A0A087YGY6_POEFO Loading...

Mitochondrial genome maintenance exonuclease 1

Metal-dependent single-stranded DNA (ssDNA) exonuclease involved in mitochondrial genome maintenance. Has preference for 5'-3' exonuclease activity. Necessary for maintenance of proper 7S DNA levels. Probably involved in mitochondrial DNA (mtDNA) repair.

AlphaFold DB , UniProt , Accession A0A087YGY6, Species POEFO (Poecilia formosa, Amazon molly), Gene MGME1, Length 350 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.9	Very low	26.4	Very low	230 Å²	230	152.8 Å²	152.8	100%	1.133	82%	0.815	S	S	*	*				0	98.8	0	-76	176.5	174.7	0	0	106.5
2	F	24.3	Very low	26.4	Very low	204 Å²	204	150.4 Å²	150.4	90%	0.895	82%	0.819	S	S	*	*				58.5	120.7	100.6	-80	-68.9	0	0	0	110.6
3	V	27	Very low	26.7	Very low	132 Å²	132	151 Å²	151	80%	0.8	82%	0.819	S	S	*	*			cis	-158.2	151.8	32.9	-177.5	0	0	0	0	110.1
4	L	25.1	Very low	26.8	Very low	136 Å²	136	151.6 Å²	151.6	71%	0.712	82%	0.819	S	S	*	*			trans	-61.7	158.3	168.2	-85	87	0	0	0	113.8
5	N	26.8	Very low	27.2	Very low	169 Å²	169	148.7 Å²	148.7	90%	0.904	81%	0.807	S	S	*	*				-148.7	120.5	128	-106.5	-16.4	0	0	0	111.8
6	R	27.2	Very low	27.5	Very low	196 Å²	196	147.2 Å²	147.2	74%	0.74	81%	0.808	S	S	*	*			trans	-88.5	145.3	162.4	-85.7	-178.9	165.2	-165.2	-3.3	108.1
7	V	27.2	Very low	27.3	Very low	146 Å²	146	149.1 Å²	149.1	89%	0.885	81%	0.809	S	S	*	*			trans	-134.2	130.4	144	177.7	0	0	0	0	108.5
8	L	24.3	Very low	27.4	Very low	114 Å²	114	146.4 Å²	146.4	60%	0.597	80%	0.804	S	S	*	*			trans	-103.4	174.3	176.2	-93.2	159.9	0	0	0	109.5
9	F	24.3	Very low	27.5	Very low	198 Å²	198	145.9 Å²	145.9	87%	0.868	81%	0.806	S	S	*	*			trans	90.2	141.9	166.3	-64.9	-89.9	0	0	0	115.8
10	A	25.8	Very low	27.6	Very low	87 Å²	87	144 Å²	144	72%	0.719	80%	0.803	S	S	*	*			cis	-179.5	155.9	-16.5	0	0	0	0	0	106.8
11	G	25.3	Very low	27.7	Very low	69 Å²	69	144.4 Å²	144.4	71%	0.711	80%	0.803	S	S	*	*			trans	92.6	107.7	138.7	0	0	0	0	0	118.8
12	S	26.5	Very low	27.5	Very low	124 Å²	124	139.7 Å²	139.7	87%	0.867	79%	0.787	S	S	*	*				102.2	123.5	123.6	-55.8	0	0	0	0	120
13	I	30.2	Very low	27.8	Very low	158 Å²	158	134 Å²	134	81%	0.81	78%	0.778	S	S	*	*			trans	-60.1	136.4	168.4	-65.1	155.8	0	0	0	111
14	I	28.8	Very low	27.8	Very low	160 Å²	160	132.7 Å²	132.7	82%	0.821	77%	0.773	S	S	*	*			trans	-139.7	118.2	155.9	-62	-177.1	0	0	0	109.4
15	V	32.7	Very low	28	Very low	107 Å²	107	134.9 Å²	134.9	65%	0.648	78%	0.78	S	S	*	*			trans	-77	154.3	163	172.5	0	0	0	0	108.8
16	P	31	Very low	28.3	Very low	125 Å²	125	136.9 Å²	136.9	81%	0.812	78%	0.781	S	S	*	*			trans	-120.1	121.1	146.3	26.1	-10.6	0	0	0	111.9
17	E	25.2	Very low	28.6	Very low	179 Å²	179	133.6 Å²	133.6	84%	0.836	79%	0.788	S	S	*	*			trans	-78.8	162.3	163.3	-109.9	179.6	159.1	0	0	111.4
18	S	29	Very low	28.8	Very low	102 Å²	102	130.6 Å²	130.6	71%	0.713	78%	0.778	S	S	*	*			trans	-57.3	154.2	178.2	58.3	0	0	0	0	117.7
19	T	29.6	Very low	29.3	Very low	137 Å²	137	130.8 Å²	130.8	84%	0.84	78%	0.784	S	S	*	*			trans	-158.8	113.2	140.3	45.7	0	0	0	0	107.1
20	S	29.2	Very low	29.6	Very low	106 Å²	106	130.6 Å²	130.6	74%	0.741	79%	0.785	S	S	*	*				74.3	139.1	69.4	-169	0	0	0	0	115.9
21	L	28.6	Very low	30.1	Very low	153 Å²	153	137.7 Å²	137.7	80%	0.801	79%	0.793	S	S	*	*			trans	93.2	132	168.5	-56.1	171.6	0	0	0	115.6
22	T	29.1	Very low	30.6	Very low	132 Å²	132	146.1 Å²	146.1	81%	0.81	80%	0.804	S	S	*	*			cis	-163	164.9	4.2	-12.4	0	0	0	0	110.4
23	A	30.5	Very low	31.1	Very low	85 Å²	85	146.8 Å²	146.8	70%	0.702	80%	0.803	S	S	*	*			trans	-68.6	157.8	-177.8	0	0	0	0	0	116.7
24	C	27.8	Very low	31.4	Very low	103 Å²	103	144.6 Å²	144.6	70%	0.696	80%	0.8	S	S	*	*				147.4	117.1	121.9	-80.6	0	0	0	0	111.6
25	H	30.1	Very low	32.1	Very low	183 Å²	183	143 Å²	143	85%	0.847	80%	0.8	S	S	*	*				164.1	121.6	112.4	-88.1	-71	0	0	0	111.3
26	F	32.6	Very low	32.7	Very low	211 Å²	211	149.1 Å²	149.1	93%	0.925	81%	0.812	S	S	*	*			trans	-57.9	138.5	164.3	-88.4	-102.7	0	0	0	110.9
27	S	31.9	Very low	33.4	Very low	127 Å²	127	155 Å²	155	89%	0.888	82%	0.817	S	S	*	*			trans	-141	143.9	153.4	-169.1	0	0	0	0	110.9
28	A	31.9	Very low	34.3	Very low	82 Å²	82	153.3 Å²	153.3	68%	0.678	81%	0.814	S	S	*	*			trans	-98.6	147.2	-157.3	0	0	0	0	0	112.4
29	V	34.9	Very low	35.4	Very low	119 Å²	119	151.5 Å²	151.5	72%	0.721	80%	0.802	S	S	*	*			trans	61.3	123.2	142.9	179.7	0	0	0	0	118
30	H	31.3	Very low	36.4	Very low	193 Å²	193	150.3 Å²	150.3	89%	0.894	80%	0.796	S	S	*	*				-153.9	85.6	117.9	-101.7	60.5	0	0	0	108.6	R32	H30-R32 PolarHBondContact O-N 3.34Å
31	R	36.1	Very low	37.3	Very low	236 Å²	236	154.1 Å²	154.1	89%	0.891	80%	0.796	S	S	*	*			trans	-77	116.9	166.7	-82.6	-172.7	-175.2	-168.4	2.1	108.1	T33	R31-T33 PolarHBondContact O-N 2.75Å
32	R	35.3	Very low	38.5	Very low	247 Å²	247	150.9 Å²	150.9	93%	0.932	79%	0.786	S	S	*	*			trans	-65.7	115	163.8	-74.4	-172.7	164.7	-172.7	-3.8	108.9	H30 C34	H30-R32 PolarHBondContact O-N 3.34Å; R32-C34 PolarHBondContact O-N 3.19Å
33	T	36.4	Very low	39.8	Very low	138 Å²	138	149.6 Å²	149.6	85%	0.847	78%	0.783	S	S	*	*			trans	-75.4	105.6	170.8	37.2	0	0	0	0	109.7	R31	R31-T33 PolarHBondContact O-N 2.75Å
34	C	37.7	Very low	41.2	Very low	112 Å²	112	148.3 Å²	148.3	76%	0.757	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-83.5	140	157.1	-75.7	0	0	0	0	108.8	R32 R36	R32-C34 PolarHBondContact O-N 3.19Å; C34-R36 PolarHBondContact O-N 3.04Å
35	P	42.4	Very low	42.8	Very low	127 Å²	127	147.6 Å²	147.6	83%	0.825	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-67.4	124.8	176.7	4.3	6.6	0	0	0	109.3	R37	P35-R37 PolarHBondContact O-N 2.94Å
36	R	46.5	Very low	44.3	Very low	235 Å²	235	143.3 Å²	143.3	89%	0.887	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-63.7	116.7	169.7	-75.9	-173.1	171.1	-169.9	-2.9	108	C34 N38	C34-R36 PolarHBondContact O-N 3.04Å; R36-N38 PolarHBondContact O-N 3.44Å
37	R	45	Very low	45.8	Very low	247 Å²	247	140.7 Å²	140.7	93%	0.932	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-58.9	122.9	162.9	-94.9	178.7	163.9	171.3	-5	107.6	P35 S39	P35-R37 PolarHBondContact O-N 2.94Å; R37-S39 PolarHBondContact O-N 2.81Å
38	N	45.6	Very low	47	Very low	145 Å²	145	143.4 Å²	143.4	78%	0.775	73%	0.727	S	S	*	*			trans	-63.1	105.8	174.6	-73.7	-18.4	0	0	0	108.9	R36	R36-N38 PolarHBondContact O-N 3.44Å
39	S	50.7	Low	48.1	Very low	64 Å²	64	146 Å²	146	45%	0.448	72%	0.72	S	S	.	*			trans	-60.5	136.8	164.4	165.5	0	0	0	0	108.4	R37 Y41 S42	R37-S39 PolarHBondContact O-N 2.81Å; S39-Y41 PolarHBondContact O-N 3.3Å; S39-Y41 PolarHBondContact OG-N 2.92Å; S39-S42 WeakPolarHBondContact O-CB 3.26Å; S39-S42 PolarHBondContact O-N 3.32Å; S39-S42 PolarHBondContact O-OG 3.18Å
40	P	51.4	Low	49.6	Very low	112 Å²	112	142.5 Å²	142.5	73%	0.727	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	-4.9	176.5	24.5	-31.9	0	0	0	113.5
41	Y	47.4	Very low	51.2	Low	185 Å²	185	136.7 Å²	136.7	73%	0.725	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.9	1.6	175	-75.6	-88.9	0	0	0	114.6	S39 S43 V44	S39-Y41 PolarHBondContact O-N 3.3Å; S39-Y41 PolarHBondContact OG-N 2.92Å; Y41-S43 VanDerWaalsContact C-N 3.26Å; Y41-S43 PolarHBondContact O-N 3.48Å; Y41-V44 HydrophobicContact CD1-CG2 4.07Å; Y41-V44 WeakPolarHBondContact O-CG2 3.38Å; Y41-V44 PolarHBondContact O-N 3.11Å
42	S	53.6	Low	52.6	Low	86 Å²	86	130.5 Å²	130.5	60%	0.601	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	-13.4	-179.4	56.2	0	0	0	0	114.6	S39	S39-S42 WeakPolarHBondContact O-CB 3.26Å; S39-S42 PolarHBondContact O-N 3.32Å; S39-S42 PolarHBondContact O-OG 3.18Å
43	S	57.2	Low	53.9	Low	105 Å²	105	123 Å²	123	73%	0.734	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	5.4	176.4	55.5	0	0	0	0	113.7	Y41 D45	Y41-S43 VanDerWaalsContact C-N 3.26Å; Y41-S43 PolarHBondContact O-N 3.48Å; S43-D45 PolarHBondContact O-N 2.94Å
44	V	60.3	Low	55.3	Low	57 Å²	57	123.1 Å²	123.1	35%	0.345	64%	0.636	S	S	.	*	S	Bend	trans	-81.7	119.4	179.1	-175.3	0	0	0	0	108.5	Y41 S46 Y49	Y41-V44 HydrophobicContact CD1-CG2 4.07Å; Y41-V44 WeakPolarHBondContact O-CG2 3.38Å; Y41-V44 PolarHBondContact O-N 3.11Å; V44-S46 VanDerWaalsContact C-N 3.35Å; V44-S46 PolarHBondContact O-N 2.93Å; V44-Y49 HydrophobicContact CG1-CD2 3.35Å; V44-Y49 HydrophobicContact CG1-CE2 3.2Å; V44-Y49 HydrophobicContact CG1-CG 4.24Å
45	D	60.7	Low	56.6	Low	88 Å²	88	120.9 Å²	120.9	47%	0.471	62%	0.622	S	S	.	*			trans	-56.7	92.9	177.9	-173.9	-9.7	0	0	0	110.6	S43 E47 R48 Y49	S43-D45 PolarHBondContact O-N 2.94Å; D45-E47 PolarHBondContact O-N 2.94Å; D45-E47 PolarHBondContact OD1-N 2.8Å; D45-R48 HydrophobicContact CB-CB 3.92Å; D45-R48 WeakPolarHBondContact O-CB 3.29Å; D45-R48 PolarHBondContact O-N 2.98Å; D45-R48 VanDerWaalsContact O-N 3.1Å; D45-R48 PolarHBondContact OD1-N 3.36Å; D45-Y49 WeakPolarHBondContact O-CD2 3.38Å; D45-Y49 PolarHBondContact O-N 2.84Å
46	S	60.8	Low	57.4	Low	94 Å²	94	118.8 Å²	118.8	66%	0.657	61%	0.607	S	S	*	*	H	α-helix	trans	-62.3	-25.8	-173.3	63.6	0	0	0	0	112.7	V44 S50	V44-S46 VanDerWaalsContact C-N 3.35Å; V44-S46 PolarHBondContact O-N 2.93Å; S46-S50 VanDerWaalsContact O-CB 3.23Å; S46-S50 WeakPolarHBondContact O-CB 3.47Å; S46-S50 PolarHBondContact O-N 2.81Å
47	E	64.1	Low	57.8	Low	156 Å²	156	114.7 Å²	114.7	73%	0.729	60%	0.599	S	S	*	*	H	α-helix	trans	-74.6	-39.9	176.1	-68.4	-170.2	162.9	0	0	111.1	D45 Y49 S50 S51	D45-E47 PolarHBondContact O-N 2.94Å; D45-E47 PolarHBondContact OD1-N 2.8Å; E47-Y49 PolarHBondContact O-N 2.97Å; E47-S50 WeakPolarHBondContact O-CB 3.25Å; E47-S50 PolarHBondContact O-N 2.88Å; E47-S51 PolarHBondContact O-N 3.11Å; E47-S51 VanDerWaalsContact O-N 3.07Å
48	R	56.9	Low	58.2	Low	184 Å²	184	107 Å²	107	69%	0.694	58%	0.583	S	S	*	*	H	α-helix	trans	-63.1	-42.5	176.7	-162.8	174	-174	-174.6	1.5	112	D45 S51 L52	D45-R48 HydrophobicContact CB-CB 3.92Å; D45-R48 WeakPolarHBondContact O-CB 3.29Å; D45-R48 PolarHBondContact O-N 2.98Å; D45-R48 VanDerWaalsContact O-N 3.1Å; D45-R48 PolarHBondContact OD1-N 3.36Å; R48-S51 PolarHBondContact O-N 3.39Å; R48-S51 PolarHBondContact O-OG 3.11Å; R48-L52 PolarHBondContact O-N 2.85Å
49	Y	56.9	Low	58.5	Low	137 Å²	137	103.3 Å²	103.3	54%	0.537	57%	0.569	S	S	.	*	H	α-helix	trans	-74.9	-29.6	175.2	-79.1	-93.7	0	0	0	112.9	V44 D45 E47 S51 L52 V53	V44-Y49 HydrophobicContact CG1-CD2 3.35Å; V44-Y49 HydrophobicContact CG1-CE2 3.2Å; V44-Y49 HydrophobicContact CG1-CG 4.24Å; D45-Y49 WeakPolarHBondContact O-CD2 3.38Å; D45-Y49 PolarHBondContact O-N 2.84Å; E47-Y49 PolarHBondContact O-N 2.97Å; Y49-S51 VanDerWaalsContact C-N 3.29Å; Y49-S51 PolarHBondContact O-N 3.32Å; Y49-L52 PolarHBondContact O-N 3.41Å; Y49-V53 WeakPolarHBondContact O-CB 3.49Å; Y49-V53 VanDerWaalsContact O-CG2 3.3Å; Y49-V53 WeakPolarHBondContact O-CG2 3.45Å; Y49-V53 PolarHBondContact O-N 3.21Å
50	S	65.1	Low	58.2	Low	44 Å²	44	111.8 Å²	111.8	31%	0.308	59%	0.591	S	S	.	*	H	α-helix	trans	-60.2	-40.4	172.3	-175.6	0	0	0	0	111.5	S46 E47 K54	S46-S50 VanDerWaalsContact O-CB 3.23Å; S46-S50 WeakPolarHBondContact O-CB 3.47Å; S46-S50 PolarHBondContact O-N 2.81Å; E47-S50 WeakPolarHBondContact O-CB 3.25Å; E47-S50 PolarHBondContact O-N 2.88Å; S50-K54 VanDerWaalsContact O-CB 3.24Å; S50-K54 WeakPolarHBondContact O-CB 3.34Å; S50-K54 WeakPolarHBondContact O-CG 3.47Å; S50-K54 PolarHBondContact O-N 2.89Å; S50-K54 WeakPolarHBondContact OG-CE 3.37Å
51	S	65.4	Low	58	Low	72 Å²	72	111.4 Å²	111.4	50%	0.503	59%	0.587	S	S	.	*	H	α-helix	trans	-65.3	-38.3	177.1	78.9	0	0	0	0	112.6	E47 R48 Y49 S55	E47-S51 PolarHBondContact O-N 3.11Å; E47-S51 VanDerWaalsContact O-N 3.07Å; R48-S51 PolarHBondContact O-N 3.39Å; R48-S51 PolarHBondContact O-OG 3.11Å; Y49-S51 VanDerWaalsContact C-N 3.29Å; Y49-S51 PolarHBondContact O-N 3.32Å; S51-S55 WeakPolarHBondContact O-CB 3.36Å; S51-S55 PolarHBondContact O-N 3.44Å
52	L	64.7	Low	57.9	Low	106 Å²	106	106.2 Å²	106.2	56%	0.555	58%	0.577	S	S	*	*	H	α-helix	trans	-70.4	-43.8	178.4	-161	82.5	0	0	0	111.2	R48 Y49 S55 V56	R48-L52 PolarHBondContact O-N 2.85Å; Y49-L52 PolarHBondContact O-N 3.41Å; L52-S55 WeakPolarHBondContact O-CB 3.37Å; L52-S55 PolarHBondContact O-N 3.42Å; L52-V56 VanDerWaalsContact O-CG2 3.28Å; L52-V56 WeakPolarHBondContact O-CG2 3.48Å; L52-V56 PolarHBondContact O-N 3.48Å
53	V	62.8	Low	57.5	Low	89 Å²	89	108.1 Å²	108.1	54%	0.539	59%	0.591	S	S	.	*	H	α-helix	trans	-64.2	-45	175.4	172.8	0	0	0	0	110.5	Y49 S55 V56 M57	Y49-V53 WeakPolarHBondContact O-CB 3.49Å; Y49-V53 VanDerWaalsContact O-CG2 3.3Å; Y49-V53 WeakPolarHBondContact O-CG2 3.45Å; Y49-V53 PolarHBondContact O-N 3.21Å; V53-S55 VanDerWaalsContact C-N 3.31Å; V53-S55 PolarHBondContact O-N 3.21Å; V53-V56 PolarHBondContact O-N 3.18Å; V53-M57 HydrophobicContact CG1-CG 4.23Å; V53-M57 VanDerWaalsContact O-CB 3.31Å; V53-M57 WeakPolarHBondContact O-CB 3.27Å; V53-M57 WeakPolarHBondContact O-CG 3.28Å; V53-M57 PolarHBondContact O-N 3.15Å
54	K	65.5	Low	57.1	Low	140 Å²	140	109.2 Å²	109.2	61%	0.609	58%	0.584	S	S	*	*	H	α-helix	trans	-62.5	-38.8	174.1	-75.7	173	179.2	171.4	0	111.7	S50 M57 S58	S50-K54 VanDerWaalsContact O-CB 3.24Å; S50-K54 WeakPolarHBondContact O-CB 3.34Å; S50-K54 WeakPolarHBondContact O-CG 3.47Å; S50-K54 PolarHBondContact O-N 2.89Å; S50-K54 WeakPolarHBondContact OG-CE 3.37Å; K54-M57 PolarHBondContact O-N 3.19Å; K54-S58 WeakPolarHBondContact O-CA 3.41Å; K54-S58 WeakPolarHBondContact O-CB 3.25Å; K54-S58 PolarHBondContact O-N 3.41Å; K54-S58 PolarHBondContact O-OG 2.88Å
55	S	64.8	Low	56.5	Low	66 Å²	66	110.9 Å²	110.9	46%	0.462	59%	0.594	S	S	.	*	H	α-helix	trans	-62.8	-49.4	176.5	-173.5	0	0	0	0	111.2	S51 L52 V53 M57 S58 S59	S51-S55 WeakPolarHBondContact O-CB 3.36Å; S51-S55 PolarHBondContact O-N 3.44Å; L52-S55 WeakPolarHBondContact O-CB 3.37Å; L52-S55 PolarHBondContact O-N 3.42Å; V53-S55 VanDerWaalsContact C-N 3.31Å; V53-S55 PolarHBondContact O-N 3.21Å; S55-M57 VanDerWaalsContact C-N 3.35Å; S55-M57 PolarHBondContact O-N 3.33Å; S55-S58 WeakPolarHBondContact CA-OG 3.36Å; S55-S58 CarbonylContact O-C 3.52Å; S55-S58 PolarHBondContact O-N 3.05Å; S55-S58 VanDerWaalsContact O-N 3.13Å; S55-S58 PolarHBondContact O-OG 3.29Å; S55-S59 WeakPolarHBondContact O-CB 3.47Å; S55-S59 PolarHBondContact O-N 2.94Å; S55-S59 PolarHBondContact O-OG 3.17Å; S55-S59 VanDerWaalsContact O-OG 3.14Å
56	V	59.7	Low	55.9	Low	82 Å²	82	108.2 Å²	108.2	50%	0.497	58%	0.582	S	S	.	*	H	α-helix	trans	-65	-35.2	177.6	173.6	0	0	0	0	112.4	L52 V53 S59	L52-V56 VanDerWaalsContact O-CG2 3.28Å; L52-V56 WeakPolarHBondContact O-CG2 3.48Å; L52-V56 PolarHBondContact O-N 3.48Å; V53-V56 PolarHBondContact O-N 3.18Å; V56-S59 WeakPolarHBondContact CA-OG 3.23Å; V56-S59 PolarHBondContact O-OG 3.21Å
57	M	54.3	Low	55.6	Low	150 Å²	150	113 Å²	113	74%	0.739	59%	0.594	S	S	*	*	H	α-helix	trans	-76.2	-26.1	174	-64.4	-77.1	97.9	0	0	112.8	V53 K54 S55	V53-M57 HydrophobicContact CG1-CG 4.23Å; V53-M57 VanDerWaalsContact O-CB 3.31Å; V53-M57 WeakPolarHBondContact O-CB 3.27Å; V53-M57 WeakPolarHBondContact O-CG 3.28Å; V53-M57 PolarHBondContact O-N 3.15Å; K54-M57 PolarHBondContact O-N 3.19Å; S55-M57 VanDerWaalsContact C-N 3.35Å; S55-M57 PolarHBondContact O-N 3.33Å
58	S	55.2	Low	55.5	Low	85 Å²	85	109.4 Å²	109.4	59%	0.594	58%	0.583	S	S	*	*	H	α-helix	trans	-90.4	-26.1	-179.4	74.3	0	0	0	0	113.5	K54 S55 R60	K54-S58 WeakPolarHBondContact O-CA 3.41Å; K54-S58 WeakPolarHBondContact O-CB 3.25Å; K54-S58 PolarHBondContact O-N 3.41Å; K54-S58 PolarHBondContact O-OG 2.88Å; S55-S58 WeakPolarHBondContact CA-OG 3.36Å; S55-S58 CarbonylContact O-C 3.52Å; S55-S58 PolarHBondContact O-N 3.05Å; S55-S58 VanDerWaalsContact O-N 3.13Å; S55-S58 PolarHBondContact O-OG 3.29Å; S58-R60 VanDerWaalsContact C-N 3.29Å; S58-R60 PolarHBondContact O-N 3.07Å
59	S	50.5	Low	55.3	Low	67 Å²	67	107.5 Å²	107.5	47%	0.469	59%	0.586	S	S	.	*	S	Bend	trans	-68.5	96.4	165.9	55.5	0	0	0	0	106.2	S55 V56 V61	S55-S59 WeakPolarHBondContact O-CB 3.47Å; S55-S59 PolarHBondContact O-N 2.94Å; S55-S59 PolarHBondContact O-OG 3.17Å; S55-S59 VanDerWaalsContact O-OG 3.14Å; V56-S59 WeakPolarHBondContact CA-OG 3.23Å; V56-S59 PolarHBondContact O-OG 3.21Å; S59-V61 VanDerWaalsContact C-N 3.29Å; S59-V61 PolarHBondContact O-N 3.49Å
60	R	45.8	Very low	55.2	Low	242 Å²	242	107.9 Å²	107.9	91%	0.913	59%	0.592	S	S	*	*			trans	-44.2	98.2	169.1	-66.4	178.5	177.5	-178.4	-1.9	108.3	S58 S62	S58-R60 VanDerWaalsContact C-N 3.29Å; S58-R60 PolarHBondContact O-N 3.07Å; R60-S62 PolarHBondContact O-N 3.43Å
61	V	45.4	Very low	55	Low	105 Å²	105	107.5 Å²	107.5	64%	0.636	59%	0.592	S	S	*	*			trans	-54.1	131.2	153.3	-177.5	0	0	0	0	104	S59 T65	S59-V61 VanDerWaalsContact C-N 3.29Å; S59-V61 PolarHBondContact O-N 3.49Å; V61-T65 WeakPolarHBondContact CG1-OG1 3.45Å
62	S	45.5	Very low	54.7	Low	76 Å²	76	108.1 Å²	108.1	53%	0.531	59%	0.587	S	S	.	*			trans	-28.4	142.3	-178.6	-175.8	0	0	0	0	112.7	R60 Q64 T65	R60-S62 PolarHBondContact O-N 3.43Å; S62-Q64 PolarHBondContact O-N 2.81Å; S62-T65 PolarHBondContact O-N 3.49Å
63	S	45.5	Very low	54.4	Low	126 Å²	126	104.7 Å²	104.7	88%	0.881	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	31.3	179.3	51.3	0	0	0	0	115
64	Q	50.1	Low	54.7	Low	128 Å²	128	103.9 Å²	103.9	60%	0.598	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.5	12.2	-174.3	-69.1	-165.7	-25.4	0	0	113.2	S62 P66	S62-Q64 PolarHBondContact O-N 2.81Å; Q64-P66 WeakPolarHBondContact O-CD 3.32Å
65	T	46.3	Very low	54.3	Low	91 Å²	91	102.5 Å²	102.5	56%	0.558	56%	0.557	S	S	*	*			trans	-102	105.6	171.2	-35.6	0	0	0	0	109.2	V61 S62	V61-T65 WeakPolarHBondContact CG1-OG1 3.45Å; S62-T65 PolarHBondContact O-N 3.49Å
66	P	48.2	Very low	54	Low	32 Å²	32	103.9 Å²	103.9	21%	0.208	56%	0.562	C	S	.	*			trans	-76.5	137.4	-172.9	-17.2	35.8	0	0	0	111.2	Q64 T68 A71 E72 H75	Q64-P66 WeakPolarHBondContact O-CD 3.32Å; P66-T68 PolarHBondContact O-N 2.91Å; P66-A71 HydrophobicContact CB-CB 3.54Å; P66-E72 HydrophobicContact CB-CB 4.32Å; P66-E72 HydrophobicContact CB-CG 3.73Å; P66-E72 VanDerWaalsContact CB-N 3.3Å; P66-E72 VanDerWaalsContact CD-CG 3.44Å; P66-E72 HydrophobicContact CG-CB 4.16Å; P66-E72 HydrophobicContact CG-CG 3.4Å; P66-E72 VanDerWaalsContact CG-CG 3.4Å; P66-H75 HydrophobicContact CG-CB 4.35Å
67	E	54.3	Low	54	Low	194 Å²	194	104.9 Å²	104.9	91%	0.907	56%	0.558	S	S	*	*	S	Bend	trans	-72.2	-10.3	-172.6	-63.5	-176.8	163.8	0	0	113.9
68	T	62.9	Low	54.4	Low	82 Å²	82	98.9 Å²	98.9	50%	0.503	54%	0.535	S	S	.	.	S	Bend	trans	-141.7	150.5	177.1	60.2	0	0	0	0	110.2	P66 Q70 A71 E72	P66-T68 PolarHBondContact O-N 2.91Å; T68-Q70 PolarHBondContact O-N 2.95Å; T68-Q70 VanDerWaalsContact O-N 3.08Å; T68-A71 WeakPolarHBondContact O-CA 3.38Å; T68-A71 WeakPolarHBondContact O-CB 3.45Å; T68-A71 PolarHBondContact O-N 3.28Å; T68-A71 WeakPolarHBondContact OG1-CB 3.43Å; T68-A71 PolarHBondContact OG1-N 2.96Å; T68-A71 VanDerWaalsContact OG1-N 3.14Å; T68-E72 PolarHBondContact O-N 2.81Å
69	L	52.6	Low	54.7	Low	143 Å²	143	99.4 Å²	99.4	75%	0.749	54%	0.536	S	S	*	.	H	α-helix	trans	-54.4	-28.1	172.5	-72.1	171.2	0	0	0	112.5	D73	L69-D73 WeakPolarHBondContact O-CB 3.48Å; L69-D73 PolarHBondContact O-N 2.81Å
70	Q	54.7	Low	55	Low	145 Å²	145	99.7 Å²	99.7	68%	0.678	54%	0.535	S	S	*	.	H	α-helix	trans	-72.9	-37.4	175.5	-171.3	160	1.4	0	0	112.5	T68 D73 D74	T68-Q70 PolarHBondContact O-N 2.95Å; T68-Q70 VanDerWaalsContact O-N 3.08Å; Q70-D73 WeakPolarHBondContact O-CB 3.28Å; Q70-D73 PolarHBondContact O-N 3.4Å; Q70-D74 PolarHBondContact O-N 2.83Å
71	A	60.5	Low	55.5	Low	36 Å²	36	94.1 Å²	94.1	30%	0.298	53%	0.528	S	S	.	.	H	α-helix	trans	-71.3	-29.9	173.4	0	0	0	0	0	112.1	P66 T68 H75	P66-A71 HydrophobicContact CB-CB 3.54Å; T68-A71 WeakPolarHBondContact O-CA 3.38Å; T68-A71 WeakPolarHBondContact O-CB 3.45Å; T68-A71 PolarHBondContact O-N 3.28Å; T68-A71 WeakPolarHBondContact OG1-CB 3.43Å; T68-A71 PolarHBondContact OG1-N 2.96Å; T68-A71 VanDerWaalsContact OG1-N 3.14Å; A71-H75 VanDerWaalsContact O-CB 3.22Å; A71-H75 WeakPolarHBondContact O-CB 2.99Å; A71-H75 PolarHBondContact O-N 3.26Å
72	E	58.9	Low	55.8	Low	85 Å²	85	97.3 Å²	97.3	40%	0.397	53%	0.533	S	S	.	.	H	α-helix	trans	-64	-46.5	165.6	-86.3	-174.1	160.6	0	0	111.3	P66 T68 D74 H75 V76	P66-E72 HydrophobicContact CB-CB 4.32Å; P66-E72 HydrophobicContact CB-CG 3.73Å; P66-E72 VanDerWaalsContact CB-N 3.3Å; P66-E72 VanDerWaalsContact CD-CG 3.44Å; P66-E72 HydrophobicContact CG-CB 4.16Å; P66-E72 HydrophobicContact CG-CG 3.4Å; P66-E72 VanDerWaalsContact CG-CG 3.4Å; T68-E72 PolarHBondContact O-N 2.81Å; E72-D74 VanDerWaalsContact C-N 3.33Å; E72-D74 PolarHBondContact O-N 3.44Å; E72-H75 PolarHBondContact O-N 2.89Å; E72-V76 WeakPolarHBondContact O-CB 3.42Å; E72-V76 VanDerWaalsContact O-CG2 3.25Å; E72-V76 WeakPolarHBondContact O-CG2 3.46Å; E72-V76 PolarHBondContact O-N 3.01Å
73	D	59.9	Low	55.8	Low	34 Å²	34	97.6 Å²	97.6	18%	0.182	54%	0.54	C	S	.	.	H	α-helix	trans	-59.8	-42.1	178.2	-114.4	42.5	0	0	0	112.1	L69 Q70 Y77 R152 R156	L69-D73 WeakPolarHBondContact O-CB 3.48Å; L69-D73 PolarHBondContact O-N 2.81Å; Q70-D73 WeakPolarHBondContact O-CB 3.28Å; Q70-D73 PolarHBondContact O-N 3.4Å; D73-Y77 WeakPolarHBondContact O-CB 3.47Å; D73-Y77 PolarHBondContact O-N 3.07Å; D73-R152 IonicContact OD2-NH2 2.65Å; D73-R152 PolarHBondContact OD2-NH2 3.06Å; D73-R152 VanDerWaalsContact OD2-NH2 3.17Å; D73-R156 IonicContact OD2-CZ 2.93Å; D73-R156 IonicContact OD2-NE 3.99Å; D73-R156 IonicContact OD2-NH2 2.72Å; D73-R156 PolarHBondContact OD2-NH2 2.6Å
74	D	68.6	Low	55.6	Low	73 Å²	73	101 Å²	101	39%	0.39	54%	0.542	S	S	.	.	H	α-helix	trans	-71.4	-32.1	177.1	-73.8	-21.1	0	0	0	112.4	Q70 E72 G78	Q70-D74 PolarHBondContact O-N 2.83Å; E72-D74 VanDerWaalsContact C-N 3.33Å; E72-D74 PolarHBondContact O-N 3.44Å; D74-G78 CarbonylContact O-C 3.6Å; D74-G78 WeakPolarHBondContact O-CA 3.16Å; D74-G78 PolarHBondContact O-N 3.4Å
75	H	57.4	Low	55.2	Low	111 Å²	111	101.6 Å²	101.6	51%	0.514	55%	0.546	S	S	.	.	H	α-helix	trans	-75.7	-39	177.5	-168.4	69.9	0	0	0	112.5	P66 A71 E72	P66-H75 HydrophobicContact CG-CB 4.35Å; A71-H75 VanDerWaalsContact O-CB 3.22Å; A71-H75 WeakPolarHBondContact O-CB 2.99Å; A71-H75 PolarHBondContact O-N 3.26Å; E72-H75 PolarHBondContact O-N 2.89Å
76	V	58	Low	54.9	Low	94 Å²	94	102.4 Å²	102.4	57%	0.57	55%	0.553	S	S	*	*	H	α-helix	trans	-83.2	-37.4	-176.9	176.6	0	0	0	0	111.8	E72	E72-V76 WeakPolarHBondContact O-CB 3.42Å; E72-V76 VanDerWaalsContact O-CG2 3.25Å; E72-V76 WeakPolarHBondContact O-CG2 3.46Å; E72-V76 PolarHBondContact O-N 3.01Å
77	Y	60.3	Low	54.5	Low	103 Å²	103	106.1 Å²	106.1	40%	0.404	58%	0.58	S	S	.	*	H	α-helix	trans	-115	-3.8	-173.6	-57.6	-72	0	0	0	114.3	D73	D73-Y77 WeakPolarHBondContact O-CB 3.47Å; D73-Y77 PolarHBondContact O-N 3.07Å
78	G	62.9	Low	54	Low	25 Å²	25	107.8 Å²	107.8	26%	0.258	58%	0.578	S	S	.	*			trans	75.4	158.8	-175.9	0	0	0	0	0	113.2	D74	D74-G78 CarbonylContact O-C 3.6Å; D74-G78 WeakPolarHBondContact O-CA 3.16Å; D74-G78 PolarHBondContact O-N 3.4Å
79	P	60.6	Low	53.1	Low	95 Å²	95	109.3 Å²	109.3	62%	0.617	59%	0.587	S	S	*	*			trans	-61.3	138.4	171.3	24.5	-31.5	0	0	0	110	V81	P79-V81 VanDerWaalsContact C-N 3.33Å; P79-V81 PolarHBondContact O-N 3.26Å
80	V	56.9	Low	53	Low	74 Å²	74	111 Å²	111	45%	0.448	59%	0.591	S	S	.	*			trans	-67.6	93.4	173.6	-179.8	0	0	0	0	108.5	K82	V80-K82 HydrophobicContact CG1-CG 4.37Å; V80-K82 PolarHBondContact O-N 2.7Å
81	V	56	Low	53.2	Low	124 Å²	124	112.6 Å²	112.6	75%	0.752	60%	0.599	S	S	*	*			trans	-74.8	95	169.7	-175.2	0	0	0	0	107.1	P79 A83	P79-V81 VanDerWaalsContact C-N 3.33Å; P79-V81 PolarHBondContact O-N 3.26Å; V81-A83 PolarHBondContact O-N 3.14Å
82	K	51.7	Low	54.1	Low	173 Å²	173	115.6 Å²	115.6	75%	0.752	60%	0.602	S	S	*	*			trans	-62.8	102.2	163.8	-72.5	-175.2	178.5	-177.6	0	107	V80 Q84	V80-K82 HydrophobicContact CG1-CG 4.37Å; V80-K82 PolarHBondContact O-N 2.7Å; K82-Q84 PolarHBondContact O-N 3.18Å
83	A	44.7	Very low	55.2	Low	82 Å²	82	117.7 Å²	117.7	68%	0.678	62%	0.615	S	S	*	*			trans	-54.5	141.5	169.7	0	0	0	0	0	109.1	V81 M85	V81-A83 PolarHBondContact O-N 3.14Å; A83-M85 PolarHBondContact O-N 3.32Å
84	Q	43.2	Very low	56.4	Low	198 Å²	198	116.5 Å²	116.5	93%	0.925	61%	0.61	S	S	*	*			trans	-57.5	116	176.6	-134	172.2	-2.3	0	0	108.5	K82	K82-Q84 PolarHBondContact O-N 3.18Å
85	M	39.6	Very low	57.2	Low	140 Å²	140	119.9 Å²	119.9	69%	0.69	62%	0.621	S	S	*	*			trans	-54.3	134.3	179.7	-74.4	-89.3	-46.3	0	0	110.7	A83 S87	A83-M85 PolarHBondContact O-N 3.32Å; M85-S87 PolarHBondContact O-N 2.74Å
86	P	40.5	Very low	58.3	Low	108 Å²	108	118.5 Å²	118.5	70%	0.701	62%	0.62	S	S	*	*			trans	-54.8	133.8	152.2	-14.5	28	0	0	0	107.6	R88	P86-R88 PolarHBondContact O-N 3.19Å
87	S	41.3	Very low	59.5	Low	110 Å²	110	120.2 Å²	120.2	77%	0.769	63%	0.626	S	S	*	*	S	Bend	trans	-38.6	127.9	178	52	0	0	0	0	112	M85 T89	M85-S87 PolarHBondContact O-N 2.74Å; S87-T89 PolarHBondContact O-N 3Å
88	R	42.6	Very low	60.8	Low	229 Å²	229	117.8 Å²	117.8	86%	0.864	62%	0.618	S	S	*	*			trans	13	85.6	164	-167.9	179.1	-178	-175.8	-0	112.2	P86 E90	P86-R88 PolarHBondContact O-N 3.19Å; R88-E90 PolarHBondContact O-N 3.16Å
89	T	45.2	Very low	62.2	Low	113 Å²	113	121.2 Å²	121.2	69%	0.693	64%	0.635	S	S	*	*			trans	-45.9	117.8	174.1	-33.7	0	0	0	0	107.2	S87 Q91	S87-T89 PolarHBondContact O-N 3Å; T89-Q91 PolarHBondContact O-N 3.38Å; T89-Q91 VanDerWaalsContact O-N 3.13Å
90	E	49.7	Very low	63.6	Low	179 Å²	179	117.3 Å²	117.3	84%	0.836	61%	0.609	S	S	*	*			trans	-48.3	127.4	174.8	-71.1	-175.3	160.1	0	0	107.4	R88 R92	R88-E90 PolarHBondContact O-N 3.16Å; E90-R92 VanDerWaalsContact C-N 3.32Å; E90-R92 PolarHBondContact O-N 3.26Å
91	Q	58.6	Low	65.3	Low	178 Å²	178	115.6 Å²	115.6	83%	0.832	60%	0.597	S	S	*	*			trans	-61.7	101.6	178.1	-80.2	178.3	-32	0	0	106.8	T89 L93	T89-Q91 PolarHBondContact O-N 3.38Å; T89-Q91 VanDerWaalsContact O-N 3.13Å; Q91-L93 PolarHBondContact O-N 2.97Å; Q91-L93 VanDerWaalsContact O-N 3.09Å
92	R	78.5	Confident	66.6	Low	100 Å²	100	112.6 Å²	112.6	38%	0.377	58%	0.576	S	S	.	*	P	Polyproline II helix	trans	-49.6	120.8	173.4	176.9	178.4	172.1	-176.8	-3.1	107	E90 I330 E333 D334 E337	E90-R92 VanDerWaalsContact C-N 3.32Å; E90-R92 PolarHBondContact O-N 3.26Å; R92-I330 WeakPolarHBondContact O-CD1 3.32Å; R92-E333 IonicContact NH2-OE2 2.73Å; R92-D334 IonicContact CZ-OD1 3.1Å; R92-D334 IonicContact NH1-OD1 3.93Å; R92-D334 PolarHBondContact NH1-OD1 2.94Å; R92-D334 IonicContact NH2-OD1 3.65Å; R92-E337 IonicContact NH2-OE1 3.51Å; R92-E337 PolarHBondContact NH2-OE1 3.16Å; R92-E337 IonicContact NH2-OE2 3.19Å
93	L	84	Confident	67.9	Low	128 Å²	128	109.9 Å²	109.9	67%	0.67	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-82.1	150.6	173.2	-68.7	172.4	0	0	0	109.2	Q91 K95	Q91-L93 PolarHBondContact O-N 2.97Å; Q91-L93 VanDerWaalsContact O-N 3.09Å; L93-K95 PolarHBondContact O-N 2.86Å
94	P	85	Confident	69.2	Low	10 Å²	10	114.7 Å²	114.7	7%	0.065	59%	0.588	C	S	.	*	P	Polyproline II helix	trans	-54.1	134.1	169.5	-20.1	29.8	0	0	0	109.9	T96 L97 K326 L329 I330	P94-T96 PolarHBondContact O-N 3.31Å; P94-L97 HydrophobicContact CB-CD2 4.39Å; P94-L97 HydrophobicContact CG-CD2 4.34Å; P94-K326 HydrophobicContact CG-CB 4.18Å; P94-L329 HydrophobicContact CB-CB 3.89Å; P94-L329 HydrophobicContact CB-CD1 4.22Å; P94-L329 HydrophobicContact CG-CB 3.91Å; P94-L329 HydrophobicContact CG-CD1 4.18Å; P94-I330 HydrophobicContact CG-CG1 4.06Å
95	K	83.8	Confident	70.4	Confident	144 Å²	144	107.7 Å²	107.7	63%	0.626	55%	0.553	S	S	*	*	S	Bend	trans	-63	-36.7	174.7	-67.1	174.2	178	176.3	0	110.7	L93 E333 E337	L93-K95 PolarHBondContact O-N 2.86Å; K95-E333 WeakPolarHBondContact CG-OE2 3.31Å; K95-E333 PolarHBondContact N-OE1 3.23Å; K95-E333 PolarHBondContact N-OE2 3.16Å; K95-E337 IonicContact NZ-OE1 2.7Å; K95-E337 PolarHBondContact NZ-OE1 3.27Å
96	T	81.3	Confident	71.3	Confident	81 Å²	81	107.2 Å²	107.2	50%	0.497	56%	0.558	S	S	.	*	S	Bend	trans	-119.7	116.2	175.5	-51.8	0	0	0	0	110	P94 H98 E333	P94-T96 PolarHBondContact O-N 3.31Å; T96-H98 WeakPolarHBondContact CG2-NE2 3.49Å; T96-H98 PolarHBondContact O-N 3.28Å; T96-E333 PolarHBondContact N-OE1 2.94Å
97	L	83.6	Confident	72.4	Confident	131 Å²	131	105 Å²	105	69%	0.686	54%	0.542	S	S	*	.			trans	-74.6	123.9	171.9	-64.7	177	0	0	0	109.5	P94	P94-L97 HydrophobicContact CB-CD2 4.39Å; P94-L97 HydrophobicContact CG-CD2 4.34Å
98	H	87.9	Confident	73	Confident	52 Å²	52	103.7 Å²	103.7	24%	0.241	52%	0.524	C	S	.	.			trans	-114.2	131.7	167.1	-76.8	-85.2	0	0	0	108.5	T96 L238 W325 L329	T96-H98 WeakPolarHBondContact CG2-NE2 3.49Å; T96-H98 PolarHBondContact O-N 3.28Å; H98-L238 HydrophobicContact CB-CD1 4.15Å; H98-L238 VanDerWaalsContact CD2-CD2 3.41Å; H98-L238 WeakPolarHBondContact CD2-CD2 3.44Å; H98-L238 WeakPolarHBondContact NE2-CD2 3.42Å; H98-W325 HydrophobicContact CB-CZ2 4.22Å; H98-W325 PolarHBondContact O-NE1 3.29Å; H98-L329 HydrophobicContact CB-CD1 4.27Å; H98-L329 HydrophobicContact CB-CD2 4.21Å
99	P	90.8	Very high	73.3	Confident	96 Å²	96	98.7 Å²	98.7	62%	0.623	52%	0.519	S	S	*	.			trans	-66.5	140.8	-178	28.7	-34.8	0	0	0	110.5
100	F	91.8	Very high	73.5	Confident	14 Å²	14	101.6 Å²	101.6	6%	0.061	53%	0.525	C	S	.	.	S	Bend	trans	-75.2	-36	177	179.7	-121.7	0	0	0	112.1	A283 N287 M321 W325	F100-A283 HydrophobicContact CE2-CB 3.67Å; F100-A283 HydrophobicContact CZ-CB 3.64Å; F100-N287 PolarHBondContact O-ND2 3.48Å; F100-N287 VanDerWaalsContact O-ND2 3.07Å; F100-M321 HydrophobicContact CE1-CB 3.94Å; F100-M321 HydrophobicContact CE2-CE 4.3Å; F100-M321 HydrophobicContact CZ-CB 3.99Å; F100-M321 HydrophobicContact CZ-CE 3.68Å; F100-W325 HydrophobicContact CB-CB 4.48Å; F100-W325 HydrophobicContact CB-CG 4.02Å; F100-W325 HydrophobicContact CD2-CB 3.84Å; F100-W325 AromaticContact CD2-CD2 3.85Å; F100-W325 HydrophobicContact CD2-CD2 3.85Å; F100-W325 HydrophobicContact CD2-CE3 4.13Å; F100-W325 AromaticContact CD2-CG 3.7Å; F100-W325 HydrophobicContact CD2-CG 3.7Å; F100-W325 HydrophobicContact CE2-CB 4.44Å; F100-W325 HydrophobicContact CG-CB 4.3Å; F100-W325 HydrophobicContact CG-CG 4.19Å
101	I	90.9	Very high	73.6	Confident	38 Å²	38	95.9 Å²	95.9	20%	0.195	50%	0.498	C	S	.	.	S	Bend	trans	-113.8	134.6	176.1	-61.2	-64.7	0	0	0	108.8	S103 N287 Q295 E297	I101-S103 PolarHBondContact O-N 3.11Å; I101-N287 WeakPolarHBondContact CD1-ND2 3.4Å; I101-Q295 HydrophobicContact CD1-CB 4.46Å; I101-E297 HydrophobicContact CD1-CB 4.49Å; I101-E297 HydrophobicContact CD1-CG 3.35Å; I101-E297 HydrophobicContact CG1-CG 3.87Å
102	N	84.3	Confident	73.2	Confident	60 Å²	60	92 Å²	92	32%	0.321	49%	0.488	S	S	.	.			trans	-93.4	98.7	176	-178.8	-0.6	0	0	0	109.5	E104 R105 Q295	N102-E104 PolarHBondContact O-N 3.23Å; N102-E104 PolarHBondContact OD1-N 2.75Å; N102-E104 VanDerWaalsContact OD1-N 3.11Å; N102-R105 HydrophobicContact CB-CB 4.36Å; N102-R105 WeakPolarHBondContact O-CB 3.43Å; N102-R105 PolarHBondContact O-N 3.22Å; N102-Q295 VanDerWaalsContact CB-NE2 3.32Å; N102-Q295 PolarHBondContact O-NE2 3.13Å; N102-Q295 PolarHBondContact O-OE1 3.48Å
103	S	79.2	Confident	72.2	Confident	117 Å²	117	94.3 Å²	94.3	82%	0.818	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-19.8	-179.5	-52.3	0	0	0	0	114.3	I101 R105	I101-S103 PolarHBondContact O-N 3.11Å; S103-R105 VanDerWaalsContact C-N 3.28Å
104	E	71.8	Confident	70.8	Confident	182 Å²	182	92.7 Å²	92.7	85%	0.85	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-9.1	179.1	-60.4	-176.9	169.3	0	0	112.5	N102	N102-E104 PolarHBondContact O-N 3.23Å; N102-E104 PolarHBondContact OD1-N 2.75Å; N102-E104 VanDerWaalsContact OD1-N 3.11Å
105	R	69.3	Low	70	Confident	52 Å²	52	94.2 Å²	94.2	20%	0.196	53%	0.526	C	S	.	.	S	Bend	trans	-85.5	121	179.3	-161.8	176.2	-166	165.9	5.9	109.5	N102 S103 V107 N287 D289 G290 Y292	N102-R105 HydrophobicContact CB-CB 4.36Å; N102-R105 WeakPolarHBondContact O-CB 3.43Å; N102-R105 PolarHBondContact O-N 3.22Å; S103-R105 VanDerWaalsContact C-N 3.28Å; R105-V107 PolarHBondContact O-N 3.12Å; R105-N287 PolarHBondContact NH1-O 3.45Å; R105-D289 VanDerWaalsContact CZ-O 3.24Å; R105-D289 PolarHBondContact NH1-O 3.26Å; R105-D289 PolarHBondContact NH2-O 3.23Å; R105-G290 VanDerWaalsContact NH2-CA 3.25Å; R105-G290 PolarHBondContact NH2-O 3.17Å; R105-Y292 PolarHBondContact NH1-O 3.33Å; R105-Y292 VanDerWaalsContact NH1-O 3.14Å; R105-Y292 PolarHBondContact NH2-O 2.93Å
106	T	58.6	Low	69.7	Low	129 Å²	129	93 Å²	93	79%	0.791	53%	0.533	S	S	*	.			trans	-62	104.5	169.3	-42.4	0	0	0	0	108.4	E108	T106-E108 PolarHBondContact O-N 3.13Å
107	V	61.6	Low	70	Confident	62 Å²	62	90.3 Å²	90.3	38%	0.376	52%	0.517	S	S	.	.			trans	-72.8	117.5	170.7	-178.5	0	0	0	0	106.2	R105 T109 Q295	R105-V107 PolarHBondContact O-N 3.12Å; V107-T109 VanDerWaalsContact C-N 3.32Å; V107-T109 PolarHBondContact O-N 2.74Å; V107-Q295 HydrophobicContact CG2-CG 4.4Å
108	E	55.2	Low	70.2	Confident	82 Å²	82	85.8 Å²	85.8	38%	0.383	50%	0.498	S	S	.	.			trans	-66.4	101	165.9	-69.6	-171.5	-152.7	0	0	106.5	T106 E110 E111 K293	T106-E108 PolarHBondContact O-N 3.13Å; E108-E110 PolarHBondContact O-N 3.16Å; E108-E111 HydrophobicContact CB-CG 4.08Å; E108-K293 IonicContact OE1-NZ 2.7Å; E108-K293 PolarHBondContact OE1-NZ 3.09Å; E108-K293 IonicContact OE2-NZ 2.63Å
109	T	47.5	Very low	70.3	Confident	125 Å²	125	89.9 Å²	89.9	77%	0.767	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-24	-174.6	-43.6	0	0	0	0	111.9	V107	V107-T109 VanDerWaalsContact C-N 3.32Å; V107-T109 PolarHBondContact O-N 2.74Å
110	E	49.5	Very low	70.2	Confident	173 Å²	173	87.6 Å²	87.6	81%	0.808	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145.8	69.5	-178.5	-59.9	-167.3	176.4	0	0	110.3	E108	E108-E110 PolarHBondContact O-N 3.16Å
111	E	51.6	Low	70.1	Confident	60 Å²	60	93.3 Å²	93.3	28%	0.28	52%	0.524	S	S	.	.			trans	-56.2	134	155.6	-89.4	-95.9	157	0	0	107.4	E108 E113 K293	E108-E111 HydrophobicContact CB-CG 4.08Å; E111-E113 PolarHBondContact O-N 3.25Å; E111-K293 WeakPolarHBondContact OE1-CD 3.5Å; E111-K293 IonicContact OE1-NZ 3.68Å; E111-K293 PolarHBondContact OE1-NZ 2.96Å
112	P	51.3	Low	69.6	Low	96 Å²	96	94.2 Å²	94.2	62%	0.623	53%	0.529	S	S	*	.			trans	-54.2	129.1	-179.1	-20	29	0	0	0	109.4	A114	P112-A114 PolarHBondContact O-N 3.08Å
113	E	56.6	Low	68.9	Low	149 Å²	149	98 Å²	98	70%	0.696	55%	0.549	S	S	*	.	S	Bend	trans	-59.3	-6.4	171.2	-63.5	-167.9	151	0	0	112.6	E111	E111-E113 PolarHBondContact O-N 3.25Å
114	A	55.6	Low	68.3	Low	93 Å²	93	101.4 Å²	101.4	77%	0.769	54%	0.544	S	S	*	.			trans	-100.3	86.8	-177.4	0	0	0	0	0	111.2	P112	P112-A114 PolarHBondContact O-N 3.08Å
115	G	67.4	Low	67.6	Low	42 Å²	42	94.3 Å²	94.3	43%	0.433	52%	0.52	S	S	.	.	S	Bend	trans	-169.6	149.2	168.3	0	0	0	0	0	110.3
116	P	78.6	Confident	67	Low	119 Å²	119	102.6 Å²	102.6	77%	0.773	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-60.6	144.7	175.1	27.2	-33.9	0	0	0	109.8	A118	P116-A118 PolarHBondContact O-N 3.39Å
117	P	86.4	Confident	66.8	Low	24 Å²	24	102.2 Å²	102.2	16%	0.156	56%	0.56	C	S	.	*	P	Polyproline II helix	trans	-58.9	139.9	-178.6	22.7	-32.2	0	0	0	111.1	R119 V226 I229	P117-R119 PolarHBondContact O-N 3.38Å; P117-V226 HydrophobicContact CB-CG1 4.08Å; P117-I229 HydrophobicContact CB-CD1 4Å; P117-I229 HydrophobicContact CB-CG1 3.9Å; P117-I229 HydrophobicContact CG-CD1 3.61Å; P117-I229 HydrophobicContact CG-CG1 4.08Å
118	A	88.1	Confident	66.8	Low	36 Å²	36	107.7 Å²	107.7	30%	0.298	57%	0.574	S	S	.	*	B	Isolated β-bridge	trans	-62.1	134.6	177.7	0	0	0	0	0	111.1	P116 R227 A228 I229	P116-A118 PolarHBondContact O-N 3.39Å; A118-R227 WeakPolarHBondContact CB-O 3.29Å; A118-R227 PolarHBondContact N-O 2.95Å; A118-A228 HydrophobicContact CB-CB 4.14Å; A118-A228 VanDerWaalsContact O-CA 3.24Å; A118-A228 WeakPolarHBondContact O-CA 3.43Å; A118-I229 PolarHBondContact O-N 2.8Å; A118-I229 VanDerWaalsContact O-N 3.08Å
119	R	90.2	Very high	67.5	Low	138 Å²	138	109 Å²	109	52%	0.521	59%	0.59	S	S	.	*			trans	-134.7	80.3	176.7	-169.8	-178.5	-173.5	161.4	14	110.4	P117 L121 E185	P117-R119 PolarHBondContact O-N 3.38Å; R119-L121 PolarHBondContact O-N 2.97Å; R119-E185 IonicContact CZ-OE1 3.51Å; R119-E185 IonicContact CZ-OE2 3.17Å; R119-E185 IonicContact NE-OE1 3.24Å; R119-E185 IonicContact NH1-OE1 3.52Å; R119-E185 PolarHBondContact NH1-OE1 3.25Å; R119-E185 VanDerWaalsContact NH2-CD 3.27Å; R119-E185 IonicContact NH2-OE1 3.28Å; R119-E185 PolarHBondContact NH2-OE1 3.03Å; R119-E185 IonicContact NH2-OE2 3.94Å; R119-E185 PolarHBondContact NH2-OE2 2.74Å; R119-E185 VanDerWaalsContact NH2-OE2 3.1Å
120	I	89.8	Confident	69.2	Low	48 Å²	48	108.2 Å²	108.2	25%	0.246	58%	0.576	C	S	.	*			trans	-81	118.3	179.7	-55.4	-179.9	0	0	0	108.6	S231 S232 N291 Y292	I120-S231 PolarHBondContact N-OG 3.5Å; I120-S232 WeakPolarHBondContact O-CB 3.23Å; I120-S232 PolarHBondContact O-N 3.15Å; I120-N291 HydrophobicContact CD1-CB 3.42Å; I120-N291 VanDerWaalsContact CD1-CB 3.42Å; I120-Y292 HydrophobicContact CD1-CD2 4.43Å; I120-Y292 HydrophobicContact CD1-CE1 4.3Å; I120-Y292 HydrophobicContact CD1-CE2 3.74Å
121	L	88.3	Confident	71.2	Confident	135 Å²	135	101.7 Å²	101.7	71%	0.707	55%	0.546	S	S	*	.			trans	-76.2	136.3	178.6	-62	177.2	0	0	0	111.3	R119 N123	R119-L121 PolarHBondContact O-N 2.97Å; L121-N123 PolarHBondContact O-N 3.42Å; L121-N123 VanDerWaalsContact O-N 3.08Å
122	L	80.7	Confident	73.3	Confident	57 Å²	57	99.4 Å²	99.4	30%	0.298	54%	0.536	S	S	.	.			trans	-65.2	107.1	172.1	-83.8	173.8	0	0	0	110.9	R124 S232 L241 I243	L122-R124 PolarHBondContact O-N 3.24Å; L122-S232 WeakPolarHBondContact CD2-OG 3.46Å; L122-L241 HydrophobicContact CD2-CD1 3.94Å; L122-L241 HydrophobicContact CD2-CD2 4.29Å; L122-I243 HydrophobicContact CD1-CD1 3.43Å; L122-I243 VanDerWaalsContact CD1-CD1 3.43Å; L122-I243 HydrophobicContact CD1-CG1 3.3Å; L122-I243 HydrophobicContact CG-CD1 4.45Å; L122-I243 HydrophobicContact CG-CG1 4.07Å
123	N	70.6	Confident	75.4	Confident	140 Å²	140	96 Å²	96	75%	0.749	52%	0.515	S	S	*	.			trans	-93.5	96.9	175	-163.2	-12.3	0	0	0	111.5	L121 G125	L121-N123 PolarHBondContact O-N 3.42Å; L121-N123 VanDerWaalsContact O-N 3.08Å; N123-G125 VanDerWaalsContact C-N 3.31Å; N123-G125 PolarHBondContact O-N 2.79Å; N123-G125 VanDerWaalsContact O-N 3.13Å
124	R	65.8	Low	77.4	Confident	187 Å²	187	88.9 Å²	88.9	71%	0.706	48%	0.482	S	S	*	.			trans	-83.2	76	169.5	-68.9	-174.8	-178.4	178.2	3	109.8	L122	L122-R124 PolarHBondContact O-N 3.24Å
125	G	57.8	Low	79.3	Confident	33 Å²	33	87.2 Å²	87.2	34%	0.34	46%	0.462	S	S	.	.			trans	-59.9	139.6	175.2	0	0	0	0	0	111.9	N123 S127 R128	N123-G125 VanDerWaalsContact C-N 3.31Å; N123-G125 PolarHBondContact O-N 2.79Å; N123-G125 VanDerWaalsContact O-N 3.13Å; G125-S127 PolarHBondContact O-N 2.95Å; G125-R128 PolarHBondContact O-N 3.17Å
126	K	56.5	Low	80.7	Confident	226 Å²	226	89.8 Å²	89.8	98%	0.983	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-7.7	-176.8	-65.5	-178.5	179.5	178.7	0	115.3
127	S	54.6	Low	81.6	Confident	122 Å²	122	84.1 Å²	84.1	85%	0.853	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.2	2.6	-172	-164.9	0	0	0	0	114.1	G125	G125-S127 PolarHBondContact O-N 2.95Å
128	R	60.6	Low	82.2	Confident	177 Å²	177	83.4 Å²	83.4	67%	0.668	42%	0.416	S	S	*	.	S	Bend	trans	-96.2	146.9	-179	-71.5	-173.1	-179.5	-177.3	0.1	111.7	G125	G125-R128 PolarHBondContact O-N 3.17Å
129	P	69.7	Low	82.5	Confident	109 Å²	109	88.2 Å²	88.2	71%	0.708	43%	0.433	S	S	*	.			trans	-56.1	145.2	171.9	23.8	-32.6	0	0	0	110.4	I131	P129-I131 PolarHBondContact O-N 2.9Å
130	F	84.3	Confident	82.8	Confident	109 Å²	109	86.1 Å²	86.1	48%	0.478	43%	0.429	S	S	.	.			trans	-63.8	107.4	179.9	178.4	-94.3	0	0	0	110.6	P132	F130-P132 HydrophobicContact CE1-CB 4.37Å
131	I	90.9	Very high	83.1	Confident	35 Å²	35	84.2 Å²	84.2	18%	0.179	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-90.2	121	174.2	-58.2	178.4	0	0	0	108.5	P129 L241	P129-I131 PolarHBondContact O-N 2.9Å; I131-L241 HydrophobicContact CB-CD2 3.89Å; I131-L241 HydrophobicContact CB-CG 4.43Å; I131-L241 HydrophobicContact CG2-CB 4.21Å; I131-L241 HydrophobicContact CG2-CD2 3.81Å; I131-L241 HydrophobicContact CG2-CG 3.88Å
132	P	95.1	Very high	83.3	Confident	12 Å²	12	79.7 Å²	79.7	8%	0.078	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-70.8	148.1	-179.4	31	-37.3	0	0	0	112.4	F130 I137 N239 Y240 L241 Y335	F130-P132 HydrophobicContact CE1-CB 4.37Å; P132-I137 HydrophobicContact CB-CD1 4Å; P132-I137 HydrophobicContact CB-CG1 3.96Å; P132-I137 HydrophobicContact CG-CD1 3.81Å; P132-I137 HydrophobicContact CG-CG1 4.18Å; P132-N239 WeakPolarHBondContact CD-O 3.47Å; P132-Y240 WeakPolarHBondContact O-CA 3.44Å; P132-L241 PolarHBondContact O-N 2.91Å; P132-L241 VanDerWaalsContact O-N 3.08Å; P132-Y335 HydrophobicContact CB-CE1 3.91Å; P132-Y335 HydrophobicContact CG-CE1 3.87Å
133	S	96.8	Very high	83.8	Confident	25 Å²	25	78.8 Å²	78.8	18%	0.175	39%	0.394	C	S	.	.	B	Isolated β-bridge	trans	-81.6	154.2	171.6	64.9	0	0	0	0	111.9	T135 R136 I137 L241	S133-T135 VanDerWaalsContact C-N 3.28Å; S133-T135 PolarHBondContact O-N 2.83Å; S133-T135 PolarHBondContact OG-OG1 3.19Å; S133-R136 WeakPolarHBondContact O-CB 3.37Å; S133-R136 PolarHBondContact O-N 3.22Å; S133-R136 VanDerWaalsContact O-N 3.07Å; S133-R136 WeakPolarHBondContact OG-CB 3.46Å; S133-R136 PolarHBondContact OG-N 3.34Å; S133-I137 PolarHBondContact O-N 3Å; S133-L241 CarbonylContact C-O 3.54Å; S133-L241 WeakPolarHBondContact CA-O 3.43Å
134	V	97.8	Very high	84.7	Confident	0 Å²	0	77.4 Å²	77.4	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-49.7	-50.3	172.3	173.3	0	0	0	0	111.3	R136 I137 L138 Y240 L241 Q278 A281 Y282 W328	V134-R136 VanDerWaalsContact C-N 3.31Å; V134-R136 PolarHBondContact O-N 3.16Å; V134-I137 PolarHBondContact O-N 3.36Å; V134-L138 HydrophobicContact CG1-CD1 3.97Å; V134-L138 HydrophobicContact CG1-CG 4.42Å; V134-L138 WeakPolarHBondContact O-CG 3.44Å; V134-L138 PolarHBondContact O-N 2.64Å; V134-Y240 HydrophobicContact CG2-CD2 3.63Å; V134-Y240 HydrophobicContact CG2-CE2 3.76Å; V134-L241 PolarHBondContact N-O 3.08Å; V134-Q278 HydrophobicContact CG1-CB 4.4Å; V134-Q278 HydrophobicContact CG1-CG 3.93Å; V134-A281 HydrophobicContact CB-CB 4.49Å; V134-A281 HydrophobicContact CG1-CB 3.71Å; V134-A281 HydrophobicContact CG2-CB 3.89Å; V134-Y282 HydrophobicContact CB-CD1 4.24Å; V134-Y282 HydrophobicContact CB-CE1 3.64Å; V134-Y282 HydrophobicContact CG1-CD1 4.42Å; V134-Y282 HydrophobicContact CG1-CE1 3.98Å; V134-Y282 HydrophobicContact CG2-CD1 3.75Å; V134-Y282 HydrophobicContact CG2-CE1 3.6Å; V134-W328 HydrophobicContact CB-CH2 4.23Å; V134-W328 HydrophobicContact CG1-CH2 4.11Å; V134-W328 HydrophobicContact CG1-CZ3 4.01Å; V134-W328 HydrophobicContact CG2-CH2 4.09Å; V134-W328 HydrophobicContact CG2-CZ2 4.31Å
135	T	96.2	Very high	85.8	Confident	57 Å²	57	74.5 Å²	74.5	35%	0.35	39%	0.387	S	S	.	.	H	α-helix	trans	-58.4	-40.1	178.9	51	0	0	0	0	113	S133 Q139	S133-T135 VanDerWaalsContact C-N 3.28Å; S133-T135 PolarHBondContact O-N 2.83Å; S133-T135 PolarHBondContact OG-OG1 3.19Å; T135-Q139 WeakPolarHBondContact O-CB 3.4Å; T135-Q139 WeakPolarHBondContact O-CG 3.44Å; T135-Q139 PolarHBondContact O-N 3Å
136	R	96.4	Very high	87.3	Confident	96 Å²	96	74.9 Å²	74.9	36%	0.362	38%	0.38	S	S	.	.	H	α-helix	trans	-66.9	-41.8	178	179.7	173.4	-178.9	148.2	-6.5	111.5	S133 V134 Q140 Y335	S133-R136 WeakPolarHBondContact O-CB 3.37Å; S133-R136 PolarHBondContact O-N 3.22Å; S133-R136 VanDerWaalsContact O-N 3.07Å; S133-R136 WeakPolarHBondContact OG-CB 3.46Å; S133-R136 PolarHBondContact OG-N 3.34Å; V134-R136 VanDerWaalsContact C-N 3.31Å; V134-R136 PolarHBondContact O-N 3.16Å; R136-Q140 HydrophobicContact CG-CG 4.5Å; R136-Q140 WeakPolarHBondContact O-CB 3.34Å; R136-Q140 WeakPolarHBondContact O-CG 3.47Å; R136-Q140 PolarHBondContact O-N 3.48Å; R136-Y335 HydrophobicContact CG-CE2 4.49Å
137	I	97.7	Very high	88.9	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-62.6	-50.5	178.2	-70.8	159.6	0	0	0	109.7	P132 S133 V134 Q139 Q140 T141 W328 L332 Y335	P132-I137 HydrophobicContact CB-CD1 4Å; P132-I137 HydrophobicContact CB-CG1 3.96Å; P132-I137 HydrophobicContact CG-CD1 3.81Å; P132-I137 HydrophobicContact CG-CG1 4.18Å; S133-I137 PolarHBondContact O-N 3Å; V134-I137 PolarHBondContact O-N 3.36Å; I137-Q139 PolarHBondContact O-N 3.31Å; I137-Q140 PolarHBondContact O-N 2.95Å; I137-T141 WeakPolarHBondContact O-CB 3.29Å; I137-T141 WeakPolarHBondContact O-CG2 3.43Å; I137-T141 PolarHBondContact O-N 3.45Å; I137-T141 VanDerWaalsContact O-N 3.17Å; I137-T141 PolarHBondContact O-OG1 3.29Å; I137-W328 HydrophobicContact CB-CH2 3.76Å; I137-W328 HydrophobicContact CB-CZ3 3.94Å; I137-W328 HydrophobicContact CD1-CH2 3.53Å; I137-W328 HydrophobicContact CD1-CZ2 4.07Å; I137-W328 HydrophobicContact CG1-CH2 4.25Å; I137-W328 HydrophobicContact CG2-CH2 3.64Å; I137-W328 HydrophobicContact CG2-CZ3 3.56Å; I137-L332 HydrophobicContact CD1-CD1 3.64Å; I137-L332 HydrophobicContact CG1-CD1 4.47Å; I137-Y335 HydrophobicContact CB-CD2 4.23Å; I137-Y335 HydrophobicContact CB-CG 4.4Å; I137-Y335 HydrophobicContact CG1-CD1 4.01Å; I137-Y335 HydrophobicContact CG1-CD2 3.89Å; I137-Y335 HydrophobicContact CG1-CE1 4.25Å; I137-Y335 HydrophobicContact CG1-CE2 4.08Å; I137-Y335 HydrophobicContact CG1-CG 3.86Å; I137-Y335 HydrophobicContact CG2-CD2 4.37Å; I137-Y335 HydrophobicContact CG2-CG 4.24Å
138	L	97.3	Very high	90.7	Very high	9 Å²	9	67.6 Å²	67.6	5%	0.047	34%	0.337	C	S	.	.	H	α-helix	trans	-59.2	-45.6	179.6	-67	176	0	0	0	111.9	V134 Q140 T141 L142 D274 V277 Q278 W328 R331	V134-L138 HydrophobicContact CG1-CD1 3.97Å; V134-L138 HydrophobicContact CG1-CG 4.42Å; V134-L138 WeakPolarHBondContact O-CG 3.44Å; V134-L138 PolarHBondContact O-N 2.64Å; L138-Q140 PolarHBondContact O-N 2.99Å; L138-T141 PolarHBondContact O-N 2.92Å; L138-T141 PolarHBondContact O-OG1 2.9Å; L138-L142 PolarHBondContact O-N 3.46Å; L138-D274 HydrophobicContact CD1-CB 4.34Å; L138-V277 HydrophobicContact CD2-CB 4.37Å; L138-V277 HydrophobicContact CD2-CG1 3.84Å; L138-Q278 HydrophobicContact CD1-CB 3.73Å; L138-Q278 HydrophobicContact CD1-CG 4.3Å; L138-W328 HydrophobicContact CD2-CE3 3.98Å; L138-W328 HydrophobicContact CD2-CZ3 3.95Å; L138-W328 HydrophobicContact CG-CE3 4.49Å; L138-W328 HydrophobicContact CG-CZ3 4.04Å; L138-R331 PolarHBondContact O-NH2 3.44Å
139	Q	95.5	Very high	92.1	Very high	137 Å²	137	63.9 Å²	63.9	64%	0.64	32%	0.323	S	S	*	.	H	α-helix	trans	-62.3	-41.1	178.6	-76	173.3	-10.8	0	0	113.5	T135 I137 T141 L142	T135-Q139 WeakPolarHBondContact O-CB 3.4Å; T135-Q139 WeakPolarHBondContact O-CG 3.44Å; T135-Q139 PolarHBondContact O-N 3Å; I137-Q139 PolarHBondContact O-N 3.31Å; Q139-T141 VanDerWaalsContact C-N 3.28Å; Q139-T141 PolarHBondContact O-N 3.39Å; Q139-L142 WeakPolarHBondContact O-CG 3.39Å
140	Q	95.8	Very high	93	Very high	95 Å²	95	62.9 Å²	62.9	44%	0.444	31%	0.312	S	S	.	.	H	α-helix	trans	-78.3	-13.7	-178.2	-69.2	-166.7	-18.2	0	0	113.3	R136 I137 L138 Y335 Q338	R136-Q140 HydrophobicContact CG-CG 4.5Å; R136-Q140 WeakPolarHBondContact O-CB 3.34Å; R136-Q140 WeakPolarHBondContact O-CG 3.47Å; R136-Q140 PolarHBondContact O-N 3.48Å; I137-Q140 PolarHBondContact O-N 2.95Å; L138-Q140 PolarHBondContact O-N 2.99Å; Q140-Y335 HydrophobicContact CB-CD2 4.09Å; Q140-Y335 HydrophobicContact CB-CE2 4.13Å; Q140-Y335 HydrophobicContact CG-CE2 4.44Å; Q140-Q338 PolarHBondContact O-OE1 2.9Å
141	T	96.2	Very high	93.4	Very high	8 Å²	8	61.2 Å²	61.2	5%	0.049	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	10.8	-175.8	54.6	0	0	0	0	113.7	I137 L138 Q139 S143 R331 D334 Y335	I137-T141 WeakPolarHBondContact O-CB 3.29Å; I137-T141 WeakPolarHBondContact O-CG2 3.43Å; I137-T141 PolarHBondContact O-N 3.45Å; I137-T141 VanDerWaalsContact O-N 3.17Å; I137-T141 PolarHBondContact O-OG1 3.29Å; L138-T141 PolarHBondContact O-N 2.92Å; L138-T141 PolarHBondContact O-OG1 2.9Å; Q139-T141 VanDerWaalsContact C-N 3.28Å; Q139-T141 PolarHBondContact O-N 3.39Å; T141-S143 PolarHBondContact O-N 2.87Å; T141-R331 WeakPolarHBondContact CG2-O 3.48Å; T141-R331 PolarHBondContact O-NE 3.43Å; T141-R331 PolarHBondContact O-NH1 3.27Å; T141-R331 PolarHBondContact O-NH2 3.45Å; T141-R331 VanDerWaalsContact O-NH2 3.1Å; T141-R331 PolarHBondContact OG1-NE 2.81Å; T141-R331 PolarHBondContact OG1-NH2 2.84Å; T141-D334 HydrophobicContact CG2-CB 4.07Å; T141-Y335 HydrophobicContact CG2-CD2 4.37Å
142	L	92.9	Very high	93.5	Very high	40 Å²	40	61.4 Å²	61.4	21%	0.209	30%	0.304	C	S	.	.			trans	-49	139.9	179.2	-72.6	170.6	0	0	0	111.7	L138 Q139 Q146 I147 L150 D274	L138-L142 PolarHBondContact O-N 3.46Å; Q139-L142 WeakPolarHBondContact O-CG 3.39Å; L142-Q146 HydrophobicContact CB-CB 4.46Å; L142-Q146 HydrophobicContact CD2-CB 4.24Å; L142-I147 HydrophobicContact CB-CD1 4.14Å; L142-I147 HydrophobicContact CB-CG1 3.66Å; L142-I147 WeakPolarHBondContact O-CD1 3.38Å; L142-L150 HydrophobicContact CD1-CD1 3.78Å; L142-D274 WeakPolarHBondContact CD2-OD2 3.26Å
143	S	91	Very high	93.4	Very high	38 Å²	38	65.3 Å²	65.3	27%	0.266	32%	0.317	S	S	.	.			trans	-65.3	153.3	176.6	63.4	0	0	0	0	110.7	T141 E145 Q146 I147	T141-S143 PolarHBondContact O-N 2.87Å; S143-E145 PolarHBondContact O-N 3.27Å; S143-Q146 PolarHBondContact O-N 3.03Å; S143-Q146 VanDerWaalsContact O-N 3.07Å; S143-Q146 WeakPolarHBondContact OG-CB 3.37Å; S143-Q146 WeakPolarHBondContact OG-CG 3.35Å; S143-Q146 PolarHBondContact OG-N 3.43Å; S143-Q146 PolarHBondContact OG-OE1 3.24Å; S143-I147 WeakPolarHBondContact O-CG1 3.42Å; S143-I147 PolarHBondContact O-N 2.99Å
144	P	90.7	Very high	93.2	Very high	111 Å²	111	67.7 Å²	67.7	72%	0.721	32%	0.324	S	S	*	.	H	α-helix	trans	-54.9	-35.6	176.6	-27.4	35.4	0	0	0	113.3	F148	P144-F148 WeakPolarHBondContact O-CB 3.33Å; P144-F148 PolarHBondContact O-N 3.24Å
145	E	87.3	Confident	93	Very high	125 Å²	125	74.9 Å²	74.9	58%	0.584	35%	0.351	S	S	*	.	H	α-helix	trans	-66.4	-46.6	175.8	-176.2	176.1	-164.5	0	0	111.9	S143 I147 F148 Y149	S143-E145 PolarHBondContact O-N 3.27Å; E145-I147 VanDerWaalsContact C-N 3.35Å; E145-I147 PolarHBondContact O-N 3.36Å; E145-F148 WeakPolarHBondContact O-CB 3.47Å; E145-F148 PolarHBondContact O-N 3.01Å; E145-Y149 HydrophobicContact CG-CD2 3.81Å; E145-Y149 HydrophobicContact CG-CE2 3.5Å; E145-Y149 VanDerWaalsContact CG-CE2 3.5Å; E145-Y149 WeakPolarHBondContact O-CD2 3.23Å; E145-Y149 PolarHBondContact O-N 2.87Å
146	Q	89.1	Confident	92.9	Very high	42 Å²	42	76.9 Å²	76.9	20%	0.196	35%	0.352	C	S	.	.	H	α-helix	trans	-60.5	-44.8	175.3	-74.8	169	-52.3	0	0	111.3	L142 S143 F148 Y149 L150 D274	L142-Q146 HydrophobicContact CB-CB 4.46Å; L142-Q146 HydrophobicContact CD2-CB 4.24Å; S143-Q146 PolarHBondContact O-N 3.03Å; S143-Q146 VanDerWaalsContact O-N 3.07Å; S143-Q146 WeakPolarHBondContact OG-CB 3.37Å; S143-Q146 WeakPolarHBondContact OG-CG 3.35Å; S143-Q146 PolarHBondContact OG-N 3.43Å; S143-Q146 PolarHBondContact OG-OE1 3.24Å; Q146-F148 VanDerWaalsContact C-N 3.31Å; Q146-F148 PolarHBondContact O-N 2.93Å; Q146-Y149 PolarHBondContact O-N 2.84Å; Q146-L150 WeakPolarHBondContact O-CB 3.27Å; Q146-L150 VanDerWaalsContact O-CG 3.26Å; Q146-L150 WeakPolarHBondContact O-CG 3.46Å; Q146-L150 PolarHBondContact O-N 2.77Å; Q146-D274 PolarHBondContact NE2-OD1 3.23Å
147	I	90.9	Very high	92.7	Very high	84 Å²	84	73.5 Å²	73.5	43%	0.431	34%	0.341	S	S	.	.	H	α-helix	trans	-58.6	-45.9	176.7	-66.4	169.2	0	0	0	110.2	L142 S143 E145 L150 E151	L142-I147 HydrophobicContact CB-CD1 4.14Å; L142-I147 HydrophobicContact CB-CG1 3.66Å; L142-I147 WeakPolarHBondContact O-CD1 3.38Å; S143-I147 WeakPolarHBondContact O-CG1 3.42Å; S143-I147 PolarHBondContact O-N 2.99Å; E145-I147 VanDerWaalsContact C-N 3.35Å; E145-I147 PolarHBondContact O-N 3.36Å; I147-L150 PolarHBondContact O-N 2.92Å; I147-E151 WeakPolarHBondContact O-CB 3.36Å; I147-E151 PolarHBondContact O-N 2.93Å
148	F	92.8	Very high	92.6	Very high	111 Å²	111	75.8 Å²	75.8	49%	0.487	35%	0.353	S	S	.	.	H	α-helix	trans	-58.2	-50.2	179	173.1	-98.5	0	0	0	112.4	P144 E145 Q146 E151 R152	P144-F148 WeakPolarHBondContact O-CB 3.33Å; P144-F148 PolarHBondContact O-N 3.24Å; E145-F148 WeakPolarHBondContact O-CB 3.47Å; E145-F148 PolarHBondContact O-N 3.01Å; Q146-F148 VanDerWaalsContact C-N 3.31Å; Q146-F148 PolarHBondContact O-N 2.93Å; F148-E151 PolarHBondContact O-N 2.9Å; F148-R152 WeakPolarHBondContact O-CB 3.37Å; F148-R152 PolarHBondContact O-N 3Å
149	Y	89.1	Confident	92.5	Very high	99 Å²	99	79.1 Å²	79.1	39%	0.388	38%	0.382	S	S	.	.	H	α-helix	trans	-68	-35.5	179.8	-73.9	-65.4	0	0	0	113	E145 Q146 R152 W153	E145-Y149 HydrophobicContact CG-CD2 3.81Å; E145-Y149 HydrophobicContact CG-CE2 3.5Å; E145-Y149 VanDerWaalsContact CG-CE2 3.5Å; E145-Y149 WeakPolarHBondContact O-CD2 3.23Å; E145-Y149 PolarHBondContact O-N 2.87Å; Q146-Y149 PolarHBondContact O-N 2.84Å; Y149-R152 PolarHBondContact O-N 3.06Å; Y149-W153 WeakPolarHBondContact O-CB 3.21Å; Y149-W153 PolarHBondContact O-N 2.99Å
150	L	89.7	Confident	92.4	Very high	88 Å²	88	79.1 Å²	79.1	46%	0.461	38%	0.382	S	S	.	.	H	α-helix	trans	-65.7	-44.1	175.6	-74.1	171.5	0	0	0	111.7	L142 Q146 I147 W153 K154	L142-L150 HydrophobicContact CD1-CD1 3.78Å; Q146-L150 WeakPolarHBondContact O-CB 3.27Å; Q146-L150 VanDerWaalsContact O-CG 3.26Å; Q146-L150 WeakPolarHBondContact O-CG 3.46Å; Q146-L150 PolarHBondContact O-N 2.77Å; I147-L150 PolarHBondContact O-N 2.92Å; L150-W153 PolarHBondContact O-N 3.16Å; L150-K154 VanDerWaalsContact O-CB 3.29Å; L150-K154 WeakPolarHBondContact O-CB 3.18Å; L150-K154 PolarHBondContact O-N 2.81Å
151	E	92.7	Very high	92.4	Very high	73 Å²	73	78.1 Å²	78.1	34%	0.341	38%	0.379	S	S	.	.	H	α-helix	trans	-67.3	-38.3	176	-79.6	-63.1	144.5	0	0	111.8	I147 F148 K154 R155	I147-E151 WeakPolarHBondContact O-CB 3.36Å; I147-E151 PolarHBondContact O-N 2.93Å; F148-E151 PolarHBondContact O-N 2.9Å; E151-K154 PolarHBondContact O-N 3.16Å; E151-K154 IonicContact OE1-NZ 3.24Å; E151-K154 PolarHBondContact OE1-NZ 3.44Å; E151-K154 IonicContact OE2-NZ 3.76Å; E151-R155 WeakPolarHBondContact O-CB 3.33Å; E151-R155 VanDerWaalsContact O-CG 3.31Å; E151-R155 WeakPolarHBondContact O-CG 3.39Å; E151-R155 PolarHBondContact O-N 3.25Å
152	R	92.4	Very high	92.4	Very high	39 Å²	39	79.3 Å²	79.3	15%	0.147	39%	0.393	C	S	.	.	H	α-helix	trans	-61.1	-47	173	-176.3	173.5	176.9	153.4	-0.3	111.5	D73 F148 Y149 R155 R156	D73-R152 IonicContact OD2-NH2 2.65Å; D73-R152 PolarHBondContact OD2-NH2 3.06Å; D73-R152 VanDerWaalsContact OD2-NH2 3.17Å; F148-R152 WeakPolarHBondContact O-CB 3.37Å; F148-R152 PolarHBondContact O-N 3Å; Y149-R152 PolarHBondContact O-N 3.06Å; R152-R155 PolarHBondContact O-N 2.65Å; R152-R156 PolarHBondContact O-N 3.41Å; R152-R156 VanDerWaalsContact O-N 3.1Å
153	W	92.6	Very high	92.5	Very high	95 Å²	95	84.4 Å²	84.4	36%	0.36	42%	0.416	S	S	.	.	H	α-helix	trans	-61.2	-45.4	176.3	169	74.4	0	0	0	111.8	Y149 L150 R155 R156 M157 F166 Y169	Y149-W153 WeakPolarHBondContact O-CB 3.21Å; Y149-W153 PolarHBondContact O-N 2.99Å; L150-W153 PolarHBondContact O-N 3.16Å; W153-R155 PolarHBondContact O-N 2.92Å; W153-R156 WeakPolarHBondContact O-CB 3.17Å; W153-R156 PolarHBondContact O-N 3.46Å; W153-M157 HydrophobicContact CD2-CG 4.15Å; W153-M157 HydrophobicContact CG-CG 4.46Å; W153-M157 HydrophobicContact CZ2-CG 3.76Å; W153-M157 HydrophobicContact CZ2-SD 4.18Å; W153-M157 WeakPolarHBondContact O-CG 3.31Å; W153-M157 PolarHBondContact O-N 2.93Å; W153-F166 HydrophobicContact CH2-CE2 4.01Å; W153-F166 HydrophobicContact CZ3-CE2 4.18Å; W153-F166 HydrophobicContact CZ3-CZ 4.36Å; W153-Y169 HydrophobicContact CH2-CE1 4.34Å; W153-Y169 HydrophobicContact CZ2-CE1 4.07Å
154	K	93.1	Very high	92.8	Very high	75 Å²	75	88.7 Å²	88.7	33%	0.326	43%	0.432	S	S	.	.	H	α-helix	trans	-59	-46.6	177.5	175.1	-179	167.2	-163.2	0	111.9	L150 E151 R156 M157 I158 F166	L150-K154 VanDerWaalsContact O-CB 3.29Å; L150-K154 WeakPolarHBondContact O-CB 3.18Å; L150-K154 PolarHBondContact O-N 2.81Å; E151-K154 PolarHBondContact O-N 3.16Å; E151-K154 IonicContact OE1-NZ 3.24Å; E151-K154 PolarHBondContact OE1-NZ 3.44Å; E151-K154 IonicContact OE2-NZ 3.76Å; K154-R156 VanDerWaalsContact C-N 3.31Å; K154-R156 PolarHBondContact O-N 3.22Å; K154-M157 PolarHBondContact O-N 3.44Å; K154-I158 HydrophobicContact CG-CD1 3.84Å; K154-I158 WeakPolarHBondContact O-CG1 3.35Å; K154-I158 PolarHBondContact O-N 3.33Å; K154-F166 HydrophobicContact CG-CE1 4.07Å; K154-F166 HydrophobicContact CG-CZ 3.89Å
155	R	94.1	Very high	93.1	Very high	151 Å²	151	84.5 Å²	84.5	57%	0.57	41%	0.408	S	S	*	.	H	α-helix	trans	-59.5	-41.5	176.3	-73.4	175.9	-169.4	167	2.8	112	E151 R152 W153 I158 A159	E151-R155 WeakPolarHBondContact O-CB 3.33Å; E151-R155 VanDerWaalsContact O-CG 3.31Å; E151-R155 WeakPolarHBondContact O-CG 3.39Å; E151-R155 PolarHBondContact O-N 3.25Å; R152-R155 PolarHBondContact O-N 2.65Å; W153-R155 PolarHBondContact O-N 2.92Å; R155-I158 PolarHBondContact O-N 3.24Å; R155-A159 WeakPolarHBondContact O-CB 3.3Å; R155-A159 PolarHBondContact O-N 3.32Å
156	R	93.8	Very high	93.5	Very high	98 Å²	98	80 Å²	80	37%	0.37	39%	0.387	S	S	.	.	H	α-helix	trans	-61.3	-47.8	175.6	-173.5	-173	-63.8	164.9	-1.4	111.7	D73 R152 W153 K154 I158 A159 E160	D73-R156 IonicContact OD2-CZ 2.93Å; D73-R156 IonicContact OD2-NE 3.99Å; D73-R156 IonicContact OD2-NH2 2.72Å; D73-R156 PolarHBondContact OD2-NH2 2.6Å; R152-R156 PolarHBondContact O-N 3.41Å; R152-R156 VanDerWaalsContact O-N 3.1Å; W153-R156 WeakPolarHBondContact O-CB 3.17Å; W153-R156 PolarHBondContact O-N 3.46Å; K154-R156 VanDerWaalsContact C-N 3.31Å; K154-R156 PolarHBondContact O-N 3.22Å; R156-I158 VanDerWaalsContact C-N 3.32Å; R156-I158 PolarHBondContact O-N 2.84Å; R156-A159 PolarHBondContact O-N 3.33Å; R156-E160 WeakPolarHBondContact O-CB 3.4Å; R156-E160 PolarHBondContact O-N 2.84Å
157	M	92.2	Very high	93.8	Very high	26 Å²	26	83.2 Å²	83.2	13%	0.128	40%	0.4	C	S	.	.	H	α-helix	trans	-65.9	-35.9	-179.7	-61.5	-78.5	75.2	0	0	112.4	W153 K154 E160 L161 F166	W153-M157 HydrophobicContact CD2-CG 4.15Å; W153-M157 HydrophobicContact CG-CG 4.46Å; W153-M157 HydrophobicContact CZ2-CG 3.76Å; W153-M157 HydrophobicContact CZ2-SD 4.18Å; W153-M157 WeakPolarHBondContact O-CG 3.31Å; W153-M157 PolarHBondContact O-N 2.93Å; K154-M157 PolarHBondContact O-N 3.44Å; M157-E160 WeakPolarHBondContact CE-OE2 3.4Å; M157-E160 PolarHBondContact O-N 3.29Å; M157-L161 WeakPolarHBondContact O-CB 3.42Å; M157-L161 PolarHBondContact O-N 2.94Å; M157-F166 HydrophobicContact CB-CD2 3.57Å; M157-F166 HydrophobicContact CB-CE2 3.9Å; M157-F166 HydrophobicContact CG-CE2 4.47Å
158	I	95	Very high	94.1	Very high	48 Å²	48	85.9 Å²	85.9	25%	0.246	41%	0.411	C	S	.	.	H	α-helix	trans	-67.2	-38.9	173.7	-67.8	168.3	0	0	0	111	K154 R155 R156 E160 G162 E163 F166	K154-I158 HydrophobicContact CG-CD1 3.84Å; K154-I158 WeakPolarHBondContact O-CG1 3.35Å; K154-I158 PolarHBondContact O-N 3.33Å; R155-I158 PolarHBondContact O-N 3.24Å; R156-I158 VanDerWaalsContact C-N 3.32Å; R156-I158 PolarHBondContact O-N 2.84Å; I158-E160 VanDerWaalsContact C-N 3.33Å; I158-G162 CarbonylContact O-C 3.59Å; I158-G162 WeakPolarHBondContact O-CA 3.48Å; I158-G162 PolarHBondContact O-N 3.42Å; I158-E163 HydrophobicContact CG2-CG 3.85Å; I158-F166 HydrophobicContact CD1-CD1 4.15Å; I158-F166 HydrophobicContact CD1-CE1 4.49Å; I158-F166 HydrophobicContact CG1-CB 3.87Å; I158-F166 HydrophobicContact CG1-CD1 3.77Å; I158-F166 HydrophobicContact CG1-CD2 4.38Å; I158-F166 HydrophobicContact CG1-CE1 4.45Å; I158-F166 HydrophobicContact CG1-CG 3.73Å
159	A	95.2	Very high	94.1	Very high	79 Å²	79	83.3 Å²	83.3	65%	0.653	40%	0.398	S	S	*	.	H	α-helix	trans	-65.8	-35.7	176	0	0	0	0	0	112.4	R155 R156	R155-A159 WeakPolarHBondContact O-CB 3.3Å; R155-A159 PolarHBondContact O-N 3.32Å; R156-A159 PolarHBondContact O-N 3.33Å
160	E	95	Very high	94.3	Very high	136 Å²	136	80 Å²	80	64%	0.636	39%	0.389	S	S	*	.	H	α-helix	trans	-79.4	-43.5	-179.2	-173.1	177.1	168.4	0	0	113.1	R156 M157 I158	R156-E160 WeakPolarHBondContact O-CB 3.4Å; R156-E160 PolarHBondContact O-N 2.84Å; M157-E160 WeakPolarHBondContact CE-OE2 3.4Å; M157-E160 PolarHBondContact O-N 3.29Å; I158-E160 VanDerWaalsContact C-N 3.33Å
161	L	94.8	Very high	94.6	Very high	75 Å²	75	81.5 Å²	81.5	39%	0.393	39%	0.394	S	S	.	.	H	α-helix	trans	-104.4	-11.9	-171.7	-57	175.9	0	0	0	113.7	M157 G165 Y169	M157-L161 WeakPolarHBondContact O-CB 3.42Å; M157-L161 PolarHBondContact O-N 2.94Å; L161-G165 WeakPolarHBondContact O-CA 3.43Å; L161-Y169 HydrophobicContact CD1-CD2 4.4Å; L161-Y169 HydrophobicContact CD1-CG 4.08Å
162	G	96.4	Very high	94.6	Very high	33 Å²	33	81.2 Å²	81.2	34%	0.34	40%	0.395	S	S	.	.	H	α-helix	trans	74.8	168.7	-163.7	0	0	0	0	0	112.7	I158 E164 G165 F166	I158-G162 CarbonylContact O-C 3.59Å; I158-G162 WeakPolarHBondContact O-CA 3.48Å; I158-G162 PolarHBondContact O-N 3.42Å; G162-E164 PolarHBondContact O-N 2.75Å; G162-G165 PolarHBondContact O-N 3.08Å; G162-F166 WeakPolarHBondContact O-CB 3.35Å; G162-F166 PolarHBondContact O-N 3.47Å
163	E	95.8	Very high	94.6	Very high	147 Å²	147	81.8 Å²	81.8	69%	0.687	40%	0.4	S	S	*	.	H	α-helix	trans	-62.5	-44.1	-179.1	-67.3	-172.6	175.5	0	0	112.5	I158 F166 K167	I158-E163 HydrophobicContact CG2-CG 3.85Å; E163-F166 PolarHBondContact O-N 2.87Å; E163-K167 WeakPolarHBondContact O-CB 3.33Å; E163-K167 PolarHBondContact O-N 3.31Å
164	E	96.5	Very high	94.6	Very high	128 Å²	128	84.4 Å²	84.4	60%	0.598	41%	0.414	S	S	*	.	H	α-helix	trans	-71.9	-38.3	179.1	-62.8	-58.3	169.4	0	0	112.1	G162 F166 K167 E168	G162-E164 PolarHBondContact O-N 2.75Å; E164-F166 VanDerWaalsContact C-N 3.34Å; E164-F166 PolarHBondContact O-N 3.03Å; E164-K167 WeakPolarHBondContact O-CB 3.41Å; E164-K167 PolarHBondContact O-N 2.91Å; E164-K167 WeakPolarHBondContact OE2-CD 3.24Å; E164-K167 IonicContact OE2-NZ 3.54Å; E164-E168 PolarHBondContact O-N 3.45Å
165	G	96.2	Very high	94.7	Very high	22 Å²	22	86.4 Å²	86.4	23%	0.227	42%	0.423	C	S	.	.	H	α-helix	trans	-63.7	-39.6	174	0	0	0	0	0	112	L161 G162 K167 E168 Y169	L161-G165 WeakPolarHBondContact O-CA 3.43Å; G162-G165 PolarHBondContact O-N 3.08Å; G165-K167 VanDerWaalsContact C-N 3.34Å; G165-K167 PolarHBondContact O-N 2.89Å; G165-E168 PolarHBondContact O-N 2.88Å; G165-Y169 WeakPolarHBondContact O-CB 3.38Å; G165-Y169 PolarHBondContact O-N 3.03Å
166	F	95.6	Very high	94.6	Very high	31 Å²	31	79.6 Å²	79.6	14%	0.136	40%	0.398	C	S	.	.	H	α-helix	trans	-63.5	-38.5	173.5	176.2	-108.7	0	0	0	112.7	W153 K154 M157 I158 G162 E163 E164 S170	W153-F166 HydrophobicContact CH2-CE2 4.01Å; W153-F166 HydrophobicContact CZ3-CE2 4.18Å; W153-F166 HydrophobicContact CZ3-CZ 4.36Å; K154-F166 HydrophobicContact CG-CE1 4.07Å; K154-F166 HydrophobicContact CG-CZ 3.89Å; M157-F166 HydrophobicContact CB-CD2 3.57Å; M157-F166 HydrophobicContact CB-CE2 3.9Å; M157-F166 HydrophobicContact CG-CE2 4.47Å; I158-F166 HydrophobicContact CD1-CD1 4.15Å; I158-F166 HydrophobicContact CD1-CE1 4.49Å; I158-F166 HydrophobicContact CG1-CB 3.87Å; I158-F166 HydrophobicContact CG1-CD1 3.77Å; I158-F166 HydrophobicContact CG1-CD2 4.38Å; I158-F166 HydrophobicContact CG1-CE1 4.45Å; I158-F166 HydrophobicContact CG1-CG 3.73Å; G162-F166 WeakPolarHBondContact O-CB 3.35Å; G162-F166 PolarHBondContact O-N 3.47Å; E163-F166 PolarHBondContact O-N 2.87Å; E164-F166 VanDerWaalsContact C-N 3.34Å; E164-F166 PolarHBondContact O-N 3.03Å; F166-S170 WeakPolarHBondContact O-CB 3.42Å; F166-S170 PolarHBondContact O-N 3.48Å; F166-S170 PolarHBondContact O-OG 2.61Å
167	K	95.9	Very high	94.6	Very high	109 Å²	109	75.6 Å²	75.6	47%	0.474	39%	0.387	S	S	.	.	H	α-helix	trans	-66.9	-45.2	176.8	-177.3	-176	175.1	-172.1	0	111.6	E163 E164 G165 S170 Q171	E163-K167 WeakPolarHBondContact O-CB 3.33Å; E163-K167 PolarHBondContact O-N 3.31Å; E164-K167 WeakPolarHBondContact O-CB 3.41Å; E164-K167 PolarHBondContact O-N 2.91Å; E164-K167 WeakPolarHBondContact OE2-CD 3.24Å; E164-K167 IonicContact OE2-NZ 3.54Å; G165-K167 VanDerWaalsContact C-N 3.34Å; G165-K167 PolarHBondContact O-N 2.89Å; K167-S170 PolarHBondContact O-N 3.37Å; K167-Q171 VanDerWaalsContact O-CG 3.28Å; K167-Q171 WeakPolarHBondContact O-CG 3.39Å; K167-Q171 PolarHBondContact O-N 3.01Å
168	E	96.6	Very high	94.7	Very high	141 Å²	141	82 Å²	82	66%	0.659	41%	0.414	S	S	*	.	H	α-helix	trans	-62	-47.3	174.6	-176.2	177.9	-175.6	0	0	111.2	E164 G165 S170 Q171 N172	E164-E168 PolarHBondContact O-N 3.45Å; G165-E168 PolarHBondContact O-N 2.88Å; E168-S170 VanDerWaalsContact C-N 3.33Å; E168-S170 PolarHBondContact O-N 3.26Å; E168-Q171 PolarHBondContact O-N 3.2Å; E168-N172 WeakPolarHBondContact O-CB 3.22Å; E168-N172 PolarHBondContact O-N 3.39Å
169	Y	93.9	Very high	94.7	Very high	57 Å²	57	82 Å²	82	22%	0.224	41%	0.414	C	S	.	.	H	α-helix	trans	-54.1	-49.3	174.7	170.8	-94.8	0	0	0	111.5	W153 L161 G165 Q171 N172 I173	W153-Y169 HydrophobicContact CH2-CE1 4.34Å; W153-Y169 HydrophobicContact CZ2-CE1 4.07Å; L161-Y169 HydrophobicContact CD1-CD2 4.4Å; L161-Y169 HydrophobicContact CD1-CG 4.08Å; G165-Y169 WeakPolarHBondContact O-CB 3.38Å; G165-Y169 PolarHBondContact O-N 3.03Å; Y169-Q171 PolarHBondContact O-N 3.48Å; Y169-N172 WeakPolarHBondContact O-CB 3.23Å; Y169-N172 PolarHBondContact O-N 2.72Å; Y169-I173 HydrophobicContact CE1-CG1 4.07Å; Y169-I173 HydrophobicContact CE2-CD1 4.33Å; Y169-I173 HydrophobicContact CE2-CG1 4.25Å; Y169-I173 WeakPolarHBondContact O-CG1 3.27Å; Y169-I173 PolarHBondContact O-N 3.34Å
170	S	93.6	Very high	94.7	Very high	29 Å²	29	78.2 Å²	78.2	20%	0.203	38%	0.383	C	S	.	.	H	α-helix	trans	-61	-45.2	178.6	-62.3	0	0	0	0	111.8	F166 K167 E168 N172 I173 F174	F166-S170 WeakPolarHBondContact O-CB 3.42Å; F166-S170 PolarHBondContact O-N 3.48Å; F166-S170 PolarHBondContact O-OG 2.61Å; K167-S170 PolarHBondContact O-N 3.37Å; E168-S170 VanDerWaalsContact C-N 3.33Å; E168-S170 PolarHBondContact O-N 3.26Å; S170-N172 VanDerWaalsContact C-N 3.31Å; S170-N172 PolarHBondContact O-N 2.83Å; S170-I173 PolarHBondContact O-N 2.84Å; S170-F174 WeakPolarHBondContact O-CD2 3.17Å; S170-F174 PolarHBondContact O-N 3.31Å; S170-F174 VanDerWaalsContact O-N 3.15Å
171	Q	94.8	Very high	94.7	Very high	119 Å²	119	73.6 Å²	73.6	56%	0.556	36%	0.362	S	S	*	.	H	α-helix	trans	-61.5	-40	176.8	-73.6	175.2	0.3	0	0	112.1	K167 E168 Y169 F174 K175	K167-Q171 VanDerWaalsContact O-CG 3.28Å; K167-Q171 WeakPolarHBondContact O-CG 3.39Å; K167-Q171 PolarHBondContact O-N 3.01Å; E168-Q171 PolarHBondContact O-N 3.2Å; Y169-Q171 PolarHBondContact O-N 3.48Å; Q171-F174 PolarHBondContact O-N 3.07Å; Q171-K175 WeakPolarHBondContact O-CB 2.94Å; Q171-K175 PolarHBondContact O-N 3.37Å
172	N	93.7	Very high	94.7	Very high	68 Å²	68	72.9 Å²	72.9	36%	0.364	36%	0.363	S	S	.	.	H	α-helix	trans	-64.9	-42.8	178	-173.9	35.4	0	0	0	111.8	E168 Y169 S170 F174 K175 Q176	E168-N172 WeakPolarHBondContact O-CB 3.22Å; E168-N172 PolarHBondContact O-N 3.39Å; Y169-N172 WeakPolarHBondContact O-CB 3.23Å; Y169-N172 PolarHBondContact O-N 2.72Å; S170-N172 VanDerWaalsContact C-N 3.31Å; S170-N172 PolarHBondContact O-N 2.83Å; N172-F174 VanDerWaalsContact C-N 3.34Å; N172-F174 PolarHBondContact O-N 2.79Å; N172-K175 PolarHBondContact O-N 3.23Å; N172-Q176 VanDerWaalsContact CG-NE2 3.31Å; N172-Q176 PolarHBondContact ND2-NE2 2.82Å; N172-Q176 WeakPolarHBondContact O-CB 3.41Å; N172-Q176 WeakPolarHBondContact O-CG 3.4Å; N172-Q176 PolarHBondContact O-N 3.44Å; N172-Q176 PolarHBondContact OD1-NE2 3.47Å; N172-Q176 VanDerWaalsContact OD1-NE2 3.13Å
173	I	92.6	Very high	94.5	Very high	50 Å²	50	71.7 Å²	71.7	26%	0.256	35%	0.35	S	S	.	.	H	α-helix	trans	-58.4	-46.2	174.1	-67.8	-66.8	0	0	0	110.8	Y169 S170 Q176 G177	Y169-I173 HydrophobicContact CE1-CG1 4.07Å; Y169-I173 HydrophobicContact CE2-CD1 4.33Å; Y169-I173 HydrophobicContact CE2-CG1 4.25Å; Y169-I173 WeakPolarHBondContact O-CG1 3.27Å; Y169-I173 PolarHBondContact O-N 3.34Å; S170-I173 PolarHBondContact O-N 2.84Å; I173-Q176 PolarHBondContact O-N 3.36Å; I173-G177 PolarHBondContact O-N 3Å
174	F	92.4	Very high	94.3	Very high	150 Å²	150	64.9 Å²	64.9	66%	0.658	32%	0.318	S	S	*	.	H	α-helix	trans	-64.6	-40.4	176.5	-75.5	-65.2	0	0	0	112.9	S170 Q171 N172 G177 K178	S170-F174 WeakPolarHBondContact O-CD2 3.17Å; S170-F174 PolarHBondContact O-N 3.31Å; S170-F174 VanDerWaalsContact O-N 3.15Å; Q171-F174 PolarHBondContact O-N 3.07Å; N172-F174 VanDerWaalsContact C-N 3.34Å; N172-F174 PolarHBondContact O-N 2.79Å; F174-G177 PolarHBondContact O-N 3.11Å; F174-K178 WeakPolarHBondContact O-CG 3.38Å; F174-K178 PolarHBondContact O-N 3.45Å
175	K	94	Very high	94.1	Very high	117 Å²	117	60.4 Å²	60.4	51%	0.509	30%	0.297	S	S	.	.	H	α-helix	trans	-62.3	-47.6	177.2	-175.5	-173.1	175	-166.5	0	110.9	Q171 N172 G177 K178 L179	Q171-K175 WeakPolarHBondContact O-CB 2.94Å; Q171-K175 PolarHBondContact O-N 3.37Å; N172-K175 PolarHBondContact O-N 3.23Å; K175-G177 PolarHBondContact O-N 3.27Å; K175-K178 PolarHBondContact O-N 2.78Å; K175-L179 HydrophobicContact CG-CD1 4.24Å; K175-L179 WeakPolarHBondContact O-CG 3.47Å; K175-L179 PolarHBondContact O-N 3.19Å
176	Q	93.1	Very high	93.7	Very high	9 Å²	9	63.6 Å²	63.6	4%	0.042	31%	0.309	C	S	.	.	H	α-helix	trans	-60.7	-44.9	177.8	-73.7	173.5	24.6	0	0	111.7	N172 I173 K178 L179 F180 Y212	N172-Q176 VanDerWaalsContact CG-NE2 3.31Å; N172-Q176 PolarHBondContact ND2-NE2 2.82Å; N172-Q176 WeakPolarHBondContact O-CB 3.41Å; N172-Q176 WeakPolarHBondContact O-CG 3.4Å; N172-Q176 PolarHBondContact O-N 3.44Å; N172-Q176 PolarHBondContact OD1-NE2 3.47Å; N172-Q176 VanDerWaalsContact OD1-NE2 3.13Å; I173-Q176 PolarHBondContact O-N 3.36Å; Q176-K178 PolarHBondContact O-N 3.23Å; Q176-L179 PolarHBondContact O-N 3.43Å; Q176-F180 WeakPolarHBondContact O-CB 3.47Å; Q176-F180 PolarHBondContact O-N 2.86Å; Q176-Y212 HydrophobicContact CB-CE2 4.34Å; Q176-Y212 PolarHBondContact OE1-OH 3.44Å
177	G	94.1	Very high	93.5	Very high	14 Å²	14	63.6 Å²	63.6	14%	0.144	31%	0.31	C	S	.	.	H	α-helix	trans	-56.8	-47.4	174.7	0	0	0	0	0	112.2	I173 F174 K175 L179 F180 H181	I173-G177 PolarHBondContact O-N 3Å; F174-G177 PolarHBondContact O-N 3.11Å; K175-G177 PolarHBondContact O-N 3.27Å; G177-L179 PolarHBondContact O-N 3.27Å; G177-F180 PolarHBondContact O-N 3.13Å; G177-H181 PolarHBondContact O-CD2 3.5Å; G177-H181 PolarHBondContact O-N 3.21Å
178	K	93.9	Very high	93.1	Very high	159 Å²	159	59 Å²	59	69%	0.691	29%	0.291	S	S	*	.	H	α-helix	trans	-61.9	-44	177.6	-73.2	178.1	-180	-177.3	0	113.2	F174 K175 Q176 F180 H181 S182	F174-K178 WeakPolarHBondContact O-CG 3.38Å; F174-K178 PolarHBondContact O-N 3.45Å; K175-K178 PolarHBondContact O-N 2.78Å; Q176-K178 PolarHBondContact O-N 3.23Å; K178-F180 VanDerWaalsContact C-N 3.3Å; K178-F180 PolarHBondContact O-N 3.36Å; K178-H181 PolarHBondContact O-N 3.45Å; K178-S182 WeakPolarHBondContact O-CB 3.34Å; K178-S182 PolarHBondContact O-N 3.38Å
179	L	94.8	Very high	92.5	Very high	48 Å²	48	55.8 Å²	55.8	25%	0.251	28%	0.281	S	S	.	.	H	α-helix	trans	-62.8	-40.1	177.8	-70.8	173.7	0	0	0	111.4	K175 Q176 G177 S182 A183 P206 E208 A209	K175-L179 HydrophobicContact CG-CD1 4.24Å; K175-L179 WeakPolarHBondContact O-CG 3.47Å; K175-L179 PolarHBondContact O-N 3.19Å; Q176-L179 PolarHBondContact O-N 3.43Å; G177-L179 PolarHBondContact O-N 3.27Å; L179-S182 PolarHBondContact O-N 3.01Å; L179-A183 WeakPolarHBondContact O-CB 3.44Å; L179-A183 PolarHBondContact O-N 2.96Å; L179-P206 HydrophobicContact CB-CG 4.32Å; L179-P206 HydrophobicContact CD2-CG 4.31Å; L179-E208 HydrophobicContact CD1-CB 4.23Å; L179-A209 HydrophobicContact CB-CB 4.47Å
180	F	95.4	Very high	91.7	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-63	-48.5	175.8	170.8	-116.6	0	0	0	112.3	Q176 G177 K178 S182 A183 L184 Y212 I213 I216 W259 T261 A304	Q176-F180 WeakPolarHBondContact O-CB 3.47Å; Q176-F180 PolarHBondContact O-N 2.86Å; G177-F180 PolarHBondContact O-N 3.13Å; K178-F180 VanDerWaalsContact C-N 3.3Å; K178-F180 PolarHBondContact O-N 3.36Å; F180-S182 PolarHBondContact O-N 3.43Å; F180-A183 PolarHBondContact O-N 3.38Å; F180-L184 HydrophobicContact CD1-CD1 4.09Å; F180-L184 HydrophobicContact CD2-CD1 4.18Å; F180-L184 HydrophobicContact CE1-CD1 3.56Å; F180-L184 HydrophobicContact CE2-CD1 3.64Å; F180-L184 HydrophobicContact CE2-CG 4.14Å; F180-L184 HydrophobicContact CG-CD1 4.4Å; F180-L184 HydrophobicContact CZ-CD1 3.3Å; F180-L184 HydrophobicContact CZ-CG 4.27Å; F180-L184 WeakPolarHBondContact O-CB 3.17Å; F180-L184 PolarHBondContact O-N 3.1Å; F180-Y212 VanDerWaalsContact CD2-CB 3.46Å; F180-Y212 HydrophobicContact CD2-CG 4.36Å; F180-I213 HydrophobicContact CD2-CD1 3.9Å; F180-I213 HydrophobicContact CE2-CD1 3.93Å; F180-I216 HydrophobicContact CE2-CD1 3.81Å; F180-I216 HydrophobicContact CE2-CG1 4.44Å; F180-I216 HydrophobicContact CZ-CD1 4.03Å; F180-I216 HydrophobicContact CZ-CG2 4.3Å; F180-W259 HydrophobicContact CE1-CB 3.78Å; F180-W259 HydrophobicContact CZ-CB 4.31Å; F180-T261 HydrophobicContact CB-CG2 4Å; F180-T261 HydrophobicContact CD1-CG2 3.47Å; F180-T261 VanDerWaalsContact CD1-CG2 3.47Å; F180-T261 HydrophobicContact CE1-CG2 4.03Å; F180-T261 HydrophobicContact CG-CG2 3.82Å; F180-A304 HydrophobicContact CE1-CB 4.33Å; F180-A304 HydrophobicContact CE2-CB 4.13Å; F180-A304 HydrophobicContact CZ-CB 3.71Å
181	H	95.3	Very high	90	Very high	40 Å²	40	54.9 Å²	54.9	19%	0.185	28%	0.284	C	S	.	.	H	α-helix	trans	-63.2	-40.6	176.8	-81.2	-112	0	0	0	112.4	G177 K178 A183 L184 E185 E230 D245 W259	G177-H181 PolarHBondContact O-CD2 3.5Å; G177-H181 PolarHBondContact O-N 3.21Å; K178-H181 PolarHBondContact O-N 3.45Å; H181-A183 PolarHBondContact O-N 2.92Å; H181-L184 WeakPolarHBondContact O-CB 3.37Å; H181-L184 PolarHBondContact O-N 3.42Å; H181-E185 WeakPolarHBondContact O-CB 3.41Å; H181-E185 PolarHBondContact O-N 3.29Å; H181-E230 IonicContact ND1-OE1 3.87Å; H181-E230 PolarHBondContact ND1-OE1 3.27Å; H181-D245 IonicContact CE1-OD1 2.87Å; H181-D245 IonicContact CE1-OD2 2.84Å; H181-D245 PolarHBondContact CE1-OD2 3.4Å; H181-D245 IonicContact ND1-OD1 3.78Å; H181-D245 IonicContact ND1-OD2 3.53Å; H181-W259 PolarHBondContact NE2-O 2.9Å
182	S	93.5	Very high	88	Confident	60 Å²	60	55 Å²	55	42%	0.42	29%	0.289	S	S	.	.	H	α-helix	trans	-60.5	-45.6	175.5	-171.4	0	0	0	0	111.8	K178 L179 F180 L184 E185 D186	K178-S182 WeakPolarHBondContact O-CB 3.34Å; K178-S182 PolarHBondContact O-N 3.38Å; L179-S182 PolarHBondContact O-N 3.01Å; F180-S182 PolarHBondContact O-N 3.43Å; S182-L184 VanDerWaalsContact C-N 3.32Å; S182-L184 PolarHBondContact O-N 2.92Å; S182-E185 PolarHBondContact O-N 2.86Å; S182-D186 PolarHBondContact O-N 3.09Å; S182-D186 VanDerWaalsContact O-N 3.09Å
183	A	92.3	Very high	85.7	Confident	7 Å²	7	55.8 Å²	55.8	6%	0.058	30%	0.296	C	S	.	.	H	α-helix	trans	-65.1	-37.7	177.3	0	0	0	0	0	112	L179 F180 H181 D186 I187 I213	L179-A183 WeakPolarHBondContact O-CB 3.44Å; L179-A183 PolarHBondContact O-N 2.96Å; F180-A183 PolarHBondContact O-N 3.38Å; H181-A183 PolarHBondContact O-N 2.92Å; A183-D186 PolarHBondContact O-N 3.2Å; A183-I187 WeakPolarHBondContact O-CD1 3.29Å; A183-I187 WeakPolarHBondContact O-CG1 3.45Å; A183-I187 PolarHBondContact O-N 3.25Å; A183-I213 HydrophobicContact CB-CD1 4.11Å; A183-I213 HydrophobicContact CB-CG1 4.33Å
184	L	92.2	Very high	83.3	Confident	4 Å²	4	57.3 Å²	57.3	2%	0.021	30%	0.299	C	S	.	.	H	α-helix	trans	-63.7	-43.6	174.3	-98.7	169.2	0	0	0	112.5	F180 H181 S182 D186 I187 L188 I213 I216 L220 W259	F180-L184 HydrophobicContact CD1-CD1 4.09Å; F180-L184 HydrophobicContact CD2-CD1 4.18Å; F180-L184 HydrophobicContact CE1-CD1 3.56Å; F180-L184 HydrophobicContact CE2-CD1 3.64Å; F180-L184 HydrophobicContact CE2-CG 4.14Å; F180-L184 HydrophobicContact CG-CD1 4.4Å; F180-L184 HydrophobicContact CZ-CD1 3.3Å; F180-L184 HydrophobicContact CZ-CG 4.27Å; F180-L184 WeakPolarHBondContact O-CB 3.17Å; F180-L184 PolarHBondContact O-N 3.1Å; H181-L184 WeakPolarHBondContact O-CB 3.37Å; H181-L184 PolarHBondContact O-N 3.42Å; S182-L184 VanDerWaalsContact C-N 3.32Å; S182-L184 PolarHBondContact O-N 2.92Å; L184-D186 VanDerWaalsContact C-N 3.32Å; L184-D186 PolarHBondContact O-N 3.01Å; L184-I187 PolarHBondContact O-N 2.97Å; L184-L188 HydrophobicContact CD2-CD1 4.3Å; L184-L188 WeakPolarHBondContact O-CB 3.45Å; L184-L188 WeakPolarHBondContact O-CG 3.37Å; L184-L188 PolarHBondContact O-N 2.7Å; L184-I213 HydrophobicContact CG-CD1 4.26Å; L184-I216 HydrophobicContact CD1-CD1 4.1Å; L184-I216 HydrophobicContact CD2-CD1 3.45Å; L184-I216 VanDerWaalsContact CD2-CD1 3.45Å; L184-I216 HydrophobicContact CG-CD1 3.9Å; L184-L220 HydrophobicContact CD2-CD2 3.98Å; L184-W259 HydrophobicContact CD1-CB 3.8Å; L184-W259 HydrophobicContact CD1-CD2 3.64Å; L184-W259 HydrophobicContact CD1-CE3 4.03Å; L184-W259 HydrophobicContact CD1-CG 3.53Å; L184-W259 HydrophobicContact CD2-CD2 4.23Å; L184-W259 HydrophobicContact CD2-CE3 4.39Å; L184-W259 HydrophobicContact CD2-CH2 4.39Å; L184-W259 HydrophobicContact CD2-CZ2 4.19Å; L184-W259 HydrophobicContact CD2-CZ3 4.47Å
185	E	91.5	Very high	81.2	Confident	35 Å²	35	60.4 Å²	60.4	16%	0.164	31%	0.306	C	S	.	.	H	α-helix	trans	-57.4	-47.5	175.4	-176.5	-172	147.7	0	0	110.5	R119 H181 S182 I187 L188 T189 I229	R119-E185 IonicContact CZ-OE1 3.51Å; R119-E185 IonicContact CZ-OE2 3.17Å; R119-E185 IonicContact NE-OE1 3.24Å; R119-E185 IonicContact NH1-OE1 3.52Å; R119-E185 PolarHBondContact NH1-OE1 3.25Å; R119-E185 VanDerWaalsContact NH2-CD 3.27Å; R119-E185 IonicContact NH2-OE1 3.28Å; R119-E185 PolarHBondContact NH2-OE1 3.03Å; R119-E185 IonicContact NH2-OE2 3.94Å; R119-E185 PolarHBondContact NH2-OE2 2.74Å; R119-E185 VanDerWaalsContact NH2-OE2 3.1Å; H181-E185 WeakPolarHBondContact O-CB 3.41Å; H181-E185 PolarHBondContact O-N 3.29Å; S182-E185 PolarHBondContact O-N 2.86Å; E185-I187 PolarHBondContact O-N 3.48Å; E185-L188 PolarHBondContact O-N 3.19Å; E185-T189 VanDerWaalsContact O-CB 3.23Å; E185-T189 WeakPolarHBondContact O-CB 3.43Å; E185-T189 PolarHBondContact O-N 2.94Å; E185-T189 PolarHBondContact O-OG1 2.92Å; E185-I229 HydrophobicContact CB-CG2 4.26Å; E185-I229 HydrophobicContact CG-CG2 3.84Å
186	D	89.5	Confident	78.7	Confident	88 Å²	88	62 Å²	62	47%	0.471	32%	0.32	S	S	.	.	H	α-helix	trans	-61.1	-45.4	178.3	-68.8	-26.4	0	0	0	111.4	S182 A183 L184 S190	S182-D186 PolarHBondContact O-N 3.09Å; S182-D186 VanDerWaalsContact O-N 3.09Å; A183-D186 PolarHBondContact O-N 3.2Å; L184-D186 VanDerWaalsContact C-N 3.32Å; L184-D186 PolarHBondContact O-N 3.01Å; D186-S190 VanDerWaalsContact O-CB 3.27Å; D186-S190 WeakPolarHBondContact O-CB 3.36Å; D186-S190 PolarHBondContact O-N 2.77Å; D186-S190 PolarHBondContact O-OG 2.92Å
187	I	89.4	Confident	76.1	Confident	31 Å²	31	67.3 Å²	67.3	16%	0.159	34%	0.343	C	S	.	.	H	α-helix	trans	-62.5	-49.7	178.8	-70.1	162.8	0	0	0	111.1	A183 L184 E185 S190 A191 P203 I213 L220	A183-I187 WeakPolarHBondContact O-CD1 3.29Å; A183-I187 WeakPolarHBondContact O-CG1 3.45Å; A183-I187 PolarHBondContact O-N 3.25Å; L184-I187 PolarHBondContact O-N 2.97Å; E185-I187 PolarHBondContact O-N 3.48Å; I187-S190 PolarHBondContact O-N 3.16Å; I187-S190 PolarHBondContact O-OG 3.48Å; I187-A191 PolarHBondContact O-N 2.87Å; I187-P203 HydrophobicContact CG1-CG 4.17Å; I187-I213 HydrophobicContact CD1-CD1 3.88Å; I187-I213 HydrophobicContact CD1-CG1 4.4Å; I187-I213 HydrophobicContact CD1-CG2 3.95Å; I187-L220 HydrophobicContact CG2-CD1 4.28Å
188	L	88.7	Confident	73.4	Confident	14 Å²	14	73.7 Å²	73.7	7%	0.073	37%	0.374	C	S	.	.	H	α-helix	trans	-72.8	-30.7	-175	-68.8	174.7	0	0	0	112.5	L184 E185 A191 L220 V223 V226 I229 C246 W259	L184-L188 HydrophobicContact CD2-CD1 4.3Å; L184-L188 WeakPolarHBondContact O-CB 3.45Å; L184-L188 WeakPolarHBondContact O-CG 3.37Å; L184-L188 PolarHBondContact O-N 2.7Å; E185-L188 PolarHBondContact O-N 3.19Å; L188-A191 WeakPolarHBondContact O-CB 3.36Å; L188-L220 HydrophobicContact CD2-CD2 4Å; L188-V223 HydrophobicContact CD2-CG1 4.22Å; L188-V226 HydrophobicContact CD2-CG2 4.2Å; L188-I229 HydrophobicContact CB-CD1 3.62Å; L188-C246 HydrophobicContact CD1-CB 4.35Å; L188-W259 HydrophobicContact CD1-CZ2 4.31Å
189	T	84.7	Confident	70.8	Confident	73 Å²	73	74.2 Å²	74.2	45%	0.448	38%	0.383	S	S	.	.	H	α-helix	trans	-75.4	-33.5	174.9	-53.4	0	0	0	0	111.6	E185 A191	E185-T189 VanDerWaalsContact O-CB 3.23Å; E185-T189 WeakPolarHBondContact O-CB 3.43Å; E185-T189 PolarHBondContact O-N 2.94Å; E185-T189 PolarHBondContact O-OG1 2.92Å; T189-A191 VanDerWaalsContact C-N 3.35Å
190	S	75.3	Confident	68.1	Low	34 Å²	34	76.7 Å²	76.7	24%	0.238	41%	0.405	C	S	.	.	H	α-helix	trans	-83.9	-8.5	177.2	58.4	0	0	0	0	113.4	D186 I187 D192 T193 W194	D186-S190 VanDerWaalsContact O-CB 3.27Å; D186-S190 WeakPolarHBondContact O-CB 3.36Å; D186-S190 PolarHBondContact O-N 2.77Å; D186-S190 PolarHBondContact O-OG 2.92Å; I187-S190 PolarHBondContact O-N 3.16Å; I187-S190 PolarHBondContact O-OG 3.48Å; S190-D192 PolarHBondContact O-N 2.77Å; S190-D192 VanDerWaalsContact O-N 3.12Å; S190-T193 VanDerWaalsContact O-CA 3.31Å; S190-T193 WeakPolarHBondContact O-CA 3.44Å; S190-T193 WeakPolarHBondContact O-CB 3.46Å; S190-T193 PolarHBondContact O-N 3.42Å; S190-T193 PolarHBondContact O-OG1 2.97Å; S190-W194 VanDerWaalsContact C-CD1 3.44Å; S190-W194 VanDerWaalsContact O-CD1 3.23Å; S190-W194 PolarHBondContact O-N 3.19Å; S190-W194 PolarHBondContact OG-NE1 3.2Å
191	A	58.3	Low	65.6	Low	32 Å²	32	82.8 Å²	82.8	26%	0.264	43%	0.433	S	S	.	.	H	α-helix	trans	-57	-29.5	-169.8	0	0	0	0	0	114.6	I187 L188 T189 T193 W194 R195	I187-A191 PolarHBondContact O-N 2.87Å; L188-A191 WeakPolarHBondContact O-CB 3.36Å; T189-A191 VanDerWaalsContact C-N 3.35Å; A191-T193 PolarHBondContact O-N 2.86Å; A191-W194 PolarHBondContact O-N 2.91Å; A191-W194 VanDerWaalsContact O-N 3.11Å; A191-R195 PolarHBondContact O-N 2.93Å
192	D	53.5	Low	63.4	Low	122 Å²	122	86.4 Å²	86.4	65%	0.652	46%	0.459	S	S	*	.	H	α-helix	trans	-62.8	-23.9	171.9	-67.4	-30	0	0	0	112.7	S190	S190-D192 PolarHBondContact O-N 2.77Å; S190-D192 VanDerWaalsContact O-N 3.12Å
193	T	46.1	Very low	61.5	Low	84 Å²	84	85.9 Å²	85.9	52%	0.515	45%	0.454	S	S	.	.	H	α-helix	trans	-90.1	-30.7	174.5	-33.2	0	0	0	0	111.7	S190 A191 N196 K197	S190-T193 VanDerWaalsContact O-CA 3.31Å; S190-T193 WeakPolarHBondContact O-CA 3.44Å; S190-T193 WeakPolarHBondContact O-CB 3.46Å; S190-T193 PolarHBondContact O-N 3.42Å; S190-T193 PolarHBondContact O-OG1 2.97Å; A191-T193 PolarHBondContact O-N 2.86Å; T193-N196 PolarHBondContact O-N 3.12Å; T193-K197 PolarHBondContact O-N 2.65Å
194	W	40.8	Very low	60	Low	82 Å²	82	95 Å²	95	31%	0.311	50%	0.495	S	S	.	.	H	α-helix	trans	-66.5	-37.7	-176	-82.7	90	0	0	0	114.2	S190 A191 N196 E201 P203	S190-W194 VanDerWaalsContact C-CD1 3.44Å; S190-W194 VanDerWaalsContact O-CD1 3.23Å; S190-W194 PolarHBondContact O-N 3.19Å; S190-W194 PolarHBondContact OG-NE1 3.2Å; A191-W194 PolarHBondContact O-N 2.91Å; A191-W194 VanDerWaalsContact O-N 3.11Å; W194-N196 PolarHBondContact O-N 3.09Å; W194-E201 WeakPolarHBondContact CH2-O 3.39Å; W194-E201 WeakPolarHBondContact CZ2-O 3.38Å; W194-P203 HydrophobicContact CH2-CG 4.23Å; W194-P203 HydrophobicContact CZ2-CG 3.4Å
195	R	48.3	Very low	58.8	Low	215 Å²	215	96.6 Å²	96.6	81%	0.811	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-18.1	178.9	-79.2	-175.3	138.4	174.3	-3	113.7	A191	A191-R195 PolarHBondContact O-N 2.93Å
196	N	41.4	Very low	58.3	Low	151 Å²	151	96.7 Å²	96.7	81%	0.807	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.7	-7	-176.1	-81	-41.9	0	0	0	114.8	T193 W194	T193-N196 PolarHBondContact O-N 3.12Å; W194-N196 PolarHBondContact O-N 3.09Å
197	K	39.3	Very low	57.9	Low	120 Å²	120	97.4 Å²	97.4	52%	0.522	52%	0.519	S	S	.	.	S	Bend	trans	-105.3	123.1	-179.8	-124.9	-174.7	178	-163.5	0	110	T193 L199 E201	T193-K197 PolarHBondContact O-N 2.65Å; K197-L199 PolarHBondContact O-N 2.66Å; K197-E201 IonicContact NZ-OE2 3.39Å; K197-E201 PolarHBondContact NZ-OE2 2.94Å
198	N	36.9	Very low	57.7	Low	149 Å²	149	100.3 Å²	100.3	80%	0.797	53%	0.532	S	S	*	.			trans	-45.9	135.8	168.5	-69.5	-53.8	0	0	0	110.5	S200	N198-S200 PolarHBondContact O-N 2.82Å
199	L	40.3	Very low	57.7	Low	169 Å²	169	99.6 Å²	99.6	89%	0.885	53%	0.529	S	S	*	.	S	Bend	trans	-60	52.9	-175.3	-73	151.1	0	0	0	115	K197	K197-L199 PolarHBondContact O-N 2.66Å
200	S	37.8	Very low	58	Low	101 Å²	101	102 Å²	102	71%	0.706	54%	0.535	S	S	*	.	S	Bend	trans	-118.2	-7.5	-178.7	61.5	0	0	0	0	115.1	N198	N198-S200 PolarHBondContact O-N 2.82Å
201	E	42	Very low	58.9	Low	127 Å²	127	101 Å²	101	59%	0.593	53%	0.53	S	S	*	.			trans	-132.9	70.4	177.4	-70.6	178.9	156.5	0	0	110.5	W194 K197	W194-E201 WeakPolarHBondContact CH2-O 3.39Å; W194-E201 WeakPolarHBondContact CZ2-O 3.38Å; K197-E201 IonicContact NZ-OE2 3.39Å; K197-E201 PolarHBondContact NZ-OE2 2.94Å
202	T	49.5	Very low	60.7	Low	117 Å²	117	99.6 Å²	99.6	72%	0.718	52%	0.518	S	S	*	.			trans	-46.5	132.2	162.3	21.4	0	0	0	0	109.4	Q204	T202-Q204 PolarHBondContact O-N 3.43Å
203	P	53.7	Low	62.7	Low	49 Å²	49	95.1 Å²	95.1	32%	0.318	49%	0.494	S	S	.	.			trans	-55.1	140	171.9	-9.7	27.4	0	0	0	106.1	I187 W194 C205	I187-P203 HydrophobicContact CG1-CG 4.17Å; W194-P203 HydrophobicContact CH2-CG 4.23Å; W194-P203 HydrophobicContact CZ2-CG 3.4Å; P203-C205 PolarHBondContact O-N 3.3Å
204	Q	60.7	Low	65.1	Low	197 Å²	197	96.7 Å²	96.7	92%	0.921	50%	0.495	S	S	*	.			trans	-64.8	87.3	178.8	-69.1	-165.8	6.7	0	0	109	T202	T202-Q204 PolarHBondContact O-N 3.43Å
205	C	68	Low	67.8	Low	38 Å²	38	92.8 Å²	92.8	26%	0.257	48%	0.48	S	S	.	.			trans	-72.3	128.2	174.9	-175.1	0	0	0	0	107.2	P203 I213	P203-C205 PolarHBondContact O-N 3.3Å; C205-I213 VanDerWaalsContact SG-CG1 3.53Å
206	P	79.3	Confident	70.1	Confident	37 Å²	37	82.5 Å²	82.5	24%	0.24	44%	0.442	C	S	.	.			trans	-57.6	139.7	176.1	18.7	-26.6	0	0	0	109.6	L179 E208 A209 Q210	L179-P206 HydrophobicContact CB-CG 4.32Å; L179-P206 HydrophobicContact CD2-CG 4.31Å; P206-E208 PolarHBondContact O-N 3.33Å; P206-A209 HydrophobicContact CG-CB 3.91Å; P206-A209 PolarHBondContact O-N 3.47Å; P206-Q210 PolarHBondContact O-N 3.26Å
207	P	82.9	Confident	72.6	Confident	103 Å²	103	78 Å²	78	67%	0.669	42%	0.422	S	S	*	.	H	α-helix	trans	-51.5	-32.6	-177.7	-28	34.7	0	0	0	113.4	A209 Q210	P207-A209 VanDerWaalsContact C-N 3.32Å; P207-A209 PolarHBondContact O-N 3.04Å; P207-Q210 PolarHBondContact O-N 3.49Å
208	E	84.1	Confident	75.3	Confident	92 Å²	92	75.8 Å²	75.8	43%	0.43	41%	0.413	S	S	.	.	H	α-helix	trans	-71	-23.1	179.2	-56.9	95.3	144.3	0	0	114.1	L179 P206	L179-E208 HydrophobicContact CD1-CB 4.23Å; P206-E208 PolarHBondContact O-N 3.33Å
209	A	88.1	Confident	78.2	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-97.5	-14.7	176.9	0	0	0	0	0	112.9	L179 P206 P207 G211 Y212 I213	L179-A209 HydrophobicContact CB-CB 4.47Å; P206-A209 HydrophobicContact CG-CB 3.91Å; P206-A209 PolarHBondContact O-N 3.47Å; P207-A209 VanDerWaalsContact C-N 3.32Å; P207-A209 PolarHBondContact O-N 3.04Å; A209-G211 VanDerWaalsContact C-N 3.34Å; A209-G211 PolarHBondContact O-N 3.48Å; A209-Y212 PolarHBondContact O-N 3.33Å; A209-I213 PolarHBondContact O-N 3.37Å
210	Q	91.3	Very high	80.8	Confident	123 Å²	123	62.2 Å²	62.2	58%	0.575	34%	0.341	S	S	*	.	H	α-helix	trans	-55.8	-44.4	-173.1	-173.3	176	14.7	0	0	113.1	P206 P207 Y212 I213 Q214	P206-Q210 PolarHBondContact O-N 3.26Å; P207-Q210 PolarHBondContact O-N 3.49Å; Q210-Y212 PolarHBondContact O-N 3.45Å; Q210-I213 PolarHBondContact O-N 2.85Å; Q210-Q214 WeakPolarHBondContact O-CB 3.44Å; Q210-Q214 PolarHBondContact O-N 3.27Å
211	G	94.9	Very high	83.4	Confident	14 Å²	14	64.8 Å²	64.8	14%	0.144	34%	0.342	C	S	.	.	H	α-helix	trans	-61.6	-42.5	177.3	0	0	0	0	0	112.5	A209 Q214 S215 Y305 K306 G308	A209-G211 VanDerWaalsContact C-N 3.34Å; A209-G211 PolarHBondContact O-N 3.48Å; G211-Q214 PolarHBondContact O-N 2.95Å; G211-S215 WeakPolarHBondContact O-CB 3.38Å; G211-S215 PolarHBondContact O-N 3.44Å; G211-Y305 CarbonylContact C-O 3.55Å; G211-K306 WeakPolarHBondContact CA-O 3.46Å; G211-G308 VanDerWaalsContact O-CA 3.31Å; G211-G308 WeakPolarHBondContact O-CA 3.39Å
212	Y	96.4	Very high	85.9	Confident	2 Å²	2	61.3 Å²	61.3	1%	0.008	33%	0.328	C	S	.	.	H	α-helix	trans	-66.5	-39.9	176.3	-61.3	-67.1	0	0	0	112.4	Q176 F180 A209 Q210 S215 I216 T261 A304 K306	Q176-Y212 HydrophobicContact CB-CE2 4.34Å; Q176-Y212 PolarHBondContact OE1-OH 3.44Å; F180-Y212 VanDerWaalsContact CD2-CB 3.46Å; F180-Y212 HydrophobicContact CD2-CG 4.36Å; A209-Y212 PolarHBondContact O-N 3.33Å; Q210-Y212 PolarHBondContact O-N 3.45Å; Y212-S215 VanDerWaalsContact O-CB 3.3Å; Y212-S215 WeakPolarHBondContact O-CB 3.27Å; Y212-S215 PolarHBondContact O-N 3.19Å; Y212-I216 PolarHBondContact O-N 3.48Å; Y212-T261 HydrophobicContact CD1-CG2 3.85Å; Y212-T261 HydrophobicContact CD2-CG2 4.2Å; Y212-T261 HydrophobicContact CE1-CG2 3.84Å; Y212-T261 HydrophobicContact CE2-CG2 4.2Å; Y212-T261 HydrophobicContact CG-CG2 4.03Å; Y212-A304 HydrophobicContact CD1-CB 4.01Å; Y212-K306 HydrophobicContact CD1-CB 4.45Å; Y212-K306 VanDerWaalsContact CE1-CA 3.48Å; Y212-K306 HydrophobicContact CE1-CB 3.7Å; Y212-K306 HydrophobicContact CE1-CG 4.48Å; Y212-K306 HydrophobicContact CE2-CB 4.24Å; Y212-K306 HydrophobicContact CE2-CG 4.14Å
213	I	95.1	Very high	88.1	Confident	27 Å²	27	56.7 Å²	56.7	14%	0.138	30%	0.299	C	S	.	.	H	α-helix	trans	-65	-42.1	175.6	-64.5	-55.6	0	0	0	111.1	F180 A183 L184 I187 C205 A209 Q210 S215 I216 S217	F180-I213 HydrophobicContact CD2-CD1 3.9Å; F180-I213 HydrophobicContact CE2-CD1 3.93Å; A183-I213 HydrophobicContact CB-CD1 4.11Å; A183-I213 HydrophobicContact CB-CG1 4.33Å; L184-I213 HydrophobicContact CG-CD1 4.26Å; I187-I213 HydrophobicContact CD1-CD1 3.88Å; I187-I213 HydrophobicContact CD1-CG1 4.4Å; I187-I213 HydrophobicContact CD1-CG2 3.95Å; C205-I213 VanDerWaalsContact SG-CG1 3.53Å; A209-I213 PolarHBondContact O-N 3.37Å; Q210-I213 PolarHBondContact O-N 2.85Å; I213-S215 VanDerWaalsContact C-N 3.29Å; I213-S215 PolarHBondContact O-N 2.94Å; I213-I216 HydrophobicContact CD1-CD1 4.24Å; I213-I216 WeakPolarHBondContact O-CG1 3.44Å; I213-I216 PolarHBondContact O-N 3.45Å; I213-S217 PolarHBondContact O-N 3.09Å; I213-S217 VanDerWaalsContact O-N 3.16Å
214	Q	95.7	Very high	90	Very high	117 Å²	117	56.2 Å²	56.2	55%	0.547	30%	0.297	S	S	.	.	H	α-helix	trans	-59.2	-43.1	173.8	-179.5	178.4	-1.7	0	0	111.3	Q210 G211 I216 S217	Q210-Q214 WeakPolarHBondContact O-CB 3.44Å; Q210-Q214 PolarHBondContact O-N 3.27Å; G211-Q214 PolarHBondContact O-N 2.95Å; Q214-I216 VanDerWaalsContact C-N 3.3Å; Q214-I216 PolarHBondContact O-N 2.99Å; Q214-S217 WeakPolarHBondContact O-CB 3.43Å; Q214-S217 PolarHBondContact O-N 3.34Å; Q214-S217 PolarHBondContact O-OG 3.3Å
215	S	97.8	Very high	91.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-56.8	-40.4	179.4	-177.3	0	0	0	0	112.6	G211 Y212 I213 H218 Y305 S309 A311	G211-S215 WeakPolarHBondContact O-CB 3.38Å; G211-S215 PolarHBondContact O-N 3.44Å; Y212-S215 VanDerWaalsContact O-CB 3.3Å; Y212-S215 WeakPolarHBondContact O-CB 3.27Å; Y212-S215 PolarHBondContact O-N 3.19Å; I213-S215 VanDerWaalsContact C-N 3.29Å; I213-S215 PolarHBondContact O-N 2.94Å; S215-H218 PolarHBondContact O-CE1 3.3Å; S215-H218 PolarHBondContact O-ND1 2.65Å; S215-H218 VanDerWaalsContact O-ND1 3.16Å; S215-Y305 WeakPolarHBondContact CB-O 3.46Å; S215-Y305 PolarHBondContact OG-N 3.44Å; S215-S309 WeakPolarHBondContact CA-O 3.31Å; S215-S309 WeakPolarHBondContact CB-O 3.49Å; S215-S309 PolarHBondContact OG-O 2.96Å; S215-A311 VanDerWaalsContact O-CB 3.27Å; S215-A311 WeakPolarHBondContact O-CB 3.36Å; S215-A311 PolarHBondContact O-N 3.1Å; S215-A311 WeakPolarHBondContact OG-CA 3.08Å; S215-A311 PolarHBondContact OG-N 3.39Å; S215-A311 VanDerWaalsContact OG-N 3.16Å
216	I	97.3	Very high	92.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-94.1	-1.5	-177.2	64.6	166.3	0	0	0	114.6	F180 L184 Y212 I213 Q214 H218 V219 L220 W259 V302 A304 A311	F180-I216 HydrophobicContact CE2-CD1 3.81Å; F180-I216 HydrophobicContact CE2-CG1 4.44Å; F180-I216 HydrophobicContact CZ-CD1 4.03Å; F180-I216 HydrophobicContact CZ-CG2 4.3Å; L184-I216 HydrophobicContact CD1-CD1 4.1Å; L184-I216 HydrophobicContact CD2-CD1 3.45Å; L184-I216 VanDerWaalsContact CD2-CD1 3.45Å; L184-I216 HydrophobicContact CG-CD1 3.9Å; Y212-I216 PolarHBondContact O-N 3.48Å; I213-I216 HydrophobicContact CD1-CD1 4.24Å; I213-I216 WeakPolarHBondContact O-CG1 3.44Å; I213-I216 PolarHBondContact O-N 3.45Å; Q214-I216 VanDerWaalsContact C-N 3.3Å; Q214-I216 PolarHBondContact O-N 2.99Å; I216-H218 VanDerWaalsContact C-N 3.31Å; I216-H218 PolarHBondContact O-N 2.72Å; I216-V219 WeakPolarHBondContact O-CA 3.49Å; I216-V219 WeakPolarHBondContact O-CB 2.92Å; I216-V219 PolarHBondContact O-N 2.67Å; I216-L220 HydrophobicContact CD1-CD1 3.79Å; I216-L220 HydrophobicContact CD1-CD2 4.29Å; I216-L220 HydrophobicContact CD1-CG 4.03Å; I216-L220 HydrophobicContact CG1-CD1 3.96Å; I216-L220 HydrophobicContact CG1-CG 4.23Å; I216-L220 PolarHBondContact O-N 3.06Å; I216-W259 HydrophobicContact CB-CZ3 4.28Å; I216-W259 HydrophobicContact CD1-CE3 4.16Å; I216-W259 HydrophobicContact CD1-CZ3 3.93Å; I216-W259 HydrophobicContact CG2-CE3 4.43Å; I216-W259 HydrophobicContact CG2-CZ3 4.33Å; I216-V302 HydrophobicContact CG2-CG1 3.81Å; I216-A304 HydrophobicContact CG2-CB 3.54Å; I216-A311 HydrophobicContact CB-CB 4.5Å; I216-A311 HydrophobicContact CG2-CB 3.77Å
217	S	94.8	Very high	93.2	Very high	56 Å²	56	47.9 Å²	47.9	39%	0.392	26%	0.256	S	S	.	.	H	α-helix	trans	-50.6	-49.2	-173.9	55.7	0	0	0	0	112.8	I213 Q214 V219 L220 E221	I213-S217 PolarHBondContact O-N 3.09Å; I213-S217 VanDerWaalsContact O-N 3.16Å; Q214-S217 WeakPolarHBondContact O-CB 3.43Å; Q214-S217 PolarHBondContact O-N 3.34Å; Q214-S217 PolarHBondContact O-OG 3.3Å; S217-V219 VanDerWaalsContact C-N 3.28Å; S217-V219 PolarHBondContact O-N 3.49Å; S217-L220 WeakPolarHBondContact O-CB 3.43Å; S217-L220 PolarHBondContact O-N 2.63Å; S217-L220 VanDerWaalsContact O-N 3.16Å; S217-E221 PolarHBondContact O-N 2.7Å
218	H	95	Very high	93.8	Very high	73 Å²	73	43 Å²	43	34%	0.338	22%	0.224	S	C	.	.	H	α-helix	trans	-63.8	-26.8	176.3	73.7	-77.4	0	0	0	114.3	S215 I216 A311	S215-H218 PolarHBondContact O-CE1 3.3Å; S215-H218 PolarHBondContact O-ND1 2.65Å; S215-H218 VanDerWaalsContact O-ND1 3.16Å; I216-H218 VanDerWaalsContact C-N 3.31Å; I216-H218 PolarHBondContact O-N 2.72Å; H218-A311 PolarHBondContact CE1-N 2.92Å
219	V	96.8	Very high	94.3	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-76.6	-39	175.1	-175.5	0	0	0	0	110	I216 S217 E221 D222 V223 Y250 W259 V302 A311 A313	I216-V219 WeakPolarHBondContact O-CA 3.49Å; I216-V219 WeakPolarHBondContact O-CB 2.92Å; I216-V219 PolarHBondContact O-N 2.67Å; S217-V219 VanDerWaalsContact C-N 3.28Å; S217-V219 PolarHBondContact O-N 3.49Å; V219-E221 VanDerWaalsContact C-N 3.27Å; V219-E221 PolarHBondContact O-N 2.91Å; V219-D222 PolarHBondContact O-N 3.28Å; V219-D222 VanDerWaalsContact O-N 3.11Å; V219-V223 WeakPolarHBondContact O-CG2 3.48Å; V219-V223 PolarHBondContact O-N 3.22Å; V219-Y250 HydrophobicContact CG1-CD2 4.35Å; V219-Y250 HydrophobicContact CG1-CE2 3.78Å; V219-W259 HydrophobicContact CG1-CH2 4.5Å; V219-W259 HydrophobicContact CG1-CZ3 4.41Å; V219-V302 HydrophobicContact CB-CG1 4.49Å; V219-V302 HydrophobicContact CG1-CG1 4.24Å; V219-V302 HydrophobicContact CG1-CG2 3.95Å; V219-V302 HydrophobicContact CG2-CG1 4.16Å; V219-A311 HydrophobicContact CG2-CB 4.35Å; V219-A313 HydrophobicContact CG1-CB 4.41Å; V219-A313 HydrophobicContact CG2-CB 4.21Å
220	L	94.9	Very high	94.6	Very high	33 Å²	33	41.1 Å²	41.1	17%	0.173	22%	0.216	C	C	.	.	H	α-helix	trans	-63.6	-31.4	178.9	-69.7	173.4	0	0	0	112.6	L184 I187 L188 I216 S217 D222 V223 W259	L184-L220 HydrophobicContact CD2-CD2 3.98Å; I187-L220 HydrophobicContact CG2-CD1 4.28Å; L188-L220 HydrophobicContact CD2-CD2 4Å; I216-L220 HydrophobicContact CD1-CD1 3.79Å; I216-L220 HydrophobicContact CD1-CD2 4.29Å; I216-L220 HydrophobicContact CD1-CG 4.03Å; I216-L220 HydrophobicContact CG1-CD1 3.96Å; I216-L220 HydrophobicContact CG1-CG 4.23Å; I216-L220 PolarHBondContact O-N 3.06Å; S217-L220 WeakPolarHBondContact O-CB 3.43Å; S217-L220 PolarHBondContact O-N 2.63Å; S217-L220 VanDerWaalsContact O-N 3.16Å; L220-D222 PolarHBondContact O-N 2.87Å; L220-V223 PolarHBondContact O-N 3.1Å; L220-V223 VanDerWaalsContact O-N 3.11Å; L220-W259 HydrophobicContact CD2-CH2 3.71Å; L220-W259 HydrophobicContact CD2-CZ2 4.24Å; L220-W259 HydrophobicContact CD2-CZ3 4.4Å
221	E	93.2	Very high	94.8	Very high	156 Å²	156	35.3 Å²	35.3	73%	0.729	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-32.4	173.5	-69.6	173.8	-164	0	0	112.8	S217 V219	S217-E221 PolarHBondContact O-N 2.7Å; V219-E221 VanDerWaalsContact C-N 3.27Å; V219-E221 PolarHBondContact O-N 2.91Å
222	D	95.5	Very high	94.9	Very high	54 Å²	54	35.3 Å²	35.3	29%	0.289	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-5.7	179.1	-79.7	-26.2	0	0	0	112.9	V219 L220 Y250 R251	V219-D222 PolarHBondContact O-N 3.28Å; V219-D222 VanDerWaalsContact O-N 3.11Å; L220-D222 PolarHBondContact O-N 2.87Å; D222-Y250 HydrophobicContact CB-CD2 3.78Å; D222-Y250 HydrophobicContact CB-CE2 3.44Å; D222-Y250 VanDerWaalsContact CB-CE2 3.44Å; D222-Y250 WeakPolarHBondContact O-CA 3.21Å; D222-R251 HydrophobicContact CB-CG 3.92Å; D222-R251 PolarHBondContact O-N 2.99Å; D222-R251 IonicContact OD2-CZ 3.33Å; D222-R251 IonicContact OD2-NE 2.8Å; D222-R251 PolarHBondContact OD2-NE 2.98Å; D222-R251 IonicContact OD2-NH2 2.94Å; D222-R251 PolarHBondContact OD2-NH2 2.94Å
223	V	95	Very high	94.9	Very high	19 Å²	19	35.2 Å²	35.2	12%	0.115	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	132	178.8	175	0	0	0	0	110.5	L188 V219 L220 V226 A248 R249 Y250 I257 W259	L188-V223 HydrophobicContact CD2-CG1 4.22Å; V219-V223 WeakPolarHBondContact O-CG2 3.48Å; V219-V223 PolarHBondContact O-N 3.22Å; L220-V223 PolarHBondContact O-N 3.1Å; L220-V223 VanDerWaalsContact O-N 3.11Å; V223-V226 HydrophobicContact CG1-CG2 4.48Å; V223-A248 HydrophobicContact CG1-CB 3.79Å; V223-R249 CarbonylContact C-O 3.56Å; V223-R249 WeakPolarHBondContact CA-O 3.42Å; V223-Y250 HydrophobicContact CG2-CD2 4.07Å; V223-I257 HydrophobicContact CG1-CD1 4.38Å; V223-I257 HydrophobicContact CG2-CD1 4.15Å; V223-W259 HydrophobicContact CG2-CH2 4.39Å
224	S	92.6	Very high	94.9	Very high	39 Å²	39	36.9 Å²	36.9	27%	0.273	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	169.2	-179.4	55.5	0	0	0	0	111.7	V226 R249	S224-V226 PolarHBondContact O-N 2.96Å; S224-R249 PolarHBondContact N-O 3.31Å; S224-R249 WeakPolarHBondContact O-CA 3.5Å; S224-R249 WeakPolarHBondContact O-CB 3.46Å; S224-R249 PolarHBondContact O-N 3.44Å
225	A	90.9	Very high	94.9	Very high	29 Å²	29	31.8 Å²	31.8	24%	0.24	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	48	60.4	175.6	0	0	0	0	0	112.7	R227 R249	A225-R227 PolarHBondContact O-N 3.26Å; A225-R249 HydrophobicContact CB-CB 4.48Å; A225-R249 HydrophobicContact CB-CG 4.18Å
226	V	93.1	Very high	94.6	Very high	27 Å²	27	33.7 Å²	33.7	16%	0.164	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	117.7	-179.8	-170.9	0	0	0	0	109.3	P117 L188 V223 S224 I229 A248	P117-V226 HydrophobicContact CB-CG1 4.08Å; L188-V226 HydrophobicContact CD2-CG2 4.2Å; V223-V226 HydrophobicContact CG1-CG2 4.48Å; S224-V226 PolarHBondContact O-N 2.96Å; V226-I229 HydrophobicContact CG1-CD1 3.73Å; V226-I229 HydrophobicContact CG1-CG1 3.43Å; V226-I229 VanDerWaalsContact CG1-CG1 3.43Å; V226-A248 HydrophobicContact CB-CB 4.32Å; V226-A248 HydrophobicContact CG1-CB 4.38Å; V226-A248 HydrophobicContact CG2-CB 4.03Å
227	R	92.7	Very high	94.4	Very high	41 Å²	41	37.8 Å²	37.8	16%	0.155	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	-27.9	-175.8	-60.6	-163.8	174.1	-155.5	-8.6	113.7	A118 A225 V247 L254 Y294	A118-R227 WeakPolarHBondContact CB-O 3.29Å; A118-R227 PolarHBondContact N-O 2.95Å; A225-R227 PolarHBondContact O-N 3.26Å; R227-V247 HydrophobicContact CB-CG1 4.46Å; R227-V247 PolarHBondContact N-O 3.48Å; R227-L254 HydrophobicContact CG-CD1 4.22Å; R227-Y294 HydrophobicContact CB-CE1 4.04Å; R227-Y294 HydrophobicContact CB-CE2 4.38Å; R227-Y294 WeakPolarHBondContact CB-OH 3.43Å
228	A	94	Very high	94.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	146.5	176.9	0	0	0	0	0	110.6	A118 C246 V247 Y292	A118-A228 HydrophobicContact CB-CB 4.14Å; A118-A228 VanDerWaalsContact O-CA 3.24Å; A118-A228 WeakPolarHBondContact O-CA 3.43Å; A228-C246 CarbonylContact O-C 3.52Å; A228-C246 WeakPolarHBondContact O-CA 3.45Å; A228-V247 HydrophobicContact CB-CB 4.07Å; A228-V247 HydrophobicContact CB-CG2 3.98Å; A228-V247 PolarHBondContact N-O 3.28Å; A228-V247 PolarHBondContact O-N 2.93Å; A228-Y292 HydrophobicContact CB-CE1 4.24Å
229	I	94.8	Very high	94.4	Very high	8 Å²	8	36.2 Å²	36.2	4%	0.041	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	133.8	176.2	-57.3	172.6	0	0	0	108.5	P117 A118 E185 L188 V226 S231 D245	P117-I229 HydrophobicContact CB-CD1 4Å; P117-I229 HydrophobicContact CB-CG1 3.9Å; P117-I229 HydrophobicContact CG-CD1 3.61Å; P117-I229 HydrophobicContact CG-CG1 4.08Å; A118-I229 PolarHBondContact O-N 2.8Å; A118-I229 VanDerWaalsContact O-N 3.08Å; E185-I229 HydrophobicContact CB-CG2 4.26Å; E185-I229 HydrophobicContact CG-CG2 3.84Å; L188-I229 HydrophobicContact CB-CD1 3.62Å; V226-I229 HydrophobicContact CG1-CD1 3.73Å; V226-I229 HydrophobicContact CG1-CG1 3.43Å; V226-I229 VanDerWaalsContact CG1-CG1 3.43Å; I229-S231 PolarHBondContact O-N 3.26Å; I229-S231 VanDerWaalsContact O-N 3.12Å; I229-D245 WeakPolarHBondContact CA-O 3.43Å
230	E	95.4	Very high	94.4	Very high	46 Å²	46	36.2 Å²	36.2	22%	0.215	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	45.7	46.8	177.8	-69.5	-67.2	158.2	0	0	111.9	H181 V244 D245	H181-E230 IonicContact ND1-OE1 3.87Å; H181-E230 PolarHBondContact ND1-OE1 3.27Å; E230-V244 CarbonylContact C-O 3.59Å; E230-V244 VanDerWaalsContact CA-O 3.23Å; E230-V244 WeakPolarHBondContact CA-O 3.4Å; E230-V244 PolarHBondContact N-O 3.2Å; E230-D245 PolarHBondContact N-O 3.03Å
231	S	95.8	Very high	94.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	136.1	-166.7	-165.7	0	0	0	0	111.7	I120 I229 I243 V244 Y292	I120-S231 PolarHBondContact N-OG 3.5Å; I229-S231 PolarHBondContact O-N 3.26Å; I229-S231 VanDerWaalsContact O-N 3.12Å; S231-I243 WeakPolarHBondContact O-CA 3.48Å; S231-V244 PolarHBondContact N-O 3.08Å; S231-V244 VanDerWaalsContact N-O 3.09Å; S231-V244 WeakPolarHBondContact O-CG2 3.29Å; S231-V244 PolarHBondContact O-N 3.24Å; S231-Y292 WeakPolarHBondContact CB-OH 3.48Å; S231-Y292 PolarHBondContact OG-OH 2.97Å
232	S	96.4	Very high	94.6	Very high	14 Å²	14	28.2 Å²	28.2	10%	0.098	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	133.5	177	176.1	0	0	0	0	111.3	I120 L122 G242 Y292	I120-S232 WeakPolarHBondContact O-CB 3.23Å; I120-S232 PolarHBondContact O-N 3.15Å; L122-S232 WeakPolarHBondContact CD2-OG 3.46Å; S232-G242 WeakPolarHBondContact CA-O 3.21Å; S232-Y292 PolarHBondContact O-OH 3.32Å
233	V	96.3	Very high	94.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	140.9	170.2	-65.1	0	0	0	0	110.1	L241 G242 V244 Y282 A285 L286 Y292	V233-L241 CarbonylContact O-C 3.53Å; V233-L241 VanDerWaalsContact O-CA 3.25Å; V233-L241 WeakPolarHBondContact O-CA 3.46Å; V233-L241 WeakPolarHBondContact O-CB 3.39Å; V233-G242 PolarHBondContact N-O 2.93Å; V233-G242 PolarHBondContact O-N 2.97Å; V233-V244 HydrophobicContact CB-CG1 4.4Å; V233-V244 HydrophobicContact CG1-CG1 3.69Å; V233-V244 HydrophobicContact CG1-CG2 4.38Å; V233-V244 HydrophobicContact CG2-CG1 3.76Å; V233-Y282 HydrophobicContact CG2-CD1 4.29Å; V233-A285 HydrophobicContact CB-CB 3.96Å; V233-A285 HydrophobicContact CG2-CB 3.8Å; V233-L286 HydrophobicContact CG1-CB 3.94Å; V233-L286 HydrophobicContact CG1-CD1 4.26Å; V233-L286 HydrophobicContact CG1-CG 4.38Å; V233-Y292 HydrophobicContact CG1-CE2 3.79Å
234	Q	95.4	Very high	94.7	Very high	62 Å²	62	27.9 Å²	27.9	29%	0.29	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	128.1	177.3	-177	-177.8	-13.9	0	0	111.5	G236 L241 D289	Q234-G236 PolarHBondContact O-N 2.92Å; Q234-L241 HydrophobicContact CB-CB 4.46Å; Q234-L241 HydrophobicContact CG-CB 4.5Å; Q234-D289 PolarHBondContact N-OD2 3.14Å; Q234-D289 WeakPolarHBondContact O-CB 3.35Å
235	H	95.4	Very high	94.9	Very high	10 Å²	10	26.8 Å²	26.8	5%	0.046	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	104.2	167.9	-160	-43.8	0	0	0	109.9	L238 N239 Y240 G284 A285 S288 W325	H235-L238 HydrophobicContact CB-CB 4.14Å; H235-L238 PolarHBondContact ND1-N 3.39Å; H235-N239 WeakPolarHBondContact O-CA 3.43Å; H235-N239 PolarHBondContact O-N 2.86Å; H235-Y240 HydrophobicContact CB-CD1 3.84Å; H235-Y240 HydrophobicContact CB-CE1 3.39Å; H235-Y240 HydrophobicContact CB-CE2 4.3Å; H235-Y240 HydrophobicContact CB-CG 4.44Å; H235-Y240 AromaticContact CD2-CE1 3.9Å; H235-Y240 AromaticContact CG-CE1 3.83Å; H235-Y240 PolarHBondContact N-O 3.37Å; H235-G284 PolarHBondContact CD2-O 3.24Å; H235-A285 HydrophobicContact CB-CB 4.11Å; H235-S288 PolarHBondContact CE1-OG 2.72Å; H235-S288 VanDerWaalsContact CE1-OG 3.27Å; H235-S288 PolarHBondContact ND1-OG 3.04Å; H235-W325 AromaticContact CD2-CH2 3.93Å
236	G	92	Very high	95.1	Very high	40 Å²	40	25.4 Å²	25.4	41%	0.412	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-54.7	-177.1	0	0	0	0	0	113.4	Q234 L238 N239	Q234-G236 PolarHBondContact O-N 2.92Å; G236-L238 PolarHBondContact O-N 3.12Å; G236-N239 PolarHBondContact O-N 3.33Å; G236-N239 PolarHBondContact O-OD1 3.32Å; G236-N239 VanDerWaalsContact O-OD1 3.12Å
237	S	92.9	Very high	95.3	Very high	86 Å²	86	24.1 Å²	24.1	60%	0.601	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-37.3	-177.3	-46.1	0	0	0	0	113.7
238	L	94.6	Very high	95.5	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.016	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-4.8	179.1	-72.5	-179.5	0	0	0	113.7	H98 H235 G236 Y240 W325 L329 L332 R336	H98-L238 HydrophobicContact CB-CD1 4.15Å; H98-L238 VanDerWaalsContact CD2-CD2 3.41Å; H98-L238 WeakPolarHBondContact CD2-CD2 3.44Å; H98-L238 WeakPolarHBondContact NE2-CD2 3.42Å; H235-L238 HydrophobicContact CB-CB 4.14Å; H235-L238 PolarHBondContact ND1-N 3.39Å; G236-L238 PolarHBondContact O-N 3.12Å; L238-Y240 HydrophobicContact CB-CD1 3.66Å; L238-Y240 HydrophobicContact CB-CE1 3.62Å; L238-Y240 HydrophobicContact CD1-CE1 3.94Å; L238-Y240 HydrophobicContact CG-CE1 4.45Å; L238-Y240 PolarHBondContact O-N 3.35Å; L238-W325 HydrophobicContact CD1-CH2 3.64Å; L238-W325 HydrophobicContact CD1-CZ2 3.77Å; L238-L329 HydrophobicContact CD1-CD2 3.57Å; L238-L329 HydrophobicContact CD2-CD2 4.43Å; L238-L332 HydrophobicContact CB-CD2 3.93Å; L238-L332 HydrophobicContact CD1-CD2 4.25Å; L238-L332 HydrophobicContact CD2-CD2 3.95Å; L238-L332 HydrophobicContact CG-CD2 4.28Å; L238-R336 VanDerWaalsContact C-NH2 3.34Å; L238-R336 PolarHBondContact O-NH2 3.07Å
239	N	94.4	Very high	95.6	Very high	93 Å²	93	25.7 Å²	25.7	50%	0.497	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	52.2	174.6	-70.7	-59.2	0	0	0	113.9	P132 H235 G236	P132-N239 WeakPolarHBondContact CD-O 3.47Å; H235-N239 WeakPolarHBondContact O-CA 3.43Å; H235-N239 PolarHBondContact O-N 2.86Å; G236-N239 PolarHBondContact O-N 3.33Å; G236-N239 PolarHBondContact O-OD1 3.32Å; G236-N239 VanDerWaalsContact O-OD1 3.12Å
240	Y	96.5	Very high	95.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	162.7	167.6	72.8	-91	0	0	0	110.5	P132 V134 H235 L238 A281 A285 W325 W328 L332	P132-Y240 WeakPolarHBondContact O-CA 3.44Å; V134-Y240 HydrophobicContact CG2-CD2 3.63Å; V134-Y240 HydrophobicContact CG2-CE2 3.76Å; H235-Y240 HydrophobicContact CB-CD1 3.84Å; H235-Y240 HydrophobicContact CB-CE1 3.39Å; H235-Y240 HydrophobicContact CB-CE2 4.3Å; H235-Y240 HydrophobicContact CB-CG 4.44Å; H235-Y240 AromaticContact CD2-CE1 3.9Å; H235-Y240 AromaticContact CG-CE1 3.83Å; H235-Y240 PolarHBondContact N-O 3.37Å; L238-Y240 HydrophobicContact CB-CD1 3.66Å; L238-Y240 HydrophobicContact CB-CE1 3.62Å; L238-Y240 HydrophobicContact CD1-CE1 3.94Å; L238-Y240 HydrophobicContact CG-CE1 4.45Å; L238-Y240 PolarHBondContact O-N 3.35Å; Y240-A281 HydrophobicContact CE2-CB 4.4Å; Y240-A281 WeakPolarHBondContact CE2-O 3.34Å; Y240-A281 PolarHBondContact OH-O 2.99Å; Y240-A285 HydrophobicContact CE2-CB 3.71Å; Y240-A285 PolarHBondContact OH-N 3.15Å; Y240-W325 WeakPolarHBondContact OH-CH2 3.42Å; Y240-W325 VanDerWaalsContact OH-CZ3 3.29Å; Y240-W325 WeakPolarHBondContact OH-CZ3 3.33Å; Y240-W328 AromaticContact CD1-CZ2 3.84Å; Y240-W328 HydrophobicContact CD1-CZ2 3.84Å; Y240-W328 HydrophobicContact CD2-CH2 4.38Å; Y240-W328 AromaticContact CD2-CZ2 3.63Å; Y240-W328 HydrophobicContact CD2-CZ2 3.63Å; Y240-W328 AromaticContact CE1-CZ2 3.93Å; Y240-W328 HydrophobicContact CE1-CZ2 3.93Å; Y240-W328 AromaticContact CE1-NE1 3.51Å; Y240-W328 AromaticContact CE2-CZ2 3.71Å; Y240-W328 HydrophobicContact CE2-CZ2 3.71Å; Y240-W328 AromaticContact CG-CZ2 3.7Å; Y240-W328 HydrophobicContact CG-CZ2 3.7Å; Y240-W328 AromaticContact CZ-CE2 3.92Å; Y240-W328 AromaticContact CZ-CZ2 3.88Å; Y240-W328 AromaticContact CZ-NE1 3.46Å; Y240-L332 HydrophobicContact CD1-CD2 4.04Å; Y240-L332 HydrophobicContact CE1-CD2 4.4Å
241	L	96.5	Very high	95.7	Very high	19 Å²	19	31.1 Å²	31.1	10%	0.099	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	165.8	179	60.9	77.4	0	0	0	112.5	L122 I131 P132 S133 V134 V233 Q234	L122-L241 HydrophobicContact CD2-CD1 3.94Å; L122-L241 HydrophobicContact CD2-CD2 4.29Å; I131-L241 HydrophobicContact CB-CD2 3.89Å; I131-L241 HydrophobicContact CB-CG 4.43Å; I131-L241 HydrophobicContact CG2-CB 4.21Å; I131-L241 HydrophobicContact CG2-CD2 3.81Å; I131-L241 HydrophobicContact CG2-CG 3.88Å; P132-L241 PolarHBondContact O-N 2.91Å; P132-L241 VanDerWaalsContact O-N 3.08Å; S133-L241 CarbonylContact C-O 3.54Å; S133-L241 WeakPolarHBondContact CA-O 3.43Å; V134-L241 PolarHBondContact N-O 3.08Å; V233-L241 CarbonylContact O-C 3.53Å; V233-L241 VanDerWaalsContact O-CA 3.25Å; V233-L241 WeakPolarHBondContact O-CA 3.46Å; V233-L241 WeakPolarHBondContact O-CB 3.39Å; Q234-L241 HydrophobicContact CB-CB 4.46Å; Q234-L241 HydrophobicContact CG-CB 4.5Å
242	G	95.8	Very high	95.6	Very high	3 Å²	3	33.1 Å²	33.1	3%	0.031	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	170.4	178.7	0	0	0	0	0	112.1	S232 V233	S232-G242 WeakPolarHBondContact CA-O 3.21Å; V233-G242 PolarHBondContact N-O 2.93Å; V233-G242 PolarHBondContact O-N 2.97Å
243	I	96.7	Very high	95.6	Very high	65 Å²	65	34.9 Å²	34.9	33%	0.333	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	122.9	164	-51.5	176.4	0	0	0	105	L122 S231 Y282	L122-I243 HydrophobicContact CD1-CD1 3.43Å; L122-I243 VanDerWaalsContact CD1-CD1 3.43Å; L122-I243 HydrophobicContact CD1-CG1 3.3Å; L122-I243 HydrophobicContact CG-CD1 4.45Å; L122-I243 HydrophobicContact CG-CG1 4.07Å; S231-I243 WeakPolarHBondContact O-CA 3.48Å; I243-Y282 WeakPolarHBondContact O-CE2 3.33Å; I243-Y282 PolarHBondContact O-OH 2.89Å
244	V	96.6	Very high	95.6	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	133.8	173.4	-54.7	0	0	0	0	108.5	E230 S231 V233 V247 Y282	E230-V244 CarbonylContact C-O 3.59Å; E230-V244 VanDerWaalsContact CA-O 3.23Å; E230-V244 WeakPolarHBondContact CA-O 3.4Å; E230-V244 PolarHBondContact N-O 3.2Å; S231-V244 PolarHBondContact N-O 3.08Å; S231-V244 VanDerWaalsContact N-O 3.09Å; S231-V244 WeakPolarHBondContact O-CG2 3.29Å; S231-V244 PolarHBondContact O-N 3.24Å; V233-V244 HydrophobicContact CB-CG1 4.4Å; V233-V244 HydrophobicContact CG1-CG1 3.69Å; V233-V244 HydrophobicContact CG1-CG2 4.38Å; V233-V244 HydrophobicContact CG2-CG1 3.76Å; V244-V247 HydrophobicContact CG2-CG2 3.9Å; V244-Y282 HydrophobicContact CG1-CD1 4.37Å; V244-Y282 HydrophobicContact CG1-CD2 4.21Å; V244-Y282 HydrophobicContact CG1-CG 3.87Å
245	D	96.7	Very high	95.7	Very high	17 Å²	17	33 Å²	33	9%	0.091	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	-50.1	179.7	-52.5	-18.1	0	0	0	109.8	H181 I229 E230 D258 W259	H181-D245 IonicContact CE1-OD1 2.87Å; H181-D245 IonicContact CE1-OD2 2.84Å; H181-D245 PolarHBondContact CE1-OD2 3.4Å; H181-D245 IonicContact ND1-OD1 3.78Å; H181-D245 IonicContact ND1-OD2 3.53Å; I229-D245 WeakPolarHBondContact CA-O 3.43Å; E230-D245 PolarHBondContact N-O 3.03Å; D245-D258 WeakPolarHBondContact OD2-CA 3.43Å; D245-W259 PolarHBondContact OD2-N 3.17Å
246	C	95.9	Very high	95.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	147.2	-178.8	176.6	0	0	0	0	111.9	L188 A228 I257	L188-C246 HydrophobicContact CD1-CB 4.35Å; A228-C246 CarbonylContact O-C 3.52Å; A228-C246 WeakPolarHBondContact O-CA 3.45Å; C246-I257 HydrophobicContact CB-CB 4.17Å; C246-I257 PolarHBondContact N-O 2.84Å; C246-I257 PolarHBondContact O-N 3.04Å
247	V	97	Very high	96.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	115.8	165.9	-172.9	0	0	0	0	107.8	R227 A228 V244 L254 C255 I256 L286 Y294 V296	R227-V247 HydrophobicContact CB-CG1 4.46Å; R227-V247 PolarHBondContact N-O 3.48Å; A228-V247 HydrophobicContact CB-CB 4.07Å; A228-V247 HydrophobicContact CB-CG2 3.98Å; A228-V247 PolarHBondContact N-O 3.28Å; A228-V247 PolarHBondContact O-N 2.93Å; V244-V247 HydrophobicContact CG2-CG2 3.9Å; V247-L254 HydrophobicContact CG1-CD1 4.08Å; V247-C255 WeakPolarHBondContact CA-O 3.48Å; V247-I256 HydrophobicContact CB-CD1 4.47Å; V247-I256 HydrophobicContact CG1-CD1 4.24Å; V247-I256 HydrophobicContact CG2-CD1 3.54Å; V247-L286 HydrophobicContact CG2-CD1 3.85Å; V247-Y294 HydrophobicContact CG1-CE2 3.96Å; V247-V296 HydrophobicContact CG1-CG2 3.82Å
248	A	96	Very high	96.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	168	-175.6	0	0	0	0	0	111.2	V223 V226 C255 I257	V223-A248 HydrophobicContact CG1-CB 3.79Å; V226-A248 HydrophobicContact CB-CB 4.32Å; V226-A248 HydrophobicContact CG1-CB 4.38Å; V226-A248 HydrophobicContact CG2-CB 4.03Å; A248-C255 PolarHBondContact N-O 3.19Å; A248-C255 PolarHBondContact O-N 3.49Å; A248-I257 HydrophobicContact CB-CD1 3.91Å
249	R	96	Very high	96.6	Very high	74 Å²	74	26.7 Å²	26.7	28%	0.279	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	123.8	169.6	-68.8	-174.8	-178.7	-93.7	3.7	109.8	V223 S224 A225 G252 V253 L254	V223-R249 CarbonylContact C-O 3.56Å; V223-R249 WeakPolarHBondContact CA-O 3.42Å; S224-R249 PolarHBondContact N-O 3.31Å; S224-R249 WeakPolarHBondContact O-CA 3.5Å; S224-R249 WeakPolarHBondContact O-CB 3.46Å; S224-R249 PolarHBondContact O-N 3.44Å; A225-R249 HydrophobicContact CB-CB 4.48Å; A225-R249 HydrophobicContact CB-CG 4.18Å; R249-G252 PolarHBondContact NH1-O 2.86Å; R249-V253 CarbonylContact C-O 3.52Å; R249-V253 VanDerWaalsContact CA-O 3.25Å; R249-V253 WeakPolarHBondContact CA-O 3.25Å; R249-L254 HydrophobicContact CG-CB 4.46Å; R249-L254 HydrophobicContact CG-CD1 4.32Å
250	Y	96.9	Very high	96.7	Very high	10 Å²	10	24.4 Å²	24.4	4%	0.039	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	119.7	167.1	177.7	-109.7	0	0	0	108.5	V219 D222 V223 G252 V253 L300	V219-Y250 HydrophobicContact CG1-CD2 4.35Å; V219-Y250 HydrophobicContact CG1-CE2 3.78Å; D222-Y250 HydrophobicContact CB-CD2 3.78Å; D222-Y250 HydrophobicContact CB-CE2 3.44Å; D222-Y250 VanDerWaalsContact CB-CE2 3.44Å; D222-Y250 WeakPolarHBondContact O-CA 3.21Å; V223-Y250 HydrophobicContact CG2-CD2 4.07Å; Y250-G252 PolarHBondContact O-N 3.45Å; Y250-V253 PolarHBondContact N-O 3.01Å; Y250-V253 PolarHBondContact O-N 3.42Å; Y250-L300 HydrophobicContact CD1-CD1 3.98Å; Y250-L300 HydrophobicContact CD1-CD2 3.91Å; Y250-L300 HydrophobicContact CD2-CD2 3.76Å; Y250-L300 HydrophobicContact CE1-CD1 4.01Å; Y250-L300 HydrophobicContact CE1-CD2 4.4Å; Y250-L300 HydrophobicContact CE2-CD2 4.28Å; Y250-L300 HydrophobicContact CG-CD1 4.48Å; Y250-L300 HydrophobicContact CG-CD2 3.56Å
251	R	95.9	Very high	96.7	Very high	158 Å²	158	26.2 Å²	26.2	60%	0.596	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.6	41.3	-174.9	-60.5	-178	171.2	171.5	-0.1	112.8	D222 V253	D222-R251 HydrophobicContact CB-CG 3.92Å; D222-R251 PolarHBondContact O-N 2.99Å; D222-R251 IonicContact OD2-CZ 3.33Å; D222-R251 IonicContact OD2-NE 2.8Å; D222-R251 PolarHBondContact OD2-NE 2.98Å; D222-R251 IonicContact OD2-NH2 2.94Å; D222-R251 PolarHBondContact OD2-NH2 2.94Å; R251-V253 VanDerWaalsContact C-N 3.28Å; R251-V253 PolarHBondContact O-N 3.47Å
252	G	93.9	Very high	96.6	Very high	41 Å²	41	26.3 Å²	26.3	42%	0.423	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	-9.5	-179.5	0	0	0	0	0	115.7	R249 Y250	R249-G252 PolarHBondContact NH1-O 2.86Å; Y250-G252 PolarHBondContact O-N 3.45Å
253	V	95.7	Very high	96.4	Very high	51 Å²	51	31 Å²	31	31%	0.309	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	127	-179.5	-178.3	0	0	0	0	110.4	R249 Y250 R251 C255 N298	R249-V253 CarbonylContact C-O 3.52Å; R249-V253 VanDerWaalsContact CA-O 3.25Å; R249-V253 WeakPolarHBondContact CA-O 3.25Å; Y250-V253 PolarHBondContact N-O 3.01Å; Y250-V253 PolarHBondContact O-N 3.42Å; R251-V253 VanDerWaalsContact C-N 3.28Å; R251-V253 PolarHBondContact O-N 3.47Å; V253-C255 PolarHBondContact O-N 3.1Å; V253-C255 PolarHBondContact O-SG 2.97Å; V253-N298 HydrophobicContact CG1-CB 3.92Å; V253-N298 VanDerWaalsContact CG1-ND2 3.29Å; V253-N298 WeakPolarHBondContact CG1-ND2 3.38Å
254	L	96.6	Very high	96.2	Very high	24 Å²	24	34.7 Å²	34.7	13%	0.126	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	122.8	177.8	-173.2	66.9	0	0	0	110.5	R227 V247 R249 Y294 V296	R227-L254 HydrophobicContact CG-CD1 4.22Å; V247-L254 HydrophobicContact CG1-CD1 4.08Å; R249-L254 HydrophobicContact CG-CB 4.46Å; R249-L254 HydrophobicContact CG-CD1 4.32Å; L254-Y294 HydrophobicContact CD2-CD2 4.16Å; L254-V296 HydrophobicContact CD2-CG2 3.96Å; L254-V296 HydrophobicContact CG-CG2 4.12Å
255	C	97.9	Very high	96	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	149.5	-174.7	-64.6	0	0	0	0	112	V247 A248 V253 I257 N298 L300	V247-C255 WeakPolarHBondContact CA-O 3.48Å; A248-C255 PolarHBondContact N-O 3.19Å; A248-C255 PolarHBondContact O-N 3.49Å; V253-C255 PolarHBondContact O-N 3.1Å; V253-C255 PolarHBondContact O-SG 2.97Å; C255-I257 HydrophobicContact CB-CG1 4.27Å; C255-N298 VanDerWaalsContact CA-O 3.32Å; C255-N298 WeakPolarHBondContact CA-O 3.22Å; C255-L300 HydrophobicContact CB-CB 4.19Å
256	I	98.1	Very high	96	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	121.2	154.7	-59.4	-56.7	0	0	0	106.4	V247 V279 A283 L286 V296 N298 G299 L300	V247-I256 HydrophobicContact CB-CD1 4.47Å; V247-I256 HydrophobicContact CG1-CD1 4.24Å; V247-I256 HydrophobicContact CG2-CD1 3.54Å; I256-V279 HydrophobicContact CB-CG1 4.03Å; I256-V279 HydrophobicContact CG2-CG1 4.11Å; I256-A283 HydrophobicContact CG1-CB 3.75Å; I256-L286 HydrophobicContact CD1-CD1 3.91Å; I256-V296 HydrophobicContact CD1-CB 4.14Å; I256-V296 HydrophobicContact CD1-CG1 4.13Å; I256-V296 HydrophobicContact CD1-CG2 4.05Å; I256-V296 HydrophobicContact CG1-CB 4.23Å; I256-V296 HydrophobicContact CG1-CG1 3.85Å; I256-N298 PolarHBondContact N-O 3.02Å; I256-N298 VanDerWaalsContact N-O 3.07Å; I256-G299 CarbonylContact O-C 3.42Å; I256-G299 WeakPolarHBondContact O-CA 3.48Å; I256-L300 PolarHBondContact O-N 3.18Å
257	I	98.4	Very high	95.9	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	125	179.4	-49.1	-178.3	0	0	0	108.8	V223 C246 A248 C255 W259 L300 V302	V223-I257 HydrophobicContact CG1-CD1 4.38Å; V223-I257 HydrophobicContact CG2-CD1 4.15Å; C246-I257 HydrophobicContact CB-CB 4.17Å; C246-I257 PolarHBondContact N-O 2.84Å; C246-I257 PolarHBondContact O-N 3.04Å; A248-I257 HydrophobicContact CB-CD1 3.91Å; C255-I257 HydrophobicContact CB-CG1 4.27Å; I257-W259 HydrophobicContact CD1-CZ2 4.49Å; I257-W259 HydrophobicContact CG2-CD2 4.03Å; I257-W259 HydrophobicContact CG2-CH2 4.23Å; I257-W259 HydrophobicContact CG2-CZ2 3.65Å; I257-L300 CarbonylContact C-O 3.54Å; I257-L300 WeakPolarHBondContact CA-O 3.34Å; I257-L300 HydrophobicContact CD1-CD2 4.14Å; I257-L300 HydrophobicContact CG1-CB 4.15Å; I257-L300 HydrophobicContact CG1-CD2 4.14Å; I257-L300 HydrophobicContact CG2-CB 4.35Å; I257-L300 HydrophobicContact CG2-CD2 4.02Å; I257-L300 HydrophobicContact CG2-CG 4.35Å; I257-V302 HydrophobicContact CG2-CG2 4.15Å
258	D	98.4	Very high	95.8	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	113.5	176.3	-177.1	64.8	0	0	0	108.7	D245 K260 V279 L300 I301 V302	D245-D258 WeakPolarHBondContact OD2-CA 3.43Å; D258-K260 IonicContact OD1-NZ 3Å; D258-K260 PolarHBondContact OD1-NZ 3.38Å; D258-K260 WeakPolarHBondContact OD2-CE 3.46Å; D258-K260 IonicContact OD2-NZ 2.88Å; D258-K260 PolarHBondContact OD2-NZ 3.02Å; D258-V279 HydrophobicContact CB-CG2 3.52Å; D258-L300 PolarHBondContact N-O 3.39Å; D258-I301 WeakPolarHBondContact O-CA 3.35Å; D258-V302 PolarHBondContact O-N 2.93Å
259	W	98.1	Very high	95.7	Very high	3 Å²	3	51.2 Å²	51.2	1%	0.011	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	137.5	-177.8	-53.4	95.4	0	0	0	109.2	F180 H181 L184 L188 I216 V219 L220 V223 D245 I257 V302	F180-W259 HydrophobicContact CE1-CB 3.78Å; F180-W259 HydrophobicContact CZ-CB 4.31Å; H181-W259 PolarHBondContact NE2-O 2.9Å; L184-W259 HydrophobicContact CD1-CB 3.8Å; L184-W259 HydrophobicContact CD1-CD2 3.64Å; L184-W259 HydrophobicContact CD1-CE3 4.03Å; L184-W259 HydrophobicContact CD1-CG 3.53Å; L184-W259 HydrophobicContact CD2-CD2 4.23Å; L184-W259 HydrophobicContact CD2-CE3 4.39Å; L184-W259 HydrophobicContact CD2-CH2 4.39Å; L184-W259 HydrophobicContact CD2-CZ2 4.19Å; L184-W259 HydrophobicContact CD2-CZ3 4.47Å; L188-W259 HydrophobicContact CD1-CZ2 4.31Å; I216-W259 HydrophobicContact CB-CZ3 4.28Å; I216-W259 HydrophobicContact CD1-CE3 4.16Å; I216-W259 HydrophobicContact CD1-CZ3 3.93Å; I216-W259 HydrophobicContact CG2-CE3 4.43Å; I216-W259 HydrophobicContact CG2-CZ3 4.33Å; V219-W259 HydrophobicContact CG1-CH2 4.5Å; V219-W259 HydrophobicContact CG1-CZ3 4.41Å; L220-W259 HydrophobicContact CD2-CH2 3.71Å; L220-W259 HydrophobicContact CD2-CZ2 4.24Å; L220-W259 HydrophobicContact CD2-CZ3 4.4Å; V223-W259 HydrophobicContact CG2-CH2 4.39Å; D245-W259 PolarHBondContact OD2-N 3.17Å; I257-W259 HydrophobicContact CD1-CZ2 4.49Å; I257-W259 HydrophobicContact CG2-CD2 4.03Å; I257-W259 HydrophobicContact CG2-CH2 4.23Å; I257-W259 HydrophobicContact CG2-CZ2 3.65Å; W259-V302 HydrophobicContact CD2-CB 4.47Å; W259-V302 HydrophobicContact CE3-CB 3.59Å; W259-V302 HydrophobicContact CE3-CG1 3.85Å; W259-V302 HydrophobicContact CE3-CG2 3.95Å; W259-V302 HydrophobicContact CH2-CG2 4.39Å; W259-V302 HydrophobicContact CZ3-CB 3.8Å; W259-V302 HydrophobicContact CZ3-CG1 3.78Å; W259-V302 HydrophobicContact CZ3-CG2 3.78Å
260	K	97.3	Very high	95.5	Very high	46 Å²	46	52 Å²	52	20%	0.2	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	134.2	-176.5	-68.6	-70.6	164.4	-81.7	0	110.8	D258 N275 I301 V302 V303 A304	D258-K260 IonicContact OD1-NZ 3Å; D258-K260 PolarHBondContact OD1-NZ 3.38Å; D258-K260 WeakPolarHBondContact OD2-CE 3.46Å; D258-K260 IonicContact OD2-NZ 2.88Å; D258-K260 PolarHBondContact OD2-NZ 3.02Å; K260-N275 WeakPolarHBondContact CE-ND2 3.47Å; K260-I301 HydrophobicContact CG-CG2 4.43Å; K260-V302 PolarHBondContact N-O 2.84Å; K260-V303 CarbonylContact O-C 3.47Å; K260-V303 WeakPolarHBondContact O-CA 3.25Å; K260-A304 PolarHBondContact O-N 3.17Å
261	T	96.8	Very high	95.3	Very high	38 Å²	38	54.1 Å²	54.1	23%	0.233	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	144.6	168.3	55.9	0	0	0	0	110.2	F180 Y212	F180-T261 HydrophobicContact CB-CG2 4Å; F180-T261 HydrophobicContact CD1-CG2 3.47Å; F180-T261 VanDerWaalsContact CD1-CG2 3.47Å; F180-T261 HydrophobicContact CE1-CG2 4.03Å; F180-T261 HydrophobicContact CG-CG2 3.82Å; Y212-T261 HydrophobicContact CD1-CG2 3.85Å; Y212-T261 HydrophobicContact CD2-CG2 4.2Å; Y212-T261 HydrophobicContact CE1-CG2 3.84Å; Y212-T261 HydrophobicContact CE2-CG2 4.2Å; Y212-T261 HydrophobicContact CG-CG2 4.03Å
262	S	94.8	Very high	95	Very high	21 Å²	21	46.6 Å²	46.6	15%	0.147	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	147.4	171.3	-150.6	0	0	0	0	112.4	K264 A304	S262-K264 WeakPolarHBondContact CB-O 3.03Å; S262-K264 PolarHBondContact OG-O 3.27Å; S262-A304 PolarHBondContact N-O 2.91Å
263	E	90.9	Very high	95	Very high	101 Å²	101	52.7 Å²	52.7	47%	0.472	27%	0.27	S	S	.	.	S	Bend	trans	-88.1	-19.3	168.5	-62.2	-173.3	163.1	0	0	112.1
264	K	91.4	Very high	95	Very high	142 Å²	142	51.7 Å²	51.7	62%	0.617	26%	0.263	S	S	*	.	S	Bend	trans	-111.7	139.2	-178.5	-66.7	-176.4	-179	179.2	0	110.2	S262 K266 Y305	S262-K264 WeakPolarHBondContact CB-O 3.03Å; S262-K264 PolarHBondContact OG-O 3.27Å; K264-K266 PolarHBondContact O-N 2.93Å; K264-Y305 WeakPolarHBondContact O-CE1 3.1Å
265	P	93.8	Very high	95	Very high	98 Å²	98	51.7 Å²	51.7	64%	0.636	26%	0.263	S	S	*	.			trans	-61.3	137.8	177.2	26	-33.9	0	0	0	111	P267	P265-P267 VanDerWaalsContact C-CD 3.45Å; P265-P267 WeakPolarHBondContact O-CD 3.4Å
266	K	95.3	Very high	95.1	Very high	37 Å²	37	51.8 Å²	51.8	16%	0.161	26%	0.264	C	S	.	.			trans	-123.3	73	176.7	-64.3	-169.8	174.3	-148.3	0	110.1	K264 F268 N271 T272 V303 Y305 H314	K264-K266 PolarHBondContact O-N 2.93Å; K266-F268 VanDerWaalsContact C-N 3.28Å; K266-F268 PolarHBondContact O-N 3.05Å; K266-N271 HydrophobicContact CB-CB 3.9Å; K266-N271 WeakPolarHBondContact CD-O 3.34Å; K266-N271 WeakPolarHBondContact CE-O 3.38Å; K266-N271 HydrophobicContact CG-CB 4.1Å; K266-N271 PolarHBondContact NZ-O 3.49Å; K266-T272 HydrophobicContact CD-CG2 4.39Å; K266-V303 HydrophobicContact CB-CB 4.46Å; K266-V303 HydrophobicContact CB-CG1 4.16Å; K266-V303 HydrophobicContact CB-CG2 4.17Å; K266-V303 HydrophobicContact CD-CG1 4.03Å; K266-V303 HydrophobicContact CD-CG2 4.15Å; K266-V303 HydrophobicContact CG-CG1 4.22Å; K266-Y305 PolarHBondContact N-OH 3.44Å; K266-H314 PolarHBondContact O-CE1 3.39Å; K266-H314 VanDerWaalsContact O-CE1 3.22Å; K266-H314 PolarHBondContact O-NE2 2.99Å
267	P	94.8	Very high	95.1	Very high	57 Å²	57	52.2 Å²	52.2	37%	0.37	27%	0.267	S	S	.	.			trans	-71.4	-19.6	-172.9	27.7	-34.9	0	0	0	114.6	P265 N271 H312 H314	P265-P267 VanDerWaalsContact C-CD 3.45Å; P265-P267 WeakPolarHBondContact O-CD 3.4Å; P267-N271 WeakPolarHBondContact CD-OD1 3.4Å; P267-H312 VanDerWaalsContact CA-CD2 3.43Å; P267-H312 WeakPolarHBondContact CA-CD2 3.39Å; P267-H314 PolarHBondContact O-CE1 3.28Å
268	F	95.8	Very high	95.1	Very high	136 Å²	136	53.2 Å²	53.2	60%	0.596	27%	0.271	S	S	*	.	S	Bend	trans	-119.3	149.3	179.5	-51.1	-72.6	0	0	0	111.5	K266 S270 N271	K266-F268 VanDerWaalsContact C-N 3.28Å; K266-F268 PolarHBondContact O-N 3.05Å; F268-S270 PolarHBondContact O-N 3.47Å; F268-S270 VanDerWaalsContact O-N 3.16Å; F268-N271 WeakPolarHBondContact CB-OD1 3.46Å; F268-N271 WeakPolarHBondContact CD2-OD1 3.47Å; F268-N271 PolarHBondContact N-OD1 3.36Å; F268-N271 VanDerWaalsContact O-CB 3.29Å; F268-N271 WeakPolarHBondContact O-CB 3.48Å; F268-N271 PolarHBondContact O-N 3.07Å; F268-N271 PolarHBondContact O-OD1 2.64Å
269	L	92.7	Very high	95.1	Very high	36 Å²	36	53.2 Å²	53.2	19%	0.188	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-53.3	-36.8	175.4	-177.2	65.8	0	0	0	112.2	N271 T272 P276 I301 H314 I316 L320 Y324	L269-N271 PolarHBondContact O-N 2.93Å; L269-T272 WeakPolarHBondContact O-CB 3.21Å; L269-T272 PolarHBondContact O-N 3.39Å; L269-T272 PolarHBondContact O-OG1 3.26Å; L269-P276 HydrophobicContact CD1-CB 4.46Å; L269-P276 HydrophobicContact CD1-CG 3.69Å; L269-P276 HydrophobicContact CG-CG 4.04Å; L269-I301 HydrophobicContact CD1-CD1 3.87Å; L269-H314 HydrophobicContact CD1-CB 3.77Å; L269-H314 PolarHBondContact N-ND1 2.81Å; L269-I316 HydrophobicContact CD1-CD1 4.17Å; L269-I316 HydrophobicContact CD1-CG1 4.17Å; L269-I316 HydrophobicContact CD2-CG1 4.4Å; L269-L320 HydrophobicContact CD2-CD2 3.74Å; L269-Y324 HydrophobicContact CD2-CE2 4.08Å; L269-Y324 WeakPolarHBondContact CD2-OH 3.47Å
270	S	92.1	Very high	95.1	Very high	92 Å²	92	53 Å²	53	64%	0.643	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-63	-20.9	176.9	57.1	0	0	0	0	114	F268 T272	F268-S270 PolarHBondContact O-N 3.47Å; F268-S270 VanDerWaalsContact O-N 3.16Å; S270-T272 PolarHBondContact O-N 2.92Å
271	N	92.3	Very high	95.1	Very high	53 Å²	53	50.9 Å²	50.9	28%	0.283	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-76.6	-6	174.2	-53.2	133.3	0	0	0	113	K266 P267 F268 L269 Y273	K266-N271 HydrophobicContact CB-CB 3.9Å; K266-N271 WeakPolarHBondContact CD-O 3.34Å; K266-N271 WeakPolarHBondContact CE-O 3.38Å; K266-N271 HydrophobicContact CG-CB 4.1Å; K266-N271 PolarHBondContact NZ-O 3.49Å; P267-N271 WeakPolarHBondContact CD-OD1 3.4Å; F268-N271 WeakPolarHBondContact CB-OD1 3.46Å; F268-N271 WeakPolarHBondContact CD2-OD1 3.47Å; F268-N271 PolarHBondContact N-OD1 3.36Å; F268-N271 VanDerWaalsContact O-CB 3.29Å; F268-N271 WeakPolarHBondContact O-CB 3.48Å; F268-N271 PolarHBondContact O-N 3.07Å; F268-N271 PolarHBondContact O-OD1 2.64Å; L269-N271 PolarHBondContact O-N 2.93Å; N271-Y273 WeakPolarHBondContact O-CD2 3.42Å; N271-Y273 WeakPolarHBondContact O-CE2 3.43Å
272	T	90.7	Very high	95.2	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.006	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-95.3	0.5	-179.8	74.5	0	0	0	0	113.2	K266 L269 S270 D274 N275 P276 I301 V303	K266-T272 HydrophobicContact CD-CG2 4.39Å; L269-T272 WeakPolarHBondContact O-CB 3.21Å; L269-T272 PolarHBondContact O-N 3.39Å; L269-T272 PolarHBondContact O-OG1 3.26Å; S270-T272 PolarHBondContact O-N 2.92Å; T272-D274 PolarHBondContact O-N 3.47Å; T272-N275 WeakPolarHBondContact O-CB 3.47Å; T272-N275 PolarHBondContact O-N 3.38Å; T272-N275 VanDerWaalsContact O-N 3.09Å; T272-N275 PolarHBondContact O-OD1 3.14Å; T272-P276 WeakPolarHBondContact OG1-CD 3.5Å; T272-I301 HydrophobicContact CG2-CG2 4.23Å; T272-V303 HydrophobicContact CG2-CG2 4.19Å
273	Y	93.1	Very high	95.3	Very high	168 Å²	168	48.6 Å²	48.6	66%	0.659	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	-118.3	174.1	-51.9	-79.3	0	0	0	112.6	N271 N275 P276	N271-Y273 WeakPolarHBondContact O-CD2 3.42Å; N271-Y273 WeakPolarHBondContact O-CE2 3.43Å; Y273-N275 VanDerWaalsContact C-N 3.29Å; Y273-N275 PolarHBondContact O-N 3.17Å; Y273-P276 WeakPolarHBondContact O-CD 3.39Å
274	D	95.9	Very high	95.6	Very high	31 Å²	31	44 Å²	44	17%	0.166	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-2.3	-176.5	-67	-4.7	0	0	0	113.1	L138 L142 Q146 T272 P276 V277 Q278 R331	L138-D274 HydrophobicContact CD1-CB 4.34Å; L142-D274 WeakPolarHBondContact CD2-OD2 3.26Å; Q146-D274 PolarHBondContact NE2-OD1 3.23Å; T272-D274 PolarHBondContact O-N 3.47Å; D274-P276 VanDerWaalsContact C-CD 3.45Å; D274-V277 WeakPolarHBondContact O-CB 3.39Å; D274-V277 PolarHBondContact O-N 3.21Å; D274-V277 VanDerWaalsContact O-N 3.1Å; D274-Q278 PolarHBondContact O-N 3.32Å; D274-R331 IonicContact OD2-NH2 3.99Å
275	N	97.4	Very high	95.9	Very high	24 Å²	24	37.2 Å²	37.2	13%	0.128	20%	0.195	C	C	.	.	H	α-helix	trans	-56.5	-40.9	-179.7	-63.5	142.4	0	0	0	113.6	K260 T272 Y273 V277 Q278 V279 I301	K260-N275 WeakPolarHBondContact CE-ND2 3.47Å; T272-N275 WeakPolarHBondContact O-CB 3.47Å; T272-N275 PolarHBondContact O-N 3.38Å; T272-N275 VanDerWaalsContact O-N 3.09Å; T272-N275 PolarHBondContact O-OD1 3.14Å; Y273-N275 VanDerWaalsContact C-N 3.29Å; Y273-N275 PolarHBondContact O-N 3.17Å; N275-V277 VanDerWaalsContact C-N 3.3Å; N275-V277 PolarHBondContact O-N 3.08Å; N275-Q278 WeakPolarHBondContact O-CB 3.39Å; N275-Q278 PolarHBondContact O-N 3.47Å; N275-V279 WeakPolarHBondContact O-CG2 3.19Å; N275-V279 PolarHBondContact O-N 3.11Å; N275-I301 HydrophobicContact CB-CD1 3.67Å; N275-I301 HydrophobicContact CB-CG1 4.32Å; N275-I301 HydrophobicContact CB-CG2 4.37Å
276	P	98.2	Very high	96	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.013	16%	0.164	C	C	.	.	H	α-helix	trans	-64.5	-35.9	177	-20.5	34.7	0	0	0	112.6	L269 T272 Y273 D274 V279 A280 I301 I316 Y324	L269-P276 HydrophobicContact CD1-CB 4.46Å; L269-P276 HydrophobicContact CD1-CG 3.69Å; L269-P276 HydrophobicContact CG-CG 4.04Å; T272-P276 WeakPolarHBondContact OG1-CD 3.5Å; Y273-P276 WeakPolarHBondContact O-CD 3.39Å; D274-P276 VanDerWaalsContact C-CD 3.45Å; P276-V279 PolarHBondContact O-N 2.92Å; P276-A280 WeakPolarHBondContact O-CB 3.34Å; P276-A280 PolarHBondContact O-N 3.41Å; P276-I301 HydrophobicContact CB-CD1 4.26Å; P276-I301 HydrophobicContact CG-CD1 3.8Å; P276-I316 HydrophobicContact CB-CD1 3.91Å; P276-Y324 HydrophobicContact CB-CD1 3.9Å; P276-Y324 HydrophobicContact CB-CD2 3.44Å; P276-Y324 VanDerWaalsContact CB-CD2 3.44Å; P276-Y324 HydrophobicContact CB-CE1 3.77Å; P276-Y324 HydrophobicContact CB-CE2 3.26Å; P276-Y324 HydrophobicContact CB-CG 3.76Å; P276-Y324 VanDerWaalsContact CB-CZ 3.46Å; P276-Y324 HydrophobicContact CG-CE1 4.38Å; P276-Y324 HydrophobicContact CG-CE2 4.14Å
277	V	98.2	Very high	96.1	Very high	10 Å²	10	30.9 Å²	30.9	6%	0.061	16%	0.157	C	C	.	.	H	α-helix	trans	-67.9	-39.2	175.5	-173.8	0	0	0	0	110.6	L138 D274 N275 A280 A281 Y324 T327 W328	L138-V277 HydrophobicContact CD2-CB 4.37Å; L138-V277 HydrophobicContact CD2-CG1 3.84Å; D274-V277 WeakPolarHBondContact O-CB 3.39Å; D274-V277 PolarHBondContact O-N 3.21Å; D274-V277 VanDerWaalsContact O-N 3.1Å; N275-V277 VanDerWaalsContact C-N 3.3Å; N275-V277 PolarHBondContact O-N 3.08Å; V277-A280 PolarHBondContact O-N 2.73Å; V277-A281 WeakPolarHBondContact O-CB 3.48Å; V277-A281 PolarHBondContact O-N 2.98Å; V277-Y324 HydrophobicContact CG2-CD1 4.07Å; V277-T327 HydrophobicContact CG1-CG2 4.5Å; V277-T327 HydrophobicContact CG2-CG2 3.87Å; V277-W328 HydrophobicContact CG1-CB 3.69Å; V277-W328 HydrophobicContact CG1-CE3 4.21Å
278	Q	98.4	Very high	96	Very high	21 Å²	21	30.1 Å²	30.1	10%	0.098	15%	0.153	C	C	.	.	H	α-helix	trans	-61.5	-47	174.5	-176.6	178.1	-6.2	0	0	111.7	V134 L138 D274 N275 A281 Y282	V134-Q278 HydrophobicContact CG1-CB 4.4Å; V134-Q278 HydrophobicContact CG1-CG 3.93Å; L138-Q278 HydrophobicContact CD1-CB 3.73Å; L138-Q278 HydrophobicContact CD1-CG 4.3Å; D274-Q278 PolarHBondContact O-N 3.32Å; N275-Q278 WeakPolarHBondContact O-CB 3.39Å; N275-Q278 PolarHBondContact O-N 3.47Å; Q278-A281 WeakPolarHBondContact O-CB 3.45Å; Q278-A281 PolarHBondContact O-N 3.46Å; Q278-Y282 HydrophobicContact CG-CD2 4.17Å; Q278-Y282 HydrophobicContact CG-CE1 4.44Å; Q278-Y282 HydrophobicContact CG-CE2 3.61Å; Q278-Y282 PolarHBondContact NE2-OH 3.07Å; Q278-Y282 PolarHBondContact O-N 2.9Å
279	V	98.4	Very high	95.9	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.9	-43.8	177.4	174	0	0	0	0	111.2	I256 D258 N275 P276 A281 Y282 A283 I301 M321	I256-V279 HydrophobicContact CB-CG1 4.03Å; I256-V279 HydrophobicContact CG2-CG1 4.11Å; D258-V279 HydrophobicContact CB-CG2 3.52Å; N275-V279 WeakPolarHBondContact O-CG2 3.19Å; N275-V279 PolarHBondContact O-N 3.11Å; P276-V279 PolarHBondContact O-N 2.92Å; V279-A281 PolarHBondContact O-N 3.48Å; V279-Y282 PolarHBondContact O-N 3.3Å; V279-A283 PolarHBondContact O-N 3.05Å; V279-I301 HydrophobicContact CG2-CD1 4.38Å; V279-I301 HydrophobicContact CG2-CG1 3.83Å; V279-M321 HydrophobicContact CG1-CE 3.99Å; V279-M321 HydrophobicContact CG1-SD 3.99Å
280	A	98.3	Very high	95.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62.6	-40.6	174.9	0	0	0	0	0	112.7	P276 V277 Y282 A283 G284 M321 W325	P276-A280 WeakPolarHBondContact O-CB 3.34Å; P276-A280 PolarHBondContact O-N 3.41Å; V277-A280 PolarHBondContact O-N 2.73Å; A280-Y282 VanDerWaalsContact C-N 3.33Å; A280-Y282 PolarHBondContact O-N 3.01Å; A280-A283 PolarHBondContact O-N 3.01Å; A280-G284 PolarHBondContact O-N 3.01Å; A280-M321 HydrophobicContact CB-CE 4.23Å; A280-M321 HydrophobicContact CB-SD 4.46Å; A280-W325 HydrophobicContact CB-CB 4.43Å
281	A	98.4	Very high	95.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.9	-41.1	176.4	0	0	0	0	0	112.1	V134 Y240 V277 Q278 V279 A285 W328	V134-A281 HydrophobicContact CB-CB 4.49Å; V134-A281 HydrophobicContact CG1-CB 3.71Å; V134-A281 HydrophobicContact CG2-CB 3.89Å; Y240-A281 HydrophobicContact CE2-CB 4.4Å; Y240-A281 WeakPolarHBondContact CE2-O 3.34Å; Y240-A281 PolarHBondContact OH-O 2.99Å; V277-A281 WeakPolarHBondContact O-CB 3.48Å; V277-A281 PolarHBondContact O-N 2.98Å; Q278-A281 WeakPolarHBondContact O-CB 3.45Å; Q278-A281 PolarHBondContact O-N 3.46Å; V279-A281 PolarHBondContact O-N 3.48Å; A281-A285 WeakPolarHBondContact O-CB 3.5Å; A281-A285 PolarHBondContact O-N 3.18Å; A281-W328 HydrophobicContact CB-CD2 3.39Å; A281-W328 HydrophobicContact CB-CE3 3.73Å; A281-W328 HydrophobicContact CB-CG 3.75Å; A281-W328 HydrophobicContact CB-CH2 4.22Å; A281-W328 HydrophobicContact CB-CZ2 3.94Å; A281-W328 HydrophobicContact CB-CZ3 4.13Å
282	Y	98.4	Very high	95.7	Very high	12 Å²	12	24.4 Å²	24.4	5%	0.047	14%	0.137	C	C	.	.	H	α-helix	trans	-66	-46.2	175.4	-70.6	-21.3	0	0	0	112.6	V134 V233 I243 V244 Q278 V279 A280 A285 L286	V134-Y282 HydrophobicContact CB-CD1 4.24Å; V134-Y282 HydrophobicContact CB-CE1 3.64Å; V134-Y282 HydrophobicContact CG1-CD1 4.42Å; V134-Y282 HydrophobicContact CG1-CE1 3.98Å; V134-Y282 HydrophobicContact CG2-CD1 3.75Å; V134-Y282 HydrophobicContact CG2-CE1 3.6Å; V233-Y282 HydrophobicContact CG2-CD1 4.29Å; I243-Y282 WeakPolarHBondContact O-CE2 3.33Å; I243-Y282 PolarHBondContact O-OH 2.89Å; V244-Y282 HydrophobicContact CG1-CD1 4.37Å; V244-Y282 HydrophobicContact CG1-CD2 4.21Å; V244-Y282 HydrophobicContact CG1-CG 3.87Å; Q278-Y282 HydrophobicContact CG-CD2 4.17Å; Q278-Y282 HydrophobicContact CG-CE1 4.44Å; Q278-Y282 HydrophobicContact CG-CE2 3.61Å; Q278-Y282 PolarHBondContact NE2-OH 3.07Å; Q278-Y282 PolarHBondContact O-N 2.9Å; V279-Y282 PolarHBondContact O-N 3.3Å; A280-Y282 VanDerWaalsContact C-N 3.33Å; A280-Y282 PolarHBondContact O-N 3.01Å; Y282-A285 PolarHBondContact O-N 3.02Å; Y282-L286 WeakPolarHBondContact O-CB 3.44Å; Y282-L286 PolarHBondContact O-N 3.23Å
283	A	97.8	Very high	95.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-59.7	-47.9	175.7	0	0	0	0	0	111.5	F100 I256 V279 A280 A285 L286 N287 M321	F100-A283 HydrophobicContact CE2-CB 3.67Å; F100-A283 HydrophobicContact CZ-CB 3.64Å; I256-A283 HydrophobicContact CG1-CB 3.75Å; V279-A283 PolarHBondContact O-N 3.05Å; A280-A283 PolarHBondContact O-N 3.01Å; A283-A285 VanDerWaalsContact C-N 3.31Å; A283-A285 PolarHBondContact O-N 3.02Å; A283-L286 PolarHBondContact O-N 3.34Å; A283-N287 WeakPolarHBondContact O-CB 3.4Å; A283-N287 PolarHBondContact O-N 3.45Å; A283-N287 PolarHBondContact O-ND2 3.45Å; A283-N287 PolarHBondContact O-OD1 3.13Å; A283-M321 HydrophobicContact CB-CE 3.59Å
284	G	97.1	Very high	95.7	Very high	3 Å²	3	22.1 Å²	22.1	3%	0.031	13%	0.13	C	C	.	.	H	α-helix	trans	-62.6	-36.3	177.7	0	0	0	0	0	113.2	H235 A280 S288	H235-G284 PolarHBondContact CD2-O 3.24Å; A280-G284 PolarHBondContact O-N 3.01Å; G284-S288 PolarHBondContact O-N 3.35Å
285	A	96.9	Very high	95.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-65.6	-49.3	173.5	0	0	0	0	0	111.6	V233 H235 Y240 A281 Y282 A283 N287 S288 D289	V233-A285 HydrophobicContact CB-CB 3.96Å; V233-A285 HydrophobicContact CG2-CB 3.8Å; H235-A285 HydrophobicContact CB-CB 4.11Å; Y240-A285 HydrophobicContact CE2-CB 3.71Å; Y240-A285 PolarHBondContact OH-N 3.15Å; A281-A285 WeakPolarHBondContact O-CB 3.5Å; A281-A285 PolarHBondContact O-N 3.18Å; Y282-A285 PolarHBondContact O-N 3.02Å; A283-A285 VanDerWaalsContact C-N 3.31Å; A283-A285 PolarHBondContact O-N 3.02Å; A285-N287 VanDerWaalsContact C-N 3.34Å; A285-N287 PolarHBondContact O-N 3Å; A285-S288 PolarHBondContact O-N 3.01Å; A285-D289 VanDerWaalsContact O-CB 3.27Å; A285-D289 WeakPolarHBondContact O-CB 3.46Å; A285-D289 PolarHBondContact O-N 3.48Å
286	L	96.6	Very high	95.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-57.8	-46.7	178.4	-174.5	148.7	0	0	0	111.4	V233 V247 I256 Y282 A283 S288 D289 Y292 Y294 V296	V233-L286 HydrophobicContact CG1-CB 3.94Å; V233-L286 HydrophobicContact CG1-CD1 4.26Å; V233-L286 HydrophobicContact CG1-CG 4.38Å; V247-L286 HydrophobicContact CG2-CD1 3.85Å; I256-L286 HydrophobicContact CD1-CD1 3.91Å; Y282-L286 WeakPolarHBondContact O-CB 3.44Å; Y282-L286 PolarHBondContact O-N 3.23Å; A283-L286 PolarHBondContact O-N 3.34Å; L286-S288 PolarHBondContact O-N 3.5Å; L286-D289 PolarHBondContact O-N 2.87Å; L286-Y292 HydrophobicContact CD1-CD1 3.92Å; L286-Y292 HydrophobicContact CD1-CE1 4.03Å; L286-Y292 HydrophobicContact CD1-CG 4.22Å; L286-Y292 HydrophobicContact CD2-CG 4.36Å; L286-Y292 HydrophobicContact CG-CD1 4.04Å; L286-Y292 HydrophobicContact CG-CD2 4.1Å; L286-Y292 HydrophobicContact CG-CE1 4.47Å; L286-Y292 HydrophobicContact CG-CG 3.82Å; L286-Y294 HydrophobicContact CD1-CE2 4.18Å; L286-Y294 HydrophobicContact CD2-CD2 4.13Å; L286-Y294 HydrophobicContact CD2-CE2 3.92Å; L286-V296 HydrophobicContact CD2-CG2 4.05Å
287	N	95.9	Very high	95.4	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.011	14%	0.14	C	C	.	.	H	α-helix	trans	-62.7	-30.4	-178	-67	-15.6	0	0	0	112.7	F100 I101 R105 A283 A285 Q295 V296	F100-N287 PolarHBondContact O-ND2 3.48Å; F100-N287 VanDerWaalsContact O-ND2 3.07Å; I101-N287 WeakPolarHBondContact CD1-ND2 3.4Å; R105-N287 PolarHBondContact NH1-O 3.45Å; A283-N287 WeakPolarHBondContact O-CB 3.4Å; A283-N287 PolarHBondContact O-N 3.45Å; A283-N287 PolarHBondContact O-ND2 3.45Å; A283-N287 PolarHBondContact O-OD1 3.13Å; A285-N287 VanDerWaalsContact C-N 3.34Å; A285-N287 PolarHBondContact O-N 3Å; N287-Q295 HydrophobicContact CB-CG 4.24Å; N287-Q295 VanDerWaalsContact OD1-CA 3.25Å; N287-Q295 WeakPolarHBondContact OD1-CA 3.06Å; N287-V296 PolarHBondContact ND2-O 2.96Å; N287-V296 PolarHBondContact OD1-N 3.13Å
288	S	93.8	Very high	95.4	Very high	41 Å²	41	25.7 Å²	25.7	29%	0.287	15%	0.145	S	C	.	.	H	α-helix	trans	-90.2	-9.1	176.1	-177.9	0	0	0	0	113.9	H235 G284 A285 L286	H235-S288 PolarHBondContact CE1-OG 2.72Å; H235-S288 VanDerWaalsContact CE1-OG 3.27Å; H235-S288 PolarHBondContact ND1-OG 3.04Å; G284-S288 PolarHBondContact O-N 3.35Å; A285-S288 PolarHBondContact O-N 3.01Å; L286-S288 PolarHBondContact O-N 3.5Å
289	D	93.1	Very high	95.4	Very high	13 Å²	13	24.7 Å²	24.7	7%	0.07	14%	0.141	C	C	.	.			trans	-89.4	120.1	-172.6	-171.3	-27	0	0	0	110.7	R105 Q234 A285 L286 N291 Y292	R105-D289 VanDerWaalsContact CZ-O 3.24Å; R105-D289 PolarHBondContact NH1-O 3.26Å; R105-D289 PolarHBondContact NH2-O 3.23Å; Q234-D289 PolarHBondContact N-OD2 3.14Å; Q234-D289 WeakPolarHBondContact O-CB 3.35Å; A285-D289 VanDerWaalsContact O-CB 3.27Å; A285-D289 WeakPolarHBondContact O-CB 3.46Å; A285-D289 PolarHBondContact O-N 3.48Å; L286-D289 PolarHBondContact O-N 2.87Å; D289-N291 PolarHBondContact O-N 3Å; D289-N291 WeakPolarHBondContact OD1-CB 3.26Å; D289-N291 PolarHBondContact OD1-N 3Å; D289-N291 PolarHBondContact OD1-ND2 3.05Å; D289-Y292 HydrophobicContact CB-CD2 3.88Å; D289-Y292 HydrophobicContact CB-CE2 4.34Å; D289-Y292 PolarHBondContact O-N 2.87Å; D289-Y292 VanDerWaalsContact O-N 3.16Å
290	G	90.6	Very high	95.4	Very high	65 Å²	65	24.7 Å²	24.7	67%	0.67	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-23.2	-179.4	0	0	0	0	0	114.7	R105 Y292	R105-G290 VanDerWaalsContact NH2-CA 3.25Å; R105-G290 PolarHBondContact NH2-O 3.17Å; G290-Y292 VanDerWaalsContact C-N 3.31Å; G290-Y292 PolarHBondContact O-N 3.27Å
291	N	91.7	Very high	95.4	Very high	114 Å²	114	24.7 Å²	24.7	61%	0.61	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-16.9	-178.3	-58.2	-60.2	0	0	0	114	I120 D289	I120-N291 HydrophobicContact CD1-CB 3.42Å; I120-N291 VanDerWaalsContact CD1-CB 3.42Å; D289-N291 PolarHBondContact O-N 3Å; D289-N291 WeakPolarHBondContact OD1-CB 3.26Å; D289-N291 PolarHBondContact OD1-N 3Å; D289-N291 PolarHBondContact OD1-ND2 3.05Å
292	Y	91.8	Very high	95.4	Very high	5 Å²	5	24.7 Å²	24.7	2%	0.02	14%	0.141	C	C	.	.			trans	-110.9	115.5	-178	-62.4	-91.6	0	0	0	111.3	R105 I120 A228 S231 S232 V233 L286 D289 G290 Y294	R105-Y292 PolarHBondContact NH1-O 3.33Å; R105-Y292 VanDerWaalsContact NH1-O 3.14Å; R105-Y292 PolarHBondContact NH2-O 2.93Å; I120-Y292 HydrophobicContact CD1-CD2 4.43Å; I120-Y292 HydrophobicContact CD1-CE1 4.3Å; I120-Y292 HydrophobicContact CD1-CE2 3.74Å; A228-Y292 HydrophobicContact CB-CE1 4.24Å; S231-Y292 WeakPolarHBondContact CB-OH 3.48Å; S231-Y292 PolarHBondContact OG-OH 2.97Å; S232-Y292 PolarHBondContact O-OH 3.32Å; V233-Y292 HydrophobicContact CG1-CE2 3.79Å; L286-Y292 HydrophobicContact CD1-CD1 3.92Å; L286-Y292 HydrophobicContact CD1-CE1 4.03Å; L286-Y292 HydrophobicContact CD1-CG 4.22Å; L286-Y292 HydrophobicContact CD2-CG 4.36Å; L286-Y292 HydrophobicContact CG-CD1 4.04Å; L286-Y292 HydrophobicContact CG-CD2 4.1Å; L286-Y292 HydrophobicContact CG-CE1 4.47Å; L286-Y292 HydrophobicContact CG-CG 3.82Å; D289-Y292 HydrophobicContact CB-CD2 3.88Å; D289-Y292 HydrophobicContact CB-CE2 4.34Å; D289-Y292 PolarHBondContact O-N 2.87Å; D289-Y292 VanDerWaalsContact O-N 3.16Å; G290-Y292 VanDerWaalsContact C-N 3.31Å; G290-Y292 PolarHBondContact O-N 3.27Å; Y292-Y294 HydrophobicContact CD1-CE1 4.32Å; Y292-Y294 HydrophobicContact CD1-CE2 4.46Å; Y292-Y294 AromaticContact CD1-CZ 3.86Å; Y292-Y294 PolarHBondContact O-N 2.69Å
293	K	90.9	Very high	95.4	Very high	102 Å²	102	24.2 Å²	24.2	44%	0.443	14%	0.139	S	C	.	.	S	Bend	trans	-82	6.6	-176.4	-64.2	169.1	157.9	-154.9	0	115.6	E108 E111	E108-K293 IonicContact OE1-NZ 2.7Å; E108-K293 PolarHBondContact OE1-NZ 3.09Å; E108-K293 IonicContact OE2-NZ 2.63Å; E111-K293 WeakPolarHBondContact OE1-CD 3.5Å; E111-K293 IonicContact OE1-NZ 3.68Å; E111-K293 PolarHBondContact OE1-NZ 2.96Å
294	Y	91.7	Very high	95.4	Very high	19 Å²	19	24.2 Å²	24.2	8%	0.075	14%	0.139	C	C	.	.	S	Bend	trans	-127.7	164.8	-179.5	56.1	-96.6	0	0	0	110	R227 V247 L254 L286 Y292 V296	R227-Y294 HydrophobicContact CB-CE1 4.04Å; R227-Y294 HydrophobicContact CB-CE2 4.38Å; R227-Y294 WeakPolarHBondContact CB-OH 3.43Å; V247-Y294 HydrophobicContact CG1-CE2 3.96Å; L254-Y294 HydrophobicContact CD2-CD2 4.16Å; L286-Y294 HydrophobicContact CD1-CE2 4.18Å; L286-Y294 HydrophobicContact CD2-CD2 4.13Å; L286-Y294 HydrophobicContact CD2-CE2 3.92Å; Y292-Y294 HydrophobicContact CD1-CE1 4.32Å; Y292-Y294 HydrophobicContact CD1-CE2 4.46Å; Y292-Y294 AromaticContact CD1-CZ 3.86Å; Y292-Y294 PolarHBondContact O-N 2.69Å; Y294-V296 HydrophobicContact CD2-CG2 4.16Å; Y294-V296 HydrophobicContact CE2-CG2 4.19Å
295	Q	94.3	Very high	95.4	Very high	26 Å²	26	24.5 Å²	24.5	12%	0.121	14%	0.139	C	C	.	.			trans	-121.1	152.9	176.2	-69.7	179	-37.3	0	0	110.6	I101 N102 V107 N287	I101-Q295 HydrophobicContact CD1-CB 4.46Å; N102-Q295 VanDerWaalsContact CB-NE2 3.32Å; N102-Q295 PolarHBondContact O-NE2 3.13Å; N102-Q295 PolarHBondContact O-OE1 3.48Å; V107-Q295 HydrophobicContact CG2-CG 4.4Å; N287-Q295 HydrophobicContact CB-CG 4.24Å; N287-Q295 VanDerWaalsContact OD1-CA 3.25Å; N287-Q295 WeakPolarHBondContact OD1-CA 3.06Å
296	V	95.3	Very high	95.3	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.006	16%	0.16	C	C	.	.			trans	-125.2	126.2	-179.8	-174.8	0	0	0	0	108.9	V247 L254 I256 L286 N287 Y294 N298	V247-V296 HydrophobicContact CG1-CG2 3.82Å; L254-V296 HydrophobicContact CD2-CG2 3.96Å; L254-V296 HydrophobicContact CG-CG2 4.12Å; I256-V296 HydrophobicContact CD1-CB 4.14Å; I256-V296 HydrophobicContact CD1-CG1 4.13Å; I256-V296 HydrophobicContact CD1-CG2 4.05Å; I256-V296 HydrophobicContact CG1-CB 4.23Å; I256-V296 HydrophobicContact CG1-CG1 3.85Å; L286-V296 HydrophobicContact CD2-CG2 4.05Å; N287-V296 PolarHBondContact ND2-O 2.96Å; N287-V296 PolarHBondContact OD1-N 3.13Å; Y294-V296 HydrophobicContact CD2-CG2 4.16Å; Y294-V296 HydrophobicContact CE2-CG2 4.19Å; V296-N298 VanDerWaalsContact CG1-O 3.28Å; V296-N298 WeakPolarHBondContact CG1-O 3.48Å
297	E	96.2	Very high	95.2	Very high	86 Å²	86	35.2 Å²	35.2	40%	0.402	19%	0.192	S	C	.	.			trans	-104.3	-21.2	-180	-76.4	-177.6	-146.3	0	0	113.1	I101 S318 M321	I101-E297 HydrophobicContact CD1-CB 4.49Å; I101-E297 HydrophobicContact CD1-CG 3.35Å; I101-E297 HydrophobicContact CG1-CG 3.87Å; E297-S318 WeakPolarHBondContact O-CA 3.21Å; E297-S318 PolarHBondContact OE2-OG 2.85Å; E297-M321 WeakPolarHBondContact O-CB 3.4Å; E297-M321 VanDerWaalsContact O-CG 3.28Å; E297-M321 WeakPolarHBondContact O-CG 3.46Å
298	N	98.1	Very high	95.2	Very high	30 Å²	30	35.7 Å²	35.7	16%	0.16	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	156.5	-172	-57.3	-84.1	0	0	0	111.2	V253 C255 I256 V296 I316 N317 S318	V253-N298 HydrophobicContact CG1-CB 3.92Å; V253-N298 VanDerWaalsContact CG1-ND2 3.29Å; V253-N298 WeakPolarHBondContact CG1-ND2 3.38Å; C255-N298 VanDerWaalsContact CA-O 3.32Å; C255-N298 WeakPolarHBondContact CA-O 3.22Å; I256-N298 PolarHBondContact N-O 3.02Å; I256-N298 VanDerWaalsContact N-O 3.07Å; V296-N298 VanDerWaalsContact CG1-O 3.28Å; V296-N298 WeakPolarHBondContact CG1-O 3.48Å; N298-I316 WeakPolarHBondContact CA-O 3.23Å; N298-N317 WeakPolarHBondContact OD1-CA 3.03Å; N298-S318 PolarHBondContact OD1-N 3.22Å
299	G	98.3	Very high	95.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	157.5	176.6	0	0	0	0	0	111.7	I256 I316	I256-G299 CarbonylContact O-C 3.42Å; I256-G299 WeakPolarHBondContact O-CA 3.48Å; G299-I316 PolarHBondContact N-O 3.38Å; G299-I316 PolarHBondContact O-N 3.21Å
300	L	98.6	Very high	95.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	124.9	169.9	-177	67.4	0	0	0	109.1	Y250 C255 I256 I257 D258 V302 A313 Q315	Y250-L300 HydrophobicContact CD1-CD1 3.98Å; Y250-L300 HydrophobicContact CD1-CD2 3.91Å; Y250-L300 HydrophobicContact CD2-CD2 3.76Å; Y250-L300 HydrophobicContact CE1-CD1 4.01Å; Y250-L300 HydrophobicContact CE1-CD2 4.4Å; Y250-L300 HydrophobicContact CE2-CD2 4.28Å; Y250-L300 HydrophobicContact CG-CD1 4.48Å; Y250-L300 HydrophobicContact CG-CD2 3.56Å; C255-L300 HydrophobicContact CB-CB 4.19Å; I256-L300 PolarHBondContact O-N 3.18Å; I257-L300 CarbonylContact C-O 3.54Å; I257-L300 WeakPolarHBondContact CA-O 3.34Å; I257-L300 HydrophobicContact CD1-CD2 4.14Å; I257-L300 HydrophobicContact CG1-CB 4.15Å; I257-L300 HydrophobicContact CG1-CD2 4.14Å; I257-L300 HydrophobicContact CG2-CB 4.35Å; I257-L300 HydrophobicContact CG2-CD2 4.02Å; I257-L300 HydrophobicContact CG2-CG 4.35Å; D258-L300 PolarHBondContact N-O 3.39Å; L300-V302 HydrophobicContact CD2-CG2 3.78Å; L300-V302 HydrophobicContact CG-CG2 3.78Å; L300-A313 HydrophobicContact CD1-CB 4.21Å; L300-Q315 HydrophobicContact CD1-CB 4.09Å
301	I	98.8	Very high	95.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	122.6	170.3	-60.3	161.8	0	0	0	107.7	D258 K260 L269 T272 N275 P276 V279 V303 H314 I316	D258-I301 WeakPolarHBondContact O-CA 3.35Å; K260-I301 HydrophobicContact CG-CG2 4.43Å; L269-I301 HydrophobicContact CD1-CD1 3.87Å; T272-I301 HydrophobicContact CG2-CG2 4.23Å; N275-I301 HydrophobicContact CB-CD1 3.67Å; N275-I301 HydrophobicContact CB-CG1 4.32Å; N275-I301 HydrophobicContact CB-CG2 4.37Å; P276-I301 HydrophobicContact CB-CD1 4.26Å; P276-I301 HydrophobicContact CG-CD1 3.8Å; V279-I301 HydrophobicContact CG2-CD1 4.38Å; V279-I301 HydrophobicContact CG2-CG1 3.83Å; I301-V303 HydrophobicContact CG2-CG2 4.29Å; I301-H314 HydrophobicContact CB-CB 4.37Å; I301-H314 PolarHBondContact N-O 3.47Å; I301-H314 PolarHBondContact O-N 3.41Å; I301-I316 HydrophobicContact CD1-CD1 3.87Å; I301-I316 HydrophobicContact CG1-CD1 4.32Å
302	V	98.6	Very high	96.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	116.2	178.9	-173	0	0	0	0	109.3	I216 V219 I257 D258 W259 K260 L300 A311	I216-V302 HydrophobicContact CG2-CG1 3.81Å; V219-V302 HydrophobicContact CB-CG1 4.49Å; V219-V302 HydrophobicContact CG1-CG1 4.24Å; V219-V302 HydrophobicContact CG1-CG2 3.95Å; V219-V302 HydrophobicContact CG2-CG1 4.16Å; I257-V302 HydrophobicContact CG2-CG2 4.15Å; D258-V302 PolarHBondContact O-N 2.93Å; W259-V302 HydrophobicContact CD2-CB 4.47Å; W259-V302 HydrophobicContact CE3-CB 3.59Å; W259-V302 HydrophobicContact CE3-CG1 3.85Å; W259-V302 HydrophobicContact CE3-CG2 3.95Å; W259-V302 HydrophobicContact CH2-CG2 4.39Å; W259-V302 HydrophobicContact CZ3-CB 3.8Å; W259-V302 HydrophobicContact CZ3-CG1 3.78Å; W259-V302 HydrophobicContact CZ3-CG2 3.78Å; K260-V302 PolarHBondContact N-O 2.84Å; L300-V302 HydrophobicContact CD2-CG2 3.78Å; L300-V302 HydrophobicContact CG-CG2 3.78Å; V302-A311 HydrophobicContact CG1-CB 4.05Å
303	V	98.4	Very high	96.6	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	107.7	178	-172.2	0	0	0	0	109.5	K260 K266 T272 I301 Y305 A311 H312	K260-V303 CarbonylContact O-C 3.47Å; K260-V303 WeakPolarHBondContact O-CA 3.25Å; K266-V303 HydrophobicContact CB-CB 4.46Å; K266-V303 HydrophobicContact CB-CG1 4.16Å; K266-V303 HydrophobicContact CB-CG2 4.17Å; K266-V303 HydrophobicContact CD-CG1 4.03Å; K266-V303 HydrophobicContact CD-CG2 4.15Å; K266-V303 HydrophobicContact CG-CG1 4.22Å; T272-V303 HydrophobicContact CG2-CG2 4.19Å; I301-V303 HydrophobicContact CG2-CG2 4.29Å; V303-Y305 HydrophobicContact CG1-CE1 3.73Å; V303-A311 WeakPolarHBondContact O-CA 3.31Å; V303-A311 VanDerWaalsContact O-CB 3.23Å; V303-A311 WeakPolarHBondContact O-CB 3.43Å; V303-H312 PolarHBondContact N-O 3.25Å; V303-H312 PolarHBondContact O-N 2.97Å
304	A	97.8	Very high	96.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	144.4	177.5	0	0	0	0	0	111.8	F180 Y212 I216 K260 S262	F180-A304 HydrophobicContact CE1-CB 4.33Å; F180-A304 HydrophobicContact CE2-CB 4.13Å; F180-A304 HydrophobicContact CZ-CB 3.71Å; Y212-A304 HydrophobicContact CD1-CB 4.01Å; I216-A304 HydrophobicContact CG2-CB 3.54Å; K260-A304 PolarHBondContact O-N 3.17Å; S262-A304 PolarHBondContact N-O 2.91Å
305	Y	97.3	Very high	97.2	Very high	9 Å²	9	35.3 Å²	35.3	4%	0.035	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	142.7	-178.3	-53.2	-65	0	0	0	112.6	G211 S215 K264 K266 V303 D307 G308 S309 P310 H312	G211-Y305 CarbonylContact C-O 3.55Å; S215-Y305 WeakPolarHBondContact CB-O 3.46Å; S215-Y305 PolarHBondContact OG-N 3.44Å; K264-Y305 WeakPolarHBondContact O-CE1 3.1Å; K266-Y305 PolarHBondContact N-OH 3.44Å; V303-Y305 HydrophobicContact CG1-CE1 3.73Å; Y305-D307 VanDerWaalsContact C-N 3.26Å; Y305-D307 VanDerWaalsContact CB-OD1 3.29Å; Y305-D307 WeakPolarHBondContact CB-OD1 3.41Å; Y305-D307 PolarHBondContact O-N 2.92Å; Y305-G308 PolarHBondContact O-N 3.36Å; Y305-S309 WeakPolarHBondContact CB-OG 3.29Å; Y305-S309 WeakPolarHBondContact CD2-OG 3.47Å; Y305-P310 WeakPolarHBondContact CE2-O 3.22Å; Y305-H312 AromaticContact CE2-ND1 3.33Å; Y305-H312 VanDerWaalsContact CE2-ND1 3.33Å; Y305-H312 WeakPolarHBondContact CE2-ND1 3.42Å; Y305-H312 AromaticContact CZ-ND1 3.55Å; Y305-H312 PolarHBondContact OH-ND1 3.2Å
306	K	94.8	Very high	97.4	Very high	102 Å²	102	34.1 Å²	34.1	44%	0.443	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-28.4	-174.4	-169.7	177.2	175.9	178.9	0	113.3	G211 Y212 G308	G211-K306 WeakPolarHBondContact CA-O 3.46Å; Y212-K306 HydrophobicContact CD1-CB 4.45Å; Y212-K306 VanDerWaalsContact CE1-CA 3.48Å; Y212-K306 HydrophobicContact CE1-CB 3.7Å; Y212-K306 HydrophobicContact CE1-CG 4.48Å; Y212-K306 HydrophobicContact CE2-CB 4.24Å; Y212-K306 HydrophobicContact CE2-CG 4.14Å; K306-G308 PolarHBondContact O-N 3.17Å
307	D	94.4	Very high	97.5	Very high	124 Å²	124	37.3 Å²	37.3	66%	0.663	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-2.2	-177.6	66	-10.5	0	0	0	113.6	Y305 S309	Y305-D307 VanDerWaalsContact C-N 3.26Å; Y305-D307 VanDerWaalsContact CB-OD1 3.29Å; Y305-D307 WeakPolarHBondContact CB-OD1 3.41Å; Y305-D307 PolarHBondContact O-N 2.92Å; D307-S309 PolarHBondContact O-N 3.37Å; D307-S309 WeakPolarHBondContact OD1-CB 3.47Å; D307-S309 PolarHBondContact OD1-N 2.99Å; D307-S309 PolarHBondContact OD1-OG 3.39Å; D307-S309 PolarHBondContact OD2-OG 3.43Å
308	G	94.6	Very high	97.5	Very high	12 Å²	12	34.9 Å²	34.9	12%	0.124	20%	0.195	C	C	.	.			trans	78.5	4.5	-176.2	0	0	0	0	0	114.2	G211 Y305 K306	G211-G308 VanDerWaalsContact O-CA 3.31Å; G211-G308 WeakPolarHBondContact O-CA 3.39Å; Y305-G308 PolarHBondContact O-N 3.36Å; K306-G308 PolarHBondContact O-N 3.17Å
309	S	97	Very high	97.4	Very high	40 Å²	40	40.1 Å²	40.1	28%	0.28	22%	0.219	S	C	.	.	P	Polyproline II helix	trans	-60.6	150.3	172	63.7	0	0	0	0	110.8	S215 Y305 D307 A311	S215-S309 WeakPolarHBondContact CA-O 3.31Å; S215-S309 WeakPolarHBondContact CB-O 3.49Å; S215-S309 PolarHBondContact OG-O 2.96Å; Y305-S309 WeakPolarHBondContact CB-OG 3.29Å; Y305-S309 WeakPolarHBondContact CD2-OG 3.47Å; D307-S309 PolarHBondContact O-N 3.37Å; D307-S309 WeakPolarHBondContact OD1-CB 3.47Å; D307-S309 PolarHBondContact OD1-N 2.99Å; D307-S309 PolarHBondContact OD1-OG 3.39Å; D307-S309 PolarHBondContact OD2-OG 3.43Å; S309-A311 PolarHBondContact O-N 2.88Å
310	P	98.1	Very high	97.4	Very high	93 Å²	93	42.3 Å²	42.3	60%	0.604	23%	0.23	S	C	*	.	P	Polyproline II helix	trans	-56.3	126.2	-175.8	-27.1	35.4	0	0	0	112.9	Y305	Y305-P310 WeakPolarHBondContact CE2-O 3.22Å
311	A	98.1	Very high	97.3	Very high	8 Å²	8	42.3 Å²	42.3	7%	0.066	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-56.7	153.2	174.2	0	0	0	0	0	112.1	S215 I216 H218 V219 V302 V303 S309	S215-A311 VanDerWaalsContact O-CB 3.27Å; S215-A311 WeakPolarHBondContact O-CB 3.36Å; S215-A311 PolarHBondContact O-N 3.1Å; S215-A311 WeakPolarHBondContact OG-CA 3.08Å; S215-A311 PolarHBondContact OG-N 3.39Å; S215-A311 VanDerWaalsContact OG-N 3.16Å; I216-A311 HydrophobicContact CB-CB 4.5Å; I216-A311 HydrophobicContact CG2-CB 3.77Å; H218-A311 PolarHBondContact CE1-N 2.92Å; V219-A311 HydrophobicContact CG2-CB 4.35Å; V302-A311 HydrophobicContact CG1-CB 4.05Å; V303-A311 WeakPolarHBondContact O-CA 3.31Å; V303-A311 VanDerWaalsContact O-CB 3.23Å; V303-A311 WeakPolarHBondContact O-CB 3.43Å; S309-A311 PolarHBondContact O-N 2.88Å
312	H	98.5	Very high	97.2	Very high	64 Å²	64	44.2 Å²	44.2	30%	0.296	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	120.9	170.2	-71.5	68.4	0	0	0	110	P267 V303 Y305	P267-H312 VanDerWaalsContact CA-CD2 3.43Å; P267-H312 WeakPolarHBondContact CA-CD2 3.39Å; V303-H312 PolarHBondContact N-O 3.25Å; V303-H312 PolarHBondContact O-N 2.97Å; Y305-H312 AromaticContact CE2-ND1 3.33Å; Y305-H312 VanDerWaalsContact CE2-ND1 3.33Å; Y305-H312 WeakPolarHBondContact CE2-ND1 3.42Å; Y305-H312 AromaticContact CZ-ND1 3.55Å; Y305-H312 PolarHBondContact OH-ND1 3.2Å
313	A	98.1	Very high	97.1	Very high	37 Å²	37	49.7 Å²	49.7	31%	0.306	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	113.1	177.2	0	0	0	0	0	109.8	V219 L300	V219-A313 HydrophobicContact CG1-CB 4.41Å; V219-A313 HydrophobicContact CG2-CB 4.21Å; L300-A313 HydrophobicContact CD1-CB 4.21Å
314	H	98.3	Very high	97	Very high	22 Å²	22	52.2 Å²	52.2	10%	0.102	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	94.7	-179.9	-54.9	-75	0	0	0	109.8	K266 P267 L269 I301	K266-H314 PolarHBondContact O-CE1 3.39Å; K266-H314 VanDerWaalsContact O-CE1 3.22Å; K266-H314 PolarHBondContact O-NE2 2.99Å; P267-H314 PolarHBondContact O-CE1 3.28Å; L269-H314 HydrophobicContact CD1-CB 3.77Å; L269-H314 PolarHBondContact N-ND1 2.81Å; I301-H314 HydrophobicContact CB-CB 4.37Å; I301-H314 PolarHBondContact N-O 3.47Å; I301-H314 PolarHBondContact O-N 3.41Å
315	Q	97.9	Very high	97	Very high	87 Å²	87	52.5 Å²	52.5	41%	0.407	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	132.5	175.4	-170.4	172.9	9.3	0	0	110.2	L300	L300-Q315 HydrophobicContact CD1-CB 4.09Å
316	I	98.2	Very high	97	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	117.3	179.9	-49	172.7	0	0	0	107	L269 P276 N298 G299 I301 L320 M321 Y324	L269-I316 HydrophobicContact CD1-CD1 4.17Å; L269-I316 HydrophobicContact CD1-CG1 4.17Å; L269-I316 HydrophobicContact CD2-CG1 4.4Å; P276-I316 HydrophobicContact CB-CD1 3.91Å; N298-I316 WeakPolarHBondContact CA-O 3.23Å; G299-I316 PolarHBondContact N-O 3.38Å; G299-I316 PolarHBondContact O-N 3.21Å; I301-I316 HydrophobicContact CD1-CD1 3.87Å; I301-I316 HydrophobicContact CG1-CD1 4.32Å; I316-L320 HydrophobicContact CG2-CB 3.83Å; I316-L320 HydrophobicContact CG2-CD2 3.89Å; I316-L320 HydrophobicContact CG2-CG 3.78Å; I316-M321 HydrophobicContact CB-CG 4.12Å; I316-M321 HydrophobicContact CB-SD 4.05Å; I316-M321 HydrophobicContact CD1-SD 4.37Å; I316-M321 HydrophobicContact CG2-CB 4.49Å; I316-M321 HydrophobicContact CG2-CG 3.63Å; I316-M321 HydrophobicContact CG2-SD 3.78Å; I316-Y324 HydrophobicContact CG2-CD2 4.12Å; I316-Y324 HydrophobicContact CG2-CE2 4.21Å
317	N	97.4	Very high	97.1	Very high	69 Å²	69	54.9 Å²	54.9	37%	0.369	30%	0.296	S	S	.	.			trans	-76.7	170.8	179.7	73.3	2.2	0	0	0	112.1	N298 E319 L320 M321	N298-N317 WeakPolarHBondContact OD1-CA 3.03Å; N317-E319 VanDerWaalsContact C-N 3.3Å; N317-E319 PolarHBondContact ND2-OE2 2.81Å; N317-E319 PolarHBondContact O-N 2.87Å; N317-E319 PolarHBondContact OD1-N 3.38Å; N317-L320 PolarHBondContact O-N 2.96Å; N317-L320 VanDerWaalsContact OD1-CB 3.26Å; N317-L320 WeakPolarHBondContact OD1-CB 3.48Å; N317-L320 PolarHBondContact OD1-N 3.38Å; N317-M321 WeakPolarHBondContact O-CB 3.46Å; N317-M321 VanDerWaalsContact O-CG 3.27Å; N317-M321 WeakPolarHBondContact O-CG 3.34Å; N317-M321 PolarHBondContact O-N 3.44Å
318	S	96.4	Very high	97.3	Very high	34 Å²	34	49 Å²	49	24%	0.238	26%	0.264	C	S	.	.	H	α-helix	trans	-56.3	-38.2	-178.7	-170.8	0	0	0	0	114.2	E297 N298 S322	E297-S318 WeakPolarHBondContact O-CA 3.21Å; E297-S318 PolarHBondContact OE2-OG 2.85Å; N298-S318 PolarHBondContact OD1-N 3.22Å; S318-S322 PolarHBondContact O-N 3.38Å; S318-S322 PolarHBondContact O-OG 3.45Å
319	E	96.4	Very high	97.4	Very high	141 Å²	141	48.7 Å²	48.7	66%	0.659	26%	0.259	S	S	*	.	H	α-helix	trans	-64.7	-51.3	178.6	-64.4	134.2	-174.5	0	0	111.1	N317 S322 E323	N317-E319 VanDerWaalsContact C-N 3.3Å; N317-E319 PolarHBondContact ND2-OE2 2.81Å; N317-E319 PolarHBondContact O-N 2.87Å; N317-E319 PolarHBondContact OD1-N 3.38Å; E319-S322 WeakPolarHBondContact O-CB 3.4Å; E319-S322 PolarHBondContact O-N 3.21Å; E319-S322 VanDerWaalsContact O-N 3.15Å; E319-E323 PolarHBondContact O-N 3.41Å; E319-E323 VanDerWaalsContact O-N 3.17Å
320	L	97.1	Very high	97.3	Very high	46 Å²	46	48.2 Å²	48.2	24%	0.241	25%	0.254	C	S	.	.	H	α-helix	trans	-70.3	-33.9	-178.6	-173.6	60	0	0	0	111.8	L269 I316 N317 S322 E323 Y324	L269-L320 HydrophobicContact CD2-CD2 3.74Å; I316-L320 HydrophobicContact CG2-CB 3.83Å; I316-L320 HydrophobicContact CG2-CD2 3.89Å; I316-L320 HydrophobicContact CG2-CG 3.78Å; N317-L320 PolarHBondContact O-N 2.96Å; N317-L320 VanDerWaalsContact OD1-CB 3.26Å; N317-L320 WeakPolarHBondContact OD1-CB 3.48Å; N317-L320 PolarHBondContact OD1-N 3.38Å; L320-S322 VanDerWaalsContact C-N 3.27Å; L320-S322 PolarHBondContact O-N 2.82Å; L320-E323 HydrophobicContact CD1-CB 4.5Å; L320-E323 PolarHBondContact O-N 3.28Å; L320-Y324 HydrophobicContact CD1-CD2 4.24Å; L320-Y324 HydrophobicContact CD1-CE2 3.7Å; L320-Y324 HydrophobicContact CD2-CE2 3.83Å; L320-Y324 HydrophobicContact CG-CD2 3.89Å; L320-Y324 HydrophobicContact CG-CE2 3.43Å; L320-Y324 VanDerWaalsContact CG-CE2 3.43Å; L320-Y324 VanDerWaalsContact O-CD2 3.23Å; L320-Y324 WeakPolarHBondContact O-CD2 3.07Å; L320-Y324 PolarHBondContact O-N 3.24Å
321	M	97.9	Very high	97.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-58.3	-40.8	169.9	-78.1	-67.6	-71	0	0	111.5	F100 V279 A280 A283 E297 I316 N317 E323 Y324 W325	F100-M321 HydrophobicContact CE1-CB 3.94Å; F100-M321 HydrophobicContact CE2-CE 4.3Å; F100-M321 HydrophobicContact CZ-CB 3.99Å; F100-M321 HydrophobicContact CZ-CE 3.68Å; V279-M321 HydrophobicContact CG1-CE 3.99Å; V279-M321 HydrophobicContact CG1-SD 3.99Å; A280-M321 HydrophobicContact CB-CE 4.23Å; A280-M321 HydrophobicContact CB-SD 4.46Å; A283-M321 HydrophobicContact CB-CE 3.59Å; E297-M321 WeakPolarHBondContact O-CB 3.4Å; E297-M321 VanDerWaalsContact O-CG 3.28Å; E297-M321 WeakPolarHBondContact O-CG 3.46Å; I316-M321 HydrophobicContact CB-CG 4.12Å; I316-M321 HydrophobicContact CB-SD 4.05Å; I316-M321 HydrophobicContact CD1-SD 4.37Å; I316-M321 HydrophobicContact CG2-CB 4.49Å; I316-M321 HydrophobicContact CG2-CG 3.63Å; I316-M321 HydrophobicContact CG2-SD 3.78Å; N317-M321 WeakPolarHBondContact O-CB 3.46Å; N317-M321 VanDerWaalsContact O-CG 3.27Å; N317-M321 WeakPolarHBondContact O-CG 3.34Å; N317-M321 PolarHBondContact O-N 3.44Å; M321-E323 VanDerWaalsContact C-N 3.34Å; M321-E323 PolarHBondContact O-N 2.94Å; M321-Y324 PolarHBondContact O-N 3.13Å; M321-W325 WeakPolarHBondContact O-CB 3.36Å; M321-W325 PolarHBondContact O-N 2.77Å
322	S	95.9	Very high	97.2	Very high	39 Å²	39	45 Å²	45	27%	0.273	23%	0.228	S	C	.	.	H	α-helix	trans	-66.9	-33	176.6	-62.3	0	0	0	0	112.8	S318 E319 L320 K326	S318-S322 PolarHBondContact O-N 3.38Å; S318-S322 PolarHBondContact O-OG 3.45Å; E319-S322 WeakPolarHBondContact O-CB 3.4Å; E319-S322 PolarHBondContact O-N 3.21Å; E319-S322 VanDerWaalsContact O-N 3.15Å; L320-S322 VanDerWaalsContact C-N 3.27Å; L320-S322 PolarHBondContact O-N 2.82Å; S322-K326 WeakPolarHBondContact O-CG 3.45Å; S322-K326 PolarHBondContact O-N 3.02Å
323	E	96.1	Very high	97.1	Very high	116 Å²	116	42.9 Å²	42.9	54%	0.542	22%	0.218	S	C	.	.	H	α-helix	trans	-69.5	-44.8	173.2	-65.8	-174.8	170.6	0	0	112.1	E319 L320 M321 W325 K326 T327	E319-E323 PolarHBondContact O-N 3.41Å; E319-E323 VanDerWaalsContact O-N 3.17Å; L320-E323 HydrophobicContact CD1-CB 4.5Å; L320-E323 PolarHBondContact O-N 3.28Å; M321-E323 VanDerWaalsContact C-N 3.34Å; M321-E323 PolarHBondContact O-N 2.94Å; E323-W325 VanDerWaalsContact C-N 3.27Å; E323-W325 PolarHBondContact O-N 3.11Å; E323-K326 WeakPolarHBondContact O-CB 3.24Å; E323-K326 PolarHBondContact O-N 3.43Å; E323-T327 PolarHBondContact O-N 3.08Å; E323-T327 VanDerWaalsContact O-N 3.08Å; E323-T327 PolarHBondContact O-OG1 3.43Å
324	Y	97.7	Very high	96.9	Very high	54 Å²	54	42.9 Å²	42.9	21%	0.212	21%	0.213	C	C	.	.	H	α-helix	trans	-67.1	-30	175	-70.6	-51.4	0	0	0	112.6	L269 P276 V277 I316 L320 M321 T327 W328	L269-Y324 HydrophobicContact CD2-CE2 4.08Å; L269-Y324 WeakPolarHBondContact CD2-OH 3.47Å; P276-Y324 HydrophobicContact CB-CD1 3.9Å; P276-Y324 HydrophobicContact CB-CD2 3.44Å; P276-Y324 VanDerWaalsContact CB-CD2 3.44Å; P276-Y324 HydrophobicContact CB-CE1 3.77Å; P276-Y324 HydrophobicContact CB-CE2 3.26Å; P276-Y324 HydrophobicContact CB-CG 3.76Å; P276-Y324 VanDerWaalsContact CB-CZ 3.46Å; P276-Y324 HydrophobicContact CG-CE1 4.38Å; P276-Y324 HydrophobicContact CG-CE2 4.14Å; V277-Y324 HydrophobicContact CG2-CD1 4.07Å; I316-Y324 HydrophobicContact CG2-CD2 4.12Å; I316-Y324 HydrophobicContact CG2-CE2 4.21Å; L320-Y324 HydrophobicContact CD1-CD2 4.24Å; L320-Y324 HydrophobicContact CD1-CE2 3.7Å; L320-Y324 HydrophobicContact CD2-CE2 3.83Å; L320-Y324 HydrophobicContact CG-CD2 3.89Å; L320-Y324 HydrophobicContact CG-CE2 3.43Å; L320-Y324 VanDerWaalsContact CG-CE2 3.43Å; L320-Y324 VanDerWaalsContact O-CD2 3.23Å; L320-Y324 WeakPolarHBondContact O-CD2 3.07Å; L320-Y324 PolarHBondContact O-N 3.24Å; M321-Y324 PolarHBondContact O-N 3.13Å; Y324-T327 WeakPolarHBondContact O-CB 3.18Å; Y324-T327 PolarHBondContact O-N 2.71Å; Y324-W328 PolarHBondContact O-N 2.94Å
325	W	97.7	Very high	96.8	Very high	6 Å²	6	42.4 Å²	42.4	2%	0.023	21%	0.211	C	C	.	.	H	α-helix	trans	-61.9	-44.9	171	175.1	-112.8	0	0	0	112.1	H98 F100 H235 L238 Y240 A280 M321 E323 T327 W328 L329	H98-W325 HydrophobicContact CB-CZ2 4.22Å; H98-W325 PolarHBondContact O-NE1 3.29Å; F100-W325 HydrophobicContact CB-CB 4.48Å; F100-W325 HydrophobicContact CB-CG 4.02Å; F100-W325 HydrophobicContact CD2-CB 3.84Å; F100-W325 AromaticContact CD2-CD2 3.85Å; F100-W325 HydrophobicContact CD2-CD2 3.85Å; F100-W325 HydrophobicContact CD2-CE3 4.13Å; F100-W325 AromaticContact CD2-CG 3.7Å; F100-W325 HydrophobicContact CD2-CG 3.7Å; F100-W325 HydrophobicContact CE2-CB 4.44Å; F100-W325 HydrophobicContact CG-CB 4.3Å; F100-W325 HydrophobicContact CG-CG 4.19Å; H235-W325 AromaticContact CD2-CH2 3.93Å; L238-W325 HydrophobicContact CD1-CH2 3.64Å; L238-W325 HydrophobicContact CD1-CZ2 3.77Å; Y240-W325 WeakPolarHBondContact OH-CH2 3.42Å; Y240-W325 VanDerWaalsContact OH-CZ3 3.29Å; Y240-W325 WeakPolarHBondContact OH-CZ3 3.33Å; A280-W325 HydrophobicContact CB-CB 4.43Å; M321-W325 WeakPolarHBondContact O-CB 3.36Å; M321-W325 PolarHBondContact O-N 2.77Å; E323-W325 VanDerWaalsContact C-N 3.27Å; E323-W325 PolarHBondContact O-N 3.11Å; W325-T327 VanDerWaalsContact C-N 3.28Å; W325-T327 PolarHBondContact O-N 3.18Å; W325-W328 HydrophobicContact CE3-CB 4.5Å; W325-W328 AromaticContact CE3-CD1 3.5Å; W325-W328 HydrophobicContact CE3-CG 4.3Å; W325-W328 AromaticContact CH2-CD1 3.87Å; W325-W328 AromaticContact CZ3-CD1 3.21Å; W325-W328 HydrophobicContact CZ3-CG 4.29Å; W325-W328 AromaticContact CZ3-NE1 3.61Å; W325-W328 WeakPolarHBondContact O-CB 3.06Å; W325-W328 PolarHBondContact O-N 3.36Å; W325-L329 HydrophobicContact CD2-CG 4.44Å; W325-L329 HydrophobicContact CH2-CD2 4.18Å; W325-L329 HydrophobicContact CZ2-CD1 4.5Å; W325-L329 HydrophobicContact CZ2-CD2 3.71Å; W325-L329 HydrophobicContact CZ2-CG 4.24Å; W325-L329 WeakPolarHBondContact O-CG 3.49Å; W325-L329 PolarHBondContact O-N 3.48Å
326	K	96.8	Very high	96.6	Very high	101 Å²	101	43.4 Å²	43.4	44%	0.439	21%	0.211	S	C	.	.	H	α-helix	trans	-59.6	-42.3	173.3	-67	168.6	-173.2	171.6	0	111.1	P94 S322 E323 W328 L329 I330	P94-K326 HydrophobicContact CG-CB 4.18Å; S322-K326 WeakPolarHBondContact O-CG 3.45Å; S322-K326 PolarHBondContact O-N 3.02Å; E323-K326 WeakPolarHBondContact O-CB 3.24Å; E323-K326 PolarHBondContact O-N 3.43Å; K326-W328 VanDerWaalsContact C-N 3.34Å; K326-W328 PolarHBondContact O-N 3.03Å; K326-L329 PolarHBondContact O-N 2.79Å; K326-I330 WeakPolarHBondContact O-CD1 3.3Å; K326-I330 WeakPolarHBondContact O-CG1 3.5Å; K326-I330 PolarHBondContact O-N 3.13Å
327	T	96.3	Very high	96.3	Very high	60 Å²	60	46.8 Å²	46.8	37%	0.368	23%	0.227	S	C	.	.	H	α-helix	trans	-59.6	-45.6	175.4	-55	0	0	0	0	111.1	V277 E323 Y324 W325 L329 I330 R331	V277-T327 HydrophobicContact CG1-CG2 4.5Å; V277-T327 HydrophobicContact CG2-CG2 3.87Å; E323-T327 PolarHBondContact O-N 3.08Å; E323-T327 VanDerWaalsContact O-N 3.08Å; E323-T327 PolarHBondContact O-OG1 3.43Å; Y324-T327 WeakPolarHBondContact O-CB 3.18Å; Y324-T327 PolarHBondContact O-N 2.71Å; W325-T327 VanDerWaalsContact C-N 3.28Å; W325-T327 PolarHBondContact O-N 3.18Å; T327-L329 PolarHBondContact O-N 3.13Å; T327-I330 PolarHBondContact O-N 2.97Å; T327-R331 WeakPolarHBondContact O-CG 3.46Å; T327-R331 PolarHBondContact O-N 2.65Å; T327-R331 VanDerWaalsContact O-N 3.11Å
328	W	97.9	Very high	96	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-58.3	-44.7	175.5	164.6	-109	0	0	0	112.7	V134 I137 L138 Y240 V277 A281 Y324 W325 K326 I330 R331 L332	V134-W328 HydrophobicContact CB-CH2 4.23Å; V134-W328 HydrophobicContact CG1-CH2 4.11Å; V134-W328 HydrophobicContact CG1-CZ3 4.01Å; V134-W328 HydrophobicContact CG2-CH2 4.09Å; V134-W328 HydrophobicContact CG2-CZ2 4.31Å; I137-W328 HydrophobicContact CB-CH2 3.76Å; I137-W328 HydrophobicContact CB-CZ3 3.94Å; I137-W328 HydrophobicContact CD1-CH2 3.53Å; I137-W328 HydrophobicContact CD1-CZ2 4.07Å; I137-W328 HydrophobicContact CG1-CH2 4.25Å; I137-W328 HydrophobicContact CG2-CH2 3.64Å; I137-W328 HydrophobicContact CG2-CZ3 3.56Å; L138-W328 HydrophobicContact CD2-CE3 3.98Å; L138-W328 HydrophobicContact CD2-CZ3 3.95Å; L138-W328 HydrophobicContact CG-CE3 4.49Å; L138-W328 HydrophobicContact CG-CZ3 4.04Å; Y240-W328 AromaticContact CD1-CZ2 3.84Å; Y240-W328 HydrophobicContact CD1-CZ2 3.84Å; Y240-W328 HydrophobicContact CD2-CH2 4.38Å; Y240-W328 AromaticContact CD2-CZ2 3.63Å; Y240-W328 HydrophobicContact CD2-CZ2 3.63Å; Y240-W328 AromaticContact CE1-CZ2 3.93Å; Y240-W328 HydrophobicContact CE1-CZ2 3.93Å; Y240-W328 AromaticContact CE1-NE1 3.51Å; Y240-W328 AromaticContact CE2-CZ2 3.71Å; Y240-W328 HydrophobicContact CE2-CZ2 3.71Å; Y240-W328 AromaticContact CG-CZ2 3.7Å; Y240-W328 HydrophobicContact CG-CZ2 3.7Å; Y240-W328 AromaticContact CZ-CE2 3.92Å; Y240-W328 AromaticContact CZ-CZ2 3.88Å; Y240-W328 AromaticContact CZ-NE1 3.46Å; V277-W328 HydrophobicContact CG1-CB 3.69Å; V277-W328 HydrophobicContact CG1-CE3 4.21Å; A281-W328 HydrophobicContact CB-CD2 3.39Å; A281-W328 HydrophobicContact CB-CE3 3.73Å; A281-W328 HydrophobicContact CB-CG 3.75Å; A281-W328 HydrophobicContact CB-CH2 4.22Å; A281-W328 HydrophobicContact CB-CZ2 3.94Å; A281-W328 HydrophobicContact CB-CZ3 4.13Å; Y324-W328 PolarHBondContact O-N 2.94Å; W325-W328 HydrophobicContact CE3-CB 4.5Å; W325-W328 AromaticContact CE3-CD1 3.5Å; W325-W328 HydrophobicContact CE3-CG 4.3Å; W325-W328 AromaticContact CH2-CD1 3.87Å; W325-W328 AromaticContact CZ3-CD1 3.21Å; W325-W328 HydrophobicContact CZ3-CG 4.29Å; W325-W328 AromaticContact CZ3-NE1 3.61Å; W325-W328 WeakPolarHBondContact O-CB 3.06Å; W325-W328 PolarHBondContact O-N 3.36Å; K326-W328 VanDerWaalsContact C-N 3.34Å; K326-W328 PolarHBondContact O-N 3.03Å; W328-I330 VanDerWaalsContact C-N 3.3Å; W328-I330 PolarHBondContact O-N 2.79Å; W328-R331 WeakPolarHBondContact O-CB 3.42Å; W328-R331 PolarHBondContact O-N 2.92Å; W328-R331 VanDerWaalsContact O-N 3.13Å; W328-L332 HydrophobicContact CZ2-CD1 4.47Å; W328-L332 PolarHBondContact O-N 2.75Å
329	L	97.2	Very high	95.6	Very high	5 Å²	5	51.8 Å²	51.8	3%	0.026	24%	0.242	C	C	.	.	H	α-helix	trans	-59.6	-41.1	178.7	-68.5	178.5	0	0	0	111.8	P94 H98 L238 W325 K326 T327 R331 L332 E333	P94-L329 HydrophobicContact CB-CB 3.89Å; P94-L329 HydrophobicContact CB-CD1 4.22Å; P94-L329 HydrophobicContact CG-CB 3.91Å; P94-L329 HydrophobicContact CG-CD1 4.18Å; H98-L329 HydrophobicContact CB-CD1 4.27Å; H98-L329 HydrophobicContact CB-CD2 4.21Å; L238-L329 HydrophobicContact CD1-CD2 3.57Å; L238-L329 HydrophobicContact CD2-CD2 4.43Å; W325-L329 HydrophobicContact CD2-CG 4.44Å; W325-L329 HydrophobicContact CH2-CD2 4.18Å; W325-L329 HydrophobicContact CZ2-CD1 4.5Å; W325-L329 HydrophobicContact CZ2-CD2 3.71Å; W325-L329 HydrophobicContact CZ2-CG 4.24Å; W325-L329 WeakPolarHBondContact O-CG 3.49Å; W325-L329 PolarHBondContact O-N 3.48Å; K326-L329 PolarHBondContact O-N 2.79Å; T327-L329 PolarHBondContact O-N 3.13Å; L329-R331 PolarHBondContact O-N 3.24Å; L329-L332 PolarHBondContact O-N 2.88Å; L329-E333 WeakPolarHBondContact O-CG 3.48Å; L329-E333 PolarHBondContact O-N 2.89Å
330	I	96.4	Very high	95	Very high	31 Å²	31	48.3 Å²	48.3	16%	0.159	23%	0.234	C	C	.	.	H	α-helix	trans	-61.7	-45.7	175.2	-62.1	155.4	0	0	0	110.3	R92 P94 K326 T327 W328 L332 E333 D334	R92-I330 WeakPolarHBondContact O-CD1 3.32Å; P94-I330 HydrophobicContact CG-CG1 4.06Å; K326-I330 WeakPolarHBondContact O-CD1 3.3Å; K326-I330 WeakPolarHBondContact O-CG1 3.5Å; K326-I330 PolarHBondContact O-N 3.13Å; T327-I330 PolarHBondContact O-N 2.97Å; W328-I330 VanDerWaalsContact C-N 3.3Å; W328-I330 PolarHBondContact O-N 2.79Å; I330-L332 VanDerWaalsContact C-N 3.28Å; I330-L332 PolarHBondContact O-N 3.01Å; I330-E333 WeakPolarHBondContact O-CB 3.35Å; I330-E333 PolarHBondContact O-N 2.97Å; I330-E333 VanDerWaalsContact O-N 3.15Å; I330-D334 PolarHBondContact O-N 3.43Å
331	R	96.8	Very high	94.1	Very high	29 Å²	29	49.3 Å²	49.3	11%	0.109	24%	0.244	C	C	.	.	H	α-helix	trans	-61.7	-37.7	177.1	-61.4	-64.7	-70.6	-127.7	-20.9	111.9	L138 T141 D274 T327 W328 L329 Y335	L138-R331 PolarHBondContact O-NH2 3.44Å; T141-R331 WeakPolarHBondContact CG2-O 3.48Å; T141-R331 PolarHBondContact O-NE 3.43Å; T141-R331 PolarHBondContact O-NH1 3.27Å; T141-R331 PolarHBondContact O-NH2 3.45Å; T141-R331 VanDerWaalsContact O-NH2 3.1Å; T141-R331 PolarHBondContact OG1-NE 2.81Å; T141-R331 PolarHBondContact OG1-NH2 2.84Å; D274-R331 IonicContact OD2-NH2 3.99Å; T327-R331 WeakPolarHBondContact O-CG 3.46Å; T327-R331 PolarHBondContact O-N 2.65Å; T327-R331 VanDerWaalsContact O-N 3.11Å; W328-R331 WeakPolarHBondContact O-CB 3.42Å; W328-R331 PolarHBondContact O-N 2.92Å; W328-R331 VanDerWaalsContact O-N 3.13Å; L329-R331 PolarHBondContact O-N 3.24Å; R331-Y335 WeakPolarHBondContact O-CB 3.28Å; R331-Y335 PolarHBondContact O-N 3.14Å
332	L	96.5	Very high	93	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-67.8	-37.7	175.8	-179.2	64.1	0	0	0	112.1	I137 L238 Y240 W328 L329 I330 R336	I137-L332 HydrophobicContact CD1-CD1 3.64Å; I137-L332 HydrophobicContact CG1-CD1 4.47Å; L238-L332 HydrophobicContact CB-CD2 3.93Å; L238-L332 HydrophobicContact CD1-CD2 4.25Å; L238-L332 HydrophobicContact CD2-CD2 3.95Å; L238-L332 HydrophobicContact CG-CD2 4.28Å; Y240-L332 HydrophobicContact CD1-CD2 4.04Å; Y240-L332 HydrophobicContact CE1-CD2 4.4Å; W328-L332 HydrophobicContact CZ2-CD1 4.47Å; W328-L332 PolarHBondContact O-N 2.75Å; L329-L332 PolarHBondContact O-N 2.88Å; I330-L332 VanDerWaalsContact C-N 3.28Å; I330-L332 PolarHBondContact O-N 3.01Å; L332-R336 VanDerWaalsContact O-CG 3.29Å; L332-R336 WeakPolarHBondContact O-CG 3.34Å; L332-R336 PolarHBondContact O-N 3.39Å; L332-R336 VanDerWaalsContact O-N 3.14Å
333	E	95.4	Very high	91.9	Very high	20 Å²	20	53.5 Å²	53.5	9%	0.093	28%	0.277	C	S	.	.	H	α-helix	trans	-63.5	-49.9	172.9	-72.5	173.4	-173	0	0	111.3	R92 K95 T96 L329 I330 Y335 R336 E337	R92-E333 IonicContact NH2-OE2 2.73Å; K95-E333 WeakPolarHBondContact CG-OE2 3.31Å; K95-E333 PolarHBondContact N-OE1 3.23Å; K95-E333 PolarHBondContact N-OE2 3.16Å; T96-E333 PolarHBondContact N-OE1 2.94Å; L329-E333 WeakPolarHBondContact O-CG 3.48Å; L329-E333 PolarHBondContact O-N 2.89Å; I330-E333 WeakPolarHBondContact O-CB 3.35Å; I330-E333 PolarHBondContact O-N 2.97Å; I330-E333 VanDerWaalsContact O-N 3.15Å; E333-Y335 PolarHBondContact O-N 3.19Å; E333-R336 WeakPolarHBondContact O-CB 3.09Å; E333-R336 PolarHBondContact O-N 3.44Å; E333-E337 WeakPolarHBondContact O-CG 3.28Å; E333-E337 PolarHBondContact O-N 3.42Å
334	D	94.8	Very high	90.3	Very high	37 Å²	37	51.8 Å²	51.8	20%	0.198	28%	0.277	C	S	.	.	H	α-helix	trans	-55.9	-42.4	177.9	-68.9	-22.4	0	0	0	111.1	R92 T141 I330 R336 E337 Q338	R92-D334 IonicContact CZ-OD1 3.1Å; R92-D334 IonicContact NH1-OD1 3.93Å; R92-D334 PolarHBondContact NH1-OD1 2.94Å; R92-D334 IonicContact NH2-OD1 3.65Å; T141-D334 HydrophobicContact CG2-CB 4.07Å; I330-D334 PolarHBondContact O-N 3.43Å; D334-R336 PolarHBondContact O-N 3.49Å; D334-E337 PolarHBondContact O-N 3.24Å; D334-Q338 WeakPolarHBondContact O-CB 3.5Å; D334-Q338 VanDerWaalsContact O-CG 3.26Å; D334-Q338 WeakPolarHBondContact O-CG 3.48Å; D334-Q338 PolarHBondContact O-N 3.25Å
335	Y	95.4	Very high	88.5	Confident	12 Å²	12	53.7 Å²	53.7	5%	0.047	30%	0.299	C	S	.	.	H	α-helix	trans	-60.3	-44.2	175.7	-179.2	-93.1	0	0	0	112.8	P132 R136 I137 Q140 T141 R331 E333 K339	P132-Y335 HydrophobicContact CB-CE1 3.91Å; P132-Y335 HydrophobicContact CG-CE1 3.87Å; R136-Y335 HydrophobicContact CG-CE2 4.49Å; I137-Y335 HydrophobicContact CB-CD2 4.23Å; I137-Y335 HydrophobicContact CB-CG 4.4Å; I137-Y335 HydrophobicContact CG1-CD1 4.01Å; I137-Y335 HydrophobicContact CG1-CD2 3.89Å; I137-Y335 HydrophobicContact CG1-CE1 4.25Å; I137-Y335 HydrophobicContact CG1-CE2 4.08Å; I137-Y335 HydrophobicContact CG1-CG 3.86Å; I137-Y335 HydrophobicContact CG2-CD2 4.37Å; I137-Y335 HydrophobicContact CG2-CG 4.24Å; Q140-Y335 HydrophobicContact CB-CD2 4.09Å; Q140-Y335 HydrophobicContact CB-CE2 4.13Å; Q140-Y335 HydrophobicContact CG-CE2 4.44Å; T141-Y335 HydrophobicContact CG2-CD2 4.37Å; R331-Y335 WeakPolarHBondContact O-CB 3.28Å; R331-Y335 PolarHBondContact O-N 3.14Å; E333-Y335 PolarHBondContact O-N 3.19Å; Y335-K339 WeakPolarHBondContact O-CB 3.4Å; Y335-K339 PolarHBondContact O-N 2.78Å; Y335-K339 VanDerWaalsContact O-N 3.11Å
336	R	93.6	Very high	86.3	Confident	107 Å²	107	61.1 Å²	61.1	40%	0.404	34%	0.335	S	S	.	.	H	α-helix	trans	-67.4	-40.8	179.5	-72	168.3	175.9	-174.1	-0.6	111.1	L238 L332 E333 D334 K339 S340	L238-R336 VanDerWaalsContact C-NH2 3.34Å; L238-R336 PolarHBondContact O-NH2 3.07Å; L332-R336 VanDerWaalsContact O-CG 3.29Å; L332-R336 WeakPolarHBondContact O-CG 3.34Å; L332-R336 PolarHBondContact O-N 3.39Å; L332-R336 VanDerWaalsContact O-N 3.14Å; E333-R336 WeakPolarHBondContact O-CB 3.09Å; E333-R336 PolarHBondContact O-N 3.44Å; D334-R336 PolarHBondContact O-N 3.49Å; R336-K339 PolarHBondContact O-N 3.42Å; R336-S340 WeakPolarHBondContact O-CB 3.49Å; R336-S340 PolarHBondContact O-N 2.9Å; R336-S340 PolarHBondContact O-OG 3.47Å
337	E	92.9	Very high	83.6	Confident	72 Å²	72	60.1 Å²	60.1	34%	0.336	34%	0.341	S	S	.	.	H	α-helix	trans	-61.6	-50.3	177.1	-72.7	171.8	-172.2	0	0	110.9	R92 K95 E333 D334 K339 S340 S341	R92-E337 IonicContact NH2-OE1 3.51Å; R92-E337 PolarHBondContact NH2-OE1 3.16Å; R92-E337 IonicContact NH2-OE2 3.19Å; K95-E337 IonicContact NZ-OE1 2.7Å; K95-E337 PolarHBondContact NZ-OE1 3.27Å; E333-E337 WeakPolarHBondContact O-CG 3.28Å; E333-E337 PolarHBondContact O-N 3.42Å; D334-E337 PolarHBondContact O-N 3.24Å; E337-K339 VanDerWaalsContact C-N 3.3Å; E337-K339 PolarHBondContact O-N 2.94Å; E337-S340 PolarHBondContact O-N 3.46Å; E337-S340 VanDerWaalsContact O-N 3.13Å; E337-S340 PolarHBondContact O-OG 3.48Å; E337-S341 PolarHBondContact O-N 2.91Å; E337-S341 PolarHBondContact O-OG 3.21Å
338	Q	91	Very high	81.1	Confident	92 Å²	92	63 Å²	63	43%	0.43	36%	0.361	S	S	.	.	H	α-helix	trans	-59	-39	176.8	-70.7	174.6	13.4	0	0	113	Q140 D334 S341 A342	Q140-Q338 PolarHBondContact O-OE1 2.9Å; D334-Q338 WeakPolarHBondContact O-CB 3.5Å; D334-Q338 VanDerWaalsContact O-CG 3.26Å; D334-Q338 WeakPolarHBondContact O-CG 3.48Å; D334-Q338 PolarHBondContact O-N 3.25Å; Q338-S341 WeakPolarHBondContact CA-OG 3.49Å; Q338-S341 PolarHBondContact O-OG 3.47Å; Q338-A342 WeakPolarHBondContact O-CB 3.46Å; Q338-A342 PolarHBondContact O-N 2.9Å; Q338-A342 VanDerWaalsContact O-N 3.11Å
339	K	87.2	Confident	78.5	Confident	115 Å²	115	72.2 Å²	72.2	50%	0.5	40%	0.404	S	S	.	.	H	α-helix	trans	-68.6	-39.5	177.3	-170.7	179.9	178.2	-176.2	0	111.7	Y335 R336 E337 S343	Y335-K339 WeakPolarHBondContact O-CB 3.4Å; Y335-K339 PolarHBondContact O-N 2.78Å; Y335-K339 VanDerWaalsContact O-N 3.11Å; R336-K339 PolarHBondContact O-N 3.42Å; E337-K339 VanDerWaalsContact C-N 3.3Å; E337-K339 PolarHBondContact O-N 2.94Å; K339-S343 PolarHBondContact O-N 3.1Å; K339-S343 VanDerWaalsContact O-N 3.13Å
340	S	83.8	Confident	75.7	Confident	69 Å²	69	85.2 Å²	85.2	48%	0.483	46%	0.46	S	S	.	.	H	α-helix	trans	-65.6	-44.6	177.4	71.3	0	0	0	0	111.7	R336 E337 A342 S343 S344	R336-S340 WeakPolarHBondContact O-CB 3.49Å; R336-S340 PolarHBondContact O-N 2.9Å; R336-S340 PolarHBondContact O-OG 3.47Å; E337-S340 PolarHBondContact O-N 3.46Å; E337-S340 VanDerWaalsContact O-N 3.13Å; E337-S340 PolarHBondContact O-OG 3.48Å; S340-A342 PolarHBondContact O-N 3.36Å; S340-S343 PolarHBondContact O-N 3.44Å; S340-S343 PolarHBondContact O-OG 2.91Å; S340-S344 PolarHBondContact O-N 3.45Å; S340-S344 VanDerWaalsContact O-N 3.08Å; S340-S344 PolarHBondContact O-OG 3.35Å
341	S	79.6	Confident	74.6	Confident	66 Å²	66	88 Å²	88	46%	0.462	48%	0.475	S	S	.	.	H	α-helix	trans	-64.1	-39.4	178.3	60.1	0	0	0	0	112.3	E337 Q338 S343 S344 S345	E337-S341 PolarHBondContact O-N 2.91Å; E337-S341 PolarHBondContact O-OG 3.21Å; Q338-S341 WeakPolarHBondContact CA-OG 3.49Å; Q338-S341 PolarHBondContact O-OG 3.47Å; S341-S343 VanDerWaalsContact C-N 3.33Å; S341-S343 PolarHBondContact O-N 3.48Å; S341-S344 WeakPolarHBondContact CA-OG 3.47Å; S341-S344 PolarHBondContact O-N 3.46Å; S341-S344 PolarHBondContact O-OG 3.5Å; S341-S345 PolarHBondContact O-N 2.86Å; S341-S345 VanDerWaalsContact O-N 3.13Å; S341-S345 PolarHBondContact O-OG 3.05Å
342	A	74.6	Confident	73.5	Confident	48 Å²	48	91.1 Å²	91.1	40%	0.397	50%	0.495	S	S	.	.	H	α-helix	trans	-64.9	-36.2	175.7	0	0	0	0	0	112.5	Q338 S340 S345 M346	Q338-A342 WeakPolarHBondContact O-CB 3.46Å; Q338-A342 PolarHBondContact O-N 2.9Å; Q338-A342 VanDerWaalsContact O-N 3.11Å; S340-A342 PolarHBondContact O-N 3.36Å; A342-S345 PolarHBondContact O-OG 3.18Å; A342-M346 WeakPolarHBondContact O-CG 3.39Å
343	S	71.4	Confident	72.2	Confident	80 Å²	80	95.9 Å²	95.9	56%	0.559	52%	0.521	S	S	*	.	H	α-helix	trans	-70.6	-35.4	176.4	68.3	0	0	0	0	112.9	K339 S340 S341	K339-S343 PolarHBondContact O-N 3.1Å; K339-S343 VanDerWaalsContact O-N 3.13Å; S340-S343 PolarHBondContact O-N 3.44Å; S340-S343 PolarHBondContact O-OG 2.91Å; S341-S343 VanDerWaalsContact C-N 3.33Å; S341-S343 PolarHBondContact O-N 3.48Å
344	S	63.6	Low	70.8	Confident	79 Å²	79	100.4 Å²	100.4	55%	0.552	55%	0.546	S	S	*	.	H	α-helix	trans	-69.3	-36.3	175.7	46.3	0	0	0	0	112.9	S340 S341 M346 S347	S340-S344 PolarHBondContact O-N 3.45Å; S340-S344 VanDerWaalsContact O-N 3.08Å; S340-S344 PolarHBondContact O-OG 3.35Å; S341-S344 WeakPolarHBondContact CA-OG 3.47Å; S341-S344 PolarHBondContact O-N 3.46Å; S341-S344 PolarHBondContact O-OG 3.5Å; S344-M346 VanDerWaalsContact C-N 3.27Å; S344-M346 PolarHBondContact O-N 3.02Å; S344-S347 PolarHBondContact O-N 3.36Å; S344-S347 PolarHBondContact O-OG 3.47Å
345	S	59.8	Low	69.3	Low	95 Å²	95	104.3 Å²	104.3	66%	0.664	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-12.2	179.5	56.1	0	0	0	0	114.8	S341 A342	S341-S345 PolarHBondContact O-N 2.86Å; S341-S345 VanDerWaalsContact O-N 3.13Å; S341-S345 PolarHBondContact O-OG 3.05Å; A342-S345 PolarHBondContact O-OG 3.18Å
346	M	51.6	Low	67.6	Low	161 Å²	161	110.5 Å²	110.5	79%	0.793	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	7.7	178.6	-69.7	-166.1	76	0	0	113.7	A342 S344 P348	A342-M346 WeakPolarHBondContact O-CG 3.39Å; S344-M346 VanDerWaalsContact C-N 3.27Å; S344-M346 PolarHBondContact O-N 3.02Å; M346-P348 WeakPolarHBondContact O-CD 3.37Å
347	S	39	Very low	65.7	Low	81 Å²	81	110.7 Å²	110.7	57%	0.566	62%	0.617	S	S	*	*	S	Bend	trans	-83.2	113.8	173.8	-34	0	0	0	0	108.6	S344 E349	S344-S347 PolarHBondContact O-N 3.36Å; S344-S347 PolarHBondContact O-OG 3.47Å; S347-E349 PolarHBondContact O-N 3.27Å
348	P	45.2	Very low	63.6	Low	119 Å²	119	113.7 Å²	113.7	77%	0.773	64%	0.638	S	S	*	*			trans	-66	128.1	172.3	26.3	-29.7	0	0	0	108.6	M346 K350	M346-P348 WeakPolarHBondContact O-CD 3.37Å; P348-K350 PolarHBondContact O-N 3.33Å
349	E	43.2	Very low	61.3	Low	195 Å²	195	115.5 Å²	115.5	91%	0.911	66%	0.656	S	S	*	*			trans	-50.4	126.8	162.7	-75.8	-179.9	151	0	0	108.1	S347	S347-E349 PolarHBondContact O-N 3.27Å
350	K	37.1	Very low	59	Low	278 Å²	278	115.5 Å²	115.5	100%	1.209	67%	0.67	S	S	*	*			trans	-75	0	179.2	-94.1	-173.2	175.9	-177.6	0	111.9	P348	P348-K350 PolarHBondContact O-N 3.33Å

Retrieved 350 of 350 residues in 145.1 ms (Link to these results)

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