	trans	-62.6	-32.3	178.7	-23	34.3	0	0	0	113.4	Y115 K163 R172	Y115-P168 VanDerWaalsContact O-CA 3.27Å; Y115-P168 WeakPolarHBondContact O-CA 3.39Å; K163-P168 WeakPolarHBondContact O-CD 3.5Å; P168-R172 WeakPolarHBondContact O-CG 3.48Å; P168-R172 VanDerWaalsContact O-CZ 3.28Å; P168-R172 PolarHBondContact O-N 2.85Å; P168-R172 PolarHBondContact O-NH1 2.87Å; P168-R172 VanDerWaalsContact O-NH1 3.13Å
169	K	98.6	Very high	98.5	Very high	92 Å²	92	41.1 Å²	41.1	40%	0.4	19%	0.19	S	C	.	.	H	α-helix	trans	-77.3	-38.9	178.7	-54	-170.6	-179.5	-177.3	0	111.8	Y166 L167 G173 E174 I175	Y166-K169 PolarHBondContact O-N 2.77Å; L167-K169 VanDerWaalsContact C-N 3.25Å; L167-K169 PolarHBondContact O-N 2.9Å; K169-G173 PolarHBondContact O-N 3.32Å; K169-E174 HydrophobicContact CB-CB 4.29Å; K169-E174 WeakPolarHBondContact CB-OE2 3.03Å; K169-E174 WeakPolarHBondContact CG-OE2 3.19Å; K169-E174 PolarHBondContact O-N 3.39Å; K169-I175 HydrophobicContact CB-CD1 3.73Å; K169-I175 HydrophobicContact CB-CG1 3.68Å; K169-I175 HydrophobicContact CB-CG2 4.47Å; K169-I175 HydrophobicContact CD-CD1 4.31Å; K169-I175 PolarHBondContact O-N 3.38Å
170	L	98.8	Very high	98.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-65.8	-39.4	173.9	-70.8	160.6	0	0	0	111.5	L108 Q146 V150 M151 I154 Y166 L167 G173 I175 V223	L108-L170 WeakPolarHBondContact CD1-O 3.36Å; Q146-L170 PolarHBondContact NE2-O 3.4Å; V150-L170 HydrophobicContact CG1-CD1 3.93Å; V150-L170 HydrophobicContact CG1-CD2 3.89Å; M151-L170 HydrophobicContact CE-CB 4.22Å; M151-L170 HydrophobicContact CG-CB 3.5Å; M151-L170 HydrophobicContact CG-CD1 3.81Å; M151-L170 HydrophobicContact CG-CG 4.16Å; M151-L170 HydrophobicContact SD-CB 3.81Å; I154-L170 HydrophobicContact CD1-CD1 3.83Å; Y166-L170 WeakPolarHBondContact O-CG 3.45Å; Y166-L170 PolarHBondContact O-N 3.04Å; L167-L170 HydrophobicContact CD2-CD1 4.36Å; L167-L170 PolarHBondContact O-N 3.28Å; L170-G173 PolarHBondContact O-N 2.91Å; L170-I175 HydrophobicContact CD2-CD1 4.32Å; L170-I175 HydrophobicContact CD2-CG1 3.89Å; L170-I175 HydrophobicContact CG-CD1 4.07Å; L170-I175 HydrophobicContact CG-CG1 3.9Å; L170-V223 HydrophobicContact CD2-CG2 4.14Å
171	A	98.6	Very high	98.5	Very high	5 Å²	5	36.1 Å²	36.1	4%	0.041	16%	0.164	C	C	.	.	H	α-helix	trans	-64.9	-43.1	178.8	0	0	0	0	0	112.3	G103 M151 L167 G173	G103-A171 WeakPolarHBondContact CA-O 3.24Å; M151-A171 HydrophobicContact CE-CB 3.66Å; L167-A171 VanDerWaalsContact O-CB 3.3Å; L167-A171 WeakPolarHBondContact O-CB 3.48Å; L167-A171 PolarHBondContact O-N 3.38Å; A171-G173 PolarHBondContact O-N 2.92Å
172	R	98.2	Very high	98.4	Very high	116 Å²	116	32 Å²	32	44%	0.438	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	1.3	174.9	-65.2	-170.8	-56.9	-84.1	-3.9	114.2	P168 E174	P168-R172 WeakPolarHBondContact O-CG 3.48Å; P168-R172 VanDerWaalsContact O-CZ 3.28Å; P168-R172 PolarHBondContact O-N 2.85Å; P168-R172 PolarHBondContact O-NH1 2.87Å; P168-R172 VanDerWaalsContact O-NH1 3.13Å; R172-E174 HydrophobicContact CB-CG 4.07Å; R172-E174 IonicContact CZ-OE1 3.63Å; R172-E174 IonicContact CZ-OE2 3.72Å; R172-E174 IonicContact NE-OE1 3.47Å; R172-E174 PolarHBondContact NE-OE1 3.33Å; R172-E174 IonicContact NE-OE2 2.64Å; R172-E174 IonicContact NH2-OE1 3.55Å; R172-E174 PolarHBondContact NH2-OE1 3.27Å; R172-E174 IonicContact NH2-OE2 2.73Å; R172-E174 PolarHBondContact NH2-OE2 3.01Å; R172-E174 PolarHBondContact O-N 3.11Å; R172-E174 VanDerWaalsContact O-N 3.16Å
173	G	98.1	Very high	98.4	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.7	8.1	-177.4	0	0	0	0	0	115.4	R96 K169 L170 A171 I175	R96-G173 PolarHBondContact NH1-O 2.85Å; K169-G173 PolarHBondContact O-N 3.32Å; L170-G173 PolarHBondContact O-N 2.91Å; A171-G173 PolarHBondContact O-N 2.92Å; G173-I175 VanDerWaalsContact C-N 3.29Å; G173-I175 PolarHBondContact O-N 2.89Å
174	E	98.3	Very high	98.1	Very high	95 Å²	95	34.6 Å²	34.6	44%	0.444	17%	0.167	S	C	.	.	S	Bend	trans	-57.6	-43.8	177.3	-67.6	172.3	177.6	0	0	110.8	R96 K169 R172	R96-E174 PolarHBondContact NH2-O 3.47Å; K169-E174 HydrophobicContact CB-CB 4.29Å; K169-E174 WeakPolarHBondContact CB-OE2 3.03Å; K169-E174 WeakPolarHBondContact CG-OE2 3.19Å; K169-E174 PolarHBondContact O-N 3.39Å; R172-E174 HydrophobicContact CB-CG 4.07Å; R172-E174 IonicContact CZ-OE1 3.63Å; R172-E174 IonicContact CZ-OE2 3.72Å; R172-E174 IonicContact NE-OE1 3.47Å; R172-E174 PolarHBondContact NE-OE1 3.33Å; R172-E174 IonicContact NE-OE2 2.64Å; R172-E174 IonicContact NH2-OE1 3.55Å; R172-E174 PolarHBondContact NH2-OE1 3.27Å; R172-E174 IonicContact NH2-OE2 2.73Å; R172-E174 PolarHBondContact NH2-OE2 3.01Å; R172-E174 PolarHBondContact O-N 3.11Å; R172-E174 VanDerWaalsContact O-N 3.16Å
175	I	98.4	Very high	97.7	Very high	32 Å²	32	34.7 Å²	34.7	16%	0.164	17%	0.171	C	C	.	.	S	Bend	trans	-116.9	139.9	174.4	64.9	178.4	0	0	0	110.9	Q146 Y166 K169 L170 G173 D222 V223	Q146-I175 PolarHBondContact NE2-O 3.29Å; Y166-I175 HydrophobicContact CD1-CD1 4.36Å; K169-I175 HydrophobicContact CB-CD1 3.73Å; K169-I175 HydrophobicContact CB-CG1 3.68Å; K169-I175 HydrophobicContact CB-CG2 4.47Å; K169-I175 HydrophobicContact CD-CD1 4.31Å; K169-I175 PolarHBondContact O-N 3.38Å; L170-I175 HydrophobicContact CD2-CD1 4.32Å; L170-I175 HydrophobicContact CD2-CG1 3.89Å; L170-I175 HydrophobicContact CG-CD1 4.07Å; L170-I175 HydrophobicContact CG-CG1 3.9Å; G173-I175 VanDerWaalsContact C-N 3.29Å; G173-I175 PolarHBondContact O-N 2.89Å; I175-D222 WeakPolarHBondContact CA-OD2 3.38Å; I175-D222 HydrophobicContact CB-CB 3.97Å; I175-D222 HydrophobicContact CG2-CB 4.25Å; I175-V223 HydrophobicContact CD1-CG1 4.24Å
176	L	98.6	Very high	97.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.16	C	C	.	.			trans	-103.9	131.5	179.2	178	59.4	0	0	0	110.2	F94 V99 V142 N217 V220 A221 D222 V223	F94-L176 HydrophobicContact CE1-CD2 3.99Å; F94-L176 HydrophobicContact CZ-CD2 4.18Å; V99-L176 HydrophobicContact CG1-CD1 4.06Å; V99-L176 HydrophobicContact CG2-CD1 3.99Å; V99-L176 HydrophobicContact CG2-CD2 4.32Å; V142-L176 HydrophobicContact CG1-CD1 4.15Å; L176-N217 HydrophobicContact CD1-CB 4.32Å; L176-N217 WeakPolarHBondContact CD1-ND2 3.43Å; L176-N217 HydrophobicContact CD2-CB 4.19Å; L176-N217 HydrophobicContact CG-CB 4.14Å; L176-V220 HydrophobicContact CD2-CB 4.48Å; L176-V220 HydrophobicContact CD2-CG2 3.81Å; L176-A221 CarbonylContact O-C 3.58Å; L176-A221 WeakPolarHBondContact O-CA 3.47Å; L176-A221 WeakPolarHBondContact O-CB 3.36Å; L176-D222 PolarHBondContact N-OD2 3.35Å; L176-D222 PolarHBondContact O-N 3.09Å; L176-V223 PolarHBondContact O-N 2.82Å
177	G	98.8	Very high	97	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	155.5	178.9	0	0	0	0	0	114.5	N217 V223	G177-N217 VanDerWaalsContact O-CB 3.28Å; G177-N217 WeakPolarHBondContact O-CB 3.46Å; G177-N217 PolarHBondContact O-ND2 2.86Å; G177-V223 CarbonylContact C-O 3.47Å; G177-V223 WeakPolarHBondContact CA-O 3.31Å
178	C	98.8	Very high	96.6	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.007	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	165.2	165.3	65.8	0	0	0	0	112.1	V150 I215 T216 N217 A221 V223 A224 V225	V150-C178 WeakPolarHBondContact CG2-O 3.27Å; C178-I215 HydrophobicContact CB-CG2 3.99Å; C178-T216 VanDerWaalsContact CB-O 3.27Å; C178-T216 WeakPolarHBondContact CB-O 3.42Å; C178-N217 HydrophobicContact CB-CB 4.02Å; C178-A221 HydrophobicContact CB-CB 3.72Å; C178-V223 PolarHBondContact N-O 3.35Å; C178-V223 PolarHBondContact SG-O 3.2Å; C178-A224 WeakPolarHBondContact O-CA 3.24Å; C178-A224 WeakPolarHBondContact SG-CB 3.5Å; C178-V225 PolarHBondContact O-N 3.38Å
179	F	98.8	Very high	96.2	Very high	15 Å²	15	40.2 Å²	40.2	7%	0.066	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	105.3	-172.1	178.2	-101.4	0	0	0	112	L149 L181 I215 V225 W227 P288 C291 L292	L149-F179 HydrophobicContact CB-CB 3.69Å; L149-F179 HydrophobicContact CB-CD1 4.24Å; L149-F179 HydrophobicContact CB-CD2 3.79Å; L149-F179 HydrophobicContact CB-CE2 4.28Å; L149-F179 HydrophobicContact CB-CG 3.7Å; L149-F179 HydrophobicContact CD1-CB 4.31Å; L149-F179 HydrophobicContact CD1-CD1 4.04Å; L149-F179 HydrophobicContact CD1-CG 4.28Å; L149-F179 HydrophobicContact CD2-CD1 4.42Å; L149-F179 HydrophobicContact CD2-CE1 4.24Å; L149-F179 HydrophobicContact CD2-CE2 4.4Å; L149-F179 HydrophobicContact CD2-CZ 4.2Å; L149-F179 HydrophobicContact CG-CD1 4.48Å; L149-F179 HydrophobicContact CG-CG 4.42Å; L149-F179 WeakPolarHBondContact O-CD2 3.35Å; F179-L181 HydrophobicContact CD1-CB 4.07Å; F179-L181 HydrophobicContact CE1-CB 3.63Å; F179-L181 HydrophobicContact CE1-CD2 3.97Å; F179-L181 HydrophobicContact CE1-CG 4.44Å; F179-L181 HydrophobicContact CZ-CB 4.37Å; F179-L181 HydrophobicContact CZ-CD2 4.41Å; F179-L181 PolarHBondContact O-N 2.85Å; F179-I215 WeakPolarHBondContact O-CG2 3.41Å; F179-V225 CarbonylContact C-O 3.52Å; F179-V225 WeakPolarHBondContact CA-O 3.26Å; F179-V225 HydrophobicContact CD2-CB 4.43Å; F179-V225 HydrophobicContact CD2-CG1 4.34Å; F179-W227 AromaticContact CD2-NE1 3.6Å; F179-W227 AromaticContact CE2-CD1 3.87Å; F179-W227 AromaticContact CE2-CE2 3.89Å; F179-W227 HydrophobicContact CE2-CZ2 4.25Å; F179-W227 AromaticContact CE2-NE1 2.96Å; F179-W227 AromaticContact CZ-CD1 3.93Å; F179-W227 AromaticContact CZ-NE1 3.33Å; F179-W227 VanDerWaalsContact CZ-NE1 3.33Å; F179-P288 HydrophobicContact CZ-CB 4.16Å; F179-C291 HydrophobicContact CE2-CB 3.9Å; F179-C291 HydrophobicContact CZ-CB 4.01Å; F179-L292 HydrophobicContact CE1-CD2 4.09Å
180	G	98.4	Very high	95.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	87.9	-176.3	0	0	0	0	0	113.2	K212 V225 V226 W227	G180-K212 WeakPolarHBondContact O-CE 3.41Å; G180-V225 PolarHBondContact N-O 2.95Å; G180-V226 WeakPolarHBondContact O-CA 3.28Å; G180-W227 PolarHBondContact O-N 3.17Å
181	L	97.9	Very high	95.3	Very high	11 Å²	11	39.5 Å²	39.5	6%	0.058	23%	0.227	C	C	.	.			trans	-110.9	-63	173	-178.9	63.8	0	0	0	112.2	F179 P190 M193 K212 W227 P288 L292	F179-L181 HydrophobicContact CD1-CB 4.07Å; F179-L181 HydrophobicContact CE1-CB 3.63Å; F179-L181 HydrophobicContact CE1-CD2 3.97Å; F179-L181 HydrophobicContact CE1-CG 4.44Å; F179-L181 HydrophobicContact CZ-CB 4.37Å; F179-L181 HydrophobicContact CZ-CD2 4.41Å; F179-L181 PolarHBondContact O-N 2.85Å; L181-P190 HydrophobicContact CD1-CB 4.22Å; L181-P190 HydrophobicContact CG-CB 4.42Å; L181-M193 HydrophobicContact CD1-CE 3.74Å; L181-K212 PolarHBondContact O-NZ 3.4Å; L181-W227 HydrophobicContact CD1-CB 3.86Å; L181-W227 HydrophobicContact CD1-CG 4.06Å; L181-P288 HydrophobicContact CD1-CB 3.95Å; L181-P288 HydrophobicContact CD1-CG 4.25Å; L181-P288 HydrophobicContact CD2-CB 3.97Å; L181-L292 HydrophobicContact CD2-CD1 3.95Å; L181-L292 HydrophobicContact CD2-CG 4.47Å
182	T	96.3	Very high	95	Very high	50 Å²	50	40.6 Å²	40.6	31%	0.307	24%	0.239	S	C	.	.			trans	-60.6	139.7	-175.9	-56.8	0	0	0	0	113.1	K212 T213	T182-K212 CarbonylContact O-C 3.6Å; T182-K212 WeakPolarHBondContact O-CA 3.41Å; T182-K212 WeakPolarHBondContact O-CB 3.36Å; T182-T213 PolarHBondContact O-N 2.8Å
183	E	97.8	Very high	94.9	Very high	5 Å²	5	35.1 Å²	35.1	2%	0.023	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-127.3	162.8	179.7	-43.5	-173.5	144.6	0	0	110.3	N185 H186 M193 E194 T195 K212	E183-N185 PolarHBondContact O-N 3.05Å; E183-N185 VanDerWaalsContact O-N 3.17Å; E183-H186 HydrophobicContact CB-CB 4.11Å; E183-H186 HydrophobicContact CG-CB 4.39Å; E183-H186 PolarHBondContact N-O 2.89Å; E183-H186 CarbonylContact O-C 3.55Å; E183-H186 PolarHBondContact O-N 3.22Å; E183-H186 IonicContact OE2-CD2 2.83Å; E183-M193 WeakPolarHBondContact OE2-CA 3.19Å; E183-M193 WeakPolarHBondContact OE2-CB 3.42Å; E183-E194 PolarHBondContact OE2-N 2.79Å; E183-T195 WeakPolarHBondContact OE1-CB 3.28Å; E183-T195 PolarHBondContact OE1-N 2.86Å; E183-T195 PolarHBondContact OE1-OG1 2.94Å; E183-K212 HydrophobicContact CG-CD 3.77Å; E183-K212 IonicContact OE1-NZ 3.96Å; E183-K212 PolarHBondContact OE1-NZ 3Å
184	P	92.5	Very high	94.9	Very high	78 Å²	78	39.9 Å²	39.9	51%	0.506	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-38.2	-178.8	-28.1	36.4	0	0	0	114.1	T213	P184-T213 HydrophobicContact CG-CG2 4.05Å
185	N	90.8	Very high	94.9	Very high	111 Å²	111	35.4 Å²	35.4	59%	0.594	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-10.7	179.4	-60	-22.6	0	0	0	113.2	E183 E194	E183-N185 PolarHBondContact O-N 3.05Å; E183-N185 VanDerWaalsContact O-N 3.17Å; N185-E194 PolarHBondContact ND2-OE1 3.45Å
186	H	92.5	Very high	94.9	Very high	32 Å²	32	39 Å²	39	15%	0.148	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-133.6	83.8	-168.7	-67.4	-64.6	0	0	0	112.4	E183 D189 G192 E194	E183-H186 HydrophobicContact CB-CB 4.11Å; E183-H186 HydrophobicContact CG-CB 4.39Å; E183-H186 PolarHBondContact N-O 2.89Å; E183-H186 CarbonylContact O-C 3.55Å; E183-H186 PolarHBondContact O-N 3.22Å; E183-H186 IonicContact OE2-CD2 2.83Å; H186-D189 VanDerWaalsContact CB-O 3.32Å; H186-D189 WeakPolarHBondContact CB-O 3.46Å; H186-D189 PolarHBondContact ND1-O 3.39Å; H186-D189 VanDerWaalsContact ND1-O 3.13Å; H186-D189 IonicContact ND1-OD2 3.81Å; H186-G192 VanDerWaalsContact CE1-CA 3.47Å; H186-G192 WeakPolarHBondContact CE1-CA 3.38Å; H186-E194 IonicContact NE2-OE1 2.72Å
187	G	90.1	Very high	94.8	Very high	47 Å²	47	39 Å²	39	49%	0.485	23%	0.231	S	C	.	.	S	Bend	trans	-94.3	-81.1	169.7	0	0	0	0	0	112.6	D189	G187-D189 VanDerWaalsContact C-N 3.35Å; G187-D189 PolarHBondContact O-N 3.24Å
188	S	89.1	Confident	94.8	Very high	80 Å²	80	45.2 Å²	45.2	56%	0.559	26%	0.259	S	S	*	.	S	Bend	trans	-71.2	-26.1	-176.8	-55.8	0	0	0	0	114	P190	S188-P190 WeakPolarHBondContact O-CD 3.3Å
189	D	91.3	Very high	94.8	Very high	74 Å²	74	48.5 Å²	48.5	40%	0.396	27%	0.271	S	S	.	.			trans	-109.2	98	168.3	172.8	40.8	0	0	0	110.8	H186 G187 S191 G192	H186-D189 VanDerWaalsContact CB-O 3.32Å; H186-D189 WeakPolarHBondContact CB-O 3.46Å; H186-D189 PolarHBondContact ND1-O 3.39Å; H186-D189 VanDerWaalsContact ND1-O 3.13Å; H186-D189 IonicContact ND1-OD2 3.81Å; G187-D189 VanDerWaalsContact C-N 3.35Å; G187-D189 PolarHBondContact O-N 3.24Å; D189-S191 VanDerWaalsContact C-N 3.31Å; D189-S191 WeakPolarHBondContact OD1-CA 3.37Å; D189-S191 WeakPolarHBondContact OD1-CB 3.13Å; D189-S191 PolarHBondContact OD1-N 2.98Å; D189-S191 PolarHBondContact OD1-OG 3.3Å; D189-S191 PolarHBondContact OD2-OG 3.22Å; D189-G192 PolarHBondContact OD2-N 2.86Å
190	P	88.2	Confident	94.7	Very high	14 Å²	14	50.6 Å²	50.6	9%	0.091	28%	0.283	C	S	.	.			trans	-83.5	-0.5	170	32.1	-32.3	0	0	0	113.4	L181 S188 M193 L285 F289	L181-P190 HydrophobicContact CD1-CB 4.22Å; L181-P190 HydrophobicContact CG-CB 4.42Å; S188-P190 WeakPolarHBondContact O-CD 3.3Å; P190-M193 HydrophobicContact CB-CE 4.41Å; P190-M193 WeakPolarHBondContact O-CE 3.46Å; P190-L285 HydrophobicContact CB-CD2 4.33Å; P190-L285 HydrophobicContact CG-CD2 4.34Å; P190-F289 HydrophobicContact CG-CE1 3.7Å; P190-F289 HydrophobicContact CG-CZ 3.96Å
191	S	89.7	Confident	94.6	Very high	63 Å²	63	55.1 Å²	55.1	44%	0.441	31%	0.313	S	S	.	.	S	Bend	trans	-73.5	-35.8	176.1	79.7	0	0	0	0	112	D189 M193 K229	D189-S191 VanDerWaalsContact C-N 3.31Å; D189-S191 WeakPolarHBondContact OD1-CA 3.37Å; D189-S191 WeakPolarHBondContact OD1-CB 3.13Å; D189-S191 PolarHBondContact OD1-N 2.98Å; D189-S191 PolarHBondContact OD1-OG 3.3Å; D189-S191 PolarHBondContact OD2-OG 3.22Å; S191-M193 PolarHBondContact O-N 2.81Å; S191-K229 WeakPolarHBondContact O-CE 3.15Å; S191-K229 PolarHBondContact O-NZ 3.06Å
192	G	91.9	Very high	94.5	Very high	29 Å²	29	59.8 Å²	59.8	30%	0.299	35%	0.346	S	S	.	.	S	Bend	trans	-60.2	-25.7	175.5	0	0	0	0	0	114.7	H186 D189 K229	H186-G192 VanDerWaalsContact CE1-CA 3.47Å; H186-G192 WeakPolarHBondContact CE1-CA 3.38Å; D189-G192 PolarHBondContact OD2-N 2.86Å; G192-K229 PolarHBondContact O-NZ 3.43Å
193	M	96.4	Very high	94.4	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.005	35%	0.351	C	S	.	.			trans	-28.1	135	-163.9	71.6	166.9	70	0	0	117.8	L181 E183 P190 S191 R196 W227 K229 V235 L285	L181-M193 HydrophobicContact CD1-CE 3.74Å; E183-M193 WeakPolarHBondContact OE2-CA 3.19Å; E183-M193 WeakPolarHBondContact OE2-CB 3.42Å; P190-M193 HydrophobicContact CB-CE 4.41Å; P190-M193 WeakPolarHBondContact O-CE 3.46Å; S191-M193 PolarHBondContact O-N 2.81Å; M193-R196 PolarHBondContact O-NH1 2.8Å; M193-W227 HydrophobicContact CE-CB 4.38Å; M193-K229 HydrophobicContact CG-CB 4.33Å; M193-K229 WeakPolarHBondContact O-CE 3.49Å; M193-K229 PolarHBondContact O-NZ 2.88Å; M193-V235 HydrophobicContact CE-CG1 3.81Å; M193-V235 HydrophobicContact CE-CG2 3.9Å; M193-V235 HydrophobicContact CG-CG2 4.35Å; M193-V235 HydrophobicContact SD-CG1 3.94Å; M193-V235 HydrophobicContact SD-CG2 3.77Å; M193-L285 HydrophobicContact CE-CD2 4.28Å
194	E	97.6	Very high	94.4	Very high	100 Å²	100	67.5 Å²	67.5	47%	0.467	38%	0.378	S	S	.	.			trans	-89.7	-29.9	-174.6	-68.9	175.4	-163.5	0	0	113.4	E183 N185 H186 R196	E183-E194 PolarHBondContact OE2-N 2.79Å; N185-E194 PolarHBondContact ND2-OE1 3.45Å; H186-E194 IonicContact NE2-OE1 2.72Å; E194-R196 PolarHBondContact O-N 3.08Å; E194-R196 PolarHBondContact O-NH1 2.9Å
195	T	98.4	Very high	94.7	Very high	1 Å²	1	64.7 Å²	64.7	1%	0.006	36%	0.36	C	S	.	.			trans	-56.9	128.6	177.7	-56.4	0	0	0	0	110.5	E183 N209 K212 A228 K229 M268	E183-T195 WeakPolarHBondContact OE1-CB 3.28Å; E183-T195 PolarHBondContact OE1-N 2.86Å; E183-T195 PolarHBondContact OE1-OG1 2.94Å; T195-N209 WeakPolarHBondContact CA-O 3.16Å; T195-K212 WeakPolarHBondContact OG1-CE 3.49Å; T195-K212 PolarHBondContact OG1-NZ 3.05Å; T195-A228 HydrophobicContact CG2-CB 3.72Å; T195-K229 PolarHBondContact O-N 3.14Å; T195-M268 HydrophobicContact CG2-CE 3.7Å; T195-M268 HydrophobicContact CG2-SD 4.49Å
196	R	98.3	Very high	95	Very high	106 Å²	106	60.5 Å²	60.5	40%	0.4	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	151.8	179	-64.5	-66.5	169.6	-90.4	-2.5	111.7	M193 E194 L208 N209 K229	M193-R196 PolarHBondContact O-NH1 2.8Å; E194-R196 PolarHBondContact O-N 3.08Å; E194-R196 PolarHBondContact O-NH1 2.9Å; R196-L208 WeakPolarHBondContact O-CA 3.39Å; R196-N209 PolarHBondContact N-O 3.09Å; R196-N209 PolarHBondContact O-N 2.95Å; R196-N209 VanDerWaalsContact O-N 3.08Å; R196-K229 VanDerWaalsContact CA-O 3.3Å; R196-K229 WeakPolarHBondContact CA-O 3.42Å
197	A	98.4	Very high	95.3	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	103	168.9	0	0	0	0	0	109	Y206 T207 L208 A228 K229 C230 F238	A197-Y206 HydrophobicContact CB-CD1 4.34Å; A197-T207 WeakPolarHBondContact CA-O 3.37Å; A197-L208 HydrophobicContact CB-CD1 3.59Å; A197-L208 HydrophobicContact CB-CG 3.91Å; A197-A228 HydrophobicContact CB-CB 3.81Å; A197-K229 PolarHBondContact N-O 3.1Å; A197-C230 WeakPolarHBondContact O-CA 3.41Å; A197-F238 HydrophobicContact CB-CD2 4.46Å; A197-F238 HydrophobicContact CB-CE1 4.36Å; A197-F238 HydrophobicContact CB-CE2 3.57Å; A197-F238 HydrophobicContact CB-CZ 3.5Å
198	K	98.2	Very high	95.7	Very high	132 Å²	132	58.3 Å²	58.3	57%	0.574	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	128.7	-177.6	-178.7	-176.7	177.7	-174.2	0	110.1	Y206 T207 D231	K198-Y206 CarbonylContact O-C 3.59Å; K198-Y206 VanDerWaalsContact O-CA 3.27Å; K198-Y206 WeakPolarHBondContact O-CA 3.46Å; K198-T207 PolarHBondContact N-O 3.3Å; K198-T207 PolarHBondContact O-N 3.16Å; K198-D231 WeakPolarHBondContact CA-OD2 3.47Å
199	Y	98.1	Very high	96.2	Very high	70 Å²	70	58 Å²	58	28%	0.275	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	137.5	-179.5	-173.6	-127.1	0	0	0	112.5	P201 T205 Y206 D231	Y199-P201 HydrophobicContact CD1-CG 3.91Å; Y199-P201 HydrophobicContact CE1-CB 4.14Å; Y199-P201 HydrophobicContact CE1-CG 3.85Å; Y199-T205 WeakPolarHBondContact CD2-O 3.26Å; Y199-Y206 HydrophobicContact CD2-CD1 4.09Å; Y199-Y206 AromaticContact CD2-CD2 3.79Å; Y199-Y206 HydrophobicContact CD2-CD2 3.79Å; Y199-Y206 AromaticContact CD2-CE1 3.82Å; Y199-Y206 HydrophobicContact CD2-CE1 3.82Å; Y199-Y206 AromaticContact CD2-CE2 3.47Å; Y199-Y206 HydrophobicContact CD2-CE2 3.47Å; Y199-Y206 VanDerWaalsContact CD2-CE2 3.47Å; Y199-Y206 HydrophobicContact CD2-CG 4.08Å; Y199-Y206 AromaticContact CD2-CZ 3.48Å; Y199-Y206 VanDerWaalsContact CD2-CZ 3.48Å; Y199-Y206 HydrophobicContact CE2-CD2 4.28Å; Y199-Y206 AromaticContact CE2-CE2 3.82Å; Y199-Y206 HydrophobicContact CE2-CE2 3.82Å; Y199-Y206 HydrophobicContact CG-CD1 4.49Å; Y199-Y206 HydrophobicContact CG-CE1 4.05Å; Y199-Y206 HydrophobicContact CG-CE2 4.42Å; Y199-Y206 AromaticContact CG-CZ 3.99Å; Y199-D231 PolarHBondContact N-OD2 3.33Å
200	N	97.1	Very high	96.5	Very high	59 Å²	59	55.4 Å²	55.4	32%	0.316	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	102.4	171.2	-174.9	1	0	0	0	110.9	S202 S203 R204 T205	N200-S202 PolarHBondContact O-N 2.83Å; N200-S202 PolarHBondContact OD1-N 3.41Å; N200-S202 VanDerWaalsContact OD1-N 3.14Å; N200-S202 PolarHBondContact OD1-OG 2.94Å; N200-S203 WeakPolarHBondContact CB-OG 3.44Å; N200-S203 PolarHBondContact ND2-OG 2.84Å; N200-S203 PolarHBondContact O-OG 2.68Å; N200-R204 WeakPolarHBondContact O-CA 3.46Å; N200-R204 PolarHBondContact O-N 2.97Å; N200-T205 PolarHBondContact N-O 3.16Å; N200-T205 PolarHBondContact O-N 2.86Å
201	P	95.2	Very high	97	Very high	95 Å²	95	56.7 Å²	56.7	62%	0.617	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-20.1	179.6	-23.3	33.6	0	0	0	115.4	Y199	Y199-P201 HydrophobicContact CD1-CG 3.91Å; Y199-P201 HydrophobicContact CE1-CB 4.14Å; Y199-P201 HydrophobicContact CE1-CG 3.85Å
202	S	96.3	Very high	97.4	Very high	109 Å²	109	53.7 Å²	53.7	76%	0.762	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-33	-176.2	69.8	0	0	0	0	113.1	N200	N200-S202 PolarHBondContact O-N 2.83Å; N200-S202 PolarHBondContact OD1-N 3.41Å; N200-S202 VanDerWaalsContact OD1-N 3.14Å; N200-S202 PolarHBondContact OD1-OG 2.94Å
203	S	95.6	Very high	97.7	Very high	58 Å²	58	53 Å²	53	41%	0.406	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-15.1	174.5	49.1	0	0	0	0	113.5	N200 T205	N200-S203 WeakPolarHBondContact CB-OG 3.44Å; N200-S203 PolarHBondContact ND2-OG 2.84Å; N200-S203 PolarHBondContact O-OG 2.68Å; S203-T205 VanDerWaalsContact C-N 3.33Å; S203-T205 WeakPolarHBondContact CB-OG1 3.29Å; S203-T205 PolarHBondContact OG-OG1 3.08Å
204	R	97.2	Very high	97.8	Very high	158 Å²	158	60.7 Å²	60.7	60%	0.596	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	46	-168.5	-59.3	-179.5	63.9	-175	-2.2	112.1	N200 E275	N200-R204 WeakPolarHBondContact O-CA 3.46Å; N200-R204 PolarHBondContact O-N 2.97Å; R204-E275 HydrophobicContact CB-CB 4.43Å; R204-E275 IonicContact CZ-OE2 3.18Å; R204-E275 IonicContact NE-OE2 2.84Å; R204-E275 PolarHBondContact NE-OE2 3.46Å; R204-E275 IonicContact NH2-OE2 2.68Å; R204-E275 PolarHBondContact NH2-OE2 2.98Å; R204-E275 VanDerWaalsContact O-CB 3.29Å; R204-E275 WeakPolarHBondContact O-CB 3.43Å; R204-E275 PolarHBondContact O-N 3.41Å
205	T	97.9	Very high	97.8	Very high	19 Å²	19	56.3 Å²	56.3	12%	0.117	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	162.2	177.3	55.6	0	0	0	0	111.1	Y199 N200 S203 E272 V273	Y199-T205 WeakPolarHBondContact CD2-O 3.26Å; N200-T205 PolarHBondContact N-O 3.16Å; N200-T205 PolarHBondContact O-N 2.86Å; S203-T205 VanDerWaalsContact C-N 3.33Å; S203-T205 WeakPolarHBondContact CB-OG1 3.29Å; S203-T205 PolarHBondContact OG-OG1 3.08Å; T205-E272 WeakPolarHBondContact CB-OE2 3.4Å; T205-E272 PolarHBondContact OG1-OE2 2.97Å; T205-V273 CarbonylContact C-O 3.56Å; T205-V273 WeakPolarHBondContact CA-O 3.28Å
206	Y	98.4	Very high	97.8	Very high	24 Å²	24	57.2 Å²	57.2	9%	0.094	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	123.9	166.7	-70.6	-100.6	0	0	0	109.1	A197 K198 Y199 L208 F238 V273 L278	A197-Y206 HydrophobicContact CB-CD1 4.34Å; K198-Y206 CarbonylContact O-C 3.59Å; K198-Y206 VanDerWaalsContact O-CA 3.27Å; K198-Y206 WeakPolarHBondContact O-CA 3.46Å; Y199-Y206 HydrophobicContact CD2-CD1 4.09Å; Y199-Y206 AromaticContact CD2-CD2 3.79Å; Y199-Y206 HydrophobicContact CD2-CD2 3.79Å; Y199-Y206 AromaticContact CD2-CE1 3.82Å; Y199-Y206 HydrophobicContact CD2-CE1 3.82Å; Y199-Y206 AromaticContact CD2-CE2 3.47Å; Y199-Y206 HydrophobicContact CD2-CE2 3.47Å; Y199-Y206 VanDerWaalsContact CD2-CE2 3.47Å; Y199-Y206 HydrophobicContact CD2-CG 4.08Å; Y199-Y206 AromaticContact CD2-CZ 3.48Å; Y199-Y206 VanDerWaalsContact CD2-CZ 3.48Å; Y199-Y206 HydrophobicContact CE2-CD2 4.28Å; Y199-Y206 AromaticContact CE2-CE2 3.82Å; Y199-Y206 HydrophobicContact CE2-CE2 3.82Å; Y199-Y206 HydrophobicContact CG-CD1 4.49Å; Y199-Y206 HydrophobicContact CG-CE1 4.05Å; Y199-Y206 HydrophobicContact CG-CE2 4.42Å; Y199-Y206 AromaticContact CG-CZ 3.99Å; Y206-L208 PolarHBondContact O-N 3.15Å; Y206-F238 AromaticContact CD1-CE1 3.79Å; Y206-F238 HydrophobicContact CD1-CE1 3.79Å; Y206-F238 AromaticContact CD1-CZ 3.92Å; Y206-F238 HydrophobicContact CD1-CZ 3.92Å; Y206-F238 AromaticContact CD2-CE1 3.87Å; Y206-F238 HydrophobicContact CD2-CE1 3.87Å; Y206-F238 HydrophobicContact CE1-CE1 4.24Å; Y206-F238 HydrophobicContact CE1-CZ 4.27Å; Y206-F238 HydrophobicContact CE2-CE1 4.33Å; Y206-F238 AromaticContact CG-CE1 3.59Å; Y206-F238 HydrophobicContact CG-CE1 3.59Å; Y206-F238 HydrophobicContact CG-CZ 4.19Å; Y206-V273 PolarHBondContact N-O 3.41Å; Y206-V273 PolarHBondContact O-N 3.42Å; Y206-L278 HydrophobicContact CE2-CD2 4.2Å
207	T	98.6	Very high	97.9	Very high	32 Å²	32	52.1 Å²	52.1	20%	0.196	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	114.2	169.5	-42	0	0	0	0	108.5	A197 K198 E270 E272	A197-T207 WeakPolarHBondContact CA-O 3.37Å; K198-T207 PolarHBondContact N-O 3.3Å; K198-T207 PolarHBondContact O-N 3.16Å; T207-E270 HydrophobicContact CG2-CB 3.98Å; T207-E270 HydrophobicContact CG2-CG 4.4Å; T207-E272 VanDerWaalsContact CB-OE1 3.26Å; T207-E272 WeakPolarHBondContact CB-OE1 3.27Å; T207-E272 WeakPolarHBondContact CG2-OE1 3.4Å; T207-E272 PolarHBondContact OG1-OE1 2.95Å
208	L	98.7	Very high	97.9	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	130.1	176.6	-88.6	67	0	0	0	111	R196 A197 Y206 F238 L240 M268 E270 V271 V273	R196-L208 WeakPolarHBondContact O-CA 3.39Å; A197-L208 HydrophobicContact CB-CD1 3.59Å; A197-L208 HydrophobicContact CB-CG 3.91Å; Y206-L208 PolarHBondContact O-N 3.15Å; L208-F238 HydrophobicContact CD1-CD1 4.31Å; L208-F238 HydrophobicContact CD1-CE1 4.41Å; L208-F238 HydrophobicContact CD1-CG 4.39Å; L208-F238 HydrophobicContact CD2-CB 4.14Å; L208-F238 HydrophobicContact CD2-CD2 4.17Å; L208-F238 HydrophobicContact CD2-CG 4.13Å; L208-L240 HydrophobicContact CD2-CD1 3.97Å; L208-L240 HydrophobicContact CD2-CD2 4.25Å; L208-M268 HydrophobicContact CB-SD 4.4Å; L208-M268 HydrophobicContact CD2-SD 4.17Å; L208-E270 PolarHBondContact O-N 3.32Å; L208-V271 HydrophobicContact CB-CB 4.37Å; L208-V271 PolarHBondContact N-O 3.29Å; L208-V271 PolarHBondContact O-N 3.47Å; L208-V273 HydrophobicContact CD1-CB 4.29Å; L208-V273 HydrophobicContact CD1-CG2 4Å; L208-V273 HydrophobicContact CD2-CG2 4.22Å
209	N	98.7	Very high	97.9	Very high	74 Å²	74	47 Å²	47	40%	0.396	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	133.9	173.3	-163.9	-63.5	0	0	0	110.7	T195 R196 M268 D269 E270	T195-N209 WeakPolarHBondContact CA-O 3.16Å; R196-N209 PolarHBondContact N-O 3.09Å; R196-N209 PolarHBondContact O-N 2.95Å; R196-N209 VanDerWaalsContact O-N 3.08Å; N209-M268 WeakPolarHBondContact CA-O 3.49Å; N209-D269 PolarHBondContact ND2-OD1 3.11Å; N209-E270 PolarHBondContact ND2-N 2.87Å
210	G	98.3	Very high	97.9	Very high	20 Å²	20	46.1 Å²	46.1	21%	0.206	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	149.3	-173.3	178.1	0	0	0	0	0	113.8	M268	G210-M268 PolarHBondContact N-O 2.84Å; G210-M268 PolarHBondContact O-N 3.06Å
211	S	98.1	Very high	97.9	Very high	40 Å²	40	43.5 Å²	43.5	28%	0.28	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	141.9	176.7	73.4	0	0	0	0	113.3	I266	S211-I266 CarbonylContact C-O 3.58Å; S211-I266 WeakPolarHBondContact CA-O 3.24Å
212	K	98.6	Very high	98.1	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	147	172.3	-50.5	-57.2	-165.8	172.1	0	109.5	G180 L181 T182 E183 T195 I215 V226 W227 M265 I266 M268	G180-K212 WeakPolarHBondContact O-CE 3.41Å; L181-K212 PolarHBondContact O-NZ 3.4Å; T182-K212 CarbonylContact O-C 3.6Å; T182-K212 WeakPolarHBondContact O-CA 3.41Å; T182-K212 WeakPolarHBondContact O-CB 3.36Å; E183-K212 HydrophobicContact CG-CD 3.77Å; E183-K212 IonicContact OE1-NZ 3.96Å; E183-K212 PolarHBondContact OE1-NZ 3Å; T195-K212 WeakPolarHBondContact OG1-CE 3.49Å; T195-K212 PolarHBondContact OG1-NZ 3.05Å; K212-I215 HydrophobicContact CB-CD1 3.93Å; K212-I215 HydrophobicContact CB-CG1 3.83Å; K212-V226 HydrophobicContact CG-CG1 4.32Å; K212-W227 WeakPolarHBondContact CE-O 3.46Å; K212-W227 PolarHBondContact NZ-O 2.83Å; K212-M265 CarbonylContact O-C 3.47Å; K212-M265 WeakPolarHBondContact O-CA 3.49Å; K212-M265 VanDerWaalsContact O-CB 3.27Å; K212-M265 WeakPolarHBondContact O-CB 3.42Å; K212-I266 HydrophobicContact CB-CB 4.11Å; K212-I266 HydrophobicContact CG-CB 4.41Å; K212-I266 PolarHBondContact N-O 3.47Å; K212-I266 PolarHBondContact O-N 3.37Å; K212-M268 HydrophobicContact CG-CE 4.12Å
213	T	98.2	Very high	98.2	Very high	16 Å²	16	36.7 Å²	36.7	10%	0.098	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	162.1	-176.5	-167.9	0	0	0	0	112.5	T182 P184 I215	T182-T213 PolarHBondContact O-N 2.8Å; P184-T213 HydrophobicContact CG-CG2 4.05Å; T213-I215 WeakPolarHBondContact O-CD1 3.5Å; T213-I215 PolarHBondContact O-N 2.85Å
214	W	98	Very high	98.3	Very high	162 Å²	162	34 Å²	34	61%	0.614	17%	0.171	S	C	*	.	E	Extended strand (participates in β ladder)	trans	57.1	34.2	-170.4	-61.4	109.5	0	0	0	113.9	T216 I252 K255 T263 G264	W214-T216 PolarHBondContact O-N 3.2Å; W214-I252 HydrophobicContact CD2-CD1 4.15Å; W214-I252 HydrophobicContact CE3-CD1 4Å; W214-I252 HydrophobicContact CE3-CG2 4.46Å; W214-I252 HydrophobicContact CH2-CG2 3.88Å; W214-I252 HydrophobicContact CZ3-CD1 4.35Å; W214-I252 HydrophobicContact CZ3-CG2 3.75Å; W214-K255 HydrophobicContact CZ3-CG 4.37Å; W214-T263 HydrophobicContact CE3-CG2 4.27Å; W214-G264 PolarHBondContact N-O 2.68Å
215	I	98.6	Very high	98.4	Very high	7 Å²	7	26.4 Å²	26.4	4%	0.036	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	106.3	-175.3	-48.3	-53	0	0	0	109.9	C178 F179 K212 T213 S218 T263 G264 I266	C178-I215 HydrophobicContact CB-CG2 3.99Å; F179-I215 WeakPolarHBondContact O-CG2 3.41Å; K212-I215 HydrophobicContact CB-CD1 3.93Å; K212-I215 HydrophobicContact CB-CG1 3.83Å; T213-I215 WeakPolarHBondContact O-CD1 3.5Å; T213-I215 PolarHBondContact O-N 2.85Å; I215-S218 PolarHBondContact O-N 3.31Å; I215-S218 PolarHBondContact O-OG 3.13Å; I215-T263 WeakPolarHBondContact O-CA 3.36Å; I215-G264 PolarHBondContact N-O 3.36Å; I215-G264 PolarHBondContact O-N 2.97Å; I215-I266 HydrophobicContact CG1-CD1 4.42Å; I215-I266 HydrophobicContact CG1-CG1 4.38Å; I215-I266 HydrophobicContact CG2-CD1 3.99Å; I215-I266 HydrophobicContact CG2-CG1 4.37Å
216	T	98.5	Very high	98.5	Very high	20 Å²	20	25.5 Å²	25.5	12%	0.123	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	147.3	170.6	-67	0	0	0	0	111	V145 C178 W214 S218 A262	V145-T216 HydrophobicContact CG2-CG2 3.9Å; C178-T216 VanDerWaalsContact CB-O 3.27Å; C178-T216 WeakPolarHBondContact CB-O 3.42Å; W214-T216 PolarHBondContact O-N 3.2Å; T216-S218 PolarHBondContact O-N 3.07Å; T216-A262 CarbonylContact C-O 3.52Å; T216-A262 WeakPolarHBondContact CA-O 3.46Å
217	N	98.4	Very high	98.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	-19.8	-172.5	-56.2	-17.4	0	0	0	115.7	V142 V145 L176 G177 C178 P219 V220 A221 A262	V142-N217 WeakPolarHBondContact CG2-OD1 3.36Å; V145-N217 WeakPolarHBondContact CG1-ND2 3.26Å; L176-N217 HydrophobicContact CD1-CB 4.32Å; L176-N217 WeakPolarHBondContact CD1-ND2 3.43Å; L176-N217 HydrophobicContact CD2-CB 4.19Å; L176-N217 HydrophobicContact CG-CB 4.14Å; G177-N217 VanDerWaalsContact O-CB 3.28Å; G177-N217 WeakPolarHBondContact O-CB 3.46Å; G177-N217 PolarHBondContact O-ND2 2.86Å; C178-N217 HydrophobicContact CB-CB 4.02Å; N217-P219 VanDerWaalsContact C-CD 3.42Å; N217-P219 WeakPolarHBondContact O-CD 3.43Å; N217-P219 VanDerWaalsContact O-N 3.09Å; N217-V220 CarbonylContact O-C 3.5Å; N217-V220 VanDerWaalsContact O-CG2 3.24Å; N217-V220 WeakPolarHBondContact O-CG2 3.47Å; N217-V220 PolarHBondContact O-N 3.28Å; N217-A221 HydrophobicContact CB-CB 4.22Å; N217-A221 WeakPolarHBondContact O-CB 3.26Å; N217-A221 PolarHBondContact O-N 2.85Å; N217-A262 PolarHBondContact N-O 3.22Å
218	S	98.6	Very high	98.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-53	-38.8	-166.2	72.4	0	0	0	0	116.2	I215 T216 V220 R242 T249 G264 M265	I215-S218 PolarHBondContact O-N 3.31Å; I215-S218 PolarHBondContact O-OG 3.13Å; T216-S218 PolarHBondContact O-N 3.07Å; S218-V220 PolarHBondContact O-N 3.39Å; S218-V220 VanDerWaalsContact O-N 3.14Å; S218-R242 PolarHBondContact O-NH2 3.05Å; S218-T249 WeakPolarHBondContact O-CB 3.4Å; S218-T249 WeakPolarHBondContact O-CG2 3.09Å; S218-T249 PolarHBondContact O-OG1 3.22Å; S218-G264 VanDerWaalsContact OG-C 3.28Å; S218-G264 WeakPolarHBondContact OG-CA 3.35Å; S218-M265 WeakPolarHBondContact CB-O 3.49Å; S218-M265 PolarHBondContact OG-O 2.92Å
219	P	98.4	Very high	98.4	Very high	23 Å²	23	24.5 Å²	24.5	15%	0.149	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-63.9	-22.5	179.1	-22.5	35.9	0	0	0	114.3	N217 R242 T249 K251	N217-P219 VanDerWaalsContact C-CD 3.42Å; N217-P219 WeakPolarHBondContact O-CD 3.43Å; N217-P219 VanDerWaalsContact O-N 3.09Å; P219-R242 VanDerWaalsContact C-NH2 3.27Å; P219-R242 PolarHBondContact O-NH1 2.95Å; P219-R242 PolarHBondContact O-NH2 3.29Å; P219-R242 VanDerWaalsContact O-NH2 3.08Å; P219-T249 WeakPolarHBondContact CA-O 3.24Å; P219-K251 HydrophobicContact CB-CB 4.23Å; P219-K251 HydrophobicContact CG-CB 3.97Å; P219-K251 HydrophobicContact CG-CG 4.45Å
220	V	98	Very high	98.3	Very high	53 Å²	53	21.4 Å²	21.4	32%	0.321	11%	0.114	S	C	.	.	G	3₁₀ helix	trans	-124.5	2.8	-173.6	-66.8	0	0	0	0	113.6	F94 L176 N217 S218 A262	F94-V220 HydrophobicContact CD1-CG2 3.87Å; F94-V220 HydrophobicContact CE1-CG2 3.8Å; L176-V220 HydrophobicContact CD2-CB 4.48Å; L176-V220 HydrophobicContact CD2-CG2 3.81Å; N217-V220 CarbonylContact O-C 3.5Å; N217-V220 VanDerWaalsContact O-CG2 3.24Å; N217-V220 WeakPolarHBondContact O-CG2 3.47Å; N217-V220 PolarHBondContact O-N 3.28Å; S218-V220 PolarHBondContact O-N 3.39Å; S218-V220 VanDerWaalsContact O-N 3.14Å; V220-A262 HydrophobicContact CG1-CB 4.49Å; V220-A262 HydrophobicContact CG2-CB 3.63Å
221	A	98.3	Very high	98.1	Very high	3 Å²	3	26.1 Å²	26.1	3%	0.025	14%	0.135	C	C	.	.			trans	-80.6	135.3	-179.8	0	0	0	0	0	112.1	L176 C178 N217 R242	L176-A221 CarbonylContact O-C 3.58Å; L176-A221 WeakPolarHBondContact O-CA 3.47Å; L176-A221 WeakPolarHBondContact O-CB 3.36Å; C178-A221 HydrophobicContact CB-CB 3.72Å; N217-A221 HydrophobicContact CB-CB 4.22Å; N217-A221 WeakPolarHBondContact O-CB 3.26Å; N217-A221 PolarHBondContact O-N 2.85Å; A221-R242 VanDerWaalsContact O-CZ 3.23Å; A221-R242 PolarHBondContact O-NE 3.49Å; A221-R242 PolarHBondContact O-NH2 3.31Å
222	D	98.6	Very high	97.9	Very high	55 Å²	55	27.7 Å²	27.7	29%	0.294	14%	0.14	S	C	.	.	S	Bend	trans	-78.7	-32.7	176.4	-55.5	-66.1	0	0	0	111.2	R96 I175 L176 R242	R96-D222 IonicContact CZ-OD2 3.81Å; R96-D222 IonicContact NE-OD2 3.15Å; R96-D222 IonicContact NH2-OD2 2.73Å; R96-D222 PolarHBondContact NH2-OD2 2.69Å; I175-D222 WeakPolarHBondContact CA-OD2 3.38Å; I175-D222 HydrophobicContact CB-CB 3.97Å; I175-D222 HydrophobicContact CG2-CB 4.25Å; L176-D222 PolarHBondContact N-OD2 3.35Å; L176-D222 PolarHBondContact O-N 3.09Å; D222-R242 PolarHBondContact O-N 3.01Å
223	V	98.5	Very high	97.6	Very high	7 Å²	7	30.1 Å²	30.1	4%	0.042	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	153.5	177.5	-58.8	0	0	0	0	112.7	V150 Y166 L170 I175 L176 G177 C178 L240 E241	V150-V223 HydrophobicContact CG1-CG2 4.32Å; Y166-V223 HydrophobicContact CD1-CG1 4.42Å; Y166-V223 HydrophobicContact CE1-CG1 4.38Å; L170-V223 HydrophobicContact CD2-CG2 4.14Å; I175-V223 HydrophobicContact CD1-CG1 4.24Å; L176-V223 PolarHBondContact O-N 2.82Å; G177-V223 CarbonylContact C-O 3.47Å; G177-V223 WeakPolarHBondContact CA-O 3.31Å; C178-V223 PolarHBondContact N-O 3.35Å; C178-V223 PolarHBondContact SG-O 3.2Å; V223-L240 CarbonylContact C-O 3.55Å; V223-L240 WeakPolarHBondContact CA-O 3.15Å; V223-E241 HydrophobicContact CG1-CG 4.37Å
224	A	98.8	Very high	97.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	124.6	177.4	0	0	0	0	0	111.7	C178 V226 I239 L240 F247 I266	C178-A224 WeakPolarHBondContact O-CA 3.24Å; C178-A224 WeakPolarHBondContact SG-CB 3.5Å; A224-V226 HydrophobicContact CB-CG2 3.99Å; A224-I239 WeakPolarHBondContact O-CA 3.48Å; A224-L240 HydrophobicContact CB-CB 4.38Å; A224-L240 PolarHBondContact N-O 2.82Å; A224-L240 PolarHBondContact O-N 3.26Å; A224-F247 HydrophobicContact CB-CE2 4.17Å; A224-F247 HydrophobicContact CB-CZ 3.83Å; A224-I266 HydrophobicContact CB-CD1 4.05Å
225	V	98.8	Very high	97.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	103.3	168.8	177.5	0	0	0	0	107.9	V150 P153 I154 C178 F179 G180 W227 F238 L279	V150-V225 HydrophobicContact CB-CG2 4.42Å; V150-V225 HydrophobicContact CG1-CG2 4.02Å; V150-V225 HydrophobicContact CG2-CG2 4.33Å; P153-V225 HydrophobicContact CB-CG1 4.38Å; P153-V225 HydrophobicContact CG-CG1 4.2Å; I154-V225 HydrophobicContact CD1-CG2 4.41Å; I154-V225 HydrophobicContact CG1-CG2 4.44Å; C178-V225 PolarHBondContact O-N 3.38Å; F179-V225 CarbonylContact C-O 3.52Å; F179-V225 WeakPolarHBondContact CA-O 3.26Å; F179-V225 HydrophobicContact CD2-CB 4.43Å; F179-V225 HydrophobicContact CD2-CG1 4.34Å; G180-V225 PolarHBondContact N-O 2.95Å; V225-W227 HydrophobicContact CG1-CZ2 4.43Å; V225-F238 CarbonylContact C-O 3.59Å; V225-F238 WeakPolarHBondContact CA-O 3.23Å; V225-L279 HydrophobicContact CG1-CD1 4.07Å
226	V	98.8	Very high	97.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	137.8	-174	-176.7	0	0	0	0	111.2	G180 K212 A224 G237 F238 L240 I266 M268	G180-V226 WeakPolarHBondContact O-CA 3.28Å; K212-V226 HydrophobicContact CG-CG1 4.32Å; A224-V226 HydrophobicContact CB-CG2 3.99Å; V226-G237 CarbonylContact O-C 3.5Å; V226-G237 WeakPolarHBondContact O-CA 3.34Å; V226-F238 PolarHBondContact N-O 3.3Å; V226-F238 PolarHBondContact O-N 3.02Å; V226-L240 HydrophobicContact CB-CD1 4.08Å; V226-L240 HydrophobicContact CG2-CD1 4.02Å; V226-L240 HydrophobicContact CG2-CD2 4.34Å; V226-I266 HydrophobicContact CG2-CD1 4.1Å; V226-M268 HydrophobicContact CG1-CE 4Å; V226-M268 HydrophobicContact CG1-SD 3.78Å; V226-M268 HydrophobicContact CG2-SD 4.38Å
227	W	98.6	Very high	97.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	122.4	175.7	-58.9	91.1	0	0	0	111	P153 Y157 F179 G180 L181 M193 K212 V225 V235 R236 G237 L279 A282 P288	P153-W227 HydrophobicContact CB-CZ2 4.45Å; Y157-W227 HydrophobicContact CD2-CH2 4.33Å; F179-W227 AromaticContact CD2-NE1 3.6Å; F179-W227 AromaticContact CE2-CD1 3.87Å; F179-W227 AromaticContact CE2-CE2 3.89Å; F179-W227 HydrophobicContact CE2-CZ2 4.25Å; F179-W227 AromaticContact CE2-NE1 2.96Å; F179-W227 AromaticContact CZ-CD1 3.93Å; F179-W227 AromaticContact CZ-NE1 3.33Å; F179-W227 VanDerWaalsContact CZ-NE1 3.33Å; G180-W227 PolarHBondContact O-N 3.17Å; L181-W227 HydrophobicContact CD1-CB 3.86Å; L181-W227 HydrophobicContact CD1-CG 4.06Å; M193-W227 HydrophobicContact CE-CB 4.38Å; K212-W227 WeakPolarHBondContact CE-O 3.46Å; K212-W227 PolarHBondContact NZ-O 2.83Å; V225-W227 HydrophobicContact CG1-CZ2 4.43Å; W227-V235 HydrophobicContact CB-CG1 3.98Å; W227-V235 HydrophobicContact CE3-CG1 4.15Å; W227-R236 WeakPolarHBondContact CA-O 3.27Å; W227-G237 VanDerWaalsContact CE3-CA 3.41Å; W227-L279 HydrophobicContact CH2-CD1 4.46Å; W227-A282 HydrophobicContact CH2-CB 3.9Å; W227-A282 HydrophobicContact CZ3-CB 3.8Å; W227-P288 HydrophobicContact CD2-CB 3.91Å; W227-P288 HydrophobicContact CD2-CG 4.04Å; W227-P288 HydrophobicContact CE3-CB 4.48Å; W227-P288 HydrophobicContact CE3-CG 4.17Å; W227-P288 HydrophobicContact CG-CB 4.15Å; W227-P288 HydrophobicContact CG-CG 4.4Å; W227-P288 HydrophobicContact CZ2-CB 4.22Å
228	A	98.4	Very high	97.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	151.6	-177	0	0	0	0	0	111.1	T195 A197 V235 R236 F238	T195-A228 HydrophobicContact CG2-CB 3.72Å; A197-A228 HydrophobicContact CB-CB 3.81Å; A228-V235 CarbonylContact O-C 3.45Å; A228-V235 WeakPolarHBondContact O-CA 3.2Å; A228-R236 PolarHBondContact N-O 3.47Å; A228-R236 PolarHBondContact O-N 3.2Å; A228-F238 HydrophobicContact CB-CD2 4.24Å; A228-F238 HydrophobicContact CB-CE2 4.06Å
229	K	97.9	Very high	97.4	Very high	35 Å²	35	27.9 Å²	27.9	15%	0.152	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	123.5	179.6	-167	176.4	-69.3	165.3	0	109.9	S191 G192 M193 T195 R196 A197	S191-K229 WeakPolarHBondContact O-CE 3.15Å; S191-K229 PolarHBondContact O-NZ 3.06Å; G192-K229 PolarHBondContact O-NZ 3.43Å; M193-K229 HydrophobicContact CG-CB 4.33Å; M193-K229 WeakPolarHBondContact O-CE 3.49Å; M193-K229 PolarHBondContact O-NZ 2.88Å; T195-K229 PolarHBondContact O-N 3.14Å; R196-K229 VanDerWaalsContact CA-O 3.3Å; R196-K229 WeakPolarHBondContact CA-O 3.42Å; A197-K229 PolarHBondContact N-O 3.1Å
230	C	96.6	Very high	97.4	Very high	9 Å²	9	26.8 Å²	26.8	6%	0.061	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	171.7	179.6	-58.6	0	0	0	0	112.3	A197 D232 G233 K234 R236	A197-C230 WeakPolarHBondContact O-CA 3.41Å; C230-D232 PolarHBondContact O-N 3.33Å; C230-G233 WeakPolarHBondContact O-CA 3.45Å; C230-G233 PolarHBondContact O-N 2.99Å; C230-K234 PolarHBondContact N-O 2.89Å; C230-R236 PolarHBondContact SG-NH1 2.85Å
231	D	93.9	Very high	97.4	Very high	118 Å²	118	27.4 Å²	27.4	63%	0.631	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-25.3	179.8	-54.4	-56.8	0	0	0	113.6	K198 Y199 G233	K198-D231 WeakPolarHBondContact CA-OD2 3.47Å; Y199-D231 PolarHBondContact N-OD2 3.33Å; D231-G233 PolarHBondContact O-N 2.89Å
232	D	93.3	Very high	97.3	Very high	74 Å²	74	32.5 Å²	32.5	40%	0.396	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	13.3	172.3	80	-24	0	0	0	114	C230 K234 R236	C230-D232 PolarHBondContact O-N 3.33Å; D232-K234 PolarHBondContact O-N 3.28Å; D232-K234 VanDerWaalsContact O-N 3.16Å; D232-K234 WeakPolarHBondContact OD1-CB 3.01Å; D232-K234 PolarHBondContact OD1-N 3.35Å; D232-K234 VanDerWaalsContact OD2-CD 3.32Å; D232-K234 WeakPolarHBondContact OD2-CD 3.17Å; D232-K234 WeakPolarHBondContact OD2-CE 3.39Å; D232-K234 IonicContact OD2-NZ 2.73Å; D232-K234 PolarHBondContact OD2-NZ 3.16Å; D232-R236 IonicContact OD1-CZ 3.48Å; D232-R236 IonicContact OD1-NH1 2.69Å; D232-R236 PolarHBondContact OD1-NH1 3.01Å; D232-R236 IonicContact OD1-NH2 3.09Å; D232-R236 PolarHBondContact OD1-NH2 3.48Å; D232-R236 IonicContact OD2-CZ 3.51Å; D232-R236 IonicContact OD2-NH1 3.41Å; D232-R236 IonicContact OD2-NH2 3.3Å; D232-R236 PolarHBondContact OD2-NH2 2.96Å
233	G	92.8	Very high	97.2	Very high	51 Å²	51	33.5 Å²	33.5	53%	0.526	19%	0.189	S	C	.	.	S	Bend	trans	74.4	-8.8	-179.3	0	0	0	0	0	115.1	C230 D231	C230-G233 WeakPolarHBondContact O-CA 3.45Å; C230-G233 PolarHBondContact O-N 2.99Å; D231-G233 PolarHBondContact O-N 2.89Å
234	K	94.8	Very high	97.2	Very high	102 Å²	102	35 Å²	35	44%	0.443	20%	0.197	S	C	.	.			trans	-85.7	138.7	-175.5	-55.6	-178.8	-164.4	120	0	111.2	C230 D232	C230-K234 PolarHBondContact N-O 2.89Å; D232-K234 PolarHBondContact O-N 3.28Å; D232-K234 VanDerWaalsContact O-N 3.16Å; D232-K234 WeakPolarHBondContact OD1-CB 3.01Å; D232-K234 PolarHBondContact OD1-N 3.35Å; D232-K234 VanDerWaalsContact OD2-CD 3.32Å; D232-K234 WeakPolarHBondContact OD2-CD 3.17Å; D232-K234 WeakPolarHBondContact OD2-CE 3.39Å; D232-K234 IonicContact OD2-NZ 2.73Å; D232-K234 PolarHBondContact OD2-NZ 3.16Å
235	V	97.2	Very high	97.2	Very high	7 Å²	7	44.4 Å²	44.4	4%	0.042	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	133.2	167.1	-178.8	0	0	0	0	109.1	M193 W227 A228 G284 L285	M193-V235 HydrophobicContact CE-CG1 3.81Å; M193-V235 HydrophobicContact CE-CG2 3.9Å; M193-V235 HydrophobicContact CG-CG2 4.35Å; M193-V235 HydrophobicContact SD-CG1 3.94Å; M193-V235 HydrophobicContact SD-CG2 3.77Å; W227-V235 HydrophobicContact CB-CG1 3.98Å; W227-V235 HydrophobicContact CE3-CG1 4.15Å; A228-V235 CarbonylContact O-C 3.45Å; A228-V235 WeakPolarHBondContact O-CA 3.2Å; V235-G284 PolarHBondContact O-N 2.97Å; V235-L285 HydrophobicContact CG2-CD2 4.16Å
236	R	97.9	Very high	97.2	Very high	49 Å²	49	45.8 Å²	45.8	19%	0.185	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	157.8	171.9	-73.6	-178.4	-175.5	70.4	-2	110	W227 A228 C230 D232 F238 L278	W227-R236 WeakPolarHBondContact CA-O 3.27Å; A228-R236 PolarHBondContact N-O 3.47Å; A228-R236 PolarHBondContact O-N 3.2Å; C230-R236 PolarHBondContact SG-NH1 2.85Å; D232-R236 IonicContact OD1-CZ 3.48Å; D232-R236 IonicContact OD1-NH1 2.69Å; D232-R236 PolarHBondContact OD1-NH1 3.01Å; D232-R236 IonicContact OD1-NH2 3.09Å; D232-R236 PolarHBondContact OD1-NH2 3.48Å; D232-R236 IonicContact OD2-CZ 3.51Å; D232-R236 IonicContact OD2-NH1 3.41Å; D232-R236 IonicContact OD2-NH2 3.3Å; D232-R236 PolarHBondContact OD2-NH2 2.96Å; R236-F238 HydrophobicContact CB-CE2 3.73Å; R236-F238 HydrophobicContact CB-CZ 3.94Å; R236-L278 HydrophobicContact CB-CD1 3.76Å; R236-L278 HydrophobicContact CG-CD1 4.18Å
237	G	98.4	Very high	97.2	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	135.6	177.9	0	0	0	0	0	111.2	V226 W227 L279	V226-G237 CarbonylContact O-C 3.5Å; V226-G237 WeakPolarHBondContact O-CA 3.34Å; W227-G237 VanDerWaalsContact CE3-CA 3.41Å; G237-L279 WeakPolarHBondContact O-CB 3.45Å; G237-L279 PolarHBondContact O-N 3.38Å
238	F	98.8	Very high	97.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	143.6	-176.3	-61	-91.7	0	0	0	110.2	A197 Y206 L208 V225 V226 A228 R236 L240 V273 L278	A197-F238 HydrophobicContact CB-CD2 4.46Å; A197-F238 HydrophobicContact CB-CE1 4.36Å; A197-F238 HydrophobicContact CB-CE2 3.57Å; A197-F238 HydrophobicContact CB-CZ 3.5Å; Y206-F238 AromaticContact CD1-CE1 3.79Å; Y206-F238 HydrophobicContact CD1-CE1 3.79Å; Y206-F238 AromaticContact CD1-CZ 3.92Å; Y206-F238 HydrophobicContact CD1-CZ 3.92Å; Y206-F238 AromaticContact CD2-CE1 3.87Å; Y206-F238 HydrophobicContact CD2-CE1 3.87Å; Y206-F238 HydrophobicContact CE1-CE1 4.24Å; Y206-F238 HydrophobicContact CE1-CZ 4.27Å; Y206-F238 HydrophobicContact CE2-CE1 4.33Å; Y206-F238 AromaticContact CG-CE1 3.59Å; Y206-F238 HydrophobicContact CG-CE1 3.59Å; Y206-F238 HydrophobicContact CG-CZ 4.19Å; L208-F238 HydrophobicContact CD1-CD1 4.31Å; L208-F238 HydrophobicContact CD1-CE1 4.41Å; L208-F238 HydrophobicContact CD1-CG 4.39Å; L208-F238 HydrophobicContact CD2-CB 4.14Å; L208-F238 HydrophobicContact CD2-CD2 4.17Å; L208-F238 HydrophobicContact CD2-CG 4.13Å; V225-F238 CarbonylContact C-O 3.59Å; V225-F238 WeakPolarHBondContact CA-O 3.23Å; V226-F238 PolarHBondContact N-O 3.3Å; V226-F238 PolarHBondContact O-N 3.02Å; A228-F238 HydrophobicContact CB-CD2 4.24Å; A228-F238 HydrophobicContact CB-CE2 4.06Å; R236-F238 HydrophobicContact CB-CE2 3.73Å; R236-F238 HydrophobicContact CB-CZ 3.94Å; F238-L240 HydrophobicContact CB-CD1 3.7Å; F238-V273 HydrophobicContact CD1-CG1 4.41Å; F238-L278 HydrophobicContact CD1-CB 4.3Å; F238-L278 HydrophobicContact CD1-CD1 4.09Å; F238-L278 HydrophobicContact CE1-CB 4.27Å; F238-L278 HydrophobicContact CE1-CD1 3.68Å; F238-L278 HydrophobicContact CE1-CG 4.5Å; F238-L278 HydrophobicContact CZ-CD1 3.93Å
239	I	98.8	Very high	97.1	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	116.1	174.5	-51.2	173.8	0	0	0	108.5	I154 Q162 Y166 A224 N277 L279	I154-I239 HydrophobicContact CD1-CD1 4.27Å; I154-I239 HydrophobicContact CG1-CD1 4.01Å; Q162-I239 HydrophobicContact CB-CD1 4.45Å; Q162-I239 HydrophobicContact CG-CD1 4.31Å; Y166-I239 HydrophobicContact CD2-CD1 3.81Å; Y166-I239 HydrophobicContact CE1-CG2 4.18Å; Y166-I239 HydrophobicContact CE2-CB 4.45Å; Y166-I239 HydrophobicContact CE2-CD1 3.44Å; Y166-I239 VanDerWaalsContact CE2-CD1 3.44Å; Y166-I239 HydrophobicContact CE2-CG2 3.92Å; A224-I239 WeakPolarHBondContact O-CA 3.48Å; I239-N277 HydrophobicContact CB-CB 4.41Å; I239-N277 PolarHBondContact N-O 3.32Å; I239-N277 WeakPolarHBondContact O-CB 3.45Å; I239-N277 PolarHBondContact O-ND2 3.36Å; I239-L279 HydrophobicContact CD1-CD2 3.95Å; I239-L279 HydrophobicContact CG1-CD2 4.17Å; I239-L279 HydrophobicContact CG1-CG 4.45Å
240	L	98.7	Very high	97.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	149.1	176	-70.8	69.4	0	0	0	109.2	L208 V223 A224 V226 F238 M244 F247 M268 V271 V273	L208-L240 HydrophobicContact CD2-CD1 3.97Å; L208-L240 HydrophobicContact CD2-CD2 4.25Å; V223-L240 CarbonylContact C-O 3.55Å; V223-L240 WeakPolarHBondContact CA-O 3.15Å; A224-L240 HydrophobicContact CB-CB 4.38Å; A224-L240 PolarHBondContact N-O 2.82Å; A224-L240 PolarHBondContact O-N 3.26Å; V226-L240 HydrophobicContact CB-CD1 4.08Å; V226-L240 HydrophobicContact CG2-CD1 4.02Å; V226-L240 HydrophobicContact CG2-CD2 4.34Å; F238-L240 HydrophobicContact CB-CD1 3.7Å; L240-M244 HydrophobicContact CB-SD 3.98Å; L240-M244 HydrophobicContact CG-SD 4.22Å; L240-F247 HydrophobicContact CB-CD2 4.26Å; L240-F247 HydrophobicContact CB-CE2 3.94Å; L240-F247 HydrophobicContact CB-CZ 4.5Å; L240-F247 HydrophobicContact CD2-CD2 3.6Å; L240-F247 HydrophobicContact CD2-CE2 3.74Å; L240-M268 HydrophobicContact CD2-CG 4.06Å; L240-M268 HydrophobicContact CD2-SD 3.95Å; L240-V271 HydrophobicContact CD2-CG1 4.09Å; L240-V273 HydrophobicContact CD1-CG2 4.09Å; L240-V273 HydrophobicContact CD2-CG2 4.31Å; L240-V273 HydrophobicContact CG-CG2 3.85Å
241	E	98.2	Very high	97.2	Very high	65 Å²	65	55.6 Å²	55.6	30%	0.304	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	142.9	-178.7	-61.5	-175	-137.7	0	0	110.4	K165 Y166 V223 G243 M244	K165-E241 IonicContact NZ-OE1 2.79Å; K165-E241 PolarHBondContact NZ-OE1 3.12Å; Y166-E241 PolarHBondContact OH-OE1 3.42Å; V223-E241 HydrophobicContact CG1-CG 4.37Å; E241-G243 PolarHBondContact O-N 2.73Å; E241-M244 HydrophobicContact CB-CE 4.17Å; E241-M244 HydrophobicContact CG-CE 4.33Å; E241-M244 PolarHBondContact N-SD 3.21Å; E241-M244 VanDerWaalsContact N-SD 3.36Å; E241-M244 WeakPolarHBondContact O-CG 3.49Å; E241-M244 PolarHBondContact O-N 2.67Å
242	R	96.6	Very high	97.4	Very high	111 Å²	111	51.2 Å²	51.2	42%	0.419	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	126.7	176.4	178.8	174.9	-63.7	-107.5	-18.6	110	S218 P219 A221 D222 T249	S218-R242 PolarHBondContact O-NH2 3.05Å; P219-R242 VanDerWaalsContact C-NH2 3.27Å; P219-R242 PolarHBondContact O-NH1 2.95Å; P219-R242 PolarHBondContact O-NH2 3.29Å; P219-R242 VanDerWaalsContact O-NH2 3.08Å; A221-R242 VanDerWaalsContact O-CZ 3.23Å; A221-R242 PolarHBondContact O-NE 3.49Å; A221-R242 PolarHBondContact O-NH2 3.31Å; D222-R242 PolarHBondContact O-N 3.01Å; R242-T249 PolarHBondContact NH2-OG1 2.7Å
243	G	96.4	Very high	97.7	Very high	75 Å²	75	53.4 Å²	53.4	77%	0.773	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	104.6	-5.7	-177.8	0	0	0	0	0	114.6	E241	E241-G243 PolarHBondContact O-N 2.73Å
244	M	98.4	Very high	97.9	Very high	40 Å²	40	53.6 Å²	53.6	20%	0.197	30%	0.295	C	S	.	.			trans	-56.6	137.9	165.1	-73.9	177.1	169	0	0	110.8	L240 E241 G246 F247 V271	L240-M244 HydrophobicContact CB-SD 3.98Å; L240-M244 HydrophobicContact CG-SD 4.22Å; E241-M244 HydrophobicContact CB-CE 4.17Å; E241-M244 HydrophobicContact CG-CE 4.33Å; E241-M244 PolarHBondContact N-SD 3.21Å; E241-M244 VanDerWaalsContact N-SD 3.36Å; E241-M244 WeakPolarHBondContact O-CG 3.49Å; E241-M244 PolarHBondContact O-N 2.67Å; M244-G246 PolarHBondContact O-N 3.47Å; M244-F247 HydrophobicContact CB-CB 4.07Å; M244-F247 WeakPolarHBondContact O-CB 3.27Å; M244-F247 PolarHBondContact O-N 3.34Å; M244-V271 HydrophobicContact CB-CG1 4.12Å; M244-V271 HydrophobicContact SD-CG1 4.33Å
245	K	98.4	Very high	98.1	Very high	196 Å²	196	49.6 Å²	49.6	85%	0.852	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	137.1	176.5	-173.7	-168.8	171.7	-158	0	109.6	F247	K245-F247 PolarHBondContact O-N 2.9Å
246	G	97.9	Very high	98.2	Very high	30 Å²	30	56.5 Å²	56.5	31%	0.309	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	-7.9	-179.6	0	0	0	0	0	115.1	M244 D269 V271	M244-G246 PolarHBondContact O-N 3.47Å; G246-D269 VanDerWaalsContact CA-O 3.29Å; G246-D269 WeakPolarHBondContact CA-O 3.3Å; G246-D269 PolarHBondContact O-N 2.94Å; G246-V271 VanDerWaalsContact C-CG2 3.42Å
247	F	98.3	Very high	98.2	Very high	25 Å²	25	55.2 Å²	55.2	11%	0.11	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	122.5	-179.4	-177.6	-97.1	0	0	0	111.1	A224 L240 M244 K245 T249 I266 M268 V271	A224-F247 HydrophobicContact CB-CE2 4.17Å; A224-F247 HydrophobicContact CB-CZ 3.83Å; L240-F247 HydrophobicContact CB-CD2 4.26Å; L240-F247 HydrophobicContact CB-CE2 3.94Å; L240-F247 HydrophobicContact CB-CZ 4.5Å; L240-F247 HydrophobicContact CD2-CD2 3.6Å; L240-F247 HydrophobicContact CD2-CE2 3.74Å; M244-F247 HydrophobicContact CB-CB 4.07Å; M244-F247 WeakPolarHBondContact O-CB 3.27Å; M244-F247 PolarHBondContact O-N 3.34Å; K245-F247 PolarHBondContact O-N 2.9Å; F247-T249 HydrophobicContact CE1-CG2 3.75Å; F247-T249 HydrophobicContact CZ-CG2 3.85Å; F247-I266 HydrophobicContact CD2-CG2 4.01Å; F247-I266 HydrophobicContact CE2-CG2 3.38Å; F247-I266 HydrophobicContact CZ-CG2 4.05Å; F247-M268 HydrophobicContact CD2-CG 4.21Å; F247-V271 HydrophobicContact CB-CG1 4.43Å; F247-V271 HydrophobicContact CB-CG2 4.1Å
248	S	98.3	Very high	98.2	Very high	55 Å²	55	55.7 Å²	55.7	39%	0.385	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	153	175.3	67.4	0	0	0	0	113.1	I267	S248-I267 PolarHBondContact N-O 3.4Å; S248-I267 PolarHBondContact O-N 2.99Å
249	T	98.4	Very high	98.2	Very high	24 Å²	24	57.8 Å²	57.8	15%	0.147	32%	0.316	C	S	.	.			trans	-135.4	67.8	-170.4	49.7	0	0	0	0	112.6	S218 P219 R242 F247 M265 I266	S218-T249 WeakPolarHBondContact O-CB 3.4Å; S218-T249 WeakPolarHBondContact O-CG2 3.09Å; S218-T249 PolarHBondContact O-OG1 3.22Å; P219-T249 WeakPolarHBondContact CA-O 3.24Å; R242-T249 PolarHBondContact NH2-OG1 2.7Å; F247-T249 HydrophobicContact CE1-CG2 3.75Å; F247-T249 HydrophobicContact CZ-CG2 3.85Å; T249-M265 WeakPolarHBondContact CA-O 3.36Å; T249-I266 HydrophobicContact CG2-CG1 4.22Å
250	P	98.3	Very high	98.2	Very high	58 Å²	58	57.8 Å²	57.8	38%	0.377	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-65.8	143.4	179.9	28	-33.7	0	0	0	111.7	G264 M265 I267	P250-G264 CarbonylContact O-C 3.6Å; P250-G264 WeakPolarHBondContact O-CA 3.23Å; P250-M265 HydrophobicContact CG-CB 4.07Å; P250-M265 PolarHBondContact O-N 3.23Å; P250-I267 HydrophobicContact CG-CD1 3.88Å
251	K	98.3	Very high	98.1	Very high	87 Å²	87	58 Å²	58	38%	0.378	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-71.3	145.6	174.6	177.3	173.3	168.9	-124.7	0	110.8	P219 E253	P219-K251 HydrophobicContact CB-CB 4.23Å; P219-K251 HydrophobicContact CG-CB 3.97Å; P219-K251 HydrophobicContact CG-CG 4.45Å; K251-E253 WeakPolarHBondContact CD-OE1 3.49Å; K251-E253 VanDerWaalsContact CE-OE1 3.29Å; K251-E253 WeakPolarHBondContact CE-OE1 3.27Å; K251-E253 WeakPolarHBondContact CG-OE1 3.35Å; K251-E253 IonicContact NZ-OE1 3.21Å; K251-E253 PolarHBondContact NZ-OE1 2.93Å; K251-E253 IonicContact NZ-OE2 2.67Å; K251-E253 PolarHBondContact NZ-OE2 3.35Å
252	I	98.4	Very high	98.1	Very high	26 Å²	26	55.4 Å²	55.4	13%	0.133	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-92.5	122.2	167.4	-68.5	164	0	0	0	108.1	W214 K255 T263 M265	W214-I252 HydrophobicContact CD2-CD1 4.15Å; W214-I252 HydrophobicContact CE3-CD1 4Å; W214-I252 HydrophobicContact CE3-CG2 4.46Å; W214-I252 HydrophobicContact CH2-CG2 3.88Å; W214-I252 HydrophobicContact CZ3-CD1 4.35Å; W214-I252 HydrophobicContact CZ3-CG2 3.75Å; I252-K255 HydrophobicContact CG2-CG 4.48Å; I252-T263 PolarHBondContact N-O 3.01Å; I252-M265 HydrophobicContact CD1-CG 4.26Å; I252-M265 HydrophobicContact CG1-CG 4.34Å
253	E	98.2	Very high	98.2	Very high	121 Å²	121	50.4 Å²	50.4	57%	0.565	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-93.6	168	178.1	-63	-58.2	153	0	0	112.3	K251 K255	K251-E253 WeakPolarHBondContact CD-OE1 3.49Å; K251-E253 VanDerWaalsContact CE-OE1 3.29Å; K251-E253 WeakPolarHBondContact CE-OE1 3.27Å; K251-E253 WeakPolarHBondContact CG-OE1 3.35Å; K251-E253 IonicContact NZ-OE1 3.21Å; K251-E253 PolarHBondContact NZ-OE1 2.93Å; K251-E253 IonicContact NZ-OE2 2.67Å; K251-E253 PolarHBondContact NZ-OE2 3.35Å; E253-K255 VanDerWaalsContact C-N 3.34Å; E253-K255 PolarHBondContact O-N 2.91Å
254	G	97.8	Very high	98.3	Very high	55 Å²	55	46.8 Å²	46.8	57%	0.567	25%	0.252	S	S	*	.			trans	75.3	19.3	173	0	0	0	0	0	114.5	F256	G254-F256 PolarHBondContact O-N 3Å
255	K	98.5	Very high	98.3	Very high	17 Å²	17	47.2 Å²	47.2	7%	0.074	25%	0.254	C	S	.	.			trans	-69.3	119.3	178.7	-75.9	172.6	50.9	-175.4	0	110.8	W214 I252 E253 S257 L258 R259 S261 T263	W214-K255 HydrophobicContact CZ3-CG 4.37Å; I252-K255 HydrophobicContact CG2-CG 4.48Å; E253-K255 VanDerWaalsContact C-N 3.34Å; E253-K255 PolarHBondContact O-N 2.91Å; K255-S257 VanDerWaalsContact C-N 3.31Å; K255-S257 WeakPolarHBondContact CE-O 3.25Å; K255-L258 WeakPolarHBondContact CE-O 3.43Å; K255-L258 PolarHBondContact NZ-O 3.14Å; K255-R259 WeakPolarHBondContact O-CD 3.22Å; K255-R259 WeakPolarHBondContact O-CG 3.46Å; K255-R259 PolarHBondContact O-NH1 3.5Å; K255-S261 PolarHBondContact NZ-O 3.29Å; K255-T263 PolarHBondContact NZ-OG1 2.85Å
256	F	98.5	Very high	98.3	Very high	152 Å²	152	37.9 Å²	37.9	67%	0.667	21%	0.213	S	C	*	.	S	Bend	trans	-86.3	1.9	166.1	-77.9	-77.1	0	0	0	113.9	G254 M408	G254-F256 PolarHBondContact O-N 3Å; F256-M408 HydrophobicContact CB-CE 3.98Å; F256-M408 HydrophobicContact CD1-CE 3.74Å; F256-M408 HydrophobicContact CG-CE 4.33Å; F256-M408 WeakPolarHBondContact O-CB 3.49Å; F256-M408 VanDerWaalsContact O-CE 3.27Å; F256-M408 WeakPolarHBondContact O-CE 3.41Å
257	S	98.6	Very high	98.4	Very high	22 Å²	22	39.4 Å²	39.4	15%	0.154	21%	0.214	C	C	.	.	S	Bend	trans	-137.1	146.8	-178.2	-170.2	0	0	0	0	111.6	K255 R259 M408 N409 A412	K255-S257 VanDerWaalsContact C-N 3.31Å; K255-S257 WeakPolarHBondContact CE-O 3.25Å; S257-R259 VanDerWaalsContact C-N 3.27Å; S257-R259 PolarHBondContact O-N 2.79Å; S257-M408 WeakPolarHBondContact CB-O 3.48Å; S257-M408 PolarHBondContact OG-O 2.9Å; S257-N409 WeakPolarHBondContact OG-CA 3.45Å; S257-N409 PolarHBondContact OG-O 3.41Å; S257-A412 WeakPolarHBondContact OG-CB 3.43Å
258	L	98.5	Very high	98.4	Very high	11 Å²	11	38.3 Å²	38.3	6%	0.058	21%	0.209	C	C	.	.	S	Bend	trans	54.5	40.8	-179.1	-49.3	175.2	0	0	0	112.3	S137 K255 A260 S261 N409 A412 V413 Y416	S137-L258 VanDerWaalsContact CB-CD2 3.47Å; K255-L258 WeakPolarHBondContact CE-O 3.43Å; K255-L258 PolarHBondContact NZ-O 3.14Å; L258-A260 VanDerWaalsContact C-N 3.33Å; L258-A260 PolarHBondContact O-N 3.08Å; L258-S261 WeakPolarHBondContact O-CB 3.45Å; L258-S261 PolarHBondContact O-N 2.77Å; L258-S261 VanDerWaalsContact O-N 3.09Å; L258-N409 VanDerWaalsContact CA-OD1 3.29Å; L258-N409 WeakPolarHBondContact CA-OD1 3.49Å; L258-N409 HydrophobicContact CD2-CB 4.04Å; L258-N409 PolarHBondContact N-OD1 2.94Å; L258-A412 HydrophobicContact CD1-CB 3.96Å; L258-A412 HydrophobicContact CG-CB 4.1Å; L258-V413 HydrophobicContact CD2-CG2 4.3Å; L258-Y416 HydrophobicContact CD1-CD1 4.18Å; L258-Y416 HydrophobicContact CD1-CE1 3.78Å
259	R	98.8	Very high	98.4	Very high	43 Å²	43	40.8 Å²	40.8	16%	0.162	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-34.5	-170.3	-70	172.6	63.9	75.5	3.4	113.1	N89 R90 E92 K255 S257 S261	N89-R259 WeakPolarHBondContact O-CB 3.36Å; N89-R259 WeakPolarHBondContact O-CD 3.48Å; N89-R259 PolarHBondContact O-NE 3.43Å; R90-R259 PolarHBondContact O-NH2 2.9Å; E92-R259 WeakPolarHBondContact CA-O 3.28Å; E92-R259 HydrophobicContact CG-CB 3.79Å; E92-R259 HydrophobicContact CG-CG 3.99Å; E92-R259 VanDerWaalsContact CG-CZ 3.5Å; E92-R259 IonicContact OE1-CZ 2.69Å; E92-R259 IonicContact OE1-NH1 2.88Å; E92-R259 PolarHBondContact OE1-NH1 3.4Å; E92-R259 IonicContact OE1-NH2 2.69Å; E92-R259 PolarHBondContact OE1-NH2 3.21Å; E92-R259 IonicContact OE2-NH1 3.23Å; K255-R259 WeakPolarHBondContact O-CD 3.22Å; K255-R259 WeakPolarHBondContact O-CG 3.46Å; K255-R259 PolarHBondContact O-NH1 3.5Å; S257-R259 VanDerWaalsContact C-N 3.27Å; S257-R259 PolarHBondContact O-N 2.79Å; R259-S261 PolarHBondContact O-N 3.38Å; R259-S261 VanDerWaalsContact O-N 3.12Å
260	A	98.4	Very high	98.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	7.7	175.4	0	0	0	0	0	114.6	I85 A88 Y139 L258	I85-A260 HydrophobicContact CD1-CB 3.43Å; I85-A260 VanDerWaalsContact CD1-CB 3.43Å; A88-A260 HydrophobicContact CB-CB 3.97Å; Y139-A260 HydrophobicContact CE1-CB 3.93Å; L258-A260 VanDerWaalsContact C-N 3.33Å; L258-A260 PolarHBondContact O-N 3.08Å
261	S	97.7	Very high	98.4	Very high	4 Å²	4	43.6 Å²	43.6	3%	0.028	22%	0.224	C	C	.	.	S	Bend	trans	-121.3	133.9	178.5	-179.8	0	0	0	0	110.8	K255 L258 R259	K255-S261 PolarHBondContact NZ-O 3.29Å; L258-S261 WeakPolarHBondContact O-CB 3.45Å; L258-S261 PolarHBondContact O-N 2.77Å; L258-S261 VanDerWaalsContact O-N 3.09Å; R259-S261 PolarHBondContact O-N 3.38Å; R259-S261 VanDerWaalsContact O-N 3.12Å
262	A	97.9	Very high	98.4	Very high	11 Å²	11	43.5 Å²	43.5	9%	0.091	23%	0.225	C	C	.	.			trans	-71.3	128.9	175	0	0	0	0	0	110.2	F94 T216 N217 V220	F94-A262 HydrophobicContact CB-CB 4.15Å; F94-A262 HydrophobicContact CD1-CB 4.15Å; F94-A262 HydrophobicContact CG-CB 4.26Å; T216-A262 CarbonylContact C-O 3.52Å; T216-A262 WeakPolarHBondContact CA-O 3.46Å; N217-A262 PolarHBondContact N-O 3.22Å; V220-A262 HydrophobicContact CG1-CB 4.49Å; V220-A262 HydrophobicContact CG2-CB 3.63Å
263	T	98.6	Very high	98.4	Very high	6 Å²	6	42.2 Å²	42.2	4%	0.037	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	140.9	176.8	-49	0	0	0	0	109	W214 I215 I252 K255	W214-T263 HydrophobicContact CE3-CG2 4.27Å; I215-T263 WeakPolarHBondContact O-CA 3.36Å; I252-T263 PolarHBondContact N-O 3.01Å; K255-T263 PolarHBondContact NZ-OG1 2.85Å
264	G	98.4	Very high	98.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	-159.1	-177.2	0	0	0	0	0	113.2	W214 I215 S218 P250	W214-G264 PolarHBondContact N-O 2.68Å; I215-G264 PolarHBondContact N-O 3.36Å; I215-G264 PolarHBondContact O-N 2.97Å; S218-G264 VanDerWaalsContact OG-C 3.28Å; S218-G264 WeakPolarHBondContact OG-CA 3.35Å; P250-G264 CarbonylContact O-C 3.6Å; P250-G264 WeakPolarHBondContact O-CA 3.23Å
265	M	98.6	Very high	98.4	Very high	49 Å²	49	38.6 Å²	38.6	24%	0.241	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	170.7	170.7	-59.9	-179.7	64.8	0	0	110.4	K212 S218 T249 P250 I252 I267	K212-M265 CarbonylContact O-C 3.47Å; K212-M265 WeakPolarHBondContact O-CA 3.49Å; K212-M265 VanDerWaalsContact O-CB 3.27Å; K212-M265 WeakPolarHBondContact O-CB 3.42Å; S218-M265 WeakPolarHBondContact CB-O 3.49Å; S218-M265 PolarHBondContact OG-O 2.92Å; T249-M265 WeakPolarHBondContact CA-O 3.36Å; P250-M265 HydrophobicContact CG-CB 4.07Å; P250-M265 PolarHBondContact O-N 3.23Å; I252-M265 HydrophobicContact CD1-CG 4.26Å; I252-M265 HydrophobicContact CG1-CG 4.34Å; M265-I267 HydrophobicContact CB-CG1 4.44Å; M265-I267 HydrophobicContact CE-CG1 4.49Å
266	I	98.8	Very high	98.4	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	120.4	156.7	-60.3	169.7	0	0	0	105.7	S211 K212 I215 A224 V226 F247 T249 M268	S211-I266 CarbonylContact C-O 3.58Å; S211-I266 WeakPolarHBondContact CA-O 3.24Å; K212-I266 HydrophobicContact CB-CB 4.11Å; K212-I266 HydrophobicContact CG-CB 4.41Å; K212-I266 PolarHBondContact N-O 3.47Å; K212-I266 PolarHBondContact O-N 3.37Å; I215-I266 HydrophobicContact CG1-CD1 4.42Å; I215-I266 HydrophobicContact CG1-CG1 4.38Å; I215-I266 HydrophobicContact CG2-CD1 3.99Å; I215-I266 HydrophobicContact CG2-CG1 4.37Å; A224-I266 HydrophobicContact CB-CD1 4.05Å; V226-I266 HydrophobicContact CG2-CD1 4.1Å; F247-I266 HydrophobicContact CD2-CG2 4.01Å; F247-I266 HydrophobicContact CE2-CG2 3.38Å; F247-I266 HydrophobicContact CZ-CG2 4.05Å; T249-I266 HydrophobicContact CG2-CG1 4.22Å; I266-M268 HydrophobicContact CG2-CE 4.28Å; I266-M268 HydrophobicContact CG2-CG 4.09Å; I266-M268 HydrophobicContact CG2-SD 4.24Å
267	I	98.6	Very high	98.3	Very high	61 Å²	61	37.1 Å²	37.1	31%	0.313	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	130.3	174.7	-58.3	172.5	0	0	0	107.1	S248 P250 M265	S248-I267 PolarHBondContact N-O 3.4Å; S248-I267 PolarHBondContact O-N 2.99Å; P250-I267 HydrophobicContact CG-CD1 3.88Å; M265-I267 HydrophobicContact CB-CG1 4.44Å; M265-I267 HydrophobicContact CE-CG1 4.49Å
268	M	98.7	Very high	98.3	Very high	2 Å²	2	37 Å²	37	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	109.1	178.6	-65.2	155.2	-67.8	0	0	108.1	T195 L208 N209 G210 K212 V226 L240 F247 I266 V271	T195-M268 HydrophobicContact CG2-CE 3.7Å; T195-M268 HydrophobicContact CG2-SD 4.49Å; L208-M268 HydrophobicContact CB-SD 4.4Å; L208-M268 HydrophobicContact CD2-SD 4.17Å; N209-M268 WeakPolarHBondContact CA-O 3.49Å; G210-M268 PolarHBondContact N-O 2.84Å; G210-M268 PolarHBondContact O-N 3.06Å; K212-M268 HydrophobicContact CG-CE 4.12Å; V226-M268 HydrophobicContact CG1-CE 4Å; V226-M268 HydrophobicContact CG1-SD 3.78Å; V226-M268 HydrophobicContact CG2-SD 4.38Å; L240-M268 HydrophobicContact CD2-CG 4.06Å; L240-M268 HydrophobicContact CD2-SD 3.95Å; F247-M268 HydrophobicContact CD2-CG 4.21Å; I266-M268 HydrophobicContact CG2-CE 4.28Å; I266-M268 HydrophobicContact CG2-CG 4.09Å; I266-M268 HydrophobicContact CG2-SD 4.24Å; M268-V271 HydrophobicContact CB-CB 4.4Å; M268-V271 HydrophobicContact CB-CG2 3.67Å; M268-V271 HydrophobicContact CG-CG2 4Å
269	D	98.5	Very high	98.3	Very high	108 Å²	108	36.5 Å²	36.5	58%	0.578	18%	0.181	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-110.6	99.5	174	-171.2	31.8	0	0	0	109.3	N209 G246 V271	N209-D269 PolarHBondContact ND2-OD1 3.11Å; G246-D269 VanDerWaalsContact CA-O 3.29Å; G246-D269 WeakPolarHBondContact CA-O 3.3Å; G246-D269 PolarHBondContact O-N 2.94Å; D269-V271 VanDerWaalsContact C-N 3.34Å; D269-V271 PolarHBondContact O-N 3.04Å
270	E	98.2	Very high	98.2	Very high	140 Å²	140	38 Å²	38	65%	0.654	20%	0.197	S	C	*	.	E	Extended strand (participates in β ladder)	trans	48.2	49.6	-176.2	-57.3	-164.2	145.8	0	0	113.9	T207 L208 N209 E272	T207-E270 HydrophobicContact CG2-CB 3.98Å; T207-E270 HydrophobicContact CG2-CG 4.4Å; L208-E270 PolarHBondContact O-N 3.32Å; N209-E270 PolarHBondContact ND2-N 2.87Å; E270-E272 PolarHBondContact O-N 3.23Å
271	V	98.7	Very high	98	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	110.7	-179.4	-176.1	0	0	0	0	110	L208 L240 M244 G246 F247 M268 D269 V273	L208-V271 HydrophobicContact CB-CB 4.37Å; L208-V271 PolarHBondContact N-O 3.29Å; L208-V271 PolarHBondContact O-N 3.47Å; L240-V271 HydrophobicContact CD2-CG1 4.09Å; M244-V271 HydrophobicContact CB-CG1 4.12Å; M244-V271 HydrophobicContact SD-CG1 4.33Å; G246-V271 VanDerWaalsContact C-CG2 3.42Å; F247-V271 HydrophobicContact CB-CG1 4.43Å; F247-V271 HydrophobicContact CB-CG2 4.1Å; M268-V271 HydrophobicContact CB-CB 4.4Å; M268-V271 HydrophobicContact CB-CG2 3.67Å; M268-V271 HydrophobicContact CG-CG2 4Å; D269-V271 VanDerWaalsContact C-N 3.34Å; D269-V271 PolarHBondContact O-N 3.04Å; V271-V273 HydrophobicContact CG1-CG2 4.06Å; V271-V273 PolarHBondContact O-N 3.47Å
272	E	98.5	Very high	97.7	Very high	85 Å²	85	44.3 Å²	44.3	40%	0.397	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	114.3	172.9	-71.1	-63.9	123.8	0	0	111.2	T205 T207 E270	T205-E272 WeakPolarHBondContact CB-OE2 3.4Å; T205-E272 PolarHBondContact OG1-OE2 2.97Å; T207-E272 VanDerWaalsContact CB-OE1 3.26Å; T207-E272 WeakPolarHBondContact CB-OE1 3.27Å; T207-E272 WeakPolarHBondContact CG2-OE1 3.4Å; T207-E272 PolarHBondContact OG1-OE1 2.95Å; E270-E272 PolarHBondContact O-N 3.23Å
273	V	98.4	Very high	97.2	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	123.1	178.2	-177	0	0	0	0	109.7	T205 Y206 L208 F238 L240 V271 N277	T205-V273 CarbonylContact C-O 3.56Å; T205-V273 WeakPolarHBondContact CA-O 3.28Å; Y206-V273 PolarHBondContact N-O 3.41Å; Y206-V273 PolarHBondContact O-N 3.42Å; L208-V273 HydrophobicContact CD1-CB 4.29Å; L208-V273 HydrophobicContact CD1-CG2 4Å; L208-V273 HydrophobicContact CD2-CG2 4.22Å; F238-V273 HydrophobicContact CD1-CG1 4.41Å; L240-V273 HydrophobicContact CD1-CG2 4.09Å; L240-V273 HydrophobicContact CD2-CG2 4.31Å; L240-V273 HydrophobicContact CG-CG2 3.85Å; V271-V273 HydrophobicContact CG1-CG2 4.06Å; V271-V273 PolarHBondContact O-N 3.47Å; V273-N277 HydrophobicContact CG1-CB 3.73Å
274	P	97.9	Very high	96.9	Very high	39 Å²	39	47.7 Å²	47.7	25%	0.253	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	150.6	177.3	-24.9	35.1	0	0	0	113.9	E276 N277	P274-E276 HydrophobicContact CB-CG 4.3Å; P274-E276 VanDerWaalsContact CB-OE1 3.28Å; P274-E276 WeakPolarHBondContact CB-OE1 3.47Å; P274-E276 WeakPolarHBondContact CB-OE2 3.43Å; P274-E276 PolarHBondContact O-N 3.38Å; P274-N277 PolarHBondContact O-N 2.72Å
275	E	97.6	Very high	96.7	Very high	60 Å²	60	49.7 Å²	49.7	28%	0.28	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-56.9	-34.2	178	-177.8	174.4	-141.2	0	0	112.4	R204 N277 L278	R204-E275 HydrophobicContact CB-CB 4.43Å; R204-E275 IonicContact CZ-OE2 3.18Å; R204-E275 IonicContact NE-OE2 2.84Å; R204-E275 PolarHBondContact NE-OE2 3.46Å; R204-E275 IonicContact NH2-OE2 2.68Å; R204-E275 PolarHBondContact NH2-OE2 2.98Å; R204-E275 VanDerWaalsContact O-CB 3.29Å; R204-E275 WeakPolarHBondContact O-CB 3.43Å; R204-E275 PolarHBondContact O-N 3.41Å; E275-N277 PolarHBondContact O-N 3.29Å; E275-L278 WeakPolarHBondContact O-CB 3.48Å; E275-L278 PolarHBondContact O-N 3.48Å; E275-L278 VanDerWaalsContact O-N 3.14Å
276	E	97.7	Very high	96.4	Very high	130 Å²	130	49.9 Å²	49.9	61%	0.607	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-70.1	-4.9	175.8	71.6	-84.9	-164.7	0	0	114.9	Q162 P274	Q162-E276 PolarHBondContact NE2-O 3.34Å; P274-E276 HydrophobicContact CB-CG 4.3Å; P274-E276 VanDerWaalsContact CB-OE1 3.28Å; P274-E276 WeakPolarHBondContact CB-OE1 3.47Å; P274-E276 WeakPolarHBondContact CB-OE2 3.43Å; P274-E276 PolarHBondContact O-N 3.38Å
277	N	98.3	Very high	96.2	Very high	9 Å²	9	50 Å²	50	5%	0.048	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-101.9	0.2	171.9	-93.2	14.6	0	0	0	113.4	Y166 I239 V273 P274 E275	Y166-N277 PolarHBondContact OH-ND2 2.86Å; Y166-N277 PolarHBondContact OH-OD1 3.41Å; I239-N277 HydrophobicContact CB-CB 4.41Å; I239-N277 PolarHBondContact N-O 3.32Å; I239-N277 WeakPolarHBondContact O-CB 3.45Å; I239-N277 PolarHBondContact O-ND2 3.36Å; V273-N277 HydrophobicContact CG1-CB 3.73Å; P274-N277 PolarHBondContact O-N 2.72Å; E275-N277 PolarHBondContact O-N 3.29Å
278	L	98.1	Very high	96	Very high	20 Å²	20	47.1 Å²	47.1	11%	0.105	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-71.4	140.7	166.4	169.3	64.6	0	0	0	110.5	Q162 Y206 R236 F238 E275 P280	Q162-L278 PolarHBondContact NE2-O 3.49Å; Y206-L278 HydrophobicContact CE2-CD2 4.2Å; R236-L278 HydrophobicContact CB-CD1 3.76Å; R236-L278 HydrophobicContact CG-CD1 4.18Å; F238-L278 HydrophobicContact CD1-CB 4.3Å; F238-L278 HydrophobicContact CD1-CD1 4.09Å; F238-L278 HydrophobicContact CE1-CB 4.27Å; F238-L278 HydrophobicContact CE1-CD1 3.68Å; F238-L278 HydrophobicContact CE1-CG 4.5Å; F238-L278 HydrophobicContact CZ-CD1 3.93Å; E275-L278 WeakPolarHBondContact O-CB 3.48Å; E275-L278 PolarHBondContact O-N 3.48Å; E275-L278 VanDerWaalsContact O-N 3.14Å; L278-P280 WeakPolarHBondContact O-CD 3.39Å
279	L	98.3	Very high	95.8	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.282	C	S	.	.			trans	-84.5	96.4	168.8	-64.8	176.3	0	0	0	109.9	P153 V225 W227 G237 I239 K281 A282	P153-L279 HydrophobicContact CB-CD1 4.11Å; V225-L279 HydrophobicContact CG1-CD1 4.07Å; W227-L279 HydrophobicContact CH2-CD1 4.46Å; G237-L279 WeakPolarHBondContact O-CB 3.45Å; G237-L279 PolarHBondContact O-N 3.38Å; I239-L279 HydrophobicContact CD1-CD2 3.95Å; I239-L279 HydrophobicContact CG1-CD2 4.17Å; I239-L279 HydrophobicContact CG1-CG 4.45Å; L279-K281 VanDerWaalsContact C-N 3.32Å; L279-K281 PolarHBondContact O-N 2.91Å; L279-A282 PolarHBondContact O-N 3.22Å
280	P	96.3	Very high	95.6	Very high	75 Å²	75	46.5 Å²	46.5	49%	0.487	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-20.3	-162.2	30.4	-37.5	0	0	0	114.4	Y157 T159 L278	Y157-P280 WeakPolarHBondContact O-CD 3.28Å; T159-P280 HydrophobicContact CG2-CG 3.77Å; L278-P280 WeakPolarHBondContact O-CD 3.39Å
281	K	95.1	Very high	95.5	Very high	132 Å²	132	39.9 Å²	39.9	57%	0.574	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.2	5.1	-177.4	-54.1	156.1	-175	163.3	0	112.8	Y157 G158 L279	Y157-K281 WeakPolarHBondContact O-CB 3.46Å; Y157-K281 PolarHBondContact O-N 3.02Å; Y157-K281 VanDerWaalsContact O-N 3.12Å; G158-K281 WeakPolarHBondContact O-CE 3.3Å; G158-K281 PolarHBondContact O-NZ 2.95Å; L279-K281 VanDerWaalsContact C-N 3.32Å; L279-K281 PolarHBondContact O-N 2.91Å
282	A	91.1	Very high	95.4	Very high	4 Å²	4	40.6 Å²	40.6	3%	0.033	24%	0.236	C	C	.	.			trans	-108.6	122.6	174.8	0	0	0	0	0	111.4	Y157 W227 L279	Y157-A282 HydrophobicContact CD1-CB 4.22Å; Y157-A282 HydrophobicContact CD2-CB 4.07Å; Y157-A282 HydrophobicContact CG-CB 3.77Å; W227-A282 HydrophobicContact CH2-CB 3.9Å; W227-A282 HydrophobicContact CZ3-CB 3.8Å; L279-A282 PolarHBondContact O-N 3.22Å
283	A	86.8	Confident	95.3	Very high	66 Å²	66	37.7 Å²	37.7	55%	0.545	22%	0.223	S	C	.	.			trans	-138.2	134.4	174.5	0	0	0	0	0	111.1
284	G	93.4	Very high	95.2	Very high	21 Å²	21	38.8 Å²	38.8	22%	0.216	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	-169.1	-175.5	0	0	0	0	0	113.2	V235 G286	V235-G284 PolarHBondContact O-N 2.97Å; G284-G286 PolarHBondContact O-N 3.35Å
285	L	92.9	Very high	95.2	Very high	42 Å²	42	37 Å²	37	22%	0.22	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-10.4	-175.5	-64.6	174.7	0	0	0	114.4	P190 M193 V235 G287 P288 F289	P190-L285 HydrophobicContact CB-CD2 4.33Å; P190-L285 HydrophobicContact CG-CD2 4.34Å; M193-L285 HydrophobicContact CE-CD2 4.28Å; V235-L285 HydrophobicContact CG2-CD2 4.16Å; L285-G287 VanDerWaalsContact C-N 3.28Å; L285-G287 PolarHBondContact O-N 2.9Å; L285-P288 HydrophobicContact CD2-CG 4.34Å; L285-P288 VanDerWaalsContact O-CD 3.27Å; L285-P288 WeakPolarHBondContact O-CD 3.43Å; L285-P288 WeakPolarHBondContact O-CG 3.4Å; L285-F289 HydrophobicContact CB-CD2 4.07Å; L285-F289 HydrophobicContact CB-CE1 4.35Å; L285-F289 HydrophobicContact CB-CE2 3.8Å; L285-F289 HydrophobicContact CB-CG 4.46Å; L285-F289 HydrophobicContact CB-CZ 3.97Å; L285-F289 HydrophobicContact CD1-CE2 4.22Å; L285-F289 HydrophobicContact CD1-CZ 3.95Å; L285-F289 HydrophobicContact CG-CZ 4.41Å; L285-F289 VanDerWaalsContact O-CB 3.23Å; L285-F289 WeakPolarHBondContact O-CB 3.5Å; L285-F289 WeakPolarHBondContact O-CG 3.47Å; L285-F289 PolarHBondContact O-N 3.47Å
286	G	92.9	Very high	95.2	Very high	53 Å²	53	35.1 Å²	35.1	55%	0.546	21%	0.208	S	C	.	.	H	α-helix	trans	-59.7	-36.4	176.8	0	0	0	0	0	113.4	G284 G290	G284-G286 PolarHBondContact O-N 3.35Å; G286-G290 PolarHBondContact O-N 3.01Å
287	G	94.4	Very high	95.3	Very high	3 Å²	3	29 Å²	29	3%	0.031	18%	0.179	C	C	.	.	H	α-helix	trans	-59.2	-64.4	174.6	0	0	0	0	0	113.3	Y157 L285 F289 G290 C291	Y157-G287 WeakPolarHBondContact CE2-O 3.3Å; Y157-G287 PolarHBondContact OH-O 3.13Å; L285-G287 VanDerWaalsContact C-N 3.28Å; L285-G287 PolarHBondContact O-N 2.9Å; G287-F289 VanDerWaalsContact C-N 3.3Å; G287-F289 PolarHBondContact O-N 3Å; G287-G290 PolarHBondContact O-N 2.92Å; G287-C291 PolarHBondContact O-N 2.78Å; G287-C291 PolarHBondContact O-SG 3.01Å
288	P	95.1	Very high	95.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-62.7	-35.9	179.6	21.5	-30.2	0	0	0	112.3	F179 L181 W227 L285 G290 C291 L292	F179-P288 HydrophobicContact CZ-CB 4.16Å; L181-P288 HydrophobicContact CD1-CB 3.95Å; L181-P288 HydrophobicContact CD1-CG 4.25Å; L181-P288 HydrophobicContact CD2-CB 3.97Å; W227-P288 HydrophobicContact CD2-CB 3.91Å; W227-P288 HydrophobicContact CD2-CG 4.04Å; W227-P288 HydrophobicContact CE3-CB 4.48Å; W227-P288 HydrophobicContact CE3-CG 4.17Å; W227-P288 HydrophobicContact CG-CB 4.15Å; W227-P288 HydrophobicContact CG-CG 4.4Å; W227-P288 HydrophobicContact CZ2-CB 4.22Å; L285-P288 HydrophobicContact CD2-CG 4.34Å; L285-P288 VanDerWaalsContact O-CD 3.27Å; L285-P288 WeakPolarHBondContact O-CD 3.43Å; L285-P288 WeakPolarHBondContact O-CG 3.4Å; P288-G290 VanDerWaalsContact C-N 3.33Å; P288-G290 PolarHBondContact O-N 3.16Å; P288-C291 WeakPolarHBondContact O-CB 3.48Å; P288-C291 PolarHBondContact O-N 3.47Å; P288-L292 WeakPolarHBondContact O-CG 3.34Å; P288-L292 PolarHBondContact O-N 2.97Å
289	F	94.3	Very high	95.3	Very high	81 Å²	81	27.6 Å²	27.6	36%	0.355	17%	0.172	S	C	.	.	H	α-helix	trans	-66.8	-32.7	178.1	-68.5	-5.6	0	0	0	112.9	P190 L285 G287 L292 N293	P190-F289 HydrophobicContact CG-CE1 3.7Å; P190-F289 HydrophobicContact CG-CZ 3.96Å; L285-F289 HydrophobicContact CB-CD2 4.07Å; L285-F289 HydrophobicContact CB-CE1 4.35Å; L285-F289 HydrophobicContact CB-CE2 3.8Å; L285-F289 HydrophobicContact CB-CG 4.46Å; L285-F289 HydrophobicContact CB-CZ 3.97Å; L285-F289 HydrophobicContact CD1-CE2 4.22Å; L285-F289 HydrophobicContact CD1-CZ 3.95Å; L285-F289 HydrophobicContact CG-CZ 4.41Å; L285-F289 VanDerWaalsContact O-CB 3.23Å; L285-F289 WeakPolarHBondContact O-CB 3.5Å; L285-F289 WeakPolarHBondContact O-CG 3.47Å; L285-F289 PolarHBondContact O-N 3.47Å; G287-F289 VanDerWaalsContact C-N 3.3Å; G287-F289 PolarHBondContact O-N 3Å; F289-L292 HydrophobicContact CD1-CD1 4Å; F289-L292 HydrophobicContact CE1-CD1 4.47Å; F289-L292 PolarHBondContact O-N 3.16Å; F289-N293 WeakPolarHBondContact O-CB 3.46Å; F289-N293 PolarHBondContact O-N 2.86Å; F289-N293 PolarHBondContact O-ND2 3.47Å
290	G	93.5	Very high	95.3	Very high	17 Å²	17	27.7 Å²	27.7	18%	0.175	17%	0.172	C	C	.	.	H	α-helix	trans	-59.1	-47.4	169.2	0	0	0	0	0	112.1	G286 G287 P288 N293 N294	G286-G290 PolarHBondContact O-N 3.01Å; G287-G290 PolarHBondContact O-N 2.92Å; P288-G290 VanDerWaalsContact C-N 3.33Å; P288-G290 PolarHBondContact O-N 3.16Å; G290-N293 PolarHBondContact O-N 3.38Å; G290-N294 PolarHBondContact O-N 2.92Å; G290-N294 PolarHBondContact O-ND2 3.21Å
291	C	96.8	Very high	95.5	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60.9	-50.2	176	-48.1	0	0	0	0	112	L149 P153 F179 G287 P288 N293 N294 A295	L149-C291 HydrophobicContact CD2-CB 3.77Å; P153-C291 VanDerWaalsContact CB-SG 3.59Å; F179-C291 HydrophobicContact CE2-CB 3.9Å; F179-C291 HydrophobicContact CZ-CB 4.01Å; G287-C291 PolarHBondContact O-N 2.78Å; G287-C291 PolarHBondContact O-SG 3.01Å; P288-C291 WeakPolarHBondContact O-CB 3.48Å; P288-C291 PolarHBondContact O-N 3.47Å; C291-N293 VanDerWaalsContact C-N 3.28Å; C291-N293 PolarHBondContact O-N 2.84Å; C291-N294 WeakPolarHBondContact O-CB 3.23Å; C291-N294 PolarHBondContact O-N 2.94Å; C291-N294 VanDerWaalsContact O-N 3.11Å; C291-A295 PolarHBondContact O-N 2.9Å; C291-A295 VanDerWaalsContact O-N 3.13Å
292	L	96.5	Very high	95.6	Very high	15 Å²	15	17.8 Å²	17.8	8%	0.079	12%	0.122	C	C	.	.	H	α-helix	trans	-57.8	-40.4	179.2	-66.4	177.1	0	0	0	111.7	L149 F179 L181 P288 F289 N294 A295 R296 E417	L149-L292 HydrophobicContact CD2-CD2 4.29Å; F179-L292 HydrophobicContact CE1-CD2 4.09Å; L181-L292 HydrophobicContact CD2-CD1 3.95Å; L181-L292 HydrophobicContact CD2-CG 4.47Å; P288-L292 WeakPolarHBondContact O-CG 3.34Å; P288-L292 PolarHBondContact O-N 2.97Å; F289-L292 HydrophobicContact CD1-CD1 4Å; F289-L292 HydrophobicContact CE1-CD1 4.47Å; F289-L292 PolarHBondContact O-N 3.16Å; L292-N294 VanDerWaalsContact C-N 3.3Å; L292-N294 PolarHBondContact O-N 3.39Å; L292-A295 PolarHBondContact O-N 3.12Å; L292-R296 VanDerWaalsContact O-CB 3.3Å; L292-R296 WeakPolarHBondContact O-CB 3.29Å; L292-R296 WeakPolarHBondContact O-CD 3.16Å; L292-R296 WeakPolarHBondContact O-CG 3.33Å; L292-R296 PolarHBondContact O-N 3.42Å; L292-E417 HydrophobicContact CD2-CG 3.93Å
293	N	96.9	Very high	96	Very high	25 Å²	25	17.6 Å²	17.6	13%	0.134	12%	0.12	C	C	.	.	H	α-helix	trans	-63.8	-34.3	179.1	-72.6	-12.1	0	0	0	112.8	F289 G290 C291 R296 Y297 I370	F289-N293 WeakPolarHBondContact O-CB 3.46Å; F289-N293 PolarHBondContact O-N 2.86Å; F289-N293 PolarHBondContact O-ND2 3.47Å; G290-N293 PolarHBondContact O-N 3.38Å; C291-N293 VanDerWaalsContact C-N 3.28Å; C291-N293 PolarHBondContact O-N 2.84Å; N293-R296 PolarHBondContact OD1-NH1 2.89Å; N293-Y297 PolarHBondContact O-N 2.89Å; N293-I370 HydrophobicContact CB-CD1 3.9Å
294	N	94.9	Very high	96.6	Very high	23 Å²	23	14.5 Å²	14.5	12%	0.123	9%	0.094	C	C	.	.	H	α-helix	trans	-69.1	-40.3	173.8	-76.6	-97.3	0	0	0	112.1	Y122 H152 G290 C291 L292 G298	Y122-N294 WeakPolarHBondContact CE1-OD1 3.23Å; Y122-N294 PolarHBondContact OH-OD1 3.34Å; H152-N294 PolarHBondContact CE1-ND2 3.23Å; H152-N294 VanDerWaalsContact CE1-ND2 3.28Å; H152-N294 PolarHBondContact NE2-ND2 3.19Å; G290-N294 PolarHBondContact O-N 2.92Å; G290-N294 PolarHBondContact O-ND2 3.21Å; C291-N294 WeakPolarHBondContact O-CB 3.23Å; C291-N294 PolarHBondContact O-N 2.94Å; C291-N294 VanDerWaalsContact O-N 3.11Å; L292-N294 VanDerWaalsContact C-N 3.3Å; L292-N294 PolarHBondContact O-N 3.39Å; N294-G298 PolarHBondContact O-N 3.01Å
295	A	97.8	Very high	96.9	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-70.2	-44.8	178.5	0	0	0	0	0	112.1	L149 C291 L292 Y297 G298 I299 E417	L149-A295 HydrophobicContact CD1-CB 4.38Å; L149-A295 HydrophobicContact CD2-CB 3.75Å; L149-A295 HydrophobicContact CG-CB 4Å; C291-A295 PolarHBondContact O-N 2.9Å; C291-A295 VanDerWaalsContact O-N 3.13Å; L292-A295 PolarHBondContact O-N 3.12Å; A295-Y297 VanDerWaalsContact C-N 3.28Å; A295-Y297 PolarHBondContact O-N 3.22Å; A295-G298 PolarHBondContact O-N 3.08Å; A295-I299 WeakPolarHBondContact O-CG1 3.37Å; A295-I299 PolarHBondContact O-N 3.48Å; A295-E417 WeakPolarHBondContact CB-OE2 3.4Å
296	R	98.7	Very high	97.1	Very high	22 Å²	22	11.5 Å²	11.5	8%	0.083	7%	0.074	C	C	.	.	H	α-helix	trans	-54.1	-39.6	173.9	-72.7	164.3	173.8	159.5	-1.4	113.3	L292 N293 I299 A300 I370 K374 E417	L292-R296 VanDerWaalsContact O-CB 3.3Å; L292-R296 WeakPolarHBondContact O-CB 3.29Å; L292-R296 WeakPolarHBondContact O-CD 3.16Å; L292-R296 WeakPolarHBondContact O-CG 3.33Å; L292-R296 PolarHBondContact O-N 3.42Å; N293-R296 PolarHBondContact OD1-NH1 2.89Å; R296-I299 PolarHBondContact O-N 2.92Å; R296-A300 PolarHBondContact O-N 2.93Å; R296-I370 HydrophobicContact CB-CG2 3.55Å; R296-K374 HydrophobicContact CB-CB 4.28Å; R296-K374 HydrophobicContact CB-CG 4.05Å; R296-K374 HydrophobicContact CG-CG 4.13Å; R296-E417 HydrophobicContact CG-CB 4.29Å; R296-E417 VanDerWaalsContact CZ-O 3.22Å; R296-E417 PolarHBondContact N-OE2 3.24Å; R296-E417 VanDerWaalsContact N-OE2 3.13Å; R296-E417 PolarHBondContact NE-O 3.01Å; R296-E417 PolarHBondContact NH2-O 3.41Å
297	Y	98.7	Very high	97.4	Very high	1 Å²	1	9 Å²	9	0%	0.004	5%	0.047	C	C	.	.	H	α-helix	trans	-62.7	-46.7	175.2	168.3	-97.4	0	0	0	111.8	Y122 Y125 N293 A295 I299 A300 W301 L356 G357 I360	Y122-Y297 VanDerWaalsContact C-OH 3.23Å; Y122-Y297 HydrophobicContact CD1-CD1 4.08Å; Y122-Y297 HydrophobicContact CD1-CE1 4.04Å; Y122-Y297 WeakPolarHBondContact O-CE1 3.34Å; Y122-Y297 PolarHBondContact O-OH 2.96Å; Y125-Y297 AromaticContact CD1-CD1 3.9Å; Y125-Y297 HydrophobicContact CD1-CD1 3.9Å; Y125-Y297 AromaticContact CD1-CE1 4Å; Y125-Y297 HydrophobicContact CD1-CE1 4Å; Y125-Y297 HydrophobicContact CE1-CD1 4.05Å; N293-Y297 PolarHBondContact O-N 2.89Å; A295-Y297 VanDerWaalsContact C-N 3.28Å; A295-Y297 PolarHBondContact O-N 3.22Å; Y297-I299 VanDerWaalsContact C-N 3.28Å; Y297-I299 PolarHBondContact O-N 3.24Å; Y297-A300 PolarHBondContact O-N 3.4Å; Y297-W301 AromaticContact CE2-CD1 3.81Å; Y297-W301 AromaticContact CE2-NE1 3.57Å; Y297-W301 AromaticContact CZ-CD1 3.61Å; Y297-W301 AromaticContact CZ-NE1 3.3Å; Y297-W301 VanDerWaalsContact CZ-NE1 3.3Å; Y297-W301 PolarHBondContact O-N 3.44Å; Y297-W301 PolarHBondContact OH-NE1 3.44Å; Y297-L356 HydrophobicContact CD2-CD2 3.87Å; Y297-L356 HydrophobicContact CD2-CG 3.96Å; Y297-L356 HydrophobicContact CE2-CB 4.46Å; Y297-L356 HydrophobicContact CE2-CD2 4.41Å; Y297-L356 HydrophobicContact CE2-CG 4.13Å; Y297-G357 VanDerWaalsContact OH-CA 3.23Å; Y297-G357 WeakPolarHBondContact OH-CA 3.32Å; Y297-I360 HydrophobicContact CD1-CD1 4.29Å; Y297-I360 HydrophobicContact CD2-CD1 3.37Å; Y297-I360 HydrophobicContact CE2-CD1 3.7Å; Y297-I360 HydrophobicContact CG-CD1 3.7Å
298	G	98.5	Very high	97.6	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-61.8	-35	174.7	0	0	0	0	0	112.9	A129 N294 A295 W301 G302	A129-G298 VanDerWaalsContact CB-O 3.3Å; A129-G298 WeakPolarHBondContact CB-O 3.46Å; N294-G298 PolarHBondContact O-N 3.01Å; A295-G298 PolarHBondContact O-N 3.08Å; G298-W301 PolarHBondContact O-N 3.44Å; G298-G302 PolarHBondContact O-N 2.85Å
299	I	98.9	Very high	97.8	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-69.2	-36.6	175.4	-68.8	166.7	0	0	0	112.4	A295 R296 Y297 W301 G302 S303 K374 C378 V413 Y416 E417	A295-I299 WeakPolarHBondContact O-CG1 3.37Å; A295-I299 PolarHBondContact O-N 3.48Å; R296-I299 PolarHBondContact O-N 2.92Å; Y297-I299 VanDerWaalsContact C-N 3.28Å; Y297-I299 PolarHBondContact O-N 3.24Å; I299-W301 VanDerWaalsContact C-N 3.25Å; I299-W301 PolarHBondContact O-N 3.02Å; I299-G302 PolarHBondContact O-N 3.26Å; I299-S303 WeakPolarHBondContact O-CB 3.49Å; I299-S303 PolarHBondContact O-N 3.28Å; I299-S303 PolarHBondContact O-OG 2.95Å; I299-K374 HydrophobicContact CG2-CG 4.35Å; I299-C378 VanDerWaalsContact CG2-SG 3.57Å; I299-V413 HydrophobicContact CG2-CG1 3.53Å; I299-Y416 HydrophobicContact CD1-CE2 3.56Å; I299-E417 HydrophobicContact CD1-CB 4.49Å; I299-E417 VanDerWaalsContact CD1-CD 3.44Å; I299-E417 WeakPolarHBondContact CD1-OE1 3.37Å; I299-E417 VanDerWaalsContact CD1-OE2 3.25Å; I299-E417 WeakPolarHBondContact CD1-OE2 3.14Å
300	A	98.8	Very high	98	Very high	1 Å²	1	7 Å²	7	1%	0.008	4%	0.038	C	C	.	.	H	α-helix	trans	-62.1	-33.9	177.6	0	0	0	0	0	112.2	R296 Y297 L304 C353 L373 S377	R296-A300 PolarHBondContact O-N 2.93Å; Y297-A300 PolarHBondContact O-N 3.4Å; A300-L304 WeakPolarHBondContact O-CD1 3.49Å; A300-L304 WeakPolarHBondContact O-CG 3.17Å; A300-C353 PolarHBondContact O-SG 3.1Å; A300-L373 HydrophobicContact CB-CB 4.09Å; A300-S377 WeakPolarHBondContact O-CB 3.47Å; A300-S377 PolarHBondContact O-OG 2.96Å
301	W	98.9	Very high	98.3	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-77.5	-48.5	168.9	-82.5	96.7	0	0	0	113.1	V123 G126 L127 R130 Y297 G298 I299 S303 L304 G305 L350 C353 L354	V123-W301 HydrophobicContact CG1-CZ2 4.36Å; G126-W301 VanDerWaalsContact O-CB 3.27Å; G126-W301 WeakPolarHBondContact O-CB 3.1Å; L127-W301 HydrophobicContact CD2-CH2 4.06Å; L127-W301 HydrophobicContact CD2-CZ3 3.75Å; L127-W301 HydrophobicContact CG-CH2 4.43Å; L127-W301 HydrophobicContact CG-CZ3 4.41Å; R130-W301 HydrophobicContact CB-CE3 4.41Å; Y297-W301 AromaticContact CE2-CD1 3.81Å; Y297-W301 AromaticContact CE2-NE1 3.57Å; Y297-W301 AromaticContact CZ-CD1 3.61Å; Y297-W301 AromaticContact CZ-NE1 3.3Å; Y297-W301 VanDerWaalsContact CZ-NE1 3.3Å; Y297-W301 PolarHBondContact O-N 3.44Å; Y297-W301 PolarHBondContact OH-NE1 3.44Å; G298-W301 PolarHBondContact O-N 3.44Å; I299-W301 VanDerWaalsContact C-N 3.25Å; I299-W301 PolarHBondContact O-N 3.02Å; W301-S303 PolarHBondContact O-N 3.13Å; W301-L304 WeakPolarHBondContact O-CB 3.42Å; W301-L304 PolarHBondContact O-N 3.07Å; W301-L304 VanDerWaalsContact O-N 3.16Å; W301-G305 PolarHBondContact O-N 3.25Å; W301-L350 HydrophobicContact CE3-CD2 4.23Å; W301-L350 HydrophobicContact CZ3-CD2 4.09Å; W301-C353 HydrophobicContact CD2-CB 3.81Å; W301-C353 HydrophobicContact CE3-CB 4.46Å; W301-C353 HydrophobicContact CG-CB 4.01Å; W301-C353 HydrophobicContact CZ2-CB 4.19Å; W301-C353 PolarHBondContact NE1-O 3.48Å; W301-L354 HydrophobicContact CH2-CB 4.34Å; W301-L354 HydrophobicContact CZ2-CB 4.29Å
302	G	98.9	Very high	98.4	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-57.6	-47.7	-174.4	0	0	0	0	0	113	A129 E133 G298 I299 L304 G305 A306	A129-G302 WeakPolarHBondContact O-CA 3.32Å; E133-G302 VanDerWaalsContact CB-O 3.28Å; E133-G302 WeakPolarHBondContact CB-O 3.24Å; E133-G302 WeakPolarHBondContact CG-O 3.47Å; E133-G302 WeakPolarHBondContact OE2-CA 3.29Å; G298-G302 PolarHBondContact O-N 2.85Å; I299-G302 PolarHBondContact O-N 3.26Å; G302-L304 PolarHBondContact O-N 2.86Å; G302-L304 VanDerWaalsContact O-N 3.15Å; G302-G305 WeakPolarHBondContact O-CA 3.38Å; G302-G305 PolarHBondContact O-N 3.28Å; G302-A306 PolarHBondContact O-N 2.82Å
303	S	98.9	Very high	98.5	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-58.1	-31.1	179.9	49.5	0	0	0	0	113	E133 I299 W301 A306 A307 S377 A381	E133-S303 PolarHBondContact OE2-N 3.41Å; E133-S303 VanDerWaalsContact OE2-N 3.08Å; I299-S303 WeakPolarHBondContact O-CB 3.49Å; I299-S303 PolarHBondContact O-N 3.28Å; I299-S303 PolarHBondContact O-OG 2.95Å; W301-S303 PolarHBondContact O-N 3.13Å; S303-A306 PolarHBondContact O-N 2.72Å; S303-A307 PolarHBondContact O-N 3.07Å; S303-S377 VanDerWaalsContact OG-CB 3.24Å; S303-S377 WeakPolarHBondContact OG-CB 3.42Å; S303-A381 WeakPolarHBondContact O-CB 3.29Å
304	L	98.9	Very high	98.6	Very high	1 Å²	1	9.1 Å²	9.1	1%	0.005	5%	0.046	C	C	.	.	H	α-helix	trans	-69.8	-32.3	173.3	-59.5	170.6	0	0	0	112.3	A300 W301 G302 A307 E308 L350	A300-L304 WeakPolarHBondContact O-CD1 3.49Å; A300-L304 WeakPolarHBondContact O-CG 3.17Å; W301-L304 WeakPolarHBondContact O-CB 3.42Å; W301-L304 PolarHBondContact O-N 3.07Å; W301-L304 VanDerWaalsContact O-N 3.16Å; G302-L304 PolarHBondContact O-N 2.86Å; G302-L304 VanDerWaalsContact O-N 3.15Å; L304-A307 WeakPolarHBondContact O-CB 3.03Å; L304-A307 PolarHBondContact O-N 3.12Å; L304-E308 WeakPolarHBondContact O-CB 3.4Å; L304-E308 VanDerWaalsContact O-CG 3.29Å; L304-E308 WeakPolarHBondContact O-CG 3.4Å; L304-E308 PolarHBondContact O-N 3.26Å; L304-L350 HydrophobicContact CB-CD2 4.21Å; L304-L350 HydrophobicContact CD1-CD2 4Å; L304-L350 HydrophobicContact CD1-CG 4.18Å
305	G	98.9	Very high	98.7	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-62.5	-40.4	172.2	0	0	0	0	0	113.1	R134 W301 G302 F309	R134-G305 WeakPolarHBondContact CA-O 3.42Å; R134-G305 PolarHBondContact NH1-O 2.87Å; W301-G305 PolarHBondContact O-N 3.25Å; G302-G305 WeakPolarHBondContact O-CA 3.38Å; G302-G305 PolarHBondContact O-N 3.28Å; G305-F309 PolarHBondContact O-N 2.8Å
306	A	98.9	Very high	98.7	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-68.5	-37.2	171.4	0	0	0	0	0	112.5	E133 G302 S303 F309 C310 H406 L410	E133-A306 HydrophobicContact CG-CB 3.91Å; G302-A306 PolarHBondContact O-N 2.82Å; S303-A306 PolarHBondContact O-N 2.72Å; A306-F309 PolarHBondContact O-N 2.74Å; A306-C310 PolarHBondContact O-N 3.02Å; A306-C310 PolarHBondContact O-SG 3.08Å; A306-H406 WeakPolarHBondContact CB-ND1 3.44Å; A306-L410 HydrophobicContact CB-CD1 4.14Å; A306-L410 HydrophobicContact CB-CD2 4.43Å
307	A	98.9	Very high	98.7	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-63.2	-45.7	175	0	0	0	0	0	111.8	S303 L304 C310 F311 I346 A381 I384	S303-A307 PolarHBondContact O-N 3.07Å; L304-A307 WeakPolarHBondContact O-CB 3.03Å; L304-A307 PolarHBondContact O-N 3.12Å; A307-C310 PolarHBondContact O-N 3.17Å; A307-F311 WeakPolarHBondContact O-CB 3.09Å; A307-F311 PolarHBondContact O-N 3.13Å; A307-I346 HydrophobicContact CB-CD1 4.15Å; A307-I346 HydrophobicContact CB-CG1 3.99Å; A307-A381 HydrophobicContact CB-CB 3.87Å; A307-I384 HydrophobicContact CB-CB 4.37Å; A307-I384 HydrophobicContact CB-CD1 4.02Å; A307-I384 HydrophobicContact CB-CG2 4.03Å
308	E	98.9	Very high	98.6	Very high	7 Å²	7	14.9 Å²	14.9	3%	0.033	7%	0.07	C	C	.	.	H	α-helix	trans	-59.3	-43.5	173.1	-74.4	170	154.8	0	0	111.9	R130 R134 L304 C310 F311 H312 I346 L350	R130-E308 IonicContact CZ-OE1 3.5Å; R130-E308 VanDerWaalsContact CZ-OE1 3.3Å; R130-E308 IonicContact CZ-OE2 3.71Å; R130-E308 IonicContact NE-OE1 3.89Å; R130-E308 PolarHBondContact NE-OE1 2.76Å; R130-E308 VanDerWaalsContact NE-OE1 3.09Å; R130-E308 IonicContact NE-OE2 2.72Å; R130-E308 PolarHBondContact NE-OE2 2.86Å; R130-E308 IonicContact NH2-OE1 3.99Å; R130-E308 PolarHBondContact NH2-OE1 2.75Å; R130-E308 IonicContact NH2-OE2 2.81Å; R134-E308 IonicContact CZ-OE2 2.71Å; R134-E308 VanDerWaalsContact NH1-CB 3.29Å; R134-E308 IonicContact NH1-OE2 3.35Å; R134-E308 PolarHBondContact NH1-OE2 2.66Å; R134-E308 IonicContact NH2-OE2 3.76Å; R134-E308 PolarHBondContact NH2-OE2 2.81Å; L304-E308 WeakPolarHBondContact O-CB 3.4Å; L304-E308 VanDerWaalsContact O-CG 3.29Å; L304-E308 WeakPolarHBondContact O-CG 3.4Å; L304-E308 PolarHBondContact O-N 3.26Å; E308-C310 VanDerWaalsContact C-N 3.35Å; E308-C310 PolarHBondContact O-N 3.19Å; E308-F311 PolarHBondContact O-N 3.12Å; E308-H312 WeakPolarHBondContact O-CB 3.43Å; E308-H312 PolarHBondContact O-CD2 2.86Å; E308-H312 PolarHBondContact O-N 3.43Å; E308-I346 HydrophobicContact CG-CD1 4.17Å; E308-I346 HydrophobicContact CG-CG2 3.64Å; E308-L350 WeakPolarHBondContact OE1-CD1 3.42Å
309	F	98.9	Very high	98.5	Very high	35 Å²	35	17.7 Å²	17.7	15%	0.154	8%	0.084	C	C	.	.	H	α-helix	trans	-57.3	-48.7	173.9	-179.1	-83.4	0	0	0	111.1	M82 R134 G305 A306 F311 H312 A313 H402 H406	M82-F309 HydrophobicContact CE-CE2 3.74Å; M82-F309 HydrophobicContact CE-CZ 4.03Å; R134-F309 HydrophobicContact CG-CB 4.24Å; R134-F309 HydrophobicContact CG-CD2 4.47Å; R134-F309 WeakPolarHBondContact O-CD2 3.07Å; G305-F309 PolarHBondContact O-N 2.8Å; A306-F309 PolarHBondContact O-N 2.74Å; F309-F311 PolarHBondContact O-N 3.17Å; F309-H312 PolarHBondContact O-N 3.02Å; F309-A313 HydrophobicContact CE1-CB 4.26Å; F309-A313 VanDerWaalsContact O-CB 3.31Å; F309-A313 WeakPolarHBondContact O-CB 3.35Å; F309-A313 PolarHBondContact O-N 3.42Å; F309-H402 HydrophobicContact CE1-CB 3.66Å; F309-H402 HydrophobicContact CZ-CB 3.73Å; F309-H402 AromaticContact CZ-CD2 3.94Å; F309-H406 AromaticContact CD1-CD2 3.51Å; F309-H406 AromaticContact CD1-NE2 3.49Å; F309-H406 WeakPolarHBondContact CD1-NE2 3.34Å; F309-H406 AromaticContact CE1-CD2 3.83Å; F309-H406 AromaticContact CE1-NE2 3.85Å; F309-H406 AromaticContact CG-NE2 3.83Å
310	C	98.9	Very high	98	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-63	-42.8	179.7	-66.5	0	0	0	0	112.4	A306 A307 E308 A314 I384 A385 A388 H406	A306-C310 PolarHBondContact O-N 3.02Å; A306-C310 PolarHBondContact O-SG 3.08Å; A307-C310 PolarHBondContact O-N 3.17Å; E308-C310 VanDerWaalsContact C-N 3.35Å; E308-C310 PolarHBondContact O-N 3.19Å; C310-A314 VanDerWaalsContact O-CB 3.29Å; C310-A314 WeakPolarHBondContact O-CB 3.34Å; C310-A314 PolarHBondContact O-N 3.39Å; C310-I384 HydrophobicContact CB-CG2 4.3Å; C310-A385 HydrophobicContact CB-CB 4.41Å; C310-A388 HydrophobicContact CB-CB 3.85Å; C310-H406 VanDerWaalsContact SG-CB 3.54Å
311	F	98.9	Very high	97.1	Very high	9 Å²	9	26.8 Å²	26.8	4%	0.039	14%	0.14	C	C	.	.	H	α-helix	trans	-61.9	-48.3	175	168.6	-132.3	0	0	0	111.7	W52 A307 E308 F309 A314 R315 M339 M342 L343 I346	W52-F311 AromaticContact CE3-CE1 3.75Å; W52-F311 HydrophobicContact CE3-CE1 3.75Å; W52-F311 AromaticContact CE3-CZ 3.81Å; W52-F311 HydrophobicContact CE3-CZ 3.81Å; W52-F311 AromaticContact CZ3-CE1 3.78Å; W52-F311 HydrophobicContact CZ3-CE1 3.78Å; W52-F311 HydrophobicContact CZ3-CZ 4.05Å; A307-F311 WeakPolarHBondContact O-CB 3.09Å; A307-F311 PolarHBondContact O-N 3.13Å; E308-F311 PolarHBondContact O-N 3.12Å; F309-F311 PolarHBondContact O-N 3.17Å; F311-A314 PolarHBondContact O-N 3.45Å; F311-R315 HydrophobicContact CE2-CB 4.5Å; F311-R315 VanDerWaalsContact O-CB 3.23Å; F311-R315 WeakPolarHBondContact O-CB 3.3Å; F311-R315 PolarHBondContact O-N 3.32Å; F311-M339 HydrophobicContact CE2-CB 4.03Å; F311-M339 HydrophobicContact CE2-CG 4.22Å; F311-M342 HydrophobicContact CB-CB 4.28Å; F311-M342 HydrophobicContact CB-SD 4.15Å; F311-M342 HydrophobicContact CD2-CB 3.85Å; F311-M342 HydrophobicContact CD2-CG 4.47Å; F311-M342 HydrophobicContact CD2-SD 3.81Å; F311-M342 HydrophobicContact CE2-CB 4.47Å; F311-M342 HydrophobicContact CG-CB 4.15Å; F311-M342 HydrophobicContact CG-SD 4.41Å; F311-L343 HydrophobicContact CE1-CB 4.48Å; F311-L343 HydrophobicContact CE1-CD1 4.26Å; F311-L343 HydrophobicContact CZ-CB 4.23Å; F311-I346 HydrophobicContact CB-CD1 3.95Å; F311-I346 HydrophobicContact CD1-CD1 4.13Å; F311-I346 HydrophobicContact CG-CD1 4.32Å
312	H	98.7	Very high	96.5	Very high	69 Å²	69	31.3 Å²	31.3	32%	0.319	16%	0.157	S	C	.	.	H	α-helix	trans	-63.6	-44.3	179.4	-67.9	178.5	0	0	0	111.7	W52 E308 F309 R315 Q316	W52-H312 AromaticContact CZ3-CD2 3.65Å; W52-H312 AromaticContact CZ3-NE2 3.71Å; E308-H312 WeakPolarHBondContact O-CB 3.43Å; E308-H312 PolarHBondContact O-CD2 2.86Å; E308-H312 PolarHBondContact O-N 3.43Å; F309-H312 PolarHBondContact O-N 3.02Å; H312-R315 PolarHBondContact O-N 2.96Å; H312-Q316 VanDerWaalsContact O-CB 3.24Å; H312-Q316 WeakPolarHBondContact O-CB 3.18Å; H312-Q316 PolarHBondContact O-N 3Å
313	A	98.4	Very high	96.3	Very high	24 Å²	24	35.5 Å²	35.5	20%	0.198	18%	0.178	C	C	.	.	H	α-helix	trans	-61.5	-47	176	0	0	0	0	0	112.1	F309 Q316 Y317 V403	F309-A313 HydrophobicContact CE1-CB 4.26Å; F309-A313 VanDerWaalsContact O-CB 3.31Å; F309-A313 WeakPolarHBondContact O-CB 3.35Å; F309-A313 PolarHBondContact O-N 3.42Å; A313-Q316 PolarHBondContact O-N 2.95Å; A313-Y317 VanDerWaalsContact O-CB 3.25Å; A313-Y317 WeakPolarHBondContact O-CB 3.33Å; A313-Y317 PolarHBondContact O-N 2.82Å; A313-V403 HydrophobicContact CB-CG2 3.89Å
314	A	98.4	Very high	96	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.1	-41.8	178.1	0	0	0	0	0	112.5	C310 F311 T318 A388 M391 L392	C310-A314 VanDerWaalsContact O-CB 3.29Å; C310-A314 WeakPolarHBondContact O-CB 3.34Å; C310-A314 PolarHBondContact O-N 3.39Å; F311-A314 PolarHBondContact O-N 3.45Å; A314-T318 WeakPolarHBondContact O-CB 3.4Å; A314-T318 WeakPolarHBondContact O-CG2 3.24Å; A314-T318 PolarHBondContact O-N 3.34Å; A314-T318 VanDerWaalsContact O-N 3.08Å; A314-T318 PolarHBondContact O-OG1 3.37Å; A314-A388 HydrophobicContact CB-CB 3.87Å; A314-M391 HydrophobicContact CB-CB 4.3Å; A314-M391 HydrophobicContact CB-CE 4.02Å; A314-M391 HydrophobicContact CB-SD 4.09Å; A314-L392 HydrophobicContact CB-CD1 4.19Å
315	R	98.2	Very high	95.8	Very high	60 Å²	60	48.5 Å²	48.5	23%	0.226	24%	0.236	C	C	.	.	H	α-helix	trans	-60.6	-49.7	174.4	-177.8	-168.9	169.8	-73.3	-1	111.2	W52 F311 H312 T318 L319 M339	W52-R315 VanDerWaalsContact CH2-CD 3.46Å; F311-R315 HydrophobicContact CE2-CB 4.5Å; F311-R315 VanDerWaalsContact O-CB 3.23Å; F311-R315 WeakPolarHBondContact O-CB 3.3Å; F311-R315 PolarHBondContact O-N 3.32Å; H312-R315 PolarHBondContact O-N 2.96Å; R315-T318 PolarHBondContact O-N 3.27Å; R315-T318 PolarHBondContact O-OG1 2.88Å; R315-L319 HydrophobicContact CG-CD1 3.91Å; R315-L319 WeakPolarHBondContact O-CB 3.45Å; R315-L319 WeakPolarHBondContact O-CG 3.18Å; R315-L319 PolarHBondContact O-N 2.81Å; R315-M339 HydrophobicContact CB-SD 4.47Å; R315-M339 HydrophobicContact CG-SD 4.23Å
316	Q	97.7	Very high	95.7	Very high	88 Å²	88	51.9 Å²	51.9	41%	0.411	27%	0.271	S	S	.	.	H	α-helix	trans	-64	-46.2	-178.1	-172.5	58.3	24.1	0	0	111.8	H312 A313 T318 L319 D320	H312-Q316 VanDerWaalsContact O-CB 3.24Å; H312-Q316 WeakPolarHBondContact O-CB 3.18Å; H312-Q316 PolarHBondContact O-N 3Å; A313-Q316 PolarHBondContact O-N 2.95Å; Q316-T318 PolarHBondContact O-N 2.93Å; Q316-L319 PolarHBondContact O-N 3.49Å; Q316-D320 PolarHBondContact NE2-OD2 3.34Å; Q316-D320 PolarHBondContact O-N 3.04Å
317	Y	97.6	Very high	95.5	Very high	18 Å²	18	53.3 Å²	53.3	7%	0.071	28%	0.28	C	S	.	.	I	π-helix	trans	-62	-40.1	178.3	178.8	-100.6	0	0	0	113.1	A313 S321 R322 L392 N395 Y401	A313-Y317 VanDerWaalsContact O-CB 3.25Å; A313-Y317 WeakPolarHBondContact O-CB 3.33Å; A313-Y317 PolarHBondContact O-N 2.82Å; Y317-S321 PolarHBondContact O-N 2.78Å; Y317-R322 HydrophobicContact CD1-CB 4.25Å; Y317-R322 HydrophobicContact CE1-CB 3.84Å; Y317-R322 HydrophobicContact CE1-CG 4.11Å; Y317-R322 HydrophobicContact CE2-CB 4.39Å; Y317-R322 PolarHBondContact O-N 2.79Å; Y317-L392 HydrophobicContact CD1-CB 4.4Å; Y317-L392 HydrophobicContact CD1-CD1 3.94Å; Y317-L392 HydrophobicContact CD1-CG 3.79Å; Y317-L392 HydrophobicContact CD2-CG 4.47Å; Y317-L392 HydrophobicContact CE1-CB 4.22Å; Y317-L392 HydrophobicContact CE1-CG 4.05Å; Y317-L392 HydrophobicContact CG-CD1 4.18Å; Y317-L392 HydrophobicContact CG-CG 4Å; Y317-L392 PolarHBondContact OH-O 2.99Å; Y317-L392 VanDerWaalsContact OH-O 3.09Å; Y317-N395 PolarHBondContact OH-ND2 3.46Å; Y317-Y401 HydrophobicContact CD2-CE1 4.14Å; Y317-Y401 AromaticContact CE2-CE1 3.95Å; Y317-Y401 HydrophobicContact CE2-CE1 3.95Å
318	T	97	Very high	95.5	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.295	C	S	.	.	I	π-helix	trans	-83.7	-18.6	-177	55	0	0	0	0	114.3	A314 R315 Q316 L329 A330 M335 M339 M391	A314-T318 WeakPolarHBondContact O-CB 3.4Å; A314-T318 WeakPolarHBondContact O-CG2 3.24Å; A314-T318 PolarHBondContact O-N 3.34Å; A314-T318 VanDerWaalsContact O-N 3.08Å; A314-T318 PolarHBondContact O-OG1 3.37Å; R315-T318 PolarHBondContact O-N 3.27Å; R315-T318 PolarHBondContact O-OG1 2.88Å; Q316-T318 PolarHBondContact O-N 2.93Å; T318-L329 HydrophobicContact CG2-CB 3.87Å; T318-L329 HydrophobicContact CG2-CD1 4.13Å; T318-L329 PolarHBondContact O-N 3.09Å; T318-A330 WeakPolarHBondContact O-CB 3.45Å; T318-A330 PolarHBondContact O-N 3.36Å; T318-M335 HydrophobicContact CG2-SD 4.47Å; T318-M339 WeakPolarHBondContact OG1-CE 3.45Å; T318-M391 HydrophobicContact CG2-CB 4.48Å; T318-M391 HydrophobicContact CG2-CE 4.25Å
319	L	96	Very high	95.4	Very high	59 Å²	59	56.5 Å²	56.5	31%	0.309	30%	0.3	S	S	.	.	I	π-helix	trans	-80.4	-59.4	168.1	-77.9	167.9	0	0	0	111.4	R315 Q316 P328 A330	R315-L319 HydrophobicContact CG-CD1 3.91Å; R315-L319 WeakPolarHBondContact O-CB 3.45Å; R315-L319 WeakPolarHBondContact O-CG 3.18Å; R315-L319 PolarHBondContact O-N 2.81Å; Q316-L319 PolarHBondContact O-N 3.49Å; L319-P328 WeakPolarHBondContact O-CB 3.23Å; L319-A330 HydrophobicContact CD2-CB 3.7Å; L319-A330 HydrophobicContact CG-CB 3.87Å
320	D	89.9	Confident	95.3	Very high	111 Å²	111	55.3 Å²	55.3	59%	0.594	30%	0.296	S	S	*	.	I	π-helix	trans	-104.4	-37.8	-160.2	-65.1	0.8	0	0	0	112.6	Q316	Q316-D320 PolarHBondContact NE2-OD2 3.34Å; Q316-D320 PolarHBondContact O-N 3.04Å
321	S	79.6	Confident	95.3	Very high	82 Å²	82	63.7 Å²	63.7	57%	0.573	33%	0.328	S	S	*	.	I	π-helix	trans	-89.7	-24.4	-170	-47.1	0	0	0	0	114.8	Y317	Y317-S321 PolarHBondContact O-N 2.78Å
322	R	87	Confident	95.2	Very high	94 Å²	94	66.5 Å²	66.5	36%	0.355	34%	0.344	S	S	.	.			trans	-130.2	100.2	-170.9	-169.5	64.6	-176.4	-160.9	3.9	113.7	Y317 Q324 L329	Y317-R322 HydrophobicContact CD1-CB 4.25Å; Y317-R322 HydrophobicContact CE1-CB 3.84Å; Y317-R322 HydrophobicContact CE1-CG 4.11Å; Y317-R322 HydrophobicContact CE2-CB 4.39Å; Y317-R322 PolarHBondContact O-N 2.79Å; R322-Q324 HydrophobicContact CG-CG 4.46Å; R322-Q324 VanDerWaalsContact NH2-OE1 3.13Å; R322-L329 HydrophobicContact CB-CD1 3.92Å; R322-L329 HydrophobicContact CB-CG 4.39Å; R322-L329 HydrophobicContact CG-CD1 3.42Å; R322-L329 VanDerWaalsContact CG-CD1 3.42Å; R322-L329 HydrophobicContact CG-CG 3.99Å; R322-L329 PolarHBondContact O-N 3.44Å; R322-L329 VanDerWaalsContact O-N 3.17Å
323	I	92.9	Very high	95.2	Very high	88 Å²	88	71.2 Å²	71.2	45%	0.451	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	135.3	166.1	-54.1	-54.7	0	0	0	109.9	V327 P328	I323-V327 CarbonylContact C-O 3.39Å; I323-V327 WeakPolarHBondContact CA-O 3.39Å; I323-P328 HydrophobicContact CD1-CB 4.31Å; I323-P328 HydrophobicContact CD1-CG 3.86Å
324	Q	93.1	Very high	95.2	Very high	73 Å²	73	76.8 Å²	76.8	34%	0.341	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	147.3	166.5	-69.2	-68.3	-105.1	0	0	109.6	R322 G326 V327 L329	R322-Q324 HydrophobicContact CG-CG 4.46Å; R322-Q324 VanDerWaalsContact NH2-OE1 3.13Å; Q324-G326 PolarHBondContact O-N 3.45Å; Q324-G326 VanDerWaalsContact O-N 3.09Å; Q324-V327 PolarHBondContact N-O 3.12Å; Q324-V327 WeakPolarHBondContact O-CG2 3.48Å; Q324-V327 PolarHBondContact O-N 2.91Å; Q324-L329 HydrophobicContact CB-CD2 3.98Å; Q324-L329 HydrophobicContact CG-CD2 3.94Å; Q324-L329 HydrophobicContact CG-CG 4.4Å
325	F	95.6	Very high	95.2	Very high	201 Å²	201	78.5 Å²	78.5	88%	0.882	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	34.7	-176.6	-49.8	-74.1	0	0	0	113.6	V327	F325-V327 VanDerWaalsContact C-N 3.32Å; F325-V327 PolarHBondContact O-N 3.34Å
326	G	95.3	Very high	95.2	Very high	72 Å²	72	80.4 Å²	80.4	74%	0.742	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.3	6	-178.7	0	0	0	0	0	116.1	Q324	Q324-G326 PolarHBondContact O-N 3.45Å; Q324-G326 VanDerWaalsContact O-N 3.09Å
327	V	96.4	Very high	95.3	Very high	30 Å²	30	82 Å²	82	18%	0.182	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	156	-176.6	-60.8	0	0	0	0	113	I323 Q324 F325	I323-V327 CarbonylContact C-O 3.39Å; I323-V327 WeakPolarHBondContact CA-O 3.39Å; Q324-V327 PolarHBondContact N-O 3.12Å; Q324-V327 WeakPolarHBondContact O-CG2 3.48Å; Q324-V327 PolarHBondContact O-N 2.91Å; F325-V327 VanDerWaalsContact C-N 3.32Å; F325-V327 PolarHBondContact O-N 3.34Å
328	P	97.6	Very high	95.3	Very high	49 Å²	49	83.3 Å²	83.3	32%	0.318	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	139.9	167.1	-27.1	36.5	0	0	0	112.3	L319 I323 A330 R331	L319-P328 WeakPolarHBondContact O-CB 3.23Å; I323-P328 HydrophobicContact CD1-CB 4.31Å; I323-P328 HydrophobicContact CD1-CG 3.86Å; P328-A330 PolarHBondContact O-N 2.96Å; P328-R331 VanDerWaalsContact O-CB 3.31Å; P328-R331 WeakPolarHBondContact O-CB 3.49Å; P328-R331 PolarHBondContact O-N 3.29Å
329	L	97.4	Very high	95.4	Very high	25 Å²	25	84.7 Å²	84.7	13%	0.131	43%	0.43	C	S	.	.	G	3₁₀ helix	trans	-56.3	-36.1	176.1	-80.2	-178.6	0	0	0	112.4	T318 R322 Q324 R331 N332 M335	T318-L329 HydrophobicContact CG2-CB 3.87Å; T318-L329 HydrophobicContact CG2-CD1 4.13Å; T318-L329 PolarHBondContact O-N 3.09Å; R322-L329 HydrophobicContact CB-CD1 3.92Å; R322-L329 HydrophobicContact CB-CG 4.39Å; R322-L329 HydrophobicContact CG-CD1 3.42Å; R322-L329 VanDerWaalsContact CG-CD1 3.42Å; R322-L329 HydrophobicContact CG-CG 3.99Å; R322-L329 PolarHBondContact O-N 3.44Å; R322-L329 VanDerWaalsContact O-N 3.17Å; Q324-L329 HydrophobicContact CB-CD2 3.98Å; Q324-L329 HydrophobicContact CG-CD2 3.94Å; Q324-L329 HydrophobicContact CG-CG 4.4Å; L329-R331 PolarHBondContact O-N 2.84Å; L329-R331 VanDerWaalsContact O-N 3.11Å; L329-N332 WeakPolarHBondContact O-CB 3.35Å; L329-N332 PolarHBondContact O-N 2.89Å; L329-N332 PolarHBondContact O-ND2 3.13Å; L329-M335 HydrophobicContact CD1-CE 4.28Å; L329-M335 HydrophobicContact CD2-CE 4.33Å; L329-M335 WeakPolarHBondContact O-CG 3.3Å
330	A	97.4	Very high	95.5	Very high	10 Å²	10	84.3 Å²	84.3	8%	0.083	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-64.2	-9.6	177.6	0	0	0	0	0	114.8	T318 L319 P328 N332 Q336 M339	T318-A330 WeakPolarHBondContact O-CB 3.45Å; T318-A330 PolarHBondContact O-N 3.36Å; L319-A330 HydrophobicContact CD2-CB 3.7Å; L319-A330 HydrophobicContact CG-CB 3.87Å; P328-A330 PolarHBondContact O-N 2.96Å; A330-N332 VanDerWaalsContact C-N 3.28Å; A330-Q336 VanDerWaalsContact O-CG 3.26Å; A330-Q336 WeakPolarHBondContact O-CG 3.49Å; A330-Q336 PolarHBondContact O-NE2 2.86Å; A330-M339 HydrophobicContact CB-CE 3.92Å
331	R	97.4	Very high	96	Very high	176 Å²	176	82.4 Å²	82.4	66%	0.664	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-70.3	-24.4	169.1	-176.7	176.3	172.1	179	-2.9	112.5	P328 L329	P328-R331 VanDerWaalsContact O-CB 3.31Å; P328-R331 WeakPolarHBondContact O-CB 3.49Å; P328-R331 PolarHBondContact O-N 3.29Å; L329-R331 PolarHBondContact O-N 2.84Å; L329-R331 VanDerWaalsContact O-N 3.11Å
332	N	98.1	Very high	96.9	Very high	68 Å²	68	78.6 Å²	78.6	36%	0.364	40%	0.398	S	S	.	.	S	Bend	trans	-80.9	133.4	-171.2	-61	-78.1	0	0	0	111.5	L329 A330 L334 M335 Q336	L329-N332 WeakPolarHBondContact O-CB 3.35Å; L329-N332 PolarHBondContact O-N 2.89Å; L329-N332 PolarHBondContact O-ND2 3.13Å; A330-N332 VanDerWaalsContact C-N 3.28Å; N332-L334 PolarHBondContact O-N 3.25Å; N332-L334 VanDerWaalsContact O-N 3.14Å; N332-M335 HydrophobicContact CB-CG 4.38Å; N332-M335 WeakPolarHBondContact O-CB 3.27Å; N332-M335 PolarHBondContact O-N 2.85Å; N332-Q336 PolarHBondContact O-N 3.13Å; N332-Q336 VanDerWaalsContact O-N 3.09Å
333	Q	98.5	Very high	97.4	Very high	168 Å²	168	75.5 Å²	75.5	79%	0.785	39%	0.389	S	S	*	.	H	α-helix	trans	-53	-38.6	-177.2	-70.1	175.9	-26.2	0	0	113.3	M335 Q336 K337	Q333-M335 VanDerWaalsContact C-N 3.34Å; Q333-M335 PolarHBondContact O-N 3.06Å; Q333-Q336 PolarHBondContact O-N 3.22Å; Q333-K337 PolarHBondContact O-N 3.28Å
334	L	98.4	Very high	97.7	Very high	141 Å²	141	75 Å²	75	74%	0.738	39%	0.39	S	S	*	.	H	α-helix	trans	-66.2	-32.5	178.2	-62	178.9	0	0	0	113.1	N332 K338	N332-L334 PolarHBondContact O-N 3.25Å; N332-L334 VanDerWaalsContact O-N 3.14Å; L334-K338 WeakPolarHBondContact O-CG 3.12Å; L334-K338 PolarHBondContact O-N 2.73Å
335	M	98.1	Very high	98	Very high	36 Å²	36	74 Å²	74	18%	0.177	39%	0.385	C	S	.	.	H	α-helix	trans	-73.8	-40.9	173.7	-64.1	-60.9	-175.4	0	0	110.8	T318 L329 N332 Q333 K338 M339 M391	T318-M335 HydrophobicContact CG2-SD 4.47Å; L329-M335 HydrophobicContact CD1-CE 4.28Å; L329-M335 HydrophobicContact CD2-CE 4.33Å; L329-M335 WeakPolarHBondContact O-CG 3.3Å; N332-M335 HydrophobicContact CB-CG 4.38Å; N332-M335 WeakPolarHBondContact O-CB 3.27Å; N332-M335 PolarHBondContact O-N 2.85Å; Q333-M335 VanDerWaalsContact C-N 3.34Å; Q333-M335 PolarHBondContact O-N 3.06Å; M335-K338 PolarHBondContact O-N 3.11Å; M335-M339 WeakPolarHBondContact O-CG 3.23Å; M335-M339 PolarHBondContact O-N 3.19Å; M335-M391 HydrophobicContact SD-CB 4.31Å; M335-M391 HydrophobicContact SD-CE 4.08Å; M335-M391 HydrophobicContact SD-CG 3.78Å
336	Q	98.6	Very high	98.2	Very high	99 Å²	99	64.8 Å²	64.8	46%	0.463	35%	0.345	S	S	.	.	H	α-helix	trans	-64.8	-38.7	177.2	-65.5	179.7	-1.3	0	0	112.2	A330 N332 Q333 M339 A340	A330-Q336 VanDerWaalsContact O-CG 3.26Å; A330-Q336 WeakPolarHBondContact O-CG 3.49Å; A330-Q336 PolarHBondContact O-NE2 2.86Å; N332-Q336 PolarHBondContact O-N 3.13Å; N332-Q336 VanDerWaalsContact O-N 3.09Å; Q333-Q336 PolarHBondContact O-N 3.22Å; Q336-M339 PolarHBondContact O-N 2.63Å; Q336-A340 PolarHBondContact O-N 3.37Å
337	K	98.8	Very high	98.3	Very high	122 Å²	122	62.1 Å²	62.1	53%	0.53	31%	0.314	S	S	.	.	H	α-helix	trans	-59.6	-50.2	172.9	-166.4	-150.2	177.3	-62.5	0	111.1	Q333 M339 A340 D341	Q333-K337 PolarHBondContact O-N 3.28Å; K337-M339 VanDerWaalsContact C-N 3.28Å; K337-M339 PolarHBondContact O-N 3.27Å; K337-A340 WeakPolarHBondContact O-CB 3.39Å; K337-A340 PolarHBondContact O-N 2.88Å; K337-A340 VanDerWaalsContact O-N 3.08Å; K337-D341 IonicContact NZ-OD1 2.72Å; K337-D341 PolarHBondContact NZ-OD1 2.76Å; K337-D341 IonicContact NZ-OD2 3.19Å; K337-D341 PolarHBondContact NZ-OD2 2.97Å; K337-D341 PolarHBondContact O-N 2.95Å
338	K	98.8	Very high	98.5	Very high	46 Å²	46	64.7 Å²	64.7	20%	0.2	33%	0.326	C	S	.	.	H	α-helix	trans	-56.3	-42.3	177.1	-71.3	-173.9	-177.4	-147.4	0	111.9	L334 M335 D341 M342 M391	L334-K338 WeakPolarHBondContact O-CG 3.12Å; L334-K338 PolarHBondContact O-N 2.73Å; M335-K338 PolarHBondContact O-N 3.11Å; K338-D341 PolarHBondContact O-N 3.28Å; K338-M342 WeakPolarHBondContact O-CB 3.33Å; K338-M342 WeakPolarHBondContact O-CG 3.43Å; K338-M342 PolarHBondContact O-N 2.97Å; K338-M391 HydrophobicContact CB-CE 4.43Å; K338-M391 HydrophobicContact CB-SD 3.68Å; K338-M391 HydrophobicContact CD-CG 3.54Å; K338-M391 HydrophobicContact CD-SD 3.65Å; K338-M391 HydrophobicContact CG-SD 4.33Å
339	M	98.6	Very high	98.5	Very high	28 Å²	28	62.4 Å²	62.4	14%	0.138	31%	0.311	C	S	.	.	H	α-helix	trans	-64.3	-38.9	176	-68.8	-179.5	-160.4	0	0	113.3	F311 R315 T318 A330 M335 Q336 K337 L343 M391	F311-M339 HydrophobicContact CE2-CB 4.03Å; F311-M339 HydrophobicContact CE2-CG 4.22Å; R315-M339 HydrophobicContact CB-SD 4.47Å; R315-M339 HydrophobicContact CG-SD 4.23Å; T318-M339 WeakPolarHBondContact OG1-CE 3.45Å; A330-M339 HydrophobicContact CB-CE 3.92Å; M335-M339 WeakPolarHBondContact O-CG 3.23Å; M335-M339 PolarHBondContact O-N 3.19Å; Q336-M339 PolarHBondContact O-N 2.63Å; K337-M339 VanDerWaalsContact C-N 3.28Å; K337-M339 PolarHBondContact O-N 3.27Å; M339-L343 WeakPolarHBondContact O-CB 3.34Å; M339-L343 PolarHBondContact O-N 3.48Å; M339-M391 HydrophobicContact CE-CE 3.79Å; M339-M391 HydrophobicContact CG-CE 4.09Å
340	A	98.8	Very high	98.6	Very high	52 Å²	52	61.6 Å²	61.6	43%	0.43	31%	0.307	S	S	.	.	H	α-helix	trans	-65.6	-45.9	175.3	0	0	0	0	0	111.3	Q336 K337 M342 L343 T344	Q336-A340 PolarHBondContact O-N 3.37Å; K337-A340 WeakPolarHBondContact O-CB 3.39Å; K337-A340 PolarHBondContact O-N 2.88Å; K337-A340 VanDerWaalsContact O-N 3.08Å; A340-M342 VanDerWaalsContact C-N 3.34Å; A340-M342 PolarHBondContact O-N 3.37Å; A340-L343 PolarHBondContact O-N 2.96Å; A340-T344 WeakPolarHBondContact O-CB 3.13Å; A340-T344 PolarHBondContact O-N 2.9Å; A340-T344 PolarHBondContact O-OG1 3.46Å
341	D	98.9	Very high	98.7	Very high	70 Å²	70	63.4 Å²	63.4	37%	0.374	31%	0.314	S	S	.	.	H	α-helix	trans	-56.5	-47.7	175.7	-57.5	-30.5	0	0	0	110.9	K337 K338 E345	K337-D341 IonicContact NZ-OD1 2.72Å; K337-D341 PolarHBondContact NZ-OD1 2.76Å; K337-D341 IonicContact NZ-OD2 3.19Å; K337-D341 PolarHBondContact NZ-OD2 2.97Å; K337-D341 PolarHBondContact O-N 2.95Å; K338-D341 PolarHBondContact O-N 3.28Å; D341-E345 VanDerWaalsContact O-CG 3.27Å; D341-E345 WeakPolarHBondContact O-CG 3.38Å; D341-E345 PolarHBondContact O-N 2.97Å
342	M	98.9	Very high	98.7	Very high	3 Å²	3	57 Å²	57	2%	0.015	30%	0.296	C	S	.	.	H	α-helix	trans	-59.6	-49.5	177.3	-70.5	171.9	-179.6	0	0	112.3	F311 K338 A340 I346 I384 Q387 A388 M391	F311-M342 HydrophobicContact CB-CB 4.28Å; F311-M342 HydrophobicContact CB-SD 4.15Å; F311-M342 HydrophobicContact CD2-CB 3.85Å; F311-M342 HydrophobicContact CD2-CG 4.47Å; F311-M342 HydrophobicContact CD2-SD 3.81Å; F311-M342 HydrophobicContact CE2-CB 4.47Å; F311-M342 HydrophobicContact CG-CB 4.15Å; F311-M342 HydrophobicContact CG-SD 4.41Å; K338-M342 WeakPolarHBondContact O-CB 3.33Å; K338-M342 WeakPolarHBondContact O-CG 3.43Å; K338-M342 PolarHBondContact O-N 2.97Å; A340-M342 VanDerWaalsContact C-N 3.34Å; A340-M342 PolarHBondContact O-N 3.37Å; M342-I346 WeakPolarHBondContact O-CB 3.47Å; M342-I346 WeakPolarHBondContact O-CD1 3.32Å; M342-I346 VanDerWaalsContact O-CG1 3.26Å; M342-I346 WeakPolarHBondContact O-CG1 3.2Å; M342-I346 PolarHBondContact O-N 3.32Å; M342-I346 VanDerWaalsContact O-N 3.09Å; M342-I384 HydrophobicContact CB-CG1 4.4Å; M342-I384 HydrophobicContact CB-CG2 4.47Å; M342-I384 HydrophobicContact CG-CB 4.4Å; M342-I384 HydrophobicContact CG-CG1 4.05Å; M342-I384 HydrophobicContact CG-CG2 3.93Å; M342-I384 HydrophobicContact SD-CG2 4.42Å; M342-Q387 HydrophobicContact CE-CB 3.63Å; M342-A388 HydrophobicContact CE-CB 3.99Å; M342-M391 HydrophobicContact CE-SD 3.64Å; M342-M391 HydrophobicContact SD-SD 4.43Å
343	L	98.9	Very high	98.8	Very high	29 Å²	29	53.8 Å²	53.8	15%	0.152	28%	0.279	C	S	.	.	H	α-helix	trans	-61.8	-49.8	-177.8	178.3	56.2	0	0	0	111.3	F50 W52 A55 F311 M339 A340 E345 I346 T347	F50-L343 HydrophobicContact CE1-CD2 4.34Å; F50-L343 HydrophobicContact CZ-CD2 4.16Å; W52-L343 HydrophobicContact CB-CD2 4.37Å; W52-L343 WeakPolarHBondContact O-CD1 3.28Å; A55-L343 HydrophobicContact CB-CD1 4.12Å; A55-L343 HydrophobicContact CB-CG 4.45Å; F311-L343 HydrophobicContact CE1-CB 4.48Å; F311-L343 HydrophobicContact CE1-CD1 4.26Å; F311-L343 HydrophobicContact CZ-CB 4.23Å; M339-L343 WeakPolarHBondContact O-CB 3.34Å; M339-L343 PolarHBondContact O-N 3.48Å; A340-L343 PolarHBondContact O-N 2.96Å; L343-E345 PolarHBondContact O-N 3.17Å; L343-I346 PolarHBondContact O-N 3.32Å; L343-T347 WeakPolarHBondContact O-CB 3.43Å; L343-T347 PolarHBondContact O-N 3.42Å; L343-T347 PolarHBondContact O-OG1 3.11Å
344	T	98.9	Very high	98.8	Very high	78 Å²	78	46.3 Å²	46.3	48%	0.479	24%	0.244	S	C	.	.	H	α-helix	trans	-57.1	-46.9	-179.5	-67.5	0	0	0	0	112.3	A340 T347 I348	A340-T344 WeakPolarHBondContact O-CB 3.13Å; A340-T344 PolarHBondContact O-N 2.9Å; A340-T344 PolarHBondContact O-OG1 3.46Å; T344-T347 PolarHBondContact O-N 3.47Å; T344-I348 HydrophobicContact CG2-CD1 3.71Å; T344-I348 WeakPolarHBondContact O-CB 3.44Å; T344-I348 VanDerWaalsContact O-CG1 3.28Å; T344-I348 WeakPolarHBondContact O-CG1 3.45Å; T344-I348 PolarHBondContact O-N 2.97Å
345	E	98.9	Very high	98.8	Very high	52 Å²	52	44.7 Å²	44.7	24%	0.243	23%	0.233	C	C	.	.	H	α-helix	trans	-70.5	-37.8	-177.3	-64.3	-72.6	-178.9	0	0	112.6	D341 L343 G349 K380 I384	D341-E345 VanDerWaalsContact O-CG 3.27Å; D341-E345 WeakPolarHBondContact O-CG 3.38Å; D341-E345 PolarHBondContact O-N 2.97Å; L343-E345 PolarHBondContact O-N 3.17Å; E345-G349 PolarHBondContact O-N 2.88Å; E345-K380 HydrophobicContact CB-CB 4.45Å; E345-K380 HydrophobicContact CB-CD 4.47Å; E345-K380 HydrophobicContact CG-CD 4.18Å; E345-K380 IonicContact OE1-NZ 2.93Å; E345-K380 PolarHBondContact OE1-NZ 3.33Å; E345-K380 WeakPolarHBondContact OE2-CD 3.33Å; E345-K380 WeakPolarHBondContact OE2-CE 3.42Å; E345-K380 IonicContact OE2-NZ 3.19Å; E345-K380 PolarHBondContact OE2-NZ 2.82Å; E345-I384 HydrophobicContact CB-CD1 4.17Å
346	I	98.9	Very high	98.8	Very high	6 Å²	6	43.2 Å²	43.2	3%	0.031	23%	0.226	C	C	.	.	H	α-helix	trans	-61.6	-50.9	172.8	-71.9	165.9	0	0	0	110.3	A307 E308 F311 M342 L343 I348 G349 L350 I384	A307-I346 HydrophobicContact CB-CD1 4.15Å; A307-I346 HydrophobicContact CB-CG1 3.99Å; E308-I346 HydrophobicContact CG-CD1 4.17Å; E308-I346 HydrophobicContact CG-CG2 3.64Å; F311-I346 HydrophobicContact CB-CD1 3.95Å; F311-I346 HydrophobicContact CD1-CD1 4.13Å; F311-I346 HydrophobicContact CG-CD1 4.32Å; M342-I346 WeakPolarHBondContact O-CB 3.47Å; M342-I346 WeakPolarHBondContact O-CD1 3.32Å; M342-I346 VanDerWaalsContact O-CG1 3.26Å; M342-I346 WeakPolarHBondContact O-CG1 3.2Å; M342-I346 PolarHBondContact O-N 3.32Å; M342-I346 VanDerWaalsContact O-N 3.09Å; L343-I346 PolarHBondContact O-N 3.32Å; I346-I348 PolarHBondContact O-N 3Å; I346-G349 PolarHBondContact O-N 2.8Å; I346-G349 VanDerWaalsContact O-N 3.16Å; I346-L350 HydrophobicContact CG2-CD1 3.77Å; I346-L350 HydrophobicContact CG2-CG 4.31Å; I346-L350 WeakPolarHBondContact O-CG 3.44Å; I346-L350 PolarHBondContact O-N 2.89Å; I346-I384 HydrophobicContact CD1-CD1 4.22Å; I346-I384 HydrophobicContact CG1-CD1 3.8Å
347	T	98.9	Very high	98.8	Very high	16 Å²	16	38.5 Å²	38.5	10%	0.098	20%	0.204	C	C	.	.	H	α-helix	trans	-62.4	-43.6	-176.9	-62.4	0	0	0	0	112.3	A55 L56 L343 T344 G349 L350 Q351	A55-T347 HydrophobicContact CB-CG2 4.06Å; L56-T347 HydrophobicContact CB-CG2 3.88Å; L56-T347 HydrophobicContact CD1-CG2 3.65Å; L56-T347 HydrophobicContact CG-CG2 3.6Å; L343-T347 WeakPolarHBondContact O-CB 3.43Å; L343-T347 PolarHBondContact O-N 3.42Å; L343-T347 PolarHBondContact O-OG1 3.11Å; T344-T347 PolarHBondContact O-N 3.47Å; T347-G349 VanDerWaalsContact C-N 3.34Å; T347-L350 PolarHBondContact O-N 2.96Å; T347-Q351 WeakPolarHBondContact O-CG 3.38Å; T347-Q351 PolarHBondContact O-N 3.15Å
348	I	98.9	Very high	98.8	Very high	84 Å²	84	35.5 Å²	35.5	43%	0.431	19%	0.189	S	C	.	.	H	α-helix	trans	-63.6	-41.4	174.5	-68.5	168.2	0	0	0	110.7	T344 I346 S352	T344-I348 HydrophobicContact CG2-CD1 3.71Å; T344-I348 WeakPolarHBondContact O-CB 3.44Å; T344-I348 VanDerWaalsContact O-CG1 3.28Å; T344-I348 WeakPolarHBondContact O-CG1 3.45Å; T344-I348 PolarHBondContact O-N 2.97Å; I346-I348 PolarHBondContact O-N 3Å; I348-S352 WeakPolarHBondContact O-CB 3.33Å; I348-S352 PolarHBondContact O-N 3.45Å; I348-S352 VanDerWaalsContact O-N 3.11Å; I348-S352 PolarHBondContact O-OG 2.93Å
349	G	98.8	Very high	98.8	Very high	1 Å²	1	35 Å²	35	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-59.5	-48.8	176.7	0	0	0	0	0	112.7	E345 I346 T347 S352 C353	E345-G349 PolarHBondContact O-N 2.88Å; I346-G349 PolarHBondContact O-N 2.8Å; I346-G349 VanDerWaalsContact O-N 3.16Å; T347-G349 VanDerWaalsContact C-N 3.34Å; G349-S352 PolarHBondContact O-N 3.08Å; G349-C353 WeakPolarHBondContact O-CB 3.37Å; G349-C353 PolarHBondContact O-N 3.12Å; G349-C353 PolarHBondContact O-SG 3.42Å
350	L	98.9	Very high	98.8	Very high	9 Å²	9	35 Å²	35	5%	0.047	19%	0.189	C	C	.	.	H	α-helix	trans	-63.5	-49.5	-177.9	-70.7	168.2	0	0	0	112.3	L58 W301 L304 E308 I346 T347 S352 C353 L354	L58-L350 HydrophobicContact CD2-CB 4.34Å; L58-L350 HydrophobicContact CD2-CD1 4.34Å; L58-L350 HydrophobicContact CD2-CD2 4.36Å; W301-L350 HydrophobicContact CE3-CD2 4.23Å; W301-L350 HydrophobicContact CZ3-CD2 4.09Å; L304-L350 HydrophobicContact CB-CD2 4.21Å; L304-L350 HydrophobicContact CD1-CD2 4Å; L304-L350 HydrophobicContact CD1-CG 4.18Å; E308-L350 WeakPolarHBondContact OE1-CD1 3.42Å; I346-L350 HydrophobicContact CG2-CD1 3.77Å; I346-L350 HydrophobicContact CG2-CG 4.31Å; I346-L350 WeakPolarHBondContact O-CG 3.44Å; I346-L350 PolarHBondContact O-N 2.89Å; T347-L350 PolarHBondContact O-N 2.96Å; L350-S352 VanDerWaalsContact C-N 3.26Å; L350-S352 PolarHBondContact O-N 2.64Å; L350-C353 PolarHBondContact O-N 2.73Å; L350-C353 VanDerWaalsContact O-N 3.12Å; L350-L354 PolarHBondContact O-N 2.9Å
351	Q	98.9	Very high	98.7	Very high	48 Å²	48	35.5 Å²	35.5	22%	0.224	18%	0.184	C	C	.	.	H	α-helix	trans	-58.8	-40.2	177.5	-70.7	-68.1	-56.5	0	0	111.4	L56 T347 Q355	L56-Q351 HydrophobicContact CB-CG 4.18Å; L56-Q351 HydrophobicContact CD1-CG 4.02Å; T347-Q351 WeakPolarHBondContact O-CG 3.38Å; T347-Q351 PolarHBondContact O-N 3.15Å; Q351-Q355 PolarHBondContact O-N 3.1Å; Q351-Q355 VanDerWaalsContact O-N 3.11Å
352	S	98.8	Very high	98.6	Very high	41 Å²	41	37 Å²	37	29%	0.287	19%	0.189	S	C	.	.	H	α-helix	trans	-64.7	-43.7	175.2	-56.9	0	0	0	0	112.2	I348 G349 L350 Q355 L356 L373	I348-S352 WeakPolarHBondContact O-CB 3.33Å; I348-S352 PolarHBondContact O-N 3.45Å; I348-S352 VanDerWaalsContact O-N 3.11Å; I348-S352 PolarHBondContact O-OG 2.93Å; G349-S352 PolarHBondContact O-N 3.08Å; L350-S352 VanDerWaalsContact C-N 3.26Å; L350-S352 PolarHBondContact O-N 2.64Å; S352-Q355 PolarHBondContact O-N 2.72Å; S352-L356 PolarHBondContact O-N 3.05Å; S352-L373 WeakPolarHBondContact O-CD1 3.33Å
353	C	98.8	Very high	98.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-69.3	-33.7	-179.1	-66.5	0	0	0	0	112.6	A300 W301 G349 L350 G357	A300-C353 PolarHBondContact O-SG 3.1Å; W301-C353 HydrophobicContact CD2-CB 3.81Å; W301-C353 HydrophobicContact CE3-CB 4.46Å; W301-C353 HydrophobicContact CG-CB 4.01Å; W301-C353 HydrophobicContact CZ2-CB 4.19Å; W301-C353 PolarHBondContact NE1-O 3.48Å; G349-C353 WeakPolarHBondContact O-CB 3.37Å; G349-C353 PolarHBondContact O-N 3.12Å; G349-C353 PolarHBondContact O-SG 3.42Å; L350-C353 PolarHBondContact O-N 2.73Å; L350-C353 VanDerWaalsContact O-N 3.12Å; C353-G357 PolarHBondContact O-N 3.04Å
354	L	98.9	Very high	98.5	Very high	12 Å²	12	51 Å²	51	6%	0.063	25%	0.248	C	C	.	.	H	α-helix	trans	-60.7	-53.8	169.1	-178.7	69.7	0	0	0	111.4	L58 Q61 L62 V123 W301 L350 L356 G357 R358	L58-L354 HydrophobicContact CD1-CB 4.26Å; L58-L354 HydrophobicContact CD1-CD1 4.44Å; L58-L354 HydrophobicContact CD1-CD2 3.92Å; L58-L354 HydrophobicContact CD1-CG 4.42Å; Q61-L354 HydrophobicContact CB-CD2 3.61Å; Q61-L354 HydrophobicContact CG-CD2 4.36Å; L62-L354 HydrophobicContact CD2-CD1 3.93Å; V123-L354 HydrophobicContact CB-CD1 4.37Å; V123-L354 HydrophobicContact CG1-CD1 3.54Å; V123-L354 HydrophobicContact CG2-CD1 3.85Å; W301-L354 HydrophobicContact CH2-CB 4.34Å; W301-L354 HydrophobicContact CZ2-CB 4.29Å; L350-L354 PolarHBondContact O-N 2.9Å; L354-L356 VanDerWaalsContact C-N 3.26Å; L354-L356 PolarHBondContact O-N 2.8Å; L354-G357 WeakPolarHBondContact O-CA 3.17Å; L354-G357 PolarHBondContact O-N 2.89Å; L354-R358 PolarHBondContact O-N 2.81Å
355	Q	98.8	Very high	98.4	Very high	107 Å²	107	48.7 Å²	48.7	50%	0.5	24%	0.238	S	C	.	.	H	α-helix	trans	-59.7	-38.8	-179.6	-179.5	57.4	28.7	0	0	111.6	Q351 S352 L359	Q351-Q355 PolarHBondContact O-N 3.1Å; Q351-Q355 VanDerWaalsContact O-N 3.11Å; S352-Q355 PolarHBondContact O-N 2.72Å; Q355-L359 HydrophobicContact CG-CD1 4.16Å; Q355-L359 WeakPolarHBondContact O-CB 3.45Å; Q355-L359 VanDerWaalsContact O-CG 3.25Å; Q355-L359 WeakPolarHBondContact O-CG 3.36Å; Q355-L359 PolarHBondContact O-N 2.83Å
356	L	98.8	Very high	98.4	Very high	5 Å²	5	47.7 Å²	47.7	3%	0.026	24%	0.238	C	C	.	.	H	α-helix	trans	-64.1	-41	172.9	179.8	57.8	0	0	0	112.1	Y297 S352 L354 L359 I360 A365 M369 I370 L373	Y297-L356 HydrophobicContact CD2-CD2 3.87Å; Y297-L356 HydrophobicContact CD2-CG 3.96Å; Y297-L356 HydrophobicContact CE2-CB 4.46Å; Y297-L356 HydrophobicContact CE2-CD2 4.41Å; Y297-L356 HydrophobicContact CE2-CG 4.13Å; S352-L356 PolarHBondContact O-N 3.05Å; L354-L356 VanDerWaalsContact C-N 3.26Å; L354-L356 PolarHBondContact O-N 2.8Å; L356-L359 PolarHBondContact O-N 3.48Å; L356-I360 HydrophobicContact CD1-CD1 4.3Å; L356-I360 HydrophobicContact CD1-CG1 4.28Å; L356-I360 HydrophobicContact CG-CD1 4.09Å; L356-I360 VanDerWaalsContact O-CG1 3.31Å; L356-I360 WeakPolarHBondContact O-CG1 3.23Å; L356-I360 PolarHBondContact O-N 2.98Å; L356-A365 HydrophobicContact CD1-CB 3.86Å; L356-M369 HydrophobicContact CD1-CB 3.73Å; L356-M369 HydrophobicContact CD1-SD 4.41Å; L356-I370 HydrophobicContact CD1-CG1 4.23Å; L356-I370 HydrophobicContact CD2-CG1 4.03Å; L356-L373 HydrophobicContact CB-CD1 3.71Å; L356-L373 HydrophobicContact CD2-CB 4.24Å; L356-L373 HydrophobicContact CD2-CD1 3.7Å; L356-L373 HydrophobicContact CD2-CG 4.12Å; L356-L373 HydrophobicContact CG-CD1 4.35Å
357	G	98.6	Very high	98.3	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-57.9	-52.4	175.3	0	0	0	0	0	112.2	Y297 C353 L354 L359 I360 D361	Y297-G357 VanDerWaalsContact OH-CA 3.23Å; Y297-G357 WeakPolarHBondContact OH-CA 3.32Å; C353-G357 PolarHBondContact O-N 3.04Å; L354-G357 WeakPolarHBondContact O-CA 3.17Å; L354-G357 PolarHBondContact O-N 2.89Å; G357-L359 VanDerWaalsContact C-N 3.3Å; G357-L359 PolarHBondContact O-N 3.25Å; G357-I360 PolarHBondContact O-N 3.43Å; G357-D361 PolarHBondContact O-N 2.9Å
358	R	98.6	Very high	98.3	Very high	59 Å²	59	52.3 Å²	52.3	22%	0.223	26%	0.263	C	S	.	.	H	α-helix	trans	-56	-43.1	175	-59.1	-63.3	-178.9	-140.6	-0.9	111.7	Q61 E66 V123 L354 I360 D361 E362	Q61-R358 PolarHBondContact O-NH2 3.13Å; E66-R358 VanDerWaalsContact CD-NH1 3.34Å; E66-R358 IonicContact OE1-CZ 3.28Å; E66-R358 IonicContact OE1-NH1 2.83Å; E66-R358 PolarHBondContact OE1-NH1 2.7Å; E66-R358 IonicContact OE1-NH2 3.77Å; E66-R358 IonicContact OE2-CZ 2.87Å; E66-R358 IonicContact OE2-NH1 2.94Å; E66-R358 PolarHBondContact OE2-NH1 3.22Å; E66-R358 VanDerWaalsContact OE2-NH1 3.15Å; E66-R358 IonicContact OE2-NH2 3.21Å; E66-R358 PolarHBondContact OE2-NH2 3.49Å; V123-R358 HydrophobicContact CG2-CG 4.35Å; L354-R358 PolarHBondContact O-N 2.81Å; R358-I360 VanDerWaalsContact C-N 3.33Å; R358-I360 PolarHBondContact O-N 3.3Å; R358-D361 PolarHBondContact O-N 3.04Å; R358-E362 WeakPolarHBondContact O-CB 3.41Å; R358-E362 WeakPolarHBondContact O-CG 3.34Å; R358-E362 PolarHBondContact O-N 3.36Å
359	L	98.7	Very high	98.3	Very high	34 Å²	34	51.5 Å²	51.5	18%	0.178	26%	0.258	C	S	.	.	H	α-helix	trans	-66.1	-28.5	175.8	-71.8	169.7	0	0	0	113.9	Q355 L356 G357 K363 K364 A365 M369	Q355-L359 HydrophobicContact CG-CD1 4.16Å; Q355-L359 WeakPolarHBondContact O-CB 3.45Å; Q355-L359 VanDerWaalsContact O-CG 3.25Å; Q355-L359 WeakPolarHBondContact O-CG 3.36Å; Q355-L359 PolarHBondContact O-N 2.83Å; L356-L359 PolarHBondContact O-N 3.48Å; G357-L359 VanDerWaalsContact C-N 3.3Å; G357-L359 PolarHBondContact O-N 3.25Å; L359-K363 PolarHBondContact O-N 3Å; L359-K364 HydrophobicContact CD2-CB 3.76Å; L359-K364 HydrophobicContact CD2-CD 4.26Å; L359-K364 CarbonylContact O-C 3.55Å; L359-K364 WeakPolarHBondContact O-CA 3.21Å; L359-K364 PolarHBondContact O-N 2.59Å; L359-A365 HydrophobicContact CB-CB 4.08Å; L359-A365 PolarHBondContact O-N 2.73Å; L359-M369 HydrophobicContact CD1-SD 4.04Å
360	I	98	Very high	98.3	Very high	29 Å²	29	52.1 Å²	52.1	15%	0.149	26%	0.262	C	S	.	.	H	α-helix	trans	-73.8	-46	173.2	-64.5	162.6	0	0	0	110.1	Y122 Y297 L356 G357 R358 E362 K363 A365	Y122-I360 HydrophobicContact CD1-CB 4.4Å; Y122-I360 HydrophobicContact CD1-CD1 4.31Å; Y122-I360 HydrophobicContact CD1-CG2 3.66Å; Y122-I360 HydrophobicContact CD2-CB 4.39Å; Y122-I360 HydrophobicContact CD2-CG2 3.55Å; Y122-I360 HydrophobicContact CE1-CG2 3.8Å; Y122-I360 HydrophobicContact CE2-CG2 3.7Å; Y122-I360 HydrophobicContact CG-CB 4.1Å; Y122-I360 HydrophobicContact CG-CG2 3.53Å; Y297-I360 HydrophobicContact CD1-CD1 4.29Å; Y297-I360 HydrophobicContact CD2-CD1 3.37Å; Y297-I360 HydrophobicContact CE2-CD1 3.7Å; Y297-I360 HydrophobicContact CG-CD1 3.7Å; L356-I360 HydrophobicContact CD1-CD1 4.3Å; L356-I360 HydrophobicContact CD1-CG1 4.28Å; L356-I360 HydrophobicContact CG-CD1 4.09Å; L356-I360 VanDerWaalsContact O-CG1 3.31Å; L356-I360 WeakPolarHBondContact O-CG1 3.23Å; L356-I360 PolarHBondContact O-N 2.98Å; G357-I360 PolarHBondContact O-N 3.43Å; R358-I360 VanDerWaalsContact C-N 3.33Å; R358-I360 PolarHBondContact O-N 3.3Å; I360-E362 VanDerWaalsContact C-N 3.27Å; I360-E362 PolarHBondContact O-N 2.9Å; I360-K363 WeakPolarHBondContact O-CA 3.34Å; I360-K363 PolarHBondContact O-N 2.89Å; I360-A365 HydrophobicContact CB-CB 4.27Å; I360-A365 HydrophobicContact CG1-CB 3.43Å; I360-A365 VanDerWaalsContact CG1-CB 3.43Å
361	D	96.6	Very high	98.2	Very high	63 Å²	63	51.8 Å²	51.8	34%	0.337	26%	0.26	S	S	.	.	H	α-helix	trans	-58.1	-40.2	175.6	-71	-52.2	0	0	0	111.4	Y122 G357 R358 K363	Y122-D361 WeakPolarHBondContact CD2-OD1 3.41Å; Y122-D361 PolarHBondContact N-OD1 3.41Å; Y122-D361 PolarHBondContact N-OD2 2.82Å; G357-D361 PolarHBondContact O-N 2.9Å; R358-D361 PolarHBondContact O-N 3.04Å; D361-K363 VanDerWaalsContact C-N 3.27Å; D361-K363 PolarHBondContact O-N 3.38Å
362	E	97.8	Very high	98.2	Very high	101 Å²	101	54.3 Å²	54.3	47%	0.472	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-4	173.7	-71.2	-179.1	-139.2	0	0	114.9	R358 I360 K364	R358-E362 WeakPolarHBondContact O-CB 3.41Å; R358-E362 WeakPolarHBondContact O-CG 3.34Å; R358-E362 PolarHBondContact O-N 3.36Å; I360-E362 VanDerWaalsContact C-N 3.27Å; I360-E362 PolarHBondContact O-N 2.9Å; E362-K364 VanDerWaalsContact C-N 3.27Å; E362-K364 HydrophobicContact CB-CD 4.07Å; E362-K364 HydrophobicContact CB-CG 4.17Å; E362-K364 PolarHBondContact O-N 2.95Å; E362-K364 WeakPolarHBondContact OE2-CD 3.47Å; E362-K364 VanDerWaalsContact OE2-CE 3.23Å; E362-K364 WeakPolarHBondContact OE2-CE 3.14Å; E362-K364 IonicContact OE2-NZ 3.55Å; E362-K364 PolarHBondContact OE2-NZ 3.08Å
363	K	96.9	Very high	98.2	Very high	194 Å²	194	52.9 Å²	52.9	84%	0.843	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	28.7	-175.4	-52.3	175.4	-178.9	172.6	0	114.9	L359 I360 D361	L359-K363 PolarHBondContact O-N 3Å; I360-K363 WeakPolarHBondContact O-CA 3.34Å; I360-K363 PolarHBondContact O-N 2.89Å; D361-K363 VanDerWaalsContact C-N 3.27Å; D361-K363 PolarHBondContact O-N 3.38Å
364	K	98.1	Very high	98.2	Very high	131 Å²	131	53 Å²	53	57%	0.57	26%	0.262	S	S	*	.			trans	-103.7	-9	178.7	-65.2	174.8	-172	169.3	0	113.8	L359 E362	L359-K364 HydrophobicContact CD2-CB 3.76Å; L359-K364 HydrophobicContact CD2-CD 4.26Å; L359-K364 CarbonylContact O-C 3.55Å; L359-K364 WeakPolarHBondContact O-CA 3.21Å; L359-K364 PolarHBondContact O-N 2.59Å; E362-K364 VanDerWaalsContact C-N 3.27Å; E362-K364 HydrophobicContact CB-CD 4.07Å; E362-K364 HydrophobicContact CB-CG 4.17Å; E362-K364 PolarHBondContact O-N 2.95Å; E362-K364 WeakPolarHBondContact OE2-CD 3.47Å; E362-K364 VanDerWaalsContact OE2-CE 3.23Å; E362-K364 WeakPolarHBondContact OE2-CE 3.14Å; E362-K364 IonicContact OE2-NZ 3.55Å; E362-K364 PolarHBondContact OE2-NZ 3.08Å
365	A	97.7	Very high	98.2	Very high	31 Å²	31	56 Å²	56	26%	0.256	27%	0.273	S	S	.	.			trans	-72.2	135.7	-178.9	0	0	0	0	0	113.3	L356 L359 I360 M369	L356-A365 HydrophobicContact CD1-CB 3.86Å; L359-A365 HydrophobicContact CB-CB 4.08Å; L359-A365 PolarHBondContact O-N 2.73Å; I360-A365 HydrophobicContact CB-CB 4.27Å; I360-A365 HydrophobicContact CG1-CB 3.43Å; I360-A365 VanDerWaalsContact CG1-CB 3.43Å; A365-M369 HydrophobicContact CB-SD 4.42Å
366	A	97.6	Very high	98.2	Very high	30 Å²	30	53 Å²	53	25%	0.248	26%	0.26	C	S	.	.			trans	-103.1	151.9	173.7	0	0	0	0	0	112	E368 M369 I370	A366-E368 PolarHBondContact O-N 3.14Å; A366-E368 VanDerWaalsContact O-N 3.11Å; A366-M369 HydrophobicContact CB-CE 4.12Å; A366-M369 HydrophobicContact CB-CG 4.22Å; A366-M369 HydrophobicContact CB-SD 4.5Å; A366-M369 PolarHBondContact N-SD 2.8Å; A366-M369 WeakPolarHBondContact O-CB 3.26Å; A366-M369 PolarHBondContact O-N 2.58Å; A366-I370 PolarHBondContact O-N 3.38Å
367	P	97.6	Very high	98.2	Very high	59 Å²	59	52.8 Å²	52.8	38%	0.383	26%	0.259	S	S	.	.	H	α-helix	trans	-53.9	-28.6	175.9	-28	36.7	0	0	0	114.9	I370 S371	P367-I370 PolarHBondContact O-N 3.11Å; P367-S371 WeakPolarHBondContact O-CB 3.37Å; P367-S371 PolarHBondContact O-N 2.85Å; P367-S371 PolarHBondContact O-OG 3.02Å
368	E	98.4	Very high	98.3	Very high	61 Å²	61	52.8 Å²	52.8	29%	0.285	26%	0.259	S	S	.	.	H	α-helix	trans	-65.3	-39.2	175.9	-70.1	61.5	-140.9	0	0	111.2	A366 S371 M372 I426 L427 A430	A366-E368 PolarHBondContact O-N 3.14Å; A366-E368 VanDerWaalsContact O-N 3.11Å; E368-S371 WeakPolarHBondContact O-CB 3.37Å; E368-S371 PolarHBondContact O-N 2.87Å; E368-M372 PolarHBondContact O-N 2.53Å; E368-I426 HydrophobicContact CG-CG2 4.46Å; E368-L427 HydrophobicContact CB-CD2 4.4Å; E368-L427 WeakPolarHBondContact O-CD2 3.21Å; E368-A430 HydrophobicContact CG-CB 3.6Å
369	M	98.7	Very high	98.3	Very high	66 Å²	66	50.5 Å²	50.5	33%	0.325	25%	0.254	S	S	.	.	H	α-helix	trans	-65.6	-42.9	176.9	-52.2	178.5	-175.7	0	0	110.9	L356 L359 A365 A366 S371 M372 L373	L356-M369 HydrophobicContact CD1-CB 3.73Å; L356-M369 HydrophobicContact CD1-SD 4.41Å; L359-M369 HydrophobicContact CD1-SD 4.04Å; A365-M369 HydrophobicContact CB-SD 4.42Å; A366-M369 HydrophobicContact CB-CE 4.12Å; A366-M369 HydrophobicContact CB-CG 4.22Å; A366-M369 HydrophobicContact CB-SD 4.5Å; A366-M369 PolarHBondContact N-SD 2.8Å; A366-M369 WeakPolarHBondContact O-CB 3.26Å; A366-M369 PolarHBondContact O-N 2.58Å; M369-S371 VanDerWaalsContact C-N 3.32Å; M369-S371 PolarHBondContact O-N 3.5Å; M369-M372 PolarHBondContact O-N 2.82Å; M369-L373 PolarHBondContact O-N 2.85Å; M369-L373 VanDerWaalsContact O-N 3.09Å
370	I	98.6	Very high	98.3	Very high	15 Å²	15	52 Å²	52	8%	0.077	26%	0.259	C	S	.	.	H	α-helix	trans	-63	-41.3	174.7	-60.2	169.6	0	0	0	110.2	N293 R296 L356 A366 P367 L373 K374	N293-I370 HydrophobicContact CB-CD1 3.9Å; R296-I370 HydrophobicContact CB-CG2 3.55Å; L356-I370 HydrophobicContact CD1-CG1 4.23Å; L356-I370 HydrophobicContact CD2-CG1 4.03Å; A366-I370 PolarHBondContact O-N 3.38Å; P367-I370 PolarHBondContact O-N 3.11Å; I370-L373 PolarHBondContact O-N 2.95Å; I370-K374 WeakPolarHBondContact O-CB 3.33Å; I370-K374 PolarHBondContact O-N 2.92Å
371	S	98.6	Very high	98.3	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.014	25%	0.252	C	S	.	.	H	α-helix	trans	-62.9	-41.5	176.2	-66.3	0	0	0	0	112.7	P367 E368 M369 R375 H423	P367-S371 WeakPolarHBondContact O-CB 3.37Å; P367-S371 PolarHBondContact O-N 2.85Å; P367-S371 PolarHBondContact O-OG 3.02Å; E368-S371 WeakPolarHBondContact O-CB 3.37Å; E368-S371 PolarHBondContact O-N 2.87Å; M369-S371 VanDerWaalsContact C-N 3.32Å; M369-S371 PolarHBondContact O-N 3.5Å; S371-R375 WeakPolarHBondContact O-CB 3.43Å; S371-R375 PolarHBondContact O-N 3.49Å; S371-R375 VanDerWaalsContact O-N 3.12Å; S371-H423 WeakPolarHBondContact CA-ND1 3.35Å; S371-H423 WeakPolarHBondContact CB-ND1 3.48Å; S371-H423 PolarHBondContact OG-ND1 2.88Å; S371-H423 VanDerWaalsContact OG-ND1 3.11Å
372	M	98.8	Very high	98.4	Very high	101 Å²	101	47.7 Å²	47.7	50%	0.498	24%	0.236	S	C	.	.	H	α-helix	trans	-60.4	-49.4	175.6	-174.6	175.4	69.1	0	0	111.8	E368 M369 N376 L427	E368-M372 PolarHBondContact O-N 2.53Å; M369-M372 PolarHBondContact O-N 2.82Å; M372-N376 WeakPolarHBondContact O-CB 3.45Å; M372-N376 PolarHBondContact O-N 3.32Å; M372-L427 HydrophobicContact CB-CD1 4.21Å; M372-L427 HydrophobicContact CB-CD2 4.09Å
373	L	98.8	Very high	98.5	Very high	11 Å²	11	46.9 Å²	46.9	6%	0.058	24%	0.235	C	C	.	.	H	α-helix	trans	-78.1	-36.6	-175.4	-57.9	-162.7	0	0	0	113.3	A300 S352 L356 M369 I370 R375 N376 S377	A300-L373 HydrophobicContact CB-CB 4.09Å; S352-L373 WeakPolarHBondContact O-CD1 3.33Å; L356-L373 HydrophobicContact CB-CD1 3.71Å; L356-L373 HydrophobicContact CD2-CB 4.24Å; L356-L373 HydrophobicContact CD2-CD1 3.7Å; L356-L373 HydrophobicContact CD2-CG 4.12Å; L356-L373 HydrophobicContact CG-CD1 4.35Å; M369-L373 PolarHBondContact O-N 2.85Å; M369-L373 VanDerWaalsContact O-N 3.09Å; I370-L373 PolarHBondContact O-N 2.95Å; L373-R375 VanDerWaalsContact C-N 3.33Å; L373-R375 PolarHBondContact O-N 2.88Å; L373-N376 PolarHBondContact O-N 2.84Å; L373-S377 WeakPolarHBondContact O-CB 3.37Å; L373-S377 PolarHBondContact O-N 2.85Å; L373-S377 PolarHBondContact O-OG 3.25Å
374	K	98.7	Very high	98.6	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.009	20%	0.197	C	C	.	.	H	α-helix	trans	-57.7	-49.2	171.4	-167.4	-79.6	-168.2	-174.5	0	110	R296 I299 I370 C378 V413 Y416 G418	R296-K374 HydrophobicContact CB-CB 4.28Å; R296-K374 HydrophobicContact CB-CG 4.05Å; R296-K374 HydrophobicContact CG-CG 4.13Å; I299-K374 HydrophobicContact CG2-CG 4.35Å; I370-K374 WeakPolarHBondContact O-CB 3.33Å; I370-K374 PolarHBondContact O-N 2.92Å; K374-C378 VanDerWaalsContact O-CB 3.27Å; K374-C378 WeakPolarHBondContact O-CB 3.17Å; K374-C378 PolarHBondContact O-N 3.27Å; K374-C378 VanDerWaalsContact O-N 3.11Å; K374-C378 PolarHBondContact O-SG 3Å; K374-V413 PolarHBondContact NZ-O 3.14Å; K374-Y416 WeakPolarHBondContact CE-O 3.15Å; K374-Y416 PolarHBondContact NZ-O 3.12Å; K374-G418 PolarHBondContact NZ-O 3.24Å
375	R	98.8	Very high	98.6	Very high	76 Å²	76	31.9 Å²	31.9	29%	0.287	17%	0.17	S	C	.	.	H	α-helix	trans	-58.5	-49.6	177.2	-176.6	-177.4	176.6	-86	4.3	112	S371 L373 G379 H420 H423	S371-R375 WeakPolarHBondContact O-CB 3.43Å; S371-R375 PolarHBondContact O-N 3.49Å; S371-R375 VanDerWaalsContact O-N 3.12Å; L373-R375 VanDerWaalsContact C-N 3.33Å; L373-R375 PolarHBondContact O-N 2.88Å; R375-G379 PolarHBondContact O-N 3.49Å; R375-H420 VanDerWaalsContact CD-O 3.23Å; R375-H420 WeakPolarHBondContact CD-O 3.5Å; R375-H420 VanDerWaalsContact CG-CD2 3.41Å; R375-H420 WeakPolarHBondContact CG-CD2 3.46Å; R375-H420 VanDerWaalsContact CZ-CE1 3.46Å; R375-H420 VanDerWaalsContact CZ-NE2 3.32Å; R375-H420 PolarHBondContact NE-NE2 2.94Å; R375-H420 PolarHBondContact NE-O 2.75Å; R375-H420 VanDerWaalsContact NE-O 3.12Å; R375-H420 PolarHBondContact NH2-CE1 3.37Å; R375-H420 PolarHBondContact NH2-NE2 3.45Å; R375-H423 HydrophobicContact CB-CB 3.87Å; R375-H423 HydrophobicContact CG-CB 4.29Å
376	N	98.9	Very high	98.7	Very high	43 Å²	43	34.6 Å²	34.6	23%	0.23	17%	0.174	C	C	.	.	H	α-helix	trans	-65.7	-57.5	-177.5	-170.8	74.4	0	0	0	111.8	M372 L373 C378 G379 K380	M372-N376 WeakPolarHBondContact O-CB 3.45Å; M372-N376 PolarHBondContact O-N 3.32Å; L373-N376 PolarHBondContact O-N 2.84Å; N376-C378 VanDerWaalsContact C-N 3.33Å; N376-C378 PolarHBondContact O-N 3.31Å; N376-G379 PolarHBondContact O-N 2.92Å; N376-K380 WeakPolarHBondContact O-CB 3.28Å; N376-K380 VanDerWaalsContact O-CG 3.23Å; N376-K380 WeakPolarHBondContact O-CG 3.44Å; N376-K380 PolarHBondContact O-N 3.2Å
377	S	98.9	Very high	98.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-60.2	-40.5	-176	-61.2	0	0	0	0	112.4	A300 S303 L373 A381	A300-S377 WeakPolarHBondContact O-CB 3.47Å; A300-S377 PolarHBondContact O-OG 2.96Å; S303-S377 VanDerWaalsContact OG-CB 3.24Å; S303-S377 WeakPolarHBondContact OG-CB 3.42Å; L373-S377 WeakPolarHBondContact O-CB 3.37Å; L373-S377 PolarHBondContact O-N 2.85Å; L373-S377 PolarHBondContact O-OG 3.25Å; S377-A381 WeakPolarHBondContact O-CB 3.48Å; S377-A381 PolarHBondContact O-N 3.35Å
378	C	98.9	Very high	98.8	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-65.4	-47.7	178.1	-62.6	0	0	0	0	112.3	I299 K374 N376 L382 N414	I299-C378 VanDerWaalsContact CG2-SG 3.57Å; K374-C378 VanDerWaalsContact O-CB 3.27Å; K374-C378 WeakPolarHBondContact O-CB 3.17Å; K374-C378 PolarHBondContact O-N 3.27Å; K374-C378 VanDerWaalsContact O-N 3.11Å; K374-C378 PolarHBondContact O-SG 3Å; N376-C378 VanDerWaalsContact C-N 3.33Å; N376-C378 PolarHBondContact O-N 3.31Å; C378-L382 VanDerWaalsContact O-CB 3.31Å; C378-L382 WeakPolarHBondContact O-CB 3.31Å; C378-L382 PolarHBondContact O-N 3.39Å; C378-N414 HydrophobicContact CB-CB 4.3Å
379	G	98.8	Very high	98.8	Very high	11 Å²	11	34.7 Å²	34.7	11%	0.113	16%	0.161	C	C	.	.	H	α-helix	trans	-64.5	-48.4	-180	0	0	0	0	0	112.1	R375 N376 L382 D383	R375-G379 PolarHBondContact O-N 3.49Å; N376-G379 PolarHBondContact O-N 2.92Å; G379-L382 PolarHBondContact O-N 3.11Å; G379-D383 PolarHBondContact O-N 3.46Å
380	K	98.9	Very high	98.8	Very high	66 Å²	66	35.1 Å²	35.1	29%	0.287	17%	0.165	S	C	.	.	H	α-helix	trans	-64.3	-42.5	178.8	-62.2	-63.3	-174.6	155.9	0	112.1	E345 N376 L382 D383 I384	E345-K380 HydrophobicContact CB-CB 4.45Å; E345-K380 HydrophobicContact CB-CD 4.47Å; E345-K380 HydrophobicContact CG-CD 4.18Å; E345-K380 IonicContact OE1-NZ 2.93Å; E345-K380 PolarHBondContact OE1-NZ 3.33Å; E345-K380 WeakPolarHBondContact OE2-CD 3.33Å; E345-K380 WeakPolarHBondContact OE2-CE 3.42Å; E345-K380 IonicContact OE2-NZ 3.19Å; E345-K380 PolarHBondContact OE2-NZ 2.82Å; N376-K380 WeakPolarHBondContact O-CB 3.28Å; N376-K380 VanDerWaalsContact O-CG 3.23Å; N376-K380 WeakPolarHBondContact O-CG 3.44Å; N376-K380 PolarHBondContact O-N 3.2Å; K380-L382 VanDerWaalsContact C-N 3.33Å; K380-L382 PolarHBondContact O-N 3.37Å; K380-D383 PolarHBondContact O-N 2.93Å; K380-I384 WeakPolarHBondContact O-CB 3.44Å; K380-I384 WeakPolarHBondContact O-CD1 3.38Å; K380-I384 WeakPolarHBondContact O-CG1 3.09Å; K380-I384 PolarHBondContact O-N 2.82Å
381	A	98.9	Very high	98.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.3	-41.6	175.9	0	0	0	0	0	112.2	S303 A307 S377 I384 A385 L410	S303-A381 WeakPolarHBondContact O-CB 3.29Å; A307-A381 HydrophobicContact CB-CB 3.87Å; S377-A381 WeakPolarHBondContact O-CB 3.48Å; S377-A381 PolarHBondContact O-N 3.35Å; A381-I384 PolarHBondContact O-N 3.47Å; A381-A385 WeakPolarHBondContact O-CB 3.4Å; A381-A385 PolarHBondContact O-N 3.42Å; A381-L410 HydrophobicContact CB-CD1 4.05Å; A381-L410 HydrophobicContact CB-CD2 4.03Å
382	L	98.9	Very high	98.8	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.01	16%	0.163	C	C	.	.	H	α-helix	trans	-64.2	-45	177.8	178.1	54.8	0	0	0	111.8	C378 G379 K380 A385 R386 L410 E411 N414	C378-L382 VanDerWaalsContact O-CB 3.31Å; C378-L382 WeakPolarHBondContact O-CB 3.31Å; C378-L382 PolarHBondContact O-N 3.39Å; G379-L382 PolarHBondContact O-N 3.11Å; K380-L382 VanDerWaalsContact C-N 3.33Å; K380-L382 PolarHBondContact O-N 3.37Å; L382-A385 PolarHBondContact O-N 3.45Å; L382-R386 HydrophobicContact CD1-CG 4.33Å; L382-R386 WeakPolarHBondContact O-CB 3.42Å; L382-R386 WeakPolarHBondContact O-CD 3.23Å; L382-R386 VanDerWaalsContact O-CG 3.24Å; L382-R386 WeakPolarHBondContact O-CG 3.44Å; L382-R386 PolarHBondContact O-N 2.84Å; L382-L410 HydrophobicContact CB-CB 4.12Å; L382-L410 HydrophobicContact CD1-CB 3.82Å; L382-E411 HydrophobicContact CD1-CG 4.14Å; L382-N414 HydrophobicContact CD2-CB 4.04Å
383	D	98.9	Very high	98.7	Very high	84 Å²	84	31.9 Å²	31.9	45%	0.449	16%	0.159	S	C	.	.	H	α-helix	trans	-65.6	-39.8	175.8	-72.2	-22.4	0	0	0	112.1	G379 K380 R386 Q387	G379-D383 PolarHBondContact O-N 3.46Å; K380-D383 PolarHBondContact O-N 2.93Å; D383-R386 PolarHBondContact O-N 2.79Å; D383-R386 IonicContact OD1-NH1 2.79Å; D383-R386 PolarHBondContact OD1-NH1 3.28Å; D383-Q387 WeakPolarHBondContact O-CB 3.44Å; D383-Q387 VanDerWaalsContact O-CG 3.29Å; D383-Q387 WeakPolarHBondContact O-CG 3.25Å; D383-Q387 PolarHBondContact O-N 2.99Å
384	I	98.9	Very high	98.7	Very high	9 Å²	9	34.5 Å²	34.5	5%	0.046	19%	0.188	C	C	.	.	H	α-helix	trans	-59.3	-47.9	172.5	-73.2	166.7	0	0	0	111.1	A307 C310 M342 E345 I346 K380 A381 R386 Q387 A388	A307-I384 HydrophobicContact CB-CB 4.37Å; A307-I384 HydrophobicContact CB-CD1 4.02Å; A307-I384 HydrophobicContact CB-CG2 4.03Å; C310-I384 HydrophobicContact CB-CG2 4.3Å; M342-I384 HydrophobicContact CB-CG1 4.4Å; M342-I384 HydrophobicContact CB-CG2 4.47Å; M342-I384 HydrophobicContact CG-CB 4.4Å; M342-I384 HydrophobicContact CG-CG1 4.05Å; M342-I384 HydrophobicContact CG-CG2 3.93Å; M342-I384 HydrophobicContact SD-CG2 4.42Å; E345-I384 HydrophobicContact CB-CD1 4.17Å; I346-I384 HydrophobicContact CD1-CD1 4.22Å; I346-I384 HydrophobicContact CG1-CD1 3.8Å; K380-I384 WeakPolarHBondContact O-CB 3.44Å; K380-I384 WeakPolarHBondContact O-CD1 3.38Å; K380-I384 WeakPolarHBondContact O-CG1 3.09Å; K380-I384 PolarHBondContact O-N 2.82Å; A381-I384 PolarHBondContact O-N 3.47Å; I384-R386 VanDerWaalsContact C-N 3.35Å; I384-R386 PolarHBondContact O-N 3.18Å; I384-Q387 PolarHBondContact O-N 3.28Å; I384-A388 WeakPolarHBondContact O-CB 3.45Å; I384-A388 PolarHBondContact O-N 2.93Å
385	A	98.9	Very high	98.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-61.7	-43.2	178.4	0	0	0	0	0	111.3	C310 A381 L382 A388 R389 V407 L410	C310-A385 HydrophobicContact CB-CB 4.41Å; A381-A385 WeakPolarHBondContact O-CB 3.4Å; A381-A385 PolarHBondContact O-N 3.42Å; L382-A385 PolarHBondContact O-N 3.45Å; A385-A388 PolarHBondContact O-N 3.36Å; A385-R389 WeakPolarHBondContact O-CB 3.19Å; A385-R389 PolarHBondContact O-N 3.31Å; A385-V407 HydrophobicContact CB-CB 4.45Å; A385-V407 HydrophobicContact CB-CG2 3.64Å; A385-V407 VanDerWaalsContact O-CG2 3.26Å; A385-V407 WeakPolarHBondContact O-CG2 3.27Å; A385-L410 HydrophobicContact CB-CD1 3.78Å
386	R	98.9	Very high	98.6	Very high	88 Å²	88	33.5 Å²	33.5	33%	0.332	19%	0.189	S	C	.	.	H	α-helix	trans	-61.9	-45.2	175.6	-71.8	163.4	172.3	175.6	-6.3	111.6	L382 D383 I384 A388 R389 D390 V407 E411	L382-R386 HydrophobicContact CD1-CG 4.33Å; L382-R386 WeakPolarHBondContact O-CB 3.42Å; L382-R386 WeakPolarHBondContact O-CD 3.23Å; L382-R386 VanDerWaalsContact O-CG 3.24Å; L382-R386 WeakPolarHBondContact O-CG 3.44Å; L382-R386 PolarHBondContact O-N 2.84Å; D383-R386 PolarHBondContact O-N 2.79Å; D383-R386 IonicContact OD1-NH1 2.79Å; D383-R386 PolarHBondContact OD1-NH1 3.28Å; I384-R386 VanDerWaalsContact C-N 3.35Å; I384-R386 PolarHBondContact O-N 3.18Å; R386-A388 PolarHBondContact O-N 3.42Å; R386-R389 VanDerWaalsContact O-CB 3.3Å; R386-R389 WeakPolarHBondContact O-CB 3.32Å; R386-R389 PolarHBondContact O-N 2.99Å; R386-D390 PolarHBondContact O-N 3.12Å; R386-D390 VanDerWaalsContact O-N 3.07Å; R386-V407 HydrophobicContact CG-CG1 4.06Å; R386-E411 IonicContact CZ-OE1 3.73Å; R386-E411 IonicContact CZ-OE2 2.7Å; R386-E411 IonicContact NE-OE1 2.82Å; R386-E411 PolarHBondContact NE-OE1 2.83Å; R386-E411 VanDerWaalsContact NE-OE1 3.09Å; R386-E411 IonicContact NH2-OE1 3.87Å; R386-E411 PolarHBondContact NH2-OE1 3.33Å; R386-E411 IonicContact NH2-OE2 3.39Å; R386-E411 PolarHBondContact NH2-OE2 3.15Å
387	Q	98.9	Very high	98.5	Very high	78 Å²	78	37.1 Å²	37.1	36%	0.364	21%	0.207	S	C	.	.	H	α-helix	trans	-63.7	-39.3	176.5	-70.8	-58.5	-33.4	0	0	112.4	M342 D383 I384 D390 M391	M342-Q387 HydrophobicContact CE-CB 3.63Å; D383-Q387 WeakPolarHBondContact O-CB 3.44Å; D383-Q387 VanDerWaalsContact O-CG 3.29Å; D383-Q387 WeakPolarHBondContact O-CG 3.25Å; D383-Q387 PolarHBondContact O-N 2.99Å; I384-Q387 PolarHBondContact O-N 3.28Å; Q387-D390 PolarHBondContact O-N 3.22Å; Q387-M391 VanDerWaalsContact O-CG 3.27Å; Q387-M391 WeakPolarHBondContact O-CG 3.44Å; Q387-M391 PolarHBondContact O-N 3Å
388	A	98.8	Very high	98.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63.3	-41.1	173	0	0	0	0	0	111.6	C310 A314 M342 I384 A385 R386 D390 M391 L392 V403	C310-A388 HydrophobicContact CB-CB 3.85Å; A314-A388 HydrophobicContact CB-CB 3.87Å; M342-A388 HydrophobicContact CE-CB 3.99Å; I384-A388 WeakPolarHBondContact O-CB 3.45Å; I384-A388 PolarHBondContact O-N 2.93Å; A385-A388 PolarHBondContact O-N 3.36Å; R386-A388 PolarHBondContact O-N 3.42Å; A388-D390 VanDerWaalsContact C-N 3.31Å; A388-D390 PolarHBondContact O-N 3.37Å; A388-M391 WeakPolarHBondContact O-CB 3.42Å; A388-M391 PolarHBondContact O-N 2.94Å; A388-M391 VanDerWaalsContact O-N 3.07Å; A388-L392 WeakPolarHBondContact O-CD1 3.18Å; A388-L392 PolarHBondContact O-N 3.2Å; A388-L392 VanDerWaalsContact O-N 3.16Å; A388-V403 HydrophobicContact CB-CG1 3.73Å
389	R	98.8	Very high	98.5	Very high	75 Å²	75	40 Å²	40	28%	0.283	23%	0.226	S	C	.	.	H	α-helix	trans	-58.2	-42.7	176	-152.9	-82.3	-73.8	119.3	11.3	111.5	A385 R386 G396 V403 I404 V407	A385-R389 WeakPolarHBondContact O-CB 3.19Å; A385-R389 PolarHBondContact O-N 3.31Å; R386-R389 VanDerWaalsContact O-CB 3.3Å; R386-R389 WeakPolarHBondContact O-CB 3.32Å; R386-R389 PolarHBondContact O-N 2.99Å; R389-G396 VanDerWaalsContact CD-O 3.29Å; R389-G396 WeakPolarHBondContact CD-O 3.42Å; R389-G396 WeakPolarHBondContact CG-O 3.49Å; R389-V403 HydrophobicContact CB-CG1 4.1Å; R389-I404 HydrophobicContact CG-CD1 4.02Å; R389-V407 HydrophobicContact CB-CG2 3.96Å; R389-V407 HydrophobicContact CG-CG2 4.15Å
390	D	98.6	Very high	98.4	Very high	75 Å²	75	44.2 Å²	44.2	40%	0.401	24%	0.243	S	C	.	.	H	α-helix	trans	-67	-37.7	173.7	-69.6	-23.3	0	0	0	112.8	R386 Q387 A388 L392 G393	R386-D390 PolarHBondContact O-N 3.12Å; R386-D390 VanDerWaalsContact O-N 3.07Å; Q387-D390 PolarHBondContact O-N 3.22Å; A388-D390 VanDerWaalsContact C-N 3.31Å; A388-D390 PolarHBondContact O-N 3.37Å; D390-L392 VanDerWaalsContact C-N 3.26Å; D390-L392 PolarHBondContact O-N 2.93Å; D390-G393 PolarHBondContact O-N 3.34Å; D390-G393 VanDerWaalsContact O-N 3.13Å
391	M	98.6	Very high	98.3	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.015	25%	0.248	C	C	.	.	H	α-helix	trans	-65.3	-26.8	179.7	-72.2	171	70	0	0	113.4	A314 T318 M335 K338 M339 M342 Q387 A388	A314-M391 HydrophobicContact CB-CB 4.3Å; A314-M391 HydrophobicContact CB-CE 4.02Å; A314-M391 HydrophobicContact CB-SD 4.09Å; T318-M391 HydrophobicContact CG2-CB 4.48Å; T318-M391 HydrophobicContact CG2-CE 4.25Å; M335-M391 HydrophobicContact SD-CB 4.31Å; M335-M391 HydrophobicContact SD-CE 4.08Å; M335-M391 HydrophobicContact SD-CG 3.78Å; K338-M391 HydrophobicContact CB-CE 4.43Å; K338-M391 HydrophobicContact CB-SD 3.68Å; K338-M391 HydrophobicContact CD-CG 3.54Å; K338-M391 HydrophobicContact CD-SD 3.65Å; K338-M391 HydrophobicContact CG-SD 4.33Å; M339-M391 HydrophobicContact CE-CE 3.79Å; M339-M391 HydrophobicContact CG-CE 4.09Å; M342-M391 HydrophobicContact CE-SD 3.64Å; M342-M391 HydrophobicContact SD-SD 4.43Å; Q387-M391 VanDerWaalsContact O-CG 3.27Å; Q387-M391 WeakPolarHBondContact O-CG 3.44Å; Q387-M391 PolarHBondContact O-N 3Å; A388-M391 WeakPolarHBondContact O-CB 3.42Å; A388-M391 PolarHBondContact O-N 2.94Å; A388-M391 VanDerWaalsContact O-N 3.07Å
392	L	98.4	Very high	98.3	Very high	6 Å²	6	47.3 Å²	47.3	3%	0.031	26%	0.255	C	S	.	.	H	α-helix	trans	-79.4	-17.9	174.8	-90	63.8	0	0	0	113.4	A314 Y317 A388 D390 G396 Y401 V403	A314-L392 HydrophobicContact CB-CD1 4.19Å; Y317-L392 HydrophobicContact CD1-CB 4.4Å; Y317-L392 HydrophobicContact CD1-CD1 3.94Å; Y317-L392 HydrophobicContact CD1-CG 3.79Å; Y317-L392 HydrophobicContact CD2-CG 4.47Å; Y317-L392 HydrophobicContact CE1-CB 4.22Å; Y317-L392 HydrophobicContact CE1-CG 4.05Å; Y317-L392 HydrophobicContact CG-CD1 4.18Å; Y317-L392 HydrophobicContact CG-CG 4Å; Y317-L392 PolarHBondContact OH-O 2.99Å; Y317-L392 VanDerWaalsContact OH-O 3.09Å; A388-L392 WeakPolarHBondContact O-CD1 3.18Å; A388-L392 PolarHBondContact O-N 3.2Å; A388-L392 VanDerWaalsContact O-N 3.16Å; D390-L392 VanDerWaalsContact C-N 3.26Å; D390-L392 PolarHBondContact O-N 2.93Å; L392-G396 VanDerWaalsContact CB-CA 3.46Å; L392-Y401 HydrophobicContact CD2-CD1 4.06Å; L392-Y401 HydrophobicContact CD2-CG 4.14Å; L392-V403 HydrophobicContact CD2-CB 4.35Å; L392-V403 HydrophobicContact CD2-CG2 3.94Å
393	G	97.1	Very high	98.3	Very high	41 Å²	41	47.3 Å²	47.3	42%	0.423	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	66.2	-137.1	-176.3	0	0	0	0	0	112.3	D390 N395 G396	D390-G393 PolarHBondContact O-N 3.34Å; D390-G393 VanDerWaalsContact O-N 3.13Å; G393-N395 PolarHBondContact O-N 2.89Å; G393-G396 WeakPolarHBondContact O-CA 3.44Å; G393-G396 PolarHBondContact O-N 3.47Å
394	G	97.4	Very high	98.3	Very high	65 Å²	65	44.4 Å²	44.4	67%	0.67	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-61	-27.8	179.4	0	0	0	0	0	114.5	G396 I397	G394-G396 PolarHBondContact O-N 3.34Å; G394-I397 VanDerWaalsContact O-CG1 3.27Å; G394-I397 WeakPolarHBondContact O-CG1 3.26Å
395	N	97.9	Very high	98.3	Very high	57 Å²	57	44.1 Å²	44.1	31%	0.305	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-70.3	-21.1	172.1	-73.3	-9.3	0	0	0	112.3	Y317 G393 I397 A398 Y401	Y317-N395 PolarHBondContact OH-ND2 3.46Å; G393-N395 PolarHBondContact O-N 2.89Å; N395-I397 PolarHBondContact O-N 2.92Å; N395-A398 PolarHBondContact O-N 3.28Å; N395-Y401 HydrophobicContact CB-CD1 4.44Å; N395-Y401 HydrophobicContact CB-CD2 3.85Å; N395-Y401 HydrophobicContact CB-CE1 4.24Å; N395-Y401 HydrophobicContact CB-CE2 3.59Å; N395-Y401 HydrophobicContact CB-CG 4.27Å; N395-Y401 PolarHBondContact ND2-OH 2.59Å; N395-Y401 VanDerWaalsContact O-CD2 3.26Å; N395-Y401 WeakPolarHBondContact O-CD2 3.3Å
396	G	97.8	Very high	98.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-70	-11.3	-178.1	0	0	0	0	0	114.5	R389 L392 G393 G394 I404	R389-G396 VanDerWaalsContact CD-O 3.29Å; R389-G396 WeakPolarHBondContact CD-O 3.42Å; R389-G396 WeakPolarHBondContact CG-O 3.49Å; L392-G396 VanDerWaalsContact CB-CA 3.46Å; G393-G396 WeakPolarHBondContact O-CA 3.44Å; G393-G396 PolarHBondContact O-N 3.47Å; G394-G396 PolarHBondContact O-N 3.34Å; G396-I404 WeakPolarHBondContact O-CB 3.47Å
397	I	98.2	Very high	98.3	Very high	120 Å²	120	40.6 Å²	40.6	62%	0.615	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-98.1	-2.8	174.6	61.4	164.3	0	0	0	113.9	G394 N395	G394-I397 VanDerWaalsContact O-CG1 3.27Å; G394-I397 WeakPolarHBondContact O-CG1 3.26Å; N395-I397 PolarHBondContact O-N 2.92Å
398	A	98.2	Very high	98.3	Very high	30 Å²	30	39.8 Å²	39.8	25%	0.248	22%	0.223	C	C	.	.	S	Bend	trans	-94	134.6	177.9	0	0	0	0	0	111	N395 E400 Y401	N395-A398 PolarHBondContact O-N 3.28Å; A398-E400 VanDerWaalsContact C-N 3.28Å; A398-E400 PolarHBondContact O-N 2.93Å; A398-Y401 HydrophobicContact CB-CD2 4.18Å; A398-Y401 PolarHBondContact O-N 3.04Å; A398-Y401 VanDerWaalsContact O-N 3.16Å
399	D	98	Very high	98.3	Very high	29 Å²	29	39.9 Å²	39.9	16%	0.155	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-75.5	-14.6	-175.7	61	-40.6	0	0	0	113.3	L86 R90 Y401 H402 I404	L86-D399 HydrophobicContact CD1-CB 4.2Å; L86-D399 WeakPolarHBondContact CD1-O 3.43Å; L86-D399 WeakPolarHBondContact CD1-OD2 3.42Å; R90-D399 IonicContact CZ-OD1 3.47Å; R90-D399 IonicContact CZ-OD2 3.5Å; R90-D399 IonicContact NE-OD1 3.49Å; R90-D399 PolarHBondContact NE-OD1 3.14Å; R90-D399 IonicContact NE-OD2 2.91Å; R90-D399 PolarHBondContact NE-OD2 2.86Å; R90-D399 IonicContact NH2-OD1 2.73Å; R90-D399 PolarHBondContact NH2-OD1 2.76Å; R90-D399 IonicContact NH2-OD2 3.47Å; R90-D399 PolarHBondContact NH2-OD2 3.29Å; D399-Y401 PolarHBondContact O-N 3.36Å; D399-H402 WeakPolarHBondContact O-CA 3.42Å; D399-H402 PolarHBondContact O-N 2.94Å; D399-H402 PolarHBondContact O-ND1 2.97Å; D399-I404 HydrophobicContact CB-CG2 4.1Å
400	E	97.3	Very high	98.3	Very high	101 Å²	101	36.3 Å²	36.3	47%	0.472	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-56.4	-31.9	164.1	-69.4	79.9	-174	0	0	112.8	R90 A398 H402	R90-E400 IonicContact CZ-OE1 3.6Å; R90-E400 IonicContact NH1-OE1 3.59Å; R90-E400 IonicContact NH2-OE1 3.31Å; R90-E400 PolarHBondContact NH2-OE1 2.87Å; R90-E400 IonicContact NH2-OE2 3.43Å; R90-E400 PolarHBondContact NH2-OE2 2.79Å; A398-E400 VanDerWaalsContact C-N 3.28Å; A398-E400 PolarHBondContact O-N 2.93Å; E400-H402 VanDerWaalsContact C-N 3.32Å
401	Y	97.8	Very high	98.3	Very high	98 Å²	98	36.3 Å²	36.3	38%	0.384	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-87.7	-2	175.7	-71.6	-87.5	0	0	0	113.3	Y317 L392 N395 A398 D399 V403	Y317-Y401 HydrophobicContact CD2-CE1 4.14Å; Y317-Y401 AromaticContact CE2-CE1 3.95Å; Y317-Y401 HydrophobicContact CE2-CE1 3.95Å; L392-Y401 HydrophobicContact CD2-CD1 4.06Å; L392-Y401 HydrophobicContact CD2-CG 4.14Å; N395-Y401 HydrophobicContact CB-CD1 4.44Å; N395-Y401 HydrophobicContact CB-CD2 3.85Å; N395-Y401 HydrophobicContact CB-CE1 4.24Å; N395-Y401 HydrophobicContact CB-CE2 3.59Å; N395-Y401 HydrophobicContact CB-CG 4.27Å; N395-Y401 PolarHBondContact ND2-OH 2.59Å; N395-Y401 VanDerWaalsContact O-CD2 3.26Å; N395-Y401 WeakPolarHBondContact O-CD2 3.3Å; A398-Y401 HydrophobicContact CB-CD2 4.18Å; A398-Y401 PolarHBondContact O-N 3.04Å; A398-Y401 VanDerWaalsContact O-N 3.16Å; D399-Y401 PolarHBondContact O-N 3.36Å; Y401-V403 PolarHBondContact O-N 3.45Å
402	H	98.6	Very high	98.3	Very high	33 Å²	33	37.3 Å²	37.3	15%	0.153	22%	0.216	C	C	.	.	S	Bend	trans	60.6	-26.2	174.3	-59	-24.7	0	0	0	117.8	M82 F309 D399 E400 I404 R405 H406	M82-H402 WeakPolarHBondContact CE-CD2 3.47Å; F309-H402 HydrophobicContact CE1-CB 3.66Å; F309-H402 HydrophobicContact CZ-CB 3.73Å; F309-H402 AromaticContact CZ-CD2 3.94Å; D399-H402 WeakPolarHBondContact O-CA 3.42Å; D399-H402 PolarHBondContact O-N 2.94Å; D399-H402 PolarHBondContact O-ND1 2.97Å; E400-H402 VanDerWaalsContact C-N 3.32Å; H402-I404 VanDerWaalsContact C-N 3.3Å; H402-I404 PolarHBondContact O-N 3.39Å; H402-R405 WeakPolarHBondContact O-CB 3.25Å; H402-R405 PolarHBondContact O-N 2.99Å; H402-H406 PolarHBondContact O-CD2 2.85Å; H402-H406 PolarHBondContact O-N 3.1Å
403	V	98.7	Very high	98.3	Very high	1 Å²	1	37 Å²	37	1%	0.006	21%	0.214	C	C	.	.	H	α-helix	trans	-58.9	-39.4	-176.8	179.2	0	0	0	0	112.1	A313 A388 R389 L392 Y401 R405 H406 V407	A313-V403 HydrophobicContact CB-CG2 3.89Å; A388-V403 HydrophobicContact CB-CG1 3.73Å; R389-V403 HydrophobicContact CB-CG1 4.1Å; L392-V403 HydrophobicContact CD2-CB 4.35Å; L392-V403 HydrophobicContact CD2-CG2 3.94Å; Y401-V403 PolarHBondContact O-N 3.45Å; V403-R405 VanDerWaalsContact C-N 3.3Å; V403-R405 PolarHBondContact O-N 3.42Å; V403-H406 PolarHBondContact O-N 3Å; V403-V407 PolarHBondContact O-N 3.23Å
404	I	98.8	Very high	98.4	Very high	24 Å²	24	36.6 Å²	36.6	12%	0.123	20%	0.202	C	C	.	.	H	α-helix	trans	-60.4	-37.9	176.6	-168.5	58.7	0	0	0	112.7	R389 G396 D399 H402 V407 M408	R389-I404 HydrophobicContact CG-CD1 4.02Å; G396-I404 WeakPolarHBondContact O-CB 3.47Å; D399-I404 HydrophobicContact CB-CG2 4.1Å; H402-I404 VanDerWaalsContact C-N 3.3Å; H402-I404 PolarHBondContact O-N 3.39Å; I404-V407 PolarHBondContact O-N 3.43Å; I404-M408 HydrophobicContact CD1-CG 4.36Å; I404-M408 HydrophobicContact CD1-SD 4.2Å; I404-M408 HydrophobicContact CG1-CG 4.41Å; I404-M408 HydrophobicContact CG1-SD 3.76Å; I404-M408 WeakPolarHBondContact O-CB 3.39Å; I404-M408 VanDerWaalsContact O-CG 3.26Å; I404-M408 WeakPolarHBondContact O-CG 3.13Å; I404-M408 PolarHBondContact O-N 2.7Å
405	R	98.8	Very high	98.3	Very high	3 Å²	3	37.5 Å²	37.5	1%	0.011	20%	0.195	C	C	.	.	H	α-helix	trans	-63.4	-44.2	176.4	173.1	177.2	59.1	68	1	110.8	N89 V135 D136 H402 V403 M408 N409	N89-R405 HydrophobicContact CB-CG 4.27Å; V135-R405 PolarHBondContact O-NH1 2.91Å; V135-R405 PolarHBondContact O-NH2 2.87Å; D136-R405 WeakPolarHBondContact OD2-CD 3.27Å; D136-R405 IonicContact OD2-CZ 2.68Å; D136-R405 IonicContact OD2-NE 3.1Å; D136-R405 IonicContact OD2-NH1 2.76Å; D136-R405 PolarHBondContact OD2-NH1 3.05Å; H402-R405 WeakPolarHBondContact O-CB 3.25Å; H402-R405 PolarHBondContact O-N 2.99Å; V403-R405 VanDerWaalsContact C-N 3.3Å; V403-R405 PolarHBondContact O-N 3.42Å; R405-M408 PolarHBondContact O-N 2.96Å; R405-N409 VanDerWaalsContact O-CB 3.24Å; R405-N409 WeakPolarHBondContact O-CB 3.43Å; R405-N409 PolarHBondContact O-N 2.94Å; R405-N409 PolarHBondContact O-ND2 3.04Å
406	H	98.9	Very high	98	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-66.4	-39.5	175.4	-71.9	-86	0	0	0	112.7	E133 R134 V135 A306 F309 C310 H402 V403 L410	E133-H406 PolarHBondContact O-CE1 2.86Å; R134-H406 PolarHBondContact O-CE1 2.9Å; V135-H406 PolarHBondContact O-CE1 3.37Å; V135-H406 PolarHBondContact O-NE2 3.09Å; A306-H406 WeakPolarHBondContact CB-ND1 3.44Å; F309-H406 AromaticContact CD1-CD2 3.51Å; F309-H406 AromaticContact CD1-NE2 3.49Å; F309-H406 WeakPolarHBondContact CD1-NE2 3.34Å; F309-H406 AromaticContact CE1-CD2 3.83Å; F309-H406 AromaticContact CE1-NE2 3.85Å; F309-H406 AromaticContact CG-NE2 3.83Å; C310-H406 VanDerWaalsContact SG-CB 3.54Å; H402-H406 PolarHBondContact O-CD2 2.85Å; H402-H406 PolarHBondContact O-N 3.1Å; V403-H406 PolarHBondContact O-N 3Å; H406-L410 WeakPolarHBondContact O-CB 3.23Å; H406-L410 WeakPolarHBondContact O-CD1 3.19Å; H406-L410 WeakPolarHBondContact O-CG 3.33Å; H406-L410 PolarHBondContact O-N 2.65Å
407	V	98.9	Very high	97.6	Very high	13 Å²	13	38.7 Å²	38.7	8%	0.079	20%	0.197	C	C	.	.	H	α-helix	trans	-55.4	-57.6	171.3	172.7	0	0	0	0	110.5	A385 R386 R389 V403 I404 N409 L410 E411	A385-V407 HydrophobicContact CB-CB 4.45Å; A385-V407 HydrophobicContact CB-CG2 3.64Å; A385-V407 VanDerWaalsContact O-CG2 3.26Å; A385-V407 WeakPolarHBondContact O-CG2 3.27Å; R386-V407 HydrophobicContact CG-CG1 4.06Å; R389-V407 HydrophobicContact CB-CG2 3.96Å; R389-V407 HydrophobicContact CG-CG2 4.15Å; V403-V407 PolarHBondContact O-N 3.23Å; I404-V407 PolarHBondContact O-N 3.43Å; V407-N409 VanDerWaalsContact C-N 3.3Å; V407-N409 PolarHBondContact O-N 3.34Å; V407-L410 PolarHBondContact O-N 2.99Å; V407-L410 VanDerWaalsContact O-N 3.1Å; V407-E411 PolarHBondContact O-N 3.35Å
408	M	98.9	Very high	97.3	Very high	62 Å²	62	33.7 Å²	33.7	31%	0.305	18%	0.175	S	C	.	.	H	α-helix	trans	-61.8	-38.5	-174.7	-68.3	170	78.9	0	0	111.9	F256 S257 I404 R405	F256-M408 HydrophobicContact CB-CE 3.98Å; F256-M408 HydrophobicContact CD1-CE 3.74Å; F256-M408 HydrophobicContact CG-CE 4.33Å; F256-M408 WeakPolarHBondContact O-CB 3.49Å; F256-M408 VanDerWaalsContact O-CE 3.27Å; F256-M408 WeakPolarHBondContact O-CE 3.41Å; S257-M408 WeakPolarHBondContact CB-O 3.48Å; S257-M408 PolarHBondContact OG-O 2.9Å; I404-M408 HydrophobicContact CD1-CG 4.36Å; I404-M408 HydrophobicContact CD1-SD 4.2Å; I404-M408 HydrophobicContact CG1-CG 4.41Å; I404-M408 HydrophobicContact CG1-SD 3.76Å; I404-M408 WeakPolarHBondContact O-CB 3.39Å; I404-M408 VanDerWaalsContact O-CG 3.26Å; I404-M408 WeakPolarHBondContact O-CG 3.13Å; I404-M408 PolarHBondContact O-N 2.7Å; R405-M408 PolarHBondContact O-N 2.96Å
409	N	98.9	Very high	97.3	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-61.1	-47.8	172	-79.4	-13.4	0	0	0	112.9	D136 S257 L258 R405 V407 E411 A412 V413	D136-N409 VanDerWaalsContact CG-ND2 3.33Å; D136-N409 PolarHBondContact OD1-ND2 3.11Å; D136-N409 PolarHBondContact OD2-ND2 3.5Å; S257-N409 WeakPolarHBondContact OG-CA 3.45Å; S257-N409 PolarHBondContact OG-O 3.41Å; L258-N409 VanDerWaalsContact CA-OD1 3.29Å; L258-N409 WeakPolarHBondContact CA-OD1 3.49Å; L258-N409 HydrophobicContact CD2-CB 4.04Å; L258-N409 PolarHBondContact N-OD1 2.94Å; R405-N409 VanDerWaalsContact O-CB 3.24Å; R405-N409 WeakPolarHBondContact O-CB 3.43Å; R405-N409 PolarHBondContact O-N 2.94Å; R405-N409 PolarHBondContact O-ND2 3.04Å; V407-N409 VanDerWaalsContact C-N 3.3Å; V407-N409 PolarHBondContact O-N 3.34Å; N409-E411 VanDerWaalsContact C-N 3.29Å; N409-E411 PolarHBondContact O-N 3.39Å; N409-A412 PolarHBondContact O-N 3.24Å; N409-A412 VanDerWaalsContact O-N 3.11Å; N409-V413 WeakPolarHBondContact O-CG2 3.47Å; N409-V413 PolarHBondContact O-N 3.49Å
410	L	98.9	Very high	97.3	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-68.2	-24.6	-174.3	-73.8	165.4	0	0	0	113.3	A306 A381 L382 A385 H406 V407 A412 V413 N414	A306-L410 HydrophobicContact CB-CD1 4.14Å; A306-L410 HydrophobicContact CB-CD2 4.43Å; A381-L410 HydrophobicContact CB-CD1 4.05Å; A381-L410 HydrophobicContact CB-CD2 4.03Å; L382-L410 HydrophobicContact CB-CB 4.12Å; L382-L410 HydrophobicContact CD1-CB 3.82Å; A385-L410 HydrophobicContact CB-CD1 3.78Å; H406-L410 WeakPolarHBondContact O-CB 3.23Å; H406-L410 WeakPolarHBondContact O-CD1 3.19Å; H406-L410 WeakPolarHBondContact O-CG 3.33Å; H406-L410 PolarHBondContact O-N 2.65Å; V407-L410 PolarHBondContact O-N 2.99Å; V407-L410 VanDerWaalsContact O-N 3.1Å; L410-A412 VanDerWaalsContact C-N 3.29Å; L410-A412 PolarHBondContact O-N 3.42Å; L410-V413 HydrophobicContact CD2-CB 4.29Å; L410-V413 PolarHBondContact O-N 2.77Å; L410-N414 WeakPolarHBondContact O-CB 3.49Å; L410-N414 PolarHBondContact O-N 3.18Å
411	E	98.8	Very high	97.3	Very high	75 Å²	75	35.1 Å²	35.1	35%	0.35	18%	0.182	S	C	.	.	H	α-helix	trans	-54.9	-44.5	169.1	-60.6	-67.2	170.8	0	0	111.2	L382 R386 V407 N409 T415	L382-E411 HydrophobicContact CD1-CG 4.14Å; R386-E411 IonicContact CZ-OE1 3.73Å; R386-E411 IonicContact CZ-OE2 2.7Å; R386-E411 IonicContact NE-OE1 2.82Å; R386-E411 PolarHBondContact NE-OE1 2.83Å; R386-E411 VanDerWaalsContact NE-OE1 3.09Å; R386-E411 IonicContact NH2-OE1 3.87Å; R386-E411 PolarHBondContact NH2-OE1 3.33Å; R386-E411 IonicContact NH2-OE2 3.39Å; R386-E411 PolarHBondContact NH2-OE2 3.15Å; V407-E411 PolarHBondContact O-N 3.35Å; N409-E411 VanDerWaalsContact C-N 3.29Å; N409-E411 PolarHBondContact O-N 3.39Å; E411-T415 PolarHBondContact O-N 2.97Å; E411-T415 PolarHBondContact O-OG1 3.08Å
412	A	98.4	Very high	97.3	Very high	23 Å²	23	32.1 Å²	32.1	19%	0.19	17%	0.172	C	C	.	.	H	α-helix	trans	-73	-41.1	176.8	0	0	0	0	0	112	S257 L258 N409 L410 N414 T415 Y416	S257-A412 WeakPolarHBondContact OG-CB 3.43Å; L258-A412 HydrophobicContact CD1-CB 3.96Å; L258-A412 HydrophobicContact CG-CB 4.1Å; N409-A412 PolarHBondContact O-N 3.24Å; N409-A412 VanDerWaalsContact O-N 3.11Å; L410-A412 VanDerWaalsContact C-N 3.29Å; L410-A412 PolarHBondContact O-N 3.42Å; A412-N414 PolarHBondContact O-N 2.97Å; A412-T415 CarbonylContact O-C 3.29Å; A412-T415 WeakPolarHBondContact O-CA 3.29Å; A412-T415 WeakPolarHBondContact O-CB 3.34Å; A412-T415 PolarHBondContact O-N 3.22Å; A412-Y416 HydrophobicContact CB-CD1 4.28Å; A412-Y416 WeakPolarHBondContact O-CD1 3.42Å; A412-Y416 PolarHBondContact O-N 2.97Å
413	V	98.4	Very high	97.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-61.1	-34.2	179	-177.4	0	0	0	0	112	L258 I299 K374 N409 L410 T415 Y416	L258-V413 HydrophobicContact CD2-CG2 4.3Å; I299-V413 HydrophobicContact CG2-CG1 3.53Å; K374-V413 PolarHBondContact NZ-O 3.14Å; N409-V413 WeakPolarHBondContact O-CG2 3.47Å; N409-V413 PolarHBondContact O-N 3.49Å; L410-V413 HydrophobicContact CD2-CB 4.29Å; L410-V413 PolarHBondContact O-N 2.77Å; V413-T415 VanDerWaalsContact C-N 3.27Å; V413-T415 PolarHBondContact O-N 3.24Å; V413-Y416 VanDerWaalsContact CA-CE1 3.49Å; V413-Y416 HydrophobicContact CB-CE1 4.17Å; V413-Y416 HydrophobicContact CG2-CE1 3.86Å
414	N	98.3	Very high	97.3	Very high	32 Å²	32	32.1 Å²	32.1	17%	0.171	18%	0.177	C	C	.	.	H	α-helix	trans	-69.3	-23.5	172.5	-165.4	43.8	0	0	0	113.3	C378 L382 L410 A412 H420	C378-N414 HydrophobicContact CB-CB 4.3Å; L382-N414 HydrophobicContact CD2-CB 4.04Å; L410-N414 WeakPolarHBondContact O-CB 3.49Å; L410-N414 PolarHBondContact O-N 3.18Å; A412-N414 PolarHBondContact O-N 2.97Å; N414-H420 PolarHBondContact O-N 2.74Å
415	T	95.9	Very high	97.3	Very high	84 Å²	84	33.8 Å²	33.8	52%	0.515	19%	0.187	S	C	.	.	H	α-helix	trans	-94.3	-52.6	-176.2	-56.5	0	0	0	0	113.4	E411 A412 V413 G418 T419	E411-T415 PolarHBondContact O-N 2.97Å; E411-T415 PolarHBondContact O-OG1 3.08Å; A412-T415 CarbonylContact O-C 3.29Å; A412-T415 WeakPolarHBondContact O-CA 3.29Å; A412-T415 WeakPolarHBondContact O-CB 3.34Å; A412-T415 PolarHBondContact O-N 3.22Å; V413-T415 VanDerWaalsContact C-N 3.27Å; V413-T415 PolarHBondContact O-N 3.24Å; T415-G418 CarbonylContact O-C 3.57Å; T415-T419 HydrophobicContact CG2-CG2 4.37Å; T415-T419 PolarHBondContact O-N 2.76Å
416	Y	91.7	Very high	97.2	Very high	53 Å²	53	34.7 Å²	34.7	21%	0.208	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	164.9	-172	79	-107.9	0	0	0	112.5	R140 L258 I299 K374 A412 V413 G418	R140-Y416 PolarHBondContact NH1-OH 2.77Å; R140-Y416 PolarHBondContact NH2-OH 3.36Å; L258-Y416 HydrophobicContact CD1-CD1 4.18Å; L258-Y416 HydrophobicContact CD1-CE1 3.78Å; I299-Y416 HydrophobicContact CD1-CE2 3.56Å; K374-Y416 WeakPolarHBondContact CE-O 3.15Å; K374-Y416 PolarHBondContact NZ-O 3.12Å; A412-Y416 HydrophobicContact CB-CD1 4.28Å; A412-Y416 WeakPolarHBondContact O-CD1 3.42Å; A412-Y416 PolarHBondContact O-N 2.97Å; V413-Y416 VanDerWaalsContact CA-CE1 3.49Å; V413-Y416 HydrophobicContact CB-CE1 4.17Å; V413-Y416 HydrophobicContact CG2-CE1 3.86Å; Y416-G418 PolarHBondContact O-N 2.98Å; Y416-G418 VanDerWaalsContact O-N 3.08Å
417	E	89.6	Confident	97.2	Very high	29 Å²	29	36.3 Å²	36.3	14%	0.136	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	12.3	-173.6	-83.4	177.1	-131.2	0	0	115	L292 A295 R296 I299	L292-E417 HydrophobicContact CD2-CG 3.93Å; A295-E417 WeakPolarHBondContact CB-OE2 3.4Å; R296-E417 HydrophobicContact CG-CB 4.29Å; R296-E417 VanDerWaalsContact CZ-O 3.22Å; R296-E417 PolarHBondContact N-OE2 3.24Å; R296-E417 VanDerWaalsContact N-OE2 3.13Å; R296-E417 PolarHBondContact NE-O 3.01Å; R296-E417 PolarHBondContact NH2-O 3.41Å; I299-E417 HydrophobicContact CD1-CB 4.49Å; I299-E417 VanDerWaalsContact CD1-CD 3.44Å; I299-E417 WeakPolarHBondContact CD1-OE1 3.37Å; I299-E417 VanDerWaalsContact CD1-OE2 3.25Å; I299-E417 WeakPolarHBondContact CD1-OE2 3.14Å
418	G	92.6	Very high	97.2	Very high	16 Å²	16	37.1 Å²	37.1	17%	0.165	21%	0.211	C	C	.	.	S	Bend	trans	121	119.1	-176.2	0	0	0	0	0	109.7	K374 T415 Y416 H423	K374-G418 PolarHBondContact NZ-O 3.24Å; T415-G418 CarbonylContact O-C 3.57Å; Y416-G418 PolarHBondContact O-N 2.98Å; Y416-G418 VanDerWaalsContact O-N 3.08Å; G418-H423 PolarHBondContact O-CD2 3.43Å; G418-H423 PolarHBondContact O-NE2 2.85Å
419	T	96.8	Very high	97.1	Very high	39 Å²	39	39.3 Å²	39.3	24%	0.239	22%	0.216	C	C	.	.			trans	-66.7	156.9	179.4	68	0	0	0	0	110.6	T415 D421 I422 H423	T415-T419 HydrophobicContact CG2-CG2 4.37Å; T415-T419 PolarHBondContact O-N 2.76Å; T419-D421 PolarHBondContact O-N 3.37Å; T419-D421 VanDerWaalsContact O-N 3.08Å; T419-I422 PolarHBondContact O-N 2.64Å; T419-I422 WeakPolarHBondContact OG1-CG1 3.38Å; T419-I422 PolarHBondContact OG1-N 2.99Å; T419-H423 PolarHBondContact O-CD2 3.42Å; T419-H423 PolarHBondContact O-N 2.61Å
420	H	97.9	Very high	97.1	Very high	50 Å²	50	42.1 Å²	42.1	23%	0.231	24%	0.239	C	C	.	.	H	α-helix	trans	-44.9	-38.2	172	176.8	-93.4	0	0	0	113.5	R375 N414 A424	R375-H420 VanDerWaalsContact CD-O 3.23Å; R375-H420 WeakPolarHBondContact CD-O 3.5Å; R375-H420 VanDerWaalsContact CG-CD2 3.41Å; R375-H420 WeakPolarHBondContact CG-CD2 3.46Å; R375-H420 VanDerWaalsContact CZ-CE1 3.46Å; R375-H420 VanDerWaalsContact CZ-NE2 3.32Å; R375-H420 PolarHBondContact NE-NE2 2.94Å; R375-H420 PolarHBondContact NE-O 2.75Å; R375-H420 VanDerWaalsContact NE-O 3.12Å; R375-H420 PolarHBondContact NH2-CE1 3.37Å; R375-H420 PolarHBondContact NH2-NE2 3.45Å; N414-H420 PolarHBondContact O-N 2.74Å; H420-A424 PolarHBondContact O-N 2.87Å; H420-A424 VanDerWaalsContact O-N 3.13Å
421	D	98.1	Very high	97.1	Very high	100 Å²	100	48.8 Å²	48.8	54%	0.535	27%	0.273	S	S	.	.	H	α-helix	trans	-88	-32.3	-175.3	-50.6	-39.3	0	0	0	112.6	T419 H423 A424 L425	T419-D421 PolarHBondContact O-N 3.37Å; T419-D421 VanDerWaalsContact O-N 3.08Å; D421-H423 VanDerWaalsContact C-N 3.27Å; D421-H423 PolarHBondContact O-N 2.91Å; D421-A424 CarbonylContact O-C 3.51Å; D421-A424 WeakPolarHBondContact O-CA 3.23Å; D421-A424 WeakPolarHBondContact O-CB 2.99Å; D421-A424 PolarHBondContact O-N 3.05Å; D421-L425 WeakPolarHBondContact O-CG 3.37Å; D421-L425 PolarHBondContact O-N 3.49Å
422	I	97.7	Very high	97	Very high	36 Å²	36	49.3 Å²	49.3	19%	0.185	28%	0.281	C	S	.	.	H	α-helix	trans	-60.5	-39.8	168.1	-72.3	-70.1	0	0	0	110.4	T419 A424 L425 I426 F437	T419-I422 PolarHBondContact O-N 2.64Å; T419-I422 WeakPolarHBondContact OG1-CG1 3.38Å; T419-I422 PolarHBondContact OG1-N 2.99Å; I422-A424 VanDerWaalsContact C-N 3.35Å; I422-L425 PolarHBondContact O-N 2.84Å; I422-I426 HydrophobicContact CG2-CD1 4.33Å; I422-I426 WeakPolarHBondContact O-CG1 3Å; I422-I426 PolarHBondContact O-N 3.27Å; I422-F437 HydrophobicContact CD1-CD1 4.29Å
423	H	98.4	Very high	97	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-68	-31.9	172	-73.9	-66	0	0	0	113	S371 R375 G418 T419 D421 I426 L427	S371-H423 WeakPolarHBondContact CA-ND1 3.35Å; S371-H423 WeakPolarHBondContact CB-ND1 3.48Å; S371-H423 PolarHBondContact OG-ND1 2.88Å; S371-H423 VanDerWaalsContact OG-ND1 3.11Å; R375-H423 HydrophobicContact CB-CB 3.87Å; R375-H423 HydrophobicContact CG-CB 4.29Å; G418-H423 PolarHBondContact O-CD2 3.43Å; G418-H423 PolarHBondContact O-NE2 2.85Å; T419-H423 PolarHBondContact O-CD2 3.42Å; T419-H423 PolarHBondContact O-N 2.61Å; D421-H423 VanDerWaalsContact C-N 3.27Å; D421-H423 PolarHBondContact O-N 2.91Å; H423-I426 PolarHBondContact O-N 2.91Å; H423-L427 WeakPolarHBondContact O-CG 3.44Å; H423-L427 PolarHBondContact O-N 2.71Å; H423-L427 VanDerWaalsContact O-N 3.14Å
424	A	98.5	Very high	96.8	Very high	33 Å²	33	57.2 Å²	57.2	27%	0.273	34%	0.335	S	S	.	.	H	α-helix	trans	-63.9	-40	171.1	0	0	0	0	0	112	H420 D421 I422 L427 G428	H420-A424 PolarHBondContact O-N 2.87Å; H420-A424 VanDerWaalsContact O-N 3.13Å; D421-A424 CarbonylContact O-C 3.51Å; D421-A424 WeakPolarHBondContact O-CA 3.23Å; D421-A424 WeakPolarHBondContact O-CB 2.99Å; D421-A424 PolarHBondContact O-N 3.05Å; I422-A424 VanDerWaalsContact C-N 3.35Å; A424-L427 PolarHBondContact O-N 3.17Å; A424-G428 PolarHBondContact O-N 3.35Å
425	L	97.9	Very high	96.7	Very high	60 Å²	60	59 Å²	59	31%	0.314	34%	0.342	S	S	.	.	H	α-helix	trans	-69.4	-34.5	176.3	-65.7	175.5	0	0	0	112.8	D421 I422 G428 R429 S436 F437	D421-L425 WeakPolarHBondContact O-CG 3.37Å; D421-L425 PolarHBondContact O-N 3.49Å; I422-L425 PolarHBondContact O-N 2.84Å; L425-G428 PolarHBondContact O-N 3.43Å; L425-R429 WeakPolarHBondContact O-CB 3.41Å; L425-R429 PolarHBondContact O-N 3.47Å; L425-S436 WeakPolarHBondContact CD2-O 3.35Å; L425-F437 HydrophobicContact CB-CD1 3.93Å; L425-F437 HydrophobicContact CB-CE1 3.49Å; L425-F437 VanDerWaalsContact CB-CE1 3.49Å; L425-F437 HydrophobicContact CB-CE2 4.4Å; L425-F437 HydrophobicContact CB-CZ 3.76Å; L425-F437 HydrophobicContact CD1-CD1 4.04Å; L425-F437 HydrophobicContact CD1-CE1 4.39Å
426	I	97.6	Very high	96.7	Very high	22 Å²	22	59.2 Å²	59.2	11%	0.113	35%	0.347	C	S	.	.	H	α-helix	trans	-59.3	-48	170.9	-70	167.3	0	0	0	110.3	E368 I422 H423 R429 A430 F437	E368-I426 HydrophobicContact CG-CG2 4.46Å; I422-I426 HydrophobicContact CG2-CD1 4.33Å; I422-I426 WeakPolarHBondContact O-CG1 3Å; I422-I426 PolarHBondContact O-N 3.27Å; H423-I426 PolarHBondContact O-N 2.91Å; I426-R429 PolarHBondContact O-N 2.79Å; I426-A430 PolarHBondContact O-N 3.19Å; I426-F437 HydrophobicContact CB-CZ 4.46Å; I426-F437 HydrophobicContact CG1-CE1 4.13Å; I426-F437 HydrophobicContact CG1-CZ 3.76Å
427	L	98.6	Very high	96.7	Very high	34 Å²	34	60.1 Å²	60.1	18%	0.178	35%	0.352	C	S	.	.	H	α-helix	trans	-67.3	-41.6	177.9	-64.1	170	0	0	0	112	E368 M372 H423 A424 R429 A430 I431	E368-L427 HydrophobicContact CB-CD2 4.4Å; E368-L427 WeakPolarHBondContact O-CD2 3.21Å; M372-L427 HydrophobicContact CB-CD1 4.21Å; M372-L427 HydrophobicContact CB-CD2 4.09Å; H423-L427 WeakPolarHBondContact O-CG 3.44Å; H423-L427 PolarHBondContact O-N 2.71Å; H423-L427 VanDerWaalsContact O-N 3.14Å; A424-L427 PolarHBondContact O-N 3.17Å; L427-R429 VanDerWaalsContact C-N 3.31Å; L427-R429 PolarHBondContact O-N 2.72Å; L427-A430 PolarHBondContact O-N 3.16Å; L427-A430 VanDerWaalsContact O-N 3.1Å; L427-I431 WeakPolarHBondContact O-CB 3.32Å; L427-I431 WeakPolarHBondContact O-CD1 3.31Å; L427-I431 VanDerWaalsContact O-CG1 3.25Å; L427-I431 WeakPolarHBondContact O-CG1 3.39Å; L427-I431 PolarHBondContact O-N 3.19Å
428	G	98.5	Very high	96.8	Very high	30 Å²	30	63 Å²	63	31%	0.309	37%	0.372	S	S	.	.	H	α-helix	trans	-57.3	-43.4	175.6	0	0	0	0	0	112.3	A424 L425 I431 T432	A424-G428 PolarHBondContact O-N 3.35Å; L425-G428 PolarHBondContact O-N 3.43Å; G428-I431 PolarHBondContact O-N 2.89Å; G428-T432 WeakPolarHBondContact O-CB 3.25Å; G428-T432 WeakPolarHBondContact O-CG2 3.44Å; G428-T432 PolarHBondContact O-N 3.14Å; G428-T432 PolarHBondContact O-OG1 2.83Å
429	R	98.1	Very high	96.3	Very high	108 Å²	108	70.1 Å²	70.1	41%	0.408	41%	0.412	S	S	.	.	H	α-helix	trans	-64.8	-40.6	173.2	-175.5	-176.8	65.4	-162.8	-0.1	112.5	L425 I426 L427 I431 G433 L434 F437	L425-R429 WeakPolarHBondContact O-CB 3.41Å; L425-R429 PolarHBondContact O-N 3.47Å; I426-R429 PolarHBondContact O-N 2.79Å; L427-R429 VanDerWaalsContact C-N 3.31Å; L427-R429 PolarHBondContact O-N 2.72Å; R429-I431 VanDerWaalsContact C-N 3.33Å; R429-I431 PolarHBondContact O-N 3.33Å; R429-G433 VanDerWaalsContact O-CA 3.25Å; R429-G433 WeakPolarHBondContact O-CA 3.41Å; R429-G433 PolarHBondContact O-N 2.82Å; R429-L434 VanDerWaalsContact CA-O 3.26Å; R429-L434 WeakPolarHBondContact CA-O 3.4Å; R429-L434 WeakPolarHBondContact CB-O 3.4Å; R429-F437 HydrophobicContact CB-CE2 4.41Å
430	A	98.1	Very high	95.2	Very high	59 Å²	59	70.4 Å²	70.4	49%	0.488	42%	0.422	S	S	.	.	H	α-helix	trans	-66.8	-33.2	177.7	0	0	0	0	0	113.1	E368 I426 L427	E368-A430 HydrophobicContact CG-CB 3.6Å; I426-A430 PolarHBondContact O-N 3.19Å; L427-A430 PolarHBondContact O-N 3.16Å; L427-A430 VanDerWaalsContact O-N 3.1Å
431	I	98.4	Very high	92.6	Very high	142 Å²	142	81.1 Å²	81.1	73%	0.728	47%	0.468	S	S	*	.	H	α-helix	trans	-78.6	-38	179	-68.1	162.8	0	0	0	111.9	L427 G428 R429	L427-I431 WeakPolarHBondContact O-CB 3.32Å; L427-I431 WeakPolarHBondContact O-CD1 3.31Å; L427-I431 VanDerWaalsContact O-CG1 3.25Å; L427-I431 WeakPolarHBondContact O-CG1 3.39Å; L427-I431 PolarHBondContact O-N 3.19Å; G428-I431 PolarHBondContact O-N 2.89Å; R429-I431 VanDerWaalsContact C-N 3.33Å; R429-I431 PolarHBondContact O-N 3.33Å
432	T	98.1	Very high	92.4	Very high	85 Å²	85	80.2 Å²	80.2	52%	0.521	47%	0.465	S	S	.	.	H	α-helix	trans	-104.8	-16.8	-171.3	62.6	0	0	0	0	114.9	G428 L434	G428-T432 WeakPolarHBondContact O-CB 3.25Å; G428-T432 WeakPolarHBondContact O-CG2 3.44Å; G428-T432 PolarHBondContact O-N 3.14Å; G428-T432 PolarHBondContact O-OG1 2.83Å; T432-L434 PolarHBondContact O-N 2.95Å; T432-L434 PolarHBondContact OG1-N 3.22Å; T432-L434 VanDerWaalsContact OG1-N 3.17Å
433	G	96.9	Very high	92.1	Very high	64 Å²	64	82.5 Å²	82.5	66%	0.66	48%	0.48	S	S	*	.	S	Bend	trans	75	-4.8	-167.3	0	0	0	0	0	114.7	R429	R429-G433 VanDerWaalsContact O-CA 3.25Å; R429-G433 WeakPolarHBondContact O-CA 3.41Å; R429-G433 PolarHBondContact O-N 2.82Å
434	L	96.1	Very high	91.7	Very high	125 Å²	125	87.1 Å²	87.1	65%	0.654	51%	0.506	S	S	*	.			trans	-105.4	135.3	-172.5	-58	178.8	0	0	0	111.9	R429 T432	R429-L434 VanDerWaalsContact CA-O 3.26Å; R429-L434 WeakPolarHBondContact CA-O 3.4Å; R429-L434 WeakPolarHBondContact CB-O 3.4Å; T432-L434 PolarHBondContact O-N 2.95Å; T432-L434 PolarHBondContact OG1-N 3.22Å; T432-L434 VanDerWaalsContact OG1-N 3.17Å
435	Q	95.1	Very high	91.3	Very high	71 Å²	71	90.3 Å²	90.3	33%	0.332	52%	0.52	S	S	.	.			trans	-78.3	141.5	174	83.7	81.2	7	0	0	110.5	F437 T438 G440	Q435-F437 HydrophobicContact CB-CD2 4.44Å; Q435-T438 PolarHBondContact NE2-O 2.68Å; Q435-T438 PolarHBondContact NE2-OG1 2.84Å; Q435-G440 PolarHBondContact NE2-O 2.73Å
436	S	95.8	Very high	90.9	Very high	87 Å²	87	92.2 Å²	92.2	61%	0.608	53%	0.533	S	S	*	.			trans	-141.9	37.4	173.8	-160.2	0	0	0	0	111.3	L425	L425-S436 WeakPolarHBondContact CD2-O 3.35Å
437	F	92.3	Very high	90.5	Very high	73 Å²	73	96.9 Å²	96.9	32%	0.32	56%	0.561	S	S	.	*	S	Bend	trans	-90.1	-29.1	173.6	-62	-88.7	0	0	0	111.6	I422 L425 I426 R429 Q435	I422-F437 HydrophobicContact CD1-CD1 4.29Å; L425-F437 HydrophobicContact CB-CD1 3.93Å; L425-F437 HydrophobicContact CB-CE1 3.49Å; L425-F437 VanDerWaalsContact CB-CE1 3.49Å; L425-F437 HydrophobicContact CB-CE2 4.4Å; L425-F437 HydrophobicContact CB-CZ 3.76Å; L425-F437 HydrophobicContact CD1-CD1 4.04Å; L425-F437 HydrophobicContact CD1-CE1 4.39Å; I426-F437 HydrophobicContact CB-CZ 4.46Å; I426-F437 HydrophobicContact CG1-CE1 4.13Å; I426-F437 HydrophobicContact CG1-CZ 3.76Å; R429-F437 HydrophobicContact CB-CE2 4.41Å; Q435-F437 HydrophobicContact CB-CD2 4.44Å
438	T	90.4	Very high	89.9	Confident	90 Å²	90	101.4 Å²	101.4	55%	0.552	59%	0.588	S	S	*	*			trans	-137.9	158	176.6	70.4	0	0	0	0	109.8	Q435	Q435-T438 PolarHBondContact NE2-O 2.68Å; Q435-T438 PolarHBondContact NE2-OG1 2.84Å
439	V	83.8	Confident	89.2	Confident	165 Å²	165	106.8 Å²	106.8	100%	1	61%	0.61	S	S	*	*	S	Bend	trans	-86.6	4	173.9	-160.9	0	0	0	0	111.4
440	G	72.9	Confident	88.5	Confident	44 Å²	44	106.8 Å²	106.8	45%	0.454	63%	0.626	S	S	.	*			trans	-85.2	164.1	174.9	0	0	0	0	0	112.6	Q435	Q435-G440 PolarHBondContact NE2-O 2.73Å
441	K	43.9	Very low	87.6	Confident	276 Å²	276	111.1 Å²	111.1	100%	1.2	64%	0.639	S	S	*	*			trans	-70.4	0	177	-68.3	-178.1	176.3	-179.3	0	112

Retrieved 441 of 441 residues in 670.6 ms (Link to these results)

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