A0A096NBB3_PAPAN Loading...

OTU deubiquitinase with linear linkage specificity

AlphaFold DB (A0A2K5WJB8), UniProt , Accession A0A096NBB3, Species PAPAN (Papio anubis, Olive baboon), Gene OTULIN, Length 352 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	35.3	Very low	33.7	Very low	240 Å²	240	146.2 Å²	146.2	100%	1.182	87%	0.869	S	S	*	*				0	116.9	0	-64.7	173.7	164.8	0	0	106.7
2	S	35.1	Very low	33.4	Very low	118 Å²	118	154.5 Å²	154.5	83%	0.825	87%	0.874	S	S	*	*			cis	-155.9	140.2	-17.7	-79.2	0	0	0	0	104.3
3	R	33.2	Very low	33.1	Very low	249 Å²	249	153 Å²	153	94%	0.94	87%	0.874	S	S	*	*	P	Polyproline II helix	trans	-66.8	131.7	178.2	-72.3	174.3	170.2	-176.4	-3.9	109.8
4	G	32.9	Very low	32.8	Very low	84 Å²	84	148.1 Å²	148.1	87%	0.866	87%	0.874	S	S	*	*	P	Polyproline II helix	trans	-88.7	118	172.5	0	0	0	0	0	110.9
5	T	34.4	Very low	32.5	Very low	138 Å²	138	145.1 Å²	145.1	85%	0.847	87%	0.873	S	S	*	*	P	Polyproline II helix	trans	-81	141	-176.8	-34.7	0	0	0	0	111.1
6	M	31.2	Very low	32.2	Very low	175 Å²	175	143.1 Å²	143.1	86%	0.862	87%	0.867	S	S	*	*	P	Polyproline II helix	trans	-71	150.7	169.7	-75.3	-154	178.7	0	0	112.2
7	P	35.5	Very low	31.9	Very low	130 Å²	130	142.4 Å²	142.4	84%	0.844	87%	0.868	S	S	*	*	P	Polyproline II helix	trans	-79.8	138.6	172	30.8	-30	0	0	0	112.2
8	Q	34.3	Very low	31.6	Very low	184 Å²	184	139.9 Å²	139.9	86%	0.86	87%	0.865	S	S	*	*	P	Polyproline II helix	trans	-83.2	148.1	175	-76.6	-89.5	-30.6	0	0	111.5
9	P	35.7	Very low	31.5	Very low	119 Å²	119	142.8 Å²	142.8	77%	0.773	87%	0.867	S	S	*	*	P	Polyproline II helix	trans	-75.3	142.1	174.9	-10.4	26.7	0	0	0	113.1
10	G	32.9	Very low	31.3	Very low	70 Å²	70	142.7 Å²	142.7	72%	0.722	87%	0.867	S	S	*	*	P	Polyproline II helix	trans	-68.5	146.2	177.6	0	0	0	0	0	114.1
11	A	30.2	Very low	31.1	Very low	101 Å²	101	140.5 Å²	140.5	84%	0.835	86%	0.864	S	S	*	*	P	Polyproline II helix	trans	-69.4	141.5	-175.7	0	0	0	0	0	114
12	W	30	Very low	30.8	Very low	246 Å²	246	133.6 Å²	133.6	93%	0.932	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-89.4	133.9	161.8	-74.1	37.8	0	0	0	109.1
13	P	29.5	Very low	30.4	Very low	135 Å²	135	139.8 Å²	139.8	88%	0.877	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-94.4	127.9	172.8	32.5	-26.1	0	0	0	110.8
14	G	28.8	Very low	30.2	Very low	84 Å²	84	137.1 Å²	137.1	87%	0.866	85%	0.848	S	S	*	*			trans	160.7	40.6	169.5	0	0	0	0	0	117.5
15	A	28.4	Very low	30	Very low	104 Å²	104	138 Å²	138	86%	0.86	85%	0.847	S	S	*	*			trans	-153.8	109.9	164.1	0	0	0	0	0	111.3
16	S	27.5	Very low	29.6	Very low	112 Å²	112	135.2 Å²	135.2	78%	0.783	85%	0.846	S	S	*	*			trans	-150.8	104.4	150.8	73.9	0	0	0	0	107.3
17	C	26.7	Very low	29.4	Very low	132 Å²	132	131.6 Å²	131.6	89%	0.892	84%	0.844	S	S	*	*				68.6	111.3	96.4	-73.3	0	0	0	0	114.2
18	A	27.6	Very low	29.1	Very low	97 Å²	97	130.4 Å²	130.4	80%	0.802	85%	0.845	S	S	*	*				-167.1	105.7	128.6	0	0	0	0	0	110.1
19	E	29.4	Very low	28.8	Very low	196 Å²	196	126.1 Å²	126.1	92%	0.916	84%	0.841	S	S	*	*			trans	-69.3	139.3	155.7	-74.8	175	135.4	0	0	109.1
20	T	27.3	Very low	28.5	Very low	140 Å²	140	128.2 Å²	128.2	86%	0.859	84%	0.841	S	S	*	*			trans	-150.1	116.1	152	-25.3	0	0	0	0	108.8
21	A	27.5	Very low	28.3	Very low	97 Å²	97	133 Å²	133	80%	0.802	84%	0.844	S	S	*	*			trans	-89.6	139.5	170.3	0	0	0	0	0	109.8
22	A	28.2	Very low	28	Very low	94 Å²	94	132.2 Å²	132.2	78%	0.777	85%	0.845	S	S	*	*			trans	174.8	129.8	131.7	0	0	0	0	0	113.8
23	R	27.7	Very low	27.9	Very low	248 Å²	248	124.4 Å²	124.4	94%	0.936	84%	0.841	S	S	*	*			trans	88.4	119.7	135.9	-84.3	-177.8	163.8	172.3	-4.1	121.8
24	E	29.4	Very low	27.9	Very low	194 Å²	194	128.5 Å²	128.5	91%	0.907	85%	0.845	S	S	*	*			trans	-52.4	144.7	156.7	-58.8	170.1	137.8	0	0	113.7
25	A	28.5	Very low	28	Very low	101 Å²	101	129.5 Å²	129.5	84%	0.835	85%	0.845	S	S	*	*			trans	-162.7	121.6	138.6	0	0	0	0	0	109
26	G	24.6	Very low	28	Very low	80 Å²	80	129.8 Å²	129.8	83%	0.825	85%	0.848	S	S	*	*			trans	-83	159.3	171.2	0	0	0	0	0	112.7
27	A	28	Very low	28.2	Very low	100 Å²	100	129.2 Å²	129.2	83%	0.826	85%	0.85	S	S	*	*			trans	178.9	124.9	140.2	0	0	0	0	0	111.7
28	A	28.7	Very low	28.3	Very low	104 Å²	104	129.1 Å²	129.1	86%	0.86	85%	0.851	S	S	*	*			trans	55.4	133	133.1	0	0	0	0	0	122.9
29	A	28.3	Very low	28.4	Very low	94 Å²	94	127.8 Å²	127.8	78%	0.777	85%	0.846	S	S	*	*			trans	-58.1	156.2	168.4	0	0	0	0	0	115
30	Q	29.2	Very low	28.6	Very low	164 Å²	164	128 Å²	128	77%	0.766	85%	0.847	S	S	*	*				-179.2	138.7	102.9	-130.6	175	-38.8	0	0	113.2
31	E	27.8	Very low	28.8	Very low	170 Å²	170	127 Å²	127	79%	0.794	84%	0.844	S	S	*	*			trans	47.2	128.4	144	-82.1	176.7	140.7	0	0	124.1
32	G	25.9	Very low	29.3	Very low	84 Å²	84	130.2 Å²	130.2	87%	0.866	85%	0.847	S	S	*	*				125.8	108.7	122.6	0	0	0	0	0	116.2
33	G	27.3	Very low	29.4	Very low	82 Å²	82	131.8 Å²	131.8	85%	0.845	85%	0.848	S	S	*	*			trans	158.4	80.7	161.4	0	0	0	0	0	115.8
34	K	28.8	Very low	29.7	Very low	221 Å²	221	127.7 Å²	127.7	96%	0.961	84%	0.84	S	S	*	*			trans	-72.9	126.8	161.1	-85.4	-178.6	173.3	178.3	0	109.5
35	A	30.8	Very low	30	Very low	105 Å²	105	127.1 Å²	127.1	87%	0.868	84%	0.84	S	S	*	*			trans	-143.5	118.5	151.9	0	0	0	0	0	108.7
36	A	28.5	Very low	30.1	Very low	110 Å²	110	129.8 Å²	129.8	91%	0.909	84%	0.835	S	S	*	*			trans	-82.6	130.2	175.8	0	0	0	0	0	109.7
37	A	32.5	Very low	30.4	Very low	100 Å²	100	131.3 Å²	131.3	83%	0.826	83%	0.831	S	S	*	*			trans	-145.4	116.9	157.6	0	0	0	0	0	108.6
38	S	28.8	Very low	30.8	Very low	130 Å²	130	132.5 Å²	132.5	91%	0.909	83%	0.831	S	S	*	*			trans	-65	131.7	-179.9	39.6	0	0	0	0	113.3
39	G	29.6	Very low	31.2	Very low	69 Å²	69	131.8 Å²	131.8	71%	0.711	83%	0.825	S	S	*	*			trans	-169.7	107.8	163	0	0	0	0	0	108.5	P41	G39-P41 WeakPolarHBondContact O-CD 3.4Å
40	Q	33.2	Very low	32.2	Very low	200 Å²	200	136.7 Å²	136.7	94%	0.935	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-70.2	132.8	-178.8	-66.8	175.5	-68	0	0	111.1
41	P	32.8	Very low	32.3	Very low	121 Å²	121	136.9 Å²	136.9	79%	0.786	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-94	141.5	153.9	-1.3	21.8	0	0	0	110.3	G39	G39-P41 WeakPolarHBondContact O-CD 3.4Å
42	L	36.3	Very low	33.3	Very low	164 Å²	164	138.4 Å²	138.4	86%	0.859	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-52.4	147.9	172.4	-71.6	138.8	0	0	0	111.5	E44	L42-E44 PolarHBondContact O-N 3.41Å
43	P	31.1	Very low	34	Very low	126 Å²	126	141.9 Å²	141.9	82%	0.818	83%	0.833	S	S	*	*			trans	-74.6	101.5	179.5	29.1	-30.2	0	0	0	110.3	M45	P43-M45 PolarHBondContact O-N 2.93Å
44	E	33.6	Very low	35	Very low	162 Å²	162	144 Å²	144	76%	0.757	83%	0.825	S	S	*	*			trans	-61.6	113.3	151.7	-79.4	180	167.7	0	0	107.6	L42 Q46	L42-E44 PolarHBondContact O-N 3.41Å; E44-Q46 HydrophobicContact CB-CG 4.48Å; E44-Q46 PolarHBondContact O-N 3.3Å
45	M	35.7	Very low	35.9	Very low	183 Å²	183	141.1 Å²	141.1	90%	0.901	82%	0.817	S	S	*	*			trans	-76	83.2	171.6	-161.6	148.3	89.3	0	0	108.1	P43 C47	P43-M45 PolarHBondContact O-N 2.93Å; M45-C47 PolarHBondContact O-N 2.94Å
46	Q	30.3	Very low	37	Very low	156 Å²	156	145.9 Å²	145.9	73%	0.729	81%	0.814	S	S	*	*			trans	-69.7	109.7	169.4	-73.1	173.9	-4.3	0	0	108.4	E44	E44-Q46 HydrophobicContact CB-CG 4.48Å; E44-Q46 PolarHBondContact O-N 3.3Å
47	C	32.4	Very low	38.7	Very low	112 Å²	112	144.4 Å²	144.4	76%	0.757	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-66.5	128.8	163.9	-68.4	0	0	0	0	108.3	M45	M45-C47 PolarHBondContact O-N 2.94Å
48	P	35	Very low	40.6	Very low	126 Å²	126	142.2 Å²	142.2	82%	0.818	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-66.8	150.5	177.5	-14.5	28.7	0	0	0	111.2
49	A	37.9	Very low	42.2	Very low	89 Å²	89	139.4 Å²	139.4	74%	0.736	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-47.3	147.4	-179.4	0	0	0	0	0	114.4	H51	A49-H51 PolarHBondContact O-N 2.77Å; A49-H51 VanDerWaalsContact O-N 3.08Å
50	E	47.8	Very low	43.6	Very low	196 Å²	196	141.6 Å²	141.6	92%	0.916	75%	0.747	S	S	*	*			trans	-37.4	103.5	174.7	-61.5	173.4	169.8	0	0	112.8
51	H	33.3	Very low	45.2	Very low	169 Å²	169	135.4 Å²	135.4	78%	0.782	72%	0.718	S	S	*	*			trans	-95.2	115.9	153.7	-96.7	-82.8	0	0	0	106.5	A49 E53	A49-H51 PolarHBondContact O-N 2.77Å; A49-H51 VanDerWaalsContact O-N 3.08Å; H51-E53 HydrophobicContact CB-CG 4.31Å; H51-E53 PolarHBondContact O-N 3.49Å
52	E	47.5	Very low	46.7	Very low	201 Å²	201	133.4 Å²	133.4	94%	0.939	70%	0.7	S	S	*	*			trans	-61.2	86.3	161.4	-74.2	-173.1	153.9	0	0	107.7
53	E	40.1	Very low	47.8	Very low	157 Å²	157	131.3 Å²	131.3	73%	0.734	69%	0.686	S	S	*	*			trans	-74.7	135.8	172.5	-74.3	-169.1	167	0	0	109.7	H51 M55	H51-E53 HydrophobicContact CB-CG 4.31Å; H51-E53 PolarHBondContact O-N 3.49Å; E53-M55 PolarHBondContact O-N 3.24Å
54	D	48.8	Very low	49.4	Very low	126 Å²	126	132 Å²	132	67%	0.674	68%	0.676	S	S	*	*			trans	-38.9	114.6	-178.6	-170	-9	0	0	0	114.1	Y56	D54-Y56 PolarHBondContact O-N 3.16Å; D54-Y56 WeakPolarHBondContact OD1-CB 3.43Å; D54-Y56 WeakPolarHBondContact OD1-CD2 3.38Å; D54-Y56 PolarHBondContact OD1-N 3.15Å; D54-Y56 VanDerWaalsContact OD1-N 3.08Å
55	M	47.3	Very low	50.8	Low	162 Å²	162	127.8 Å²	127.8	80%	0.798	66%	0.656	S	S	*	*			trans	-81.5	11.6	-178.4	-72	-80.3	-76.2	0	0	113.5	E53	E53-M55 PolarHBondContact O-N 3.24Å
56	Y	54.5	Low	51.6	Low	204 Å²	204	125.3 Å²	125.3	80%	0.8	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-79.6	122.5	174.5	-71.7	-64.7	0	0	0	111.7	D54	D54-Y56 PolarHBondContact O-N 3.16Å; D54-Y56 WeakPolarHBondContact OD1-CB 3.43Å; D54-Y56 WeakPolarHBondContact OD1-CD2 3.38Å; D54-Y56 PolarHBondContact OD1-N 3.15Å; D54-Y56 VanDerWaalsContact OD1-N 3.08Å
57	R	63.5	Low	52.6	Low	79 Å²	79	123.9 Å²	123.9	30%	0.298	63%	0.634	S	S	.	*	P	Polyproline II helix	trans	-57.1	138.6	172.5	-73	177.3	65	-164.3	-4	110.4	E61 I62 E65	R57-E61 WeakPolarHBondContact CG-OE2 3.38Å; R57-E61 IonicContact NE-OE2 3.35Å; R57-E61 PolarHBondContact NE-OE2 3.48Å; R57-E61 PolarHBondContact NH2-O 3.27Å; R57-I62 HydrophobicContact CB-CG1 4.49Å; R57-E65 IonicContact CZ-OE2 3.29Å; R57-E65 VanDerWaalsContact CZ-OE2 3.29Å; R57-E65 IonicContact NH1-OE2 2.89Å; R57-E65 PolarHBondContact NH1-OE2 2.93Å; R57-E65 IonicContact NH2-OE2 3.45Å; R57-E65 PolarHBondContact NH2-OE2 2.95Å
58	A	73.8	Confident	53.6	Low	55 Å²	55	123.6 Å²	123.6	46%	0.455	62%	0.624	S	S	.	*	P	Polyproline II helix	trans	-61.4	144.6	173.2	0	0	0	0	0	110.7	D60 E61	A58-D60 PolarHBondContact O-N 3.37Å; A58-D60 VanDerWaalsContact O-N 3.09Å; A58-E61 HydrophobicContact CB-CG 4.48Å; A58-E61 WeakPolarHBondContact O-CB 3.22Å; A58-E61 PolarHBondContact O-N 3.44Å
59	A	62.3	Low	54.4	Low	71 Å²	71	122.9 Å²	122.9	59%	0.587	61%	0.613	S	S	*	*	H	α-helix	trans	-52.9	-34.7	-179.2	0	0	0	0	0	112.7	E61 I62 E63	A59-E61 VanDerWaalsContact C-N 3.3Å; A59-E61 PolarHBondContact O-N 3.08Å; A59-I62 WeakPolarHBondContact O-CB 3.46Å; A59-I62 PolarHBondContact O-N 3.27Å; A59-I62 VanDerWaalsContact O-N 3.16Å; A59-E63 PolarHBondContact O-N 2.87Å
60	D	58.9	Low	54.8	Low	114 Å²	114	124.4 Å²	124.4	61%	0.61	61%	0.607	S	S	*	*	H	α-helix	trans	-65.9	-29	179.1	-54.8	-7.7	0	0	0	113.1	A58 K64	A58-D60 PolarHBondContact O-N 3.37Å; A58-D60 VanDerWaalsContact O-N 3.09Å; D60-K64 PolarHBondContact O-N 2.92Å; D60-K64 VanDerWaalsContact O-N 3.12Å
61	E	65.6	Low	54.5	Low	71 Å²	71	123.2 Å²	123.2	33%	0.332	60%	0.601	S	S	.	*	H	α-helix	trans	-73	-35.8	174.8	-65.2	-174.8	179.3	0	0	111.4	R57 A58 A59 E63 E65 K102	R57-E61 WeakPolarHBondContact CG-OE2 3.38Å; R57-E61 IonicContact NE-OE2 3.35Å; R57-E61 PolarHBondContact NE-OE2 3.48Å; R57-E61 PolarHBondContact NH2-O 3.27Å; A58-E61 HydrophobicContact CB-CG 4.48Å; A58-E61 WeakPolarHBondContact O-CB 3.22Å; A58-E61 PolarHBondContact O-N 3.44Å; A59-E61 VanDerWaalsContact C-N 3.3Å; A59-E61 PolarHBondContact O-N 3.08Å; E61-E63 VanDerWaalsContact C-N 3.35Å; E61-E65 PolarHBondContact O-N 3.17Å; E61-K102 IonicContact OE1-NZ 2.64Å
62	I	65.9	Low	55.1	Low	78 Å²	78	120.8 Å²	120.8	40%	0.4	59%	0.59	S	S	.	*	H	α-helix	trans	-70.6	-36.6	177.1	-60.9	170.8	0	0	0	109.9	R57 A59 K66	R57-I62 HydrophobicContact CB-CG1 4.49Å; A59-I62 WeakPolarHBondContact O-CB 3.46Å; A59-I62 PolarHBondContact O-N 3.27Å; A59-I62 VanDerWaalsContact O-N 3.16Å; I62-K66 WeakPolarHBondContact O-CG 3.45Å; I62-K66 PolarHBondContact O-N 2.97Å
63	E	58.6	Low	54.8	Low	120 Å²	120	121.3 Å²	121.3	56%	0.561	58%	0.584	S	S	*	*	H	α-helix	trans	-71.4	-41.7	179.5	-163.1	161.5	-150.4	0	0	112.2	A59 E61 E65 K66 E67	A59-E63 PolarHBondContact O-N 2.87Å; E61-E63 VanDerWaalsContact C-N 3.35Å; E63-E65 VanDerWaalsContact C-N 3.29Å; E63-E65 PolarHBondContact O-N 2.92Å; E63-K66 WeakPolarHBondContact O-CB 3.47Å; E63-K66 PolarHBondContact O-N 3.43Å; E63-K66 VanDerWaalsContact O-N 3.17Å; E63-E67 PolarHBondContact O-N 3.46Å
64	K	64.3	Low	54.7	Low	142 Å²	142	117.1 Å²	117.1	62%	0.617	58%	0.582	S	S	*	*	H	α-helix	trans	-60.2	-36.8	172.3	-84.6	178	177.5	170.2	0	113.5	D60 E67 L68	D60-K64 PolarHBondContact O-N 2.92Å; D60-K64 VanDerWaalsContact O-N 3.12Å; K64-E67 PolarHBondContact O-N 3.25Å; K64-L68 WeakPolarHBondContact O-CG 3.35Å; K64-L68 PolarHBondContact O-N 3.35Å
65	E	62.3	Low	54.2	Low	73 Å²	73	114.6 Å²	114.6	34%	0.341	58%	0.579	S	S	.	*	H	α-helix	trans	-67.6	-39.3	176.4	-167.3	178.2	163	0	0	111.5	R57 E61 E63 E67 L68 L69	R57-E65 IonicContact CZ-OE2 3.29Å; R57-E65 VanDerWaalsContact CZ-OE2 3.29Å; R57-E65 IonicContact NH1-OE2 2.89Å; R57-E65 PolarHBondContact NH1-OE2 2.93Å; R57-E65 IonicContact NH2-OE2 3.45Å; R57-E65 PolarHBondContact NH2-OE2 2.95Å; E61-E65 PolarHBondContact O-N 3.17Å; E63-E65 VanDerWaalsContact C-N 3.29Å; E63-E65 PolarHBondContact O-N 2.92Å; E65-E67 VanDerWaalsContact C-N 3.32Å; E65-E67 PolarHBondContact O-N 2.55Å; E65-L68 PolarHBondContact O-N 3.19Å; E65-L69 HydrophobicContact CG-CD1 4.44Å; E65-L69 WeakPolarHBondContact O-CB 3.2Å; E65-L69 VanDerWaalsContact O-CG 3.24Å; E65-L69 WeakPolarHBondContact O-CG 3.4Å; E65-L69 PolarHBondContact O-N 3.44Å
66	K	54.3	Low	54.2	Low	130 Å²	130	113.2 Å²	113.2	57%	0.565	59%	0.585	S	S	*	*	H	α-helix	trans	-61.5	-40.3	171.9	-72.8	175.9	179.4	176.1	0	111.9	I62 E63 L69 I70	I62-K66 WeakPolarHBondContact O-CG 3.45Å; I62-K66 PolarHBondContact O-N 2.97Å; E63-K66 WeakPolarHBondContact O-CB 3.47Å; E63-K66 PolarHBondContact O-N 3.43Å; E63-K66 VanDerWaalsContact O-N 3.17Å; K66-L69 PolarHBondContact O-N 2.78Å; K66-I70 WeakPolarHBondContact O-CD1 3.5Å; K66-I70 WeakPolarHBondContact O-CG1 3.31Å; K66-I70 PolarHBondContact O-N 2.95Å; K66-I70 VanDerWaalsContact O-N 3.09Å
67	E	50.4	Low	53.8	Low	126 Å²	126	110.9 Å²	110.9	59%	0.589	58%	0.582	S	S	*	*	H	α-helix	trans	-65.7	-40.9	176.2	-72.6	-174.4	156.4	0	0	112.5	E63 K64 E65 I70 H71	E63-E67 PolarHBondContact O-N 3.46Å; K64-E67 PolarHBondContact O-N 3.25Å; E65-E67 VanDerWaalsContact C-N 3.32Å; E65-E67 PolarHBondContact O-N 2.55Å; E67-I70 PolarHBondContact O-N 2.66Å; E67-H71 PolarHBondContact O-N 3.38Å
68	L	54.1	Low	53.4	Low	107 Å²	107	111.8 Å²	111.8	56%	0.56	60%	0.598	S	S	*	*	H	α-helix	trans	-62.4	-43.3	174.2	-72	168.3	0	0	0	111.9	K64 E65 I70 H71 E72	K64-L68 WeakPolarHBondContact O-CG 3.35Å; K64-L68 PolarHBondContact O-N 3.35Å; E65-L68 PolarHBondContact O-N 3.19Å; L68-I70 PolarHBondContact O-N 3.06Å; L68-H71 PolarHBondContact O-N 3.1Å; L68-E72 WeakPolarHBondContact O-CG 3.26Å; L68-E72 PolarHBondContact O-N 2.98Å; L68-E72 VanDerWaalsContact O-N 3.13Å
69	L	50.3	Low	53.7	Low	110 Å²	110	115.2 Å²	115.2	58%	0.576	60%	0.599	S	S	*	*	H	α-helix	trans	-62.5	-29.7	175.8	-72.2	167.2	0	0	0	112.8	E65 K66	E65-L69 HydrophobicContact CG-CD1 4.44Å; E65-L69 WeakPolarHBondContact O-CB 3.2Å; E65-L69 VanDerWaalsContact O-CG 3.24Å; E65-L69 WeakPolarHBondContact O-CG 3.4Å; E65-L69 PolarHBondContact O-N 3.44Å; K66-L69 PolarHBondContact O-N 2.78Å
70	I	46.7	Very low	55.2	Low	121 Å²	121	114.8 Å²	114.8	62%	0.621	59%	0.586	S	S	*	*	H	α-helix	trans	-79.9	-38.3	177.1	-67.3	163.2	0	0	0	111.1	K66 E67 L68 E72 R73	K66-I70 WeakPolarHBondContact O-CD1 3.5Å; K66-I70 WeakPolarHBondContact O-CG1 3.31Å; K66-I70 PolarHBondContact O-N 2.95Å; K66-I70 VanDerWaalsContact O-N 3.09Å; E67-I70 PolarHBondContact O-N 2.66Å; L68-I70 PolarHBondContact O-N 3.06Å; I70-E72 VanDerWaalsContact C-N 3.33Å; I70-E72 PolarHBondContact O-N 2.88Å; I70-R73 VanDerWaalsContact O-CB 3.25Å; I70-R73 WeakPolarHBondContact O-CB 3.32Å; I70-R73 PolarHBondContact O-N 3.37Å
71	H	42.1	Very low	57	Low	171 Å²	171	109.5 Å²	109.5	79%	0.792	56%	0.558	S	S	*	*	H	α-helix	trans	-70.5	-27.6	179.7	-133.1	58.9	0	0	0	113	E67 L68 R73	E67-H71 PolarHBondContact O-N 3.38Å; L68-H71 PolarHBondContact O-N 3.1Å; H71-R73 PolarHBondContact O-N 2.94Å
72	E	45.2	Very low	58.6	Low	118 Å²	118	106.1 Å²	106.1	55%	0.551	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-5.4	172.6	-74.7	-178	172.2	0	0	114.1	L68 I70 G74 R79	L68-E72 WeakPolarHBondContact O-CG 3.26Å; L68-E72 PolarHBondContact O-N 2.98Å; L68-E72 VanDerWaalsContact O-N 3.13Å; I70-E72 VanDerWaalsContact C-N 3.33Å; I70-E72 PolarHBondContact O-N 2.88Å; E72-G74 VanDerWaalsContact C-N 3.25Å; E72-G74 PolarHBondContact O-N 2.94Å; E72-R79 PolarHBondContact O-NH2 2.94Å
73	R	41.2	Very low	60	Low	213 Å²	213	103.3 Å²	103.3	80%	0.804	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-4.5	-178.2	-151	172.4	-150.7	-109.8	1.3	114.5	I70 H71	I70-R73 VanDerWaalsContact O-CB 3.25Å; I70-R73 WeakPolarHBondContact O-CB 3.32Å; I70-R73 PolarHBondContact O-N 3.37Å; H71-R73 PolarHBondContact O-N 2.94Å
74	G	39.1	Very low	61.8	Low	68 Å²	68	101.8 Å²	101.8	70%	0.701	53%	0.532	S	S	*	.	S	Bend	trans	-130.9	75.2	-176.1	0	0	0	0	0	114.8	E72	E72-G74 VanDerWaalsContact C-N 3.25Å; E72-G74 PolarHBondContact O-N 2.94Å
75	A	37.3	Very low	63.3	Low	73 Å²	73	99 Å²	99	60%	0.603	52%	0.521	S	S	*	.			trans	-171	138.9	151.5	0	0	0	0	0	110.1	E77	A75-E77 PolarHBondContact O-N 3.13Å; A75-E77 VanDerWaalsContact O-N 3.14Å
76	S	48	Very low	65	Low	133 Å²	133	98.7 Å²	98.7	93%	0.93	52%	0.52	S	S	*	.			trans	-83.6	42.2	-178	62.4	0	0	0	0	113.3
77	E	46.5	Very low	67	Low	155 Å²	155	95.7 Å²	95.7	72%	0.724	51%	0.51	S	S	*	.	S	Bend	trans	-97.8	146.1	170	-73.1	-176.4	166.6	0	0	109.5	A75 R79	A75-E77 PolarHBondContact O-N 3.13Å; A75-E77 VanDerWaalsContact O-N 3.14Å; E77-R79 PolarHBondContact O-N 2.89Å; E77-R79 VanDerWaalsContact O-N 3.08Å
78	P	53.6	Low	69.3	Low	98 Å²	98	89.7 Å²	89.7	64%	0.636	48%	0.483	S	S	*	.			trans	-55.1	120.5	170.5	22.2	-30.3	0	0	0	108.4	L80 T220	P78-L80 VanDerWaalsContact C-N 3.26Å; P78-L80 PolarHBondContact O-N 3.04Å; P78-T220 HydrophobicContact CB-CG2 4.42Å
79	R	80.8	Confident	71.4	Confident	128 Å²	128	87.8 Å²	87.8	48%	0.483	47%	0.471	S	S	.	.			trans	-74.1	83.8	-177.1	-72	-176.5	178.4	165.7	-2	109.1	E72 E77 S81 T220 N221	E72-R79 PolarHBondContact O-NH2 2.94Å; E77-R79 PolarHBondContact O-N 2.89Å; E77-R79 VanDerWaalsContact O-N 3.08Å; R79-S81 PolarHBondContact O-N 3.45Å; R79-S81 VanDerWaalsContact O-N 3.14Å; R79-T220 CarbonylContact O-C 3.37Å; R79-N221 WeakPolarHBondContact O-CB 3.33Å
80	L	93.8	Very high	73.7	Confident	61 Å²	61	87.6 Å²	87.6	32%	0.319	47%	0.471	S	S	.	.			trans	-47.1	121.9	171.5	-66.7	176.3	0	0	0	109.2	P78 V82 P84 D216 F219 T220	P78-L80 VanDerWaalsContact C-N 3.26Å; P78-L80 PolarHBondContact O-N 3.04Å; L80-V82 PolarHBondContact O-N 2.77Å; L80-P84 HydrophobicContact CD1-CG 4.06Å; L80-D216 HydrophobicContact CD2-CB 4.17Å; L80-D216 WeakPolarHBondContact CD2-O 3.32Å; L80-F219 WeakPolarHBondContact CA-O 3.3Å; L80-T220 HydrophobicContact CD2-CG2 4.28Å
81	S	97	Very high	76.1	Confident	3 Å²	3	82.4 Å²	82.4	2%	0.021	44%	0.444	C	S	.	.	S	Bend	trans	-79.2	-11.9	176.6	69	0	0	0	0	111.8	R79 R124 R132 F219 E225	R79-S81 PolarHBondContact O-N 3.45Å; R79-S81 VanDerWaalsContact O-N 3.14Å; S81-R124 VanDerWaalsContact O-CB 3.26Å; S81-R124 WeakPolarHBondContact O-CB 3.48Å; S81-R124 PolarHBondContact O-N 2.96Å; S81-R132 WeakPolarHBondContact O-CD 3.29Å; S81-R132 WeakPolarHBondContact OG-CD 3.33Å; S81-R132 PolarHBondContact OG-NE 3.45Å; S81-F219 PolarHBondContact N-O 3.37Å; S81-F219 PolarHBondContact OG-O 3.1Å; S81-E225 WeakPolarHBondContact CB-OE1 3.31Å; S81-E225 VanDerWaalsContact CB-OE2 3.27Å; S81-E225 WeakPolarHBondContact CB-OE2 3.5Å; S81-E225 PolarHBondContact OG-OE1 3.2Å; S81-E225 VanDerWaalsContact OG-OE1 3.06Å; S81-E225 PolarHBondContact OG-OE2 3.5Å
82	V	98.2	Very high	78.7	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	41%	0.407	C	S	.	.	B	Isolated β-bridge	trans	-122.6	107.1	166.1	-177.7	0	0	0	0	108.2	L80 R121 V123 R132 F136 I342	L80-V82 PolarHBondContact O-N 2.77Å; V82-R121 HydrophobicContact CG1-CB 3.82Å; V82-R121 PolarHBondContact O-NH2 3.14Å; V82-V123 HydrophobicContact CG2-CG1 4.37Å; V82-V123 HydrophobicContact CG2-CG2 4.45Å; V82-R132 HydrophobicContact CG2-CG 3.82Å; V82-F136 HydrophobicContact CB-CD2 3.88Å; V82-F136 HydrophobicContact CB-CE2 3.76Å; V82-F136 HydrophobicContact CB-CG 4.35Å; V82-F136 HydrophobicContact CB-CZ 4.11Å; V82-F136 HydrophobicContact CG1-CD1 4.15Å; V82-F136 HydrophobicContact CG1-CD2 4.2Å; V82-F136 HydrophobicContact CG1-CE1 3.96Å; V82-F136 HydrophobicContact CG1-CE2 4.02Å; V82-F136 HydrophobicContact CG1-CG 4.25Å; V82-F136 HydrophobicContact CG1-CZ 3.87Å; V82-F136 HydrophobicContact CG2-CB 4.22Å; V82-F136 HydrophobicContact CG2-CD2 3.56Å; V82-F136 HydrophobicContact CG2-CE2 3.99Å; V82-F136 HydrophobicContact CG2-CG 3.88Å; V82-I342 HydrophobicContact CG1-CD1 4.1Å
83	A	96.9	Very high	81.1	Confident	20 Å²	20	76.6 Å²	76.6	17%	0.165	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-60.8	155.6	-174.1	0	0	0	0	0	112.1	R121 R122	A83-R121 WeakPolarHBondContact O-CB 3.46Å; A83-R121 PolarHBondContact O-NE 2.82Å; A83-R121 PolarHBondContact O-NH2 3.26Å; A83-R122 HydrophobicContact CB-CB 4.13Å; A83-R122 PolarHBondContact N-O 3.01Å
84	P	96.4	Very high	83.7	Confident	87 Å²	87	71.6 Å²	71.6	57%	0.565	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-52.3	155.5	172.4	-26.6	35.6	0	0	0	113	L80	L80-P84 HydrophobicContact CD1-CG 4.06Å
85	E	95.4	Very high	86.4	Confident	85 Å²	85	72.2 Å²	72.2	40%	0.397	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-65.1	143.2	179	69	-178.1	-179.5	0	0	112.2	I120 R121 V344 R345	E85-I120 WeakPolarHBondContact CA-O 3.35Å; E85-R121 HydrophobicContact CB-CG 4Å; E85-V344 HydrophobicContact CB-CG2 4.05Å; E85-R345 IonicContact OE1-CZ 2.93Å; E85-R345 IonicContact OE1-NE 2.81Å; E85-R345 PolarHBondContact OE1-NE 3Å; E85-R345 IonicContact OE1-NH2 3.77Å; E85-R345 PolarHBondContact OE1-NH2 3.33Å; E85-R345 IonicContact OE2-CZ 2.72Å; E85-R345 IonicContact OE2-NE 3.49Å; E85-R345 PolarHBondContact OE2-NE 2.99Å; E85-R345 IonicContact OE2-NH2 2.74Å; E85-R345 PolarHBondContact OE2-NH2 3.46Å
86	M	96.8	Very high	89.1	Confident	65 Å²	65	70.4 Å²	70.4	32%	0.32	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	158.9	170.7	61	-179.1	14.7	0	0	110.1	I88 Y91 S119 I120	M86-I88 PolarHBondContact O-N 2.92Å; M86-Y91 HydrophobicContact SD-CD2 3.86Å; M86-Y91 HydrophobicContact SD-CG 4.34Å; M86-S119 CarbonylContact O-C 3.54Å; M86-S119 VanDerWaalsContact O-CA 3.23Å; M86-S119 WeakPolarHBondContact O-CA 3.43Å; M86-S119 WeakPolarHBondContact O-CB 3.23Å; M86-I120 HydrophobicContact CG-CG2 3.89Å; M86-I120 PolarHBondContact N-O 2.97Å; M86-I120 PolarHBondContact O-N 2.93Å
87	D	98.1	Very high	91.3	Very high	67 Å²	67	72.6 Å²	72.6	36%	0.358	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	134.2	175.5	177.1	-82.3	0	0	0	110.7	M89 D90 Y91	D87-M89 VanDerWaalsContact C-N 3.31Å; D87-M89 PolarHBondContact O-N 2.74Å; D87-M89 WeakPolarHBondContact OD1-CA 3.41Å; D87-M89 WeakPolarHBondContact OD1-CB 3.25Å; D87-M89 PolarHBondContact OD1-N 3.04Å; D87-D90 HydrophobicContact CB-CB 4Å; D87-D90 PolarHBondContact O-N 2.89Å; D87-D90 PolarHBondContact OD1-N 3.16Å; D87-Y91 PolarHBondContact O-N 3.34Å
88	I	98	Very high	93.5	Very high	1 Å²	1	67.3 Å²	67.3	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-67.8	-33.1	-172.9	-164.7	167.9	0	0	0	112.3	M86 C92 Y110 V113 T118 I120 I333	M86-I88 PolarHBondContact O-N 2.92Å; I88-C92 WeakPolarHBondContact O-CB 3.49Å; I88-C92 PolarHBondContact O-N 3.19Å; I88-Y110 HydrophobicContact CD1-CD1 3.96Å; I88-Y110 HydrophobicContact CD1-CE1 4.43Å; I88-Y110 HydrophobicContact CG1-CD1 3.72Å; I88-Y110 HydrophobicContact CG1-CE1 4.23Å; I88-V113 HydrophobicContact CD1-CB 3.85Å; I88-V113 HydrophobicContact CD1-CG1 3.39Å; I88-T118 WeakPolarHBondContact CG2-O 3.32Å; I88-T118 PolarHBondContact N-O 3.23Å; I88-I120 HydrophobicContact CB-CB 4.42Å; I88-I120 HydrophobicContact CB-CG2 4.44Å; I88-I120 HydrophobicContact CG1-CB 4.13Å; I88-I120 HydrophobicContact CG1-CG2 4.35Å; I88-I333 HydrophobicContact CD1-CD1 4.06Å
89	M	97.9	Very high	95.4	Very high	66 Å²	66	69.8 Å²	69.8	33%	0.325	34%	0.344	S	S	.	.	H	α-helix	trans	-80.3	-33.8	-179.9	-63.5	-52.5	-65	0	0	111.3	D87 C92 K93 E111	D87-M89 VanDerWaalsContact C-N 3.31Å; D87-M89 PolarHBondContact O-N 2.74Å; D87-M89 WeakPolarHBondContact OD1-CA 3.41Å; D87-M89 WeakPolarHBondContact OD1-CB 3.25Å; D87-M89 PolarHBondContact OD1-N 3.04Å; M89-C92 PolarHBondContact O-N 3.24Å; M89-K93 VanDerWaalsContact O-CB 3.29Å; M89-K93 WeakPolarHBondContact O-CB 3.37Å; M89-K93 PolarHBondContact O-N 3.48Å; M89-E111 HydrophobicContact CE-CG 3.72Å
90	D	97.9	Very high	96.1	Very high	106 Å²	106	67.9 Å²	67.9	57%	0.567	35%	0.346	S	S	*	.	H	α-helix	trans	-63.6	-42.5	169.5	-77.9	-22.2	0	0	0	111.7	D87 K93 K94	D87-D90 HydrophobicContact CB-CB 4Å; D87-D90 PolarHBondContact O-N 2.89Å; D87-D90 PolarHBondContact OD1-N 3.16Å; D90-K93 PolarHBondContact O-N 3.08Å; D90-K94 WeakPolarHBondContact O-CB 3.41Å; D90-K94 PolarHBondContact O-N 3.42Å
91	Y	97.6	Very high	96.1	Very high	13 Å²	13	73 Å²	73	5%	0.051	37%	0.369	C	S	.	.	H	α-helix	trans	-57.9	-53.2	172.1	171.5	-100.1	0	0	0	111.3	M86 D87 K93 K94 E95 Y110 I120 R122 E335 N341	M86-Y91 HydrophobicContact SD-CD2 3.86Å; M86-Y91 HydrophobicContact SD-CG 4.34Å; D87-Y91 PolarHBondContact O-N 3.34Å; Y91-K93 VanDerWaalsContact C-N 3.34Å; Y91-K93 PolarHBondContact O-N 3.46Å; Y91-K94 WeakPolarHBondContact O-CB 3.47Å; Y91-K94 PolarHBondContact O-N 3.21Å; Y91-K94 VanDerWaalsContact O-N 3.07Å; Y91-E95 HydrophobicContact CD2-CG 3.86Å; Y91-E95 HydrophobicContact CE1-CG 4.28Å; Y91-E95 HydrophobicContact CE2-CB 4.49Å; Y91-E95 HydrophobicContact CE2-CG 3.31Å; Y91-E95 PolarHBondContact O-N 3.09Å; Y91-Y110 HydrophobicContact CD1-CE1 4.09Å; Y91-Y110 HydrophobicContact CD1-CE2 4.46Å; Y91-Y110 AromaticContact CD1-CZ 3.99Å; Y91-Y110 HydrophobicContact CE1-CE1 4.06Å; Y91-Y110 HydrophobicContact CE1-CE2 4.07Å; Y91-Y110 AromaticContact CE1-CZ 3.56Å; Y91-Y110 WeakPolarHBondContact CE1-OH 3.49Å; Y91-I120 HydrophobicContact CD1-CD1 3.81Å; Y91-I120 HydrophobicContact CD1-CG2 4.16Å; Y91-I120 HydrophobicContact CE1-CD1 3.88Å; Y91-I120 HydrophobicContact CG-CD1 4.41Å; Y91-I120 HydrophobicContact CG-CG2 3.84Å; Y91-R122 HydrophobicContact CD2-CG 4.03Å; Y91-R122 HydrophobicContact CE2-CG 3.67Å; Y91-E335 PolarHBondContact OH-OE1 2.88Å; Y91-N341 PolarHBondContact OH-ND2 3.26Å
92	C	97.1	Very high	96	Very high	4 Å²	4	77.6 Å²	77.6	3%	0.027	39%	0.388	C	S	.	.	H	α-helix	trans	-54.4	-48.5	178.2	172.9	0	0	0	0	111.9	I88 M89 K94 E95 W96 Y110	I88-C92 WeakPolarHBondContact O-CB 3.49Å; I88-C92 PolarHBondContact O-N 3.19Å; M89-C92 PolarHBondContact O-N 3.24Å; C92-K94 VanDerWaalsContact C-N 3.26Å; C92-K94 PolarHBondContact O-N 3.01Å; C92-E95 PolarHBondContact O-N 3.15Å; C92-W96 WeakPolarHBondContact O-CA 3.13Å; C92-W96 WeakPolarHBondContact O-CB 3.36Å; C92-W96 PolarHBondContact O-N 3.39Å; C92-Y110 HydrophobicContact CB-CD2 3.96Å; C92-Y110 HydrophobicContact CB-CG 3.9Å
93	K	96	Very high	95.8	Very high	162 Å²	162	77.7 Å²	77.7	70%	0.704	39%	0.389	S	S	*	.	H	α-helix	trans	-62.2	-34.1	178.9	-176.2	179.4	179.2	-178.2	0	112.5	M89 D90 Y91	M89-K93 VanDerWaalsContact O-CB 3.29Å; M89-K93 WeakPolarHBondContact O-CB 3.37Å; M89-K93 PolarHBondContact O-N 3.48Å; D90-K93 PolarHBondContact O-N 3.08Å; Y91-K93 VanDerWaalsContact C-N 3.34Å; Y91-K93 PolarHBondContact O-N 3.46Å
94	K	95.8	Very high	95.8	Very high	108 Å²	108	79.4 Å²	79.4	47%	0.47	40%	0.397	S	S	.	.	H	α-helix	trans	-73.9	-48.7	180	-176.1	-178.1	173.4	-174.4	0	112	D90 Y91 C92 R97	D90-K94 WeakPolarHBondContact O-CB 3.41Å; D90-K94 PolarHBondContact O-N 3.42Å; Y91-K94 WeakPolarHBondContact O-CB 3.47Å; Y91-K94 PolarHBondContact O-N 3.21Å; Y91-K94 VanDerWaalsContact O-N 3.07Å; C92-K94 VanDerWaalsContact C-N 3.26Å; C92-K94 PolarHBondContact O-N 3.01Å; K94-R97 PolarHBondContact O-NE 2.99Å; K94-R97 PolarHBondContact O-NH2 3.19Å
95	E	94.7	Very high	95.8	Very high	81 Å²	81	76.8 Å²	76.8	38%	0.379	38%	0.381	S	S	.	.	H	α-helix	trans	-81.5	-48.5	-174.9	-63.8	-55.6	149.2	0	0	112.2	Y91 C92 R97	Y91-E95 HydrophobicContact CD2-CG 3.86Å; Y91-E95 HydrophobicContact CE1-CG 4.28Å; Y91-E95 HydrophobicContact CE2-CB 4.49Å; Y91-E95 HydrophobicContact CE2-CG 3.31Å; Y91-E95 PolarHBondContact O-N 3.09Å; C92-E95 PolarHBondContact O-N 3.15Å; E95-R97 PolarHBondContact O-N 3.12Å
96	W	95.1	Very high	95.9	Very high	36 Å²	36	73 Å²	73	14%	0.136	36%	0.363	C	S	.	.	S	Bend	trans	-96.2	79.3	-173.3	-64.7	103.8	0	0	0	111.6	C92 K102 A103 M106 K107 Y110 E335	C92-W96 WeakPolarHBondContact O-CA 3.13Å; C92-W96 WeakPolarHBondContact O-CB 3.36Å; C92-W96 PolarHBondContact O-N 3.39Å; W96-K102 HydrophobicContact CH2-CD 4.43Å; W96-K102 HydrophobicContact CH2-CG 4.41Å; W96-K102 HydrophobicContact CZ3-CD 4.15Å; W96-K102 HydrophobicContact CZ3-CG 3.97Å; W96-A103 HydrophobicContact CE3-CB 4.31Å; W96-M106 HydrophobicContact CB-CB 4.41Å; W96-M106 HydrophobicContact CD2-CB 3.46Å; W96-M106 VanDerWaalsContact CD2-CB 3.46Å; W96-M106 HydrophobicContact CD2-CG 3.62Å; W96-M106 VanDerWaalsContact CE2-CG 3.48Å; W96-M106 HydrophobicContact CE3-CB 3.96Å; W96-M106 HydrophobicContact CE3-CG 3.79Å; W96-M106 HydrophobicContact CG-CB 3.65Å; W96-M106 HydrophobicContact CG-CG 4.34Å; W96-M106 HydrophobicContact CH2-CE 4.25Å; W96-M106 HydrophobicContact CH2-CG 3.72Å; W96-M106 HydrophobicContact CH2-SD 4.39Å; W96-M106 HydrophobicContact CZ2-CB 4.21Å; W96-M106 HydrophobicContact CZ2-CE 4.26Å; W96-M106 HydrophobicContact CZ2-CG 3.54Å; W96-M106 HydrophobicContact CZ2-SD 3.93Å; W96-M106 HydrophobicContact CZ3-CG 3.84Å; W96-K107 HydrophobicContact CB-CG 4.34Å; W96-K107 WeakPolarHBondContact O-CE 3.39Å; W96-Y110 AromaticContact CD1-CE2 3.73Å; W96-Y110 AromaticContact NE1-CE2 3.63Å; W96-E335 HydrophobicContact CZ2-CB 4.44Å; W96-E335 HydrophobicContact CZ2-CG 4.4Å; W96-E335 WeakPolarHBondContact CZ2-OE2 3.42Å; W96-E335 PolarHBondContact NE1-OE1 3.2Å
97	R	92.8	Very high	95.9	Very high	179 Å²	179	72.5 Å²	72.5	68%	0.675	36%	0.359	S	S	*	.			trans	-92.6	159.9	178.9	-58.7	-175.8	-167.7	-174.3	1.7	112.8	K94 E95	K94-R97 PolarHBondContact O-NE 2.99Å; K94-R97 PolarHBondContact O-NH2 3.19Å; E95-R97 PolarHBondContact O-N 3.12Å
98	G	93.1	Very high	95.9	Very high	43 Å²	43	73.3 Å²	73.3	44%	0.443	36%	0.36	S	S	.	.	S	Bend	trans	77.5	-169.3	177.3	0	0	0	0	0	113.9	K107	G98-K107 PolarHBondContact O-NZ 2.82Å
99	N	94.3	Very high	95.9	Very high	151 Å²	151	73.2 Å²	73.2	81%	0.807	36%	0.359	S	S	*	.	S	Bend	trans	-122.6	24.9	-169.4	-61.3	-22.5	0	0	0	112.6
100	T	95.9	Very high	96	Very high	88 Å²	88	70.1 Å²	70.1	54%	0.54	34%	0.344	S	S	.	.			trans	-64.7	157.2	173	64.7	0	0	0	0	109.8	K102 A103 T104	T100-K102 VanDerWaalsContact C-N 3.31Å; T100-K102 PolarHBondContact O-N 2.9Å; T100-A103 PolarHBondContact O-N 3.15Å; T100-A103 VanDerWaalsContact OG1-CB 3.24Å; T100-A103 WeakPolarHBondContact OG1-CB 3.35Å; T100-A103 PolarHBondContact OG1-N 3.2Å; T100-A103 VanDerWaalsContact OG1-N 3.11Å; T100-T104 WeakPolarHBondContact O-CB 3.26Å; T100-T104 PolarHBondContact O-N 3.46Å; T100-T104 PolarHBondContact O-OG1 3.33Å
101	Q	94.1	Very high	96	Very high	169 Å²	169	69.5 Å²	69.5	79%	0.79	34%	0.338	S	S	*	.	H	α-helix	trans	-59.4	-44.3	176.7	-69.3	-177	-1.9	0	0	111.1	A103 T104 C105	Q101-A103 PolarHBondContact O-N 2.8Å; Q101-T104 PolarHBondContact O-N 3.31Å; Q101-C105 VanDerWaalsContact O-CB 3.32Å; Q101-C105 WeakPolarHBondContact O-CB 3.45Å; Q101-C105 PolarHBondContact O-N 3.39Å
102	K	93.6	Very high	96	Very high	99 Å²	99	71.9 Å²	71.9	43%	0.43	35%	0.349	S	S	.	.	H	α-helix	trans	-56.9	-49.5	174.4	-171.3	179.4	-179.8	-172.9	0	112.2	E61 W96 T100 T104 C105 M106	E61-K102 IonicContact OE1-NZ 2.64Å; W96-K102 HydrophobicContact CH2-CD 4.43Å; W96-K102 HydrophobicContact CH2-CG 4.41Å; W96-K102 HydrophobicContact CZ3-CD 4.15Å; W96-K102 HydrophobicContact CZ3-CG 3.97Å; T100-K102 VanDerWaalsContact C-N 3.31Å; T100-K102 PolarHBondContact O-N 2.9Å; K102-T104 VanDerWaalsContact C-N 3.31Å; K102-T104 PolarHBondContact O-N 3.31Å; K102-C105 WeakPolarHBondContact O-CB 3.29Å; K102-C105 PolarHBondContact O-N 3.13Å; K102-M106 VanDerWaalsContact O-CG 3.28Å; K102-M106 WeakPolarHBondContact O-CG 3.49Å; K102-M106 PolarHBondContact O-N 2.95Å
103	A	95.1	Very high	96	Very high	2 Å²	2	71.7 Å²	71.7	2%	0.017	35%	0.348	C	S	.	.	H	α-helix	trans	-64.1	-36.9	178.3	0	0	0	0	0	112.4	W96 T100 Q101 K107	W96-A103 HydrophobicContact CE3-CB 4.31Å; T100-A103 PolarHBondContact O-N 3.15Å; T100-A103 VanDerWaalsContact OG1-CB 3.24Å; T100-A103 WeakPolarHBondContact OG1-CB 3.35Å; T100-A103 PolarHBondContact OG1-N 3.2Å; T100-A103 VanDerWaalsContact OG1-N 3.11Å; Q101-A103 PolarHBondContact O-N 2.8Å; A103-K107 WeakPolarHBondContact O-CB 3.48Å; A103-K107 WeakPolarHBondContact O-CD 3.44Å; A103-K107 WeakPolarHBondContact O-CG 3.46Å; A103-K107 PolarHBondContact O-N 3.1Å
104	T	96.3	Very high	96	Very high	55 Å²	55	65.8 Å²	65.8	34%	0.337	33%	0.327	S	S	.	.	H	α-helix	trans	-66.5	-42.8	176	-54.9	0	0	0	0	111.4	T100 Q101 K102 K107 K108	T100-T104 WeakPolarHBondContact O-CB 3.26Å; T100-T104 PolarHBondContact O-N 3.46Å; T100-T104 PolarHBondContact O-OG1 3.33Å; Q101-T104 PolarHBondContact O-N 3.31Å; K102-T104 VanDerWaalsContact C-N 3.31Å; K102-T104 PolarHBondContact O-N 3.31Å; T104-K107 PolarHBondContact O-N 3.17Å; T104-K108 WeakPolarHBondContact O-CG 3.42Å; T104-K108 PolarHBondContact O-N 2.85Å; T104-K108 VanDerWaalsContact O-N 3.13Å
105	C	95.9	Very high	96.1	Very high	33 Å²	33	66.5 Å²	66.5	22%	0.223	33%	0.332	C	S	.	.	H	α-helix	trans	-59.2	-50.2	175.5	-174.7	0	0	0	0	111.3	Q101 K102 K107 K108 G109 L307	Q101-C105 VanDerWaalsContact O-CB 3.32Å; Q101-C105 WeakPolarHBondContact O-CB 3.45Å; Q101-C105 PolarHBondContact O-N 3.39Å; K102-C105 WeakPolarHBondContact O-CB 3.29Å; K102-C105 PolarHBondContact O-N 3.13Å; C105-K107 PolarHBondContact O-N 3.13Å; C105-K108 PolarHBondContact O-N 3.31Å; C105-G109 PolarHBondContact O-N 2.89Å; C105-L307 PolarHBondContact SG-O 3.26Å
106	M	97.6	Very high	96.1	Very high	5 Å²	5	67.5 Å²	67.5	3%	0.025	34%	0.335	C	S	.	.	H	α-helix	trans	-62.4	-43.6	178.7	-65.8	-65.8	170.9	0	0	112.5	W96 K102 K108 G109 Y110 L307 E335	W96-M106 HydrophobicContact CB-CB 4.41Å; W96-M106 HydrophobicContact CD2-CB 3.46Å; W96-M106 VanDerWaalsContact CD2-CB 3.46Å; W96-M106 HydrophobicContact CD2-CG 3.62Å; W96-M106 VanDerWaalsContact CE2-CG 3.48Å; W96-M106 HydrophobicContact CE3-CB 3.96Å; W96-M106 HydrophobicContact CE3-CG 3.79Å; W96-M106 HydrophobicContact CG-CB 3.65Å; W96-M106 HydrophobicContact CG-CG 4.34Å; W96-M106 HydrophobicContact CH2-CE 4.25Å; W96-M106 HydrophobicContact CH2-CG 3.72Å; W96-M106 HydrophobicContact CH2-SD 4.39Å; W96-M106 HydrophobicContact CZ2-CB 4.21Å; W96-M106 HydrophobicContact CZ2-CE 4.26Å; W96-M106 HydrophobicContact CZ2-CG 3.54Å; W96-M106 HydrophobicContact CZ2-SD 3.93Å; W96-M106 HydrophobicContact CZ3-CG 3.84Å; K102-M106 VanDerWaalsContact O-CG 3.28Å; K102-M106 WeakPolarHBondContact O-CG 3.49Å; K102-M106 PolarHBondContact O-N 2.95Å; M106-K108 PolarHBondContact O-N 3.41Å; M106-G109 PolarHBondContact O-N 3.13Å; M106-Y110 VanDerWaalsContact O-CD2 3.25Å; M106-Y110 WeakPolarHBondContact O-CD2 3.42Å; M106-Y110 PolarHBondContact O-N 2.91Å; M106-L307 HydrophobicContact CE-CB 4.42Å; M106-L307 HydrophobicContact SD-CB 3.47Å; M106-L307 WeakPolarHBondContact SD-CB 3.5Å; M106-L307 HydrophobicContact SD-CD1 4.19Å; M106-L307 HydrophobicContact SD-CG 4.47Å; M106-E335 HydrophobicContact CE-CB 4.42Å; M106-E335 WeakPolarHBondContact CE-O 3.24Å; M106-E335 HydrophobicContact SD-CB 4.34Å
107	K	98	Very high	96.3	Very high	55 Å²	55	66.8 Å²	66.8	24%	0.239	33%	0.333	C	S	.	.	H	α-helix	trans	-56.3	-48.8	176	-75.7	168.1	-173.9	178.2	0	112	W96 G98 A103 T104 C105 G109 Y110 E111	W96-K107 HydrophobicContact CB-CG 4.34Å; W96-K107 WeakPolarHBondContact O-CE 3.39Å; G98-K107 PolarHBondContact O-NZ 2.82Å; A103-K107 WeakPolarHBondContact O-CB 3.48Å; A103-K107 WeakPolarHBondContact O-CD 3.44Å; A103-K107 WeakPolarHBondContact O-CG 3.46Å; A103-K107 PolarHBondContact O-N 3.1Å; T104-K107 PolarHBondContact O-N 3.17Å; C105-K107 PolarHBondContact O-N 3.13Å; K107-G109 VanDerWaalsContact C-N 3.34Å; K107-G109 PolarHBondContact O-N 3.42Å; K107-Y110 PolarHBondContact O-N 3.26Å; K107-E111 VanDerWaalsContact O-CG 3.3Å; K107-E111 WeakPolarHBondContact O-CG 3.27Å; K107-E111 PolarHBondContact O-N 2.85Å
108	K	98	Very high	96.5	Very high	83 Å²	83	61.1 Å²	61.1	36%	0.361	32%	0.319	S	S	.	.	H	α-helix	trans	-64.2	-39.6	177.7	-68.3	-177.3	177.9	-172.5	0	112.3	T104 C105 M106 Y110 E111 E112 Y310	T104-K108 WeakPolarHBondContact O-CG 3.42Å; T104-K108 PolarHBondContact O-N 2.85Å; T104-K108 VanDerWaalsContact O-N 3.13Å; C105-K108 PolarHBondContact O-N 3.31Å; M106-K108 PolarHBondContact O-N 3.41Å; K108-Y110 VanDerWaalsContact C-N 3.35Å; K108-Y110 PolarHBondContact O-N 2.97Å; K108-E111 WeakPolarHBondContact O-CB 3.49Å; K108-E111 PolarHBondContact O-N 2.95Å; K108-E112 PolarHBondContact O-N 3.26Å; K108-Y310 HydrophobicContact CB-CD1 4.03Å; K108-Y310 HydrophobicContact CB-CD2 4.32Å; K108-Y310 HydrophobicContact CB-CE1 3.52Å; K108-Y310 HydrophobicContact CB-CE2 3.84Å; K108-Y310 HydrophobicContact CB-CG 4.4Å; K108-Y310 VanDerWaalsContact CB-CZ 3.42Å; K108-Y310 HydrophobicContact CD-CD1 4.31Å; K108-Y310 HydrophobicContact CD-CE1 3.45Å; K108-Y310 VanDerWaalsContact CD-CE1 3.45Å; K108-Y310 HydrophobicContact CG-CE1 4.15Å
109	G	97.9	Very high	96.7	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-58.2	-46	172.9	0	0	0	0	0	112.3	C105 M106 K107 E112 V113	C105-G109 PolarHBondContact O-N 2.89Å; M106-G109 PolarHBondContact O-N 3.13Å; K107-G109 VanDerWaalsContact C-N 3.34Å; K107-G109 PolarHBondContact O-N 3.42Å; G109-E112 PolarHBondContact O-N 3.44Å; G109-V113 WeakPolarHBondContact O-CG2 3.24Å; G109-V113 PolarHBondContact O-N 3.41Å; G109-V113 VanDerWaalsContact O-N 3.1Å
110	Y	98.4	Very high	96.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-66	-37.1	175.3	-83	-63.3	0	0	0	113.3	I88 Y91 C92 W96 M106 K107 K108 E112 V113 S114 I120 L307 I333 E335	I88-Y110 HydrophobicContact CD1-CD1 3.96Å; I88-Y110 HydrophobicContact CD1-CE1 4.43Å; I88-Y110 HydrophobicContact CG1-CD1 3.72Å; I88-Y110 HydrophobicContact CG1-CE1 4.23Å; Y91-Y110 HydrophobicContact CD1-CE1 4.09Å; Y91-Y110 HydrophobicContact CD1-CE2 4.46Å; Y91-Y110 AromaticContact CD1-CZ 3.99Å; Y91-Y110 HydrophobicContact CE1-CE1 4.06Å; Y91-Y110 HydrophobicContact CE1-CE2 4.07Å; Y91-Y110 AromaticContact CE1-CZ 3.56Å; Y91-Y110 WeakPolarHBondContact CE1-OH 3.49Å; C92-Y110 HydrophobicContact CB-CD2 3.96Å; C92-Y110 HydrophobicContact CB-CG 3.9Å; W96-Y110 AromaticContact CD1-CE2 3.73Å; W96-Y110 AromaticContact NE1-CE2 3.63Å; M106-Y110 VanDerWaalsContact O-CD2 3.25Å; M106-Y110 WeakPolarHBondContact O-CD2 3.42Å; M106-Y110 PolarHBondContact O-N 2.91Å; K107-Y110 PolarHBondContact O-N 3.26Å; K108-Y110 VanDerWaalsContact C-N 3.35Å; K108-Y110 PolarHBondContact O-N 2.97Å; Y110-E112 VanDerWaalsContact C-N 3.33Å; Y110-E112 PolarHBondContact O-N 2.86Å; Y110-V113 PolarHBondContact O-N 2.94Å; Y110-S114 WeakPolarHBondContact O-CB 3.22Å; Y110-S114 PolarHBondContact O-N 3.37Å; Y110-I120 HydrophobicContact CE1-CD1 3.85Å; Y110-L307 HydrophobicContact CD1-CD1 4.18Å; Y110-L307 HydrophobicContact CD2-CD1 3.67Å; Y110-L307 HydrophobicContact CE1-CD1 3.86Å; Y110-L307 HydrophobicContact CE2-CD1 3.29Å; Y110-L307 HydrophobicContact CG-CD1 4.07Å; Y110-I333 HydrophobicContact CE1-CD1 4.08Å; Y110-I333 HydrophobicContact CE1-CG2 4.1Å; Y110-E335 WeakPolarHBondContact OH-CG 3.49Å; Y110-E335 PolarHBondContact OH-OE1 2.82Å
111	E	97.8	Very high	97	Very high	93 Å²	93	48.8 Å²	48.8	44%	0.435	24%	0.24	S	C	.	.	H	α-helix	trans	-57.8	-44.4	172.8	-73.1	164.5	-174.6	0	0	111.1	M89 K107 K108 S114 Q115	M89-E111 HydrophobicContact CE-CG 3.72Å; K107-E111 VanDerWaalsContact O-CG 3.3Å; K107-E111 WeakPolarHBondContact O-CG 3.27Å; K107-E111 PolarHBondContact O-N 2.85Å; K108-E111 WeakPolarHBondContact O-CB 3.49Å; K108-E111 PolarHBondContact O-N 2.95Å; E111-S114 WeakPolarHBondContact O-CB 3.47Å; E111-S114 PolarHBondContact O-N 2.87Å; E111-S114 PolarHBondContact O-OG 3.26Å; E111-Q115 PolarHBondContact O-N 3.18Å
112	E	97.5	Very high	97.2	Very high	64 Å²	64	45.1 Å²	45.1	30%	0.299	22%	0.219	S	C	.	.	H	α-helix	trans	-64.8	-42.5	175.5	-66.5	-58.6	153.7	0	0	112.5	K108 G109 Y110 S114 Q115 Y310 F315	K108-E112 PolarHBondContact O-N 3.26Å; G109-E112 PolarHBondContact O-N 3.44Å; Y110-E112 VanDerWaalsContact C-N 3.33Å; Y110-E112 PolarHBondContact O-N 2.86Å; E112-S114 PolarHBondContact O-N 3.04Å; E112-Q115 WeakPolarHBondContact O-CB 3.48Å; E112-Q115 PolarHBondContact O-N 3.03Å; E112-Q115 PolarHBondContact OE2-NE2 3.28Å; E112-Q115 PolarHBondContact OE2-OE1 2.93Å; E112-Y310 HydrophobicContact CG-CD2 4.46Å; E112-Y310 HydrophobicContact CG-CE2 3.71Å; E112-F315 HydrophobicContact CB-CE1 3.89Å; E112-F315 HydrophobicContact CB-CZ 3.75Å; E112-F315 HydrophobicContact CG-CE1 4.16Å; E112-F315 HydrophobicContact CG-CZ 4.15Å
113	V	97.9	Very high	97.4	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.4	-37.2	175.9	-177.7	0	0	0	0	110.7	I88 G109 Y110 Q115 K116 F117 Y305 L307 I333 P343	I88-V113 HydrophobicContact CD1-CB 3.85Å; I88-V113 HydrophobicContact CD1-CG1 3.39Å; G109-V113 WeakPolarHBondContact O-CG2 3.24Å; G109-V113 PolarHBondContact O-N 3.41Å; G109-V113 VanDerWaalsContact O-N 3.1Å; Y110-V113 PolarHBondContact O-N 2.94Å; V113-Q115 PolarHBondContact O-N 3.5Å; V113-K116 PolarHBondContact O-N 3.33Å; V113-F117 HydrophobicContact CG1-CB 4.42Å; V113-F117 HydrophobicContact CG1-CD2 4.01Å; V113-F117 PolarHBondContact O-N 2.89Å; V113-Y305 HydrophobicContact CG2-CD1 3.72Å; V113-Y305 HydrophobicContact CG2-CD2 4.09Å; V113-Y305 HydrophobicContact CG2-CE1 4.25Å; V113-Y305 HydrophobicContact CG2-CG 3.64Å; V113-L307 HydrophobicContact CG2-CD2 4.18Å; V113-I333 HydrophobicContact CG1-CD1 3.82Å; V113-I333 HydrophobicContact CG1-CG1 4.13Å; V113-I333 HydrophobicContact CG2-CG1 4.3Å; V113-P343 HydrophobicContact CG1-CB 4.14Å
114	S	97.2	Very high	97.5	Very high	37 Å²	37	45.7 Å²	45.7	26%	0.259	22%	0.219	S	C	.	.	H	α-helix	trans	-62.3	-23	-179.4	84.2	0	0	0	0	113.7	Y110 E111 E112 K116 F117 C347	Y110-S114 WeakPolarHBondContact O-CB 3.22Å; Y110-S114 PolarHBondContact O-N 3.37Å; E111-S114 WeakPolarHBondContact O-CB 3.47Å; E111-S114 PolarHBondContact O-N 2.87Å; E111-S114 PolarHBondContact O-OG 3.26Å; E112-S114 PolarHBondContact O-N 3.04Å; S114-K116 PolarHBondContact O-N 2.89Å; S114-F117 WeakPolarHBondContact CA-O 3.09Å; S114-C347 PolarHBondContact O-SG 2.96Å
115	Q	96.1	Very high	97.4	Very high	123 Å²	123	45.1 Å²	45.1	58%	0.575	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-28.2	175.2	-62.2	174.8	11.1	0	0	112.1	E111 E112 V113	E111-Q115 PolarHBondContact O-N 3.18Å; E112-Q115 WeakPolarHBondContact O-CB 3.48Å; E112-Q115 PolarHBondContact O-N 3.03Å; E112-Q115 PolarHBondContact OE2-NE2 3.28Å; E112-Q115 PolarHBondContact OE2-OE1 2.93Å; V113-Q115 PolarHBondContact O-N 3.5Å
116	K	96.4	Very high	97.4	Very high	102 Å²	102	45.2 Å²	45.2	44%	0.443	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-24.1	-178.1	-66.6	-176	-170.4	168	0	114	V113 S114 Y305 V346 C347	V113-K116 PolarHBondContact O-N 3.33Å; S114-K116 PolarHBondContact O-N 2.89Å; K116-Y305 WeakPolarHBondContact CD-OH 3.42Å; K116-Y305 PolarHBondContact NZ-OH 3.37Å; K116-V346 CarbonylContact O-C 3.42Å; K116-V346 VanDerWaalsContact O-CA 3.26Å; K116-V346 WeakPolarHBondContact O-CA 3.05Å; K116-C347 VanDerWaalsContact C-SG 3.53Å; K116-C347 PolarHBondContact O-N 3.5Å
117	F	97.5	Very high	97.3	Very high	21 Å²	21	47.5 Å²	47.5	9%	0.092	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	127.9	-175.2	-58.3	-86.8	0	0	0	110.7	V113 S114 Y305 T331 P343 R345 V346	V113-F117 HydrophobicContact CG1-CB 4.42Å; V113-F117 HydrophobicContact CG1-CD2 4.01Å; V113-F117 PolarHBondContact O-N 2.89Å; S114-F117 WeakPolarHBondContact CA-O 3.09Å; F117-Y305 HydrophobicContact CE2-CE2 4.18Å; F117-T331 HydrophobicContact CE2-CG2 3.93Å; F117-T331 HydrophobicContact CZ-CG2 3.88Å; F117-P343 HydrophobicContact CB-CB 3.78Å; F117-P343 HydrophobicContact CD1-CB 3.83Å; F117-P343 HydrophobicContact CD2-CB 3.72Å; F117-P343 HydrophobicContact CD2-CG 4.25Å; F117-P343 HydrophobicContact CE1-CB 4.3Å; F117-P343 HydrophobicContact CE2-CB 4.2Å; F117-P343 HydrophobicContact CE2-CG 4.26Å; F117-P343 HydrophobicContact CG-CB 3.51Å; F117-P343 HydrophobicContact CG-CG 4.39Å; F117-P343 HydrophobicContact CZ-CB 4.47Å; F117-P343 HydrophobicContact CZ-CG 4.39Å; F117-R345 WeakPolarHBondContact CA-O 3.18Å; F117-V346 HydrophobicContact CD1-CG2 4.27Å; F117-V346 HydrophobicContact CE1-CG2 3.95Å
118	T	97.1	Very high	97.3	Very high	61 Å²	61	45.2 Å²	45.2	37%	0.374	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-23.9	-179.2	66.5	0	0	0	0	112.7	I88 R345 C347	I88-T118 WeakPolarHBondContact CG2-O 3.32Å; I88-T118 PolarHBondContact N-O 3.23Å; T118-R345 PolarHBondContact N-O 3.12Å; T118-R345 WeakPolarHBondContact OG1-CB 3.49Å; T118-C347 WeakPolarHBondContact CG2-SG 3.25Å
119	S	97.9	Very high	97.3	Very high	16 Å²	16	41.4 Å²	41.4	11%	0.112	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	160	-165.9	-60.2	0	0	0	0	112.1	M86 P343 V344	M86-S119 CarbonylContact O-C 3.54Å; M86-S119 VanDerWaalsContact O-CA 3.23Å; M86-S119 WeakPolarHBondContact O-CA 3.43Å; M86-S119 WeakPolarHBondContact O-CB 3.23Å; S119-P343 WeakPolarHBondContact O-CA 3.45Å; S119-V344 PolarHBondContact N-O 3.37Å; S119-V344 PolarHBondContact O-N 3.14Å; S119-V344 VanDerWaalsContact O-O 3.09Å
120	I	98.3	Very high	97.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	144	179.2	-169.2	175.2	0	0	0	110.5	E85 M86 I88 Y91 Y110 I333 N341 I342	E85-I120 WeakPolarHBondContact CA-O 3.35Å; M86-I120 HydrophobicContact CG-CG2 3.89Å; M86-I120 PolarHBondContact N-O 2.97Å; M86-I120 PolarHBondContact O-N 2.93Å; I88-I120 HydrophobicContact CB-CB 4.42Å; I88-I120 HydrophobicContact CB-CG2 4.44Å; I88-I120 HydrophobicContact CG1-CB 4.13Å; I88-I120 HydrophobicContact CG1-CG2 4.35Å; Y91-I120 HydrophobicContact CD1-CD1 3.81Å; Y91-I120 HydrophobicContact CD1-CG2 4.16Å; Y91-I120 HydrophobicContact CE1-CD1 3.88Å; Y91-I120 HydrophobicContact CG-CD1 4.41Å; Y91-I120 HydrophobicContact CG-CG2 3.84Å; Y110-I120 HydrophobicContact CE1-CD1 3.85Å; I120-I333 HydrophobicContact CD1-CD1 3.8Å; I120-I333 HydrophobicContact CG1-CD1 4.19Å; I120-N341 HydrophobicContact CD1-CB 3.7Å; I120-N341 HydrophobicContact CG1-CB 4Å; I120-I342 CarbonylContact C-O 3.47Å; I120-I342 WeakPolarHBondContact CA-O 3.42Å
121	R	98.4	Very high	97.4	Very high	7 Å²	7	41.8 Å²	41.8	3%	0.026	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	124.7	165.9	-60.5	-166.9	68.2	164.5	-7.4	109.3	V82 A83 E85 Q212 D216 I342 V344	V82-R121 HydrophobicContact CG1-CB 3.82Å; V82-R121 PolarHBondContact O-NH2 3.14Å; A83-R121 WeakPolarHBondContact O-CB 3.46Å; A83-R121 PolarHBondContact O-NE 2.82Å; A83-R121 PolarHBondContact O-NH2 3.26Å; E85-R121 HydrophobicContact CB-CG 4Å; R121-Q212 VanDerWaalsContact NH1-CD 3.26Å; R121-D216 IonicContact CZ-OD1 3.45Å; R121-D216 IonicContact NH1-OD1 2.89Å; R121-D216 PolarHBondContact NH1-OD1 2.88Å; R121-D216 IonicContact NH1-OD2 2.99Å; R121-D216 PolarHBondContact NH1-OD2 3.34Å; R121-D216 IonicContact NH2-OD1 3.84Å; R121-D216 PolarHBondContact NH2-OD1 3.33Å; R121-D216 IonicContact NH2-OD2 2.62Å; R121-I342 HydrophobicContact CB-CB 4.36Å; R121-I342 PolarHBondContact N-O 2.75Å; R121-I342 PolarHBondContact O-N 3.32Å; R121-V344 HydrophobicContact CG-CG1 4.19Å; R121-V344 HydrophobicContact CG-CG2 4.15Å
122	R	98.2	Very high	97.4	Very high	92 Å²	92	37.4 Å²	37.4	35%	0.347	19%	0.19	S	C	.	.	P	Polyproline II helix	trans	-76	126.7	176.9	-59.9	-175.4	-58.8	145.3	4.9	109.5	A83 Y91 N341	A83-R122 HydrophobicContact CB-CB 4.13Å; A83-R122 PolarHBondContact N-O 3.01Å; Y91-R122 HydrophobicContact CD2-CG 4.03Å; Y91-R122 HydrophobicContact CE2-CG 3.67Å; R122-N341 WeakPolarHBondContact CA-OD1 3.36Å
123	V	98.3	Very high	97.5	Very high	12 Å²	12	34.3 Å²	34.3	7%	0.073	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-95.8	141.6	176.3	-175.4	0	0	0	0	108.3	V82 G125 R132 A133 Y340 N341 I342	V82-V123 HydrophobicContact CG2-CG1 4.37Å; V82-V123 HydrophobicContact CG2-CG2 4.45Å; V123-G125 PolarHBondContact O-N 3.28Å; V123-G125 VanDerWaalsContact O-N 3.15Å; V123-R132 HydrophobicContact CG1-CB 3.89Å; V123-R132 HydrophobicContact CG1-CG 3.63Å; V123-A133 HydrophobicContact CG1-CB 4.32Å; V123-A133 HydrophobicContact CG2-CB 3.91Å; V123-Y340 WeakPolarHBondContact CB-O 3.47Å; V123-Y340 WeakPolarHBondContact CG2-O 3.48Å; V123-N341 PolarHBondContact N-OD1 3.31Å; V123-I342 HydrophobicContact CG2-CD1 3.84Å; V123-I342 HydrophobicContact CG2-CG1 3.73Å
124	R	96.5	Very high	97.5	Very high	101 Å²	101	34.4 Å²	34.4	38%	0.381	18%	0.177	S	C	.	.	P	Polyproline II helix	trans	-55.6	121.6	174	-175.7	176.7	-178.3	-149.3	-3.7	110.7	S81 D126 R132 N221 Y226	S81-R124 VanDerWaalsContact O-CB 3.26Å; S81-R124 WeakPolarHBondContact O-CB 3.48Å; S81-R124 PolarHBondContact O-N 2.96Å; R124-D126 WeakPolarHBondContact CD-OD2 3.34Å; R124-D126 HydrophobicContact CG-CB 4.33Å; R124-D126 IonicContact CZ-OD2 2.74Å; R124-D126 IonicContact NE-OD2 2.85Å; R124-D126 IonicContact NH1-OD2 3.17Å; R124-D126 PolarHBondContact NH1-OD2 2.95Å; R124-D126 PolarHBondContact O-N 3.43Å; R124-R132 PolarHBondContact O-NH1 3.15Å; R124-N221 PolarHBondContact NH1-ND2 3.48Å; R124-N221 PolarHBondContact NH1-OD1 2.94Å; R124-Y226 PolarHBondContact NH1-OH 3.44Å
125	G	94.7	Very high	97.6	Very high	42 Å²	42	33 Å²	33	43%	0.433	17%	0.166	S	C	.	.			trans	-77.6	44	179.5	0	0	0	0	0	114.1	V123	V123-G125 PolarHBondContact O-N 3.28Å; V123-G125 VanDerWaalsContact O-N 3.15Å
126	D	95.3	Very high	97.7	Very high	35 Å²	35	27.2 Å²	27.2	19%	0.187	14%	0.139	C	C	.	.	S	Bend	trans	-89.9	-178.4	170	69.5	22.1	0	0	0	111.2	R124 Y128 C129 R132	R124-D126 WeakPolarHBondContact CD-OD2 3.34Å; R124-D126 HydrophobicContact CG-CB 4.33Å; R124-D126 IonicContact CZ-OD2 2.74Å; R124-D126 IonicContact NE-OD2 2.85Å; R124-D126 IonicContact NH1-OD2 3.17Å; R124-D126 PolarHBondContact NH1-OD2 2.95Å; R124-D126 PolarHBondContact O-N 3.43Å; D126-Y128 PolarHBondContact O-N 2.94Å; D126-Y128 WeakPolarHBondContact OD1-CA 3.38Å; D126-Y128 WeakPolarHBondContact OD1-CB 3.13Å; D126-Y128 PolarHBondContact OD1-N 3.46Å; D126-C129 VanDerWaalsContact O-CB 3.27Å; D126-C129 WeakPolarHBondContact O-CB 3.48Å; D126-C129 PolarHBondContact O-N 2.91Å; D126-R132 IonicContact OD1-CZ 3.56Å; D126-R132 IonicContact OD1-NH1 3.29Å; D126-R132 PolarHBondContact OD1-NH1 3.05Å; D126-R132 IonicContact OD1-NH2 3.91Å; D126-R132 PolarHBondContact OD1-NH2 3.17Å; D126-R132 IonicContact OD2-CZ 3.33Å; D126-R132 IonicContact OD2-NH1 3.77Å; D126-R132 PolarHBondContact OD2-NH1 2.75Å; D126-R132 IonicContact OD2-NH2 2.68Å; D126-R132 PolarHBondContact OD2-NH2 3.34Å
127	N	97	Very high	97.8	Very high	53 Å²	53	22.8 Å²	22.8	28%	0.283	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	3.6	-179.2	-72.9	-33.9	0	0	0	114.8	G281 H282 T283 G284	N127-G281 VanDerWaalsContact CB-CA 3.46Å; N127-G281 PolarHBondContact O-N 2.87Å; N127-G281 VanDerWaalsContact O-N 3.11Å; N127-H282 PolarHBondContact ND2-O 3.34Å; N127-T283 PolarHBondContact ND2-N 3.33Å; N127-G284 VanDerWaalsContact CB-O 3.28Å; N127-G284 WeakPolarHBondContact CB-O 3.31Å; N127-G284 VanDerWaalsContact OD1-C 3.26Å; N127-G284 WeakPolarHBondContact OD1-CA 3.39Å
128	Y	97.9	Very high	97.8	Very high	7 Å²	7	21.9 Å²	21.9	3%	0.027	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	5	169.3	-66.4	-78.9	0	0	0	113.2	D126 A130 L131 R132 G174 Y226 Y229 K233 V280	D126-Y128 PolarHBondContact O-N 2.94Å; D126-Y128 WeakPolarHBondContact OD1-CA 3.38Å; D126-Y128 WeakPolarHBondContact OD1-CB 3.13Å; D126-Y128 PolarHBondContact OD1-N 3.46Å; Y128-A130 PolarHBondContact O-N 3Å; Y128-L131 HydrophobicContact CD1-CD1 3.96Å; Y128-L131 PolarHBondContact O-N 3.4Å; Y128-R132 WeakPolarHBondContact O-CB 3.24Å; Y128-R132 PolarHBondContact O-N 3.18Å; Y128-G174 WeakPolarHBondContact OH-CA 3.46Å; Y128-Y226 AromaticContact CD2-CD1 3.93Å; Y128-Y226 HydrophobicContact CD2-CD1 3.93Å; Y128-Y226 AromaticContact CD2-CE1 3.66Å; Y128-Y226 HydrophobicContact CD2-CE1 3.66Å; Y128-Y226 AromaticContact CE2-CD1 3.57Å; Y128-Y226 HydrophobicContact CE2-CD1 3.57Å; Y128-Y226 AromaticContact CE2-CE1 3.6Å; Y128-Y226 HydrophobicContact CE2-CE1 3.6Å; Y128-Y229 AromaticContact CD1-CD2 3.36Å; Y128-Y229 HydrophobicContact CD1-CD2 3.36Å; Y128-Y229 HydrophobicContact CD1-CE2 4.22Å; Y128-Y229 AromaticContact CD1-CG 3.57Å; Y128-Y229 HydrophobicContact CD1-CG 3.57Å; Y128-Y229 HydrophobicContact CD2-CD2 4.09Å; Y128-Y229 HydrophobicContact CD2-CE2 4.44Å; Y128-Y229 AromaticContact CE1-CD2 3.8Å; Y128-Y229 HydrophobicContact CE1-CD2 3.8Å; Y128-Y229 AromaticContact CE1-CG 4Å; Y128-Y229 HydrophobicContact CE1-CG 4Å; Y128-Y229 HydrophobicContact CE2-CD2 4.45Å; Y128-Y229 AromaticContact CG-CD2 3.52Å; Y128-Y229 HydrophobicContact CG-CD2 3.52Å; Y128-Y229 AromaticContact CG-CE2 3.95Å; Y128-Y229 HydrophobicContact CG-CE2 3.95Å; Y128-Y229 HydrophobicContact CG-CG 4.15Å; Y128-K233 HydrophobicContact CE1-CD 4.25Å; Y128-V280 HydrophobicContact CD1-CG1 4.48Å
129	C	98.1	Very high	97.9	Very high	3 Å²	3	19 Å²	19	2%	0.02	10%	0.099	C	C	.	.	H	α-helix	trans	-47.9	-50.8	-171	-170.9	0	0	0	0	114	D126 R132 A133 Y340	D126-C129 VanDerWaalsContact O-CB 3.27Å; D126-C129 WeakPolarHBondContact O-CB 3.48Å; D126-C129 PolarHBondContact O-N 2.91Å; C129-R132 PolarHBondContact O-N 3.46Å; C129-A133 VanDerWaalsContact O-CB 3.31Å; C129-A133 WeakPolarHBondContact O-CB 3.45Å; C129-A133 PolarHBondContact O-N 3.48Å; C129-Y340 PolarHBondContact SG-N 3.32Å; C129-Y340 PolarHBondContact SG-O 3.46Å
130	A	98.4	Very high	97.9	Very high	6 Å²	6	18.7 Å²	18.7	5%	0.05	10%	0.097	C	C	.	.	H	α-helix	trans	-63.2	-43.1	178.8	0	0	0	0	0	113.5	Y128 T134 L286 M291 Y340	Y128-A130 PolarHBondContact O-N 3Å; A130-T134 VanDerWaalsContact O-CB 3.32Å; A130-T134 WeakPolarHBondContact O-CB 3.32Å; A130-T134 PolarHBondContact O-N 2.92Å; A130-T134 VanDerWaalsContact O-N 3.08Å; A130-T134 PolarHBondContact O-OG1 3.06Å; A130-L286 HydrophobicContact CB-CB 4.22Å; A130-L286 HydrophobicContact CB-CD1 4.08Å; A130-L286 HydrophobicContact CB-CG 4.36Å; A130-M291 HydrophobicContact CB-CE 4.49Å; A130-M291 HydrophobicContact CB-SD 3.78Å; A130-Y340 HydrophobicContact CB-CD2 3.8Å; A130-Y340 HydrophobicContact CB-CE2 3.72Å
131	L	98.7	Very high	97.8	Very high	3 Å²	3	23 Å²	23	2%	0.016	12%	0.117	C	C	.	.	H	α-helix	trans	-64.7	-45.1	176.7	-70.7	174.6	0	0	0	110.8	Y128 L135 Y229 V232 K233 M236 V280 L286 L294	Y128-L131 HydrophobicContact CD1-CD1 3.96Å; Y128-L131 PolarHBondContact O-N 3.4Å; L131-L135 WeakPolarHBondContact O-CB 3.49Å; L131-L135 PolarHBondContact O-N 3.35Å; L131-Y229 HydrophobicContact CB-CD1 3.98Å; L131-Y229 HydrophobicContact CB-CE1 4.38Å; L131-V232 HydrophobicContact CD2-CB 4.46Å; L131-V232 HydrophobicContact CD2-CG1 3.7Å; L131-K233 HydrophobicContact CD1-CD 4.3Å; L131-K233 HydrophobicContact CD1-CG 3.92Å; L131-M236 HydrophobicContact CD2-SD 4.08Å; L131-V280 HydrophobicContact CD1-CG1 3.7Å; L131-L286 HydrophobicContact CD2-CD1 3.88Å; L131-L286 HydrophobicContact CG-CD1 4.03Å; L131-L286 HydrophobicContact CG-CG 4.46Å; L131-L294 HydrophobicContact CD2-CD1 3.58Å; L131-L294 HydrophobicContact CD2-CD2 4.02Å; L131-L294 HydrophobicContact CD2-CG 4.39Å
132	R	98.8	Very high	97.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-60.9	-51	177.8	-176.9	174.6	-61.8	97.4	-0.8	111.5	S81 V82 V123 R124 D126 Y128 C129 T134 L135 F136 F219 E225 Y229	S81-R132 WeakPolarHBondContact O-CD 3.29Å; S81-R132 WeakPolarHBondContact OG-CD 3.33Å; S81-R132 PolarHBondContact OG-NE 3.45Å; V82-R132 HydrophobicContact CG2-CG 3.82Å; V123-R132 HydrophobicContact CG1-CB 3.89Å; V123-R132 HydrophobicContact CG1-CG 3.63Å; R124-R132 PolarHBondContact O-NH1 3.15Å; D126-R132 IonicContact OD1-CZ 3.56Å; D126-R132 IonicContact OD1-NH1 3.29Å; D126-R132 PolarHBondContact OD1-NH1 3.05Å; D126-R132 IonicContact OD1-NH2 3.91Å; D126-R132 PolarHBondContact OD1-NH2 3.17Å; D126-R132 IonicContact OD2-CZ 3.33Å; D126-R132 IonicContact OD2-NH1 3.77Å; D126-R132 PolarHBondContact OD2-NH1 2.75Å; D126-R132 IonicContact OD2-NH2 2.68Å; D126-R132 PolarHBondContact OD2-NH2 3.34Å; Y128-R132 WeakPolarHBondContact O-CB 3.24Å; Y128-R132 PolarHBondContact O-N 3.18Å; C129-R132 PolarHBondContact O-N 3.46Å; R132-T134 PolarHBondContact O-N 2.99Å; R132-L135 PolarHBondContact O-N 2.92Å; R132-F136 WeakPolarHBondContact O-CB 3.43Å; R132-F136 PolarHBondContact O-N 3.24Å; R132-F219 HydrophobicContact CG-CD1 3.95Å; R132-F219 HydrophobicContact CG-CE1 4.08Å; R132-E225 IonicContact CZ-OE1 3.39Å; R132-E225 VanDerWaalsContact CZ-OE1 3.28Å; R132-E225 IonicContact NE-OE1 2.93Å; R132-E225 PolarHBondContact NE-OE1 3.46Å; R132-E225 IonicContact NH2-OE1 3.73Å; R132-E225 PolarHBondContact NH2-OE1 2.89Å; R132-Y229 HydrophobicContact CB-CE1 4.21Å; R132-Y229 WeakPolarHBondContact CB-OH 3.15Å; R132-Y229 VanDerWaalsContact CG-OH 3.28Å; R132-Y229 WeakPolarHBondContact CG-OH 3.26Å; R132-Y229 PolarHBondContact NE-OH 3.02Å
133	A	98.7	Very high	97.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.5	-47.4	-178.2	0	0	0	0	0	111.3	V123 C129 Q137 L332 I342	V123-A133 HydrophobicContact CG1-CB 4.32Å; V123-A133 HydrophobicContact CG2-CB 3.91Å; C129-A133 VanDerWaalsContact O-CB 3.31Å; C129-A133 WeakPolarHBondContact O-CB 3.45Å; C129-A133 PolarHBondContact O-N 3.48Å; A133-Q137 PolarHBondContact O-N 3.19Å; A133-L332 HydrophobicContact CB-CD1 4.21Å; A133-L332 HydrophobicContact CB-CD2 3.85Å; A133-I342 HydrophobicContact CB-CG1 4.26Å
134	T	98.8	Very high	96.9	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.012	16%	0.155	C	C	.	.	H	α-helix	trans	-63.3	-50.5	179.1	-56.3	0	0	0	0	111.5	A130 R132 Q137 A138 L294 I302 V330	A130-T134 VanDerWaalsContact O-CB 3.32Å; A130-T134 WeakPolarHBondContact O-CB 3.32Å; A130-T134 PolarHBondContact O-N 2.92Å; A130-T134 VanDerWaalsContact O-N 3.08Å; A130-T134 PolarHBondContact O-OG1 3.06Å; R132-T134 PolarHBondContact O-N 2.99Å; T134-Q137 PolarHBondContact O-N 3.45Å; T134-A138 WeakPolarHBondContact O-CB 3.23Å; T134-A138 PolarHBondContact O-N 2.98Å; T134-L294 HydrophobicContact CG2-CD2 4Å; T134-L294 HydrophobicContact CG2-CG 4.32Å; T134-I302 HydrophobicContact CG2-CD1 3.68Å; T134-I302 HydrophobicContact CG2-CG1 4.09Å; T134-V330 HydrophobicContact CG2-CG2 4.27Å
135	L	98.7	Very high	96.9	Very high	7 Å²	7	21.6 Å²	21.6	4%	0.037	15%	0.147	C	C	.	.	H	α-helix	trans	-70.1	-39.2	-174.2	-169.8	65.3	0	0	0	111.6	L131 R132 Q137 A138 M139 L195 W199 F219 L228 Y229 V232	L131-L135 WeakPolarHBondContact O-CB 3.49Å; L131-L135 PolarHBondContact O-N 3.35Å; R132-L135 PolarHBondContact O-N 2.92Å; L135-Q137 PolarHBondContact O-N 2.99Å; L135-A138 PolarHBondContact O-N 3.28Å; L135-M139 HydrophobicContact CD1-CG 3.97Å; L135-M139 HydrophobicContact CD1-SD 3.79Å; L135-M139 HydrophobicContact CD2-SD 4.06Å; L135-M139 HydrophobicContact CG-CG 4.14Å; L135-M139 HydrophobicContact CG-SD 3.62Å; L135-M139 VanDerWaalsContact O-CB 3.25Å; L135-M139 WeakPolarHBondContact O-CB 3.46Å; L135-M139 VanDerWaalsContact O-CG 3.25Å; L135-M139 WeakPolarHBondContact O-CG 3.3Å; L135-M139 PolarHBondContact O-N 3.13Å; L135-L195 HydrophobicContact CD1-CD1 4.12Å; L135-W199 HydrophobicContact CD1-CE3 4.42Å; L135-W199 HydrophobicContact CD1-CH2 4.35Å; L135-W199 HydrophobicContact CD1-CZ3 3.64Å; L135-F219 HydrophobicContact CB-CZ 4.25Å; L135-F219 HydrophobicContact CD2-CZ 4.18Å; L135-F219 HydrophobicContact CG-CZ 4.12Å; L135-L228 HydrophobicContact CD2-CB 3.57Å; L135-L228 HydrophobicContact CD2-CD1 3.93Å; L135-L228 HydrophobicContact CD2-CG 4.35Å; L135-Y229 HydrophobicContact CD2-CD1 4.47Å; L135-Y229 HydrophobicContact CD2-CE1 4.39Å; L135-V232 HydrophobicContact CD1-CG2 4.28Å; L135-V232 HydrophobicContact CD2-CG2 4.38Å
136	F	98.8	Very high	96.9	Very high	1 Å²	1	20.9 Å²	20.9	0%	0.004	14%	0.135	C	C	.	.	H	α-helix	trans	-58.4	-48.8	175.4	-172.6	-84.6	0	0	0	111.4	V82 R132 S140 C215 D216 F219 I342	V82-F136 HydrophobicContact CB-CD2 3.88Å; V82-F136 HydrophobicContact CB-CE2 3.76Å; V82-F136 HydrophobicContact CB-CG 4.35Å; V82-F136 HydrophobicContact CB-CZ 4.11Å; V82-F136 HydrophobicContact CG1-CD1 4.15Å; V82-F136 HydrophobicContact CG1-CD2 4.2Å; V82-F136 HydrophobicContact CG1-CE1 3.96Å; V82-F136 HydrophobicContact CG1-CE2 4.02Å; V82-F136 HydrophobicContact CG1-CG 4.25Å; V82-F136 HydrophobicContact CG1-CZ 3.87Å; V82-F136 HydrophobicContact CG2-CB 4.22Å; V82-F136 HydrophobicContact CG2-CD2 3.56Å; V82-F136 HydrophobicContact CG2-CE2 3.99Å; V82-F136 HydrophobicContact CG2-CG 3.88Å; R132-F136 WeakPolarHBondContact O-CB 3.43Å; R132-F136 PolarHBondContact O-N 3.24Å; F136-S140 VanDerWaalsContact O-CB 3.29Å; F136-S140 WeakPolarHBondContact O-CB 3.42Å; F136-S140 PolarHBondContact O-N 2.86Å; F136-S140 PolarHBondContact O-OG 3.27Å; F136-S140 VanDerWaalsContact O-OG 3.1Å; F136-C215 HydrophobicContact CE2-CB 4.04Å; F136-C215 HydrophobicContact CZ-CB 4.29Å; F136-D216 WeakPolarHBondContact CZ-OD1 3.44Å; F136-F219 HydrophobicContact CB-CE1 4.18Å; F136-F219 HydrophobicContact CB-CE2 4.37Å; F136-F219 HydrophobicContact CB-CZ 4.09Å; F136-F219 HydrophobicContact CD2-CB 3.96Å; F136-F219 HydrophobicContact CD2-CD1 4.04Å; F136-F219 AromaticContact CD2-CD2 3.55Å; F136-F219 HydrophobicContact CD2-CD2 3.55Å; F136-F219 HydrophobicContact CD2-CE1 4.4Å; F136-F219 AromaticContact CD2-CE2 3.95Å; F136-F219 HydrophobicContact CD2-CE2 3.95Å; F136-F219 AromaticContact CD2-CG 3.58Å; F136-F219 HydrophobicContact CD2-CG 3.58Å; F136-F219 HydrophobicContact CD2-CZ 4.36Å; F136-F219 HydrophobicContact CE2-CB 4.11Å; F136-F219 HydrophobicContact CE2-CD2 4.13Å; F136-F219 HydrophobicContact CE2-CG 4.18Å; F136-I342 HydrophobicContact CB-CD1 3.91Å; F136-I342 HydrophobicContact CD1-CD1 3.51Å; F136-I342 HydrophobicContact CE1-CD1 4.34Å; F136-I342 HydrophobicContact CG-CD1 3.97Å
137	Q	98	Very high	96.9	Very high	9 Å²	9	25.7 Å²	25.7	4%	0.042	16%	0.16	C	C	.	.	H	α-helix	trans	-61.6	-48.3	175.7	-94.5	-77.3	62.2	0	0	112.5	A133 T134 L135 M139 S140 Q141 V330 T331 L332 I342	A133-Q137 PolarHBondContact O-N 3.19Å; T134-Q137 PolarHBondContact O-N 3.45Å; L135-Q137 PolarHBondContact O-N 2.99Å; Q137-M139 VanDerWaalsContact C-N 3.29Å; Q137-M139 PolarHBondContact O-N 3.39Å; Q137-S140 PolarHBondContact O-N 3.39Å; Q137-S140 PolarHBondContact O-OG 2.83Å; Q137-Q141 VanDerWaalsContact NE2-NE2 3.13Å; Q137-Q141 WeakPolarHBondContact O-CB 3.4Å; Q137-Q141 VanDerWaalsContact O-CG 3.25Å; Q137-Q141 WeakPolarHBondContact O-CG 3.45Å; Q137-Q141 PolarHBondContact O-N 2.85Å; Q137-Q141 VanDerWaalsContact O-N 3.11Å; Q137-V330 HydrophobicContact CB-CB 3.84Å; Q137-V330 HydrophobicContact CB-CG1 3.77Å; Q137-T331 PolarHBondContact NE2-O 3.06Å; Q137-L332 HydrophobicContact CG-CD2 4.28Å; Q137-I342 HydrophobicContact CG-CB 4.42Å; Q137-I342 HydrophobicContact CG-CD1 4.27Å; Q137-I342 HydrophobicContact CG-CG1 4.23Å; Q137-I342 HydrophobicContact CG-CG2 3.37Å
138	A	98.3	Very high	96.9	Very high	3 Å²	3	24.2 Å²	24.2	3%	0.025	15%	0.15	C	C	.	.	H	α-helix	trans	-62.3	-39.9	-176.9	0	0	0	0	0	111.8	T134 L135 A142 W199 V330	T134-A138 WeakPolarHBondContact O-CB 3.23Å; T134-A138 PolarHBondContact O-N 2.98Å; L135-A138 PolarHBondContact O-N 3.28Å; A138-A142 PolarHBondContact O-N 2.92Å; A138-W199 HydrophobicContact CB-CH2 3.61Å; A138-W199 HydrophobicContact CB-CZ2 3.94Å; A138-V330 HydrophobicContact CB-CG1 4.01Å
139	M	98.4	Very high	96.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-77	-39.6	-179.6	-69.7	-174.7	76.2	0	0	112.6	L135 Q137 Q141 A142 L195 K198 W199 L202 L218 F219 L228	L135-M139 HydrophobicContact CD1-CG 3.97Å; L135-M139 HydrophobicContact CD1-SD 3.79Å; L135-M139 HydrophobicContact CD2-SD 4.06Å; L135-M139 HydrophobicContact CG-CG 4.14Å; L135-M139 HydrophobicContact CG-SD 3.62Å; L135-M139 VanDerWaalsContact O-CB 3.25Å; L135-M139 WeakPolarHBondContact O-CB 3.46Å; L135-M139 VanDerWaalsContact O-CG 3.25Å; L135-M139 WeakPolarHBondContact O-CG 3.3Å; L135-M139 PolarHBondContact O-N 3.13Å; Q137-M139 VanDerWaalsContact C-N 3.29Å; Q137-M139 PolarHBondContact O-N 3.39Å; M139-Q141 VanDerWaalsContact C-N 3.25Å; M139-Q141 PolarHBondContact O-N 3.23Å; M139-A142 WeakPolarHBondContact O-CB 3.43Å; M139-A142 PolarHBondContact O-N 2.94Å; M139-A142 VanDerWaalsContact O-N 3.17Å; M139-L195 HydrophobicContact SD-CD1 4.4Å; M139-K198 HydrophobicContact CE-CB 3.71Å; M139-W199 HydrophobicContact CE-CB 4.41Å; M139-W199 HydrophobicContact CG-CD2 4Å; M139-W199 HydrophobicContact CG-CE3 3.72Å; M139-W199 HydrophobicContact CG-CH2 4.26Å; M139-W199 HydrophobicContact CG-CZ2 4.49Å; M139-W199 HydrophobicContact CG-CZ3 3.87Å; M139-W199 HydrophobicContact SD-CE3 4.29Å; M139-L202 HydrophobicContact CB-CD1 3.68Å; M139-L202 HydrophobicContact CE-CD1 3.66Å; M139-L202 HydrophobicContact CG-CD1 4.44Å; M139-L218 HydrophobicContact CE-CD2 3.64Å; M139-L218 HydrophobicContact SD-CD2 4.33Å; M139-F219 HydrophobicContact SD-CE2 4.44Å; M139-L228 HydrophobicContact SD-CD1 4.2Å
140	S	97.3	Very high	96.8	Very high	9 Å²	9	28.5 Å²	28.5	6%	0.063	17%	0.17	C	C	.	.	H	α-helix	trans	-67.6	-29	178.4	70.1	0	0	0	0	112.4	F136 Q137 R211 C215	F136-S140 VanDerWaalsContact O-CB 3.29Å; F136-S140 WeakPolarHBondContact O-CB 3.42Å; F136-S140 PolarHBondContact O-N 2.86Å; F136-S140 PolarHBondContact O-OG 3.27Å; F136-S140 VanDerWaalsContact O-OG 3.1Å; Q137-S140 PolarHBondContact O-N 3.39Å; Q137-S140 PolarHBondContact O-OG 2.83Å; S140-R211 WeakPolarHBondContact O-CB 3.44Å; S140-R211 PolarHBondContact O-NE 2.82Å; S140-C215 VanDerWaalsContact CA-SG 3.54Å; S140-C215 PolarHBondContact N-SG 3.43Å; S140-C215 VanDerWaalsContact N-SG 3.43Å
141	Q	95.8	Very high	96.7	Very high	90 Å²	90	31.7 Å²	31.7	42%	0.421	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	4	176.1	-61.3	-177.8	9.5	0	0	113.9	Q137 M139 A143 V329	Q137-Q141 VanDerWaalsContact NE2-NE2 3.13Å; Q137-Q141 WeakPolarHBondContact O-CB 3.4Å; Q137-Q141 VanDerWaalsContact O-CG 3.25Å; Q137-Q141 WeakPolarHBondContact O-CG 3.45Å; Q137-Q141 PolarHBondContact O-N 2.85Å; Q137-Q141 VanDerWaalsContact O-N 3.11Å; M139-Q141 VanDerWaalsContact C-N 3.25Å; M139-Q141 PolarHBondContact O-N 3.23Å; Q141-A143 PolarHBondContact O-N 3.21Å; Q141-V329 PolarHBondContact OE1-O 2.74Å
142	A	94.3	Very high	96.5	Very high	6 Å²	6	36.1 Å²	36.1	5%	0.05	22%	0.216	C	C	.	.			trans	-59	107.6	-175.4	0	0	0	0	0	111.8	A138 M139 L202 R211	A138-A142 PolarHBondContact O-N 2.92Å; M139-A142 WeakPolarHBondContact O-CB 3.43Å; M139-A142 PolarHBondContact O-N 2.94Å; M139-A142 VanDerWaalsContact O-N 3.17Å; A142-L202 HydrophobicContact CB-CB 4.4Å; A142-R211 VanDerWaalsContact O-CD 3.24Å; A142-R211 WeakPolarHBondContact O-CD 3.32Å
143	A	87.6	Confident	96.4	Very high	98 Å²	98	40.4 Å²	40.4	81%	0.81	24%	0.236	S	C	*	.	S	Bend	trans	-89.2	-9.8	174.1	0	0	0	0	0	113	Q141	Q141-A143 PolarHBondContact O-N 3.21Å
144	G	94.8	Very high	96.3	Very high	38 Å²	38	41.1 Å²	41.1	39%	0.392	24%	0.239	S	C	.	.	S	Bend	trans	-172.6	163.8	-175.3	0	0	0	0	0	110.1	P146 A203	G144-P146 WeakPolarHBondContact O-CD 3.45Å; G144-A203 VanDerWaalsContact C-CB 3.43Å
145	L	96.3	Very high	96.2	Very high	42 Å²	42	42 Å²	42	22%	0.22	24%	0.243	C	C	.	.			trans	-76.4	121.7	170.4	-172.4	62.6	0	0	0	108.7	L149 Q150 R196 W199 A200	L145-L149 HydrophobicContact CD1-CB 4.05Å; L145-L149 HydrophobicContact CD1-CD2 3.66Å; L145-L149 HydrophobicContact CD1-CG 3.82Å; L145-L149 HydrophobicContact CG-CB 4.41Å; L145-Q150 HydrophobicContact CB-CG 4.11Å; L145-Q150 HydrophobicContact CD2-CG 3.66Å; L145-Q150 HydrophobicContact CG-CG 3.75Å; L145-Q150 PolarHBondContact O-NE2 3.18Å; L145-R196 HydrophobicContact CD2-CG 4.39Å; L145-W199 HydrophobicContact CD1-CB 3.97Å; L145-W199 HydrophobicContact CD1-CG 4.23Å; L145-A200 HydrophobicContact CD1-CB 4.18Å; L145-A200 HydrophobicContact CD2-CB 4.18Å
146	P	95.8	Very high	96.2	Very high	26 Å²	26	45.4 Å²	45.4	17%	0.169	26%	0.261	C	S	.	.			trans	-60.9	145.3	-179.8	-25.3	35.2	0	0	0	112.3	G144 W148 L149 Q150 W199	G144-P146 WeakPolarHBondContact O-CD 3.45Å; P146-W148 VanDerWaalsContact CB-CD1 3.49Å; P146-W148 HydrophobicContact CB-CG 4.28Å; P146-W148 VanDerWaalsContact CB-NE1 3.29Å; P146-W148 PolarHBondContact O-N 3.12Å; P146-W148 VanDerWaalsContact O-N 3.16Å; P146-L149 HydrophobicContact CB-CB 4.47Å; P146-L149 WeakPolarHBondContact O-CA 3.3Å; P146-L149 WeakPolarHBondContact O-CB 3.34Å; P146-L149 PolarHBondContact O-N 3.43Å; P146-Q150 PolarHBondContact O-N 2.84Å; P146-W199 HydrophobicContact CG-CZ2 4.09Å
147	L	95.5	Very high	96.1	Very high	137 Å²	137	46.7 Å²	46.7	72%	0.717	27%	0.268	S	S	*	.	H	α-helix	trans	-55.2	-37.6	-177.2	-68.4	176.9	0	0	0	113.2	L149 Q150 D151	L147-L149 PolarHBondContact O-N 3.31Å; L147-Q150 WeakPolarHBondContact O-CB 3.39Å; L147-Q150 PolarHBondContact O-N 2.83Å; L147-D151 PolarHBondContact O-N 3.43Å; L147-D151 VanDerWaalsContact O-N 3.17Å
148	W	96.5	Very high	96.1	Very high	21 Å²	21	46.3 Å²	46.3	8%	0.08	27%	0.266	C	S	.	.	H	α-helix	trans	-67	-25.7	178.3	67.2	-97.8	0	0	0	113.2	P146 L154 L195 W199 L235 V298 R299	P146-W148 VanDerWaalsContact CB-CD1 3.49Å; P146-W148 HydrophobicContact CB-CG 4.28Å; P146-W148 VanDerWaalsContact CB-NE1 3.29Å; P146-W148 PolarHBondContact O-N 3.12Å; P146-W148 VanDerWaalsContact O-N 3.16Å; W148-L154 HydrophobicContact CE3-CD2 4.39Å; W148-L154 HydrophobicContact CZ3-CD2 4.32Å; W148-L195 HydrophobicContact CH2-CD2 4.2Å; W148-W199 HydrophobicContact CZ2-CZ3 4.45Å; W148-L235 HydrophobicContact CE3-CD1 4.45Å; W148-L235 HydrophobicContact CH2-CD1 3.83Å; W148-L235 HydrophobicContact CZ3-CD1 3.47Å; W148-L235 VanDerWaalsContact CZ3-CD1 3.47Å; W148-V298 HydrophobicContact CZ2-CB 4.28Å; W148-V298 PolarHBondContact NE1-O 2.83Å; W148-R299 HydrophobicContact CG-CG 4.44Å
149	L	96.8	Very high	96	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-90.8	-19.7	178.3	-162.8	55.4	0	0	0	111.6	L145 P146 L147 L154 L195 R196 W199	L145-L149 HydrophobicContact CD1-CB 4.05Å; L145-L149 HydrophobicContact CD1-CD2 3.66Å; L145-L149 HydrophobicContact CD1-CG 3.82Å; L145-L149 HydrophobicContact CG-CB 4.41Å; P146-L149 HydrophobicContact CB-CB 4.47Å; P146-L149 WeakPolarHBondContact O-CA 3.3Å; P146-L149 WeakPolarHBondContact O-CB 3.34Å; P146-L149 PolarHBondContact O-N 3.43Å; L147-L149 PolarHBondContact O-N 3.31Å; L149-L154 HydrophobicContact CD1-CD2 3.54Å; L149-L195 HydrophobicContact CD1-CD2 4.35Å; L149-L195 HydrophobicContact CD1-CG 4.29Å; L149-L195 HydrophobicContact CD2-CG 4.43Å; L149-R196 HydrophobicContact CD1-CB 3.82Å; L149-R196 HydrophobicContact CD1-CG 4.39Å; L149-R196 HydrophobicContact CG-CB 3.99Å; L149-R196 HydrophobicContact CG-CG 4.13Å; L149-R196 WeakPolarHBondContact O-CD 3.5Å; L149-R196 WeakPolarHBondContact O-CG 3.28Å; L149-W199 HydrophobicContact CD2-CB 3.61Å; L149-W199 HydrophobicContact CD2-CD2 3.82Å; L149-W199 HydrophobicContact CD2-CE3 3.8Å; L149-W199 HydrophobicContact CD2-CG 3.75Å
150	Q	96.5	Very high	96	Very high	101 Å²	101	56.8 Å²	56.8	47%	0.472	31%	0.313	S	S	.	.	H	α-helix	trans	-74.2	-28.9	168.9	-66.3	-179.1	44.6	0	0	112.6	L145 P146 L147 P152	L145-Q150 HydrophobicContact CB-CG 4.11Å; L145-Q150 HydrophobicContact CD2-CG 3.66Å; L145-Q150 HydrophobicContact CG-CG 3.75Å; L145-Q150 PolarHBondContact O-NE2 3.18Å; P146-Q150 PolarHBondContact O-N 2.84Å; L147-Q150 WeakPolarHBondContact O-CB 3.39Å; L147-Q150 PolarHBondContact O-N 2.83Å; Q150-P152 VanDerWaalsContact O-CD 3.3Å; Q150-P152 WeakPolarHBondContact O-CD 3.37Å
151	D	96.3	Very high	96	Very high	73 Å²	73	57 Å²	57	39%	0.39	31%	0.314	S	S	.	.			trans	-57.9	117.1	-174.8	-169.4	-11.1	0	0	0	111.7	L147 E153 L154	L147-D151 PolarHBondContact O-N 3.43Å; L147-D151 VanDerWaalsContact O-N 3.17Å; D151-E153 PolarHBondContact O-N 3.34Å; D151-E153 VanDerWaalsContact OD1-CB 3.26Å; D151-E153 WeakPolarHBondContact OD1-CB 3.44Å; D151-E153 PolarHBondContact OD1-N 3.47Å; D151-L154 VanDerWaalsContact O-CB 3.24Å; D151-L154 WeakPolarHBondContact O-CB 3.24Å; D151-L154 PolarHBondContact O-N 2.9Å; D151-L154 VanDerWaalsContact O-N 3.09Å
152	P	95.1	Very high	96	Very high	96 Å²	96	53 Å²	53	62%	0.623	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-58.4	-28	176.2	-23.8	34.7	0	0	0	113.3	Q150 L154 M155	Q150-P152 VanDerWaalsContact O-CD 3.3Å; Q150-P152 WeakPolarHBondContact O-CD 3.37Å; P152-L154 PolarHBondContact O-N 3.29Å; P152-M155 PolarHBondContact O-N 3.38Å
153	E	95.8	Very high	96.1	Very high	90 Å²	90	56.6 Å²	56.6	42%	0.421	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-61.9	-24.1	178.1	-71.8	-66.6	161.8	0	0	112.6	D151 M155 L156 L157 K160	D151-E153 PolarHBondContact O-N 3.34Å; D151-E153 VanDerWaalsContact OD1-CB 3.26Å; D151-E153 WeakPolarHBondContact OD1-CB 3.44Å; D151-E153 PolarHBondContact OD1-N 3.47Å; E153-M155 PolarHBondContact O-N 3.46Å; E153-L156 PolarHBondContact O-N 2.98Å; E153-L157 PolarHBondContact O-N 2.95Å; E153-L157 VanDerWaalsContact O-N 3.15Å; E153-K160 IonicContact OE1-NZ 2.77Å; E153-K160 IonicContact OE2-NZ 3.6Å; E153-K160 PolarHBondContact OE2-NZ 3.11Å
154	L	96.9	Very high	96.6	Very high	15 Å²	15	58.8 Å²	58.8	8%	0.079	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-58.4	-36	176.8	-174.9	66.2	0	0	0	112.2	W148 L149 D151 P152 L156 L157 L192 L235	W148-L154 HydrophobicContact CE3-CD2 4.39Å; W148-L154 HydrophobicContact CZ3-CD2 4.32Å; L149-L154 HydrophobicContact CD1-CD2 3.54Å; D151-L154 VanDerWaalsContact O-CB 3.24Å; D151-L154 WeakPolarHBondContact O-CB 3.24Å; D151-L154 PolarHBondContact O-N 2.9Å; D151-L154 VanDerWaalsContact O-N 3.09Å; P152-L154 PolarHBondContact O-N 3.29Å; L154-L156 VanDerWaalsContact C-N 3.26Å; L154-L156 PolarHBondContact O-N 3.06Å; L154-L157 HydrophobicContact CD1-CD2 4.21Å; L154-L157 VanDerWaalsContact O-CB 3.27Å; L154-L157 WeakPolarHBondContact O-CB 3.41Å; L154-L157 PolarHBondContact O-N 3.36Å; L154-L192 HydrophobicContact CD1-CD2 4.2Å; L154-L192 HydrophobicContact CD2-CD2 4.41Å; L154-L192 HydrophobicContact CG-CD2 4.32Å; L154-L235 HydrophobicContact CD1-CD2 3.45Å; L154-L235 VanDerWaalsContact CD1-CD2 3.45Å
155	M	97.4	Very high	96.8	Very high	19 Å²	19	58.8 Å²	58.8	9%	0.094	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-78	-12.6	-180	-59	-62.6	121.6	0	0	113.2	P152 E153 L192 T193 R196	P152-M155 PolarHBondContact O-N 3.38Å; E153-M155 PolarHBondContact O-N 3.46Å; M155-L192 HydrophobicContact CE-CB 3.83Å; M155-L192 HydrophobicContact SD-CB 4.31Å; M155-T193 PolarHBondContact SD-OG1 2.8Å; M155-T193 VanDerWaalsContact SD-OG1 3.34Å; M155-R196 HydrophobicContact CE-CB 4.44Å
156	L	97.3	Very high	96.7	Very high	80 Å²	80	61.6 Å²	61.6	42%	0.419	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-94.9	-13.5	174.8	-56.2	-179	0	0	0	111.8	E153 L154 E159 K160	E153-L156 PolarHBondContact O-N 2.98Å; L154-L156 VanDerWaalsContact C-N 3.26Å; L154-L156 PolarHBondContact O-N 3.06Å; L156-E159 PolarHBondContact O-N 3.41Å; L156-K160 HydrophobicContact CB-CD 4.26Å; L156-K160 WeakPolarHBondContact O-CB 3.3Å; L156-K160 WeakPolarHBondContact O-CG 3.45Å; L156-K160 PolarHBondContact O-N 3.09Å; L156-K160 VanDerWaalsContact O-N 3.08Å
157	L	97.4	Very high	96.8	Very high	28 Å²	28	63.6 Å²	63.6	15%	0.147	32%	0.319	C	S	.	.	H	α-helix	trans	-58.6	-42.8	-176.6	-169.6	68.2	0	0	0	113.6	E153 L154 E159 K160 L161 F234 L235 N238	E153-L157 PolarHBondContact O-N 2.95Å; E153-L157 VanDerWaalsContact O-N 3.15Å; L154-L157 HydrophobicContact CD1-CD2 4.21Å; L154-L157 VanDerWaalsContact O-CB 3.27Å; L154-L157 WeakPolarHBondContact O-CB 3.41Å; L154-L157 PolarHBondContact O-N 3.36Å; L157-E159 PolarHBondContact O-N 3.21Å; L157-K160 PolarHBondContact O-N 3.31Å; L157-L161 HydrophobicContact CD1-CD1 3.88Å; L157-L161 HydrophobicContact CD1-CG 3.88Å; L157-L161 HydrophobicContact CD2-CD1 4.37Å; L157-L161 HydrophobicContact CG-CD1 3.83Å; L157-L161 HydrophobicContact CG-CG 4.16Å; L157-L161 WeakPolarHBondContact O-CB 3.49Å; L157-L161 PolarHBondContact O-N 3.47Å; L157-F234 HydrophobicContact CD2-CD1 4.48Å; L157-F234 HydrophobicContact CD2-CE1 4.04Å; L157-F234 HydrophobicContact CG-CE1 4.02Å; L157-L235 HydrophobicContact CD2-CD2 4.45Å; L157-N238 HydrophobicContact CD2-CB 3.95Å
158	P	97.8	Very high	96.9	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-58.1	-50.7	179.5	-27.2	38.8	0	0	0	112.6	I162 V185 I188 K189 L192 F234	P158-I162 VanDerWaalsContact O-CB 3.27Å; P158-I162 WeakPolarHBondContact O-CB 3.27Å; P158-I162 WeakPolarHBondContact O-CD1 3.4Å; P158-I162 VanDerWaalsContact O-CG1 3.28Å; P158-I162 WeakPolarHBondContact O-CG1 3.4Å; P158-I162 PolarHBondContact O-N 3.29Å; P158-V185 HydrophobicContact CB-CG1 3.87Å; P158-I188 HydrophobicContact CB-CB 4.28Å; P158-I188 HydrophobicContact CB-CG2 4.08Å; P158-I188 HydrophobicContact CG-CB 4.33Å; P158-I188 HydrophobicContact CG-CG2 3.75Å; P158-K189 HydrophobicContact CG-CB 4.26Å; P158-L192 HydrophobicContact CG-CD1 3.59Å; P158-F234 HydrophobicContact CB-CE1 4.46Å; P158-F234 HydrophobicContact CB-CZ 4.33Å; P158-F234 HydrophobicContact CG-CE1 4.15Å
159	E	96.9	Very high	96.9	Very high	116 Å²	116	62.1 Å²	62.1	54%	0.542	31%	0.307	S	S	.	.	H	α-helix	trans	-61.2	-48.8	179.1	-177.9	65.1	-160.2	0	0	110.8	L156 L157 L161 S163 V185	L156-E159 PolarHBondContact O-N 3.41Å; L157-E159 PolarHBondContact O-N 3.21Å; E159-L161 PolarHBondContact O-N 3.37Å; E159-S163 WeakPolarHBondContact O-CB 3.39Å; E159-S163 PolarHBondContact O-N 2.96Å; E159-V185 HydrophobicContact CB-CG1 4.06Å; E159-V185 WeakPolarHBondContact OE2-CG1 3.27Å
160	K	97.5	Very high	96.8	Very high	108 Å²	108	66.7 Å²	66.7	47%	0.47	33%	0.328	S	S	.	.	H	α-helix	trans	-60.6	-46.6	-178.5	-74.2	177.6	178.1	-176.3	0	112.4	E153 L156 L157 K164	E153-K160 IonicContact OE1-NZ 2.77Å; E153-K160 IonicContact OE2-NZ 3.6Å; E153-K160 PolarHBondContact OE2-NZ 3.11Å; L156-K160 HydrophobicContact CB-CD 4.26Å; L156-K160 WeakPolarHBondContact O-CB 3.3Å; L156-K160 WeakPolarHBondContact O-CG 3.45Å; L156-K160 PolarHBondContact O-N 3.09Å; L156-K160 VanDerWaalsContact O-N 3.08Å; L157-K160 PolarHBondContact O-N 3.31Å; K160-K164 WeakPolarHBondContact O-CB 3.26Å; K160-K164 PolarHBondContact O-N 3.35Å
161	L	97.5	Very high	96.8	Very high	14 Å²	14	62.7 Å²	62.7	7%	0.073	31%	0.309	C	S	.	.	H	α-helix	trans	-73.4	-46.8	-177.7	-74	-177.3	0	0	0	112.1	L157 E159 S163 K164 Y165 I168 F234 N238 I241	L157-L161 HydrophobicContact CD1-CD1 3.88Å; L157-L161 HydrophobicContact CD1-CG 3.88Å; L157-L161 HydrophobicContact CD2-CD1 4.37Å; L157-L161 HydrophobicContact CG-CD1 3.83Å; L157-L161 HydrophobicContact CG-CG 4.16Å; L157-L161 WeakPolarHBondContact O-CB 3.49Å; L157-L161 PolarHBondContact O-N 3.47Å; E159-L161 PolarHBondContact O-N 3.37Å; L161-S163 VanDerWaalsContact C-N 3.32Å; L161-S163 PolarHBondContact O-N 3.19Å; L161-K164 PolarHBondContact O-N 3.11Å; L161-Y165 HydrophobicContact CD2-CD2 4.09Å; L161-Y165 HydrophobicContact CD2-CE2 4.07Å; L161-Y165 WeakPolarHBondContact O-CA 3.48Å; L161-Y165 WeakPolarHBondContact O-CB 3.31Å; L161-Y165 PolarHBondContact O-N 3.45Å; L161-I168 HydrophobicContact CB-CD1 3.93Å; L161-F234 HydrophobicContact CB-CZ 4.2Å; L161-F234 HydrophobicContact CD1-CE1 4.02Å; L161-F234 HydrophobicContact CD1-CZ 3.79Å; L161-N238 HydrophobicContact CD1-CB 3.74Å; L161-N238 WeakPolarHBondContact CD1-OD1 3.41Å; L161-I241 HydrophobicContact CD2-CD1 4.44Å
162	I	96.6	Very high	96.7	Very high	5 Å²	5	63.3 Å²	63.3	3%	0.026	31%	0.308	C	S	.	.	H	α-helix	trans	-67.5	-36.7	-176.1	-67.2	166.1	0	0	0	110.7	P158 Y165 N166 I168 K169 L184 V185 F234	P158-I162 VanDerWaalsContact O-CB 3.27Å; P158-I162 WeakPolarHBondContact O-CB 3.27Å; P158-I162 WeakPolarHBondContact O-CD1 3.4Å; P158-I162 VanDerWaalsContact O-CG1 3.28Å; P158-I162 WeakPolarHBondContact O-CG1 3.4Å; P158-I162 PolarHBondContact O-N 3.29Å; I162-Y165 CarbonylContact O-C 3.57Å; I162-N166 PolarHBondContact O-N 3.21Å; I162-I168 HydrophobicContact CD1-CG2 4.43Å; I162-I168 HydrophobicContact CG1-CB 4.16Å; I162-I168 HydrophobicContact CG1-CG2 3.7Å; I162-K169 HydrophobicContact CG2-CG 3.95Å; I162-L184 HydrophobicContact CD1-CD2 4.09Å; I162-L184 HydrophobicContact CD1-CG 4.02Å; I162-V185 HydrophobicContact CB-CG2 4.11Å; I162-V185 HydrophobicContact CD1-CB 4.38Å; I162-V185 HydrophobicContact CD1-CG2 3.71Å; I162-V185 HydrophobicContact CG2-CG2 4.07Å; I162-F234 HydrophobicContact CD1-CE2 4.45Å
163	S	96.8	Very high	96.4	Very high	81 Å²	81	60.1 Å²	60.1	57%	0.566	29%	0.286	S	S	*	.	H	α-helix	trans	-65.4	-42.7	173.7	-177.1	0	0	0	0	112.2	E159 L161	E159-S163 WeakPolarHBondContact O-CB 3.39Å; E159-S163 PolarHBondContact O-N 2.96Å; L161-S163 VanDerWaalsContact C-N 3.32Å; L161-S163 PolarHBondContact O-N 3.19Å
164	K	98.1	Very high	95.8	Very high	144 Å²	144	55.9 Å²	55.9	63%	0.626	27%	0.266	S	S	*	.	H	α-helix	trans	-73.1	-35.7	179	-174.5	177.3	178.8	-162.9	0	113.2	K160 L161	K160-K164 WeakPolarHBondContact O-CB 3.26Å; K160-K164 PolarHBondContact O-N 3.35Å; L161-K164 PolarHBondContact O-N 3.11Å
165	Y	97.7	Very high	94.9	Very high	39 Å²	39	60.2 Å²	60.2	15%	0.153	29%	0.289	C	S	.	.			trans	-126	77.8	-173.3	-59.5	-70	0	0	0	109.8	L161 I162 W167 I168 I241 N245	L161-Y165 HydrophobicContact CD2-CD2 4.09Å; L161-Y165 HydrophobicContact CD2-CE2 4.07Å; L161-Y165 WeakPolarHBondContact O-CA 3.48Å; L161-Y165 WeakPolarHBondContact O-CB 3.31Å; L161-Y165 PolarHBondContact O-N 3.45Å; I162-Y165 CarbonylContact O-C 3.57Å; Y165-W167 HydrophobicContact CD1-CZ2 4.32Å; Y165-W167 AromaticContact CD1-NE1 3.75Å; Y165-W167 HydrophobicContact CG-CZ2 4.23Å; Y165-W167 PolarHBondContact O-N 3.31Å; Y165-I168 HydrophobicContact CD2-CD1 4.47Å; Y165-I168 WeakPolarHBondContact O-CB 3.46Å; Y165-I168 VanDerWaalsContact O-CG1 3.3Å; Y165-I168 WeakPolarHBondContact O-CG1 3.06Å; Y165-I168 PolarHBondContact O-N 2.98Å; Y165-I241 HydrophobicContact CD2-CD1 4.28Å; Y165-I241 HydrophobicContact CD2-CG2 4.4Å; Y165-I241 HydrophobicContact CE2-CG2 3.65Å; Y165-N245 PolarHBondContact OH-ND2 3.17Å; Y165-N245 VanDerWaalsContact OH-ND2 3.08Å
166	N	94.9	Very high	94	Very high	101 Å²	101	64 Å²	64	54%	0.54	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-54.9	-24	-176.8	-85.6	-42.5	0	0	0	114.6	I162 I168 K169	I162-N166 PolarHBondContact O-N 3.21Å; N166-I168 PolarHBondContact O-N 3.38Å; N166-K169 WeakPolarHBondContact O-CB 3.43Å; N166-K169 WeakPolarHBondContact O-CG 3.26Å; N166-K169 PolarHBondContact O-N 3.01Å; N166-K169 VanDerWaalsContact O-N 3.15Å; N166-K169 PolarHBondContact OD1-NZ 2.83Å
167	W	97.3	Very high	93	Very high	67 Å²	67	61.1 Å²	61.1	25%	0.254	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-64.6	-17.5	176.3	57.4	-104.7	0	0	0	113.2	Y165 K169 Q170 L237 I241 P269 L273	Y165-W167 HydrophobicContact CD1-CZ2 4.32Å; Y165-W167 AromaticContact CD1-NE1 3.75Å; Y165-W167 HydrophobicContact CG-CZ2 4.23Å; Y165-W167 PolarHBondContact O-N 3.31Å; W167-K169 PolarHBondContact O-N 3Å; W167-Q170 VanDerWaalsContact O-CB 3.29Å; W167-Q170 WeakPolarHBondContact O-CB 3.18Å; W167-Q170 VanDerWaalsContact O-CG 3.3Å; W167-Q170 WeakPolarHBondContact O-CG 3.49Å; W167-Q170 PolarHBondContact O-N 2.88Å; W167-Q170 VanDerWaalsContact O-N 3.09Å; W167-L237 HydrophobicContact CH2-CD1 4.03Å; W167-L237 HydrophobicContact CZ3-CD1 4.17Å; W167-L237 HydrophobicContact CZ3-CD2 4.32Å; W167-I241 HydrophobicContact CH2-CD1 3.86Å; W167-I241 HydrophobicContact CH2-CG1 4.12Å; W167-I241 HydrophobicContact CZ2-CD1 4.14Å; W167-I241 HydrophobicContact CZ2-CG1 4.32Å; W167-P269 HydrophobicContact CH2-CB 3.73Å; W167-P269 HydrophobicContact CZ2-CB 4.05Å; W167-L273 HydrophobicContact CE3-CD2 3.85Å; W167-L273 HydrophobicContact CZ3-CB 4.02Å; W167-L273 HydrophobicContact CZ3-CD2 3.73Å
168	I	98.1	Very high	91.3	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-62.1	-23.7	173.7	-61.9	177.1	0	0	0	111.1	L161 I162 Y165 N166 Q170 W171 F234 L237 I241	L161-I168 HydrophobicContact CB-CD1 3.93Å; I162-I168 HydrophobicContact CD1-CG2 4.43Å; I162-I168 HydrophobicContact CG1-CB 4.16Å; I162-I168 HydrophobicContact CG1-CG2 3.7Å; Y165-I168 HydrophobicContact CD2-CD1 4.47Å; Y165-I168 WeakPolarHBondContact O-CB 3.46Å; Y165-I168 VanDerWaalsContact O-CG1 3.3Å; Y165-I168 WeakPolarHBondContact O-CG1 3.06Å; Y165-I168 PolarHBondContact O-N 2.98Å; N166-I168 PolarHBondContact O-N 3.38Å; I168-Q170 PolarHBondContact O-N 3.2Å; I168-W171 VanDerWaalsContact O-CB 3.26Å; I168-W171 WeakPolarHBondContact O-CB 3.42Å; I168-W171 PolarHBondContact O-N 3.17Å; I168-F234 HydrophobicContact CG2-CE2 4.3Å; I168-L237 HydrophobicContact CD1-CD2 4.28Å; I168-L237 HydrophobicContact CG1-CD2 4.13Å; I168-L237 HydrophobicContact CG2-CD2 4.14Å; I168-I241 HydrophobicContact CD1-CD1 4Å
169	K	95.3	Very high	89.4	Confident	128 Å²	128	69.1 Å²	69.1	56%	0.557	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-61.5	-10	174.1	-63.9	178.4	175.3	171.3	0	114.1	I162 N166 W167 W171	I162-K169 HydrophobicContact CG2-CG 3.95Å; N166-K169 WeakPolarHBondContact O-CB 3.43Å; N166-K169 WeakPolarHBondContact O-CG 3.26Å; N166-K169 PolarHBondContact O-N 3.01Å; N166-K169 VanDerWaalsContact O-N 3.15Å; N166-K169 PolarHBondContact OD1-NZ 2.83Å; W167-K169 PolarHBondContact O-N 3Å; K169-W171 PolarHBondContact O-N 3.37Å
170	Q	94.8	Very high	87.5	Confident	95 Å²	95	67.8 Å²	67.8	44%	0.444	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-77.6	3.8	169.7	-60	168.2	8	0	0	112.7	W167 I168 K172 N278	W167-Q170 VanDerWaalsContact O-CB 3.29Å; W167-Q170 WeakPolarHBondContact O-CB 3.18Å; W167-Q170 VanDerWaalsContact O-CG 3.3Å; W167-Q170 WeakPolarHBondContact O-CG 3.49Å; W167-Q170 PolarHBondContact O-N 2.88Å; W167-Q170 VanDerWaalsContact O-N 3.09Å; I168-Q170 PolarHBondContact O-N 3.2Å; Q170-K172 PolarHBondContact O-N 3.43Å; Q170-N278 PolarHBondContact O-ND2 3.46Å
171	W	96.8	Very high	85.6	Confident	18 Å²	18	71 Å²	71	7%	0.068	37%	0.366	C	S	.	.			trans	-53.3	129.2	175.9	-170.3	-83.2	0	0	0	111.5	I168 K169 L184 I188 E230 K233 F234 L237 L273	I168-W171 VanDerWaalsContact O-CB 3.26Å; I168-W171 WeakPolarHBondContact O-CB 3.42Å; I168-W171 PolarHBondContact O-N 3.17Å; K169-W171 PolarHBondContact O-N 3.37Å; W171-L184 HydrophobicContact CB-CD1 3.89Å; W171-L184 HydrophobicContact CB-CD2 3.66Å; W171-L184 HydrophobicContact CB-CG 4.44Å; W171-L184 HydrophobicContact CG-CD1 3.91Å; W171-L184 HydrophobicContact CG-CD2 4.44Å; W171-I188 HydrophobicContact CZ2-CD1 4.33Å; W171-E230 VanDerWaalsContact CE2-OE2 3.32Å; W171-E230 WeakPolarHBondContact CZ2-OE2 3.4Å; W171-E230 PolarHBondContact NE1-OE2 3.26Å; W171-K233 HydrophobicContact CH2-CB 3.63Å; W171-K233 HydrophobicContact CZ2-CB 3.82Å; W171-F234 HydrophobicContact CE3-CD2 4.49Å; W171-F234 HydrophobicContact CH2-CB 4.04Å; W171-F234 HydrophobicContact CH2-CD2 4.41Å; W171-F234 HydrophobicContact CZ3-CB 4.49Å; W171-F234 HydrophobicContact CZ3-CD2 4.1Å; W171-L237 HydrophobicContact CE3-CD2 4.11Å; W171-L237 HydrophobicContact CZ3-CB 4.27Å; W171-L237 HydrophobicContact CZ3-CD2 3.76Å; W171-L273 HydrophobicContact CD2-CD1 4.2Å; W171-L273 HydrophobicContact CE3-CD1 3.43Å; W171-L273 VanDerWaalsContact CE3-CD1 3.43Å; W171-L273 HydrophobicContact CZ3-CD1 3.78Å
172	K	93.9	Very high	84.2	Confident	86 Å²	86	74.9 Å²	74.9	37%	0.374	38%	0.384	S	S	.	.			trans	-101.2	109.1	173.6	-170.1	-175.6	178.6	-169.4	0	108.5	Q170 N278	Q170-K172 PolarHBondContact O-N 3.43Å; K172-N278 HydrophobicContact CB-CB 3.89Å; K172-N278 PolarHBondContact N-OD1 2.96Å
173	L	90.1	Very high	83.8	Confident	28 Å²	28	78.7 Å²	78.7	15%	0.147	40%	0.404	C	S	.	.			trans	-66.4	147	176	-66.3	165	0	0	0	110.3	F177 L184 K187 H282	L173-F177 HydrophobicContact CB-CB 4.01Å; L173-F177 HydrophobicContact CD1-CB 4.39Å; L173-L184 HydrophobicContact CD2-CD1 4.25Å; L173-K187 HydrophobicContact CD1-CD 3.44Å; L173-K187 VanDerWaalsContact CD1-CD 3.44Å; L173-K187 HydrophobicContact CD2-CD 4.29Å; L173-H282 PolarHBondContact O-CE1 2.84Å; L173-H282 VanDerWaalsContact O-CE1 3.22Å; L173-H282 PolarHBondContact O-NE2 3.43Å; L173-H282 VanDerWaalsContact O-NE2 3.17Å
174	G	82.8	Confident	83.6	Confident	1 Å²	1	76 Å²	76	1%	0.01	38%	0.383	C	S	.	.			trans	-54.4	151.8	174.3	0	0	0	0	0	113.2	Y128 K176 F177 E230	Y128-G174 WeakPolarHBondContact OH-CA 3.46Å; G174-K176 PolarHBondContact O-N 3.34Å; G174-F177 PolarHBondContact O-N 3.07Å; G174-E230 PolarHBondContact N-OE1 3.42Å
175	L	77.9	Confident	83.5	Confident	107 Å²	107	69.7 Å²	69.7	56%	0.56	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-53.3	-21.8	-172.4	-64.4	172.9	0	0	0	115.3	F177 H282	L175-F177 VanDerWaalsContact C-N 3.29Å; L175-H282 VanDerWaalsContact CD2-ND1 3.32Å; L175-H282 WeakPolarHBondContact CD2-ND1 3.46Å; L175-H282 WeakPolarHBondContact CG-ND1 3.49Å
176	K	78.4	Confident	83.3	Confident	98 Å²	98	71.9 Å²	71.9	43%	0.426	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-78.9	-10.5	178.5	-68.3	-76.6	-168	152.3	0	113.6	G174 N221 Y226	G174-K176 PolarHBondContact O-N 3.34Å; K176-N221 PolarHBondContact NZ-O 2.88Å; K176-Y226 HydrophobicContact CB-CD2 4.43Å; K176-Y226 HydrophobicContact CB-CG 4.45Å; K176-Y226 HydrophobicContact CD-CE2 4.47Å; K176-Y226 HydrophobicContact CG-CD2 3.73Å; K176-Y226 HydrophobicContact CG-CE2 3.93Å; K176-Y226 HydrophobicContact CG-CG 4.03Å
177	F	76	Confident	83.3	Confident	19 Å²	19	68 Å²	68	8%	0.083	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-109.4	2.3	-177.4	-59.9	-76.6	0	0	0	113.6	L173 G174 L175 G179 E223 E230	L173-F177 HydrophobicContact CB-CB 4.01Å; L173-F177 HydrophobicContact CD1-CB 4.39Å; G174-F177 PolarHBondContact O-N 3.07Å; L175-F177 VanDerWaalsContact C-N 3.29Å; F177-G179 PolarHBondContact O-N 2.88Å; F177-E223 HydrophobicContact CD1-CG 4.37Å; F177-E223 HydrophobicContact CE1-CG 3.55Å; F177-E223 HydrophobicContact CZ-CG 3.95Å; F177-E230 HydrophobicContact CD2-CG 4.35Å; F177-E230 HydrophobicContact CE2-CG 4.06Å
178	D	61.7	Low	83.3	Confident	114 Å²	114	64.8 Å²	64.8	61%	0.61	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	124.5	176.6	-81.8	-19.5	0	0	0	110.3
179	G	57.6	Low	83.3	Confident	83 Å²	83	69 Å²	69	86%	0.856	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	105.1	-9.1	173.5	0	0	0	0	0	116.9	F177	F177-G179 PolarHBondContact O-N 2.88Å
180	K	58.1	Low	83.3	Confident	87 Å²	87	68.2 Å²	68.2	38%	0.378	35%	0.354	S	S	.	.			trans	-84.2	116.1	171.9	-63.1	-174.6	-174.2	179.3	0	109.9	E182 K187 E223	K180-E182 PolarHBondContact O-N 3.48Å; K180-K187 WeakPolarHBondContact O-CE 3.4Å; K180-K187 PolarHBondContact O-NZ 3.34Å; K180-E223 IonicContact NZ-OE1 3.51Å; K180-E223 PolarHBondContact NZ-OE1 2.9Å; K180-E223 IonicContact NZ-OE2 2.8Å; K180-E223 PolarHBondContact NZ-OE2 3.45Å
181	N	57.2	Low	83.5	Confident	175 Å²	175	64 Å²	64	94%	0.936	34%	0.336	S	S	*	.			trans	-85.6	51.9	-175.2	-152.1	18.2	0	0	0	111.9
182	E	68.1	Low	83.6	Confident	96 Å²	96	63.2 Å²	63.2	45%	0.449	33%	0.332	S	S	.	.			trans	-103.6	152.7	178.2	-66.1	157.8	177.1	0	0	110.3	K180 K187	K180-E182 PolarHBondContact O-N 3.48Å; E182-K187 HydrophobicContact CB-CD 4.44Å; E182-K187 HydrophobicContact CB-CG 4.07Å
183	D	88.6	Confident	83.8	Confident	85 Å²	85	61.8 Å²	61.8	46%	0.455	33%	0.331	S	S	.	.			trans	-61.8	141.6	178	-175.4	73.3	0	0	0	111.5	V185 D186 K187	D183-V185 VanDerWaalsContact C-N 3.27Å; D183-V185 PolarHBondContact O-N 3.27Å; D183-V185 WeakPolarHBondContact OD2-CA 3.39Å; D183-V185 WeakPolarHBondContact OD2-CB 3.4Å; D183-V185 VanDerWaalsContact OD2-CG2 3.27Å; D183-V185 WeakPolarHBondContact OD2-CG2 3.46Å; D183-V185 PolarHBondContact OD2-N 3.37Å; D183-D186 PolarHBondContact O-N 3.1Å; D183-K187 PolarHBondContact O-N 2.85Å; D183-K187 VanDerWaalsContact O-N 3.13Å
184	L	92.6	Very high	84.2	Confident	24 Å²	24	61.7 Å²	61.7	13%	0.126	33%	0.33	C	S	.	.	H	α-helix	trans	-61.1	-37.2	-178.1	177.1	64.5	0	0	0	111.8	I162 W171 L173 D186 K187 I188	I162-L184 HydrophobicContact CD1-CD2 4.09Å; I162-L184 HydrophobicContact CD1-CG 4.02Å; W171-L184 HydrophobicContact CB-CD1 3.89Å; W171-L184 HydrophobicContact CB-CD2 3.66Å; W171-L184 HydrophobicContact CB-CG 4.44Å; W171-L184 HydrophobicContact CG-CD1 3.91Å; W171-L184 HydrophobicContact CG-CD2 4.44Å; L173-L184 HydrophobicContact CD2-CD1 4.25Å; L184-D186 VanDerWaalsContact C-N 3.32Å; L184-D186 PolarHBondContact O-N 2.9Å; L184-K187 PolarHBondContact O-N 2.83Å; L184-I188 HydrophobicContact CD1-CD1 4.34Å; L184-I188 HydrophobicContact CD1-CG1 3.95Å; L184-I188 HydrophobicContact CG-CG1 4.35Å; L184-I188 VanDerWaalsContact O-CG1 3.29Å; L184-I188 WeakPolarHBondContact O-CG1 3.32Å; L184-I188 PolarHBondContact O-N 3.48Å; L184-I188 VanDerWaalsContact O-N 3.1Å
185	V	95.4	Very high	85	Confident	13 Å²	13	61.6 Å²	61.6	8%	0.079	33%	0.33	C	S	.	.	H	α-helix	trans	-59.6	-48	178.5	179.6	0	0	0	0	109.6	P158 E159 I162 D183 I188 K189	P158-V185 HydrophobicContact CB-CG1 3.87Å; E159-V185 HydrophobicContact CB-CG1 4.06Å; E159-V185 WeakPolarHBondContact OE2-CG1 3.27Å; I162-V185 HydrophobicContact CB-CG2 4.11Å; I162-V185 HydrophobicContact CD1-CB 4.38Å; I162-V185 HydrophobicContact CD1-CG2 3.71Å; I162-V185 HydrophobicContact CG2-CG2 4.07Å; D183-V185 VanDerWaalsContact C-N 3.27Å; D183-V185 PolarHBondContact O-N 3.27Å; D183-V185 WeakPolarHBondContact OD2-CA 3.39Å; D183-V185 WeakPolarHBondContact OD2-CB 3.4Å; D183-V185 VanDerWaalsContact OD2-CG2 3.27Å; D183-V185 WeakPolarHBondContact OD2-CG2 3.46Å; D183-V185 PolarHBondContact OD2-N 3.37Å; V185-I188 PolarHBondContact O-N 3.48Å; V185-K189 VanDerWaalsContact O-CB 3.26Å; V185-K189 WeakPolarHBondContact O-CB 3.47Å; V185-K189 PolarHBondContact O-N 3.43Å
186	D	94.5	Very high	85.9	Confident	84 Å²	84	60 Å²	60	45%	0.449	32%	0.317	S	S	.	.	H	α-helix	trans	-63.4	-46.9	-178	-70.9	-32.5	0	0	0	111.2	D183 L184 I188 K189 E190	D183-D186 PolarHBondContact O-N 3.1Å; L184-D186 VanDerWaalsContact C-N 3.32Å; L184-D186 PolarHBondContact O-N 2.9Å; D186-I188 PolarHBondContact O-N 2.98Å; D186-K189 CarbonylContact O-C 3.58Å; D186-K189 WeakPolarHBondContact O-CB 3.49Å; D186-K189 PolarHBondContact O-N 3.41Å; D186-K189 VanDerWaalsContact O-N 3.13Å; D186-E190 WeakPolarHBondContact O-CB 3.35Å; D186-E190 WeakPolarHBondContact O-CG 3.48Å; D186-E190 PolarHBondContact O-N 3.18Å
187	K	94.4	Very high	86.9	Confident	19 Å²	19	62.4 Å²	62.4	8%	0.083	33%	0.327	C	S	.	.	H	α-helix	trans	-59.7	-42.7	178	-69.8	-175.5	-177.5	-174.4	0	113.6	L173 K180 E182 D183 L184 S191	L173-K187 HydrophobicContact CD1-CD 3.44Å; L173-K187 VanDerWaalsContact CD1-CD 3.44Å; L173-K187 HydrophobicContact CD2-CD 4.29Å; K180-K187 WeakPolarHBondContact O-CE 3.4Å; K180-K187 PolarHBondContact O-NZ 3.34Å; E182-K187 HydrophobicContact CB-CD 4.44Å; E182-K187 HydrophobicContact CB-CG 4.07Å; D183-K187 PolarHBondContact O-N 2.85Å; D183-K187 VanDerWaalsContact O-N 3.13Å; L184-K187 PolarHBondContact O-N 2.83Å; K187-S191 WeakPolarHBondContact O-CB 3.31Å; K187-S191 PolarHBondContact O-N 3.06Å; K187-S191 PolarHBondContact O-OG 3.04Å
188	I	97.1	Very high	88	Confident	1 Å²	1	64.2 Å²	64.2	1%	0.005	34%	0.335	C	S	.	.	H	α-helix	trans	-68.6	-39.2	177.4	-63.6	-60.8	0	0	0	110.3	P158 W171 L184 V185 D186 S191 L192 F234	P158-I188 HydrophobicContact CB-CB 4.28Å; P158-I188 HydrophobicContact CB-CG2 4.08Å; P158-I188 HydrophobicContact CG-CB 4.33Å; P158-I188 HydrophobicContact CG-CG2 3.75Å; W171-I188 HydrophobicContact CZ2-CD1 4.33Å; L184-I188 HydrophobicContact CD1-CD1 4.34Å; L184-I188 HydrophobicContact CD1-CG1 3.95Å; L184-I188 HydrophobicContact CG-CG1 4.35Å; L184-I188 VanDerWaalsContact O-CG1 3.29Å; L184-I188 WeakPolarHBondContact O-CG1 3.32Å; L184-I188 PolarHBondContact O-N 3.48Å; L184-I188 VanDerWaalsContact O-N 3.1Å; V185-I188 PolarHBondContact O-N 3.48Å; D186-I188 PolarHBondContact O-N 2.98Å; I188-S191 WeakPolarHBondContact O-CB 3.3Å; I188-S191 PolarHBondContact O-N 3.33Å; I188-L192 HydrophobicContact CG2-CD1 4.08Å; I188-L192 HydrophobicContact CG2-CG 4.47Å; I188-L192 WeakPolarHBondContact O-CG 3.33Å; I188-L192 PolarHBondContact O-N 3.38Å; I188-F234 HydrophobicContact CD1-CB 4.4Å; I188-F234 HydrophobicContact CD1-CD2 4.3Å; I188-F234 HydrophobicContact CG1-CD2 4.2Å; I188-F234 HydrophobicContact CG2-CB 3.91Å; I188-F234 HydrophobicContact CG2-CD1 3.53Å; I188-F234 HydrophobicContact CG2-CD2 3.67Å; I188-F234 HydrophobicContact CG2-CE1 3.91Å; I188-F234 HydrophobicContact CG2-CE2 4.04Å; I188-F234 HydrophobicContact CG2-CG 3.4Å; I188-F234 VanDerWaalsContact CG2-CG 3.4Å; I188-F234 HydrophobicContact CG2-CZ 4.16Å
189	K	97.4	Very high	89.7	Confident	87 Å²	87	58.9 Å²	58.9	38%	0.378	31%	0.306	S	S	.	.	H	α-helix	trans	-65.4	-40.4	177	-173.5	179.3	-179.2	-176.7	0	112.3	P158 V185 D186 S191 L192 T193	P158-K189 HydrophobicContact CG-CB 4.26Å; V185-K189 VanDerWaalsContact O-CB 3.26Å; V185-K189 WeakPolarHBondContact O-CB 3.47Å; V185-K189 PolarHBondContact O-N 3.43Å; D186-K189 CarbonylContact O-C 3.58Å; D186-K189 WeakPolarHBondContact O-CB 3.49Å; D186-K189 PolarHBondContact O-N 3.41Å; D186-K189 VanDerWaalsContact O-N 3.13Å; K189-S191 VanDerWaalsContact C-N 3.34Å; K189-L192 PolarHBondContact O-N 2.86Å; K189-T193 VanDerWaalsContact O-CB 3.31Å; K189-T193 WeakPolarHBondContact O-CB 3.35Å; K189-T193 PolarHBondContact O-N 3.35Å; K189-T193 PolarHBondContact O-OG1 3.13Å
190	E	96.8	Very high	91.7	Very high	113 Å²	113	55.9 Å²	55.9	53%	0.528	27%	0.273	S	S	.	.	H	α-helix	trans	-60.7	-45.1	172.1	-74.9	179.2	179.2	0	0	110.9	D186 T193 L194	D186-E190 WeakPolarHBondContact O-CB 3.35Å; D186-E190 WeakPolarHBondContact O-CG 3.48Å; D186-E190 PolarHBondContact O-N 3.18Å; E190-T193 WeakPolarHBondContact O-CB 3.4Å; E190-T193 PolarHBondContact O-N 2.82Å; E190-L194 WeakPolarHBondContact O-CB 3.35Å; E190-L194 PolarHBondContact O-N 3.13Å
191	S	97.9	Very high	93.6	Very high	7 Å²	7	53 Å²	53	5%	0.049	27%	0.269	C	S	.	.	H	α-helix	trans	-62.2	-45.1	177.7	-61	0	0	0	0	112.7	K187 I188 K189 T193 L194 L195 S227	K187-S191 WeakPolarHBondContact O-CB 3.31Å; K187-S191 PolarHBondContact O-N 3.06Å; K187-S191 PolarHBondContact O-OG 3.04Å; I188-S191 WeakPolarHBondContact O-CB 3.3Å; I188-S191 PolarHBondContact O-N 3.33Å; K189-S191 VanDerWaalsContact C-N 3.34Å; S191-T193 VanDerWaalsContact C-N 3.33Å; S191-T193 PolarHBondContact O-N 3.01Å; S191-L194 PolarHBondContact O-N 3.23Å; S191-L195 WeakPolarHBondContact O-CB 3.38Å; S191-L195 PolarHBondContact O-N 3.19Å; S191-S227 VanDerWaalsContact CA-OG 3.27Å; S191-S227 WeakPolarHBondContact CA-OG 3.42Å; S191-S227 VanDerWaalsContact CB-O 3.31Å; S191-S227 WeakPolarHBondContact CB-O 3.29Å; S191-S227 WeakPolarHBondContact CB-OG 3.25Å; S191-S227 PolarHBondContact OG-OG 2.99Å
192	L	98.6	Very high	95.5	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.1	-38.3	174.2	-72.3	167.6	0	0	0	111.9	L154 M155 P158 I188 K189 L195 R196 A231 F234 L235	L154-L192 HydrophobicContact CD1-CD2 4.2Å; L154-L192 HydrophobicContact CD2-CD2 4.41Å; L154-L192 HydrophobicContact CG-CD2 4.32Å; M155-L192 HydrophobicContact CE-CB 3.83Å; M155-L192 HydrophobicContact SD-CB 4.31Å; P158-L192 HydrophobicContact CG-CD1 3.59Å; I188-L192 HydrophobicContact CG2-CD1 4.08Å; I188-L192 HydrophobicContact CG2-CG 4.47Å; I188-L192 WeakPolarHBondContact O-CG 3.33Å; I188-L192 PolarHBondContact O-N 3.38Å; K189-L192 PolarHBondContact O-N 2.86Å; L192-L195 PolarHBondContact O-N 2.95Å; L192-R196 WeakPolarHBondContact O-CB 3.26Å; L192-R196 PolarHBondContact O-N 3.26Å; L192-A231 HydrophobicContact CD2-CB 4.06Å; L192-A231 HydrophobicContact CG-CB 4.37Å; L192-F234 HydrophobicContact CD1-CD1 4.31Å; L192-L235 HydrophobicContact CD2-CD1 4.29Å; L192-L235 HydrophobicContact CD2-CD2 3.92Å; L192-L235 HydrophobicContact CD2-CG 4.02Å
193	T	98.4	Very high	96.9	Very high	56 Å²	56	41.5 Å²	41.5	34%	0.344	21%	0.213	S	C	.	.	H	α-helix	trans	-64.6	-43.2	176.7	-61.7	0	0	0	0	110.9	M155 K189 E190 S191 R196 K197	M155-T193 PolarHBondContact SD-OG1 2.8Å; M155-T193 VanDerWaalsContact SD-OG1 3.34Å; K189-T193 VanDerWaalsContact O-CB 3.31Å; K189-T193 WeakPolarHBondContact O-CB 3.35Å; K189-T193 PolarHBondContact O-N 3.35Å; K189-T193 PolarHBondContact O-OG1 3.13Å; E190-T193 WeakPolarHBondContact O-CB 3.4Å; E190-T193 PolarHBondContact O-N 2.82Å; S191-T193 VanDerWaalsContact C-N 3.33Å; S191-T193 PolarHBondContact O-N 3.01Å; T193-R196 PolarHBondContact O-N 3.49Å; T193-K197 VanDerWaalsContact O-CB 3.3Å; T193-K197 WeakPolarHBondContact O-CB 3.38Å; T193-K197 PolarHBondContact O-N 3.13Å
194	L	98.6	Very high	97.3	Very high	26 Å²	26	45.1 Å²	45.1	14%	0.136	23%	0.227	C	C	.	.	H	α-helix	trans	-62	-48.6	175.9	-178.1	67.2	0	0	0	110.9	E190 S191 R196 K197 K198 E224 L228	E190-L194 WeakPolarHBondContact O-CB 3.35Å; E190-L194 PolarHBondContact O-N 3.13Å; S191-L194 PolarHBondContact O-N 3.23Å; L194-R196 VanDerWaalsContact C-N 3.34Å; L194-R196 PolarHBondContact O-N 3.07Å; L194-K197 PolarHBondContact O-N 3.06Å; L194-K198 HydrophobicContact CD1-CD 4.43Å; L194-K198 HydrophobicContact CD1-CG 3.91Å; L194-K198 HydrophobicContact CG-CG 4.21Å; L194-K198 WeakPolarHBondContact O-CB 3.19Å; L194-K198 WeakPolarHBondContact O-CG 3.42Å; L194-K198 PolarHBondContact O-N 2.95Å; L194-E224 HydrophobicContact CD1-CG 4.46Å; L194-E224 HydrophobicContact CD2-CB 3.98Å; L194-E224 HydrophobicContact CD2-CG 4.16Å; L194-E224 WeakPolarHBondContact CD2-O 3.44Å; L194-L228 HydrophobicContact CD2-CD2 4.14Å; L194-L228 HydrophobicContact CG-CD2 4.06Å
195	L	98.8	Very high	97.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-54.4	-50.8	176.7	178.5	63.7	0	0	0	111.2	L135 M139 W148 L149 S191 L192 K197 W199 L228 A231 V232 L235	L135-L195 HydrophobicContact CD1-CD1 4.12Å; M139-L195 HydrophobicContact SD-CD1 4.4Å; W148-L195 HydrophobicContact CH2-CD2 4.2Å; L149-L195 HydrophobicContact CD1-CD2 4.35Å; L149-L195 HydrophobicContact CD1-CG 4.29Å; L149-L195 HydrophobicContact CD2-CG 4.43Å; S191-L195 WeakPolarHBondContact O-CB 3.38Å; S191-L195 PolarHBondContact O-N 3.19Å; L192-L195 PolarHBondContact O-N 2.95Å; L195-K197 PolarHBondContact O-N 2.81Å; L195-W199 HydrophobicContact CD1-CE3 3.9Å; L195-W199 HydrophobicContact CD1-CZ3 4.27Å; L195-W199 VanDerWaalsContact O-CB 3.3Å; L195-W199 WeakPolarHBondContact O-CB 3.31Å; L195-W199 PolarHBondContact O-N 2.79Å; L195-L228 HydrophobicContact CB-CD2 4.08Å; L195-L228 HydrophobicContact CD1-CD2 4.07Å; L195-A231 HydrophobicContact CB-CB 4.16Å; L195-A231 HydrophobicContact CD2-CB 3.97Å; L195-V232 HydrophobicContact CD2-CG2 4.32Å; L195-L235 HydrophobicContact CD2-CD1 4.15Å
196	R	98.6	Very high	97.5	Very high	74 Å²	74	57.9 Å²	57.9	28%	0.279	28%	0.276	S	S	.	.	H	α-helix	trans	-59.4	-46.5	177.1	-178.6	174	64.5	-179.5	-1.5	112.2	L145 L149 M155 L192 T193 L194 A200	L145-R196 HydrophobicContact CD2-CG 4.39Å; L149-R196 HydrophobicContact CD1-CB 3.82Å; L149-R196 HydrophobicContact CD1-CG 4.39Å; L149-R196 HydrophobicContact CG-CB 3.99Å; L149-R196 HydrophobicContact CG-CG 4.13Å; L149-R196 WeakPolarHBondContact O-CD 3.5Å; L149-R196 WeakPolarHBondContact O-CG 3.28Å; M155-R196 HydrophobicContact CE-CB 4.44Å; L192-R196 WeakPolarHBondContact O-CB 3.26Å; L192-R196 PolarHBondContact O-N 3.26Å; T193-R196 PolarHBondContact O-N 3.49Å; L194-R196 VanDerWaalsContact C-N 3.34Å; L194-R196 PolarHBondContact O-N 3.07Å; R196-A200 VanDerWaalsContact O-CB 3.26Å; R196-A200 WeakPolarHBondContact O-CB 3.34Å; R196-A200 PolarHBondContact O-N 3.49Å
197	K	98.5	Very high	97.5	Very high	148 Å²	148	57.4 Å²	57.4	64%	0.643	28%	0.276	S	S	*	.	H	α-helix	trans	-62.9	-48.6	-178.4	-179.1	-175.2	175.8	-173.3	0	111.7	T193 L194 L195 A200 G201	T193-K197 VanDerWaalsContact O-CB 3.3Å; T193-K197 WeakPolarHBondContact O-CB 3.38Å; T193-K197 PolarHBondContact O-N 3.13Å; L194-K197 PolarHBondContact O-N 3.06Å; L195-K197 PolarHBondContact O-N 2.81Å; K197-A200 PolarHBondContact O-N 3.49Å; K197-G201 PolarHBondContact O-N 3.44Å
198	K	98.6	Very high	97.4	Very high	56 Å²	56	59.5 Å²	59.5	24%	0.243	30%	0.296	C	S	.	.	H	α-helix	trans	-66.4	-42.3	-179.1	-66.3	-68.8	-173.5	165.4	0	111.1	M139 L194 G201 L202 L218 E224	M139-K198 HydrophobicContact CE-CB 3.71Å; L194-K198 HydrophobicContact CD1-CD 4.43Å; L194-K198 HydrophobicContact CD1-CG 3.91Å; L194-K198 HydrophobicContact CG-CG 4.21Å; L194-K198 WeakPolarHBondContact O-CB 3.19Å; L194-K198 WeakPolarHBondContact O-CG 3.42Å; L194-K198 PolarHBondContact O-N 2.95Å; K198-G201 PolarHBondContact O-N 2.89Å; K198-L202 WeakPolarHBondContact O-CG 3.25Å; K198-L202 PolarHBondContact O-N 3.38Å; K198-L218 HydrophobicContact CB-CD2 3.98Å; K198-L218 HydrophobicContact CD-CD1 3.88Å; K198-L218 HydrophobicContact CD-CD2 4.34Å; K198-L218 HydrophobicContact CG-CD1 4.05Å; K198-L218 HydrophobicContact CG-CD2 4.18Å; K198-E224 WeakPolarHBondContact CE-OE1 3.49Å; K198-E224 WeakPolarHBondContact CE-OE2 3.48Å; K198-E224 VanDerWaalsContact NZ-CD 3.35Å; K198-E224 IonicContact NZ-OE1 3.83Å; K198-E224 PolarHBondContact NZ-OE1 3.47Å; K198-E224 IonicContact NZ-OE2 3.58Å; K198-E224 PolarHBondContact NZ-OE2 3.12Å
199	W	98.6	Very high	97.3	Very high	2 Å²	2	66.3 Å²	66.3	1%	0.008	33%	0.328	C	S	.	.	H	α-helix	trans	-63.8	-43.5	176.5	-152.7	-52.1	0	0	0	112.2	L135 A138 M139 L145 P146 W148 L149 L195 L202 A203 H300	L135-W199 HydrophobicContact CD1-CE3 4.42Å; L135-W199 HydrophobicContact CD1-CH2 4.35Å; L135-W199 HydrophobicContact CD1-CZ3 3.64Å; A138-W199 HydrophobicContact CB-CH2 3.61Å; A138-W199 HydrophobicContact CB-CZ2 3.94Å; M139-W199 HydrophobicContact CE-CB 4.41Å; M139-W199 HydrophobicContact CG-CD2 4Å; M139-W199 HydrophobicContact CG-CE3 3.72Å; M139-W199 HydrophobicContact CG-CH2 4.26Å; M139-W199 HydrophobicContact CG-CZ2 4.49Å; M139-W199 HydrophobicContact CG-CZ3 3.87Å; M139-W199 HydrophobicContact SD-CE3 4.29Å; L145-W199 HydrophobicContact CD1-CB 3.97Å; L145-W199 HydrophobicContact CD1-CG 4.23Å; P146-W199 HydrophobicContact CG-CZ2 4.09Å; W148-W199 HydrophobicContact CZ2-CZ3 4.45Å; L149-W199 HydrophobicContact CD2-CB 3.61Å; L149-W199 HydrophobicContact CD2-CD2 3.82Å; L149-W199 HydrophobicContact CD2-CE3 3.8Å; L149-W199 HydrophobicContact CD2-CG 3.75Å; L195-W199 HydrophobicContact CD1-CE3 3.9Å; L195-W199 HydrophobicContact CD1-CZ3 4.27Å; L195-W199 VanDerWaalsContact O-CB 3.3Å; L195-W199 WeakPolarHBondContact O-CB 3.31Å; L195-W199 PolarHBondContact O-N 2.79Å; W199-L202 PolarHBondContact O-N 2.81Å; W199-A203 WeakPolarHBondContact O-CB 3.29Å; W199-A203 PolarHBondContact O-N 2.93Å; W199-H300 AromaticContact CH2-CE1 3.69Å; W199-H300 AromaticContact CZ2-CE1 3.61Å; W199-H300 AromaticContact CZ2-NE2 3.85Å
200	A	98.1	Very high	97.2	Very high	21 Å²	21	63.9 Å²	63.9	17%	0.174	33%	0.325	C	S	.	.	H	α-helix	trans	-60.7	-46.8	176.1	0	0	0	0	0	111.5	L145 R196 K197 L202 A203 E204	L145-A200 HydrophobicContact CD1-CB 4.18Å; L145-A200 HydrophobicContact CD2-CB 4.18Å; R196-A200 VanDerWaalsContact O-CB 3.26Å; R196-A200 WeakPolarHBondContact O-CB 3.34Å; R196-A200 PolarHBondContact O-N 3.49Å; K197-A200 PolarHBondContact O-N 3.49Å; A200-L202 VanDerWaalsContact C-N 3.3Å; A200-L202 PolarHBondContact O-N 2.92Å; A200-A203 PolarHBondContact O-N 3.32Å; A200-E204 WeakPolarHBondContact O-CG 3.4Å; A200-E204 PolarHBondContact O-N 3.24Å
201	G	98.1	Very high	97.2	Very high	27 Å²	27	60.4 Å²	60.4	28%	0.278	31%	0.307	S	S	.	.	H	α-helix	trans	-59.5	-38.7	177.7	0	0	0	0	0	113.1	K197 K198 M205	K197-G201 PolarHBondContact O-N 3.44Å; K198-G201 PolarHBondContact O-N 2.89Å; G201-M205 WeakPolarHBondContact O-CG 3.36Å
202	L	98.1	Very high	97.1	Very high	6 Å²	6	62.2 Å²	62.2	3%	0.031	31%	0.314	C	S	.	.	H	α-helix	trans	-68.6	-42.9	174.8	-70.3	166.9	0	0	0	112.2	M139 A142 K198 W199 A200 E204 M205 R211 A214	M139-L202 HydrophobicContact CB-CD1 3.68Å; M139-L202 HydrophobicContact CE-CD1 3.66Å; M139-L202 HydrophobicContact CG-CD1 4.44Å; A142-L202 HydrophobicContact CB-CB 4.4Å; K198-L202 WeakPolarHBondContact O-CG 3.25Å; K198-L202 PolarHBondContact O-N 3.38Å; W199-L202 PolarHBondContact O-N 2.81Å; A200-L202 VanDerWaalsContact C-N 3.3Å; A200-L202 PolarHBondContact O-N 2.92Å; L202-E204 PolarHBondContact O-N 2.98Å; L202-M205 HydrophobicContact CD2-CE 4.41Å; L202-M205 HydrophobicContact CD2-SD 4.26Å; L202-M205 WeakPolarHBondContact O-CB 3.29Å; L202-M205 PolarHBondContact O-N 3.27Å; L202-R211 HydrophobicContact CD2-CB 4.32Å; L202-R211 WeakPolarHBondContact CD2-O 3.45Å; L202-R211 VanDerWaalsContact O-CD 3.25Å; L202-R211 WeakPolarHBondContact O-CD 3.27Å; L202-R211 VanDerWaalsContact O-CG 3.29Å; L202-R211 WeakPolarHBondContact O-CG 3.3Å; L202-A214 HydrophobicContact CD2-CB 3.57Å
203	A	97.2	Very high	97	Very high	22 Å²	22	66.3 Å²	66.3	18%	0.182	34%	0.335	C	S	.	.	H	α-helix	trans	-62.7	-27.4	178.3	0	0	0	0	0	113.3	G144 W199 A200 M205	G144-A203 VanDerWaalsContact C-CB 3.43Å; W199-A203 WeakPolarHBondContact O-CB 3.29Å; W199-A203 PolarHBondContact O-N 2.93Å; A200-A203 PolarHBondContact O-N 3.32Å; A203-M205 VanDerWaalsContact C-N 3.28Å
204	E	97.3	Very high	96.9	Very high	161 Å²	161	64.5 Å²	64.5	75%	0.752	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-14.5	175.7	-72.4	173.1	-169.4	0	0	113.3	A200 L202	A200-E204 WeakPolarHBondContact O-CG 3.4Å; A200-E204 PolarHBondContact O-N 3.24Å; L202-E204 PolarHBondContact O-N 2.98Å
205	M	97.3	Very high	96.8	Very high	62 Å²	62	63.3 Å²	63.3	31%	0.305	32%	0.32	S	S	.	.			trans	-76.8	134.5	-178.1	-58.2	-169.9	178.1	0	0	112.1	G201 L202 A203 A210 R211 A214	G201-M205 WeakPolarHBondContact O-CG 3.36Å; L202-M205 HydrophobicContact CD2-CE 4.41Å; L202-M205 HydrophobicContact CD2-SD 4.26Å; L202-M205 WeakPolarHBondContact O-CB 3.29Å; L202-M205 PolarHBondContact O-N 3.27Å; A203-M205 VanDerWaalsContact C-N 3.28Å; M205-A210 HydrophobicContact CB-CB 4.31Å; M205-A210 VanDerWaalsContact SD-C 3.55Å; M205-A210 HydrophobicContact SD-CB 4.13Å; M205-A210 VanDerWaalsContact SD-O 3.4Å; M205-R211 HydrophobicContact CB-CG 3.69Å; M205-R211 HydrophobicContact CG-CG 4.35Å; M205-R211 PolarHBondContact O-NH1 2.81Å; M205-R211 HydrophobicContact SD-CG 4.26Å; M205-A214 HydrophobicContact CE-CB 3.4Å; M205-A214 VanDerWaalsContact CE-CB 3.4Å; M205-A214 HydrophobicContact SD-CB 3.73Å
206	R	93.6	Very high	96.8	Very high	244 Å²	244	65 Å²	65	92%	0.921	33%	0.329	S	S	*	.	S	Bend	trans	-72.1	-34.8	-173.2	-64.1	-176.2	-180	177.4	0	114.1
207	T	94.8	Very high	96.7	Very high	73 Å²	73	68.2 Å²	68.2	45%	0.448	35%	0.347	S	S	.	.	S	Bend	trans	-116.1	148.8	-172.7	65.7	0	0	0	0	111.4	E209 A210 R211	T207-E209 PolarHBondContact O-N 2.93Å; T207-A210 PolarHBondContact O-N 3.33Å; T207-A210 VanDerWaalsContact OG1-CB 3.29Å; T207-A210 WeakPolarHBondContact OG1-CB 3.35Å; T207-A210 PolarHBondContact OG1-N 2.86Å; T207-A210 VanDerWaalsContact OG1-N 3.17Å; T207-R211 PolarHBondContact O-N 2.68Å
208	A	93.6	Very high	96.6	Very high	63 Å²	63	61.6 Å²	61.6	52%	0.521	32%	0.319	S	S	.	.	H	α-helix	trans	-61.9	-34.6	174	0	0	0	0	0	111.9	R211 Q212	A208-R211 PolarHBondContact O-N 3.28Å; A208-Q212 WeakPolarHBondContact O-CB 3.49Å; A208-Q212 PolarHBondContact O-N 3.32Å
209	E	93.8	Very high	96.6	Very high	145 Å²	145	59 Å²	59	68%	0.678	31%	0.307	S	S	*	.	H	α-helix	trans	-63.3	-44.5	175.8	-174.4	177.9	-171.8	0	0	112.3	T207 R211 Q212 I213	T207-E209 PolarHBondContact O-N 2.93Å; E209-R211 VanDerWaalsContact C-N 3.35Å; E209-R211 PolarHBondContact O-N 3.02Å; E209-Q212 WeakPolarHBondContact O-CB 3.36Å; E209-Q212 PolarHBondContact O-N 3.48Å; E209-Q212 VanDerWaalsContact O-N 3.15Å; E209-I213 HydrophobicContact CG-CD1 4.22Å; E209-I213 WeakPolarHBondContact O-CG1 3.37Å; E209-I213 PolarHBondContact O-N 2.98Å
210	A	96.4	Very high	96.5	Very high	36 Å²	36	60 Å²	60	30%	0.298	31%	0.314	S	S	.	.	H	α-helix	trans	-63.2	-42.1	176.3	0	0	0	0	0	111.6	M205 T207 Q212 I213 A214	M205-A210 HydrophobicContact CB-CB 4.31Å; M205-A210 VanDerWaalsContact SD-C 3.55Å; M205-A210 HydrophobicContact SD-CB 4.13Å; M205-A210 VanDerWaalsContact SD-O 3.4Å; T207-A210 PolarHBondContact O-N 3.33Å; T207-A210 VanDerWaalsContact OG1-CB 3.29Å; T207-A210 WeakPolarHBondContact OG1-CB 3.35Å; T207-A210 PolarHBondContact OG1-N 2.86Å; T207-A210 VanDerWaalsContact OG1-N 3.17Å; A210-Q212 VanDerWaalsContact C-N 3.29Å; A210-Q212 PolarHBondContact O-N 3.22Å; A210-I213 PolarHBondContact O-N 3.31Å; A210-A214 WeakPolarHBondContact O-CB 3.49Å; A210-A214 PolarHBondContact O-N 3.07Å
211	R	97.1	Very high	96.3	Very high	40 Å²	40	60 Å²	60	15%	0.151	31%	0.311	C	S	.	.	H	α-helix	trans	-60.5	-40.8	173	-71	-169.4	-64.3	-89.5	4.7	111.7	S140 A142 L202 M205 T207 A208 E209 A214 C215	S140-R211 WeakPolarHBondContact O-CB 3.44Å; S140-R211 PolarHBondContact O-NE 2.82Å; A142-R211 VanDerWaalsContact O-CD 3.24Å; A142-R211 WeakPolarHBondContact O-CD 3.32Å; L202-R211 HydrophobicContact CD2-CB 4.32Å; L202-R211 WeakPolarHBondContact CD2-O 3.45Å; L202-R211 VanDerWaalsContact O-CD 3.25Å; L202-R211 WeakPolarHBondContact O-CD 3.27Å; L202-R211 VanDerWaalsContact O-CG 3.29Å; L202-R211 WeakPolarHBondContact O-CG 3.3Å; M205-R211 HydrophobicContact CB-CG 3.69Å; M205-R211 HydrophobicContact CG-CG 4.35Å; M205-R211 PolarHBondContact O-NH1 2.81Å; M205-R211 HydrophobicContact SD-CG 4.26Å; T207-R211 PolarHBondContact O-N 2.68Å; A208-R211 PolarHBondContact O-N 3.28Å; E209-R211 VanDerWaalsContact C-N 3.35Å; E209-R211 PolarHBondContact O-N 3.02Å; R211-A214 PolarHBondContact O-N 2.82Å; R211-C215 WeakPolarHBondContact O-CB 3.25Å; R211-C215 PolarHBondContact O-N 3.03Å
212	Q	95.1	Very high	96.1	Very high	44 Å²	44	64.2 Å²	64.2	21%	0.206	32%	0.323	C	S	.	.	H	α-helix	trans	-64	-46.5	179.9	-172.2	58.7	86.5	0	0	111.8	R121 A208 E209 A210 A214 C215 D216	R121-Q212 VanDerWaalsContact NH1-CD 3.26Å; A208-Q212 WeakPolarHBondContact O-CB 3.49Å; A208-Q212 PolarHBondContact O-N 3.32Å; E209-Q212 WeakPolarHBondContact O-CB 3.36Å; E209-Q212 PolarHBondContact O-N 3.48Å; E209-Q212 VanDerWaalsContact O-N 3.15Å; A210-Q212 VanDerWaalsContact C-N 3.29Å; A210-Q212 PolarHBondContact O-N 3.22Å; Q212-A214 PolarHBondContact O-N 3.36Å; Q212-C215 WeakPolarHBondContact O-CB 3.41Å; Q212-C215 PolarHBondContact O-N 2.97Å; Q212-D216 PolarHBondContact NE2-OD1 3.48Å; Q212-D216 PolarHBondContact O-N 3.15Å
213	I	95.9	Very high	95.8	Very high	86 Å²	86	67.9 Å²	67.9	44%	0.441	34%	0.341	S	S	.	.	H	α-helix	trans	-60.5	-46.1	176.5	-67.2	165.7	0	0	0	110.5	E209 A210 C215 D216 E217	E209-I213 HydrophobicContact CG-CD1 4.22Å; E209-I213 WeakPolarHBondContact O-CG1 3.37Å; E209-I213 PolarHBondContact O-N 2.98Å; A210-I213 PolarHBondContact O-N 3.31Å; I213-C215 VanDerWaalsContact C-N 3.32Å; I213-C215 PolarHBondContact O-N 3.21Å; I213-D216 WeakPolarHBondContact O-CB 3.35Å; I213-D216 PolarHBondContact O-N 3.46Å; I213-D216 VanDerWaalsContact O-N 3.09Å; I213-E217 WeakPolarHBondContact O-CG 3.35Å; I213-E217 PolarHBondContact O-N 2.86Å
214	A	97.4	Very high	95.8	Very high	19 Å²	19	70.9 Å²	70.9	16%	0.157	35%	0.351	C	S	.	.	H	α-helix	trans	-67.1	-32.3	178.7	0	0	0	0	0	113.1	L202 M205 A210 R211 Q212 L218	L202-A214 HydrophobicContact CD2-CB 3.57Å; M205-A214 HydrophobicContact CE-CB 3.4Å; M205-A214 VanDerWaalsContact CE-CB 3.4Å; M205-A214 HydrophobicContact SD-CB 3.73Å; A210-A214 WeakPolarHBondContact O-CB 3.49Å; A210-A214 PolarHBondContact O-N 3.07Å; R211-A214 PolarHBondContact O-N 2.82Å; Q212-A214 PolarHBondContact O-N 3.36Å; A214-L218 WeakPolarHBondContact O-CB 3.38Å; A214-L218 PolarHBondContact O-N 3.38Å
215	C	97	Very high	95.8	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-67	-40.2	168.7	-83.9	0	0	0	0	111.7	F136 S140 R211 Q212 I213 E217 L218 F219	F136-C215 HydrophobicContact CE2-CB 4.04Å; F136-C215 HydrophobicContact CZ-CB 4.29Å; S140-C215 VanDerWaalsContact CA-SG 3.54Å; S140-C215 PolarHBondContact N-SG 3.43Å; S140-C215 VanDerWaalsContact N-SG 3.43Å; R211-C215 WeakPolarHBondContact O-CB 3.25Å; R211-C215 PolarHBondContact O-N 3.03Å; Q212-C215 WeakPolarHBondContact O-CB 3.41Å; Q212-C215 PolarHBondContact O-N 2.97Å; I213-C215 VanDerWaalsContact C-N 3.32Å; I213-C215 PolarHBondContact O-N 3.21Å; C215-E217 VanDerWaalsContact C-N 3.3Å; C215-E217 PolarHBondContact O-N 3.23Å; C215-L218 PolarHBondContact O-N 2.76Å; C215-L218 VanDerWaalsContact O-N 3.11Å; C215-F219 VanDerWaalsContact O-CD2 3.31Å; C215-F219 WeakPolarHBondContact O-CD2 3.4Å; C215-F219 PolarHBondContact O-N 3.08Å
216	D	96.8	Very high	95.8	Very high	37 Å²	37	61.1 Å²	61.1	20%	0.198	30%	0.304	C	S	.	.	H	α-helix	trans	-62.3	-40.3	176.7	-66.3	-22.4	0	0	0	111.3	L80 R121 F136 Q212 I213 L218 F219 T220	L80-D216 HydrophobicContact CD2-CB 4.17Å; L80-D216 WeakPolarHBondContact CD2-O 3.32Å; R121-D216 IonicContact CZ-OD1 3.45Å; R121-D216 IonicContact NH1-OD1 2.89Å; R121-D216 PolarHBondContact NH1-OD1 2.88Å; R121-D216 IonicContact NH1-OD2 2.99Å; R121-D216 PolarHBondContact NH1-OD2 3.34Å; R121-D216 IonicContact NH2-OD1 3.84Å; R121-D216 PolarHBondContact NH2-OD1 3.33Å; R121-D216 IonicContact NH2-OD2 2.62Å; F136-D216 WeakPolarHBondContact CZ-OD1 3.44Å; Q212-D216 PolarHBondContact NE2-OD1 3.48Å; Q212-D216 PolarHBondContact O-N 3.15Å; I213-D216 WeakPolarHBondContact O-CB 3.35Å; I213-D216 PolarHBondContact O-N 3.46Å; I213-D216 VanDerWaalsContact O-N 3.09Å; D216-L218 VanDerWaalsContact C-N 3.27Å; D216-L218 PolarHBondContact O-N 3.03Å; D216-F219 PolarHBondContact O-N 2.87Å; D216-T220 VanDerWaalsContact O-CG2 3.26Å; D216-T220 WeakPolarHBondContact O-CG2 3.4Å
217	E	96.8	Very high	96	Very high	141 Å²	141	50 Å²	50	66%	0.659	26%	0.263	S	S	*	.	H	α-helix	trans	-67.8	-23.4	174.6	-69.8	176	176.7	0	0	113.8	I213 C215 T220	I213-E217 WeakPolarHBondContact O-CG 3.35Å; I213-E217 PolarHBondContact O-N 2.86Å; C215-E217 VanDerWaalsContact C-N 3.3Å; C215-E217 PolarHBondContact O-N 3.23Å; E217-T220 WeakPolarHBondContact O-CG2 3.43Å
218	L	97.8	Very high	96.2	Very high	8 Å²	8	46.5 Å²	46.5	4%	0.042	24%	0.242	C	C	.	.	H	α-helix	trans	-85.5	-35.2	178	-179.3	58.3	0	0	0	112.2	M139 K198 A214 C215 D216 T220 E224 L228	M139-L218 HydrophobicContact CE-CD2 3.64Å; M139-L218 HydrophobicContact SD-CD2 4.33Å; K198-L218 HydrophobicContact CB-CD2 3.98Å; K198-L218 HydrophobicContact CD-CD1 3.88Å; K198-L218 HydrophobicContact CD-CD2 4.34Å; K198-L218 HydrophobicContact CG-CD1 4.05Å; K198-L218 HydrophobicContact CG-CD2 4.18Å; A214-L218 WeakPolarHBondContact O-CB 3.38Å; A214-L218 PolarHBondContact O-N 3.38Å; C215-L218 PolarHBondContact O-N 2.76Å; C215-L218 VanDerWaalsContact O-N 3.11Å; D216-L218 VanDerWaalsContact C-N 3.27Å; D216-L218 PolarHBondContact O-N 3.03Å; L218-T220 PolarHBondContact O-N 3.49Å; L218-E224 HydrophobicContact CD1-CB 4.23Å; L218-L228 HydrophobicContact CD1-CD1 4.19Å; L218-L228 HydrophobicContact CD2-CD1 3.81Å; L218-L228 HydrophobicContact CG-CD1 4.02Å
219	F	98.1	Very high	96.5	Very high	1 Å²	1	43.5 Å²	43.5	0%	0.004	22%	0.217	C	C	.	.			trans	-98.3	61.2	-175.3	-76	-98.1	0	0	0	111.4	L80 S81 R132 L135 F136 M139 C215 D216 E225 L228 Y229	L80-F219 WeakPolarHBondContact CA-O 3.3Å; S81-F219 PolarHBondContact N-O 3.37Å; S81-F219 PolarHBondContact OG-O 3.1Å; R132-F219 HydrophobicContact CG-CD1 3.95Å; R132-F219 HydrophobicContact CG-CE1 4.08Å; L135-F219 HydrophobicContact CB-CZ 4.25Å; L135-F219 HydrophobicContact CD2-CZ 4.18Å; L135-F219 HydrophobicContact CG-CZ 4.12Å; F136-F219 HydrophobicContact CB-CE1 4.18Å; F136-F219 HydrophobicContact CB-CE2 4.37Å; F136-F219 HydrophobicContact CB-CZ 4.09Å; F136-F219 HydrophobicContact CD2-CB 3.96Å; F136-F219 HydrophobicContact CD2-CD1 4.04Å; F136-F219 AromaticContact CD2-CD2 3.55Å; F136-F219 HydrophobicContact CD2-CD2 3.55Å; F136-F219 HydrophobicContact CD2-CE1 4.4Å; F136-F219 AromaticContact CD2-CE2 3.95Å; F136-F219 HydrophobicContact CD2-CE2 3.95Å; F136-F219 AromaticContact CD2-CG 3.58Å; F136-F219 HydrophobicContact CD2-CG 3.58Å; F136-F219 HydrophobicContact CD2-CZ 4.36Å; F136-F219 HydrophobicContact CE2-CB 4.11Å; F136-F219 HydrophobicContact CE2-CD2 4.13Å; F136-F219 HydrophobicContact CE2-CG 4.18Å; M139-F219 HydrophobicContact SD-CE2 4.44Å; C215-F219 VanDerWaalsContact O-CD2 3.31Å; C215-F219 WeakPolarHBondContact O-CD2 3.4Å; C215-F219 PolarHBondContact O-N 3.08Å; D216-F219 PolarHBondContact O-N 2.87Å; F219-E225 VanDerWaalsContact CA-OE2 3.29Å; F219-E225 WeakPolarHBondContact CA-OE2 3.26Å; F219-E225 HydrophobicContact CD1-CG 3.81Å; F219-E225 HydrophobicContact CE1-CG 4.27Å; F219-E225 HydrophobicContact CG-CG 4.38Å; F219-L228 HydrophobicContact CZ-CD1 4.4Å; F219-Y229 HydrophobicContact CE1-CE1 4.29Å
220	T	96.3	Very high	96.7	Very high	24 Å²	24	36.7 Å²	36.7	15%	0.147	19%	0.185	C	C	.	.	S	Bend	trans	-109.6	17.2	-175.1	61.5	0	0	0	0	113.7	P78 R79 L80 D216 E217 L218 E222 E225	P78-T220 HydrophobicContact CB-CG2 4.42Å; R79-T220 CarbonylContact O-C 3.37Å; L80-T220 HydrophobicContact CD2-CG2 4.28Å; D216-T220 VanDerWaalsContact O-CG2 3.26Å; D216-T220 WeakPolarHBondContact O-CG2 3.4Å; E217-T220 WeakPolarHBondContact O-CG2 3.43Å; L218-T220 PolarHBondContact O-N 3.49Å; T220-E222 PolarHBondContact O-N 2.93Å; T220-E222 WeakPolarHBondContact OG1-CG 3.41Å; T220-E225 PolarHBondContact N-OE2 2.71Å
221	N	93.7	Very high	96.8	Very high	21 Å²	21	35 Å²	35	11%	0.112	17%	0.171	C	C	.	.	S	Bend	trans	64.9	25.6	-178.4	-167.6	20.2	0	0	0	114.2	R79 R124 K176 E225 Y226	R79-N221 WeakPolarHBondContact O-CB 3.33Å; R124-N221 PolarHBondContact NH1-ND2 3.48Å; R124-N221 PolarHBondContact NH1-OD1 2.94Å; K176-N221 PolarHBondContact NZ-O 2.88Å; N221-E225 WeakPolarHBondContact CA-OE2 3.29Å; N221-E225 PolarHBondContact N-OE2 3.36Å; N221-Y226 VanDerWaalsContact OD1-CE2 3.25Å; N221-Y226 WeakPolarHBondContact OD1-CE2 3.27Å; N221-Y226 VanDerWaalsContact OD1-CZ 3.27Å; N221-Y226 PolarHBondContact OD1-OH 3.42Å
222	E	93.2	Very high	96.9	Very high	115 Å²	115	33.2 Å²	33.2	54%	0.537	17%	0.165	S	C	.	.	S	Bend	trans	-105.1	171.7	179	-65.4	-54.4	149	0	0	112.7	T220 E224 E225 Y226	T220-E222 PolarHBondContact O-N 2.93Å; T220-E222 WeakPolarHBondContact OG1-CG 3.41Å; E222-E224 VanDerWaalsContact C-N 3.27Å; E222-E224 PolarHBondContact O-N 2.88Å; E222-E224 VanDerWaalsContact O-N 3.16Å; E222-E225 WeakPolarHBondContact O-CB 3.28Å; E222-E225 PolarHBondContact O-N 3.17Å; E222-Y226 VanDerWaalsContact O-CD2 3.31Å; E222-Y226 WeakPolarHBondContact O-CD2 3.47Å; E222-Y226 PolarHBondContact O-N 3.16Å
223	E	93.6	Very high	97	Very high	84 Å²	84	31.1 Å²	31.1	39%	0.393	16%	0.155	S	C	.	.	H	α-helix	trans	-52	-40.5	-171.6	-170.5	177.9	162	0	0	113.7	F177 K180 E225 Y226 S227	F177-E223 HydrophobicContact CD1-CG 4.37Å; F177-E223 HydrophobicContact CE1-CG 3.55Å; F177-E223 HydrophobicContact CZ-CG 3.95Å; K180-E223 IonicContact NZ-OE1 3.51Å; K180-E223 PolarHBondContact NZ-OE1 2.9Å; K180-E223 IonicContact NZ-OE2 2.8Å; K180-E223 PolarHBondContact NZ-OE2 3.45Å; E223-E225 VanDerWaalsContact C-N 3.34Å; E223-E225 PolarHBondContact O-N 2.93Å; E223-Y226 PolarHBondContact O-N 3.19Å; E223-S227 WeakPolarHBondContact O-CB 3.37Å; E223-S227 PolarHBondContact O-N 2.96Å
224	E	96.4	Very high	97.2	Very high	85 Å²	85	27.1 Å²	27.1	40%	0.397	13%	0.134	S	C	.	.	H	α-helix	trans	-58.1	-45.2	178.5	-71.6	-165.3	148	0	0	111.9	L194 K198 L218 E222 Y226 S227 L228	L194-E224 HydrophobicContact CD1-CG 4.46Å; L194-E224 HydrophobicContact CD2-CB 3.98Å; L194-E224 HydrophobicContact CD2-CG 4.16Å; L194-E224 WeakPolarHBondContact CD2-O 3.44Å; K198-E224 WeakPolarHBondContact CE-OE1 3.49Å; K198-E224 WeakPolarHBondContact CE-OE2 3.48Å; K198-E224 VanDerWaalsContact NZ-CD 3.35Å; K198-E224 IonicContact NZ-OE1 3.83Å; K198-E224 PolarHBondContact NZ-OE1 3.47Å; K198-E224 IonicContact NZ-OE2 3.58Å; K198-E224 PolarHBondContact NZ-OE2 3.12Å; L218-E224 HydrophobicContact CD1-CB 4.23Å; E222-E224 VanDerWaalsContact C-N 3.27Å; E222-E224 PolarHBondContact O-N 2.88Å; E222-E224 VanDerWaalsContact O-N 3.16Å; E224-Y226 VanDerWaalsContact C-N 3.35Å; E224-Y226 PolarHBondContact O-N 3.21Å; E224-S227 WeakPolarHBondContact O-CB 3.36Å; E224-S227 PolarHBondContact O-N 3.22Å; E224-L228 WeakPolarHBondContact O-CG 3.33Å; E224-L228 PolarHBondContact O-N 3.17Å
225	E	97.9	Very high	97.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-57.2	-48.8	178.8	-173.9	-169	131.4	0	0	111	S81 R132 F219 T220 N221 E222 E223 S227 L228 Y229	S81-E225 WeakPolarHBondContact CB-OE1 3.31Å; S81-E225 VanDerWaalsContact CB-OE2 3.27Å; S81-E225 WeakPolarHBondContact CB-OE2 3.5Å; S81-E225 PolarHBondContact OG-OE1 3.2Å; S81-E225 VanDerWaalsContact OG-OE1 3.06Å; S81-E225 PolarHBondContact OG-OE2 3.5Å; R132-E225 IonicContact CZ-OE1 3.39Å; R132-E225 VanDerWaalsContact CZ-OE1 3.28Å; R132-E225 IonicContact NE-OE1 2.93Å; R132-E225 PolarHBondContact NE-OE1 3.46Å; R132-E225 IonicContact NH2-OE1 3.73Å; R132-E225 PolarHBondContact NH2-OE1 2.89Å; F219-E225 VanDerWaalsContact CA-OE2 3.29Å; F219-E225 WeakPolarHBondContact CA-OE2 3.26Å; F219-E225 HydrophobicContact CD1-CG 3.81Å; F219-E225 HydrophobicContact CE1-CG 4.27Å; F219-E225 HydrophobicContact CG-CG 4.38Å; T220-E225 PolarHBondContact N-OE2 2.71Å; N221-E225 WeakPolarHBondContact CA-OE2 3.29Å; N221-E225 PolarHBondContact N-OE2 3.36Å; E222-E225 WeakPolarHBondContact O-CB 3.28Å; E222-E225 PolarHBondContact O-N 3.17Å; E223-E225 VanDerWaalsContact C-N 3.34Å; E223-E225 PolarHBondContact O-N 2.93Å; E225-S227 VanDerWaalsContact C-N 3.31Å; E225-S227 PolarHBondContact O-N 3.27Å; E225-L228 WeakPolarHBondContact O-CB 3.13Å; E225-L228 PolarHBondContact O-N 2.95Å; E225-Y229 HydrophobicContact CG-CE2 3.81Å; E225-Y229 WeakPolarHBondContact CG-OH 3.22Å; E225-Y229 WeakPolarHBondContact OE1-CE2 3.32Å; E225-Y229 PolarHBondContact OE1-OH 3.5Å
226	Y	97.3	Very high	97.3	Very high	17 Å²	17	26.6 Å²	26.6	7%	0.067	13%	0.129	C	C	.	.	H	α-helix	trans	-69.3	-30.1	-178.7	-69.6	-83.7	0	0	0	113	R124 Y128 K176 N221 E222 E223 E224 L228 Y229 E230	R124-Y226 PolarHBondContact NH1-OH 3.44Å; Y128-Y226 AromaticContact CD2-CD1 3.93Å; Y128-Y226 HydrophobicContact CD2-CD1 3.93Å; Y128-Y226 AromaticContact CD2-CE1 3.66Å; Y128-Y226 HydrophobicContact CD2-CE1 3.66Å; Y128-Y226 AromaticContact CE2-CD1 3.57Å; Y128-Y226 HydrophobicContact CE2-CD1 3.57Å; Y128-Y226 AromaticContact CE2-CE1 3.6Å; Y128-Y226 HydrophobicContact CE2-CE1 3.6Å; K176-Y226 HydrophobicContact CB-CD2 4.43Å; K176-Y226 HydrophobicContact CB-CG 4.45Å; K176-Y226 HydrophobicContact CD-CE2 4.47Å; K176-Y226 HydrophobicContact CG-CD2 3.73Å; K176-Y226 HydrophobicContact CG-CE2 3.93Å; K176-Y226 HydrophobicContact CG-CG 4.03Å; N221-Y226 VanDerWaalsContact OD1-CE2 3.25Å; N221-Y226 WeakPolarHBondContact OD1-CE2 3.27Å; N221-Y226 VanDerWaalsContact OD1-CZ 3.27Å; N221-Y226 PolarHBondContact OD1-OH 3.42Å; E222-Y226 VanDerWaalsContact O-CD2 3.31Å; E222-Y226 WeakPolarHBondContact O-CD2 3.47Å; E222-Y226 PolarHBondContact O-N 3.16Å; E223-Y226 PolarHBondContact O-N 3.19Å; E224-Y226 VanDerWaalsContact C-N 3.35Å; E224-Y226 PolarHBondContact O-N 3.21Å; Y226-L228 VanDerWaalsContact C-N 3.26Å; Y226-L228 PolarHBondContact O-N 3.15Å; Y226-Y229 AromaticContact CD1-CD2 3.9Å; Y226-Y229 HydrophobicContact CD1-CD2 3.9Å; Y226-Y229 HydrophobicContact CD1-CE2 4.1Å; Y226-Y229 HydrophobicContact CE1-CE2 4.43Å; Y226-Y229 HydrophobicContact CG-CD2 4.41Å; Y226-Y229 PolarHBondContact O-N 2.86Å; Y226-Y229 VanDerWaalsContact O-N 3.16Å; Y226-E230 PolarHBondContact O-N 3.44Å
227	S	97.8	Very high	97.4	Very high	11 Å²	11	24.8 Å²	24.8	8%	0.077	12%	0.119	C	C	.	.	H	α-helix	trans	-63.6	-35.8	174.3	177.3	0	0	0	0	110.8	S191 E223 E224 E225 Y229 E230 A231	S191-S227 VanDerWaalsContact CA-OG 3.27Å; S191-S227 WeakPolarHBondContact CA-OG 3.42Å; S191-S227 VanDerWaalsContact CB-O 3.31Å; S191-S227 WeakPolarHBondContact CB-O 3.29Å; S191-S227 WeakPolarHBondContact CB-OG 3.25Å; S191-S227 PolarHBondContact OG-OG 2.99Å; E223-S227 WeakPolarHBondContact O-CB 3.37Å; E223-S227 PolarHBondContact O-N 2.96Å; E224-S227 WeakPolarHBondContact O-CB 3.36Å; E224-S227 PolarHBondContact O-N 3.22Å; E225-S227 VanDerWaalsContact C-N 3.31Å; E225-S227 PolarHBondContact O-N 3.27Å; S227-Y229 VanDerWaalsContact C-N 3.28Å; S227-Y229 PolarHBondContact O-N 3.38Å; S227-E230 PolarHBondContact O-N 2.85Å; S227-A231 PolarHBondContact O-N 3.17Å; S227-A231 VanDerWaalsContact O-N 3.07Å
228	L	98.7	Very high	97.5	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-61.4	-37.8	173.7	-53.4	176.9	0	0	0	112.2	L135 M139 L194 L195 L218 F219 E224 E225 Y226 A231 V232	L135-L228 HydrophobicContact CD2-CB 3.57Å; L135-L228 HydrophobicContact CD2-CD1 3.93Å; L135-L228 HydrophobicContact CD2-CG 4.35Å; M139-L228 HydrophobicContact SD-CD1 4.2Å; L194-L228 HydrophobicContact CD2-CD2 4.14Å; L194-L228 HydrophobicContact CG-CD2 4.06Å; L195-L228 HydrophobicContact CB-CD2 4.08Å; L195-L228 HydrophobicContact CD1-CD2 4.07Å; L218-L228 HydrophobicContact CD1-CD1 4.19Å; L218-L228 HydrophobicContact CD2-CD1 3.81Å; L218-L228 HydrophobicContact CG-CD1 4.02Å; F219-L228 HydrophobicContact CZ-CD1 4.4Å; E224-L228 WeakPolarHBondContact O-CG 3.33Å; E224-L228 PolarHBondContact O-N 3.17Å; E225-L228 WeakPolarHBondContact O-CB 3.13Å; E225-L228 PolarHBondContact O-N 2.95Å; Y226-L228 VanDerWaalsContact C-N 3.26Å; Y226-L228 PolarHBondContact O-N 3.15Å; L228-A231 WeakPolarHBondContact O-CB 3.33Å; L228-A231 PolarHBondContact O-N 3.47Å; L228-V232 WeakPolarHBondContact O-CG2 3.29Å; L228-V232 PolarHBondContact O-N 2.74Å
229	Y	98.6	Very high	97.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-68	-38.3	178.3	-53.3	-36.1	0	0	0	112.2	Y128 L131 R132 L135 F219 E225 Y226 S227 A231 V232 K233	Y128-Y229 AromaticContact CD1-CD2 3.36Å; Y128-Y229 HydrophobicContact CD1-CD2 3.36Å; Y128-Y229 HydrophobicContact CD1-CE2 4.22Å; Y128-Y229 AromaticContact CD1-CG 3.57Å; Y128-Y229 HydrophobicContact CD1-CG 3.57Å; Y128-Y229 HydrophobicContact CD2-CD2 4.09Å; Y128-Y229 HydrophobicContact CD2-CE2 4.44Å; Y128-Y229 AromaticContact CE1-CD2 3.8Å; Y128-Y229 HydrophobicContact CE1-CD2 3.8Å; Y128-Y229 AromaticContact CE1-CG 4Å; Y128-Y229 HydrophobicContact CE1-CG 4Å; Y128-Y229 HydrophobicContact CE2-CD2 4.45Å; Y128-Y229 AromaticContact CG-CD2 3.52Å; Y128-Y229 HydrophobicContact CG-CD2 3.52Å; Y128-Y229 AromaticContact CG-CE2 3.95Å; Y128-Y229 HydrophobicContact CG-CE2 3.95Å; Y128-Y229 HydrophobicContact CG-CG 4.15Å; L131-Y229 HydrophobicContact CB-CD1 3.98Å; L131-Y229 HydrophobicContact CB-CE1 4.38Å; R132-Y229 HydrophobicContact CB-CE1 4.21Å; R132-Y229 WeakPolarHBondContact CB-OH 3.15Å; R132-Y229 VanDerWaalsContact CG-OH 3.28Å; R132-Y229 WeakPolarHBondContact CG-OH 3.26Å; R132-Y229 PolarHBondContact NE-OH 3.02Å; L135-Y229 HydrophobicContact CD2-CD1 4.47Å; L135-Y229 HydrophobicContact CD2-CE1 4.39Å; F219-Y229 HydrophobicContact CE1-CE1 4.29Å; E225-Y229 HydrophobicContact CG-CE2 3.81Å; E225-Y229 WeakPolarHBondContact CG-OH 3.22Å; E225-Y229 WeakPolarHBondContact OE1-CE2 3.32Å; E225-Y229 PolarHBondContact OE1-OH 3.5Å; Y226-Y229 AromaticContact CD1-CD2 3.9Å; Y226-Y229 HydrophobicContact CD1-CD2 3.9Å; Y226-Y229 HydrophobicContact CD1-CE2 4.1Å; Y226-Y229 HydrophobicContact CE1-CE2 4.43Å; Y226-Y229 HydrophobicContact CG-CD2 4.41Å; Y226-Y229 PolarHBondContact O-N 2.86Å; Y226-Y229 VanDerWaalsContact O-N 3.16Å; S227-Y229 VanDerWaalsContact C-N 3.28Å; S227-Y229 PolarHBondContact O-N 3.38Å; Y229-A231 VanDerWaalsContact C-N 3.32Å; Y229-A231 PolarHBondContact O-N 3.42Å; Y229-V232 PolarHBondContact O-N 3.03Å; Y229-K233 WeakPolarHBondContact O-CB 3.12Å; Y229-K233 VanDerWaalsContact O-CG 3.26Å; Y229-K233 WeakPolarHBondContact O-CG 3.25Å; Y229-K233 PolarHBondContact O-N 2.64Å
230	E	98.3	Very high	97.6	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.009	10%	0.1	C	C	.	.	H	α-helix	trans	-63	-40.6	174.1	-65.8	-59.7	132.1	0	0	111.3	W171 G174 F177 Y226 S227 K233 F234	W171-E230 VanDerWaalsContact CE2-OE2 3.32Å; W171-E230 WeakPolarHBondContact CZ2-OE2 3.4Å; W171-E230 PolarHBondContact NE1-OE2 3.26Å; G174-E230 PolarHBondContact N-OE1 3.42Å; F177-E230 HydrophobicContact CD2-CG 4.35Å; F177-E230 HydrophobicContact CE2-CG 4.06Å; Y226-E230 PolarHBondContact O-N 3.44Å; S227-E230 PolarHBondContact O-N 2.85Å; E230-K233 IonicContact OE1-NZ 3.16Å; E230-K233 PolarHBondContact OE1-NZ 3.42Å; E230-K233 IonicContact OE2-NZ 2.95Å; E230-F234 WeakPolarHBondContact O-CB 3.13Å; E230-F234 PolarHBondContact O-N 3.29Å
231	A	98.7	Very high	97.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-59	-50.3	172.5	0	0	0	0	0	111.8	L192 L195 S227 L228 Y229 F234 L235	L192-A231 HydrophobicContact CD2-CB 4.06Å; L192-A231 HydrophobicContact CG-CB 4.37Å; L195-A231 HydrophobicContact CB-CB 4.16Å; L195-A231 HydrophobicContact CD2-CB 3.97Å; S227-A231 PolarHBondContact O-N 3.17Å; S227-A231 VanDerWaalsContact O-N 3.07Å; L228-A231 WeakPolarHBondContact O-CB 3.33Å; L228-A231 PolarHBondContact O-N 3.47Å; Y229-A231 VanDerWaalsContact C-N 3.32Å; Y229-A231 PolarHBondContact O-N 3.42Å; A231-F234 PolarHBondContact O-N 3.02Å; A231-L235 WeakPolarHBondContact O-CG 3.37Å; A231-L235 PolarHBondContact O-N 2.92Å
232	V	98.8	Very high	98	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.018	11%	0.105	C	C	.	.	H	α-helix	trans	-66.4	-43.5	-178.4	175.6	0	0	0	0	111.8	L131 L135 L195 L228 Y229 F234 L235 M236 L294 V298	L131-V232 HydrophobicContact CD2-CB 4.46Å; L131-V232 HydrophobicContact CD2-CG1 3.7Å; L135-V232 HydrophobicContact CD1-CG2 4.28Å; L135-V232 HydrophobicContact CD2-CG2 4.38Å; L195-V232 HydrophobicContact CD2-CG2 4.32Å; L228-V232 WeakPolarHBondContact O-CG2 3.29Å; L228-V232 PolarHBondContact O-N 2.74Å; Y229-V232 PolarHBondContact O-N 3.03Å; V232-F234 PolarHBondContact O-N 3.29Å; V232-L235 WeakPolarHBondContact O-CB 3.45Å; V232-L235 PolarHBondContact O-N 3.28Å; V232-L235 VanDerWaalsContact O-N 3.14Å; V232-M236 HydrophobicContact CG1-SD 4.33Å; V232-M236 WeakPolarHBondContact O-CG 3.37Å; V232-M236 PolarHBondContact O-N 3.47Å; V232-L294 HydrophobicContact CG1-CD1 3.43Å; V232-L294 VanDerWaalsContact CG1-CD1 3.43Å; V232-V298 HydrophobicContact CG1-CG1 3.96Å; V232-V298 HydrophobicContact CG2-CG1 4.25Å
233	K	98.8	Very high	98.3	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-56.6	-39.7	173.6	-74.5	166	55.6	-175.8	0	110.9	Y128 L131 W171 Y229 E230 M236 L237 L277 V280	Y128-K233 HydrophobicContact CE1-CD 4.25Å; L131-K233 HydrophobicContact CD1-CD 4.3Å; L131-K233 HydrophobicContact CD1-CG 3.92Å; W171-K233 HydrophobicContact CH2-CB 3.63Å; W171-K233 HydrophobicContact CZ2-CB 3.82Å; Y229-K233 WeakPolarHBondContact O-CB 3.12Å; Y229-K233 VanDerWaalsContact O-CG 3.26Å; Y229-K233 WeakPolarHBondContact O-CG 3.25Å; Y229-K233 PolarHBondContact O-N 2.64Å; E230-K233 IonicContact OE1-NZ 3.16Å; E230-K233 PolarHBondContact OE1-NZ 3.42Å; E230-K233 IonicContact OE2-NZ 2.95Å; K233-M236 WeakPolarHBondContact O-CB 3.49Å; K233-M236 PolarHBondContact O-N 3.05Å; K233-L237 PolarHBondContact O-N 2.9Å; K233-L277 WeakPolarHBondContact CE-O 3.25Å; K233-L277 PolarHBondContact NZ-O 3.43Å; K233-V280 HydrophobicContact CD-CB 4.35Å; K233-V280 HydrophobicContact CD-CG1 4.24Å; K233-V280 PolarHBondContact NZ-O 3.23Å
234	F	98.8	Very high	98.5	Very high	1 Å²	1	15.9 Å²	15.9	0%	0.004	7%	0.072	C	C	.	.	H	α-helix	trans	-68.8	-38.9	178.9	-172.3	-97.2	0	0	0	112	L157 P158 L161 I162 I168 W171 I188 L192 E230 A231 V232 M236 L237 N238	L157-F234 HydrophobicContact CD2-CD1 4.48Å; L157-F234 HydrophobicContact CD2-CE1 4.04Å; L157-F234 HydrophobicContact CG-CE1 4.02Å; P158-F234 HydrophobicContact CB-CE1 4.46Å; P158-F234 HydrophobicContact CB-CZ 4.33Å; P158-F234 HydrophobicContact CG-CE1 4.15Å; L161-F234 HydrophobicContact CB-CZ 4.2Å; L161-F234 HydrophobicContact CD1-CE1 4.02Å; L161-F234 HydrophobicContact CD1-CZ 3.79Å; I162-F234 HydrophobicContact CD1-CE2 4.45Å; I168-F234 HydrophobicContact CG2-CE2 4.3Å; W171-F234 HydrophobicContact CE3-CD2 4.49Å; W171-F234 HydrophobicContact CH2-CB 4.04Å; W171-F234 HydrophobicContact CH2-CD2 4.41Å; W171-F234 HydrophobicContact CZ3-CB 4.49Å; W171-F234 HydrophobicContact CZ3-CD2 4.1Å; I188-F234 HydrophobicContact CD1-CB 4.4Å; I188-F234 HydrophobicContact CD1-CD2 4.3Å; I188-F234 HydrophobicContact CG1-CD2 4.2Å; I188-F234 HydrophobicContact CG2-CB 3.91Å; I188-F234 HydrophobicContact CG2-CD1 3.53Å; I188-F234 HydrophobicContact CG2-CD2 3.67Å; I188-F234 HydrophobicContact CG2-CE1 3.91Å; I188-F234 HydrophobicContact CG2-CE2 4.04Å; I188-F234 HydrophobicContact CG2-CG 3.4Å; I188-F234 VanDerWaalsContact CG2-CG 3.4Å; I188-F234 HydrophobicContact CG2-CZ 4.16Å; L192-F234 HydrophobicContact CD1-CD1 4.31Å; E230-F234 WeakPolarHBondContact O-CB 3.13Å; E230-F234 PolarHBondContact O-N 3.29Å; A231-F234 PolarHBondContact O-N 3.02Å; V232-F234 PolarHBondContact O-N 3.29Å; F234-M236 VanDerWaalsContact C-N 3.32Å; F234-M236 PolarHBondContact O-N 3.14Å; F234-L237 PolarHBondContact O-N 3.29Å; F234-N238 PolarHBondContact O-N 2.62Å
235	L	98.9	Very high	98.6	Very high	8 Å²	8	13.7 Å²	13.7	4%	0.042	6%	0.063	C	C	.	.	H	α-helix	trans	-62.4	-39.7	172	-64.7	171.4	0	0	0	111.9	W148 L154 L157 L192 L195 A231 V232 N238 R239 A297	W148-L235 HydrophobicContact CE3-CD1 4.45Å; W148-L235 HydrophobicContact CH2-CD1 3.83Å; W148-L235 HydrophobicContact CZ3-CD1 3.47Å; W148-L235 VanDerWaalsContact CZ3-CD1 3.47Å; L154-L235 HydrophobicContact CD1-CD2 3.45Å; L154-L235 VanDerWaalsContact CD1-CD2 3.45Å; L157-L235 HydrophobicContact CD2-CD2 4.45Å; L192-L235 HydrophobicContact CD2-CD1 4.29Å; L192-L235 HydrophobicContact CD2-CD2 3.92Å; L192-L235 HydrophobicContact CD2-CG 4.02Å; L195-L235 HydrophobicContact CD2-CD1 4.15Å; A231-L235 WeakPolarHBondContact O-CG 3.37Å; A231-L235 PolarHBondContact O-N 2.92Å; V232-L235 WeakPolarHBondContact O-CB 3.45Å; V232-L235 PolarHBondContact O-N 3.28Å; V232-L235 VanDerWaalsContact O-N 3.14Å; L235-N238 PolarHBondContact O-N 3.27Å; L235-R239 WeakPolarHBondContact O-CB 3.35Å; L235-R239 PolarHBondContact O-N 3.42Å; L235-A297 HydrophobicContact CB-CB 4.05Å
236	M	98.9	Very high	98.6	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-60.7	-46.1	172.9	-69.2	174	69.4	0	0	111.2	L131 V232 K233 F234 N238 R239 A240 L277 L286 E290 L293 L294 A297	L131-M236 HydrophobicContact CD2-SD 4.08Å; V232-M236 HydrophobicContact CG1-SD 4.33Å; V232-M236 WeakPolarHBondContact O-CG 3.37Å; V232-M236 PolarHBondContact O-N 3.47Å; K233-M236 WeakPolarHBondContact O-CB 3.49Å; K233-M236 PolarHBondContact O-N 3.05Å; F234-M236 VanDerWaalsContact C-N 3.32Å; F234-M236 PolarHBondContact O-N 3.14Å; M236-N238 PolarHBondContact O-N 3.18Å; M236-R239 PolarHBondContact O-N 3.26Å; M236-A240 WeakPolarHBondContact O-CB 3.29Å; M236-A240 PolarHBondContact O-N 3.34Å; M236-L277 HydrophobicContact CB-CD2 4.49Å; M236-L277 HydrophobicContact CE-CD2 4.25Å; M236-L286 HydrophobicContact CE-CD1 4.15Å; M236-L286 HydrophobicContact CE-CD2 3.72Å; M236-L286 HydrophobicContact SD-CD2 4.47Å; M236-E290 HydrophobicContact CE-CB 4.44Å; M236-L293 HydrophobicContact CB-CD2 3.96Å; M236-L293 HydrophobicContact CB-CG 3.97Å; M236-L293 HydrophobicContact CE-CB 4.16Å; M236-L293 HydrophobicContact CE-CD2 4.08Å; M236-L293 HydrophobicContact CE-CG 4.11Å; M236-L293 HydrophobicContact CG-CG 4.31Å; M236-L294 HydrophobicContact CE-CB 4.02Å; M236-L294 HydrophobicContact SD-CB 4.08Å; M236-L294 HydrophobicContact SD-CD1 3.98Å; M236-A297 HydrophobicContact CB-CB 4.26Å; M236-A297 HydrophobicContact CG-CB 3.57Å
237	L	98.9	Very high	98.7	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-60.8	-45.9	175.7	-178.6	61.6	0	0	0	111.8	W167 I168 W171 K233 F234 R239 A240 I241 P269 L273 L277	W167-L237 HydrophobicContact CH2-CD1 4.03Å; W167-L237 HydrophobicContact CZ3-CD1 4.17Å; W167-L237 HydrophobicContact CZ3-CD2 4.32Å; I168-L237 HydrophobicContact CD1-CD2 4.28Å; I168-L237 HydrophobicContact CG1-CD2 4.13Å; I168-L237 HydrophobicContact CG2-CD2 4.14Å; W171-L237 HydrophobicContact CE3-CD2 4.11Å; W171-L237 HydrophobicContact CZ3-CB 4.27Å; W171-L237 HydrophobicContact CZ3-CD2 3.76Å; K233-L237 PolarHBondContact O-N 2.9Å; F234-L237 PolarHBondContact O-N 3.29Å; L237-R239 VanDerWaalsContact C-N 3.31Å; L237-R239 PolarHBondContact O-N 3.26Å; L237-A240 PolarHBondContact O-N 2.84Å; L237-I241 HydrophobicContact CD1-CD1 4.32Å; L237-I241 HydrophobicContact CD1-CG1 4.43Å; L237-I241 HydrophobicContact CG-CD1 4.02Å; L237-I241 WeakPolarHBondContact O-CG1 3.41Å; L237-I241 PolarHBondContact O-N 2.85Å; L237-P269 HydrophobicContact CD1-CB 4.48Å; L237-L273 HydrophobicContact CD1-CB 4.2Å; L237-L273 HydrophobicContact CD2-CD1 4.26Å; L237-L273 HydrophobicContact CD2-CD2 4.22Å; L237-L277 HydrophobicContact CB-CD1 3.78Å; L237-L277 HydrophobicContact CD1-CD1 4.07Å; L237-L277 HydrophobicContact CG-CD1 4.47Å
238	N	98.8	Very high	98.7	Very high	20 Å²	20	23 Å²	23	11%	0.107	11%	0.106	C	C	.	.	H	α-helix	trans	-55.4	-49.6	175.5	174.5	61.1	0	0	0	111	L157 L161 F234 L235 M236 A240 I241 E242	L157-N238 HydrophobicContact CD2-CB 3.95Å; L161-N238 HydrophobicContact CD1-CB 3.74Å; L161-N238 WeakPolarHBondContact CD1-OD1 3.41Å; F234-N238 PolarHBondContact O-N 2.62Å; L235-N238 PolarHBondContact O-N 3.27Å; M236-N238 PolarHBondContact O-N 3.18Å; N238-A240 VanDerWaalsContact C-N 3.3Å; N238-A240 PolarHBondContact O-N 3.32Å; N238-I241 WeakPolarHBondContact O-CB 3.5Å; N238-I241 PolarHBondContact O-N 2.78Å; N238-I241 VanDerWaalsContact O-N 3.13Å; N238-E242 PolarHBondContact ND2-OE1 3.18Å; N238-E242 WeakPolarHBondContact O-CG 3.44Å; N238-E242 PolarHBondContact O-N 3.35Å
239	R	98.9	Very high	98.7	Very high	52 Å²	52	29.8 Å²	29.8	20%	0.196	14%	0.135	C	C	.	.	H	α-helix	trans	-62.9	-38.7	-178.6	-172	68.4	-165.5	126.9	2.1	111.9	L235 M236 L237 E242 L243 L293	L235-R239 WeakPolarHBondContact O-CB 3.35Å; L235-R239 PolarHBondContact O-N 3.42Å; M236-R239 PolarHBondContact O-N 3.26Å; L237-R239 VanDerWaalsContact C-N 3.31Å; L237-R239 PolarHBondContact O-N 3.26Å; R239-E242 WeakPolarHBondContact CD-OE2 3.39Å; R239-E242 IonicContact CZ-OE2 2.55Å; R239-E242 IonicContact NH1-OE2 3.83Å; R239-E242 PolarHBondContact NH1-OE2 3.46Å; R239-E242 PolarHBondContact O-N 3.1Å; R239-L243 HydrophobicContact CG-CD1 4.1Å; R239-L243 WeakPolarHBondContact O-CB 3.49Å; R239-L243 VanDerWaalsContact O-CG 3.26Å; R239-L243 WeakPolarHBondContact O-CG 3.44Å; R239-L243 PolarHBondContact O-N 2.73Å; R239-L293 HydrophobicContact CB-CD1 4Å; R239-L293 HydrophobicContact CG-CD1 4.06Å
240	A	98.9	Very high	98.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-63	-42.5	174.3	0	0	0	0	0	111.8	M236 L237 N238 L243 Y244 F261 L272 L293	M236-A240 WeakPolarHBondContact O-CB 3.29Å; M236-A240 PolarHBondContact O-N 3.34Å; L237-A240 PolarHBondContact O-N 2.84Å; N238-A240 VanDerWaalsContact C-N 3.3Å; N238-A240 PolarHBondContact O-N 3.32Å; A240-L243 PolarHBondContact O-N 2.86Å; A240-Y244 VanDerWaalsContact O-CB 3.29Å; A240-Y244 WeakPolarHBondContact O-CB 3.49Å; A240-Y244 PolarHBondContact O-N 3.41Å; A240-F261 HydrophobicContact CB-CZ 4Å; A240-F261 WeakPolarHBondContact O-CZ 3.2Å; A240-L272 HydrophobicContact CB-CD2 3.35Å; A240-L293 HydrophobicContact CB-CD1 4.08Å; A240-L293 HydrophobicContact CB-CD2 4.09Å
241	I	98.9	Very high	98.6	Very high	5 Å²	5	38.4 Å²	38.4	3%	0.026	19%	0.193	C	C	.	.	H	α-helix	trans	-61.4	-44.6	175.1	-69.5	166.6	0	0	0	111	L161 Y165 W167 I168 L237 N238 N245 P269	L161-I241 HydrophobicContact CD2-CD1 4.44Å; Y165-I241 HydrophobicContact CD2-CD1 4.28Å; Y165-I241 HydrophobicContact CD2-CG2 4.4Å; Y165-I241 HydrophobicContact CE2-CG2 3.65Å; W167-I241 HydrophobicContact CH2-CD1 3.86Å; W167-I241 HydrophobicContact CH2-CG1 4.12Å; W167-I241 HydrophobicContact CZ2-CD1 4.14Å; W167-I241 HydrophobicContact CZ2-CG1 4.32Å; I168-I241 HydrophobicContact CD1-CD1 4Å; L237-I241 HydrophobicContact CD1-CD1 4.32Å; L237-I241 HydrophobicContact CD1-CG1 4.43Å; L237-I241 HydrophobicContact CG-CD1 4.02Å; L237-I241 WeakPolarHBondContact O-CG1 3.41Å; L237-I241 PolarHBondContact O-N 2.85Å; N238-I241 WeakPolarHBondContact O-CB 3.5Å; N238-I241 PolarHBondContact O-N 2.78Å; N238-I241 VanDerWaalsContact O-N 3.13Å; I241-N245 VanDerWaalsContact CG2-ND2 3.31Å; I241-N245 WeakPolarHBondContact CG2-ND2 3.43Å; I241-N245 VanDerWaalsContact O-CB 3.32Å; I241-N245 WeakPolarHBondContact O-CB 3.49Å; I241-N245 PolarHBondContact O-N 2.79Å; I241-N245 PolarHBondContact O-ND2 2.84Å; I241-P269 HydrophobicContact CG1-CB 3.65Å; I241-P269 HydrophobicContact CG1-CG 4.09Å
242	E	98.8	Very high	98.6	Very high	71 Å²	71	47.8 Å²	47.8	33%	0.332	24%	0.236	S	C	.	.	H	α-helix	trans	-59.5	-51.5	176.6	-71	170.9	176.8	0	0	111.6	N238 R239 Y244 N245 D246	N238-E242 PolarHBondContact ND2-OE1 3.18Å; N238-E242 WeakPolarHBondContact O-CG 3.44Å; N238-E242 PolarHBondContact O-N 3.35Å; R239-E242 WeakPolarHBondContact CD-OE2 3.39Å; R239-E242 IonicContact CZ-OE2 2.55Å; R239-E242 IonicContact NH1-OE2 3.83Å; R239-E242 PolarHBondContact NH1-OE2 3.46Å; R239-E242 PolarHBondContact O-N 3.1Å; E242-Y244 PolarHBondContact O-N 3.04Å; E242-N245 PolarHBondContact O-N 2.86Å; E242-D246 WeakPolarHBondContact O-CB 3.5Å; E242-D246 PolarHBondContact O-N 2.81Å
243	L	98.8	Very high	98.5	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.016	24%	0.243	C	C	.	.	H	α-helix	trans	-60.7	-44	179.5	-72.5	168.8	0	0	0	111.9	R239 A240 D246 K247 V253 P254 F256 L293	R239-L243 HydrophobicContact CG-CD1 4.1Å; R239-L243 WeakPolarHBondContact O-CB 3.49Å; R239-L243 VanDerWaalsContact O-CG 3.26Å; R239-L243 WeakPolarHBondContact O-CG 3.44Å; R239-L243 PolarHBondContact O-N 2.73Å; A240-L243 PolarHBondContact O-N 2.86Å; L243-D246 PolarHBondContact O-N 3.22Å; L243-K247 WeakPolarHBondContact O-CB 3.45Å; L243-K247 PolarHBondContact O-N 3.03Å; L243-V253 HydrophobicContact CD2-CB 4.46Å; L243-V253 HydrophobicContact CD2-CG1 4.47Å; L243-P254 HydrophobicContact CD2-CG 4.33Å; L243-F256 HydrophobicContact CD1-CE1 4.47Å; L243-F256 HydrophobicContact CD1-CE2 4.28Å; L243-F256 HydrophobicContact CD1-CZ 3.67Å; L243-L293 HydrophobicContact CD1-CD1 4.46Å
244	Y	98.8	Very high	98.5	Very high	56 Å²	56	50.6 Å²	50.6	22%	0.22	25%	0.254	C	S	.	.	H	α-helix	trans	-61.1	-49	175.8	-173.7	-91	0	0	0	111.3	A240 E242 D246 K247 E248 F261 N267 D268 P269	A240-Y244 VanDerWaalsContact O-CB 3.29Å; A240-Y244 WeakPolarHBondContact O-CB 3.49Å; A240-Y244 PolarHBondContact O-N 3.41Å; E242-Y244 PolarHBondContact O-N 3.04Å; Y244-D246 VanDerWaalsContact C-N 3.3Å; Y244-D246 PolarHBondContact O-N 3.28Å; Y244-K247 WeakPolarHBondContact O-CB 3.35Å; Y244-K247 PolarHBondContact O-N 3.48Å; Y244-E248 HydrophobicContact CD1-CG 3.92Å; Y244-E248 HydrophobicContact CE1-CG 3.54Å; Y244-E248 WeakPolarHBondContact O-CG 3.44Å; Y244-E248 PolarHBondContact O-N 2.87Å; Y244-F261 AromaticContact CD2-CD1 3.91Å; Y244-F261 HydrophobicContact CD2-CD1 3.91Å; Y244-F261 HydrophobicContact CD2-CD2 4.05Å; Y244-F261 HydrophobicContact CD2-CE1 4.01Å; Y244-F261 HydrophobicContact CD2-CE2 4.12Å; Y244-F261 AromaticContact CD2-CG 3.98Å; Y244-F261 HydrophobicContact CD2-CG 3.98Å; Y244-F261 HydrophobicContact CD2-CZ 4.11Å; Y244-F261 HydrophobicContact CG-CE2 4.49Å; Y244-F261 HydrophobicContact CG-CZ 4.41Å; Y244-N267 WeakPolarHBondContact CE2-O 3.16Å; Y244-D268 HydrophobicContact CE2-CB 4.12Å; Y244-P269 HydrophobicContact CD1-CG 4.15Å; Y244-P269 HydrophobicContact CD2-CG 4.23Å; Y244-P269 HydrophobicContact CG-CG 3.74Å
245	N	98.6	Very high	98.4	Very high	39 Å²	39	57.6 Å²	57.6	21%	0.209	29%	0.285	C	S	.	.	H	α-helix	trans	-63.3	-35.7	179.2	-72.1	-40.3	0	0	0	112.7	Y165 I241 E242 K249	Y165-N245 PolarHBondContact OH-ND2 3.17Å; Y165-N245 VanDerWaalsContact OH-ND2 3.08Å; I241-N245 VanDerWaalsContact CG2-ND2 3.31Å; I241-N245 WeakPolarHBondContact CG2-ND2 3.43Å; I241-N245 VanDerWaalsContact O-CB 3.32Å; I241-N245 WeakPolarHBondContact O-CB 3.49Å; I241-N245 PolarHBondContact O-N 2.79Å; I241-N245 PolarHBondContact O-ND2 2.84Å; E242-N245 PolarHBondContact O-N 2.86Å; N245-K249 WeakPolarHBondContact O-CD 3.41Å; N245-K249 WeakPolarHBondContact O-CG 3.39Å; N245-K249 PolarHBondContact O-N 3.37Å; N245-K249 VanDerWaalsContact O-N 3.15Å
246	D	98.7	Very high	98.4	Very high	38 Å²	38	57.8 Å²	57.8	20%	0.203	29%	0.286	C	S	.	.	H	α-helix	trans	-69.4	-42.1	177.1	-79.5	-17.6	0	0	0	110.9	E242 L243 Y244 E248 K249 G250 K251 V253	E242-D246 WeakPolarHBondContact O-CB 3.5Å; E242-D246 PolarHBondContact O-N 2.81Å; L243-D246 PolarHBondContact O-N 3.22Å; Y244-D246 VanDerWaalsContact C-N 3.3Å; Y244-D246 PolarHBondContact O-N 3.28Å; D246-E248 PolarHBondContact O-N 3.19Å; D246-K249 CarbonylContact O-C 3.53Å; D246-K249 PolarHBondContact O-N 2.93Å; D246-K249 VanDerWaalsContact O-N 3.16Å; D246-G250 PolarHBondContact O-N 2.85Å; D246-K251 HydrophobicContact CB-CB 4.12Å; D246-K251 HydrophobicContact CB-CD 4.1Å; D246-K251 WeakPolarHBondContact O-CB 3.44Å; D246-K251 PolarHBondContact O-N 2.85Å; D246-K251 WeakPolarHBondContact OD1-CD 3.37Å; D246-K251 WeakPolarHBondContact OD1-CE 3.35Å; D246-K251 IonicContact OD1-NZ 2.77Å; D246-K251 PolarHBondContact OD1-NZ 3.17Å; D246-V253 HydrophobicContact CB-CG1 3.9Å
247	K	98	Very high	98.4	Very high	74 Å²	74	57.9 Å²	57.9	32%	0.322	29%	0.286	S	S	.	.	H	α-helix	trans	-57.2	-48.1	171.1	-171.8	-167.8	72.8	68.5	0	111.5	L243 Y244 K249 G250 V253	L243-K247 WeakPolarHBondContact O-CB 3.45Å; L243-K247 PolarHBondContact O-N 3.03Å; Y244-K247 WeakPolarHBondContact O-CB 3.35Å; Y244-K247 PolarHBondContact O-N 3.48Å; K247-K249 PolarHBondContact O-N 2.81Å; K247-G250 PolarHBondContact O-N 2.95Å; K247-V253 HydrophobicContact CB-CG1 4.23Å; K247-V253 HydrophobicContact CB-CG2 4.27Å; K247-V253 HydrophobicContact CG-CG2 4.41Å
248	E	97.6	Very high	98.3	Very high	110 Å²	110	60.7 Å²	60.7	51%	0.514	30%	0.303	S	S	.	.	H	α-helix	trans	-63.4	-25.6	179.3	-69.8	-61.6	102.3	0	0	112.9	Y244 D246 G250	Y244-E248 HydrophobicContact CD1-CG 3.92Å; Y244-E248 HydrophobicContact CE1-CG 3.54Å; Y244-E248 WeakPolarHBondContact O-CG 3.44Å; Y244-E248 PolarHBondContact O-N 2.87Å; D246-E248 PolarHBondContact O-N 3.19Å; E248-G250 VanDerWaalsContact C-N 3.28Å
249	K	98.3	Very high	98.3	Very high	144 Å²	144	63.8 Å²	63.8	63%	0.626	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	3.9	174.1	-69	167.6	-169.6	169.5	0	113.2	N245 D246 K247 K251	N245-K249 WeakPolarHBondContact O-CD 3.41Å; N245-K249 WeakPolarHBondContact O-CG 3.39Å; N245-K249 PolarHBondContact O-N 3.37Å; N245-K249 VanDerWaalsContact O-N 3.15Å; D246-K249 CarbonylContact O-C 3.53Å; D246-K249 PolarHBondContact O-N 2.93Å; D246-K249 VanDerWaalsContact O-N 3.16Å; K247-K249 PolarHBondContact O-N 2.81Å; K249-K251 VanDerWaalsContact C-N 3.26Å; K249-K251 HydrophobicContact CB-CG 4.32Å; K249-K251 PolarHBondContact O-N 3.11Å
250	G	97.6	Very high	98.3	Very high	70 Å²	70	61.3 Å²	61.3	72%	0.722	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.9	21.6	-177.3	0	0	0	0	0	114	D246 K247 E248	D246-G250 PolarHBondContact O-N 2.85Å; K247-G250 PolarHBondContact O-N 2.95Å; E248-G250 VanDerWaalsContact C-N 3.28Å
251	K	98.4	Very high	98.3	Very high	113 Å²	113	62 Å²	62	49%	0.491	31%	0.313	S	S	.	.			trans	-79.3	156.8	172	-60.5	-172.5	-168.7	165	0	110.4	D246 K249 V253	D246-K251 HydrophobicContact CB-CB 4.12Å; D246-K251 HydrophobicContact CB-CD 4.1Å; D246-K251 WeakPolarHBondContact O-CB 3.44Å; D246-K251 PolarHBondContact O-N 2.85Å; D246-K251 WeakPolarHBondContact OD1-CD 3.37Å; D246-K251 WeakPolarHBondContact OD1-CE 3.35Å; D246-K251 IonicContact OD1-NZ 2.77Å; D246-K251 PolarHBondContact OD1-NZ 3.17Å; K249-K251 VanDerWaalsContact C-N 3.26Å; K249-K251 HydrophobicContact CB-CG 4.32Å; K249-K251 PolarHBondContact O-N 3.11Å; K251-V253 PolarHBondContact O-N 3.19Å
252	E	97.6	Very high	98.2	Very high	196 Å²	196	65.1 Å²	65.1	92%	0.916	34%	0.339	S	S	*	.			trans	-63.6	133.4	170.4	-170.3	176	-171.9	0	0	110.4
253	V	98	Very high	98.2	Very high	27 Å²	27	63.6 Å²	63.6	16%	0.164	33%	0.331	C	S	.	.			trans	-133.4	149.8	177.2	-65.6	0	0	0	0	109.4	L243 D246 K247 K251 S257 V258	L243-V253 HydrophobicContact CD2-CB 4.46Å; L243-V253 HydrophobicContact CD2-CG1 4.47Å; D246-V253 HydrophobicContact CB-CG1 3.9Å; K247-V253 HydrophobicContact CB-CG1 4.23Å; K247-V253 HydrophobicContact CB-CG2 4.27Å; K247-V253 HydrophobicContact CG-CG2 4.41Å; K251-V253 PolarHBondContact O-N 3.19Å; V253-S257 WeakPolarHBondContact CG2-OG 3.47Å; V253-V258 HydrophobicContact CG2-CG2 4.2Å
254	P	97.7	Very high	98.2	Very high	36 Å²	36	69.7 Å²	69.7	23%	0.234	36%	0.363	C	S	.	.			trans	-58.6	141.7	174.8	-23.5	34.4	0	0	0	111.8	L243 F256 S257 Y296	L243-P254 HydrophobicContact CD2-CG 4.33Å; P254-F256 VanDerWaalsContact C-N 3.26Å; P254-F256 HydrophobicContact CB-CD1 3.5Å; P254-F256 VanDerWaalsContact CB-CD1 3.5Å; P254-F256 HydrophobicContact CB-CE1 3.49Å; P254-F256 VanDerWaalsContact CB-CE1 3.49Å; P254-F256 HydrophobicContact CG-CD1 4.44Å; P254-F256 HydrophobicContact CG-CE1 3.95Å; P254-F256 PolarHBondContact O-N 3.45Å; P254-S257 WeakPolarHBondContact O-CB 3.48Å; P254-S257 PolarHBondContact O-N 3.11Å; P254-S257 PolarHBondContact O-OG 3Å; P254-Y296 HydrophobicContact CG-CE1 4.03Å; P254-Y296 HydrophobicContact CG-CE2 4.41Å; P254-Y296 VanDerWaalsContact CG-OH 3.25Å; P254-Y296 WeakPolarHBondContact CG-OH 3.28Å
255	F	97.7	Very high	98.1	Very high	147 Å²	147	69.7 Å²	69.7	65%	0.645	37%	0.369	S	S	*	.	H	α-helix	trans	-59.7	-33.7	-174.3	-173	-110.5	0	0	0	113.6	S257 V258 L259	F255-S257 PolarHBondContact O-N 3.35Å; F255-S257 VanDerWaalsContact O-N 3.12Å; F255-V258 HydrophobicContact CD2-CB 4.44Å; F255-V258 WeakPolarHBondContact O-CA 3.39Å; F255-V258 VanDerWaalsContact O-CB 3.32Å; F255-V258 WeakPolarHBondContact O-CB 3.34Å; F255-V258 PolarHBondContact O-N 3.02Å; F255-L259 HydrophobicContact CD1-CD1 3.98Å; F255-L259 HydrophobicContact CD1-CG 4.13Å; F255-L259 HydrophobicContact CE1-CD1 3.75Å; F255-L259 HydrophobicContact CE1-CD2 3.84Å; F255-L259 HydrophobicContact CE1-CG 3.81Å; F255-L259 HydrophobicContact CZ-CD2 3.94Å; F255-L259 HydrophobicContact CZ-CG 4.3Å; F255-L259 PolarHBondContact O-N 2.89Å; F255-L259 VanDerWaalsContact O-N 3.15Å
256	F	98.2	Very high	98.1	Very high	13 Å²	13	67.8 Å²	67.8	6%	0.057	36%	0.359	C	S	.	.	H	α-helix	trans	-57.4	-30.9	175.8	87.4	-91.5	0	0	0	112.3	L243 P254 V258 L259 L260 F292 L293 Y296	L243-F256 HydrophobicContact CD1-CE1 4.47Å; L243-F256 HydrophobicContact CD1-CE2 4.28Å; L243-F256 HydrophobicContact CD1-CZ 3.67Å; P254-F256 VanDerWaalsContact C-N 3.26Å; P254-F256 HydrophobicContact CB-CD1 3.5Å; P254-F256 VanDerWaalsContact CB-CD1 3.5Å; P254-F256 HydrophobicContact CB-CE1 3.49Å; P254-F256 VanDerWaalsContact CB-CE1 3.49Å; P254-F256 HydrophobicContact CG-CD1 4.44Å; P254-F256 HydrophobicContact CG-CE1 3.95Å; P254-F256 PolarHBondContact O-N 3.45Å; F256-V258 VanDerWaalsContact C-N 3.33Å; F256-L259 PolarHBondContact O-N 2.77Å; F256-L260 WeakPolarHBondContact O-CB 3.28Å; F256-L260 PolarHBondContact O-N 2.95Å; F256-F292 HydrophobicContact CB-CB 3.89Å; F256-F292 HydrophobicContact CB-CD1 3.95Å; F256-F292 HydrophobicContact CB-CD2 4.05Å; F256-F292 HydrophobicContact CB-CG 3.7Å; F256-F292 HydrophobicContact CD1-CB 3.91Å; F256-F292 HydrophobicContact CD1-CD1 4.28Å; F256-F292 HydrophobicContact CD1-CG 4.34Å; F256-F292 HydrophobicContact CD2-CB 3.28Å; F256-F292 HydrophobicContact CD2-CG 4.09Å; F256-F292 HydrophobicContact CE1-CB 4.31Å; F256-F292 HydrophobicContact CE2-CB 3.73Å; F256-F292 HydrophobicContact CG-CB 3.39Å; F256-F292 HydrophobicContact CG-CD1 4.1Å; F256-F292 HydrophobicContact CG-CD2 4.49Å; F256-F292 AromaticContact CG-CG 3.77Å; F256-F292 HydrophobicContact CG-CG 3.77Å; F256-F292 HydrophobicContact CZ-CB 4.22Å; F256-L293 HydrophobicContact CE2-CB 4.26Å; F256-Y296 HydrophobicContact CD1-CD2 4.35Å; F256-Y296 AromaticContact CD1-CE2 3.89Å; F256-Y296 HydrophobicContact CD1-CE2 3.89Å; F256-Y296 AromaticContact CE1-CD2 3.39Å; F256-Y296 HydrophobicContact CE1-CD2 3.39Å; F256-Y296 AromaticContact CE1-CE2 3.15Å; F256-Y296 HydrophobicContact CE1-CE2 3.15Å; F256-Y296 HydrophobicContact CE1-CG 4.2Å; F256-Y296 AromaticContact CE1-CZ 3.84Å; F256-Y296 AromaticContact CZ-CD2 3.58Å; F256-Y296 HydrophobicContact CZ-CD2 3.58Å; F256-Y296 AromaticContact CZ-CE2 3.88Å; F256-Y296 HydrophobicContact CZ-CE2 3.88Å; F256-Y296 HydrophobicContact CZ-CG 4.13Å
257	S	98.4	Very high	98.1	Very high	1 Å²	1	69.5 Å²	69.5	1%	0.007	37%	0.368	C	S	.	.	H	α-helix	trans	-71.4	-31.4	178.6	74	0	0	0	0	111.7	V253 P254 F255 L260 F261	V253-S257 WeakPolarHBondContact CG2-OG 3.47Å; P254-S257 WeakPolarHBondContact O-CB 3.48Å; P254-S257 PolarHBondContact O-N 3.11Å; P254-S257 PolarHBondContact O-OG 3Å; F255-S257 PolarHBondContact O-N 3.35Å; F255-S257 VanDerWaalsContact O-N 3.12Å; S257-L260 PolarHBondContact O-N 3.48Å; S257-F261 WeakPolarHBondContact O-CD2 3.45Å; S257-F261 PolarHBondContact O-N 2.76Å; S257-F261 VanDerWaalsContact O-N 3.13Å
258	V	98	Very high	98.2	Very high	60 Å²	60	68.3 Å²	68.3	36%	0.364	37%	0.365	S	S	.	.	H	α-helix	trans	-64.5	-46.3	171.3	-177.7	0	0	0	0	109.3	V253 F255 F256 F261 A262	V253-V258 HydrophobicContact CG2-CG2 4.2Å; F255-V258 HydrophobicContact CD2-CB 4.44Å; F255-V258 WeakPolarHBondContact O-CA 3.39Å; F255-V258 VanDerWaalsContact O-CB 3.32Å; F255-V258 WeakPolarHBondContact O-CB 3.34Å; F255-V258 PolarHBondContact O-N 3.02Å; F256-V258 VanDerWaalsContact C-N 3.33Å; V258-F261 CarbonylContact O-C 3.58Å; V258-F261 PolarHBondContact O-N 2.62Å; V258-A262 VanDerWaalsContact O-CB 3.23Å; V258-A262 WeakPolarHBondContact O-CB 3.24Å; V258-A262 PolarHBondContact O-N 3.27Å
259	L	98.4	Very high	98.2	Very high	84 Å²	84	63.5 Å²	63.5	44%	0.44	34%	0.344	S	S	.	.	H	α-helix	trans	-63.2	-41.8	176.3	-60.4	179.7	0	0	0	112.2	F255 F256 F261 A262 V289	F255-L259 HydrophobicContact CD1-CD1 3.98Å; F255-L259 HydrophobicContact CD1-CG 4.13Å; F255-L259 HydrophobicContact CE1-CD1 3.75Å; F255-L259 HydrophobicContact CE1-CD2 3.84Å; F255-L259 HydrophobicContact CE1-CG 3.81Å; F255-L259 HydrophobicContact CZ-CD2 3.94Å; F255-L259 HydrophobicContact CZ-CG 4.3Å; F255-L259 PolarHBondContact O-N 2.89Å; F255-L259 VanDerWaalsContact O-N 3.15Å; F256-L259 PolarHBondContact O-N 2.77Å; L259-F261 VanDerWaalsContact C-N 3.29Å; L259-F261 PolarHBondContact O-N 2.95Å; L259-A262 PolarHBondContact O-N 3.17Å; L259-V289 HydrophobicContact CB-CG2 4.17Å
260	L	98.6	Very high	98.2	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-56	-45.3	178.1	-175.3	74	0	0	0	111.3	F256 S257 R263 S266 L272 V289 E290 L293	F256-L260 WeakPolarHBondContact O-CB 3.28Å; F256-L260 PolarHBondContact O-N 2.95Å; S257-L260 PolarHBondContact O-N 3.48Å; L260-R263 VanDerWaalsContact CD1-NH2 3.32Å; L260-R263 PolarHBondContact O-NE 3.31Å; L260-S266 WeakPolarHBondContact O-CB 3.44Å; L260-S266 PolarHBondContact O-OG 3.47Å; L260-L272 HydrophobicContact CD1-CD1 4.09Å; L260-L272 HydrophobicContact CD2-CD2 4.25Å; L260-L272 HydrophobicContact CG-CD1 4.48Å; L260-V289 HydrophobicContact CB-CG2 4.05Å; L260-V289 HydrophobicContact CD1-CG1 3.88Å; L260-V289 HydrophobicContact CD1-CG2 4.24Å; L260-E290 HydrophobicContact CD1-CG 3.94Å; L260-L293 HydrophobicContact CD2-CD2 4.14Å
261	F	98.7	Very high	98.3	Very high	14 Å²	14	55.6 Å²	55.6	6%	0.061	29%	0.291	C	S	.	.	H	α-helix	trans	-91.5	-1.3	-179.3	-63.4	-63.4	0	0	0	114.7	A240 Y244 S257 V258 L259 S266 N267 P269	A240-F261 HydrophobicContact CB-CZ 4Å; A240-F261 WeakPolarHBondContact O-CZ 3.2Å; Y244-F261 AromaticContact CD2-CD1 3.91Å; Y244-F261 HydrophobicContact CD2-CD1 3.91Å; Y244-F261 HydrophobicContact CD2-CD2 4.05Å; Y244-F261 HydrophobicContact CD2-CE1 4.01Å; Y244-F261 HydrophobicContact CD2-CE2 4.12Å; Y244-F261 AromaticContact CD2-CG 3.98Å; Y244-F261 HydrophobicContact CD2-CG 3.98Å; Y244-F261 HydrophobicContact CD2-CZ 4.11Å; Y244-F261 HydrophobicContact CG-CE2 4.49Å; Y244-F261 HydrophobicContact CG-CZ 4.41Å; S257-F261 WeakPolarHBondContact O-CD2 3.45Å; S257-F261 PolarHBondContact O-N 2.76Å; S257-F261 VanDerWaalsContact O-N 3.13Å; V258-F261 CarbonylContact O-C 3.58Å; V258-F261 PolarHBondContact O-N 2.62Å; L259-F261 VanDerWaalsContact C-N 3.29Å; L259-F261 PolarHBondContact O-N 2.95Å; F261-S266 WeakPolarHBondContact CA-O 3.27Å; F261-S266 VanDerWaalsContact CD1-O 3.24Å; F261-S266 WeakPolarHBondContact CD1-O 3.36Å; F261-N267 WeakPolarHBondContact O-CA 3.32Å; F261-P269 HydrophobicContact CE1-CG 4.04Å; F261-P269 HydrophobicContact CZ-CG 4.11Å
262	A	98.2	Very high	98.3	Very high	71 Å²	71	50.2 Å²	50.2	59%	0.587	27%	0.267	S	S	*	.	H	α-helix	trans	-85.1	-13.8	172.2	0	0	0	0	0	112.7	V258 L259	V258-A262 VanDerWaalsContact O-CB 3.23Å; V258-A262 WeakPolarHBondContact O-CB 3.24Å; V258-A262 PolarHBondContact O-N 3.27Å; L259-A262 PolarHBondContact O-N 3.17Å
263	R	98.4	Very high	98.4	Very high	39 Å²	39	40.9 Å²	40.9	15%	0.147	22%	0.224	C	C	.	.	S	Bend	trans	-67.9	133.3	175.3	-59.5	-178.9	-64.7	169	5.8	110	L260 T265 S266 N267 H276 E287 E290	L260-R263 VanDerWaalsContact CD1-NH2 3.32Å; L260-R263 PolarHBondContact O-NE 3.31Å; R263-T265 PolarHBondContact O-N 3.22Å; R263-T265 VanDerWaalsContact O-N 3.13Å; R263-S266 PolarHBondContact NH2-OG 3.43Å; R263-S266 CarbonylContact O-C 3.6Å; R263-S266 PolarHBondContact O-N 2.81Å; R263-N267 PolarHBondContact O-N 3.42Å; R263-N267 PolarHBondContact O-OD1 3.06Å; R263-H276 PolarHBondContact NH1-CE1 2.72Å; R263-H276 VanDerWaalsContact NH1-CE1 3.28Å; R263-H276 PolarHBondContact NH1-ND1 2.74Å; R263-E287 IonicContact CZ-OE2 2.78Å; R263-E287 IonicContact NH1-OE2 2.81Å; R263-E287 PolarHBondContact NH1-OE2 3.23Å; R263-E290 IonicContact CZ-OE1 3.78Å; R263-E290 IonicContact NH1-OE1 2.95Å; R263-E290 PolarHBondContact NH1-OE1 3.35Å; R263-E290 IonicContact NH2-OE1 3.44Å; R263-E290 PolarHBondContact NH2-OE1 3.11Å
264	D	97.9	Very high	98.4	Very high	132 Å²	132	43.8 Å²	43.8	71%	0.706	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-27.7	177.5	64.5	-18.7	0	0	0	114	N267 Q271	D264-N267 PolarHBondContact O-ND2 3.42Å; D264-Q271 PolarHBondContact O-OE1 2.98Å
265	T	98.3	Very high	98.4	Very high	55 Å²	55	45.5 Å²	45.5	34%	0.337	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	0.7	177.5	54.2	0	0	0	0	113.8	R263 N275 H276	R263-T265 PolarHBondContact O-N 3.22Å; R263-T265 VanDerWaalsContact O-N 3.13Å; T265-N275 WeakPolarHBondContact O-CB 3.5Å; T265-N275 PolarHBondContact O-ND2 2.8Å; T265-H276 PolarHBondContact O-NE2 3.27Å; T265-H276 PolarHBondContact OG1-CE1 2.61Å; T265-H276 PolarHBondContact OG1-NE2 3.48Å
266	S	98.6	Very high	98.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.212	C	C	.	.			trans	-145.2	35.5	-174.9	-174.8	0	0	0	0	112.4	L260 F261 R263 D268 L272	L260-S266 WeakPolarHBondContact O-CB 3.44Å; L260-S266 PolarHBondContact O-OG 3.47Å; F261-S266 WeakPolarHBondContact CA-O 3.27Å; F261-S266 VanDerWaalsContact CD1-O 3.24Å; F261-S266 WeakPolarHBondContact CD1-O 3.36Å; R263-S266 PolarHBondContact NH2-OG 3.43Å; R263-S266 CarbonylContact O-C 3.6Å; R263-S266 PolarHBondContact O-N 2.81Å; S266-D268 PolarHBondContact O-N 2.88Å; S266-D268 VanDerWaalsContact O-N 3.13Å; S266-L272 WeakPolarHBondContact OG-CB 3.23Å; S266-L272 WeakPolarHBondContact OG-CD1 3.35Å
267	N	98.3	Very high	98.5	Very high	73 Å²	73	38.6 Å²	38.6	39%	0.39	21%	0.209	S	C	.	.	S	Bend	trans	-63.7	-21.7	-175.1	-62.3	-72.6	0	0	0	114.3	Y244 F261 R263 D264 Q271	Y244-N267 WeakPolarHBondContact CE2-O 3.16Å; F261-N267 WeakPolarHBondContact O-CA 3.32Å; R263-N267 PolarHBondContact O-N 3.42Å; R263-N267 PolarHBondContact O-OD1 3.06Å; D264-N267 PolarHBondContact O-ND2 3.42Å; N267-Q271 VanDerWaalsContact N-OE1 3.07Å; N267-Q271 PolarHBondContact ND2-OE1 3.28Å
268	D	98.7	Very high	98.5	Very high	49 Å²	49	39.1 Å²	39.1	26%	0.262	21%	0.211	S	C	.	.	S	Bend	trans	-143.2	164.8	-179.9	66.2	65.9	0	0	0	110.6	Y244 S266 G270 Q271 L272	Y244-D268 HydrophobicContact CE2-CB 4.12Å; S266-D268 PolarHBondContact O-N 2.88Å; S266-D268 VanDerWaalsContact O-N 3.13Å; D268-G270 PolarHBondContact O-N 2.88Å; D268-G270 VanDerWaalsContact O-N 3.17Å; D268-G270 VanDerWaalsContact OD1-CA 3.23Å; D268-G270 WeakPolarHBondContact OD1-CA 3.34Å; D268-G270 PolarHBondContact OD1-N 3.09Å; D268-Q271 PolarHBondContact O-N 3.34Å; D268-Q271 VanDerWaalsContact O-N 3.1Å; D268-Q271 PolarHBondContact OD1-N 2.96Å; D268-Q271 WeakPolarHBondContact OD2-CG 3.15Å; D268-Q271 PolarHBondContact OD2-NE2 3.39Å; D268-L272 PolarHBondContact O-N 2.87Å
269	P	98.8	Very high	98.4	Very high	10 Å²	10	39.1 Å²	39.1	7%	0.065	21%	0.208	C	C	.	.	H	α-helix	trans	-60.3	-25.7	-179.1	-26.5	35.8	0	0	0	114.6	W167 L237 I241 Y244 F261 L273	W167-P269 HydrophobicContact CH2-CB 3.73Å; W167-P269 HydrophobicContact CZ2-CB 4.05Å; L237-P269 HydrophobicContact CD1-CB 4.48Å; I241-P269 HydrophobicContact CG1-CB 3.65Å; I241-P269 HydrophobicContact CG1-CG 4.09Å; Y244-P269 HydrophobicContact CD1-CG 4.15Å; Y244-P269 HydrophobicContact CD2-CG 4.23Å; Y244-P269 HydrophobicContact CG-CG 3.74Å; F261-P269 HydrophobicContact CE1-CG 4.04Å; F261-P269 HydrophobicContact CZ-CG 4.11Å; P269-L273 WeakPolarHBondContact O-CB 3.31Å; P269-L273 PolarHBondContact O-N 2.81Å
270	G	98.7	Very high	98.4	Very high	2 Å²	2	35.2 Å²	35.2	2%	0.021	19%	0.187	C	C	.	.	H	α-helix	trans	-73.3	-38.1	175.4	0	0	0	0	0	112.4	D268 L273 R274	D268-G270 PolarHBondContact O-N 2.88Å; D268-G270 VanDerWaalsContact O-N 3.17Å; D268-G270 VanDerWaalsContact OD1-CA 3.23Å; D268-G270 WeakPolarHBondContact OD1-CA 3.34Å; D268-G270 PolarHBondContact OD1-N 3.09Å; G270-L273 PolarHBondContact O-N 3.46Å; G270-R274 PolarHBondContact O-N 3.04Å; G270-R274 PolarHBondContact O-NH1 3.4Å
271	Q	98.8	Very high	98.2	Very high	45 Å²	45	35.6 Å²	35.6	21%	0.21	19%	0.191	C	C	.	.	H	α-helix	trans	-67.1	-43.9	170.9	-69.4	-175	21.9	0	0	111.5	D264 N267 D268 L273 R274 N275	D264-Q271 PolarHBondContact O-OE1 2.98Å; N267-Q271 VanDerWaalsContact N-OE1 3.07Å; N267-Q271 PolarHBondContact ND2-OE1 3.28Å; D268-Q271 PolarHBondContact O-N 3.34Å; D268-Q271 VanDerWaalsContact O-N 3.1Å; D268-Q271 PolarHBondContact OD1-N 2.96Å; D268-Q271 WeakPolarHBondContact OD2-CG 3.15Å; D268-Q271 PolarHBondContact OD2-NE2 3.39Å; Q271-L273 VanDerWaalsContact C-N 3.27Å; Q271-L273 PolarHBondContact O-N 3.27Å; Q271-R274 PolarHBondContact O-N 3.16Å; Q271-N275 VanDerWaalsContact O-CB 3.31Å; Q271-N275 WeakPolarHBondContact O-CB 3.49Å; Q271-N275 PolarHBondContact O-N 2.99Å
272	L	98.9	Very high	97.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-53.2	-46.5	171.9	179.9	69	0	0	0	111.1	A240 L260 S266 D268 H276 L277 L293	A240-L272 HydrophobicContact CB-CD2 3.35Å; L260-L272 HydrophobicContact CD1-CD1 4.09Å; L260-L272 HydrophobicContact CD2-CD2 4.25Å; L260-L272 HydrophobicContact CG-CD1 4.48Å; S266-L272 WeakPolarHBondContact OG-CB 3.23Å; S266-L272 WeakPolarHBondContact OG-CD1 3.35Å; D268-L272 PolarHBondContact O-N 2.87Å; L272-H276 HydrophobicContact CD1-CB 4.09Å; L272-H276 WeakPolarHBondContact O-CA 3.27Å; L272-H276 VanDerWaalsContact O-CB 3.32Å; L272-H276 WeakPolarHBondContact O-CB 3.42Å; L272-H276 PolarHBondContact O-N 2.62Å; L272-H276 VanDerWaalsContact O-N 3.11Å; L272-L277 HydrophobicContact CD2-CD1 4.35Å; L272-L277 HydrophobicContact CG-CD1 4.24Å; L272-L277 HydrophobicContact CG-CG 4.23Å; L272-L277 PolarHBondContact O-N 3.08Å; L272-L293 HydrophobicContact CD2-CD2 3.97Å
273	L	98.8	Very high	97.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.194	C	C	.	.	I	π-helix	trans	-60.1	-56.9	177	174.8	58.8	0	0	0	112	W167 W171 L237 P269 G270 Q271 L277 N278	W167-L273 HydrophobicContact CE3-CD2 3.85Å; W167-L273 HydrophobicContact CZ3-CB 4.02Å; W167-L273 HydrophobicContact CZ3-CD2 3.73Å; W171-L273 HydrophobicContact CD2-CD1 4.2Å; W171-L273 HydrophobicContact CE3-CD1 3.43Å; W171-L273 VanDerWaalsContact CE3-CD1 3.43Å; W171-L273 HydrophobicContact CZ3-CD1 3.78Å; L237-L273 HydrophobicContact CD1-CB 4.2Å; L237-L273 HydrophobicContact CD2-CD1 4.26Å; L237-L273 HydrophobicContact CD2-CD2 4.22Å; P269-L273 WeakPolarHBondContact O-CB 3.31Å; P269-L273 PolarHBondContact O-N 2.81Å; G270-L273 PolarHBondContact O-N 3.46Å; Q271-L273 VanDerWaalsContact C-N 3.27Å; Q271-L273 PolarHBondContact O-N 3.27Å; L273-L277 HydrophobicContact CD1-CB 4.28Å; L273-N278 VanDerWaalsContact CD1-OD1 3.31Å; L273-N278 WeakPolarHBondContact CD1-OD1 3.4Å; L273-N278 WeakPolarHBondContact O-CB 3.35Å; L273-N278 VanDerWaalsContact O-CG 3.24Å; L273-N278 PolarHBondContact O-N 3Å
274	R	98.3	Very high	97.5	Very high	89 Å²	89	36.6 Å²	36.6	34%	0.336	20%	0.198	S	C	.	.	I	π-helix	trans	-66.6	-43.8	-172	-75.6	-170.4	-66.4	-75.4	-4.4	113.4	G270 Q271 Q279	G270-R274 PolarHBondContact O-N 3.04Å; G270-R274 PolarHBondContact O-NH1 3.4Å; Q271-R274 PolarHBondContact O-N 3.16Å; R274-Q279 PolarHBondContact O-NE2 3.49Å; R274-Q279 VanDerWaalsContact O-NE2 3.07Å
275	N	98.4	Very high	97.4	Very high	71 Å²	71	31.9 Å²	31.9	38%	0.38	18%	0.181	S	C	.	.	I	π-helix	trans	-95	-21.2	-166.6	-58.6	-23.1	0	0	0	112.5	T265 Q271 Q279	T265-N275 WeakPolarHBondContact O-CB 3.5Å; T265-N275 PolarHBondContact O-ND2 2.8Å; Q271-N275 VanDerWaalsContact O-CB 3.31Å; Q271-N275 WeakPolarHBondContact O-CB 3.49Å; Q271-N275 PolarHBondContact O-N 2.99Å; N275-Q279 WeakPolarHBondContact O-CG 3.28Å
276	H	98.5	Very high	97.3	Very high	16 Å²	16	29.7 Å²	29.7	7%	0.074	17%	0.167	C	C	.	.	I	π-helix	trans	-123.1	-68.1	-175.5	-61.1	-87.9	0	0	0	112.1	R263 T265 L272 N278 Q279 V280 E287 E290	R263-H276 PolarHBondContact NH1-CE1 2.72Å; R263-H276 VanDerWaalsContact NH1-CE1 3.28Å; R263-H276 PolarHBondContact NH1-ND1 2.74Å; T265-H276 PolarHBondContact O-NE2 3.27Å; T265-H276 PolarHBondContact OG1-CE1 2.61Å; T265-H276 PolarHBondContact OG1-NE2 3.48Å; L272-H276 HydrophobicContact CD1-CB 4.09Å; L272-H276 WeakPolarHBondContact O-CA 3.27Å; L272-H276 VanDerWaalsContact O-CB 3.32Å; L272-H276 WeakPolarHBondContact O-CB 3.42Å; L272-H276 PolarHBondContact O-N 2.62Å; L272-H276 VanDerWaalsContact O-N 3.11Å; H276-N278 VanDerWaalsContact C-N 3.31Å; H276-N278 PolarHBondContact O-N 3.21Å; H276-Q279 WeakPolarHBondContact O-CA 3.34Å; H276-Q279 VanDerWaalsContact O-CB 3.27Å; H276-Q279 WeakPolarHBondContact O-CB 3.14Å; H276-Q279 PolarHBondContact O-N 2.94Å; H276-V280 PolarHBondContact O-N 3.13Å; H276-V280 VanDerWaalsContact O-N 3.15Å; H276-E287 IonicContact CE1-OE1 3.42Å; H276-E287 IonicContact ND1-OE1 3.76Å; H276-E290 VanDerWaalsContact CB-OE1 3.28Å; H276-E290 WeakPolarHBondContact CB-OE1 3.49Å; H276-E290 IonicContact CG-OE1 3.51Å; H276-E290 IonicContact ND1-OE1 3.48Å; H276-E290 PolarHBondContact ND1-OE1 2.97Å
277	L	98.5	Very high	97.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.188	C	C	.	.	I	π-helix	trans	-61.8	-35.6	-174.1	-64.7	176.9	0	0	0	113.5	K233 M236 L237 L272 L273 Q279 V280	K233-L277 WeakPolarHBondContact CE-O 3.25Å; K233-L277 PolarHBondContact NZ-O 3.43Å; M236-L277 HydrophobicContact CB-CD2 4.49Å; M236-L277 HydrophobicContact CE-CD2 4.25Å; L237-L277 HydrophobicContact CB-CD1 3.78Å; L237-L277 HydrophobicContact CD1-CD1 4.07Å; L237-L277 HydrophobicContact CG-CD1 4.47Å; L272-L277 HydrophobicContact CD2-CD1 4.35Å; L272-L277 HydrophobicContact CG-CD1 4.24Å; L272-L277 HydrophobicContact CG-CG 4.23Å; L272-L277 PolarHBondContact O-N 3.08Å; L273-L277 HydrophobicContact CD1-CB 4.28Å; L277-Q279 PolarHBondContact O-N 3.31Å; L277-V280 PolarHBondContact O-N 3.48Å
278	N	98.1	Very high	96.9	Very high	11 Å²	11	33.8 Å²	33.8	6%	0.059	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-15.5	173.4	-81.9	-6.8	0	0	0	113.5	Q170 K172 L273 H276 H282	Q170-N278 PolarHBondContact O-ND2 3.46Å; K172-N278 HydrophobicContact CB-CB 3.89Å; K172-N278 PolarHBondContact N-OD1 2.96Å; L273-N278 VanDerWaalsContact CD1-OD1 3.31Å; L273-N278 WeakPolarHBondContact CD1-OD1 3.4Å; L273-N278 WeakPolarHBondContact O-CB 3.35Å; L273-N278 VanDerWaalsContact O-CG 3.24Å; L273-N278 PolarHBondContact O-N 3Å; H276-N278 VanDerWaalsContact C-N 3.31Å; H276-N278 PolarHBondContact O-N 3.21Å; N278-H282 PolarHBondContact O-CD2 2.8Å
279	Q	97.4	Very high	96.8	Very high	61 Å²	61	32.6 Å²	32.6	29%	0.285	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-26.9	176.6	-51.9	-47.6	-48.6	0	0	111.5	R274 N275 H276 L277 G281 H282 T283 G284	R274-Q279 PolarHBondContact O-NE2 3.49Å; R274-Q279 VanDerWaalsContact O-NE2 3.07Å; N275-Q279 WeakPolarHBondContact O-CG 3.28Å; H276-Q279 WeakPolarHBondContact O-CA 3.34Å; H276-Q279 VanDerWaalsContact O-CB 3.27Å; H276-Q279 WeakPolarHBondContact O-CB 3.14Å; H276-Q279 PolarHBondContact O-N 2.94Å; L277-Q279 PolarHBondContact O-N 3.31Å; Q279-G281 PolarHBondContact O-N 3.45Å; Q279-G281 VanDerWaalsContact O-N 3.17Å; Q279-H282 PolarHBondContact O-N 2.89Å; Q279-T283 WeakPolarHBondContact CB-OG1 3.37Å; Q279-T283 PolarHBondContact O-N 3.27Å; Q279-T283 PolarHBondContact OE1-OG1 2.87Å; Q279-G284 PolarHBondContact O-N 2.84Å; Q279-G284 VanDerWaalsContact O-O 3.11Å
280	V	97.6	Very high	96.8	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.006	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-58.4	115.7	173.9	-176.2	0	0	0	0	110	Y128 L131 K233 H276 L277 G284 L286	Y128-V280 HydrophobicContact CD1-CG1 4.48Å; L131-V280 HydrophobicContact CD1-CG1 3.7Å; K233-V280 HydrophobicContact CD-CB 4.35Å; K233-V280 HydrophobicContact CD-CG1 4.24Å; K233-V280 PolarHBondContact NZ-O 3.23Å; H276-V280 PolarHBondContact O-N 3.13Å; H276-V280 VanDerWaalsContact O-N 3.15Å; L277-V280 PolarHBondContact O-N 3.48Å; V280-G284 VanDerWaalsContact CA-O 3.27Å; V280-G284 WeakPolarHBondContact CA-O 3.29Å; V280-L286 HydrophobicContact CG1-CD2 4.24Å; V280-L286 HydrophobicContact CG2-CD2 3.69Å
281	G	94.2	Very high	96.8	Very high	9 Å²	9	32.1 Å²	32.1	9%	0.093	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.4	-5	-175	0	0	0	0	0	116.3	N127 Q279 G284	N127-G281 VanDerWaalsContact CB-CA 3.46Å; N127-G281 PolarHBondContact O-N 2.87Å; N127-G281 VanDerWaalsContact O-N 3.11Å; Q279-G281 PolarHBondContact O-N 3.45Å; Q279-G281 VanDerWaalsContact O-N 3.17Å; G281-G284 PolarHBondContact N-O 3.01Å
282	H	93.8	Very high	96.8	Very high	24 Å²	24	31.5 Å²	31.5	11%	0.111	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.9	-64.4	179.7	-66.3	-80.2	0	0	0	112.2	N127 L173 L175 N278 Q279	N127-H282 PolarHBondContact ND2-O 3.34Å; L173-H282 PolarHBondContact O-CE1 2.84Å; L173-H282 VanDerWaalsContact O-CE1 3.22Å; L173-H282 PolarHBondContact O-NE2 3.43Å; L173-H282 VanDerWaalsContact O-NE2 3.17Å; L175-H282 VanDerWaalsContact CD2-ND1 3.32Å; L175-H282 WeakPolarHBondContact CD2-ND1 3.46Å; L175-H282 WeakPolarHBondContact CG-ND1 3.49Å; N278-H282 PolarHBondContact O-CD2 2.8Å; Q279-H282 PolarHBondContact O-N 2.89Å
283	T	94.1	Very high	96.8	Very high	98 Å²	98	31.5 Å²	31.5	60%	0.601	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-122.2	-16.8	-169.9	49.2	0	0	0	0	112.9	N127 Q279	N127-T283 PolarHBondContact ND2-N 3.33Å; Q279-T283 WeakPolarHBondContact CB-OG1 3.37Å; Q279-T283 PolarHBondContact O-N 3.27Å; Q279-T283 PolarHBondContact OE1-OG1 2.87Å
284	G	92.6	Very high	96.8	Very high	22 Å²	22	31.7 Å²	31.7	23%	0.227	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-154.7	165.8	176	0	0	0	0	0	112.7	N127 Q279 V280 G281	N127-G284 VanDerWaalsContact CB-O 3.28Å; N127-G284 WeakPolarHBondContact CB-O 3.31Å; N127-G284 VanDerWaalsContact OD1-C 3.26Å; N127-G284 WeakPolarHBondContact OD1-CA 3.39Å; Q279-G284 PolarHBondContact O-N 2.84Å; Q279-G284 VanDerWaalsContact O-O 3.11Å; V280-G284 VanDerWaalsContact CA-O 3.27Å; V280-G284 WeakPolarHBondContact CA-O 3.29Å; G281-G284 PolarHBondContact N-O 3.01Å
285	G	95.8	Very high	96.9	Very high	34 Å²	34	27.4 Å²	27.4	35%	0.351	16%	0.157	S	C	.	.			trans	-90.4	-169.1	170.4	0	0	0	0	0	112.3
286	L	97.7	Very high	96.9	Very high	9 Å²	9	26.1 Å²	26.1	5%	0.047	15%	0.147	C	C	.	.			trans	-70.3	138.7	171.9	-66.9	-178.8	0	0	0	111.1	A130 L131 M236 V280 E290 M291 L294	A130-L286 HydrophobicContact CB-CB 4.22Å; A130-L286 HydrophobicContact CB-CD1 4.08Å; A130-L286 HydrophobicContact CB-CG 4.36Å; L131-L286 HydrophobicContact CD2-CD1 3.88Å; L131-L286 HydrophobicContact CG-CD1 4.03Å; L131-L286 HydrophobicContact CG-CG 4.46Å; M236-L286 HydrophobicContact CE-CD1 4.15Å; M236-L286 HydrophobicContact CE-CD2 3.72Å; M236-L286 HydrophobicContact SD-CD2 4.47Å; V280-L286 HydrophobicContact CG1-CD2 4.24Å; V280-L286 HydrophobicContact CG2-CD2 3.69Å; L286-E290 HydrophobicContact CB-CB 4.32Å; L286-E290 HydrophobicContact CD2-CB 4.12Å; L286-M291 HydrophobicContact CB-SD 4.36Å; L286-M291 HydrophobicContact CD1-SD 4.07Å; L286-L294 HydrophobicContact CD1-CB 4.21Å; L286-L294 HydrophobicContact CD1-CD2 3.77Å
287	E	95.7	Very high	96.9	Very high	92 Å²	92	25.8 Å²	25.8	43%	0.43	15%	0.147	S	C	.	.			trans	-78.7	163.9	168	-65	-173.6	-179.1	0	0	111.6	R263 H276 V289 E290 M291	R263-E287 IonicContact CZ-OE2 2.78Å; R263-E287 IonicContact NH1-OE2 2.81Å; R263-E287 PolarHBondContact NH1-OE2 3.23Å; H276-E287 IonicContact CE1-OE1 3.42Å; H276-E287 IonicContact ND1-OE1 3.76Å; E287-V289 VanDerWaalsContact C-N 3.33Å; E287-V289 PolarHBondContact O-N 3.43Å; E287-E290 HydrophobicContact CB-CG 4.33Å; E287-E290 PolarHBondContact N-OE2 2.89Å; E287-E290 WeakPolarHBondContact O-CA 3.27Å; E287-E290 WeakPolarHBondContact O-CB 3.39Å; E287-E290 PolarHBondContact O-N 3.19Å; E287-M291 PolarHBondContact O-N 3.36Å
288	Q	92	Very high	96.9	Very high	66 Å²	66	26 Å²	26	31%	0.308	15%	0.148	S	C	.	.	H	α-helix	trans	-57.3	-42.3	-176.7	-166.8	-174.5	-4.9	0	0	112.9	E290 M291 Y319	Q288-E290 PolarHBondContact O-N 3.15Å; Q288-M291 WeakPolarHBondContact O-CB 3.31Å; Q288-M291 PolarHBondContact O-N 3.01Å; Q288-Y319 HydrophobicContact CG-CE1 4.23Å; Q288-Y319 WeakPolarHBondContact CG-OH 3.25Å; Q288-Y319 PolarHBondContact NE2-OH 2.82Å
289	V	97.3	Very high	96.9	Very high	25 Å²	25	31.3 Å²	31.3	15%	0.152	17%	0.167	C	C	.	.	H	α-helix	trans	-65.8	-25.2	177.5	68.8	0	0	0	0	112.2	L259 L260 E287 F292	L259-V289 HydrophobicContact CB-CG2 4.17Å; L260-V289 HydrophobicContact CB-CG2 4.05Å; L260-V289 HydrophobicContact CD1-CG1 3.88Å; L260-V289 HydrophobicContact CD1-CG2 4.24Å; E287-V289 VanDerWaalsContact C-N 3.33Å; E287-V289 PolarHBondContact O-N 3.43Å; V289-F292 WeakPolarHBondContact O-CB 3.38Å; V289-F292 PolarHBondContact O-N 3Å
290	E	98.6	Very high	96.9	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-82.4	-17	-179.5	-60.7	170.1	167.1	0	0	112.1	M236 L260 R263 H276 L286 E287 Q288 F292 L293 L294	M236-E290 HydrophobicContact CE-CB 4.44Å; L260-E290 HydrophobicContact CD1-CG 3.94Å; R263-E290 IonicContact CZ-OE1 3.78Å; R263-E290 IonicContact NH1-OE1 2.95Å; R263-E290 PolarHBondContact NH1-OE1 3.35Å; R263-E290 IonicContact NH2-OE1 3.44Å; R263-E290 PolarHBondContact NH2-OE1 3.11Å; H276-E290 VanDerWaalsContact CB-OE1 3.28Å; H276-E290 WeakPolarHBondContact CB-OE1 3.49Å; H276-E290 IonicContact CG-OE1 3.51Å; H276-E290 IonicContact ND1-OE1 3.48Å; H276-E290 PolarHBondContact ND1-OE1 2.97Å; L286-E290 HydrophobicContact CB-CB 4.32Å; L286-E290 HydrophobicContact CD2-CB 4.12Å; E287-E290 HydrophobicContact CB-CG 4.33Å; E287-E290 PolarHBondContact N-OE2 2.89Å; E287-E290 WeakPolarHBondContact O-CA 3.27Å; E287-E290 WeakPolarHBondContact O-CB 3.39Å; E287-E290 PolarHBondContact O-N 3.19Å; Q288-E290 PolarHBondContact O-N 3.15Å; E290-F292 VanDerWaalsContact C-N 3.28Å; E290-F292 PolarHBondContact O-N 2.7Å; E290-L293 WeakPolarHBondContact O-CB 3.26Å; E290-L293 PolarHBondContact O-N 2.9Å; E290-L293 VanDerWaalsContact O-N 3.13Å; E290-L294 PolarHBondContact O-N 2.83Å
291	M	98.5	Very high	97	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-62.8	-35.3	167.8	-67.7	-60.9	-68.7	0	0	111.9	A130 L286 E287 Q288 L294 A295 I302 Y319 L332 Y340	A130-M291 HydrophobicContact CB-CE 4.49Å; A130-M291 HydrophobicContact CB-SD 3.78Å; L286-M291 HydrophobicContact CB-SD 4.36Å; L286-M291 HydrophobicContact CD1-SD 4.07Å; E287-M291 PolarHBondContact O-N 3.36Å; Q288-M291 WeakPolarHBondContact O-CB 3.31Å; Q288-M291 PolarHBondContact O-N 3.01Å; M291-L294 HydrophobicContact CE-CD2 4.35Å; M291-L294 PolarHBondContact O-N 3.36Å; M291-L294 HydrophobicContact SD-CD2 4.23Å; M291-A295 WeakPolarHBondContact O-CB 3.34Å; M291-A295 PolarHBondContact O-N 3.5Å; M291-I302 HydrophobicContact CE-CD1 4.19Å; M291-I302 HydrophobicContact CE-CG2 4.06Å; M291-Y319 HydrophobicContact CB-CD1 3.81Å; M291-Y319 HydrophobicContact CB-CD2 4.18Å; M291-Y319 HydrophobicContact CB-CE1 3.91Å; M291-Y319 HydrophobicContact CB-CE2 4.29Å; M291-Y319 HydrophobicContact CB-CG 3.95Å; M291-L332 HydrophobicContact CE-CD1 4.43Å; M291-Y340 HydrophobicContact CE-CE1 4.01Å
292	F	98.7	Very high	97.2	Very high	33 Å²	33	28.6 Å²	28.6	15%	0.145	15%	0.153	C	C	.	.	H	α-helix	trans	-63.4	-44.7	170	-67	-91.1	0	0	0	111.1	F256 V289 E290 L294 A295 Y296 Y319 P320	F256-F292 HydrophobicContact CB-CB 3.89Å; F256-F292 HydrophobicContact CB-CD1 3.95Å; F256-F292 HydrophobicContact CB-CD2 4.05Å; F256-F292 HydrophobicContact CB-CG 3.7Å; F256-F292 HydrophobicContact CD1-CB 3.91Å; F256-F292 HydrophobicContact CD1-CD1 4.28Å; F256-F292 HydrophobicContact CD1-CG 4.34Å; F256-F292 HydrophobicContact CD2-CB 3.28Å; F256-F292 HydrophobicContact CD2-CG 4.09Å; F256-F292 HydrophobicContact CE1-CB 4.31Å; F256-F292 HydrophobicContact CE2-CB 3.73Å; F256-F292 HydrophobicContact CG-CB 3.39Å; F256-F292 HydrophobicContact CG-CD1 4.1Å; F256-F292 HydrophobicContact CG-CD2 4.49Å; F256-F292 AromaticContact CG-CG 3.77Å; F256-F292 HydrophobicContact CG-CG 3.77Å; F256-F292 HydrophobicContact CZ-CB 4.22Å; V289-F292 WeakPolarHBondContact O-CB 3.38Å; V289-F292 PolarHBondContact O-N 3Å; E290-F292 VanDerWaalsContact C-N 3.28Å; E290-F292 PolarHBondContact O-N 2.7Å; F292-L294 VanDerWaalsContact C-N 3.3Å; F292-L294 PolarHBondContact O-N 3.42Å; F292-A295 WeakPolarHBondContact O-CB 3.32Å; F292-A295 PolarHBondContact O-N 2.85Å; F292-Y296 WeakPolarHBondContact O-CD2 3.38Å; F292-Y296 PolarHBondContact O-N 2.87Å; F292-Y319 AromaticContact CD1-CD1 3.93Å; F292-Y319 HydrophobicContact CD1-CD1 3.93Å; F292-Y319 AromaticContact CD2-CD1 3.5Å; F292-Y319 HydrophobicContact CD2-CD1 3.5Å; F292-Y319 AromaticContact CD2-CE1 3.86Å; F292-Y319 HydrophobicContact CD2-CE1 3.86Å; F292-Y319 AromaticContact CE1-CD1 3.8Å; F292-Y319 HydrophobicContact CE1-CD1 3.8Å; F292-Y319 HydrophobicContact CE1-CE1 4.49Å; F292-Y319 AromaticContact CE2-CD1 3.38Å; F292-Y319 HydrophobicContact CE2-CD1 3.38Å; F292-Y319 AromaticContact CE2-CE1 3.42Å; F292-Y319 HydrophobicContact CE2-CE1 3.42Å; F292-Y319 VanDerWaalsContact CE2-CE1 3.42Å; F292-Y319 AromaticContact CG-CD1 3.78Å; F292-Y319 HydrophobicContact CG-CD1 3.78Å; F292-Y319 AromaticContact CZ-CD1 3.52Å; F292-Y319 HydrophobicContact CZ-CD1 3.52Å; F292-Y319 AromaticContact CZ-CE1 3.77Å; F292-Y319 HydrophobicContact CZ-CE1 3.77Å; F292-P320 HydrophobicContact CD1-CB 4.23Å
293	L	98.9	Very high	97.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-62	-40.8	178.4	-176.2	63.3	0	0	0	111.5	M236 R239 A240 L243 F256 L260 L272 E290 Y296 A297	M236-L293 HydrophobicContact CB-CD2 3.96Å; M236-L293 HydrophobicContact CB-CG 3.97Å; M236-L293 HydrophobicContact CE-CB 4.16Å; M236-L293 HydrophobicContact CE-CD2 4.08Å; M236-L293 HydrophobicContact CE-CG 4.11Å; M236-L293 HydrophobicContact CG-CG 4.31Å; R239-L293 HydrophobicContact CB-CD1 4Å; R239-L293 HydrophobicContact CG-CD1 4.06Å; A240-L293 HydrophobicContact CB-CD1 4.08Å; A240-L293 HydrophobicContact CB-CD2 4.09Å; L243-L293 HydrophobicContact CD1-CD1 4.46Å; F256-L293 HydrophobicContact CE2-CB 4.26Å; L260-L293 HydrophobicContact CD2-CD2 4.14Å; L272-L293 HydrophobicContact CD2-CD2 3.97Å; E290-L293 WeakPolarHBondContact O-CB 3.26Å; E290-L293 PolarHBondContact O-N 2.9Å; E290-L293 VanDerWaalsContact O-N 3.13Å; L293-Y296 PolarHBondContact O-N 2.5Å; L293-A297 VanDerWaalsContact O-CB 3.3Å; L293-A297 WeakPolarHBondContact O-CB 3.43Å; L293-A297 PolarHBondContact O-N 3.26Å
294	L	98.9	Very high	97.6	Very high	3 Å²	3	24.9 Å²	24.9	2%	0.016	13%	0.128	C	C	.	.	H	α-helix	trans	-58.7	-52.3	173.3	174.7	58.3	0	0	0	111	L131 T134 V232 M236 L286 E290 M291 F292 Y296 A297 V298 I302	L131-L294 HydrophobicContact CD2-CD1 3.58Å; L131-L294 HydrophobicContact CD2-CD2 4.02Å; L131-L294 HydrophobicContact CD2-CG 4.39Å; T134-L294 HydrophobicContact CG2-CD2 4Å; T134-L294 HydrophobicContact CG2-CG 4.32Å; V232-L294 HydrophobicContact CG1-CD1 3.43Å; V232-L294 VanDerWaalsContact CG1-CD1 3.43Å; M236-L294 HydrophobicContact CE-CB 4.02Å; M236-L294 HydrophobicContact SD-CB 4.08Å; M236-L294 HydrophobicContact SD-CD1 3.98Å; L286-L294 HydrophobicContact CD1-CB 4.21Å; L286-L294 HydrophobicContact CD1-CD2 3.77Å; E290-L294 PolarHBondContact O-N 2.83Å; M291-L294 HydrophobicContact CE-CD2 4.35Å; M291-L294 PolarHBondContact O-N 3.36Å; M291-L294 HydrophobicContact SD-CD2 4.23Å; F292-L294 VanDerWaalsContact C-N 3.3Å; F292-L294 PolarHBondContact O-N 3.42Å; L294-Y296 VanDerWaalsContact C-N 3.3Å; L294-Y296 PolarHBondContact O-N 3.17Å; L294-A297 WeakPolarHBondContact O-CB 3.11Å; L294-A297 PolarHBondContact O-N 3.21Å; L294-V298 HydrophobicContact CD1-CG1 4.31Å; L294-V298 WeakPolarHBondContact O-CG2 3.3Å; L294-V298 PolarHBondContact O-N 2.79Å; L294-I302 HydrophobicContact CB-CD1 4.42Å; L294-I302 HydrophobicContact CD2-CD1 3.97Å; L294-I302 HydrophobicContact CG-CD1 3.93Å
295	A	98.8	Very high	97.9	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-53.9	-46	178	0	0	0	0	0	111.9	M291 F292 R299 H300 I302 Y319 W327	M291-A295 WeakPolarHBondContact O-CB 3.34Å; M291-A295 PolarHBondContact O-N 3.5Å; F292-A295 WeakPolarHBondContact O-CB 3.32Å; F292-A295 PolarHBondContact O-N 2.85Å; A295-R299 VanDerWaalsContact O-CA 3.24Å; A295-R299 WeakPolarHBondContact O-CA 3.25Å; A295-R299 PolarHBondContact O-N 2.91Å; A295-H300 WeakPolarHBondContact CA-O 3.45Å; A295-H300 VanDerWaalsContact CB-O 3.32Å; A295-H300 WeakPolarHBondContact CB-O 3.43Å; A295-H300 PolarHBondContact O-N 3.33Å; A295-I302 HydrophobicContact CB-CD1 3.89Å; A295-I302 HydrophobicContact CB-CG1 4.05Å; A295-Y319 VanDerWaalsContact CB-O 3.29Å; A295-Y319 WeakPolarHBondContact CB-O 3.19Å; A295-W327 WeakPolarHBondContact O-CZ3 3.44Å
296	Y	98.7	Very high	98	Very high	43 Å²	43	22.6 Å²	22.6	17%	0.169	10%	0.102	C	C	.	.	H	α-helix	trans	-67.8	-33.5	175.8	-87.5	-94.2	0	0	0	114.3	P254 F256 F292 L293 L294 P320 W327	P254-Y296 HydrophobicContact CG-CE1 4.03Å; P254-Y296 HydrophobicContact CG-CE2 4.41Å; P254-Y296 VanDerWaalsContact CG-OH 3.25Å; P254-Y296 WeakPolarHBondContact CG-OH 3.28Å; F256-Y296 HydrophobicContact CD1-CD2 4.35Å; F256-Y296 AromaticContact CD1-CE2 3.89Å; F256-Y296 HydrophobicContact CD1-CE2 3.89Å; F256-Y296 AromaticContact CE1-CD2 3.39Å; F256-Y296 HydrophobicContact CE1-CD2 3.39Å; F256-Y296 AromaticContact CE1-CE2 3.15Å; F256-Y296 HydrophobicContact CE1-CE2 3.15Å; F256-Y296 HydrophobicContact CE1-CG 4.2Å; F256-Y296 AromaticContact CE1-CZ 3.84Å; F256-Y296 AromaticContact CZ-CD2 3.58Å; F256-Y296 HydrophobicContact CZ-CD2 3.58Å; F256-Y296 AromaticContact CZ-CE2 3.88Å; F256-Y296 HydrophobicContact CZ-CE2 3.88Å; F256-Y296 HydrophobicContact CZ-CG 4.13Å; F292-Y296 WeakPolarHBondContact O-CD2 3.38Å; F292-Y296 PolarHBondContact O-N 2.87Å; L293-Y296 PolarHBondContact O-N 2.5Å; L294-Y296 VanDerWaalsContact C-N 3.3Å; L294-Y296 PolarHBondContact O-N 3.17Å; Y296-P320 HydrophobicContact CD2-CB 4.39Å; Y296-P320 HydrophobicContact CE2-CB 3.61Å; Y296-P320 HydrophobicContact CE2-CG 3.94Å; Y296-W327 AromaticContact CD1-CH2 3.77Å; Y296-W327 HydrophobicContact CD1-CH2 3.77Å; Y296-W327 HydrophobicContact CD1-CZ2 4.48Å; Y296-W327 HydrophobicContact CD2-CH2 4.36Å; Y296-W327 HydrophobicContact CE1-CH2 4.15Å; Y296-W327 AromaticContact CG-CH2 3.9Å; Y296-W327 HydrophobicContact CG-CH2 3.9Å
297	A	98.7	Very high	98	Very high	10 Å²	10	22.2 Å²	22.2	8%	0.083	10%	0.1	C	C	.	.	H	α-helix	trans	-68.1	-43.6	-180	0	0	0	0	0	111.9	L235 M236 L293 L294	L235-A297 HydrophobicContact CB-CB 4.05Å; M236-A297 HydrophobicContact CB-CB 4.26Å; M236-A297 HydrophobicContact CG-CB 3.57Å; L293-A297 VanDerWaalsContact O-CB 3.3Å; L293-A297 WeakPolarHBondContact O-CB 3.43Å; L293-A297 PolarHBondContact O-N 3.26Å; L294-A297 WeakPolarHBondContact O-CB 3.11Å; L294-A297 PolarHBondContact O-N 3.21Å
298	V	98.3	Very high	98	Very high	3 Å²	3	20.4 Å²	20.4	2%	0.018	10%	0.098	C	C	.	.	H	α-helix	trans	-96.3	-3	-179.7	-58.9	0	0	0	0	113.7	W148 V232 L294 H300	W148-V298 HydrophobicContact CZ2-CB 4.28Å; W148-V298 PolarHBondContact NE1-O 2.83Å; V232-V298 HydrophobicContact CG1-CG1 3.96Å; V232-V298 HydrophobicContact CG2-CG1 4.25Å; L294-V298 HydrophobicContact CD1-CG1 4.31Å; L294-V298 WeakPolarHBondContact O-CG2 3.3Å; L294-V298 PolarHBondContact O-N 2.79Å; V298-H300 VanDerWaalsContact C-N 3.34Å; V298-H300 HydrophobicContact CG2-CB 4.01Å; V298-H300 PolarHBondContact O-N 3.17Å; V298-H300 PolarHBondContact O-ND1 2.87Å
299	R	98.1	Very high	98.2	Very high	124 Å²	124	20.4 Å²	20.4	47%	0.468	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	48.5	-177.8	-54.1	-170.5	-171.4	176.3	2.3	112.8	W148 A295 W327	W148-R299 HydrophobicContact CG-CG 4.44Å; A295-R299 VanDerWaalsContact O-CA 3.24Å; A295-R299 WeakPolarHBondContact O-CA 3.25Å; A295-R299 PolarHBondContact O-N 2.91Å; R299-W327 VanDerWaalsContact C-CD2 3.47Å; R299-W327 HydrophobicContact CB-CD2 4.09Å; R299-W327 HydrophobicContact CB-CG 4.49Å; R299-W327 HydrophobicContact CB-CZ2 3.96Å; R299-W327 HydrophobicContact CG-CZ2 4.01Å
300	H	98.5	Very high	98.1	Very high	6 Å²	6	21.2 Å²	21.2	3%	0.028	10%	0.097	C	C	.	.			trans	-123.2	144.6	174.2	-75.7	65	0	0	0	109.5	W199 A295 V298 P328	W199-H300 AromaticContact CH2-CE1 3.69Å; W199-H300 AromaticContact CZ2-CE1 3.61Å; W199-H300 AromaticContact CZ2-NE2 3.85Å; A295-H300 WeakPolarHBondContact CA-O 3.45Å; A295-H300 VanDerWaalsContact CB-O 3.32Å; A295-H300 WeakPolarHBondContact CB-O 3.43Å; A295-H300 PolarHBondContact O-N 3.33Å; V298-H300 VanDerWaalsContact C-N 3.34Å; V298-H300 HydrophobicContact CG2-CB 4.01Å; V298-H300 PolarHBondContact O-N 3.17Å; V298-H300 PolarHBondContact O-ND1 2.87Å; H300-P328 WeakPolarHBondContact CA-O 3.24Å
301	T	98.7	Very high	97.9	Very high	8 Å²	8	27.4 Å²	27.4	5%	0.049	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	116.3	169.3	-57.6	0	0	0	0	108.1	V318 Y319 P323 P328 V329 V330	T301-V318 HydrophobicContact CG2-CG1 3.43Å; T301-V318 VanDerWaalsContact CG2-CG1 3.43Å; T301-Y319 CarbonylContact C-O 3.51Å; T301-Y319 WeakPolarHBondContact CA-O 3.48Å; T301-P323 HydrophobicContact CG2-CB 4.01Å; T301-P323 HydrophobicContact CG2-CG 3.76Å; T301-P323 WeakPolarHBondContact OG1-CB 3.44Å; T301-P328 PolarHBondContact N-O 3.08Å; T301-V329 HydrophobicContact CG2-CG1 4.48Å; T301-V329 HydrophobicContact CG2-CG2 4.22Å; T301-V329 CarbonylContact O-C 3.2Å; T301-V329 WeakPolarHBondContact O-CA 3.5Å; T301-V330 PolarHBondContact O-N 3.14Å
302	I	98.7	Very high	97.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	107	179.8	-48.2	174.1	0	0	0	107.9	T134 M291 L294 A295 V304 V318 Y319 V330 L332	T134-I302 HydrophobicContact CG2-CD1 3.68Å; T134-I302 HydrophobicContact CG2-CG1 4.09Å; M291-I302 HydrophobicContact CE-CD1 4.19Å; M291-I302 HydrophobicContact CE-CG2 4.06Å; L294-I302 HydrophobicContact CB-CD1 4.42Å; L294-I302 HydrophobicContact CD2-CD1 3.97Å; L294-I302 HydrophobicContact CG-CD1 3.93Å; A295-I302 HydrophobicContact CB-CD1 3.89Å; A295-I302 HydrophobicContact CB-CG1 4.05Å; I302-V304 HydrophobicContact CG2-CG2 3.83Å; I302-V318 WeakPolarHBondContact O-CA 3.47Å; I302-Y319 HydrophobicContact CB-CD2 4.36Å; I302-Y319 PolarHBondContact N-O 3.43Å; I302-Y319 WeakPolarHBondContact O-CD2 3.5Å; I302-Y319 PolarHBondContact O-N 3.36Å; I302-V330 HydrophobicContact CB-CG2 4.22Å; I302-V330 HydrophobicContact CG1-CG2 3.97Å; I302-V330 HydrophobicContact CG2-CG2 4.16Å; I302-L332 HydrophobicContact CG2-CD1 3.71Å; I302-L332 HydrophobicContact CG2-CG 4.17Å
303	Q	98.6	Very high	97.7	Very high	43 Å²	43	38.1 Å²	38.1	20%	0.201	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	124.7	173.2	179.3	178.5	-13.4	0	0	109.2	I316 V318 V329 V330 T331 L332	Q303-I316 HydrophobicContact CG-CG2 3.74Å; Q303-V318 HydrophobicContact CG-CG2 4.38Å; Q303-V329 HydrophobicContact CB-CG1 4.2Å; Q303-V330 PolarHBondContact N-O 3.24Å; Q303-T331 CarbonylContact O-C 3.39Å; Q303-T331 VanDerWaalsContact O-CA 3.29Å; Q303-T331 WeakPolarHBondContact O-CA 3.45Å; Q303-L332 PolarHBondContact O-N 2.85Å
304	V	98.6	Very high	97.5	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	121.6	-176.7	-173.5	0	0	0	0	110.5	I302 R306 I316 T317 Y319 L332 A334 Y340	I302-V304 HydrophobicContact CG2-CG2 3.83Å; V304-R306 HydrophobicContact CG1-CG 4.01Å; V304-R306 PolarHBondContact O-N 3.41Å; V304-I316 WeakPolarHBondContact O-CA 3.47Å; V304-T317 PolarHBondContact N-O 3.43Å; V304-T317 PolarHBondContact O-N 2.83Å; V304-Y319 HydrophobicContact CB-CE2 4.11Å; V304-Y319 HydrophobicContact CG2-CD2 3.9Å; V304-Y319 HydrophobicContact CG2-CE2 3.61Å; V304-L332 WeakPolarHBondContact CA-O 3.37Å; V304-L332 HydrophobicContact CG2-CB 4.27Å; V304-L332 HydrophobicContact CG2-CD1 4.45Å; V304-A334 HydrophobicContact CG1-CB 3.51Å; V304-Y340 HydrophobicContact CG1-CD1 4.31Å; V304-Y340 HydrophobicContact CG1-CE1 3.98Å; V304-Y340 HydrophobicContact CG2-CE1 4.33Å
305	Y	98.5	Very high	97.4	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.016	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	102.5	164.2	-71.5	-89	0	0	0	109.2	V113 K116 F117 L307 F315 I316 T331 L332 I333 A334	V113-Y305 HydrophobicContact CG2-CD1 3.72Å; V113-Y305 HydrophobicContact CG2-CD2 4.09Å; V113-Y305 HydrophobicContact CG2-CE1 4.25Å; V113-Y305 HydrophobicContact CG2-CG 3.64Å; K116-Y305 WeakPolarHBondContact CD-OH 3.42Å; K116-Y305 PolarHBondContact NZ-OH 3.37Å; F117-Y305 HydrophobicContact CE2-CE2 4.18Å; Y305-L307 PolarHBondContact O-N 3.43Å; Y305-F315 CarbonylContact C-O 3.56Å; Y305-F315 WeakPolarHBondContact CA-O 3.36Å; Y305-F315 AromaticContact CD1-CE1 3.77Å; Y305-F315 HydrophobicContact CD1-CE1 3.77Å; Y305-F315 HydrophobicContact CD1-CE2 4.42Å; Y305-F315 AromaticContact CD1-CZ 3.7Å; Y305-F315 HydrophobicContact CD1-CZ 3.7Å; Y305-F315 HydrophobicContact CE1-CE1 4.08Å; Y305-F315 HydrophobicContact CE1-CZ 4.36Å; Y305-I316 HydrophobicContact CD1-CD1 4.07Å; Y305-I316 HydrophobicContact CD1-CG1 3.7Å; Y305-I316 HydrophobicContact CE1-CD1 3.46Å; Y305-I316 VanDerWaalsContact CE1-CD1 3.46Å; Y305-I316 HydrophobicContact CE1-CG1 3.65Å; Y305-I316 HydrophobicContact CG-CG1 4.47Å; Y305-T331 HydrophobicContact CD2-CG2 3.83Å; Y305-T331 HydrophobicContact CE2-CG2 3.58Å; Y305-L332 PolarHBondContact N-O 2.83Å; Y305-I333 CarbonylContact O-C 3.6Å; Y305-A334 PolarHBondContact O-N 2.94Å
306	R	98	Very high	97.4	Very high	5 Å²	5	45.1 Å²	45.1	2%	0.019	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	92.4	178	-64	176.7	76.4	-162.4	5.5	108.8	V304 S308 K309 E314 F315 T317 A334 D337	V304-R306 HydrophobicContact CG1-CG 4.01Å; V304-R306 PolarHBondContact O-N 3.41Å; R306-S308 VanDerWaalsContact C-N 3.27Å; R306-S308 PolarHBondContact O-N 3.49Å; R306-K309 HydrophobicContact CB-CB 4.05Å; R306-K309 HydrophobicContact CB-CG 3.99Å; R306-K309 CarbonylContact O-C 3.59Å; R306-K309 WeakPolarHBondContact O-CA 3.4Å; R306-K309 WeakPolarHBondContact O-CB 3.37Å; R306-K309 PolarHBondContact O-N 2.83Å; R306-E314 VanDerWaalsContact NH1-CD 3.32Å; R306-E314 IonicContact NH1-OE1 2.95Å; R306-E314 PolarHBondContact NH1-OE1 2.85Å; R306-E314 IonicContact NH1-OE2 3.28Å; R306-F315 PolarHBondContact N-O 3.17Å; R306-T317 WeakPolarHBondContact CD-OG1 3.32Å; R306-A334 CarbonylContact C-O 3.43Å; R306-A334 WeakPolarHBondContact CA-O 3.29Å; R306-D337 IonicContact CZ-OD1 3.83Å; R306-D337 IonicContact NE-OD1 3.56Å; R306-D337 PolarHBondContact NE-OD1 3.35Å; R306-D337 IonicContact NH2-OD1 2.81Å; R306-D337 PolarHBondContact NH2-OD1 2.84Å; R306-D337 IonicContact NH2-OD2 2.94Å
307	L	97.6	Very high	97.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-65.9	-30.3	-170.4	-54	-166.8	0	0	0	112.8	C105 M106 Y110 V113 Y305 K309 Y310 F315 I333 A334 E335	C105-L307 PolarHBondContact SG-O 3.26Å; M106-L307 HydrophobicContact CE-CB 4.42Å; M106-L307 HydrophobicContact SD-CB 3.47Å; M106-L307 WeakPolarHBondContact SD-CB 3.5Å; M106-L307 HydrophobicContact SD-CD1 4.19Å; M106-L307 HydrophobicContact SD-CG 4.47Å; Y110-L307 HydrophobicContact CD1-CD1 4.18Å; Y110-L307 HydrophobicContact CD2-CD1 3.67Å; Y110-L307 HydrophobicContact CE1-CD1 3.86Å; Y110-L307 HydrophobicContact CE2-CD1 3.29Å; Y110-L307 HydrophobicContact CG-CD1 4.07Å; V113-L307 HydrophobicContact CG2-CD2 4.18Å; Y305-L307 PolarHBondContact O-N 3.43Å; L307-K309 PolarHBondContact O-N 3.22Å; L307-Y310 WeakPolarHBondContact O-CB 3.39Å; L307-Y310 PolarHBondContact O-N 2.9Å; L307-Y310 VanDerWaalsContact O-N 3.14Å; L307-F315 HydrophobicContact CD2-CE2 3.87Å; L307-F315 HydrophobicContact CD2-CZ 4.47Å; L307-I333 HydrophobicContact CD1-CG2 3.62Å; L307-I333 HydrophobicContact CD2-CG2 3.95Å; L307-I333 HydrophobicContact CG-CG2 3.68Å; L307-A334 PolarHBondContact N-O 3.09Å; L307-E335 HydrophobicContact CD1-CG 4.36Å
308	S	94.9	Very high	97.3	Very high	54 Å²	54	45.8 Å²	45.8	38%	0.378	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-62.4	-17.8	171.4	59.8	0	0	0	0	113.7	R306	R306-S308 VanDerWaalsContact C-N 3.27Å; R306-S308 PolarHBondContact O-N 3.49Å
309	K	96.4	Very high	97.3	Very high	66 Å²	66	45.6 Å²	45.6	29%	0.287	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-105.4	18.6	178.9	-57.2	-63.6	-172.9	146.3	0	112.4	R306 L307 T312 E314 F315	R306-K309 HydrophobicContact CB-CB 4.05Å; R306-K309 HydrophobicContact CB-CG 3.99Å; R306-K309 CarbonylContact O-C 3.59Å; R306-K309 WeakPolarHBondContact O-CA 3.4Å; R306-K309 WeakPolarHBondContact O-CB 3.37Å; R306-K309 PolarHBondContact O-N 2.83Å; L307-K309 PolarHBondContact O-N 3.22Å; K309-T312 PolarHBondContact O-N 3.28Å; K309-T312 VanDerWaalsContact O-N 3.07Å; K309-T312 PolarHBondContact O-OG1 3.11Å; K309-T312 VanDerWaalsContact O-OG1 3.06Å; K309-E314 HydrophobicContact CB-CB 3.95Å; K309-E314 HydrophobicContact CD-CB 4.47Å; K309-E314 WeakPolarHBondContact CD-OE2 3.49Å; K309-E314 VanDerWaalsContact CE-OE2 3.25Å; K309-E314 WeakPolarHBondContact CE-OE2 3.32Å; K309-E314 HydrophobicContact CG-CB 4.04Å; K309-E314 IonicContact NZ-OE2 3.57Å; K309-E314 PolarHBondContact NZ-OE2 2.79Å; K309-F315 WeakPolarHBondContact O-CB 3.48Å
310	Y	95.6	Very high	97.3	Very high	42 Å²	42	39.9 Å²	39.9	17%	0.165	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	141.6	173.3	179.8	-96.9	0	0	0	111	K108 E112 L307 T312 F315	K108-Y310 HydrophobicContact CB-CD1 4.03Å; K108-Y310 HydrophobicContact CB-CD2 4.32Å; K108-Y310 HydrophobicContact CB-CE1 3.52Å; K108-Y310 HydrophobicContact CB-CE2 3.84Å; K108-Y310 HydrophobicContact CB-CG 4.4Å; K108-Y310 VanDerWaalsContact CB-CZ 3.42Å; K108-Y310 HydrophobicContact CD-CD1 4.31Å; K108-Y310 HydrophobicContact CD-CE1 3.45Å; K108-Y310 VanDerWaalsContact CD-CE1 3.45Å; K108-Y310 HydrophobicContact CG-CE1 4.15Å; E112-Y310 HydrophobicContact CG-CD2 4.46Å; E112-Y310 HydrophobicContact CG-CE2 3.71Å; L307-Y310 WeakPolarHBondContact O-CB 3.39Å; L307-Y310 PolarHBondContact O-N 2.9Å; L307-Y310 VanDerWaalsContact O-N 3.14Å; Y310-T312 VanDerWaalsContact C-N 3.3Å; Y310-T312 PolarHBondContact O-N 3.08Å; Y310-F315 HydrophobicContact CD2-CD2 4.09Å; Y310-F315 AromaticContact CD2-CE2 3.85Å; Y310-F315 HydrophobicContact CD2-CE2 3.85Å; Y310-F315 HydrophobicContact CD2-CZ 4.2Å
311	N	94.1	Very high	97.1	Very high	131 Å²	131	44.3 Å²	44.3	70%	0.701	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.7	12.6	-169.6	-69.1	-28.1	0	0	0	116.7
312	T	97.1	Very high	96.9	Very high	70 Å²	70	50.8 Å²	50.8	43%	0.429	27%	0.267	S	S	.	.	S	Bend	trans	-117.2	168.4	168.8	85.5	0	0	0	0	111.1	K309 Y310 E314 F315	K309-T312 PolarHBondContact O-N 3.28Å; K309-T312 VanDerWaalsContact O-N 3.07Å; K309-T312 PolarHBondContact O-OG1 3.11Å; K309-T312 VanDerWaalsContact O-OG1 3.06Å; Y310-T312 VanDerWaalsContact C-N 3.3Å; Y310-T312 PolarHBondContact O-N 3.08Å; T312-E314 PolarHBondContact O-N 3.31Å; T312-E314 PolarHBondContact OG1-N 3.47Å; T312-E314 VanDerWaalsContact OG1-N 3.13Å; T312-F315 WeakPolarHBondContact O-CB 3.36Å; T312-F315 PolarHBondContact O-N 3.4Å
313	E	95.2	Very high	96.6	Very high	188 Å²	188	52.9 Å²	52.9	88%	0.879	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-63.1	-21	173.2	63.5	-177.5	177.9	0	0	113.1	F315	E313-F315 VanDerWaalsContact C-N 3.28Å; E313-F315 PolarHBondContact O-N 3.32Å
314	E	95.4	Very high	96.4	Very high	62 Å²	62	53.3 Å²	53.3	29%	0.29	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-81.6	-3.8	178.1	-60	-166.9	107.9	0	0	113.4	R306 K309 T312 I316 T317	R306-E314 VanDerWaalsContact NH1-CD 3.32Å; R306-E314 IonicContact NH1-OE1 2.95Å; R306-E314 PolarHBondContact NH1-OE1 2.85Å; R306-E314 IonicContact NH1-OE2 3.28Å; K309-E314 HydrophobicContact CB-CB 3.95Å; K309-E314 HydrophobicContact CD-CB 4.47Å; K309-E314 WeakPolarHBondContact CD-OE2 3.49Å; K309-E314 VanDerWaalsContact CE-OE2 3.25Å; K309-E314 WeakPolarHBondContact CE-OE2 3.32Å; K309-E314 HydrophobicContact CG-CB 4.04Å; K309-E314 IonicContact NZ-OE2 3.57Å; K309-E314 PolarHBondContact NZ-OE2 2.79Å; T312-E314 PolarHBondContact O-N 3.31Å; T312-E314 PolarHBondContact OG1-N 3.47Å; T312-E314 VanDerWaalsContact OG1-N 3.13Å; E314-I316 PolarHBondContact O-N 2.74Å; E314-I316 VanDerWaalsContact O-N 3.12Å; E314-T317 PolarHBondContact O-OG1 3.47Å; E314-T317 VanDerWaalsContact O-OG1 3.06Å
315	F	97.8	Very high	96.1	Very high	28 Å²	28	63.8 Å²	63.8	12%	0.123	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-51.3	-38.4	-180	175.5	-120.1	0	0	0	111.9	E112 Y305 R306 L307 K309 Y310 T312 E313	E112-F315 HydrophobicContact CB-CE1 3.89Å; E112-F315 HydrophobicContact CB-CZ 3.75Å; E112-F315 HydrophobicContact CG-CE1 4.16Å; E112-F315 HydrophobicContact CG-CZ 4.15Å; Y305-F315 CarbonylContact C-O 3.56Å; Y305-F315 WeakPolarHBondContact CA-O 3.36Å; Y305-F315 AromaticContact CD1-CE1 3.77Å; Y305-F315 HydrophobicContact CD1-CE1 3.77Å; Y305-F315 HydrophobicContact CD1-CE2 4.42Å; Y305-F315 AromaticContact CD1-CZ 3.7Å; Y305-F315 HydrophobicContact CD1-CZ 3.7Å; Y305-F315 HydrophobicContact CE1-CE1 4.08Å; Y305-F315 HydrophobicContact CE1-CZ 4.36Å; R306-F315 PolarHBondContact N-O 3.17Å; L307-F315 HydrophobicContact CD2-CE2 3.87Å; L307-F315 HydrophobicContact CD2-CZ 4.47Å; K309-F315 WeakPolarHBondContact O-CB 3.48Å; Y310-F315 HydrophobicContact CD2-CD2 4.09Å; Y310-F315 AromaticContact CD2-CE2 3.85Å; Y310-F315 HydrophobicContact CD2-CE2 3.85Å; Y310-F315 HydrophobicContact CD2-CZ 4.2Å; T312-F315 WeakPolarHBondContact O-CB 3.36Å; T312-F315 PolarHBondContact O-N 3.4Å; E313-F315 VanDerWaalsContact C-N 3.28Å; E313-F315 PolarHBondContact O-N 3.32Å
316	I	97.9	Very high	95.9	Very high	60 Å²	60	69.8 Å²	69.8	31%	0.308	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	112.4	167.2	-59.2	174.9	0	0	0	107.6	Q303 V304 Y305 E314 V318	Q303-I316 HydrophobicContact CG-CG2 3.74Å; V304-I316 WeakPolarHBondContact O-CA 3.47Å; Y305-I316 HydrophobicContact CD1-CD1 4.07Å; Y305-I316 HydrophobicContact CD1-CG1 3.7Å; Y305-I316 HydrophobicContact CE1-CD1 3.46Å; Y305-I316 VanDerWaalsContact CE1-CD1 3.46Å; Y305-I316 HydrophobicContact CE1-CG1 3.65Å; Y305-I316 HydrophobicContact CG-CG1 4.47Å; E314-I316 PolarHBondContact O-N 2.74Å; E314-I316 VanDerWaalsContact O-N 3.12Å; I316-V318 HydrophobicContact CG2-CG2 4.38Å
317	T	97.6	Very high	95.9	Very high	22 Å²	22	71 Å²	71	14%	0.135	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	134.5	171.9	-55	0	0	0	0	109.6	V304 R306 E314 Y319	V304-T317 PolarHBondContact N-O 3.43Å; V304-T317 PolarHBondContact O-N 2.83Å; R306-T317 WeakPolarHBondContact CD-OG1 3.32Å; E314-T317 PolarHBondContact O-OG1 3.47Å; E314-T317 VanDerWaalsContact O-OG1 3.06Å; T317-Y319 HydrophobicContact CG2-CD1 4.49Å; T317-Y319 HydrophobicContact CG2-CE1 3.8Å; T317-Y319 HydrophobicContact CG2-CE2 3.81Å; T317-Y319 VanDerWaalsContact CG2-CZ 3.41Å; T317-Y319 WeakPolarHBondContact CG2-OH 3.26Å
318	V	98.3	Very high	95.9	Very high	45 Å²	45	74.3 Å²	74.3	27%	0.273	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	130.4	179.1	-172.8	0	0	0	0	109.7	T301 I302 Q303 I316 P320 T321	T301-V318 HydrophobicContact CG2-CG1 3.43Å; T301-V318 VanDerWaalsContact CG2-CG1 3.43Å; I302-V318 WeakPolarHBondContact O-CA 3.47Å; Q303-V318 HydrophobicContact CG-CG2 4.38Å; I316-V318 HydrophobicContact CG2-CG2 4.38Å; V318-P320 CarbonylContact C-O 3.59Å; V318-P320 WeakPolarHBondContact CG1-O 3.47Å; V318-P320 CarbonylContact O-C 3.51Å; V318-T321 PolarHBondContact O-N 2.89Å
319	Y	98.2	Very high	96.1	Very high	0 Å²	0	75 Å²	75	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	117.5	178.7	-52.3	-85.8	0	0	0	109.8	Q288 M291 F292 A295 T301 I302 V304 T317	Q288-Y319 HydrophobicContact CG-CE1 4.23Å; Q288-Y319 WeakPolarHBondContact CG-OH 3.25Å; Q288-Y319 PolarHBondContact NE2-OH 2.82Å; M291-Y319 HydrophobicContact CB-CD1 3.81Å; M291-Y319 HydrophobicContact CB-CD2 4.18Å; M291-Y319 HydrophobicContact CB-CE1 3.91Å; M291-Y319 HydrophobicContact CB-CE2 4.29Å; M291-Y319 HydrophobicContact CB-CG 3.95Å; F292-Y319 AromaticContact CD1-CD1 3.93Å; F292-Y319 HydrophobicContact CD1-CD1 3.93Å; F292-Y319 AromaticContact CD2-CD1 3.5Å; F292-Y319 HydrophobicContact CD2-CD1 3.5Å; F292-Y319 AromaticContact CD2-CE1 3.86Å; F292-Y319 HydrophobicContact CD2-CE1 3.86Å; F292-Y319 AromaticContact CE1-CD1 3.8Å; F292-Y319 HydrophobicContact CE1-CD1 3.8Å; F292-Y319 HydrophobicContact CE1-CE1 4.49Å; F292-Y319 AromaticContact CE2-CD1 3.38Å; F292-Y319 HydrophobicContact CE2-CD1 3.38Å; F292-Y319 AromaticContact CE2-CE1 3.42Å; F292-Y319 HydrophobicContact CE2-CE1 3.42Å; F292-Y319 VanDerWaalsContact CE2-CE1 3.42Å; F292-Y319 AromaticContact CG-CD1 3.78Å; F292-Y319 HydrophobicContact CG-CD1 3.78Å; F292-Y319 AromaticContact CZ-CD1 3.52Å; F292-Y319 HydrophobicContact CZ-CD1 3.52Å; F292-Y319 AromaticContact CZ-CE1 3.77Å; F292-Y319 HydrophobicContact CZ-CE1 3.77Å; A295-Y319 VanDerWaalsContact CB-O 3.29Å; A295-Y319 WeakPolarHBondContact CB-O 3.19Å; T301-Y319 CarbonylContact C-O 3.51Å; T301-Y319 WeakPolarHBondContact CA-O 3.48Å; I302-Y319 HydrophobicContact CB-CD2 4.36Å; I302-Y319 PolarHBondContact N-O 3.43Å; I302-Y319 WeakPolarHBondContact O-CD2 3.5Å; I302-Y319 PolarHBondContact O-N 3.36Å; V304-Y319 HydrophobicContact CB-CE2 4.11Å; V304-Y319 HydrophobicContact CG2-CD2 3.9Å; V304-Y319 HydrophobicContact CG2-CE2 3.61Å; T317-Y319 HydrophobicContact CG2-CD1 4.49Å; T317-Y319 HydrophobicContact CG2-CE1 3.8Å; T317-Y319 HydrophobicContact CG2-CE2 3.81Å; T317-Y319 VanDerWaalsContact CG2-CZ 3.41Å; T317-Y319 WeakPolarHBondContact CG2-OH 3.26Å
320	P	97.6	Very high	96.1	Very high	4 Å²	4	71.9 Å²	71.9	3%	0.026	38%	0.379	C	S	.	.	S	Bend	cis	-72.1	168.1	-12.7	34.4	-37.9	0	0	0	113	F292 Y296 V318 D322 P323 W327	F292-P320 HydrophobicContact CD1-CB 4.23Å; Y296-P320 HydrophobicContact CD2-CB 4.39Å; Y296-P320 HydrophobicContact CE2-CB 3.61Å; Y296-P320 HydrophobicContact CE2-CG 3.94Å; V318-P320 CarbonylContact C-O 3.59Å; V318-P320 WeakPolarHBondContact CG1-O 3.47Å; V318-P320 CarbonylContact O-C 3.51Å; P320-D322 VanDerWaalsContact C-N 3.35Å; P320-D322 PolarHBondContact O-N 2.98Å; P320-P323 HydrophobicContact CG-CB 3.94Å; P320-P323 WeakPolarHBondContact O-CD 3.47Å; P320-W327 HydrophobicContact CG-CZ3 4Å
321	T	94.1	Very high	96.3	Very high	99 Å²	99	70.6 Å²	70.6	61%	0.607	38%	0.376	S	S	*	.	S	Bend	trans	-58.8	-44.3	-179.6	-48.8	0	0	0	0	112.3	V318 P323	V318-T321 PolarHBondContact O-N 2.89Å; T321-P323 VanDerWaalsContact O-CD 3.32Å; T321-P323 WeakPolarHBondContact O-CD 2.96Å
322	D	93.7	Very high	96.5	Very high	144 Å²	144	64.4 Å²	64.4	77%	0.77	34%	0.342	S	S	*	.	S	Bend	trans	-118.6	78.7	178.3	-61.4	-62.8	0	0	0	110	P320	P320-D322 VanDerWaalsContact C-N 3.35Å; P320-D322 PolarHBondContact O-N 2.98Å
323	P	93.1	Very high	96.6	Very high	44 Å²	44	61 Å²	61	29%	0.286	32%	0.322	S	S	.	.			trans	-74	149.1	-175.8	30.1	-33.6	0	0	0	112	T301 P320 T321 K325	T301-P323 HydrophobicContact CG2-CB 4.01Å; T301-P323 HydrophobicContact CG2-CG 3.76Å; T301-P323 WeakPolarHBondContact OG1-CB 3.44Å; P320-P323 HydrophobicContact CG-CB 3.94Å; P320-P323 WeakPolarHBondContact O-CD 3.47Å; T321-P323 VanDerWaalsContact O-CD 3.32Å; T321-P323 WeakPolarHBondContact O-CD 2.96Å; P323-K325 PolarHBondContact O-N 3.07Å
324	P	94.9	Very high	96.7	Very high	51 Å²	51	52.1 Å²	52.1	33%	0.331	28%	0.28	S	S	.	.			trans	-54.9	136.7	164.7	-24.5	35.7	0	0	0	111	D326 W327	P324-D326 WeakPolarHBondContact CB-OD1 2.81Å; P324-D326 PolarHBondContact O-N 3.02Å; P324-D326 VanDerWaalsContact O-N 3.1Å; P324-W327 HydrophobicContact CB-CD2 4.46Å; P324-W327 HydrophobicContact CB-CG 4.14Å; P324-W327 HydrophobicContact CG-CD2 4.09Å; P324-W327 HydrophobicContact CG-CG 4.29Å; P324-W327 HydrophobicContact CG-CZ2 3.99Å; P324-W327 WeakPolarHBondContact O-CB 3.48Å; P324-W327 PolarHBondContact O-N 2.98Å
325	K	92.7	Very high	96.6	Very high	220 Å²	220	50.8 Å²	50.8	96%	0.957	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-21.3	-174.1	-66.2	-174.7	178.8	-177.8	0	114	P323	P323-K325 PolarHBondContact O-N 3.07Å
326	D	94.5	Very high	96.3	Very high	130 Å²	130	51.3 Å²	51.3	70%	0.695	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-6.8	-179.9	63.3	-52.7	0	0	0	113.4	P324 P328	P324-D326 WeakPolarHBondContact CB-OD1 2.81Å; P324-D326 PolarHBondContact O-N 3.02Å; P324-D326 VanDerWaalsContact O-N 3.1Å; D326-P328 WeakPolarHBondContact O-CD 3.19Å
327	W	97.1	Very high	95.8	Very high	32 Å²	32	51.2 Å²	51.2	12%	0.121	28%	0.278	C	S	.	.	S	Bend	trans	-74.8	125.8	177.4	-75.3	20	0	0	0	110.9	A295 Y296 R299 P320 P324	A295-W327 WeakPolarHBondContact O-CZ3 3.44Å; Y296-W327 AromaticContact CD1-CH2 3.77Å; Y296-W327 HydrophobicContact CD1-CH2 3.77Å; Y296-W327 HydrophobicContact CD1-CZ2 4.48Å; Y296-W327 HydrophobicContact CD2-CH2 4.36Å; Y296-W327 HydrophobicContact CE1-CH2 4.15Å; Y296-W327 AromaticContact CG-CH2 3.9Å; Y296-W327 HydrophobicContact CG-CH2 3.9Å; R299-W327 VanDerWaalsContact C-CD2 3.47Å; R299-W327 HydrophobicContact CB-CD2 4.09Å; R299-W327 HydrophobicContact CB-CG 4.49Å; R299-W327 HydrophobicContact CB-CZ2 3.96Å; R299-W327 HydrophobicContact CG-CZ2 4.01Å; P320-W327 HydrophobicContact CG-CZ3 4Å; P324-W327 HydrophobicContact CB-CD2 4.46Å; P324-W327 HydrophobicContact CB-CG 4.14Å; P324-W327 HydrophobicContact CG-CD2 4.09Å; P324-W327 HydrophobicContact CG-CG 4.29Å; P324-W327 HydrophobicContact CG-CZ2 3.99Å; P324-W327 WeakPolarHBondContact O-CB 3.48Å; P324-W327 PolarHBondContact O-N 2.98Å
328	P	97.6	Very high	95.4	Very high	69 Å²	69	57.2 Å²	57.2	45%	0.448	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-60.8	144.1	173.3	-18.6	30.7	0	0	0	110.9	H300 T301 D326	H300-P328 WeakPolarHBondContact CA-O 3.24Å; T301-P328 PolarHBondContact N-O 3.08Å; D326-P328 WeakPolarHBondContact O-CD 3.19Å
329	V	98.2	Very high	95.1	Very high	68 Å²	68	57.3 Å²	57.3	41%	0.412	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	128.5	179.7	-176.5	0	0	0	0	109.6	Q141 T301 Q303	Q141-V329 PolarHBondContact OE1-O 2.74Å; T301-V329 HydrophobicContact CG2-CG1 4.48Å; T301-V329 HydrophobicContact CG2-CG2 4.22Å; T301-V329 CarbonylContact O-C 3.2Å; T301-V329 WeakPolarHBondContact O-CA 3.5Å; Q303-V329 HydrophobicContact CB-CG1 4.2Å
330	V	98.4	Very high	95.1	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.006	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	136.6	165.5	-63.6	0	0	0	0	109.1	T134 Q137 A138 T301 I302 Q303	T134-V330 HydrophobicContact CG2-CG2 4.27Å; Q137-V330 HydrophobicContact CB-CB 3.84Å; Q137-V330 HydrophobicContact CB-CG1 3.77Å; A138-V330 HydrophobicContact CB-CG1 4.01Å; T301-V330 PolarHBondContact O-N 3.14Å; I302-V330 HydrophobicContact CB-CG2 4.22Å; I302-V330 HydrophobicContact CG1-CG2 3.97Å; I302-V330 HydrophobicContact CG2-CG2 4.16Å; Q303-V330 PolarHBondContact N-O 3.24Å
331	T	98.6	Very high	95.2	Very high	15 Å²	15	57.8 Å²	57.8	9%	0.092	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	133.7	177.5	-54.5	0	0	0	0	109.9	F117 Q137 Q303 Y305 P343	F117-T331 HydrophobicContact CE2-CG2 3.93Å; F117-T331 HydrophobicContact CZ-CG2 3.88Å; Q137-T331 PolarHBondContact NE2-O 3.06Å; Q303-T331 CarbonylContact O-C 3.39Å; Q303-T331 VanDerWaalsContact O-CA 3.29Å; Q303-T331 WeakPolarHBondContact O-CA 3.45Å; Y305-T331 HydrophobicContact CD2-CG2 3.83Å; Y305-T331 HydrophobicContact CE2-CG2 3.58Å; T331-P343 HydrophobicContact CG2-CG 3.68Å; T331-P343 WeakPolarHBondContact O-CD 3.34Å
332	L	98.8	Very high	95.4	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	163.3	175.9	-50.8	-179.8	0	0	0	110.3	A133 Q137 M291 I302 Q303 V304 Y305 Y340 N341 I342	A133-L332 HydrophobicContact CB-CD1 4.21Å; A133-L332 HydrophobicContact CB-CD2 3.85Å; Q137-L332 HydrophobicContact CG-CD2 4.28Å; M291-L332 HydrophobicContact CE-CD1 4.43Å; I302-L332 HydrophobicContact CG2-CD1 3.71Å; I302-L332 HydrophobicContact CG2-CG 4.17Å; Q303-L332 PolarHBondContact O-N 2.85Å; V304-L332 WeakPolarHBondContact CA-O 3.37Å; V304-L332 HydrophobicContact CG2-CB 4.27Å; V304-L332 HydrophobicContact CG2-CD1 4.45Å; Y305-L332 PolarHBondContact N-O 2.83Å; L332-Y340 HydrophobicContact CB-CD1 4.23Å; L332-Y340 HydrophobicContact CD1-CD1 3.86Å; L332-N341 WeakPolarHBondContact CA-O 3.48Å; L332-I342 HydrophobicContact CD2-CG1 4.27Å
333	I	98.7	Very high	95.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	131.4	169.5	-58.7	160.9	0	0	0	107.3	I88 Y110 V113 I120 Y305 L307 Y340 N341 P343	I88-I333 HydrophobicContact CD1-CD1 4.06Å; Y110-I333 HydrophobicContact CE1-CD1 4.08Å; Y110-I333 HydrophobicContact CE1-CG2 4.1Å; V113-I333 HydrophobicContact CG1-CD1 3.82Å; V113-I333 HydrophobicContact CG1-CG1 4.13Å; V113-I333 HydrophobicContact CG2-CG1 4.3Å; I120-I333 HydrophobicContact CD1-CD1 3.8Å; I120-I333 HydrophobicContact CG1-CD1 4.19Å; Y305-I333 CarbonylContact O-C 3.6Å; L307-I333 HydrophobicContact CD1-CG2 3.62Å; L307-I333 HydrophobicContact CD2-CG2 3.95Å; L307-I333 HydrophobicContact CG-CG2 3.68Å; I333-Y340 CarbonylContact O-C 3.5Å; I333-Y340 VanDerWaalsContact O-CA 3.24Å; I333-Y340 WeakPolarHBondContact O-CA 3.24Å; I333-N341 HydrophobicContact CB-CB 4.4Å; I333-N341 PolarHBondContact N-O 3.16Å; I333-N341 PolarHBondContact O-N 3.13Å; I333-P343 HydrophobicContact CD1-CB 3.93Å; I333-P343 HydrophobicContact CD1-CG 4.13Å; I333-P343 HydrophobicContact CG1-CB 4.28Å; I333-P343 HydrophobicContact CG1-CG 3.94Å
334	A	97.9	Very high	95.7	Very high	1 Å²	1	45 Å²	45	1%	0.008	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	114.8	175.5	0	0	0	0	0	109	V304 Y305 R306 L307 D336 H339 Y340	V304-A334 HydrophobicContact CG1-CB 3.51Å; Y305-A334 PolarHBondContact O-N 2.94Å; R306-A334 CarbonylContact C-O 3.43Å; R306-A334 WeakPolarHBondContact CA-O 3.29Å; L307-A334 PolarHBondContact N-O 3.09Å; A334-D336 WeakPolarHBondContact CB-O 3.36Å; A334-H339 WeakPolarHBondContact CA-O 3.32Å; A334-Y340 HydrophobicContact CB-CD1 3.99Å; A334-Y340 HydrophobicContact CB-CE1 3.88Å
335	E	93.3	Very high	95.4	Very high	34 Å²	34	49.6 Å²	49.6	16%	0.159	24%	0.235	C	C	.	.	S	Bend	trans	-74.7	-33.5	174.3	-65	-171.8	153.7	0	0	110.9	Y91 W96 M106 Y110 L307 H339	Y91-E335 PolarHBondContact OH-OE1 2.88Å; W96-E335 HydrophobicContact CZ2-CB 4.44Å; W96-E335 HydrophobicContact CZ2-CG 4.4Å; W96-E335 WeakPolarHBondContact CZ2-OE2 3.42Å; W96-E335 PolarHBondContact NE1-OE1 3.2Å; M106-E335 HydrophobicContact CE-CB 4.42Å; M106-E335 WeakPolarHBondContact CE-O 3.24Å; M106-E335 HydrophobicContact SD-CB 4.34Å; Y110-E335 WeakPolarHBondContact OH-CG 3.49Å; Y110-E335 PolarHBondContact OH-OE1 2.82Å; L307-E335 HydrophobicContact CD1-CG 4.36Å; E335-H339 PolarHBondContact N-O 3.45Å
336	D	91.3	Very high	95	Very high	39 Å²	39	44.3 Å²	44.3	21%	0.209	22%	0.221	C	C	.	.	S	Bend	trans	-141	-177.7	167.6	67.6	18.7	0	0	0	109.1	A334 R338 H339	A334-D336 WeakPolarHBondContact CB-O 3.36Å; D336-R338 PolarHBondContact O-N 2.95Å; D336-R338 WeakPolarHBondContact OD1-CA 3.47Å; D336-R338 WeakPolarHBondContact OD1-CB 3.47Å; D336-R338 PolarHBondContact OD1-N 3.43Å; D336-H339 IonicContact OD1-CE1 2.7Å; D336-H339 IonicContact OD1-CG 3.42Å; D336-H339 PolarHBondContact OD1-N 3.3Å; D336-H339 IonicContact OD1-ND1 3.17Å; D336-H339 PolarHBondContact OD1-ND1 3.36Å; D336-H339 IonicContact OD2-CE1 3.48Å; D336-H339 PolarHBondContact OD2-CE1 3.17Å; D336-H339 IonicContact OD2-ND1 3.36Å; D336-H339 PolarHBondContact OD2-ND1 3.18Å
337	D	86.6	Confident	94.1	Very high	57 Å²	57	40 Å²	40	31%	0.305	20%	0.2	S	C	.	.	S	Bend	trans	-71.6	2	-176.7	-62	-45	0	0	0	114.2	R306	R306-D337 IonicContact CZ-OD1 3.83Å; R306-D337 IonicContact NE-OD1 3.56Å; R306-D337 PolarHBondContact NE-OD1 3.35Å; R306-D337 IonicContact NH2-OD1 2.81Å; R306-D337 PolarHBondContact NH2-OD1 2.84Å; R306-D337 IonicContact NH2-OD2 2.94Å
338	R	88.9	Confident	92.3	Very high	148 Å²	148	46.9 Å²	46.9	56%	0.558	23%	0.234	S	C	*	.	S	Bend	trans	-118.8	-29.7	-175.7	-63.7	-179.5	-67.5	-159.8	-5.4	114	D336	D336-R338 PolarHBondContact O-N 2.95Å; D336-R338 WeakPolarHBondContact OD1-CA 3.47Å; D336-R338 WeakPolarHBondContact OD1-CB 3.47Å; D336-R338 PolarHBondContact OD1-N 3.43Å
339	H	93.3	Very high	89.9	Confident	48 Å²	48	52.5 Å²	52.5	22%	0.222	25%	0.254	C	S	.	.			trans	-110.6	111.2	-171.9	-55	96.8	0	0	0	111.3	A334 E335 D336	A334-H339 WeakPolarHBondContact CA-O 3.32Å; E335-H339 PolarHBondContact N-O 3.45Å; D336-H339 IonicContact OD1-CE1 2.7Å; D336-H339 IonicContact OD1-CG 3.42Å; D336-H339 PolarHBondContact OD1-N 3.3Å; D336-H339 IonicContact OD1-ND1 3.17Å; D336-H339 PolarHBondContact OD1-ND1 3.36Å; D336-H339 IonicContact OD2-CE1 3.48Å; D336-H339 PolarHBondContact OD2-CE1 3.17Å; D336-H339 IonicContact OD2-ND1 3.36Å; D336-H339 PolarHBondContact OD2-ND1 3.18Å
340	Y	98.3	Very high	87.2	Confident	4 Å²	4	54.8 Å²	54.8	2%	0.016	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	132.8	-177.6	-65.5	-97.5	0	0	0	110.5	V123 C129 A130 M291 V304 L332 I333 A334	V123-Y340 WeakPolarHBondContact CB-O 3.47Å; V123-Y340 WeakPolarHBondContact CG2-O 3.48Å; C129-Y340 PolarHBondContact SG-N 3.32Å; C129-Y340 PolarHBondContact SG-O 3.46Å; A130-Y340 HydrophobicContact CB-CD2 3.8Å; A130-Y340 HydrophobicContact CB-CE2 3.72Å; M291-Y340 HydrophobicContact CE-CE1 4.01Å; V304-Y340 HydrophobicContact CG1-CD1 4.31Å; V304-Y340 HydrophobicContact CG1-CE1 3.98Å; V304-Y340 HydrophobicContact CG2-CE1 4.33Å; L332-Y340 HydrophobicContact CB-CD1 4.23Å; L332-Y340 HydrophobicContact CD1-CD1 3.86Å; I333-Y340 CarbonylContact O-C 3.5Å; I333-Y340 VanDerWaalsContact O-CA 3.24Å; I333-Y340 WeakPolarHBondContact O-CA 3.24Å; A334-Y340 HydrophobicContact CB-CD1 3.99Å; A334-Y340 HydrophobicContact CB-CE1 3.88Å
341	N	98.5	Very high	84.3	Confident	10 Å²	10	60.2 Å²	60.2	5%	0.053	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	167.1	169.6	-69.7	-47.6	0	0	0	110.2	Y91 I120 R122 V123 L332 I333	Y91-N341 PolarHBondContact OH-ND2 3.26Å; I120-N341 HydrophobicContact CD1-CB 3.7Å; I120-N341 HydrophobicContact CG1-CB 4Å; R122-N341 WeakPolarHBondContact CA-OD1 3.36Å; V123-N341 PolarHBondContact N-OD1 3.31Å; L332-N341 WeakPolarHBondContact CA-O 3.48Å; I333-N341 HydrophobicContact CB-CB 4.4Å; I333-N341 PolarHBondContact N-O 3.16Å; I333-N341 PolarHBondContact O-N 3.13Å
342	I	98.6	Very high	81.4	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	114.7	-177.3	-58.3	171.2	0	0	0	109.7	V82 I120 R121 V123 A133 F136 Q137 L332 V344	V82-I342 HydrophobicContact CG1-CD1 4.1Å; I120-I342 CarbonylContact C-O 3.47Å; I120-I342 WeakPolarHBondContact CA-O 3.42Å; R121-I342 HydrophobicContact CB-CB 4.36Å; R121-I342 PolarHBondContact N-O 2.75Å; R121-I342 PolarHBondContact O-N 3.32Å; V123-I342 HydrophobicContact CG2-CD1 3.84Å; V123-I342 HydrophobicContact CG2-CG1 3.73Å; A133-I342 HydrophobicContact CB-CG1 4.26Å; F136-I342 HydrophobicContact CB-CD1 3.91Å; F136-I342 HydrophobicContact CD1-CD1 3.51Å; F136-I342 HydrophobicContact CE1-CD1 4.34Å; F136-I342 HydrophobicContact CG-CD1 3.97Å; Q137-I342 HydrophobicContact CG-CB 4.42Å; Q137-I342 HydrophobicContact CG-CD1 4.27Å; Q137-I342 HydrophobicContact CG-CG1 4.23Å; Q137-I342 HydrophobicContact CG-CG2 3.37Å; L332-I342 HydrophobicContact CD2-CG1 4.27Å; I342-V344 HydrophobicContact CG2-CG1 3.77Å
343	P	98.1	Very high	80.5	Confident	0 Å²	0	74.3 Å²	74.3	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	136.1	165.4	26.2	-23.7	0	0	0	110.2	V113 F117 S119 T331 I333	V113-P343 HydrophobicContact CG1-CB 4.14Å; F117-P343 HydrophobicContact CB-CB 3.78Å; F117-P343 HydrophobicContact CD1-CB 3.83Å; F117-P343 HydrophobicContact CD2-CB 3.72Å; F117-P343 HydrophobicContact CD2-CG 4.25Å; F117-P343 HydrophobicContact CE1-CB 4.3Å; F117-P343 HydrophobicContact CE2-CB 4.2Å; F117-P343 HydrophobicContact CE2-CG 4.26Å; F117-P343 HydrophobicContact CG-CB 3.51Å; F117-P343 HydrophobicContact CG-CG 4.39Å; F117-P343 HydrophobicContact CZ-CB 4.47Å; F117-P343 HydrophobicContact CZ-CG 4.39Å; S119-P343 WeakPolarHBondContact O-CA 3.45Å; T331-P343 HydrophobicContact CG2-CG 3.68Å; T331-P343 WeakPolarHBondContact O-CD 3.34Å; I333-P343 HydrophobicContact CD1-CB 3.93Å; I333-P343 HydrophobicContact CD1-CG 4.13Å; I333-P343 HydrophobicContact CG1-CB 4.28Å; I333-P343 HydrophobicContact CG1-CG 3.94Å
344	V	94.4	Very high	79.6	Confident	17 Å²	17	78.2 Å²	78.2	10%	0.103	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	166.9	179.1	-61	0	0	0	0	110.4	E85 S119 R121 I342	E85-V344 HydrophobicContact CB-CG2 4.05Å; S119-V344 PolarHBondContact N-O 3.37Å; S119-V344 PolarHBondContact O-N 3.14Å; S119-V344 VanDerWaalsContact O-O 3.09Å; R121-V344 HydrophobicContact CG-CG1 4.19Å; R121-V344 HydrophobicContact CG-CG2 4.15Å; I342-V344 HydrophobicContact CG2-CG1 3.77Å
345	R	89.5	Confident	78.5	Confident	149 Å²	149	82.4 Å²	82.4	56%	0.562	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	60.4	88.1	-177.3	-53	-62.7	179.6	170.7	6.2	112.6	E85 F117 T118 C347	E85-R345 IonicContact OE1-CZ 2.93Å; E85-R345 IonicContact OE1-NE 2.81Å; E85-R345 PolarHBondContact OE1-NE 3Å; E85-R345 IonicContact OE1-NH2 3.77Å; E85-R345 PolarHBondContact OE1-NH2 3.33Å; E85-R345 IonicContact OE2-CZ 2.72Å; E85-R345 IonicContact OE2-NE 3.49Å; E85-R345 PolarHBondContact OE2-NE 2.99Å; E85-R345 IonicContact OE2-NH2 2.74Å; E85-R345 PolarHBondContact OE2-NH2 3.46Å; F117-R345 WeakPolarHBondContact CA-O 3.18Å; T118-R345 PolarHBondContact N-O 3.12Å; T118-R345 WeakPolarHBondContact OG1-CB 3.49Å; R345-C347 PolarHBondContact O-N 2.99Å
346	V	84.8	Confident	77.7	Confident	109 Å²	109	85.3 Å²	85.3	66%	0.661	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.4	129.5	176.9	-177.6	0	0	0	0	109.5	K116 F117 E348	K116-V346 CarbonylContact O-C 3.42Å; K116-V346 VanDerWaalsContact O-CA 3.26Å; K116-V346 WeakPolarHBondContact O-CA 3.05Å; F117-V346 HydrophobicContact CD1-CG2 4.27Å; F117-V346 HydrophobicContact CE1-CG2 3.95Å; V346-E348 PolarHBondContact O-N 3.22Å
347	C	75.9	Confident	76.8	Confident	40 Å²	40	88.2 Å²	88.2	27%	0.27	45%	0.45	S	S	.	.			trans	-62.6	125	173.4	-63	0	0	0	0	109.2	S114 K116 T118 R345 E349	S114-C347 PolarHBondContact O-SG 2.96Å; K116-C347 VanDerWaalsContact C-SG 3.53Å; K116-C347 PolarHBondContact O-N 3.5Å; T118-C347 WeakPolarHBondContact CG2-SG 3.25Å; R345-C347 PolarHBondContact O-N 2.99Å; C347-E349 PolarHBondContact O-N 3.09Å
348	E	58.8	Low	76.2	Confident	176 Å²	176	90.3 Å²	90.3	82%	0.822	46%	0.459	S	S	*	.			trans	-75.4	115	164.9	-68.9	-175.5	174.9	0	0	107.7	V346 T350	V346-E348 PolarHBondContact O-N 3.22Å; E348-T350 VanDerWaalsContact C-N 3.26Å; E348-T350 PolarHBondContact O-N 3.47Å
349	E	48.1	Very low	75.3	Confident	187 Å²	187	86.1 Å²	86.1	87%	0.874	45%	0.452	S	S	*	.			trans	-62.6	92.4	167.8	-91.1	-174.8	167.5	0	0	108.5	C347 S351	C347-E349 PolarHBondContact O-N 3.09Å; E349-S351 VanDerWaalsContact C-N 3.33Å; E349-S351 PolarHBondContact O-N 3.2Å; E349-S351 VanDerWaalsContact O-N 3.12Å
350	T	40	Very low	73.9	Confident	115 Å²	115	89.1 Å²	89.1	71%	0.706	47%	0.47	S	S	*	.			trans	-77.9	93.1	162.8	30.1	0	0	0	0	106.8	E348 L352	E348-T350 VanDerWaalsContact C-N 3.26Å; E348-T350 PolarHBondContact O-N 3.47Å; T350-L352 PolarHBondContact O-N 3.21Å
351	S	38.4	Very low	71.8	Confident	115 Å²	115	96.2 Å²	96.2	80%	0.804	51%	0.508	S	S	*	.			trans	-60	105.6	163	-62	0	0	0	0	107.4	E349	E349-S351 VanDerWaalsContact C-N 3.33Å; E349-S351 PolarHBondContact O-N 3.2Å; E349-S351 VanDerWaalsContact O-N 3.12Å
352	L	37	Very low	69.4	Low	236 Å²	236	104 Å²	104	100%	1.236	55%	0.549	S	S	*	.			trans	-77.3	0	172.6	-80.9	168.9	0	0	0	111.5	T350	T350-L352 PolarHBondContact O-N 3.21Å

Retrieved 352 of 352 residues in 69.3 ms (Link to these results)

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