A0A087XYB0_POEFO Loading...

heme oxygenase (biliverdin-producing)

AlphaFold DB , UniProt , Accession A0A087XYB0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 334 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	24.8	Very low	29.6	Very low	236 Å²	236	157 Å²	157	100%	1.163	73%	0.726	S	S	*	*				0	75.2	0	-153	-178.1	-139.6	0	0	107.9
2	F	18.8	Very low	30.3	Very low	209 Å²	209	150.1 Å²	150.1	92%	0.917	69%	0.694	S	S	*	*			trans	-132	92.8	177.1	-91.9	-81.8	0	0	0	107.2
3	F	21.7	Very low	30.7	Very low	214 Å²	214	148.9 Å²	148.9	94%	0.939	69%	0.686	S	S	*	*			trans	-82.8	109.1	166.2	-112.7	-96.5	0	0	0	106.8	R5	F3-R5 PolarHBondContact O-N 2.96Å; F3-R5 VanDerWaalsContact O-N 3.16Å
4	L	24.3	Very low	31.4	Very low	164 Å²	164	147.5 Å²	147.5	86%	0.859	68%	0.677	S	S	*	*			trans	-78	97.3	166.6	-84.5	164.9	0	0	0	108	W6	L4-W6 PolarHBondContact O-N 3.12Å
5	R	24.1	Very low	32	Very low	216 Å²	216	143.1 Å²	143.1	82%	0.815	66%	0.66	S	S	*	*			trans	-67.4	93.8	168.4	-174.4	174.7	-177.2	169.5	1.4	108.4	F3 N7	F3-R5 PolarHBondContact O-N 2.96Å; F3-R5 VanDerWaalsContact O-N 3.16Å; R5-N7 PolarHBondContact O-N 2.99Å; R5-N7 VanDerWaalsContact O-N 3.16Å
6	W	28.8	Very low	32.7	Very low	233 Å²	233	139.8 Å²	139.8	88%	0.883	65%	0.653	S	S	*	*			trans	-75.7	99.3	171.5	-163.7	-92	0	0	0	109.2	L4 N8	L4-W6 PolarHBondContact O-N 3.12Å; W6-N8 PolarHBondContact O-N 2.76Å
7	N	28.9	Very low	33.1	Very low	116 Å²	116	138.4 Å²	138.4	62%	0.62	65%	0.646	S	S	*	*			trans	-79.1	106.3	-176.3	-144.4	20.3	0	0	0	109.8	R5 T9	R5-N7 PolarHBondContact O-N 2.99Å; R5-N7 VanDerWaalsContact O-N 3.16Å; N7-T9 VanDerWaalsContact C-N 3.3Å; N7-T9 PolarHBondContact O-N 2.68Å; N7-T9 VanDerWaalsContact O-N 3.09Å
8	N	46.1	Very low	33.6	Very low	77 Å²	77	138.4 Å²	138.4	41%	0.412	64%	0.644	S	S	.	*			trans	-85.1	52.9	-171	-163.8	2.7	0	0	0	113.4	W6 L11 Q12	W6-N8 PolarHBondContact O-N 2.76Å; N8-L11 WeakPolarHBondContact OD1-CB 3.26Å; N8-Q12 WeakPolarHBondContact O-CB 3.15Å; N8-Q12 VanDerWaalsContact O-CG 3.23Å; N8-Q12 WeakPolarHBondContact O-CG 3.41Å
9	T	37.6	Very low	34	Very low	80 Å²	80	135.5 Å²	135.5	49%	0.491	63%	0.632	S	S	.	*	H	α-helix	trans	-94.3	-22.7	-178	41.7	0	0	0	0	114.2	N7 K13	N7-T9 VanDerWaalsContact C-N 3.3Å; N7-T9 PolarHBondContact O-N 2.68Å; N7-T9 VanDerWaalsContact O-N 3.09Å; T9-K13 WeakPolarHBondContact O-CD 3.47Å; T9-K13 VanDerWaalsContact O-CG 3.26Å; T9-K13 WeakPolarHBondContact O-CG 2.99Å; T9-K13 PolarHBondContact O-N 2.8Å
10	E	32.1	Very low	34.3	Very low	114 Å²	114	131.7 Å²	131.7	53%	0.533	62%	0.621	S	S	.	*	H	α-helix	trans	-83.9	-39.4	179.1	-95.4	-74.4	137	0	0	112.6	K13 K14	E10-K13 PolarHBondContact O-N 2.9Å; E10-K14 WeakPolarHBondContact O-CG 2.99Å; E10-K14 PolarHBondContact O-N 2.82Å; E10-K14 WeakPolarHBondContact OE2-CE 3.47Å; E10-K14 IonicContact OE2-NZ 3.77Å
11	L	38.1	Very low	34.6	Very low	68 Å²	68	130 Å²	130	36%	0.356	61%	0.613	S	S	.	*	H	α-helix	trans	-69.6	-41.4	178.5	-157.5	69.4	0	0	0	111	N8 K13 K14 I15	N8-L11 WeakPolarHBondContact OD1-CB 3.26Å; L11-K13 VanDerWaalsContact C-N 3.29Å; L11-K13 PolarHBondContact O-N 3.12Å; L11-K14 PolarHBondContact O-N 3.22Å; L11-I15 HydrophobicContact CG-CD1 4.18Å; L11-I15 VanDerWaalsContact O-CG1 3.26Å; L11-I15 WeakPolarHBondContact O-CG1 3.41Å; L11-I15 PolarHBondContact O-N 3.35Å
12	Q	38	Very low	35.4	Very low	74 Å²	74	124.3 Å²	124.3	35%	0.346	59%	0.587	S	S	.	*	H	α-helix	trans	-58.9	-38.7	173.7	-78.9	-76.6	-23.1	0	0	112	N8 T16 E240	N8-Q12 WeakPolarHBondContact O-CB 3.15Å; N8-Q12 VanDerWaalsContact O-CG 3.23Å; N8-Q12 WeakPolarHBondContact O-CG 3.41Å; Q12-T16 WeakPolarHBondContact O-CB 3.33Å; Q12-T16 PolarHBondContact O-N 3.06Å; Q12-T16 PolarHBondContact O-OG1 2.87Å; Q12-E240 PolarHBondContact NE2-OE1 3.08Å
13	K	36.3	Very low	36.4	Very low	135 Å²	135	121.7 Å²	121.7	59%	0.587	58%	0.58	S	S	*	*	H	α-helix	trans	-67.3	-42.7	174.1	-78.4	176.8	-177.7	-176.9	0	112.6	T9 E10 L11 T16 Q17	T9-K13 WeakPolarHBondContact O-CD 3.47Å; T9-K13 VanDerWaalsContact O-CG 3.26Å; T9-K13 WeakPolarHBondContact O-CG 2.99Å; T9-K13 PolarHBondContact O-N 2.8Å; E10-K13 PolarHBondContact O-N 2.9Å; L11-K13 VanDerWaalsContact C-N 3.29Å; L11-K13 PolarHBondContact O-N 3.12Å; K13-T16 PolarHBondContact O-N 2.98Å; K13-Q17 WeakPolarHBondContact O-CB 3.31Å; K13-Q17 PolarHBondContact O-N 3.07Å
14	K	40.2	Very low	37.2	Very low	129 Å²	129	119.4 Å²	119.4	56%	0.561	57%	0.572	S	S	*	*	H	α-helix	trans	-67.2	-36.9	178.2	-73.6	178.8	-176.8	-179.7	0	112.7	E10 L11 K18	E10-K14 WeakPolarHBondContact O-CG 2.99Å; E10-K14 PolarHBondContact O-N 2.82Å; E10-K14 WeakPolarHBondContact OE2-CE 3.47Å; E10-K14 IonicContact OE2-NZ 3.77Å; L11-K14 PolarHBondContact O-N 3.22Å; K14-K18 WeakPolarHBondContact O-CB 2.97Å; K14-K18 PolarHBondContact O-N 2.86Å; K14-K18 VanDerWaalsContact O-N 3.08Å
15	I	40.6	Very low	38	Very low	82 Å²	82	117.2 Å²	117.2	42%	0.421	57%	0.565	S	S	.	*	H	α-helix	trans	-65.5	-46.7	174.3	-68.3	165.5	0	0	0	110	L11 Q17 K18 M19	L11-I15 HydrophobicContact CG-CD1 4.18Å; L11-I15 VanDerWaalsContact O-CG1 3.26Å; L11-I15 WeakPolarHBondContact O-CG1 3.41Å; L11-I15 PolarHBondContact O-N 3.35Å; I15-Q17 PolarHBondContact O-N 3.12Å; I15-K18 PolarHBondContact O-N 2.75Å; I15-M19 HydrophobicContact CG2-SD 4.31Å; I15-M19 WeakPolarHBondContact O-CG 3.46Å; I15-M19 PolarHBondContact O-N 2.69Å
16	T	42.6	Very low	38.5	Very low	90 Å²	90	110.4 Å²	110.4	55%	0.552	56%	0.562	S	S	*	*	H	α-helix	trans	-62.6	-42.7	179.4	-53.9	0	0	0	0	112.1	Q12 K13 M19 S20	Q12-T16 WeakPolarHBondContact O-CB 3.33Å; Q12-T16 PolarHBondContact O-N 3.06Å; Q12-T16 PolarHBondContact O-OG1 2.87Å; K13-T16 PolarHBondContact O-N 2.98Å; T16-M19 PolarHBondContact O-N 3.42Å; T16-S20 PolarHBondContact O-N 2.73Å; T16-S20 VanDerWaalsContact O-N 3.17Å
17	Q	40	Very low	38.7	Very low	115 Å²	115	103.2 Å²	103.2	54%	0.537	55%	0.552	S	S	.	*	H	α-helix	trans	-66.1	-38.2	178.5	-176.2	171.5	-8.7	0	0	112.5	K13 I15 M19 S20 E21	K13-Q17 WeakPolarHBondContact O-CB 3.31Å; K13-Q17 PolarHBondContact O-N 3.07Å; I15-Q17 PolarHBondContact O-N 3.12Å; Q17-M19 VanDerWaalsContact C-N 3.35Å; Q17-S20 PolarHBondContact O-N 3.26Å; Q17-S20 PolarHBondContact O-OG 3.23Å; Q17-E21 PolarHBondContact NE2-OE1 3.44Å; Q17-E21 WeakPolarHBondContact O-CG 3.31Å; Q17-E21 PolarHBondContact O-N 3.41Å; Q17-E21 VanDerWaalsContact O-N 3.13Å
18	K	41.1	Very low	38.8	Very low	139 Å²	139	103.1 Å²	103.1	60%	0.604	56%	0.561	S	S	*	*	H	α-helix	trans	-72.4	-29.5	178.7	-162.7	140.9	-175.9	173.3	0	112.8	K14 I15 N22	K14-K18 WeakPolarHBondContact O-CB 2.97Å; K14-K18 PolarHBondContact O-N 2.86Å; K14-K18 VanDerWaalsContact O-N 3.08Å; I15-K18 PolarHBondContact O-N 2.75Å; K18-N22 PolarHBondContact O-N 3.45Å
19	M	41	Very low	38	Very low	84 Å²	84	105.7 Å²	105.7	41%	0.414	58%	0.579	S	S	.	*	H	α-helix	trans	-70.6	-34.3	172.2	-68.7	-174	89.4	0	0	112.3	I15 T16 Q17 M23	I15-M19 HydrophobicContact CG2-SD 4.31Å; I15-M19 WeakPolarHBondContact O-CG 3.46Å; I15-M19 PolarHBondContact O-N 2.69Å; T16-M19 PolarHBondContact O-N 3.42Å; Q17-M19 VanDerWaalsContact C-N 3.35Å; M19-M23 PolarHBondContact O-N 2.79Å
20	S	41.2	Very low	38	Very low	59 Å²	59	106.8 Å²	106.8	41%	0.413	59%	0.59	S	S	.	*	H	α-helix	trans	-72.2	-39.4	176	62.4	0	0	0	0	112.7	T16 Q17 N22 M23 E24	T16-S20 PolarHBondContact O-N 2.73Å; T16-S20 VanDerWaalsContact O-N 3.17Å; Q17-S20 PolarHBondContact O-N 3.26Å; Q17-S20 PolarHBondContact O-OG 3.23Å; S20-N22 VanDerWaalsContact C-N 3.27Å; S20-N22 PolarHBondContact O-N 3.33Å; S20-M23 PolarHBondContact O-N 3.14Å; S20-M23 VanDerWaalsContact O-N 3.13Å; S20-E24 PolarHBondContact O-N 2.95Å
21	E	41.2	Very low	37.9	Very low	97 Å²	97	109.1 Å²	109.1	45%	0.453	61%	0.606	S	S	.	*	H	α-helix	trans	-63.1	-32.2	178.2	-73.6	170.4	-174.2	0	0	112.6	Q17 T25	Q17-E21 PolarHBondContact NE2-OE1 3.44Å; Q17-E21 WeakPolarHBondContact O-CG 3.31Å; Q17-E21 PolarHBondContact O-N 3.41Å; Q17-E21 VanDerWaalsContact O-N 3.13Å; E21-T25 PolarHBondContact O-OG1 3.15Å; E21-T25 VanDerWaalsContact O-OG1 3.14Å
22	N	40.3	Very low	37.7	Very low	116 Å²	116	109.2 Å²	109.2	62%	0.62	62%	0.623	S	S	*	*	H	α-helix	trans	-76.7	-22.1	175.9	-74.6	-7.2	0	0	0	113.6	K18 S20 T25	K18-N22 PolarHBondContact O-N 3.45Å; S20-N22 VanDerWaalsContact C-N 3.27Å; S20-N22 PolarHBondContact O-N 3.33Å; N22-T25 PolarHBondContact O-OG1 2.92Å
23	M	40.8	Very low	37.3	Very low	154 Å²	154	111.7 Å²	111.7	76%	0.759	65%	0.649	S	S	*	*	H	α-helix	trans	-81	-29.4	175.9	-79.9	-179.5	103.2	0	0	112.7	M19 S20	M19-M23 PolarHBondContact O-N 2.79Å; S20-M23 PolarHBondContact O-N 3.14Å; S20-M23 VanDerWaalsContact O-N 3.13Å
24	E	37.9	Very low	37.2	Very low	166 Å²	166	109.2 Å²	109.2	78%	0.776	66%	0.662	S	S	*	*	H	α-helix	trans	-78.6	-20.7	-179.4	-72.3	-175.9	164.2	0	0	113.6	S20	S20-E24 PolarHBondContact O-N 2.95Å
25	T	41.8	Very low	36.6	Very low	117 Å²	117	108 Å²	108	72%	0.718	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-0.4	-176.3	43.1	0	0	0	0	114.6	E21 N22	E21-T25 PolarHBondContact O-OG1 3.15Å; E21-T25 VanDerWaalsContact O-OG1 3.14Å; N22-T25 PolarHBondContact O-OG1 2.92Å
26	G	34.4	Very low	36.6	Very low	73 Å²	73	111.6 Å²	111.6	75%	0.753	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	7.6	-176.2	0	0	0	0	0	117.5
27	A	33.3	Very low	35.8	Very low	82 Å²	82	110.8 Å²	110.8	68%	0.678	71%	0.71	S	S	*	*			trans	-104.1	107.1	-171.9	0	0	0	0	0	114.9
28	S	30.8	Very low	35.8	Very low	114 Å²	114	110.6 Å²	110.6	80%	0.797	73%	0.729	S	S	*	*			trans	69.8	136.6	165.1	85	0	0	0	0	116.4
29	V	29	Very low	35.2	Very low	132 Å²	132	107 Å²	107	80%	0.8	73%	0.731	S	S	*	*				-151.8	135.2	70.5	171.3	0	0	0	0	111.4
30	S	37.6	Very low	34.7	Very low	102 Å²	102	114.5 Å²	114.5	71%	0.713	76%	0.757	S	S	*	*			trans	-83.8	137.3	164	65.6	0	0	0	0	111.4
31	N	30.6	Very low	34.4	Very low	164 Å²	164	120.7 Å²	120.7	88%	0.877	78%	0.779	S	S	*	*			trans	-162.6	129.6	143.2	-101.5	-14	0	0	0	110.2
32	G	33.9	Very low	34.3	Very low	69 Å²	69	123.9 Å²	123.9	71%	0.711	79%	0.791	S	S	*	*			trans	-88.1	160.7	-178	0	0	0	0	0	114
33	S	29.7	Very low	34.2	Very low	127 Å²	127	127.4 Å²	127.4	89%	0.888	80%	0.804	S	S	*	*			trans	-171.9	125.3	152.1	-72.1	0	0	0	0	107.7
34	G	32.8	Very low	34.4	Very low	83 Å²	83	126.4 Å²	126.4	86%	0.856	80%	0.798	S	S	*	*			trans	-83	157.8	-172.2	0	0	0	0	0	115.1
35	A	28.9	Very low	35.2	Very low	102 Å²	102	121.4 Å²	121.4	84%	0.843	79%	0.79	S	S	*	*			trans	-158.3	130.9	152.2	0	0	0	0	0	109.2
36	V	39.1	Very low	36.3	Very low	159 Å²	159	123.9 Å²	123.9	96%	0.964	80%	0.799	S	S	*	*			trans	-78.6	131.3	-179.1	-179.1	0	0	0	0	109.5
37	G	27.5	Very low	38.2	Very low	72 Å²	72	124.9 Å²	124.9	74%	0.742	79%	0.787	S	S	*	*			trans	-162.4	109	171.6	0	0	0	0	0	110.9
38	A	40.1	Very low	40.8	Very low	112 Å²	112	123.2 Å²	123.2	93%	0.926	77%	0.77	S	S	*	*			trans	-62.7	135.1	179.4	0	0	0	0	0	112.2
39	G	27.6	Very low	43.4	Very low	64 Å²	64	123.2 Å²	123.2	66%	0.66	77%	0.768	S	S	*	*			trans	167.7	99.4	170	0	0	0	0	0	112.6
40	Y	31.3	Very low	46.2	Very low	240 Å²	240	122.3 Å²	122.3	94%	0.941	76%	0.755	S	S	*	*			trans	37.7	90.4	158.9	-67.3	-87	0	0	0	116.3	K42	Y40-K42 PolarHBondContact O-N 2.81Å
41	E	34.4	Very low	49	Very low	190 Å²	190	119.1 Å²	119.1	89%	0.888	73%	0.73	S	S	*	*			trans	-63.9	116.6	169	-72.8	178.6	163.6	0	0	110.2	E43	E41-E43 PolarHBondContact O-N 2.63Å
42	K	38	Very low	52.1	Low	163 Å²	163	111.4 Å²	111.4	71%	0.709	69%	0.688	S	S	*	*			trans	-57.4	105.1	155.3	-92.2	178	154.4	-146.3	0	108.4	Y40 E44	Y40-K42 PolarHBondContact O-N 2.81Å; K42-E44 IonicContact NZ-OE1 3.82Å; K42-E44 IonicContact NZ-OE2 2.8Å; K42-E44 PolarHBondContact NZ-OE2 3.11Å; K42-E44 PolarHBondContact O-N 3.28Å; K42-E44 VanDerWaalsContact O-N 3.08Å
43	E	38.2	Very low	55.1	Low	191 Å²	191	108.1 Å²	108.1	89%	0.893	66%	0.655	S	S	*	*			trans	-79.2	68.3	154.8	-75.4	-174.5	159.2	0	0	109	E41 G45	E41-E43 PolarHBondContact O-N 2.63Å; E43-G45 PolarHBondContact O-N 3.03Å
44	E	46.7	Very low	58.3	Low	133 Å²	133	105.2 Å²	105.2	62%	0.621	63%	0.627	S	S	*	*			trans	-83	98.5	149.8	-78	175.8	161.3	0	0	104	K42 N46	K42-E44 IonicContact NZ-OE1 3.82Å; K42-E44 IonicContact NZ-OE2 2.8Å; K42-E44 PolarHBondContact NZ-OE2 3.11Å; K42-E44 PolarHBondContact O-N 3.28Å; K42-E44 VanDerWaalsContact O-N 3.08Å; E44-N46 PolarHBondContact O-N 2.79Å
45	G	54.2	Low	61.3	Low	60 Å²	60	102.5 Å²	102.5	62%	0.619	59%	0.592	S	S	*	*			trans	-45.1	138.5	177.3	0	0	0	0	0	110.3	E43 L47	E43-G45 PolarHBondContact O-N 3.03Å; G45-L47 VanDerWaalsContact C-N 3.29Å; G45-L47 PolarHBondContact O-N 3.08Å
46	N	63.8	Low	64.6	Low	170 Å²	170	97.6 Å²	97.6	91%	0.909	55%	0.552	S	S	*	*			trans	-63.7	84.8	-172.4	-167.5	31.1	0	0	0	110.8	E44 S48	E44-N46 PolarHBondContact O-N 2.79Å; N46-S48 PolarHBondContact O-N 2.96Å
47	L	75.7	Confident	67.2	Low	93 Å²	93	91.8 Å²	91.8	49%	0.487	52%	0.52	S	S	.	.			trans	-68.7	127	-180	-70.4	166.4	0	0	0	109.5	G45 D51 E54	G45-L47 VanDerWaalsContact C-N 3.29Å; G45-L47 PolarHBondContact O-N 3.08Å; L47-D51 WeakPolarHBondContact CA-OD2 3.42Å; L47-D51 WeakPolarHBondContact CD2-OD2 3.41Å; L47-E54 HydrophobicContact CB-CG 4.21Å
48	S	88.2	Confident	70.5	Confident	48 Å²	48	91.9 Å²	91.9	34%	0.336	51%	0.514	S	S	.	.			trans	-81	143.6	174.4	178.9	0	0	0	0	110	N46 E50 D51	N46-S48 PolarHBondContact O-N 2.96Å; S48-E50 PolarHBondContact O-N 3.13Å; S48-E50 PolarHBondContact OG-N 3.44Å; S48-D51 PolarHBondContact N-OD2 3.22Å; S48-D51 WeakPolarHBondContact O-CB 3.46Å; S48-D51 PolarHBondContact O-N 2.91Å
49	P	84	Confident	73.1	Confident	114 Å²	114	88.1 Å²	88.1	74%	0.74	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-19.6	169.3	-24.5	34.6	0	0	0	114
50	E	89.2	Confident	76.3	Confident	113 Å²	113	85.3 Å²	85.3	53%	0.528	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	0.3	176.8	-59.4	-172.9	169.7	0	0	113.5	S48 K235	S48-E50 PolarHBondContact O-N 3.13Å; S48-E50 PolarHBondContact OG-N 3.44Å; E50-K235 PolarHBondContact O-NZ 3.39Å
51	D	95.3	Very high	79.3	Confident	35 Å²	35	79.8 Å²	79.8	19%	0.187	44%	0.437	C	S	.	.	S	Bend	trans	-63.5	137.2	171.3	-75.1	-15.3	0	0	0	109.6	L47 S48 S53 E54 M55	L47-D51 WeakPolarHBondContact CA-OD2 3.42Å; L47-D51 WeakPolarHBondContact CD2-OD2 3.41Å; S48-D51 PolarHBondContact N-OD2 3.22Å; S48-D51 WeakPolarHBondContact O-CB 3.46Å; S48-D51 PolarHBondContact O-N 2.91Å; D51-S53 PolarHBondContact O-N 3.37Å; D51-E54 HydrophobicContact CB-CB 4.49Å; D51-E54 HydrophobicContact CB-CG 4.26Å; D51-E54 PolarHBondContact O-N 3.34Å; D51-M55 WeakPolarHBondContact O-CG 3Å; D51-M55 PolarHBondContact O-N 3.32Å
52	L	96.4	Very high	82.1	Confident	2 Å²	2	75.4 Å²	75.4	1%	0.01	42%	0.417	C	S	.	.	H	α-helix	trans	-58.2	-38.1	-176.8	175.8	61.3	0	0	0	111.2	E54 M55 L56 V169 M225 N226 L228 L230 K235 L238	L52-E54 VanDerWaalsContact C-N 3.33Å; L52-E54 PolarHBondContact O-N 2.86Å; L52-M55 PolarHBondContact O-N 3.42Å; L52-L56 HydrophobicContact CD1-CD1 3.92Å; L52-L56 HydrophobicContact CD1-CG 3.95Å; L52-L56 HydrophobicContact CG-CD1 3.86Å; L52-L56 HydrophobicContact CG-CG 4.35Å; L52-L56 WeakPolarHBondContact O-CB 3.49Å; L52-L56 WeakPolarHBondContact O-CG 3.41Å; L52-L56 PolarHBondContact O-N 3.48Å; L52-V169 HydrophobicContact CD2-CG1 4.3Å; L52-M225 HydrophobicContact CD2-CB 4.27Å; L52-N226 PolarHBondContact N-OD1 3.46Å; L52-L228 HydrophobicContact CD2-CD1 4.17Å; L52-L230 HydrophobicContact CD2-CD1 4.02Å; L52-K235 HydrophobicContact CD1-CB 4.31Å; L52-K235 HydrophobicContact CD1-CG 4.26Å; L52-L238 HydrophobicContact CD1-CB 4.08Å; L52-L238 HydrophobicContact CD1-CD1 3.76Å; L52-L238 HydrophobicContact CD2-CD1 3.8Å; L52-L238 HydrophobicContact CG-CD1 4.46Å
53	S	96	Very high	84.6	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-59.6	-41.3	176.8	66	0	0	0	0	113.1	D51 A57 N226	D51-S53 PolarHBondContact O-N 3.37Å; S53-A57 WeakPolarHBondContact O-CB 3.41Å; S53-A57 PolarHBondContact O-N 3.34Å; S53-N226 WeakPolarHBondContact CB-OD1 3.4Å; S53-N226 PolarHBondContact N-OD1 2.92Å; S53-N226 PolarHBondContact OG-ND2 3.04Å; S53-N226 PolarHBondContact OG-OD1 2.97Å
54	E	96.2	Very high	87	Confident	65 Å²	65	62.6 Å²	62.6	30%	0.304	36%	0.36	S	S	.	.	H	α-helix	trans	-75.6	-41	-179.5	-63.6	-49.2	119.2	0	0	111	L47 D51 L52 L56 A57 A58	L47-E54 HydrophobicContact CB-CG 4.21Å; D51-E54 HydrophobicContact CB-CB 4.49Å; D51-E54 HydrophobicContact CB-CG 4.26Å; D51-E54 PolarHBondContact O-N 3.34Å; L52-E54 VanDerWaalsContact C-N 3.33Å; L52-E54 PolarHBondContact O-N 2.86Å; E54-L56 VanDerWaalsContact C-N 3.35Å; E54-L56 PolarHBondContact O-N 3.31Å; E54-A57 PolarHBondContact O-N 3.09Å; E54-A58 VanDerWaalsContact O-CB 3.28Å; E54-A58 WeakPolarHBondContact O-CB 3.4Å; E54-A58 PolarHBondContact O-N 3.06Å
55	M	97.7	Very high	89.1	Confident	26 Å²	26	60.6 Å²	60.6	13%	0.128	35%	0.351	C	S	.	.	H	α-helix	trans	-60.3	-43.7	174.5	-69.8	-174.4	66.1	0	0	112	D51 L52 G59 K235 K236 V239	D51-M55 WeakPolarHBondContact O-CG 3Å; D51-M55 PolarHBondContact O-N 3.32Å; L52-M55 PolarHBondContact O-N 3.42Å; M55-G59 PolarHBondContact O-N 3.46Å; M55-K235 HydrophobicContact CE-CB 3.87Å; M55-K235 HydrophobicContact SD-CB 3.8Å; M55-K235 HydrophobicContact SD-CD 3.86Å; M55-K235 HydrophobicContact SD-CG 4.44Å; M55-K236 HydrophobicContact CE-CG 4.12Å; M55-V239 HydrophobicContact CB-CG2 3.92Å
56	L	97.1	Very high	90.7	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-63.4	-50.9	175.2	-77.4	168.3	0	0	0	111	L52 E54 A58 G59 T60 Y173 M225 V239 A242	L52-L56 HydrophobicContact CD1-CD1 3.92Å; L52-L56 HydrophobicContact CD1-CG 3.95Å; L52-L56 HydrophobicContact CG-CD1 3.86Å; L52-L56 HydrophobicContact CG-CG 4.35Å; L52-L56 WeakPolarHBondContact O-CB 3.49Å; L52-L56 WeakPolarHBondContact O-CG 3.41Å; L52-L56 PolarHBondContact O-N 3.48Å; E54-L56 VanDerWaalsContact C-N 3.35Å; E54-L56 PolarHBondContact O-N 3.31Å; L56-A58 VanDerWaalsContact C-N 3.35Å; L56-A58 PolarHBondContact O-N 2.76Å; L56-G59 PolarHBondContact O-N 2.82Å; L56-T60 WeakPolarHBondContact O-CB 3.3Å; L56-T60 WeakPolarHBondContact O-CG2 3.42Å; L56-T60 PolarHBondContact O-N 3.25Å; L56-T60 PolarHBondContact O-OG1 3.12Å; L56-Y173 HydrophobicContact CB-CD1 4.23Å; L56-Y173 HydrophobicContact CB-CE1 3.76Å; L56-Y173 HydrophobicContact CB-CE2 4.36Å; L56-Y173 HydrophobicContact CD1-CD1 4.04Å; L56-Y173 HydrophobicContact CD1-CD2 4.12Å; L56-Y173 HydrophobicContact CD1-CE1 4.38Å; L56-Y173 HydrophobicContact CD1-CE2 4.45Å; L56-Y173 HydrophobicContact CD1-CG 3.9Å; L56-Y173 HydrophobicContact CD2-CD1 4.22Å; L56-Y173 HydrophobicContact CD2-CE1 4.43Å; L56-Y173 HydrophobicContact CG-CD1 4.42Å; L56-Y173 HydrophobicContact CG-CE1 4.43Å; L56-M225 HydrophobicContact CD1-CE 4.49Å; L56-M225 HydrophobicContact CD1-SD 3.99Å; L56-V239 HydrophobicContact CD2-CG2 4.22Å; L56-V239 HydrophobicContact CG-CG2 4.47Å; L56-A242 HydrophobicContact CD2-CB 3.55Å
57	A	94.7	Very high	91.6	Very high	36 Å²	36	54.9 Å²	54.9	30%	0.298	30%	0.303	S	S	.	.	H	α-helix	trans	-58.7	-44.8	-179.7	0	0	0	0	0	112.6	S53 E54 K61	S53-A57 WeakPolarHBondContact O-CB 3.41Å; S53-A57 PolarHBondContact O-N 3.34Å; E54-A57 PolarHBondContact O-N 3.09Å; A57-K61 PolarHBondContact O-N 3.43Å
58	A	95.4	Very high	91.9	Very high	74 Å²	74	55.5 Å²	55.5	61%	0.612	30%	0.303	S	S	*	.	H	α-helix	trans	-68.1	-45.7	177.8	0	0	0	0	0	111.9	E54 L56 K61	E54-A58 VanDerWaalsContact O-CB 3.28Å; E54-A58 WeakPolarHBondContact O-CB 3.4Å; E54-A58 PolarHBondContact O-N 3.06Å; L56-A58 VanDerWaalsContact C-N 3.35Å; L56-A58 PolarHBondContact O-N 2.76Å; A58-K61 WeakPolarHBondContact O-CB 3.45Å; A58-K61 PolarHBondContact O-N 3.27Å
59	G	95.6	Very high	91.7	Very high	33 Å²	33	57.7 Å²	57.7	34%	0.34	31%	0.311	S	S	.	.	H	α-helix	trans	-69.4	-32.8	-176.1	0	0	0	0	0	114	M55 L56	M55-G59 PolarHBondContact O-N 3.46Å; L56-G59 PolarHBondContact O-N 2.82Å
60	T	94.8	Very high	91.6	Very high	6 Å²	6	53.2 Å²	53.2	4%	0.037	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-1.6	178.7	64.8	0	0	0	0	113.7	L56 E62 V63 H64 A242 V243 F246	L56-T60 WeakPolarHBondContact O-CB 3.3Å; L56-T60 WeakPolarHBondContact O-CG2 3.42Å; L56-T60 PolarHBondContact O-N 3.25Å; L56-T60 PolarHBondContact O-OG1 3.12Å; T60-E62 PolarHBondContact O-N 3.33Å; T60-V63 WeakPolarHBondContact O-CG2 3.48Å; T60-V63 PolarHBondContact O-N 2.93Å; T60-H64 VanDerWaalsContact O-CB 3.28Å; T60-H64 WeakPolarHBondContact O-CB 3.43Å; T60-H64 PolarHBondContact O-N 2.94Å; T60-A242 HydrophobicContact CG2-CB 3.64Å; T60-V243 HydrophobicContact CG2-CG2 4.26Å; T60-F246 HydrophobicContact CG2-CD2 3.97Å; T60-F246 HydrophobicContact CG2-CE2 3.78Å
61	K	93.2	Very high	91.3	Very high	124 Å²	124	51.8 Å²	51.8	54%	0.539	28%	0.275	S	S	.	.	H	α-helix	trans	-55.1	-48.9	-174.3	-178.6	177.4	175	178.2	0	113	A57 A58 H64 E65	A57-K61 PolarHBondContact O-N 3.43Å; A58-K61 WeakPolarHBondContact O-CB 3.45Å; A58-K61 PolarHBondContact O-N 3.27Å; K61-H64 PolarHBondContact O-N 3.38Å; K61-E65 WeakPolarHBondContact CE-OE1 3.44Å; K61-E65 WeakPolarHBondContact O-CG 3.48Å; K61-E65 PolarHBondContact O-N 2.97Å
62	E	93.9	Very high	90.5	Very high	98 Å²	98	51.7 Å²	51.7	46%	0.458	27%	0.273	S	S	.	.	H	α-helix	trans	-64.8	-43.5	-176.9	-173.5	-174.3	159.2	0	0	111.9	T60 E65 K66	T60-E62 PolarHBondContact O-N 3.33Å; E62-E65 PolarHBondContact O-N 3.28Å; E62-K66 WeakPolarHBondContact O-CG 3.45Å; E62-K66 PolarHBondContact O-N 3.35Å; E62-K66 VanDerWaalsContact OE1-CE 3.29Å; E62-K66 WeakPolarHBondContact OE1-CE 3.31Å; E62-K66 IonicContact OE1-NZ 3.69Å; E62-K66 PolarHBondContact OE1-NZ 3.43Å
63	V	91	Very high	89.8	Confident	9 Å²	9	52.8 Å²	52.8	6%	0.055	28%	0.28	C	S	.	.	H	α-helix	trans	-72.2	-32.3	179.3	-69.3	0	0	0	0	112.3	T60 K66 A67 V243 F246	T60-V63 WeakPolarHBondContact O-CG2 3.48Å; T60-V63 PolarHBondContact O-N 2.93Å; V63-K66 PolarHBondContact O-N 3.25Å; V63-A67 WeakPolarHBondContact O-CB 3.34Å; V63-A67 PolarHBondContact O-N 3.45Å; V63-V243 HydrophobicContact CG1-CG1 4.04Å; V63-V243 HydrophobicContact CG2-CG2 4.23Å; V63-F246 HydrophobicContact CB-CB 3.94Å; V63-F246 HydrophobicContact CB-CG 4.29Å; V63-F246 HydrophobicContact CG2-CB 3.68Å; V63-F246 HydrophobicContact CG2-CD1 4.33Å; V63-F246 HydrophobicContact CG2-CD2 3.86Å; V63-F246 HydrophobicContact CG2-CG 3.7Å
64	H	89.1	Confident	89.3	Confident	76 Å²	76	56 Å²	56	35%	0.352	29%	0.294	S	S	.	.	H	α-helix	trans	-62.2	-49.9	171	-179.1	-81.2	0	0	0	111.3	T60 K61 K66 A67 E68 F246	T60-H64 VanDerWaalsContact O-CB 3.28Å; T60-H64 WeakPolarHBondContact O-CB 3.43Å; T60-H64 PolarHBondContact O-N 2.94Å; K61-H64 PolarHBondContact O-N 3.38Å; H64-K66 VanDerWaalsContact C-N 3.28Å; H64-K66 PolarHBondContact O-N 3.08Å; H64-A67 PolarHBondContact O-N 3.13Å; H64-E68 IonicContact CE1-OE1 3.82Å; H64-E68 PolarHBondContact CE1-OE1 3.44Å; H64-E68 IonicContact CE1-OE2 3.03Å; H64-E68 IonicContact ND1-OE1 3.18Å; H64-E68 IonicContact ND1-OE2 3.85Å; H64-E68 IonicContact NE2-OE1 3.31Å; H64-E68 PolarHBondContact O-N 3.29Å; H64-F246 HydrophobicContact CB-CE1 4.02Å; H64-F246 HydrophobicContact CB-CZ 4.23Å; H64-F246 AromaticContact CD2-CE1 3.98Å
65	E	88.9	Confident	88.9	Confident	91 Å²	91	54.9 Å²	54.9	43%	0.425	29%	0.29	S	S	.	.	H	α-helix	trans	-59	-38.6	176.3	-74	174.9	-172.5	0	0	111.9	K61 E62 N69	K61-E65 WeakPolarHBondContact CE-OE1 3.44Å; K61-E65 WeakPolarHBondContact O-CG 3.48Å; K61-E65 PolarHBondContact O-N 2.97Å; E62-E65 PolarHBondContact O-N 3.28Å; E65-N69 WeakPolarHBondContact O-CB 3.41Å; E65-N69 PolarHBondContact O-N 2.95Å; E65-N69 PolarHBondContact O-ND2 2.5Å
66	K	88	Confident	88.3	Confident	96 Å²	96	54.4 Å²	54.4	42%	0.417	29%	0.287	S	S	.	.	H	α-helix	trans	-65.7	-46.2	174.5	-74.5	174.6	-173.6	169.2	0	112.1	E62 V63 H64 E68 N69 T70 M250	E62-K66 WeakPolarHBondContact O-CG 3.45Å; E62-K66 PolarHBondContact O-N 3.35Å; E62-K66 VanDerWaalsContact OE1-CE 3.29Å; E62-K66 WeakPolarHBondContact OE1-CE 3.31Å; E62-K66 IonicContact OE1-NZ 3.69Å; E62-K66 PolarHBondContact OE1-NZ 3.43Å; V63-K66 PolarHBondContact O-N 3.25Å; H64-K66 VanDerWaalsContact C-N 3.28Å; H64-K66 PolarHBondContact O-N 3.08Å; K66-E68 PolarHBondContact O-N 3.25Å; K66-N69 CarbonylContact O-C 3.42Å; K66-N69 PolarHBondContact O-N 3.21Å; K66-T70 PolarHBondContact O-N 3.36Å; K66-M250 HydrophobicContact CB-CE 4.34Å; K66-M250 HydrophobicContact CB-SD 4.49Å
67	A	83.3	Confident	87.8	Confident	13 Å²	13	58.4 Å²	58.4	11%	0.107	31%	0.308	C	S	.	.	H	α-helix	trans	-59.4	-45.3	179.9	0	0	0	0	0	111.8	V63 H64 N69 T70 F246 M250	V63-A67 WeakPolarHBondContact O-CB 3.34Å; V63-A67 PolarHBondContact O-N 3.45Å; H64-A67 PolarHBondContact O-N 3.13Å; A67-N69 PolarHBondContact O-N 3.38Å; A67-T70 WeakPolarHBondContact O-CG2 3.24Å; A67-T70 PolarHBondContact O-N 3.41Å; A67-T70 PolarHBondContact O-OG1 3.07Å; A67-F246 HydrophobicContact CB-CD1 4.48Å; A67-M250 HydrophobicContact CB-CG 4.25Å
68	E	82.4	Confident	87.5	Confident	106 Å²	106	63.3 Å²	63.3	50%	0.495	32%	0.319	S	S	.	.	H	α-helix	trans	-63.5	-25.5	175.9	-70.3	-172.9	146.6	0	0	113.2	H64 K66	H64-E68 IonicContact CE1-OE1 3.82Å; H64-E68 PolarHBondContact CE1-OE1 3.44Å; H64-E68 IonicContact CE1-OE2 3.03Å; H64-E68 IonicContact ND1-OE1 3.18Å; H64-E68 IonicContact ND1-OE2 3.85Å; H64-E68 IonicContact NE2-OE1 3.31Å; H64-E68 PolarHBondContact O-N 3.29Å; K66-E68 PolarHBondContact O-N 3.25Å
69	N	83.6	Confident	87.1	Confident	94 Å²	94	60.7 Å²	60.7	50%	0.503	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	1.5	-178.4	-83.6	-64.5	0	0	0	114.8	E65 K66 A67 K74	E65-N69 WeakPolarHBondContact O-CB 3.41Å; E65-N69 PolarHBondContact O-N 2.95Å; E65-N69 PolarHBondContact O-ND2 2.5Å; K66-N69 CarbonylContact O-C 3.42Å; K66-N69 PolarHBondContact O-N 3.21Å; A67-N69 PolarHBondContact O-N 3.38Å; N69-K74 VanDerWaalsContact O-CE 3.31Å; N69-K74 WeakPolarHBondContact O-CE 3.5Å; N69-K74 PolarHBondContact O-NZ 3.48Å; N69-K74 WeakPolarHBondContact OD1-CE 3.48Å; N69-K74 PolarHBondContact OD1-NZ 2.77Å
70	T	81.8	Confident	86.7	Confident	21 Å²	21	67.2 Å²	67.2	13%	0.129	31%	0.314	C	S	.	.	S	Bend	trans	-62.1	151.3	172.9	59.1	0	0	0	0	111.4	K66 A67 F72 V73 K74	K66-T70 PolarHBondContact O-N 3.36Å; A67-T70 WeakPolarHBondContact O-CG2 3.24Å; A67-T70 PolarHBondContact O-N 3.41Å; A67-T70 PolarHBondContact O-OG1 3.07Å; T70-F72 VanDerWaalsContact C-N 3.33Å; T70-V73 PolarHBondContact O-N 3.38Å; T70-V73 WeakPolarHBondContact OG1-CB 3.48Å; T70-V73 VanDerWaalsContact OG1-CG2 3.22Å; T70-V73 WeakPolarHBondContact OG1-CG2 3.48Å; T70-V73 PolarHBondContact OG1-N 2.69Å; T70-K74 WeakPolarHBondContact O-CG 3.42Å; T70-K74 PolarHBondContact O-N 3.12Å; T70-K74 VanDerWaalsContact O-N 3.1Å
71	Q	82.3	Confident	86.3	Confident	82 Å²	82	68.1 Å²	68.1	38%	0.383	32%	0.318	S	S	.	.	H	α-helix	trans	-65.3	-40.7	-178.9	-175	57.5	37	0	0	110.8	V73 K74 D75	Q71-V73 PolarHBondContact O-N 2.86Å; Q71-K74 PolarHBondContact O-N 3.45Å; Q71-D75 PolarHBondContact NE2-OD1 3.43Å; Q71-D75 VanDerWaalsContact NE2-OD1 3.13Å; Q71-D75 PolarHBondContact NE2-OD2 2.94Å; Q71-D75 PolarHBondContact O-N 2.98Å
72	F	79.6	Confident	86	Confident	34 Å²	34	66.6 Å²	66.6	15%	0.149	31%	0.309	C	S	.	.	H	α-helix	trans	-50.7	-52.8	172.3	-178.1	-94.2	0	0	0	113	T70 K74 D75 F76 L85 F253 L256	T70-F72 VanDerWaalsContact C-N 3.33Å; F72-K74 PolarHBondContact O-N 3.03Å; F72-D75 PolarHBondContact O-N 2.91Å; F72-F76 WeakPolarHBondContact O-CB 3.46Å; F72-F76 PolarHBondContact O-N 3.1Å; F72-L85 HydrophobicContact CD2-CD2 4.31Å; F72-L85 HydrophobicContact CE2-CD1 4.5Å; F72-L85 HydrophobicContact CE2-CD2 3.85Å; F72-L85 HydrophobicContact CE2-CG 4.02Å; F72-F253 HydrophobicContact CD1-CB 4.29Å; F72-F253 AromaticContact CD1-CD1 3.86Å; F72-F253 HydrophobicContact CD1-CD1 3.86Å; F72-F253 HydrophobicContact CD1-CE1 4.46Å; F72-F253 HydrophobicContact CD1-CG 4.14Å; F72-F253 AromaticContact CE1-CD1 3.8Å; F72-F253 HydrophobicContact CE1-CD1 3.8Å; F72-F253 HydrophobicContact CE1-CE1 4.14Å; F72-F253 HydrophobicContact CG-CB 4.48Å; F72-L256 HydrophobicContact CE2-CB 4.22Å; F72-L256 HydrophobicContact CZ-CD1 4.36Å
73	V	82.1	Confident	86	Confident	25 Å²	25	66.9 Å²	66.9	15%	0.152	31%	0.309	C	S	.	.	H	α-helix	trans	-66.1	-40.2	-179.3	173.4	0	0	0	0	111.5	T70 Q71 D75 F76 L77	T70-V73 PolarHBondContact O-N 3.38Å; T70-V73 WeakPolarHBondContact OG1-CB 3.48Å; T70-V73 VanDerWaalsContact OG1-CG2 3.22Å; T70-V73 WeakPolarHBondContact OG1-CG2 3.48Å; T70-V73 PolarHBondContact OG1-N 2.69Å; Q71-V73 PolarHBondContact O-N 2.86Å; V73-D75 PolarHBondContact O-N 2.89Å; V73-F76 WeakPolarHBondContact O-CB 3.37Å; V73-F76 PolarHBondContact O-N 2.86Å; V73-L77 HydrophobicContact CG1-CD1 4.05Å; V73-L77 HydrophobicContact CG1-CG 4.39Å; V73-L77 WeakPolarHBondContact O-CG 3.15Å; V73-L77 PolarHBondContact O-N 2.71Å
74	K	85.7	Confident	86.1	Confident	68 Å²	68	70.5 Å²	70.5	30%	0.296	33%	0.325	S	S	.	.	H	α-helix	trans	-61.6	-44.1	176.7	-76.7	168.6	173	157.7	0	112.3	N69 T70 Q71 F72 R78	N69-K74 VanDerWaalsContact O-CE 3.31Å; N69-K74 WeakPolarHBondContact O-CE 3.5Å; N69-K74 PolarHBondContact O-NZ 3.48Å; N69-K74 WeakPolarHBondContact OD1-CE 3.48Å; N69-K74 PolarHBondContact OD1-NZ 2.77Å; T70-K74 WeakPolarHBondContact O-CG 3.42Å; T70-K74 PolarHBondContact O-N 3.12Å; T70-K74 VanDerWaalsContact O-N 3.1Å; Q71-K74 PolarHBondContact O-N 3.45Å; F72-K74 PolarHBondContact O-N 3.03Å; K74-R78 WeakPolarHBondContact O-CD 3.44Å; K74-R78 VanDerWaalsContact O-CG 3.28Å; K74-R78 WeakPolarHBondContact O-CG 3.49Å; K74-R78 PolarHBondContact O-N 3.16Å; K74-R78 VanDerWaalsContact O-N 3.16Å
75	D	86.1	Confident	86.2	Confident	40 Å²	40	67.6 Å²	67.6	21%	0.214	31%	0.312	C	S	.	.	H	α-helix	trans	-69.2	-37.3	177.1	-76.2	-26	0	0	0	111.5	Q71 F72 V73 R78 G79 R80	Q71-D75 PolarHBondContact NE2-OD1 3.43Å; Q71-D75 VanDerWaalsContact NE2-OD1 3.13Å; Q71-D75 PolarHBondContact NE2-OD2 2.94Å; Q71-D75 PolarHBondContact O-N 2.98Å; F72-D75 PolarHBondContact O-N 2.91Å; V73-D75 PolarHBondContact O-N 2.89Å; D75-R78 PolarHBondContact O-N 3.46Å; D75-R78 IonicContact OD1-NH1 3.46Å; D75-G79 PolarHBondContact O-N 3.31Å; D75-R80 HydrophobicContact CB-CB 4.11Å; D75-R80 PolarHBondContact O-N 3.49Å; D75-R80 IonicContact OD1-NH1 3.59Å
76	F	85.5	Confident	86.5	Confident	17 Å²	17	64.1 Å²	64.1	8%	0.075	30%	0.295	C	S	.	.	H	α-helix	trans	-55	-56.8	171.6	-167.2	-70.7	0	0	0	110.9	F72 V73 R78 G79 I81 F86 L186 V189 A190	F72-F76 WeakPolarHBondContact O-CB 3.46Å; F72-F76 PolarHBondContact O-N 3.1Å; V73-F76 WeakPolarHBondContact O-CB 3.37Å; V73-F76 PolarHBondContact O-N 2.86Å; F76-R78 PolarHBondContact O-N 3.2Å; F76-G79 WeakPolarHBondContact O-CA 3.25Å; F76-G79 PolarHBondContact O-N 2.7Å; F76-I81 HydrophobicContact CB-CD1 4.19Å; F76-I81 HydrophobicContact CB-CG1 4.15Å; F76-I81 HydrophobicContact CD1-CD1 3.63Å; F76-I81 HydrophobicContact CD1-CG1 4.49Å; F76-I81 HydrophobicContact CD2-CD1 3.38Å; F76-I81 HydrophobicContact CD2-CG1 3.72Å; F76-I81 HydrophobicContact CE1-CD1 3.69Å; F76-I81 HydrophobicContact CE2-CD1 3.5Å; F76-I81 HydrophobicContact CE2-CG1 4.23Å; F76-I81 HydrophobicContact CG-CD1 3.45Å; F76-I81 VanDerWaalsContact CG-CD1 3.45Å; F76-I81 HydrophobicContact CG-CG1 3.88Å; F76-I81 HydrophobicContact CZ-CD1 3.65Å; F76-F86 AromaticContact CE2-CD2 3.95Å; F76-F86 HydrophobicContact CE2-CD2 3.95Å; F76-F86 HydrophobicContact CE2-CE2 4.01Å; F76-F86 HydrophobicContact CZ-CD2 4.46Å; F76-F86 HydrophobicContact CZ-CE2 4.13Å; F76-L186 HydrophobicContact CD1-CD2 3.5Å; F76-L186 VanDerWaalsContact CD1-CD2 3.5Å; F76-L186 HydrophobicContact CE1-CB 3.84Å; F76-L186 HydrophobicContact CE1-CD2 3.42Å; F76-L186 VanDerWaalsContact CE1-CD2 3.42Å; F76-L186 HydrophobicContact CE1-CG 4.21Å; F76-L186 HydrophobicContact CG-CD2 4.44Å; F76-L186 HydrophobicContact CZ-CB 4.21Å; F76-L186 HydrophobicContact CZ-CD2 4.26Å; F76-V189 HydrophobicContact CD1-CG1 4.24Å; F76-V189 HydrophobicContact CE1-CB 4.23Å; F76-V189 HydrophobicContact CE1-CG1 4.24Å; F76-V189 WeakPolarHBondContact O-CG1 3.45Å; F76-A190 HydrophobicContact CZ-CB 4.04Å
77	L	86.2	Confident	86.9	Confident	84 Å²	84	60.4 Å²	60.4	44%	0.44	28%	0.279	S	S	.	.	H	α-helix	trans	-62.6	-26.9	-177.5	-68.5	174	0	0	0	113.4	V73 G79 V185 L186	V73-L77 HydrophobicContact CG1-CD1 4.05Å; V73-L77 HydrophobicContact CG1-CG 4.39Å; V73-L77 WeakPolarHBondContact O-CG 3.15Å; V73-L77 PolarHBondContact O-N 2.71Å; L77-G79 PolarHBondContact O-N 2.92Å; L77-V185 HydrophobicContact CD2-CG1 4.19Å; L77-L186 HydrophobicContact CD2-CD2 3.91Å
78	R	89.1	Confident	87.5	Confident	139 Å²	139	62.5 Å²	62.5	53%	0.525	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-6.2	172.3	-70.5	169.7	-178	152.8	-0.6	113.3	K74 D75 F76 R80	K74-R78 WeakPolarHBondContact O-CD 3.44Å; K74-R78 VanDerWaalsContact O-CG 3.28Å; K74-R78 WeakPolarHBondContact O-CG 3.49Å; K74-R78 PolarHBondContact O-N 3.16Å; K74-R78 VanDerWaalsContact O-N 3.16Å; D75-R78 PolarHBondContact O-N 3.46Å; D75-R78 IonicContact OD1-NH1 3.46Å; F76-R78 PolarHBondContact O-N 3.2Å; R78-R80 VanDerWaalsContact C-N 3.32Å; R78-R80 HydrophobicContact CB-CG 4.26Å
79	G	86.8	Confident	88.1	Confident	19 Å²	19	58.1 Å²	58.1	20%	0.196	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	17.1	-175.9	0	0	0	0	0	113.7	D75 F76 L77 I81 A193	D75-G79 PolarHBondContact O-N 3.31Å; F76-G79 WeakPolarHBondContact O-CA 3.25Å; F76-G79 PolarHBondContact O-N 2.7Å; L77-G79 PolarHBondContact O-N 2.92Å; G79-I81 PolarHBondContact O-N 2.99Å; G79-I81 VanDerWaalsContact O-N 3.15Å; G79-A193 WeakPolarHBondContact O-CB 3.48Å
80	R	87.6	Confident	88.8	Confident	170 Å²	170	54 Å²	54	64%	0.642	25%	0.251	S	S	*	.			trans	-88.5	64	176	-62.3	179.4	-175.1	168.3	-4.1	109.3	D75 R78	D75-R80 HydrophobicContact CB-CB 4.11Å; D75-R80 PolarHBondContact O-N 3.49Å; D75-R80 IonicContact OD1-NH1 3.59Å; R78-R80 VanDerWaalsContact C-N 3.32Å; R78-R80 HydrophobicContact CB-CG 4.26Å
81	I	85.3	Confident	89.6	Confident	25 Å²	25	53.3 Å²	53.3	13%	0.128	25%	0.246	C	C	.	.			trans	-115.8	127.9	-175.3	-55.7	158.8	0	0	0	108.5	F76 G79 F86 V189 A193 L194	F76-I81 HydrophobicContact CB-CD1 4.19Å; F76-I81 HydrophobicContact CB-CG1 4.15Å; F76-I81 HydrophobicContact CD1-CD1 3.63Å; F76-I81 HydrophobicContact CD1-CG1 4.49Å; F76-I81 HydrophobicContact CD2-CD1 3.38Å; F76-I81 HydrophobicContact CD2-CG1 3.72Å; F76-I81 HydrophobicContact CE1-CD1 3.69Å; F76-I81 HydrophobicContact CE2-CD1 3.5Å; F76-I81 HydrophobicContact CE2-CG1 4.23Å; F76-I81 HydrophobicContact CG-CD1 3.45Å; F76-I81 VanDerWaalsContact CG-CD1 3.45Å; F76-I81 HydrophobicContact CG-CG1 3.88Å; F76-I81 HydrophobicContact CZ-CD1 3.65Å; G79-I81 PolarHBondContact O-N 2.99Å; G79-I81 VanDerWaalsContact O-N 3.15Å; I81-F86 HydrophobicContact CG2-CB 3.89Å; I81-F86 HydrophobicContact CG2-CD2 4.23Å; I81-V189 HydrophobicContact CD1-CG1 4.12Å; I81-A193 HydrophobicContact CD1-CB 4.35Å; I81-L194 HydrophobicContact CB-CD2 4.5Å; I81-L194 HydrophobicContact CG2-CD2 4.28Å
82	R	88.1	Confident	90.4	Very high	92 Å²	92	49.7 Å²	49.7	35%	0.347	23%	0.23	S	C	.	.			trans	-86.3	137.3	171.4	-71.7	174.1	-71.6	-173.3	-4.3	109.6	E84 L85 F86 G260 I263	R82-E84 VanDerWaalsContact C-N 3.35Å; R82-E84 PolarHBondContact O-N 3.16Å; R82-L85 HydrophobicContact CB-CB 4.12Å; R82-L85 WeakPolarHBondContact O-CB 2.98Å; R82-L85 PolarHBondContact O-N 3.07Å; R82-L85 VanDerWaalsContact O-N 3.1Å; R82-F86 PolarHBondContact O-N 2.73Å; R82-G260 PolarHBondContact NH1-O 3.41Å; R82-G260 PolarHBondContact NH2-O 3Å; R82-I263 PolarHBondContact NH1-O 3.08Å; R82-I263 VanDerWaalsContact NH1-O 3.14Å
83	K	92.6	Very high	91.3	Very high	104 Å²	104	49.4 Å²	49.4	45%	0.452	23%	0.23	S	C	.	.	H	α-helix	trans	-56.5	-46.9	-178.4	-172.5	177.8	178.8	179.4	0	112.2	L85 F86 K87 L194	K83-L85 VanDerWaalsContact C-N 3.29Å; K83-L85 PolarHBondContact O-N 2.61Å; K83-F86 WeakPolarHBondContact O-CB 3.38Å; K83-F86 PolarHBondContact O-N 2.97Å; K83-K87 HydrophobicContact CG-CD 4.33Å; K83-K87 VanDerWaalsContact O-CG 3.31Å; K83-K87 WeakPolarHBondContact O-CG 3.28Å; K83-K87 PolarHBondContact O-N 3.22Å; K83-L194 HydrophobicContact CB-CD2 4Å
84	E	93.1	Very high	92.1	Very high	85 Å²	85	49.5 Å²	49.5	40%	0.397	23%	0.228	S	C	.	.	H	α-helix	trans	-61.8	-38	178	-68.1	-52.5	126.5	0	0	112.5	R82 K87 L88 I263	R82-E84 VanDerWaalsContact C-N 3.35Å; R82-E84 PolarHBondContact O-N 3.16Å; E84-K87 WeakPolarHBondContact O-CB 3.45Å; E84-K87 PolarHBondContact O-N 2.73Å; E84-K87 IonicContact OE1-NZ 2.68Å; E84-K87 PolarHBondContact OE1-NZ 3.4Å; E84-K87 IonicContact OE2-NZ 2.99Å; E84-K87 PolarHBondContact OE2-NZ 2.94Å; E84-L88 WeakPolarHBondContact O-CG 3.46Å; E84-L88 PolarHBondContact O-N 3.39Å; E84-L88 VanDerWaalsContact O-N 3.08Å; E84-I263 HydrophobicContact CB-CD1 4.12Å; E84-I263 HydrophobicContact CB-CG2 4.43Å
85	L	92.3	Very high	92.7	Very high	14 Å²	14	48.4 Å²	48.4	7%	0.073	22%	0.224	C	C	.	.	H	α-helix	trans	-69.2	-38.3	176.4	-172.2	59.5	0	0	0	112.2	F72 R82 K83 K87 L88 G89 L256 I263	F72-L85 HydrophobicContact CD2-CD2 4.31Å; F72-L85 HydrophobicContact CE2-CD1 4.5Å; F72-L85 HydrophobicContact CE2-CD2 3.85Å; F72-L85 HydrophobicContact CE2-CG 4.02Å; R82-L85 HydrophobicContact CB-CB 4.12Å; R82-L85 WeakPolarHBondContact O-CB 2.98Å; R82-L85 PolarHBondContact O-N 3.07Å; R82-L85 VanDerWaalsContact O-N 3.1Å; K83-L85 VanDerWaalsContact C-N 3.29Å; K83-L85 PolarHBondContact O-N 2.61Å; L85-K87 VanDerWaalsContact C-N 3.33Å; L85-L88 PolarHBondContact O-N 3.42Å; L85-G89 PolarHBondContact O-N 3.43Å; L85-L256 HydrophobicContact CD1-CB 3.98Å; L85-L256 HydrophobicContact CD1-CD2 4.19Å; L85-L256 WeakPolarHBondContact CD1-O 3.46Å; L85-I263 HydrophobicContact CB-CD1 4.39Å
86	F	94.8	Very high	93.3	Very high	18 Å²	18	46.8 Å²	46.8	8%	0.079	22%	0.215	C	C	.	.	H	α-helix	trans	-61.3	-42.7	173.3	-175.3	-96.7	0	0	0	111.7	F76 I81 R82 K83 G89 A90 F135 A190 L194 L203 Y206	F76-F86 AromaticContact CE2-CD2 3.95Å; F76-F86 HydrophobicContact CE2-CD2 3.95Å; F76-F86 HydrophobicContact CE2-CE2 4.01Å; F76-F86 HydrophobicContact CZ-CD2 4.46Å; F76-F86 HydrophobicContact CZ-CE2 4.13Å; I81-F86 HydrophobicContact CG2-CB 3.89Å; I81-F86 HydrophobicContact CG2-CD2 4.23Å; R82-F86 PolarHBondContact O-N 2.73Å; K83-F86 WeakPolarHBondContact O-CB 3.38Å; K83-F86 PolarHBondContact O-N 2.97Å; F86-G89 PolarHBondContact O-N 3.06Å; F86-A90 PolarHBondContact O-N 2.85Å; F86-F135 HydrophobicContact CD1-CE1 4.36Å; F86-F135 AromaticContact CD1-CE2 3.93Å; F86-F135 HydrophobicContact CD1-CE2 3.93Å; F86-F135 AromaticContact CD1-CZ 3.65Å; F86-F135 HydrophobicContact CD1-CZ 3.65Å; F86-F135 AromaticContact CE1-CE2 3.63Å; F86-F135 HydrophobicContact CE1-CE2 3.63Å; F86-F135 AromaticContact CE1-CZ 3.5Å; F86-F135 HydrophobicContact CE1-CZ 3.5Å; F86-A190 HydrophobicContact CD2-CB 4.43Å; F86-A190 HydrophobicContact CE2-CB 3.71Å; F86-A190 HydrophobicContact CZ-CB 4.05Å; F86-L194 HydrophobicContact CB-CD1 3.65Å; F86-L194 HydrophobicContact CD1-CD1 3.52Å; F86-L194 HydrophobicContact CD2-CD1 3.85Å; F86-L194 HydrophobicContact CE1-CD1 4.11Å; F86-L194 HydrophobicContact CE2-CD1 4.4Å; F86-L194 HydrophobicContact CG-CD1 3.37Å; F86-L203 HydrophobicContact CE1-CD2 4.2Å; F86-L203 HydrophobicContact CZ-CD2 3.62Å; F86-Y206 HydrophobicContact CE2-CE2 4.5Å; F86-Y206 HydrophobicContact CZ-CE2 4.17Å
87	K	96.4	Very high	94	Very high	19 Å²	19	46 Å²	46	8%	0.083	21%	0.212	C	C	.	.	H	α-helix	trans	-60	-45.7	176.2	-70.7	169.3	58.6	-157.1	0	111.9	K83 E84 L85 G89 A90 V91 F135 Y136	K83-K87 HydrophobicContact CG-CD 4.33Å; K83-K87 VanDerWaalsContact O-CG 3.31Å; K83-K87 WeakPolarHBondContact O-CG 3.28Å; K83-K87 PolarHBondContact O-N 3.22Å; E84-K87 WeakPolarHBondContact O-CB 3.45Å; E84-K87 PolarHBondContact O-N 2.73Å; E84-K87 IonicContact OE1-NZ 2.68Å; E84-K87 PolarHBondContact OE1-NZ 3.4Å; E84-K87 IonicContact OE2-NZ 2.99Å; E84-K87 PolarHBondContact OE2-NZ 2.94Å; L85-K87 VanDerWaalsContact C-N 3.33Å; K87-G89 VanDerWaalsContact C-N 3.31Å; K87-G89 PolarHBondContact O-N 3.42Å; K87-A90 WeakPolarHBondContact O-CB 3.46Å; K87-A90 PolarHBondContact O-N 2.92Å; K87-A90 VanDerWaalsContact O-N 3.13Å; K87-V91 WeakPolarHBondContact O-CG2 3.42Å; K87-V91 PolarHBondContact O-N 2.88Å; K87-F135 HydrophobicContact CD-CB 4.08Å; K87-F135 HydrophobicContact CD-CD1 4.16Å; K87-F135 HydrophobicContact CD-CG 4.31Å; K87-F135 HydrophobicContact CG-CB 3.79Å; K87-F135 HydrophobicContact CG-CD1 3.74Å; K87-F135 HydrophobicContact CG-CD2 4.28Å; K87-F135 HydrophobicContact CG-CE1 4.43Å; K87-F135 HydrophobicContact CG-CG 3.67Å; K87-Y136 HydrophobicContact CB-CE2 3.85Å; K87-Y136 WeakPolarHBondContact CB-OH 3.23Å; K87-Y136 HydrophobicContact CG-CE2 4.27Å
88	L	96.2	Very high	94.6	Very high	56 Å²	56	43 Å²	43	29%	0.293	20%	0.197	S	C	.	.	H	α-helix	trans	-62.2	-38.8	175.7	-67.3	174.5	0	0	0	112.2	E84 L85 V91 A92 L256 I259 I263	E84-L88 WeakPolarHBondContact O-CG 3.46Å; E84-L88 PolarHBondContact O-N 3.39Å; E84-L88 VanDerWaalsContact O-N 3.08Å; L85-L88 PolarHBondContact O-N 3.42Å; L88-V91 WeakPolarHBondContact O-CB 3.23Å; L88-V91 PolarHBondContact O-N 3.44Å; L88-A92 PolarHBondContact O-N 3.33Å; L88-L256 HydrophobicContact CB-CD2 3.57Å; L88-I259 HydrophobicContact CD1-CG2 3.63Å; L88-I263 HydrophobicContact CD1-CD1 4.48Å
89	G	96	Very high	95	Very high	14 Å²	14	36.4 Å²	36.4	14%	0.144	17%	0.173	C	C	.	.	H	α-helix	trans	-60.2	-43.2	171.2	0	0	0	0	0	112.7	L85 F86 K87 V91 A92 L93	L85-G89 PolarHBondContact O-N 3.43Å; F86-G89 PolarHBondContact O-N 3.06Å; K87-G89 VanDerWaalsContact C-N 3.31Å; K87-G89 PolarHBondContact O-N 3.42Å; G89-V91 VanDerWaalsContact C-N 3.32Å; G89-V91 PolarHBondContact O-N 3.25Å; G89-A92 PolarHBondContact O-N 3.33Å; G89-L93 WeakPolarHBondContact O-CG 3.49Å; G89-L93 PolarHBondContact O-N 2.97Å
90	A	98	Very high	95.6	Very high	8 Å²	8	35.5 Å²	35.5	7%	0.066	16%	0.164	C	C	.	.	H	α-helix	trans	-63.6	-36.3	175.1	0	0	0	0	0	112.4	F86 K87 L93 Y94 L132	F86-A90 PolarHBondContact O-N 2.85Å; K87-A90 WeakPolarHBondContact O-CB 3.46Å; K87-A90 PolarHBondContact O-N 2.92Å; K87-A90 VanDerWaalsContact O-N 3.13Å; A90-L93 PolarHBondContact O-N 2.62Å; A90-Y94 WeakPolarHBondContact O-CB 3.18Å; A90-Y94 PolarHBondContact O-N 3.31Å; A90-L132 HydrophobicContact CB-CD2 4.03Å
91	V	98.6	Very high	96.2	Very high	6 Å²	6	28 Å²	28	4%	0.036	14%	0.136	C	C	.	.	H	α-helix	trans	-63.8	-45.7	173.2	172	0	0	0	0	111.3	K87 L88 G89 L93 Y94 H95 L132 Y136 I144	K87-V91 WeakPolarHBondContact O-CG2 3.42Å; K87-V91 PolarHBondContact O-N 2.88Å; L88-V91 WeakPolarHBondContact O-CB 3.23Å; L88-V91 PolarHBondContact O-N 3.44Å; G89-V91 VanDerWaalsContact C-N 3.32Å; G89-V91 PolarHBondContact O-N 3.25Å; V91-L93 VanDerWaalsContact C-N 3.32Å; V91-L93 PolarHBondContact O-N 3.45Å; V91-Y94 PolarHBondContact O-N 3.16Å; V91-H95 PolarHBondContact O-CD2 3.46Å; V91-H95 VanDerWaalsContact O-CD2 3.27Å; V91-H95 PolarHBondContact O-N 2.86Å; V91-H95 VanDerWaalsContact O-N 3.09Å; V91-L132 HydrophobicContact CG2-CD2 3.62Å; V91-Y136 HydrophobicContact CG2-CE2 4.01Å; V91-I144 HydrophobicContact CG1-CB 4.01Å; V91-I144 HydrophobicContact CG1-CD1 4.4Å; V91-I144 HydrophobicContact CG2-CB 3.87Å; V91-I144 HydrophobicContact CG2-CG2 3.49Å; V91-I144 VanDerWaalsContact CG2-CG2 3.49Å
92	A	98.5	Very high	96.8	Very high	6 Å²	6	31.6 Å²	31.6	5%	0.05	15%	0.152	C	C	.	.	H	α-helix	trans	-60.3	-43.5	177.4	0	0	0	0	0	111.7	L88 G89 T96 T150 V252	L88-A92 PolarHBondContact O-N 3.33Å; G89-A92 PolarHBondContact O-N 3.33Å; A92-T96 WeakPolarHBondContact O-CB 3.33Å; A92-T96 PolarHBondContact O-N 2.79Å; A92-T96 PolarHBondContact O-OG1 2.95Å; A92-T150 HydrophobicContact CB-CG2 4.2Å; A92-T150 VanDerWaalsContact CB-OG1 3.3Å; A92-T150 WeakPolarHBondContact CB-OG1 3.26Å; A92-T150 WeakPolarHBondContact O-CG2 3.45Å; A92-V252 HydrophobicContact CB-CG1 3.81Å
93	L	98.5	Very high	97.3	Very high	28 Å²	28	27.2 Å²	27.2	15%	0.147	14%	0.135	C	C	.	.	H	α-helix	trans	-61.8	-47.7	173.7	-68.1	171.9	0	0	0	111.3	G89 A90 V91 H95 T96 Y97 L128 F205	G89-L93 WeakPolarHBondContact O-CG 3.49Å; G89-L93 PolarHBondContact O-N 2.97Å; A90-L93 PolarHBondContact O-N 2.62Å; V91-L93 VanDerWaalsContact C-N 3.32Å; V91-L93 PolarHBondContact O-N 3.45Å; L93-H95 VanDerWaalsContact C-N 3.35Å; L93-H95 PolarHBondContact O-N 3.36Å; L93-T96 PolarHBondContact O-N 3.49Å; L93-Y97 HydrophobicContact CB-CD2 4.42Å; L93-Y97 HydrophobicContact CD2-CD2 4.41Å; L93-Y97 HydrophobicContact CD2-CE2 3.83Å; L93-Y97 VanDerWaalsContact O-CD2 3.27Å; L93-Y97 WeakPolarHBondContact O-CD2 3.09Å; L93-Y97 PolarHBondContact O-N 3.46Å; L93-L128 HydrophobicContact CB-CD1 4.11Å; L93-L128 HydrophobicContact CB-CD2 3.71Å; L93-L128 HydrophobicContact CD1-CD2 4.42Å; L93-F205 HydrophobicContact CD1-CD1 4.24Å; L93-F205 HydrophobicContact CD1-CE1 3.94Å; L93-F205 HydrophobicContact CD1-CE2 4.45Å; L93-F205 HydrophobicContact CD1-CZ 4.05Å; L93-F205 HydrophobicContact CD2-CZ 4.31Å
94	Y	98.9	Very high	97.6	Very high	27 Å²	27	22.4 Å²	22.4	11%	0.106	11%	0.114	C	C	.	.	H	α-helix	trans	-53.6	-50.3	179.3	172.1	-98.3	0	0	0	112	A90 V91 T98 H125 L128 A129 L132 W140 I144	A90-Y94 WeakPolarHBondContact O-CB 3.18Å; A90-Y94 PolarHBondContact O-N 3.31Å; V91-Y94 PolarHBondContact O-N 3.16Å; Y94-T98 VanDerWaalsContact O-CB 3.27Å; Y94-T98 WeakPolarHBondContact O-CB 3.39Å; Y94-T98 PolarHBondContact O-N 3.41Å; Y94-T98 PolarHBondContact O-OG1 3Å; Y94-H125 AromaticContact CE2-CE1 3.52Å; Y94-H125 AromaticContact CE2-ND1 3.65Å; Y94-H125 AromaticContact CZ-CE1 3.77Å; Y94-H125 PolarHBondContact OH-CE1 2.89Å; Y94-L128 HydrophobicContact CD2-CB 4.05Å; Y94-A129 HydrophobicContact CE2-CB 4.21Å; Y94-L132 VanDerWaalsContact CB-CD1 3.46Å; Y94-L132 HydrophobicContact CD1-CD1 3.95Å; Y94-L132 HydrophobicContact CD2-CD1 3.88Å; Y94-L132 HydrophobicContact CG-CD1 3.46Å; Y94-L132 VanDerWaalsContact CG-CD1 3.46Å; Y94-W140 HydrophobicContact CD1-CZ3 4.2Å; Y94-W140 HydrophobicContact CD2-CH2 4.19Å; Y94-W140 HydrophobicContact CD2-CZ3 4.4Å; Y94-W140 AromaticContact CE1-CH2 3.99Å; Y94-W140 HydrophobicContact CE1-CH2 3.99Å; Y94-W140 AromaticContact CE1-CZ3 3.85Å; Y94-W140 HydrophobicContact CE1-CZ3 3.85Å; Y94-W140 AromaticContact CE2-CH2 3.52Å; Y94-W140 HydrophobicContact CE2-CH2 3.52Å; Y94-W140 HydrophobicContact CE2-CZ3 4.06Å; Y94-W140 HydrophobicContact CG-CZ3 4.47Å; Y94-W140 AromaticContact CZ-CH2 3.42Å; Y94-W140 VanDerWaalsContact CZ-CH2 3.42Å; Y94-W140 AromaticContact CZ-CZ3 3.78Å; Y94-I144 HydrophobicContact CD1-CD1 3.92Å; Y94-I144 HydrophobicContact CE1-CD1 4.13Å
95	H	98.9	Very high	97.9	Very high	45 Å²	45	21.6 Å²	21.6	21%	0.208	11%	0.111	C	C	.	.	H	α-helix	trans	-64.8	-43.8	178.3	-73.7	-67.5	0	0	0	112.5	V91 L93 T98 A99 T150 V154	V91-H95 PolarHBondContact O-CD2 3.46Å; V91-H95 VanDerWaalsContact O-CD2 3.27Å; V91-H95 PolarHBondContact O-N 2.86Å; V91-H95 VanDerWaalsContact O-N 3.09Å; L93-H95 VanDerWaalsContact C-N 3.35Å; L93-H95 PolarHBondContact O-N 3.36Å; H95-T98 PolarHBondContact O-N 3.49Å; H95-A99 PolarHBondContact O-N 3.49Å; H95-T150 HydrophobicContact CB-CG2 3.82Å; H95-V154 HydrophobicContact CB-CG2 4.11Å
96	T	98.8	Very high	98.2	Very high	6 Å²	6	27.8 Å²	27.8	4%	0.037	13%	0.133	C	C	.	.	H	α-helix	trans	-59.8	-49.5	178.9	-59.8	0	0	0	0	112.1	A92 L93 A99 M100 Y153 I157	A92-T96 WeakPolarHBondContact O-CB 3.33Å; A92-T96 PolarHBondContact O-N 2.79Å; A92-T96 PolarHBondContact O-OG1 2.95Å; L93-T96 PolarHBondContact O-N 3.49Å; T96-A99 PolarHBondContact O-N 3.07Å; T96-M100 WeakPolarHBondContact O-CB 3.37Å; T96-M100 PolarHBondContact O-N 3.41Å; T96-Y153 HydrophobicContact CG2-CD1 3.56Å; T96-Y153 HydrophobicContact CG2-CE1 3.38Å; T96-I157 HydrophobicContact CG2-CD1 3.9Å
97	Y	98.9	Very high	98.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-73.1	-32.6	-178.8	-80.1	-102.3	0	0	0	111.8	L93 M100 E101 R124 L128 R175 Y176 D179 F205	L93-Y97 HydrophobicContact CB-CD2 4.42Å; L93-Y97 HydrophobicContact CD2-CD2 4.41Å; L93-Y97 HydrophobicContact CD2-CE2 3.83Å; L93-Y97 VanDerWaalsContact O-CD2 3.27Å; L93-Y97 WeakPolarHBondContact O-CD2 3.09Å; L93-Y97 PolarHBondContact O-N 3.46Å; Y97-M100 HydrophobicContact CD1-CE 3.45Å; Y97-M100 VanDerWaalsContact CD1-CE 3.45Å; Y97-M100 HydrophobicContact CE1-CE 3.64Å; Y97-M100 HydrophobicContact CG-CE 4.12Å; Y97-M100 PolarHBondContact O-N 2.94Å; Y97-E101 WeakPolarHBondContact CD1-OE1 3.45Å; Y97-E101 WeakPolarHBondContact O-CB 3.38Å; Y97-E101 VanDerWaalsContact O-CG 3.24Å; Y97-E101 WeakPolarHBondContact O-CG 3.27Å; Y97-E101 PolarHBondContact O-N 2.49Å; Y97-R124 HydrophobicContact CD1-CB 3.51Å; Y97-R124 HydrophobicContact CD1-CG 3.56Å; Y97-R124 HydrophobicContact CE1-CB 3.9Å; Y97-R124 HydrophobicContact CE1-CG 3.41Å; Y97-R124 VanDerWaalsContact CE1-CG 3.41Å; Y97-R124 HydrophobicContact CG-CB 4.02Å; Y97-R124 HydrophobicContact CG-CG 4.45Å; Y97-L128 HydrophobicContact CD2-CD1 3.98Å; Y97-L128 HydrophobicContact CG-CD1 3.95Å; Y97-R175 HydrophobicContact CE1-CB 4.35Å; Y97-R175 VanDerWaalsContact OH-CZ 3.31Å; Y97-R175 PolarHBondContact OH-NE 3.03Å; Y97-R175 PolarHBondContact OH-NH2 3.16Å; Y97-Y176 AromaticContact CD1-CE1 3.97Å; Y97-Y176 HydrophobicContact CD1-CE1 3.97Å; Y97-Y176 AromaticContact CE1-CD1 3.94Å; Y97-Y176 HydrophobicContact CE1-CD1 3.94Å; Y97-Y176 AromaticContact CE1-CE1 3.61Å; Y97-Y176 HydrophobicContact CE1-CE1 3.61Å; Y97-D179 PolarHBondContact OH-OD1 3.15Å; Y97-D179 VanDerWaalsContact OH-OD1 3.05Å; Y97-D179 PolarHBondContact OH-OD2 3.04Å; Y97-F205 HydrophobicContact CD2-CE2 4.4Å; Y97-F205 HydrophobicContact CE1-CE2 4.21Å; Y97-F205 AromaticContact CE2-CE2 3.84Å; Y97-F205 HydrophobicContact CE2-CE2 3.84Å; Y97-F205 HydrophobicContact CE2-CZ 4.2Å; Y97-F205 AromaticContact CZ-CE2 3.71Å
98	T	98.9	Very high	98.4	Very high	21 Å²	21	30 Å²	30	13%	0.129	14%	0.143	C	C	.	.	H	α-helix	trans	-58.3	-52.1	172.4	-58	0	0	0	0	110.4	Y94 H95 M100 E101 E102 H125	Y94-T98 VanDerWaalsContact O-CB 3.27Å; Y94-T98 WeakPolarHBondContact O-CB 3.39Å; Y94-T98 PolarHBondContact O-N 3.41Å; Y94-T98 PolarHBondContact O-OG1 3Å; H95-T98 PolarHBondContact O-N 3.49Å; T98-M100 VanDerWaalsContact C-N 3.35Å; T98-M100 PolarHBondContact O-N 2.91Å; T98-E101 PolarHBondContact O-N 3.36Å; T98-E102 HydrophobicContact CG2-CG 4.5Å; T98-E102 WeakPolarHBondContact O-CB 3.26Å; T98-E102 VanDerWaalsContact O-CG 3.25Å; T98-E102 WeakPolarHBondContact O-CG 3.25Å; T98-E102 PolarHBondContact O-N 3.45Å; T98-H125 PolarHBondContact OG1-CE1 3.12Å; T98-H125 PolarHBondContact OG1-ND1 2.82Å
99	A	98.9	Very high	98.5	Very high	2 Å²	2	33.8 Å²	33.8	2%	0.017	16%	0.164	C	C	.	.	H	α-helix	trans	-61.2	-43.7	178.1	0	0	0	0	0	112.1	H95 T96 E103 V154 I157 H158	H95-A99 PolarHBondContact O-N 3.49Å; T96-A99 PolarHBondContact O-N 3.07Å; A99-E103 WeakPolarHBondContact O-CG 3.45Å; A99-E103 PolarHBondContact O-N 3.04Å; A99-E103 VanDerWaalsContact O-N 3.11Å; A99-V154 HydrophobicContact CB-CB 4.28Å; A99-V154 HydrophobicContact CB-CG1 3.84Å; A99-V154 HydrophobicContact CB-CG2 4.13Å; A99-I157 HydrophobicContact CB-CB 4.39Å; A99-I157 HydrophobicContact CB-CG2 4.05Å; A99-H158 WeakPolarHBondContact CB-NE2 3.48Å
100	M	98.8	Very high	98.5	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64	-45.3	-180	-172.5	176.9	61.1	0	0	111.6	T96 Y97 T98 E103 I104 I157 H171 R175 Y176	T96-M100 WeakPolarHBondContact O-CB 3.37Å; T96-M100 PolarHBondContact O-N 3.41Å; Y97-M100 HydrophobicContact CD1-CE 3.45Å; Y97-M100 VanDerWaalsContact CD1-CE 3.45Å; Y97-M100 HydrophobicContact CE1-CE 3.64Å; Y97-M100 HydrophobicContact CG-CE 4.12Å; Y97-M100 PolarHBondContact O-N 2.94Å; T98-M100 VanDerWaalsContact C-N 3.35Å; T98-M100 PolarHBondContact O-N 2.91Å; M100-E103 PolarHBondContact O-N 3.3Å; M100-I104 HydrophobicContact CG-CD1 3.97Å; M100-I104 WeakPolarHBondContact O-CB 3.22Å; M100-I104 WeakPolarHBondContact O-CG1 3.27Å; M100-I104 PolarHBondContact O-N 2.94Å; M100-I157 VanDerWaalsContact CA-CG2 3.5Å; M100-I157 HydrophobicContact CB-CD1 4.42Å; M100-I157 HydrophobicContact CB-CG2 4.12Å; M100-H171 HydrophobicContact SD-CB 4.42Å; M100-R175 HydrophobicContact CE-CB 4.09Å; M100-R175 HydrophobicContact CE-CG 4.43Å; M100-R175 HydrophobicContact SD-CB 4.18Å; M100-R175 HydrophobicContact SD-CG 4.22Å; M100-Y176 HydrophobicContact CE-CD1 4.45Å; M100-Y176 HydrophobicContact CE-CE1 3.78Å; M100-Y176 HydrophobicContact CE-CE2 3.91Å; M100-Y176 VanDerWaalsContact CE-CZ 3.48Å
101	E	98.9	Very high	98.3	Very high	13 Å²	13	40.6 Å²	40.6	6%	0.061	20%	0.199	C	C	.	.	H	α-helix	trans	-73.6	-32	-177.3	-69.7	168	-157.6	0	0	112.1	Y97 T98 I104 E105 H123 R124 H125 Y176	Y97-E101 WeakPolarHBondContact CD1-OE1 3.45Å; Y97-E101 WeakPolarHBondContact O-CB 3.38Å; Y97-E101 VanDerWaalsContact O-CG 3.24Å; Y97-E101 WeakPolarHBondContact O-CG 3.27Å; Y97-E101 PolarHBondContact O-N 2.49Å; T98-E101 PolarHBondContact O-N 3.36Å; E101-I104 PolarHBondContact O-N 3.47Å; E101-E105 WeakPolarHBondContact O-CG 3.35Å; E101-E105 PolarHBondContact O-N 3.26Å; E101-H123 HydrophobicContact CG-CB 4.35Å; E101-H123 WeakPolarHBondContact OE1-CA 3.33Å; E101-H123 WeakPolarHBondContact OE2-CB 3.41Å; E101-H123 IonicContact OE2-CG 3.89Å; E101-H123 IonicContact OE2-ND1 2.91Å; E101-R124 PolarHBondContact OE1-N 2.81Å; E101-R124 PolarHBondContact OE2-N 2.85Å; E101-H125 PolarHBondContact OE1-N 2.85Å; E101-H125 WeakPolarHBondContact OE2-CB 3.24Å; E101-H125 PolarHBondContact OE2-N 3.22Å; E101-Y176 WeakPolarHBondContact CG-OH 3.32Å; E101-Y176 PolarHBondContact OE1-OH 3.18Å
102	E	98.8	Very high	98	Very high	99 Å²	99	43.4 Å²	43.4	46%	0.463	21%	0.212	S	C	.	.	H	α-helix	trans	-61.2	-45	168.9	-77	175.4	177.2	0	0	111.9	T98 E105 R106 H158	T98-E102 HydrophobicContact CG2-CG 4.5Å; T98-E102 WeakPolarHBondContact O-CB 3.26Å; T98-E102 VanDerWaalsContact O-CG 3.25Å; T98-E102 WeakPolarHBondContact O-CG 3.25Å; T98-E102 PolarHBondContact O-N 3.45Å; E102-E105 PolarHBondContact O-N 2.93Å; E102-R106 PolarHBondContact O-N 3.16Å; E102-H158 IonicContact OE2-CE1 2.69Å; E102-H158 PolarHBondContact OE2-CE1 2.86Å
103	E	98.8	Very high	97.9	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-73.7	-28.9	178.1	-65.7	-56.1	146.7	0	0	112.5	A99 M100 R106 N107 I157 H158 G161 Q162 L168	A99-E103 WeakPolarHBondContact O-CG 3.45Å; A99-E103 PolarHBondContact O-N 3.04Å; A99-E103 VanDerWaalsContact O-N 3.11Å; M100-E103 PolarHBondContact O-N 3.3Å; E103-R106 PolarHBondContact O-N 2.99Å; E103-R106 IonicContact OE1-CZ 2.61Å; E103-R106 IonicContact OE1-NE 3.06Å; E103-R106 PolarHBondContact OE1-NE 3.36Å; E103-R106 IonicContact OE1-NH2 3.62Å; E103-R106 PolarHBondContact OE1-NH2 3.22Å; E103-R106 WeakPolarHBondContact OE2-CD 3.32Å; E103-R106 IonicContact OE2-CZ 2.96Å; E103-R106 IonicContact OE2-NE 2.73Å; E103-R106 PolarHBondContact OE2-NE 3.17Å; E103-R106 IonicContact OE2-NH2 3.68Å; E103-N107 WeakPolarHBondContact O-CB 3.44Å; E103-N107 PolarHBondContact O-N 2.78Å; E103-N107 VanDerWaalsContact O-N 3.12Å; E103-N107 PolarHBondContact O-ND2 2.98Å; E103-I157 HydrophobicContact CG-CG2 4.32Å; E103-H158 IonicContact OE1-CE1 2.73Å; E103-H158 IonicContact OE1-CG 3.75Å; E103-H158 IonicContact OE1-ND1 3.42Å; E103-H158 PolarHBondContact OE1-ND1 2.81Å; E103-G161 VanDerWaalsContact OE2-C 3.26Å; E103-G161 WeakPolarHBondContact OE2-CA 3.4Å; E103-Q162 PolarHBondContact OE1-NE2 3.16Å; E103-Q162 VanDerWaalsContact OE1-NE2 3.15Å; E103-L168 HydrophobicContact CB-CD1 4.15Å; E103-L168 HydrophobicContact CB-CD2 4.18Å; E103-L168 WeakPolarHBondContact O-CD2 3.27Å
104	I	98.7	Very high	97.8	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.015	22%	0.217	C	C	.	.	H	α-helix	trans	-63.6	-47.9	169.1	-73.9	171	0	0	0	110.2	M100 E101 R106 N107 K108 F113 Y117 L168 Y176	M100-I104 HydrophobicContact CG-CD1 3.97Å; M100-I104 WeakPolarHBondContact O-CB 3.22Å; M100-I104 WeakPolarHBondContact O-CG1 3.27Å; M100-I104 PolarHBondContact O-N 2.94Å; E101-I104 PolarHBondContact O-N 3.47Å; I104-R106 VanDerWaalsContact C-N 3.3Å; I104-R106 PolarHBondContact O-N 2.94Å; I104-N107 CarbonylContact O-C 3.59Å; I104-N107 PolarHBondContact O-N 3.04Å; I104-N107 VanDerWaalsContact O-N 3.11Å; I104-K108 WeakPolarHBondContact O-CA 3.4Å; I104-K108 PolarHBondContact O-N 3.21Å; I104-F113 HydrophobicContact CB-CE1 4.24Å; I104-F113 HydrophobicContact CB-CZ 4.3Å; I104-F113 HydrophobicContact CD1-CZ 4.04Å; I104-F113 HydrophobicContact CG1-CE1 3.98Å; I104-F113 HydrophobicContact CG1-CE2 4.26Å; I104-F113 HydrophobicContact CG1-CZ 3.54Å; I104-F113 HydrophobicContact CG2-CE1 3.71Å; I104-F113 HydrophobicContact CG2-CZ 4.1Å; I104-Y117 HydrophobicContact CG2-CD2 3.71Å; I104-Y117 HydrophobicContact CG2-CE2 4.04Å; I104-L168 HydrophobicContact CG1-CD2 3.94Å; I104-L168 HydrophobicContact CG1-CG 4.4Å; I104-Y176 HydrophobicContact CD1-CE2 3.87Å
105	E	98.6	Very high	97.7	Very high	68 Å²	68	44.2 Å²	44.2	32%	0.318	23%	0.225	S	C	.	.	H	α-helix	trans	-61.3	-39	176.9	-78.7	-59.3	142.9	0	0	112.3	E101 E102 N107 K108 Y117 H123	E101-E105 WeakPolarHBondContact O-CG 3.35Å; E101-E105 PolarHBondContact O-N 3.26Å; E102-E105 PolarHBondContact O-N 2.93Å; E105-N107 VanDerWaalsContact C-N 3.26Å; E105-N107 PolarHBondContact O-N 3.47Å; E105-K108 WeakPolarHBondContact O-CG 3.49Å; E105-K108 IonicContact OE2-NZ 2.92Å; E105-K108 PolarHBondContact OE2-NZ 2.89Å; E105-Y117 WeakPolarHBondContact OE1-CE2 3.35Å; E105-Y117 PolarHBondContact OE1-OH 2.99Å; E105-Y117 PolarHBondContact OE2-OH 3.4Å; E105-H123 IonicContact OE1-CE1 3.87Å
106	R	98.6	Very high	97.7	Very high	145 Å²	145	42.3 Å²	42.3	55%	0.547	22%	0.216	S	C	.	.	H	α-helix	trans	-59.6	-38.8	174.4	-172.9	-167.2	-53.9	-72.7	-2.7	111.9	E102 E103 I104	E102-R106 PolarHBondContact O-N 3.16Å; E103-R106 PolarHBondContact O-N 2.99Å; E103-R106 IonicContact OE1-CZ 2.61Å; E103-R106 IonicContact OE1-NE 3.06Å; E103-R106 PolarHBondContact OE1-NE 3.36Å; E103-R106 IonicContact OE1-NH2 3.62Å; E103-R106 PolarHBondContact OE1-NH2 3.22Å; E103-R106 WeakPolarHBondContact OE2-CD 3.32Å; E103-R106 IonicContact OE2-CZ 2.96Å; E103-R106 IonicContact OE2-NE 2.73Å; E103-R106 PolarHBondContact OE2-NE 3.17Å; E103-R106 IonicContact OE2-NH2 3.68Å; I104-R106 VanDerWaalsContact C-N 3.3Å; I104-R106 PolarHBondContact O-N 2.94Å
107	N	98.3	Very high	97.7	Very high	13 Å²	13	45.5 Å²	45.5	7%	0.07	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	12.6	-171.2	-67.2	-71.2	0	0	0	114.1	E103 I104 E105 D109 H110 G161 P165 L168	E103-N107 WeakPolarHBondContact O-CB 3.44Å; E103-N107 PolarHBondContact O-N 2.78Å; E103-N107 VanDerWaalsContact O-N 3.12Å; E103-N107 PolarHBondContact O-ND2 2.98Å; I104-N107 CarbonylContact O-C 3.59Å; I104-N107 PolarHBondContact O-N 3.04Å; I104-N107 VanDerWaalsContact O-N 3.11Å; E105-N107 VanDerWaalsContact C-N 3.26Å; E105-N107 PolarHBondContact O-N 3.47Å; N107-D109 PolarHBondContact O-N 3.49Å; N107-D109 VanDerWaalsContact O-N 3.16Å; N107-H110 HydrophobicContact CB-CB 4.17Å; N107-H110 WeakPolarHBondContact O-CB 3.31Å; N107-H110 PolarHBondContact O-N 3.09Å; N107-G161 PolarHBondContact ND2-O 2.93Å; N107-P165 HydrophobicContact CB-CB 4.42Å; N107-P165 WeakPolarHBondContact OD1-CB 3.47Å; N107-P165 VanDerWaalsContact OD1-CG 3.31Å; N107-P165 WeakPolarHBondContact OD1-CG 3.29Å; N107-L168 HydrophobicContact CB-CD2 4.41Å
108	K	98	Very high	97.6	Very high	69 Å²	69	47 Å²	47	30%	0.3	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-30	-174.1	68.1	-172.2	169.2	-164.4	0	114.9	I104 E105 A114 Y117	I104-K108 WeakPolarHBondContact O-CA 3.4Å; I104-K108 PolarHBondContact O-N 3.21Å; E105-K108 WeakPolarHBondContact O-CG 3.49Å; E105-K108 IonicContact OE2-NZ 2.92Å; E105-K108 PolarHBondContact OE2-NZ 2.89Å; K108-A114 WeakPolarHBondContact O-CA 3.38Å; K108-A114 WeakPolarHBondContact O-CB 3.43Å; K108-Y117 HydrophobicContact CB-CD1 4.27Å; K108-Y117 HydrophobicContact CB-CD2 3.63Å; K108-Y117 HydrophobicContact CB-CE1 4.25Å; K108-Y117 HydrophobicContact CB-CE2 3.61Å; K108-Y117 HydrophobicContact CB-CG 3.96Å; K108-Y117 HydrophobicContact CD-CE1 4.38Å; K108-Y117 HydrophobicContact CD-CE2 4.2Å
109	D	97.6	Very high	97.6	Very high	136 Å²	136	47.8 Å²	47.8	73%	0.727	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-2.2	177.7	-59.9	-49.3	0	0	0	112.3	N107	N107-D109 PolarHBondContact O-N 3.49Å; N107-D109 VanDerWaalsContact O-N 3.16Å
110	H	96.3	Very high	97.6	Very high	61 Å²	61	51.3 Å²	51.3	28%	0.282	27%	0.269	S	S	.	.			trans	-70.4	125.8	179.7	-168.2	-85.1	0	0	0	109.7	N107 Q112 F113 A114	N107-H110 HydrophobicContact CB-CB 4.17Å; N107-H110 WeakPolarHBondContact O-CB 3.31Å; N107-H110 PolarHBondContact O-N 3.09Å; H110-Q112 PolarHBondContact CE1-OE1 3.03Å; H110-Q112 PolarHBondContact ND1-N 3.44Å; H110-Q112 PolarHBondContact O-N 3.4Å; H110-F113 PolarHBondContact O-N 3.36Å; H110-A114 WeakPolarHBondContact O-CB 3.5Å; H110-A114 PolarHBondContact O-N 3.4Å
111	P	94.3	Very high	97.6	Very high	104 Å²	104	53.8 Å²	53.8	68%	0.675	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-31.3	-172.8	-28	34.6	0	0	0	114.5	F113	P111-F113 VanDerWaalsContact C-N 3.3Å; P111-F113 PolarHBondContact O-N 2.89Å
112	Q	92.3	Very high	97.5	Very high	66 Å²	66	53.3 Å²	53.3	31%	0.308	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-0.6	-179.4	-59.4	-179.5	-48.8	0	0	114.3	H110 V166 L228 L230	H110-Q112 PolarHBondContact CE1-OE1 3.03Å; H110-Q112 PolarHBondContact ND1-N 3.44Å; H110-Q112 PolarHBondContact O-N 3.4Å; Q112-V166 HydrophobicContact CB-CB 4.08Å; Q112-V166 HydrophobicContact CB-CG2 4.11Å; Q112-L228 WeakPolarHBondContact O-CD2 3.16Å; Q112-L230 HydrophobicContact CG-CD2 4.38Å
113	F	96.3	Very high	97.5	Very high	1 Å²	1	50.5 Å²	50.5	0%	0.004	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.9	-34.7	176.9	-171.9	-86.5	0	0	0	113.2	I104 H110 P111 P115 L116 L168 V169 A172	I104-F113 HydrophobicContact CB-CE1 4.24Å; I104-F113 HydrophobicContact CB-CZ 4.3Å; I104-F113 HydrophobicContact CD1-CZ 4.04Å; I104-F113 HydrophobicContact CG1-CE1 3.98Å; I104-F113 HydrophobicContact CG1-CE2 4.26Å; I104-F113 HydrophobicContact CG1-CZ 3.54Å; I104-F113 HydrophobicContact CG2-CE1 3.71Å; I104-F113 HydrophobicContact CG2-CZ 4.1Å; H110-F113 PolarHBondContact O-N 3.36Å; P111-F113 VanDerWaalsContact C-N 3.3Å; P111-F113 PolarHBondContact O-N 2.89Å; F113-P115 VanDerWaalsContact C-N 3.28Å; F113-P115 WeakPolarHBondContact O-CD 3.24Å; F113-L116 HydrophobicContact CZ-CB 4.28Å; F113-L116 WeakPolarHBondContact O-CB 3.39Å; F113-L116 PolarHBondContact O-N 3.09Å; F113-L168 HydrophobicContact CD2-CB 4.13Å; F113-L168 HydrophobicContact CD2-CD2 4.03Å; F113-L168 HydrophobicContact CD2-CG 4.14Å; F113-L168 HydrophobicContact CE2-CB 4.3Å; F113-L168 HydrophobicContact CE2-CD2 3.97Å; F113-L168 HydrophobicContact CE2-CG 3.9Å; F113-L168 HydrophobicContact CZ-CD2 4.46Å; F113-V169 HydrophobicContact CD2-CG2 3.94Å; F113-V169 HydrophobicContact CE2-CG2 4.48Å; F113-A172 HydrophobicContact CE2-CB 4.28Å; F113-A172 HydrophobicContact CZ-CB 4.49Å
114	A	96.9	Very high	97.5	Very high	36 Å²	36	51.1 Å²	51.1	30%	0.298	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-45	-38.9	-173.9	0	0	0	0	0	115.6	K108 H110 L116 Y117	K108-A114 WeakPolarHBondContact O-CA 3.38Å; K108-A114 WeakPolarHBondContact O-CB 3.43Å; H110-A114 WeakPolarHBondContact O-CB 3.5Å; H110-A114 PolarHBondContact O-N 3.4Å; A114-L116 PolarHBondContact O-N 3.01Å; A114-Y117 WeakPolarHBondContact O-CB 3.42Å; A114-Y117 PolarHBondContact O-N 2.84Å; A114-Y117 VanDerWaalsContact O-N 3.1Å
115	P	96.9	Very high	97.5	Very high	41 Å²	41	53.1 Å²	53.1	27%	0.266	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-60.5	-17.2	175.9	-27.1	38.6	0	0	0	115.4	F113 F118 R224 L228	F113-P115 VanDerWaalsContact C-N 3.28Å; F113-P115 WeakPolarHBondContact O-CD 3.24Å; P115-F118 WeakPolarHBondContact O-CE2 3.31Å; P115-R224 HydrophobicContact CB-CB 4.4Å; P115-R224 WeakPolarHBondContact O-CB 3.4Å; P115-L228 HydrophobicContact CB-CD2 4.33Å; P115-L228 HydrophobicContact CG-CD2 3.81Å
116	L	97.8	Very high	97.5	Very high	5 Å²	5	55.7 Å²	55.7	3%	0.026	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-103.5	6	-179.9	-54.4	-177.4	0	0	0	113.5	F113 A114 F118 V169 Y221 R224 M225 L228	F113-L116 HydrophobicContact CZ-CB 4.28Å; F113-L116 WeakPolarHBondContact O-CB 3.39Å; F113-L116 PolarHBondContact O-N 3.09Å; A114-L116 PolarHBondContact O-N 3.01Å; L116-F118 WeakPolarHBondContact O-CD2 3.43Å; L116-F118 PolarHBondContact O-N 3.47Å; L116-F118 VanDerWaalsContact O-N 3.09Å; L116-V169 HydrophobicContact CD1-CB 4.11Å; L116-V169 HydrophobicContact CD1-CG1 3.52Å; L116-V169 HydrophobicContact CD1-CG2 3.77Å; L116-Y221 HydrophobicContact CB-CE2 4.28Å; L116-Y221 HydrophobicContact CD1-CE1 4.42Å; L116-Y221 HydrophobicContact CD2-CD1 4.44Å; L116-Y221 HydrophobicContact CD2-CE1 4.14Å; L116-Y221 HydrophobicContact CD2-CE2 4.24Å; L116-R224 HydrophobicContact CD2-CB 3.65Å; L116-M225 HydrophobicContact CD1-CG 3.84Å; L116-M225 HydrophobicContact CD2-CB 4.42Å; L116-M225 HydrophobicContact CD2-CG 3.6Å; L116-M225 HydrophobicContact CG-CG 4.38Å; L116-L228 HydrophobicContact CD1-CD1 4.34Å
117	Y	98.3	Very high	97.5	Very high	72 Å²	72	49.1 Å²	49.1	28%	0.282	27%	0.266	S	S	.	.			trans	-78	95	-179.9	-178	-112.1	0	0	0	111.3	I104 E105 K108 A114 P119	I104-Y117 HydrophobicContact CG2-CD2 3.71Å; I104-Y117 HydrophobicContact CG2-CE2 4.04Å; E105-Y117 WeakPolarHBondContact OE1-CE2 3.35Å; E105-Y117 PolarHBondContact OE1-OH 2.99Å; E105-Y117 PolarHBondContact OE2-OH 3.4Å; K108-Y117 HydrophobicContact CB-CD1 4.27Å; K108-Y117 HydrophobicContact CB-CD2 3.63Å; K108-Y117 HydrophobicContact CB-CE1 4.25Å; K108-Y117 HydrophobicContact CB-CE2 3.61Å; K108-Y117 HydrophobicContact CB-CG 3.96Å; K108-Y117 HydrophobicContact CD-CE1 4.38Å; K108-Y117 HydrophobicContact CD-CE2 4.2Å; A114-Y117 WeakPolarHBondContact O-CB 3.42Å; A114-Y117 PolarHBondContact O-N 2.84Å; A114-Y117 VanDerWaalsContact O-N 3.1Å; Y117-P119 VanDerWaalsContact C-CD 3.46Å; Y117-P119 HydrophobicContact CD1-CG 4.36Å; Y117-P119 HydrophobicContact CE1-CG 3.78Å; Y117-P119 HydrophobicContact CE2-CB 4.24Å; Y117-P119 HydrophobicContact CE2-CG 4.01Å
118	F	98.5	Very high	97.5	Very high	31 Å²	31	48.5 Å²	48.5	14%	0.136	26%	0.263	C	S	.	.			trans	-124.7	64.4	-179.8	-66.5	-78.5	0	0	0	111.8	P115 L116 A120 E121 L122 F217 L220 Y221 R224	P115-F118 WeakPolarHBondContact O-CE2 3.31Å; L116-F118 WeakPolarHBondContact O-CD2 3.43Å; L116-F118 PolarHBondContact O-N 3.47Å; L116-F118 VanDerWaalsContact O-N 3.09Å; F118-A120 PolarHBondContact O-N 3.17Å; F118-E121 WeakPolarHBondContact CA-OE2 3.43Å; F118-E121 HydrophobicContact CB-CB 4.29Å; F118-E121 PolarHBondContact O-N 2.81Å; F118-L122 HydrophobicContact CB-CD1 3.98Å; F118-L122 HydrophobicContact CB-CG 4.1Å; F118-L122 WeakPolarHBondContact O-CB 3.46Å; F118-L122 PolarHBondContact O-N 3.16Å; F118-F217 HydrophobicContact CB-CZ 4Å; F118-F217 HydrophobicContact CD1-CE2 4.24Å; F118-F217 HydrophobicContact CD1-CZ 4.01Å; F118-F217 HydrophobicContact CD2-CZ 4.29Å; F118-F217 AromaticContact CG-CZ 3.85Å; F118-F217 HydrophobicContact CG-CZ 3.85Å; F118-L220 HydrophobicContact CE1-CD2 4.36Å; F118-L220 HydrophobicContact CZ-CD2 4.42Å; F118-Y221 HydrophobicContact CD2-CD2 4.11Å; F118-Y221 HydrophobicContact CD2-CE2 4.28Å; F118-Y221 HydrophobicContact CE2-CD2 4.3Å; F118-R224 HydrophobicContact CE2-CG 4.25Å; F118-R224 HydrophobicContact CZ-CG 4.06Å
119	P	98.3	Very high	97.6	Very high	39 Å²	39	45.9 Å²	45.9	25%	0.253	25%	0.254	S	S	.	.	H	α-helix	trans	-65.5	-41.5	-171.7	27.4	-37.3	0	0	0	113.1	Y117 E121 H123	Y117-P119 VanDerWaalsContact C-CD 3.46Å; Y117-P119 HydrophobicContact CD1-CG 4.36Å; Y117-P119 HydrophobicContact CE1-CG 3.78Å; Y117-P119 HydrophobicContact CE2-CB 4.24Å; Y117-P119 HydrophobicContact CE2-CG 4.01Å; P119-E121 VanDerWaalsContact C-N 3.27Å; P119-E121 PolarHBondContact O-N 3.5Å; P119-H123 VanDerWaalsContact O-CB 3.27Å; P119-H123 WeakPolarHBondContact O-CB 3.34Å; P119-H123 PolarHBondContact O-N 3.15Å; P119-H123 VanDerWaalsContact O-N 3.12Å
120	A	98.1	Very high	97.6	Very high	75 Å²	75	44 Å²	44	62%	0.62	24%	0.237	S	C	*	.	H	α-helix	trans	-65.8	-33.6	-178.6	0	0	0	0	0	112	F118 A210	F118-A120 PolarHBondContact O-N 3.17Å; A120-A210 WeakPolarHBondContact O-CB 3.49Å
121	E	98.5	Very high	97.7	Very high	53 Å²	53	41.3 Å²	41.3	25%	0.248	22%	0.224	C	C	.	.	H	α-helix	trans	-86.7	-41.7	-176.9	-58.6	89	162.2	0	0	112.5	F118 P119 R124 F208 A210 I211 F217	F118-E121 WeakPolarHBondContact CA-OE2 3.43Å; F118-E121 HydrophobicContact CB-CB 4.29Å; F118-E121 PolarHBondContact O-N 2.81Å; P119-E121 VanDerWaalsContact C-N 3.27Å; P119-E121 PolarHBondContact O-N 3.5Å; E121-R124 PolarHBondContact O-NH2 2.71Å; E121-F208 WeakPolarHBondContact O-CD1 3.29Å; E121-A210 HydrophobicContact CG-CB 4.13Å; E121-I211 HydrophobicContact CB-CD1 4.02Å; E121-I211 HydrophobicContact CB-CG1 3.8Å; E121-I211 HydrophobicContact CG-CG1 4.31Å; E121-F217 HydrophobicContact CB-CE2 3.69Å; E121-F217 HydrophobicContact CB-CZ 3.66Å; E121-F217 HydrophobicContact CG-CE2 3.72Å; E121-F217 HydrophobicContact CG-CZ 4.17Å
122	L	98.5	Very high	97.9	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.01	19%	0.192	C	C	.	.	H	α-helix	trans	-109.5	-29.1	-166.4	-68	-179.7	0	0	0	115.4	F118 R124 Y176 L180 F208 I211 F217 Y221	F118-L122 HydrophobicContact CB-CD1 3.98Å; F118-L122 HydrophobicContact CB-CG 4.1Å; F118-L122 WeakPolarHBondContact O-CB 3.46Å; F118-L122 PolarHBondContact O-N 3.16Å; L122-R124 WeakPolarHBondContact O-CG 3.21Å; L122-R124 PolarHBondContact O-N 2.91Å; L122-R124 PolarHBondContact O-NE 3.39Å; L122-Y176 HydrophobicContact CB-CD1 3.96Å; L122-Y176 HydrophobicContact CB-CD2 4.21Å; L122-Y176 HydrophobicContact CB-CE1 3.91Å; L122-Y176 HydrophobicContact CB-CE2 4.16Å; L122-Y176 HydrophobicContact CB-CG 4.1Å; L122-Y176 HydrophobicContact CD1-CD2 3.77Å; L122-Y176 HydrophobicContact CD1-CE2 4.28Å; L122-Y176 HydrophobicContact CD1-CG 3.96Å; L122-Y176 HydrophobicContact CD2-CD1 4.34Å; L122-Y176 HydrophobicContact CD2-CG 4.18Å; L122-Y176 HydrophobicContact CG-CD2 4.49Å; L122-Y176 HydrophobicContact CG-CG 4.33Å; L122-Y176 WeakPolarHBondContact O-CE1 3.38Å; L122-L180 HydrophobicContact CD2-CD1 3.98Å; L122-F208 HydrophobicContact CD2-CE1 4.29Å; L122-I211 HydrophobicContact CD2-CD1 4.06Å; L122-F217 HydrophobicContact CD1-CE1 3.94Å; L122-F217 HydrophobicContact CD1-CZ 4.29Å; L122-F217 HydrophobicContact CD2-CD1 4.37Å; L122-F217 HydrophobicContact CD2-CE1 3.64Å; L122-F217 HydrophobicContact CD2-CZ 4.29Å; L122-F217 HydrophobicContact CG-CE1 3.8Å; L122-F217 HydrophobicContact CG-CZ 4.04Å; L122-Y221 HydrophobicContact CD1-CD2 3.88Å; L122-Y221 HydrophobicContact CD1-CE2 3.55Å
123	H	98.7	Very high	98.2	Very high	41 Å²	41	37.4 Å²	37.4	19%	0.19	20%	0.197	C	C	.	.			trans	-61.4	135	-173.8	-74.3	-166.1	0	0	0	111.4	E101 E105 P119 Y176	E101-H123 HydrophobicContact CG-CB 4.35Å; E101-H123 WeakPolarHBondContact OE1-CA 3.33Å; E101-H123 WeakPolarHBondContact OE2-CB 3.41Å; E101-H123 IonicContact OE2-CG 3.89Å; E101-H123 IonicContact OE2-ND1 2.91Å; E105-H123 IonicContact OE1-CE1 3.87Å; P119-H123 VanDerWaalsContact O-CB 3.27Å; P119-H123 WeakPolarHBondContact O-CB 3.34Å; P119-H123 PolarHBondContact O-N 3.15Å; P119-H123 VanDerWaalsContact O-N 3.12Å; H123-Y176 PolarHBondContact CD2-OH 3.27Å
124	R	98.7	Very high	98.3	Very high	13 Å²	13	42 Å²	42	5%	0.049	22%	0.215	C	C	.	.			trans	-114.8	-14.7	-173.7	-59.1	-60.1	85.3	-176.1	-1.9	112.7	Y97 E101 E121 L122 E126 A127 L128 Y176 F205 Q207 F208	Y97-R124 HydrophobicContact CD1-CB 3.51Å; Y97-R124 HydrophobicContact CD1-CG 3.56Å; Y97-R124 HydrophobicContact CE1-CB 3.9Å; Y97-R124 HydrophobicContact CE1-CG 3.41Å; Y97-R124 VanDerWaalsContact CE1-CG 3.41Å; Y97-R124 HydrophobicContact CG-CB 4.02Å; Y97-R124 HydrophobicContact CG-CG 4.45Å; E101-R124 PolarHBondContact OE1-N 2.81Å; E101-R124 PolarHBondContact OE2-N 2.85Å; E121-R124 PolarHBondContact O-NH2 2.71Å; L122-R124 WeakPolarHBondContact O-CG 3.21Å; L122-R124 PolarHBondContact O-N 2.91Å; L122-R124 PolarHBondContact O-NE 3.39Å; R124-E126 VanDerWaalsContact C-N 3.32Å; R124-E126 PolarHBondContact O-N 3.11Å; R124-A127 PolarHBondContact O-N 3.48Å; R124-L128 HydrophobicContact CB-CD1 3.85Å; R124-L128 HydrophobicContact CB-CG 4.45Å; R124-L128 WeakPolarHBondContact O-CB 3.4Å; R124-L128 PolarHBondContact O-N 2.98Å; R124-Y176 HydrophobicContact CG-CE1 4.35Å; R124-F205 HydrophobicContact CB-CD2 3.91Å; R124-F205 HydrophobicContact CB-CE2 4.04Å; R124-F205 WeakPolarHBondContact CD-O 3.36Å; R124-F205 HydrophobicContact CG-CD2 3.93Å; R124-F205 HydrophobicContact CG-CE2 3.75Å; R124-F205 PolarHBondContact NH1-O 3.39Å; R124-Q207 PolarHBondContact NH1-O 2.92Å; R124-F208 VanDerWaalsContact CZ-CD1 3.4Å
125	H	98.4	Very high	98.4	Very high	44 Å²	44	41.2 Å²	41.2	20%	0.204	21%	0.205	C	C	.	.	H	α-helix	trans	-47.9	-52.3	-177	173.2	80.4	0	0	0	112.6	Y94 T98 E101 A127 L128 A129	Y94-H125 AromaticContact CE2-CE1 3.52Å; Y94-H125 AromaticContact CE2-ND1 3.65Å; Y94-H125 AromaticContact CZ-CE1 3.77Å; Y94-H125 PolarHBondContact OH-CE1 2.89Å; T98-H125 PolarHBondContact OG1-CE1 3.12Å; T98-H125 PolarHBondContact OG1-ND1 2.82Å; E101-H125 PolarHBondContact OE1-N 2.85Å; E101-H125 WeakPolarHBondContact OE2-CB 3.24Å; E101-H125 PolarHBondContact OE2-N 3.22Å; H125-A127 PolarHBondContact O-N 3.19Å; H125-L128 PolarHBondContact O-N 2.83Å; H125-A129 WeakPolarHBondContact O-CB 3.48Å; H125-A129 PolarHBondContact O-N 3.39Å
126	E	98.4	Very high	98.4	Very high	122 Å²	122	40.9 Å²	40.9	57%	0.57	20%	0.198	S	C	*	.	H	α-helix	trans	-64.8	-38.9	-179.1	-69.4	-62.2	149.3	0	0	112.9	R124 A129 R130	R124-E126 VanDerWaalsContact C-N 3.32Å; R124-E126 PolarHBondContact O-N 3.11Å; E126-A129 PolarHBondContact O-N 2.9Å; E126-R130 WeakPolarHBondContact O-CG 3.35Å; E126-R130 PolarHBondContact O-N 3.4Å; E126-R130 VanDerWaalsContact O-N 3.16Å; E126-R130 PolarHBondContact O-NH1 3.36Å
127	A	98.4	Very high	98.4	Very high	7 Å²	7	41.6 Å²	41.6	6%	0.058	21%	0.207	C	C	.	.	H	α-helix	trans	-67.6	-42.2	177.4	0	0	0	0	0	111.4	R124 H125 R130 D131 E204	R124-A127 PolarHBondContact O-N 3.48Å; H125-A127 PolarHBondContact O-N 3.19Å; A127-R130 PolarHBondContact O-N 3.35Å; A127-D131 PolarHBondContact O-N 3.06Å; A127-E204 HydrophobicContact CB-CB 4.06Å
128	L	98.7	Very high	98.4	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-65.1	-37.9	175.2	-76.1	159.5	0	0	0	111.8	L93 Y94 Y97 R124 H125 R130 D131 L132 F205	L93-L128 HydrophobicContact CB-CD1 4.11Å; L93-L128 HydrophobicContact CB-CD2 3.71Å; L93-L128 HydrophobicContact CD1-CD2 4.42Å; Y94-L128 HydrophobicContact CD2-CB 4.05Å; Y97-L128 HydrophobicContact CD2-CD1 3.98Å; Y97-L128 HydrophobicContact CG-CD1 3.95Å; R124-L128 HydrophobicContact CB-CD1 3.85Å; R124-L128 HydrophobicContact CB-CG 4.45Å; R124-L128 WeakPolarHBondContact O-CB 3.4Å; R124-L128 PolarHBondContact O-N 2.98Å; H125-L128 PolarHBondContact O-N 2.83Å; L128-R130 VanDerWaalsContact C-N 3.34Å; L128-R130 PolarHBondContact O-N 3.11Å; L128-D131 PolarHBondContact O-N 3.36Å; L128-L132 WeakPolarHBondContact O-CB 3.48Å; L128-L132 VanDerWaalsContact O-CG 3.28Å; L128-L132 WeakPolarHBondContact O-CG 3.39Å; L128-L132 PolarHBondContact O-N 3.41Å; L128-F205 HydrophobicContact CD1-CD2 3.75Å; L128-F205 HydrophobicContact CD1-CE2 4.1Å; L128-F205 HydrophobicContact CD2-CB 3.86Å; L128-F205 HydrophobicContact CD2-CD2 3.63Å; L128-F205 HydrophobicContact CD2-CE2 4.41Å; L128-F205 HydrophobicContact CD2-CG 3.86Å; L128-F205 HydrophobicContact CG-CB 4.18Å; L128-F205 HydrophobicContact CG-CD2 3.62Å; L128-F205 HydrophobicContact CG-CE2 4.44Å; L128-F205 HydrophobicContact CG-CG 4.23Å
129	A	98.8	Very high	98.3	Very high	14 Å²	14	45.8 Å²	45.8	12%	0.116	24%	0.242	C	C	.	.	H	α-helix	trans	-60.5	-43.1	174.5	0	0	0	0	0	111.9	Y94 H125 E126 L132 E133 W140	Y94-A129 HydrophobicContact CE2-CB 4.21Å; H125-A129 WeakPolarHBondContact O-CB 3.48Å; H125-A129 PolarHBondContact O-N 3.39Å; E126-A129 PolarHBondContact O-N 2.9Å; A129-L132 PolarHBondContact O-N 2.87Å; A129-E133 PolarHBondContact O-N 3.29Å; A129-W140 HydrophobicContact CB-CH2 4.12Å; A129-W140 HydrophobicContact CB-CZ2 3.79Å
130	R	98.7	Very high	98.3	Very high	97 Å²	97	44.7 Å²	44.7	37%	0.366	23%	0.233	S	C	.	.	H	α-helix	trans	-67.1	-39.9	175.5	-68.7	-169.8	-59.9	-84.1	4.1	112.6	E126 A127 L128 L132 E133 Y134 E204	E126-R130 WeakPolarHBondContact O-CG 3.35Å; E126-R130 PolarHBondContact O-N 3.4Å; E126-R130 VanDerWaalsContact O-N 3.16Å; E126-R130 PolarHBondContact O-NH1 3.36Å; A127-R130 PolarHBondContact O-N 3.35Å; L128-R130 VanDerWaalsContact C-N 3.34Å; L128-R130 PolarHBondContact O-N 3.11Å; R130-L132 VanDerWaalsContact C-N 3.32Å; R130-L132 PolarHBondContact O-N 2.96Å; R130-E133 PolarHBondContact O-N 2.87Å; R130-Y134 PolarHBondContact O-N 3.35Å; R130-E204 WeakPolarHBondContact CB-OE1 3.18Å; R130-E204 WeakPolarHBondContact CD-OE1 3.41Å; R130-E204 IonicContact CZ-OE2 3.4Å; R130-E204 IonicContact NE-OE1 2.87Å; R130-E204 PolarHBondContact NE-OE1 3.41Å; R130-E204 IonicContact NE-OE2 2.73Å; R130-E204 PolarHBondContact NE-OE2 3.44Å; R130-E204 IonicContact NH2-OE2 3.86Å; R130-E204 PolarHBondContact NH2-OE2 2.68Å
131	D	98.6	Very high	98.3	Very high	4 Å²	4	48.1 Å²	48.1	2%	0.021	23%	0.234	C	C	.	.	H	α-helix	trans	-61.2	-42.7	174	-73.4	-19.3	0	0	0	111.4	A127 L128 Y134 F135 G202 L203 E204 F205	A127-D131 PolarHBondContact O-N 3.06Å; L128-D131 PolarHBondContact O-N 3.36Å; D131-Y134 WeakPolarHBondContact O-CB 3.17Å; D131-Y134 PolarHBondContact O-N 2.95Å; D131-F135 WeakPolarHBondContact O-CD2 3.39Å; D131-F135 PolarHBondContact O-N 2.97Å; D131-G202 VanDerWaalsContact OD1-CA 3.23Å; D131-G202 WeakPolarHBondContact OD1-CA 3.38Å; D131-G202 PolarHBondContact OD1-N 2.99Å; D131-L203 PolarHBondContact OD1-N 2.89Å; D131-E204 VanDerWaalsContact CG-N 3.35Å; D131-E204 WeakPolarHBondContact OD1-CB 3.3Å; D131-E204 PolarHBondContact OD1-N 3.11Å; D131-E204 PolarHBondContact OD2-N 3.39Å; D131-E204 VanDerWaalsContact OD2-N 3.14Å; D131-F205 VanDerWaalsContact OD2-CB 3.32Å; D131-F205 WeakPolarHBondContact OD2-CB 3.48Å; D131-F205 PolarHBondContact OD2-N 3.14Å
132	L	98.8	Very high	98.3	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-68	-39	176.9	-70.5	178.5	0	0	0	112.7	A90 V91 Y94 L128 A129 R130 Y134 F135 Y136 W140 I144	A90-L132 HydrophobicContact CB-CD2 4.03Å; V91-L132 HydrophobicContact CG2-CD2 3.62Å; Y94-L132 VanDerWaalsContact CB-CD1 3.46Å; Y94-L132 HydrophobicContact CD1-CD1 3.95Å; Y94-L132 HydrophobicContact CD2-CD1 3.88Å; Y94-L132 HydrophobicContact CG-CD1 3.46Å; Y94-L132 VanDerWaalsContact CG-CD1 3.46Å; L128-L132 WeakPolarHBondContact O-CB 3.48Å; L128-L132 VanDerWaalsContact O-CG 3.28Å; L128-L132 WeakPolarHBondContact O-CG 3.39Å; L128-L132 PolarHBondContact O-N 3.41Å; A129-L132 PolarHBondContact O-N 2.87Å; R130-L132 VanDerWaalsContact C-N 3.32Å; R130-L132 PolarHBondContact O-N 2.96Å; L132-Y134 VanDerWaalsContact C-N 3.31Å; L132-Y134 PolarHBondContact O-N 3.03Å; L132-F135 PolarHBondContact O-N 3.44Å; L132-Y136 HydrophobicContact CD2-CD2 4.08Å; L132-Y136 HydrophobicContact CD2-CE2 3.87Å; L132-Y136 WeakPolarHBondContact O-CB 3.46Å; L132-Y136 PolarHBondContact O-N 3.41Å; L132-W140 HydrophobicContact CB-CD2 3.87Å; L132-W140 HydrophobicContact CB-CE3 3.68Å; L132-W140 HydrophobicContact CB-CG 4.29Å; L132-W140 HydrophobicContact CB-CZ3 4.13Å; L132-W140 HydrophobicContact CD1-CE3 3.72Å; L132-W140 HydrophobicContact CD1-CH2 4.28Å; L132-W140 HydrophobicContact CD1-CZ3 3.48Å; L132-W140 VanDerWaalsContact CD1-CZ3 3.48Å; L132-W140 HydrophobicContact CG-CE3 4.36Å; L132-W140 HydrophobicContact CG-CZ3 4.49Å; L132-I144 HydrophobicContact CD1-CD1 4.03Å
133	E	98.6	Very high	98.2	Very high	88 Å²	88	55 Å²	55	41%	0.411	28%	0.275	S	S	.	.	H	α-helix	trans	-60.4	-41.9	172.1	-175.9	168.3	-159.5	0	0	111.4	A129 R130 F135 G137 W140	A129-E133 PolarHBondContact O-N 3.29Å; R130-E133 PolarHBondContact O-N 2.87Å; E133-F135 VanDerWaalsContact C-N 3.33Å; E133-F135 PolarHBondContact O-N 3.29Å; E133-G137 CarbonylContact O-C 3.59Å; E133-G137 WeakPolarHBondContact O-CA 3.4Å; E133-G137 PolarHBondContact O-N 3.17Å; E133-W140 HydrophobicContact CB-CG 4.47Å
134	Y	98.4	Very high	98.1	Very high	96 Å²	96	54.2 Å²	54.2	38%	0.376	27%	0.272	S	S	.	.	H	α-helix	trans	-59.3	-43	174.2	176.8	-90.8	0	0	0	112.2	R130 D131 L132 L196 P197 E201	R130-Y134 PolarHBondContact O-N 3.35Å; D131-Y134 WeakPolarHBondContact O-CB 3.17Å; D131-Y134 PolarHBondContact O-N 2.95Å; L132-Y134 VanDerWaalsContact C-N 3.31Å; L132-Y134 PolarHBondContact O-N 3.03Å; Y134-L196 HydrophobicContact CE1-CD2 3.57Å; Y134-P197 HydrophobicContact CE2-CG 4.38Å; Y134-P197 VanDerWaalsContact OH-CD 3.26Å; Y134-P197 WeakPolarHBondContact OH-CD 3.36Å; Y134-E201 HydrophobicContact CD2-CB 3.46Å; Y134-E201 VanDerWaalsContact CD2-CB 3.46Å; Y134-E201 HydrophobicContact CD2-CG 4.47Å; Y134-E201 HydrophobicContact CE2-CB 3.61Å; Y134-E201 HydrophobicContact CG-CB 4.21Å
135	F	97.9	Very high	98	Very high	20 Å²	20	58.2 Å²	58.2	9%	0.088	30%	0.302	C	S	.	.	H	α-helix	trans	-81.5	-32.9	-175.6	-75.6	-58.5	0	0	0	115.3	F86 K87 D131 L132 E133 L196 G202	F86-F135 HydrophobicContact CD1-CE1 4.36Å; F86-F135 AromaticContact CD1-CE2 3.93Å; F86-F135 HydrophobicContact CD1-CE2 3.93Å; F86-F135 AromaticContact CD1-CZ 3.65Å; F86-F135 HydrophobicContact CD1-CZ 3.65Å; F86-F135 AromaticContact CE1-CE2 3.63Å; F86-F135 HydrophobicContact CE1-CE2 3.63Å; F86-F135 AromaticContact CE1-CZ 3.5Å; F86-F135 HydrophobicContact CE1-CZ 3.5Å; K87-F135 HydrophobicContact CD-CB 4.08Å; K87-F135 HydrophobicContact CD-CD1 4.16Å; K87-F135 HydrophobicContact CD-CG 4.31Å; K87-F135 HydrophobicContact CG-CB 3.79Å; K87-F135 HydrophobicContact CG-CD1 3.74Å; K87-F135 HydrophobicContact CG-CD2 4.28Å; K87-F135 HydrophobicContact CG-CE1 4.43Å; K87-F135 HydrophobicContact CG-CG 3.67Å; D131-F135 WeakPolarHBondContact O-CD2 3.39Å; D131-F135 PolarHBondContact O-N 2.97Å; L132-F135 PolarHBondContact O-N 3.44Å; E133-F135 VanDerWaalsContact C-N 3.33Å; E133-F135 PolarHBondContact O-N 3.29Å; F135-L196 HydrophobicContact CE1-CD2 3.98Å; F135-L196 HydrophobicContact CZ-CD1 4.18Å; F135-L196 HydrophobicContact CZ-CD2 4.18Å; F135-G202 WeakPolarHBondContact CE2-O 3.36Å; F135-G202 WeakPolarHBondContact CZ-O 3.38Å
136	Y	97.8	Very high	98	Very high	34 Å²	34	57.8 Å²	57.8	13%	0.133	30%	0.304	C	S	.	.	H	α-helix	trans	-115.2	-11	-171.5	-69.7	-92.1	0	0	0	113.4	K87 V91 L132 W140 K143 I144	K87-Y136 HydrophobicContact CB-CE2 3.85Å; K87-Y136 WeakPolarHBondContact CB-OH 3.23Å; K87-Y136 HydrophobicContact CG-CE2 4.27Å; V91-Y136 HydrophobicContact CG2-CE2 4.01Å; L132-Y136 HydrophobicContact CD2-CD2 4.08Å; L132-Y136 HydrophobicContact CD2-CE2 3.87Å; L132-Y136 WeakPolarHBondContact O-CB 3.46Å; L132-Y136 PolarHBondContact O-N 3.41Å; Y136-W140 HydrophobicContact CG-CB 4.47Å; Y136-K143 HydrophobicContact CD1-CB 3.97Å; Y136-K143 WeakPolarHBondContact O-CD 3.49Å; Y136-K143 PolarHBondContact O-NZ 3.05Å; Y136-I144 HydrophobicContact CD1-CG2 4.39Å; Y136-I144 HydrophobicContact CD2-CG2 4.13Å; Y136-I144 HydrophobicContact CE1-CG2 4.27Å; Y136-I144 HydrophobicContact CE2-CG2 4.02Å; Y136-I144 HydrophobicContact CG-CG2 4.31Å
137	G	98.2	Very high	97.9	Very high	21 Å²	21	53.5 Å²	53.5	22%	0.216	29%	0.287	C	S	.	.			trans	89.9	179.6	-176.8	0	0	0	0	0	113.6	E133 D139 W140	E133-G137 CarbonylContact O-C 3.59Å; E133-G137 WeakPolarHBondContact O-CA 3.4Å; E133-G137 PolarHBondContact O-N 3.17Å; G137-D139 PolarHBondContact O-N 3.34Å; G137-D139 VanDerWaalsContact O-N 3.07Å; G137-W140 VanDerWaalsContact O-CB 3.26Å; G137-W140 WeakPolarHBondContact O-CB 3.42Å; G137-W140 PolarHBondContact O-N 2.9Å
138	P	97.2	Very high	97.9	Very high	113 Å²	113	60.1 Å²	60.1	73%	0.734	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-25.2	-174.8	-26.7	35.3	0	0	0	115.3
139	D	97.2	Very high	97.8	Very high	78 Å²	78	60.4 Å²	60.4	42%	0.417	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	16.1	178.8	62.6	-35.6	0	0	0	113.4	G137 K141 S142 K143	G137-D139 PolarHBondContact O-N 3.34Å; G137-D139 VanDerWaalsContact O-N 3.07Å; D139-K141 PolarHBondContact O-N 3.04Å; D139-S142 PolarHBondContact O-N 2.84Å; D139-S142 PolarHBondContact O-OG 2.71Å; D139-K143 WeakPolarHBondContact OD1-CE 3Å; D139-K143 IonicContact OD1-NZ 2.84Å; D139-K143 PolarHBondContact OD1-NZ 3.46Å; D139-K143 WeakPolarHBondContact OD2-CE 3.46Å; D139-K143 IonicContact OD2-NZ 2.82Å; D139-K143 PolarHBondContact OD2-NZ 3.46Å
140	W	98.3	Very high	97.8	Very high	15 Å²	15	59.8 Å²	59.8	6%	0.057	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-48.6	-37.4	-175	65.3	-90.5	0	0	0	114.6	Y94 A129 L132 E133 Y136 G137 S142 K143 I144	Y94-W140 HydrophobicContact CD1-CZ3 4.2Å; Y94-W140 HydrophobicContact CD2-CH2 4.19Å; Y94-W140 HydrophobicContact CD2-CZ3 4.4Å; Y94-W140 AromaticContact CE1-CH2 3.99Å; Y94-W140 HydrophobicContact CE1-CH2 3.99Å; Y94-W140 AromaticContact CE1-CZ3 3.85Å; Y94-W140 HydrophobicContact CE1-CZ3 3.85Å; Y94-W140 AromaticContact CE2-CH2 3.52Å; Y94-W140 HydrophobicContact CE2-CH2 3.52Å; Y94-W140 HydrophobicContact CE2-CZ3 4.06Å; Y94-W140 HydrophobicContact CG-CZ3 4.47Å; Y94-W140 AromaticContact CZ-CH2 3.42Å; Y94-W140 VanDerWaalsContact CZ-CH2 3.42Å; Y94-W140 AromaticContact CZ-CZ3 3.78Å; A129-W140 HydrophobicContact CB-CH2 4.12Å; A129-W140 HydrophobicContact CB-CZ2 3.79Å; L132-W140 HydrophobicContact CB-CD2 3.87Å; L132-W140 HydrophobicContact CB-CE3 3.68Å; L132-W140 HydrophobicContact CB-CG 4.29Å; L132-W140 HydrophobicContact CB-CZ3 4.13Å; L132-W140 HydrophobicContact CD1-CE3 3.72Å; L132-W140 HydrophobicContact CD1-CH2 4.28Å; L132-W140 HydrophobicContact CD1-CZ3 3.48Å; L132-W140 VanDerWaalsContact CD1-CZ3 3.48Å; L132-W140 HydrophobicContact CG-CE3 4.36Å; L132-W140 HydrophobicContact CG-CZ3 4.49Å; E133-W140 HydrophobicContact CB-CG 4.47Å; Y136-W140 HydrophobicContact CG-CB 4.47Å; G137-W140 VanDerWaalsContact O-CB 3.26Å; G137-W140 WeakPolarHBondContact O-CB 3.42Å; G137-W140 PolarHBondContact O-N 2.9Å; W140-S142 PolarHBondContact O-N 3.31Å; W140-S142 VanDerWaalsContact O-N 3.12Å; W140-K143 WeakPolarHBondContact O-CB 3.47Å; W140-K143 PolarHBondContact O-N 2.5Å; W140-I144 HydrophobicContact CE3-CD1 3.75Å; W140-I144 HydrophobicContact CE3-CG1 4.21Å; W140-I144 HydrophobicContact CZ3-CD1 3.56Å; W140-I144 HydrophobicContact CZ3-CG1 4.43Å; W140-I144 PolarHBondContact O-N 3.26Å
141	K	97.6	Very high	97.8	Very high	148 Å²	148	58.8 Å²	58.8	64%	0.643	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-56.4	-31	179.3	-68.6	-173.5	177.6	-176.7	0	113	D139	D139-K141 PolarHBondContact O-N 3.04Å
142	S	97.5	Very high	97.8	Very high	96 Å²	96	62.7 Å²	62.7	67%	0.671	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-84.5	-12.4	178.4	71.6	0	0	0	0	113.9	D139 W140	D139-S142 PolarHBondContact O-N 2.84Å; D139-S142 PolarHBondContact O-OG 2.71Å; W140-S142 PolarHBondContact O-N 3.31Å; W140-S142 VanDerWaalsContact O-N 3.12Å
143	K	97.2	Very high	97.8	Very high	103 Å²	103	62.7 Å²	62.7	45%	0.448	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-13.7	-174.3	-69.9	170	162.6	163	0	113.6	Y136 D139 W140	Y136-K143 HydrophobicContact CD1-CB 3.97Å; Y136-K143 WeakPolarHBondContact O-CD 3.49Å; Y136-K143 PolarHBondContact O-NZ 3.05Å; D139-K143 WeakPolarHBondContact OD1-CE 3Å; D139-K143 IonicContact OD1-NZ 2.84Å; D139-K143 PolarHBondContact OD1-NZ 3.46Å; D139-K143 WeakPolarHBondContact OD2-CE 3.46Å; D139-K143 IonicContact OD2-NZ 2.82Å; D139-K143 PolarHBondContact OD2-NZ 3.46Å; W140-K143 WeakPolarHBondContact O-CB 3.47Å; W140-K143 PolarHBondContact O-N 2.5Å
144	I	97.6	Very high	97.8	Very high	24 Å²	24	59.1 Å²	59.1	12%	0.123	32%	0.316	C	S	.	.			trans	-102.4	151.8	-179.1	66.8	159.5	0	0	0	110.5	V91 Y94 L132 Y136 W140	V91-I144 HydrophobicContact CG1-CB 4.01Å; V91-I144 HydrophobicContact CG1-CD1 4.4Å; V91-I144 HydrophobicContact CG2-CB 3.87Å; V91-I144 HydrophobicContact CG2-CG2 3.49Å; V91-I144 VanDerWaalsContact CG2-CG2 3.49Å; Y94-I144 HydrophobicContact CD1-CD1 3.92Å; Y94-I144 HydrophobicContact CE1-CD1 4.13Å; L132-I144 HydrophobicContact CD1-CD1 4.03Å; Y136-I144 HydrophobicContact CD1-CG2 4.39Å; Y136-I144 HydrophobicContact CD2-CG2 4.13Å; Y136-I144 HydrophobicContact CE1-CG2 4.27Å; Y136-I144 HydrophobicContact CE2-CG2 4.02Å; Y136-I144 HydrophobicContact CG-CG2 4.31Å; W140-I144 HydrophobicContact CE3-CD1 3.75Å; W140-I144 HydrophobicContact CE3-CG1 4.21Å; W140-I144 HydrophobicContact CZ3-CD1 3.56Å; W140-I144 HydrophobicContact CZ3-CG1 4.43Å; W140-I144 PolarHBondContact O-N 3.26Å
145	S	96.1	Very high	97.9	Very high	97 Å²	97	58.7 Å²	58.7	68%	0.678	32%	0.32	S	S	*	.			trans	-141.1	138.1	174.2	57.5	0	0	0	0	109.4	S147	S145-S147 PolarHBondContact O-N 3.45Å
146	C	97.5	Very high	97.9	Very high	36 Å²	36	59.9 Å²	59.9	24%	0.243	32%	0.324	C	S	.	.			trans	-66.5	127.4	173.4	-166.5	0	0	0	0	109.4	Q151	C146-Q151 PolarHBondContact SG-OE1 2.74Å; C146-Q151 VanDerWaalsContact SG-OE1 3.35Å
147	S	96.8	Very high	98	Very high	31 Å²	31	58.3 Å²	58.3	22%	0.217	32%	0.318	C	S	.	.			trans	-76.9	169.5	177.1	72.7	0	0	0	0	111.5	S145 T150 Q151 E255	S145-S147 PolarHBondContact O-N 3.45Å; S147-T150 PolarHBondContact O-N 2.86Å; S147-T150 WeakPolarHBondContact OG-CB 3.22Å; S147-T150 PolarHBondContact OG-N 3.38Å; S147-T150 PolarHBondContact OG-OG1 2.78Å; S147-Q151 VanDerWaalsContact O-CB 3.31Å; S147-Q151 WeakPolarHBondContact O-CB 3.43Å; S147-Q151 PolarHBondContact O-N 3.37Å; S147-E255 WeakPolarHBondContact CB-OE2 3.42Å; S147-E255 PolarHBondContact OG-OE2 3.05Å
148	Q	98	Very high	98	Very high	146 Å²	146	59.3 Å²	59.3	68%	0.682	32%	0.317	S	S	*	.	H	α-helix	trans	-67.1	-46.4	-176	-176.9	178.8	-9.4	0	0	111.4	T150 Q151 Q152 E255	Q148-T150 VanDerWaalsContact C-N 3.33Å; Q148-T150 PolarHBondContact O-N 3.41Å; Q148-Q151 PolarHBondContact O-N 2.69Å; Q148-Q152 WeakPolarHBondContact O-CG 3.4Å; Q148-Q152 PolarHBondContact O-N 3.15Å; Q148-Q152 VanDerWaalsContact O-N 3.07Å; Q148-E255 PolarHBondContact N-OE1 3.15Å; Q148-E255 VanDerWaalsContact N-OE1 3.12Å
149	A	97.9	Very high	98.1	Very high	8 Å²	8	57.7 Å²	57.7	7%	0.066	30%	0.3	C	S	.	.	H	α-helix	trans	-64.1	-39.7	178.1	0	0	0	0	0	111.6	Q152 Y153 E251 V252 E255	A149-Q152 PolarHBondContact O-N 3.14Å; A149-Y153 PolarHBondContact O-N 3.33Å; A149-E251 HydrophobicContact CB-CB 4.41Å; A149-V252 HydrophobicContact CB-CG2 4.03Å; A149-E255 HydrophobicContact CB-CB 4.01Å; A149-E255 HydrophobicContact CB-CG 4.41Å; A149-E255 WeakPolarHBondContact CB-OE2 2.96Å; A149-E255 PolarHBondContact N-OE1 2.85Å; A149-E255 VanDerWaalsContact N-OE1 3.12Å
150	T	98.6	Very high	98.1	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.006	28%	0.28	C	S	.	.	H	α-helix	trans	-63.8	-42.9	175.6	-55.2	0	0	0	0	111.2	A92 H95 S147 Q148 Q152 Y153 V154	A92-T150 HydrophobicContact CB-CG2 4.2Å; A92-T150 VanDerWaalsContact CB-OG1 3.3Å; A92-T150 WeakPolarHBondContact CB-OG1 3.26Å; A92-T150 WeakPolarHBondContact O-CG2 3.45Å; H95-T150 HydrophobicContact CB-CG2 3.82Å; S147-T150 PolarHBondContact O-N 2.86Å; S147-T150 WeakPolarHBondContact OG-CB 3.22Å; S147-T150 PolarHBondContact OG-N 3.38Å; S147-T150 PolarHBondContact OG-OG1 2.78Å; Q148-T150 VanDerWaalsContact C-N 3.33Å; Q148-T150 PolarHBondContact O-N 3.41Å; T150-Q152 VanDerWaalsContact C-N 3.32Å; T150-Q152 PolarHBondContact O-N 3.4Å; T150-Y153 PolarHBondContact O-N 2.82Å; T150-Y153 VanDerWaalsContact O-N 3.12Å; T150-V154 HydrophobicContact CG2-CG2 4.35Å; T150-V154 WeakPolarHBondContact O-CG2 3.42Å; T150-V154 PolarHBondContact O-N 2.84Å
151	Q	98.8	Very high	98.1	Very high	75 Å²	75	53.4 Å²	53.4	35%	0.35	28%	0.278	S	S	.	.	H	α-helix	trans	-62.5	-40.8	179.8	-171.4	61.4	52.3	0	0	111.5	C146 S147 Q148 Y153 V154 D155	C146-Q151 PolarHBondContact SG-OE1 2.74Å; C146-Q151 VanDerWaalsContact SG-OE1 3.35Å; S147-Q151 VanDerWaalsContact O-CB 3.31Å; S147-Q151 WeakPolarHBondContact O-CB 3.43Å; S147-Q151 PolarHBondContact O-N 3.37Å; Q148-Q151 PolarHBondContact O-N 2.69Å; Q151-Y153 PolarHBondContact O-N 3.39Å; Q151-V154 PolarHBondContact O-N 3.47Å; Q151-D155 PolarHBondContact NE2-OD1 3.22Å; Q151-D155 WeakPolarHBondContact O-CB 3.39Å; Q151-D155 PolarHBondContact O-N 2.83Å
152	Q	98.7	Very high	98.1	Very high	86 Å²	86	51.6 Å²	51.6	40%	0.402	27%	0.272	S	S	.	.	H	α-helix	trans	-59.5	-38.5	175	-71.9	174	-28.3	0	0	112	Q148 A149 T150 R156 F248	Q148-Q152 WeakPolarHBondContact O-CG 3.4Å; Q148-Q152 PolarHBondContact O-N 3.15Å; Q148-Q152 VanDerWaalsContact O-N 3.07Å; A149-Q152 PolarHBondContact O-N 3.14Å; T150-Q152 VanDerWaalsContact C-N 3.32Å; T150-Q152 PolarHBondContact O-N 3.4Å; Q152-R156 PolarHBondContact O-N 2.89Å; Q152-F248 HydrophobicContact CB-CE1 4.23Å
153	Y	98.8	Very high	98	Very high	1 Å²	1	53.7 Å²	53.7	0%	0.004	27%	0.271	C	S	.	.	H	α-helix	trans	-69.9	-44.7	176.9	-167.2	-161.5	0	0	0	112.1	T96 A149 T150 Q151 D155 R156 I157 H171 A245 F248	T96-Y153 HydrophobicContact CG2-CD1 3.56Å; T96-Y153 HydrophobicContact CG2-CE1 3.38Å; A149-Y153 PolarHBondContact O-N 3.33Å; T150-Y153 PolarHBondContact O-N 2.82Å; T150-Y153 VanDerWaalsContact O-N 3.12Å; Q151-Y153 PolarHBondContact O-N 3.39Å; Y153-D155 VanDerWaalsContact C-N 3.34Å; Y153-D155 PolarHBondContact O-N 3.33Å; Y153-R156 PolarHBondContact O-N 2.95Å; Y153-I157 HydrophobicContact CD1-CD1 4.38Å; Y153-I157 HydrophobicContact CD2-CD1 3.98Å; Y153-I157 HydrophobicContact CD2-CG1 4.14Å; Y153-I157 HydrophobicContact CE1-CD1 4.28Å; Y153-I157 HydrophobicContact CE2-CD1 3.91Å; Y153-I157 HydrophobicContact CE2-CG1 4.02Å; Y153-I157 HydrophobicContact CG-CD1 4.21Å; Y153-I157 WeakPolarHBondContact O-CG1 3.38Å; Y153-I157 PolarHBondContact O-N 3.06Å; Y153-H171 AromaticContact CE2-CE1 3.68Å; Y153-H171 AromaticContact CE2-ND1 3.35Å; Y153-H171 VanDerWaalsContact CE2-ND1 3.35Å; Y153-H171 WeakPolarHBondContact CE2-ND1 3.38Å; Y153-H171 AromaticContact CZ-ND1 3.85Å; Y153-H171 PolarHBondContact OH-ND1 3.31Å; Y153-A245 HydrophobicContact CE2-CB 4.36Å; Y153-F248 HydrophobicContact CD1-CB 3.99Å; Y153-F248 HydrophobicContact CD2-CB 3.38Å; Y153-F248 HydrophobicContact CD2-CD1 4.23Å; Y153-F248 AromaticContact CD2-CD2 3.52Å; Y153-F248 HydrophobicContact CD2-CD2 3.52Å; Y153-F248 HydrophobicContact CD2-CE2 4.36Å; Y153-F248 AromaticContact CD2-CG 3.44Å; Y153-F248 HydrophobicContact CD2-CG 3.44Å; Y153-F248 VanDerWaalsContact CD2-CG 3.44Å; Y153-F248 HydrophobicContact CE1-CB 4.41Å; Y153-F248 HydrophobicContact CE2-CB 3.83Å; Y153-F248 AromaticContact CE2-CD2 3.86Å; Y153-F248 HydrophobicContact CE2-CD2 3.86Å; Y153-F248 HydrophobicContact CE2-CG 4.09Å; Y153-F248 HydrophobicContact CG-CB 3.47Å; Y153-F248 VanDerWaalsContact CG-CB 3.47Å; Y153-F248 HydrophobicContact CG-CD1 4.42Å; Y153-F248 HydrophobicContact CG-CD2 4.4Å; Y153-F248 AromaticContact CG-CG 3.88Å; Y153-F248 HydrophobicContact CG-CG 3.88Å
154	V	98.9	Very high	97.9	Very high	12 Å²	12	51.6 Å²	51.6	7%	0.073	27%	0.265	C	S	.	.	H	α-helix	trans	-56.1	-47.7	174.5	163.6	0	0	0	0	111.2	H95 A99 T150 Q151 R156 I157 H158	H95-V154 HydrophobicContact CB-CG2 4.11Å; A99-V154 HydrophobicContact CB-CB 4.28Å; A99-V154 HydrophobicContact CB-CG1 3.84Å; A99-V154 HydrophobicContact CB-CG2 4.13Å; T150-V154 HydrophobicContact CG2-CG2 4.35Å; T150-V154 WeakPolarHBondContact O-CG2 3.42Å; T150-V154 PolarHBondContact O-N 2.84Å; Q151-V154 PolarHBondContact O-N 3.47Å; V154-R156 VanDerWaalsContact C-N 3.29Å; V154-R156 PolarHBondContact O-N 3.02Å; V154-I157 PolarHBondContact O-N 2.98Å; V154-I157 VanDerWaalsContact O-N 3.16Å; V154-H158 PolarHBondContact O-CD2 2.92Å; V154-H158 VanDerWaalsContact O-CD2 3.31Å; V154-H158 PolarHBondContact O-N 3.39Å
155	D	98.8	Very high	97.7	Very high	88 Å²	88	51.5 Å²	51.5	47%	0.471	27%	0.266	S	S	.	.	H	α-helix	trans	-59.5	-42.2	179.1	-68.4	-15	0	0	0	111	Q151 Y153 H158 Q159	Q151-D155 PolarHBondContact NE2-OD1 3.22Å; Q151-D155 WeakPolarHBondContact O-CB 3.39Å; Q151-D155 PolarHBondContact O-N 2.83Å; Y153-D155 VanDerWaalsContact C-N 3.34Å; Y153-D155 PolarHBondContact O-N 3.33Å; D155-H158 PolarHBondContact O-N 3.43Å; D155-Q159 WeakPolarHBondContact O-CB 3.28Å; D155-Q159 PolarHBondContact O-N 3.19Å
156	R	98.7	Very high	97.7	Very high	45 Å²	45	47.1 Å²	47.1	17%	0.17	24%	0.235	C	C	.	.	H	α-helix	trans	-65.3	-41.5	176.9	-178.5	58.8	176.6	163.2	7.8	112.1	Q152 Y153 V154 Q159 V160 E241 F248	Q152-R156 PolarHBondContact O-N 2.89Å; Y153-R156 PolarHBondContact O-N 2.95Å; V154-R156 VanDerWaalsContact C-N 3.29Å; V154-R156 PolarHBondContact O-N 3.02Å; R156-Q159 VanDerWaalsContact NH1-CD 3.29Å; R156-Q159 WeakPolarHBondContact O-CB 3.44Å; R156-Q159 PolarHBondContact O-N 3.28Å; R156-V160 HydrophobicContact CG-CG1 4.49Å; R156-V160 VanDerWaalsContact CZ-CG1 3.47Å; R156-V160 WeakPolarHBondContact O-CG2 3.41Å; R156-V160 PolarHBondContact O-N 3.07Å; R156-E241 IonicContact CZ-OE1 2.71Å; R156-E241 IonicContact CZ-OE2 3.15Å; R156-E241 IonicContact NE-OE1 3.94Å; R156-E241 PolarHBondContact NE-OE1 3.36Å; R156-E241 IonicContact NE-OE2 3.69Å; R156-E241 IonicContact NH2-OE1 3.65Å; R156-E241 PolarHBondContact NH2-OE1 3.37Å; R156-E241 IonicContact NH2-OE2 3.93Å; R156-E241 PolarHBondContact NH2-OE2 3.28Å; R156-F248 HydrophobicContact CB-CE2 3.83Å; R156-F248 HydrophobicContact CB-CZ 3.74Å; R156-F248 HydrophobicContact CG-CE2 3.67Å; R156-F248 HydrophobicContact CG-CZ 3.96Å
157	I	98.8	Very high	97.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.7	-47.3	178.1	-71.3	164.6	0	0	0	110.5	T96 A99 M100 E103 Y153 V154 Q159 V160 G161	T96-I157 HydrophobicContact CG2-CD1 3.9Å; A99-I157 HydrophobicContact CB-CB 4.39Å; A99-I157 HydrophobicContact CB-CG2 4.05Å; M100-I157 VanDerWaalsContact CA-CG2 3.5Å; M100-I157 HydrophobicContact CB-CD1 4.42Å; M100-I157 HydrophobicContact CB-CG2 4.12Å; E103-I157 HydrophobicContact CG-CG2 4.32Å; Y153-I157 HydrophobicContact CD1-CD1 4.38Å; Y153-I157 HydrophobicContact CD2-CD1 3.98Å; Y153-I157 HydrophobicContact CD2-CG1 4.14Å; Y153-I157 HydrophobicContact CE1-CD1 4.28Å; Y153-I157 HydrophobicContact CE2-CD1 3.91Å; Y153-I157 HydrophobicContact CE2-CG1 4.02Å; Y153-I157 HydrophobicContact CG-CD1 4.21Å; Y153-I157 WeakPolarHBondContact O-CG1 3.38Å; Y153-I157 PolarHBondContact O-N 3.06Å; V154-I157 PolarHBondContact O-N 2.98Å; V154-I157 VanDerWaalsContact O-N 3.16Å; I157-Q159 VanDerWaalsContact C-N 3.34Å; I157-Q159 PolarHBondContact O-N 2.86Å; I157-V160 WeakPolarHBondContact O-CG2 3.31Å; I157-V160 PolarHBondContact O-N 3.46Å; I157-G161 PolarHBondContact O-N 3.27Å
158	H	98.9	Very high	97.8	Very high	43 Å²	43	44.4 Å²	44.4	20%	0.199	22%	0.215	C	C	.	.	H	α-helix	trans	-61.4	-42.7	174.7	-74.3	-55.1	0	0	0	112.1	A99 E102 E103 V154 D155 V160 G161 Q162	A99-H158 WeakPolarHBondContact CB-NE2 3.48Å; E102-H158 IonicContact OE2-CE1 2.69Å; E102-H158 PolarHBondContact OE2-CE1 2.86Å; E103-H158 IonicContact OE1-CE1 2.73Å; E103-H158 IonicContact OE1-CG 3.75Å; E103-H158 IonicContact OE1-ND1 3.42Å; E103-H158 PolarHBondContact OE1-ND1 2.81Å; V154-H158 PolarHBondContact O-CD2 2.92Å; V154-H158 VanDerWaalsContact O-CD2 3.31Å; V154-H158 PolarHBondContact O-N 3.39Å; D155-H158 PolarHBondContact O-N 3.43Å; H158-V160 PolarHBondContact O-N 3.39Å; H158-G161 PolarHBondContact O-N 3.49Å; H158-Q162 WeakPolarHBondContact O-CB 3.49Å; H158-Q162 WeakPolarHBondContact O-CG 3.27Å; H158-Q162 PolarHBondContact O-N 2.89Å
159	Q	98.7	Very high	97.8	Very high	79 Å²	79	37.5 Å²	37.5	37%	0.369	18%	0.183	S	C	.	.	H	α-helix	trans	-57.8	-51.2	177.2	-171	-170.2	8.4	0	0	111.5	D155 R156 I157 Q162 E163	D155-Q159 WeakPolarHBondContact O-CB 3.28Å; D155-Q159 PolarHBondContact O-N 3.19Å; R156-Q159 VanDerWaalsContact NH1-CD 3.29Å; R156-Q159 WeakPolarHBondContact O-CB 3.44Å; R156-Q159 PolarHBondContact O-N 3.28Å; I157-Q159 VanDerWaalsContact C-N 3.34Å; I157-Q159 PolarHBondContact O-N 2.86Å; Q159-Q162 PolarHBondContact O-N 3.49Å; Q159-E163 HydrophobicContact CG-CG 4.31Å; Q159-E163 VanDerWaalsContact CG-OE2 3.25Å; Q159-E163 WeakPolarHBondContact CG-OE2 3.17Å; Q159-E163 PolarHBondContact NE2-OE2 3.28Å; Q159-E163 VanDerWaalsContact O-CB 3.27Å; Q159-E163 WeakPolarHBondContact O-CB 3.15Å; Q159-E163 WeakPolarHBondContact O-CG 3.38Å; Q159-E163 PolarHBondContact O-N 3.1Å
160	V	97.9	Very high	97.8	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.012	18%	0.18	C	C	.	.	H	α-helix	trans	-67.7	-39.1	-178.8	-61	0	0	0	0	111.9	R156 I157 H158 Q162 D164 L167 L168	R156-V160 HydrophobicContact CG-CG1 4.49Å; R156-V160 VanDerWaalsContact CZ-CG1 3.47Å; R156-V160 WeakPolarHBondContact O-CG2 3.41Å; R156-V160 PolarHBondContact O-N 3.07Å; I157-V160 WeakPolarHBondContact O-CG2 3.31Å; I157-V160 PolarHBondContact O-N 3.46Å; H158-V160 PolarHBondContact O-N 3.39Å; V160-Q162 PolarHBondContact O-N 3.45Å; V160-D164 CarbonylContact O-C 3.6Å; V160-D164 WeakPolarHBondContact O-CA 3.33Å; V160-D164 PolarHBondContact O-N 3.23Å; V160-D164 VanDerWaalsContact O-O 3.06Å; V160-L167 HydrophobicContact CB-CB 4.16Å; V160-L167 HydrophobicContact CG1-CB 4.22Å; V160-L168 HydrophobicContact CG2-CD1 4.45Å
161	G	97.6	Very high	97.8	Very high	1 Å²	1	37 Å²	37	1%	0.01	18%	0.179	C	C	.	.	H	α-helix	trans	-63	-29.1	177.8	0	0	0	0	0	113.6	E103 N107 I157 H158	E103-G161 VanDerWaalsContact OE2-C 3.26Å; E103-G161 WeakPolarHBondContact OE2-CA 3.4Å; N107-G161 PolarHBondContact ND2-O 2.93Å; I157-G161 PolarHBondContact O-N 3.27Å; H158-G161 PolarHBondContact O-N 3.49Å
162	Q	97.4	Very high	97.8	Very high	110 Å²	110	33.5 Å²	33.5	51%	0.514	16%	0.163	S	C	.	.	H	α-helix	trans	-95.1	-36.7	-178.2	-66.6	166.7	25.1	0	0	113.2	E103 H158 Q159 V160	E103-Q162 PolarHBondContact OE1-NE2 3.16Å; E103-Q162 VanDerWaalsContact OE1-NE2 3.15Å; H158-Q162 WeakPolarHBondContact O-CB 3.49Å; H158-Q162 WeakPolarHBondContact O-CG 3.27Å; H158-Q162 PolarHBondContact O-N 2.89Å; Q159-Q162 PolarHBondContact O-N 3.49Å; V160-Q162 PolarHBondContact O-N 3.45Å
163	E	97	Very high	97.7	Very high	140 Å²	140	30.3 Å²	30.3	65%	0.654	15%	0.147	S	C	*	.	H	α-helix	trans	-102.4	-34	-171.1	-60.4	-180	174.6	0	0	113.6	Q159	Q159-E163 HydrophobicContact CG-CG 4.31Å; Q159-E163 VanDerWaalsContact CG-OE2 3.25Å; Q159-E163 WeakPolarHBondContact CG-OE2 3.17Å; Q159-E163 PolarHBondContact NE2-OE2 3.28Å; Q159-E163 VanDerWaalsContact O-CB 3.27Å; Q159-E163 WeakPolarHBondContact O-CB 3.15Å; Q159-E163 WeakPolarHBondContact O-CG 3.38Å; Q159-E163 PolarHBondContact O-N 3.1Å
164	D	95	Very high	97.6	Very high	59 Å²	59	30.8 Å²	30.8	32%	0.316	15%	0.15	S	C	.	.			trans	-146.4	72.5	-176.2	-162.4	-2.9	0	0	0	111.8	V160 V166 L167	V160-D164 CarbonylContact O-C 3.6Å; V160-D164 WeakPolarHBondContact O-CA 3.33Å; V160-D164 PolarHBondContact O-N 3.23Å; V160-D164 VanDerWaalsContact O-O 3.06Å; D164-V166 PolarHBondContact O-N 2.89Å; D164-V166 VanDerWaalsContact OD1-CG1 3.3Å; D164-V166 WeakPolarHBondContact OD1-CG1 3.2Å; D164-L167 HydrophobicContact CB-CD1 4.11Å; D164-L167 HydrophobicContact CB-CG 4.23Å; D164-L167 WeakPolarHBondContact O-CB 3.17Å; D164-L167 PolarHBondContact O-N 2.83Å; D164-L167 WeakPolarHBondContact OD2-CD1 3.35Å
165	P	93.1	Very high	97.5	Very high	22 Å²	22	31.4 Å²	31.4	14%	0.143	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-57.5	-25.4	-168.4	-30	37.1	0	0	0	115.8	N107 L167 L168	N107-P165 HydrophobicContact CB-CB 4.42Å; N107-P165 WeakPolarHBondContact OD1-CB 3.47Å; N107-P165 VanDerWaalsContact OD1-CG 3.31Å; N107-P165 WeakPolarHBondContact OD1-CG 3.29Å; P165-L167 PolarHBondContact O-N 2.78Å; P165-L168 WeakPolarHBondContact O-CB 3.33Å; P165-L168 PolarHBondContact O-N 3.13Å; P165-L168 VanDerWaalsContact O-N 3.16Å
166	V	95.4	Very high	97.4	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.024	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-61.2	-35.9	175.6	67.3	0	0	0	0	110.8	Q112 D164 L168 V169 L230 T234 L238	Q112-V166 HydrophobicContact CB-CB 4.08Å; Q112-V166 HydrophobicContact CB-CG2 4.11Å; D164-V166 PolarHBondContact O-N 2.89Å; D164-V166 VanDerWaalsContact OD1-CG1 3.3Å; D164-V166 WeakPolarHBondContact OD1-CG1 3.2Å; V166-L168 PolarHBondContact O-N 3.25Å; V166-V169 WeakPolarHBondContact O-CB 3.45Å; V166-V169 VanDerWaalsContact O-CG2 3.24Å; V166-V169 WeakPolarHBondContact O-CG2 3.32Å; V166-V169 PolarHBondContact O-N 3.2Å; V166-V169 VanDerWaalsContact O-N 3.15Å; V166-L230 HydrophobicContact CG2-CD1 4.16Å; V166-L230 HydrophobicContact CG2-CD2 3.7Å; V166-T234 HydrophobicContact CG1-CG2 3.96Å; V166-T234 HydrophobicContact CG2-CG2 3.9Å; V166-L238 HydrophobicContact CG2-CD1 4.17Å; V166-L238 VanDerWaalsContact O-CD2 3.32Å; V166-L238 WeakPolarHBondContact O-CD2 3.13Å
167	L	98.1	Very high	97.2	Very high	11 Å²	11	25.7 Å²	25.7	6%	0.058	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-67.2	-17.6	-179.9	-63.6	-172.3	0	0	0	113.2	V160 D164 P165 V169 A170 K237 L238 E241	V160-L167 HydrophobicContact CB-CB 4.16Å; V160-L167 HydrophobicContact CG1-CB 4.22Å; D164-L167 HydrophobicContact CB-CD1 4.11Å; D164-L167 HydrophobicContact CB-CG 4.23Å; D164-L167 WeakPolarHBondContact O-CB 3.17Å; D164-L167 PolarHBondContact O-N 2.83Å; D164-L167 WeakPolarHBondContact OD2-CD1 3.35Å; P165-L167 PolarHBondContact O-N 2.78Å; L167-V169 PolarHBondContact O-N 3.09Å; L167-A170 VanDerWaalsContact O-CB 3.31Å; L167-A170 WeakPolarHBondContact O-CB 3.48Å; L167-A170 PolarHBondContact O-N 3.16Å; L167-K237 HydrophobicContact CD2-CB 4.03Å; L167-L238 HydrophobicContact CD2-CD2 4.24Å; L167-L238 HydrophobicContact CD2-CG 4.27Å; L167-E241 HydrophobicContact CB-CG 4.2Å; L167-E241 HydrophobicContact CD1-CG 4.47Å; L167-E241 HydrophobicContact CD2-CB 4.28Å
168	L	98.2	Very high	96.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-59	-29.5	173.3	-171.4	62	0	0	0	112.1	E103 I104 N107 F113 V160 P165 V166 A170 H171 A172	E103-L168 HydrophobicContact CB-CD1 4.15Å; E103-L168 HydrophobicContact CB-CD2 4.18Å; E103-L168 WeakPolarHBondContact O-CD2 3.27Å; I104-L168 HydrophobicContact CG1-CD2 3.94Å; I104-L168 HydrophobicContact CG1-CG 4.4Å; N107-L168 HydrophobicContact CB-CD2 4.41Å; F113-L168 HydrophobicContact CD2-CB 4.13Å; F113-L168 HydrophobicContact CD2-CD2 4.03Å; F113-L168 HydrophobicContact CD2-CG 4.14Å; F113-L168 HydrophobicContact CE2-CB 4.3Å; F113-L168 HydrophobicContact CE2-CD2 3.97Å; F113-L168 HydrophobicContact CE2-CG 3.9Å; F113-L168 HydrophobicContact CZ-CD2 4.46Å; V160-L168 HydrophobicContact CG2-CD1 4.45Å; P165-L168 WeakPolarHBondContact O-CB 3.33Å; P165-L168 PolarHBondContact O-N 3.13Å; P165-L168 VanDerWaalsContact O-N 3.16Å; V166-L168 PolarHBondContact O-N 3.25Å; L168-A170 PolarHBondContact O-N 3.48Å; L168-H171 PolarHBondContact O-N 3.21Å; L168-H171 VanDerWaalsContact O-N 3.14Å; L168-A172 PolarHBondContact O-N 3.09Å
169	V	98.1	Very high	96.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-55.1	-38.3	174.4	175.3	0	0	0	0	111.3	L52 F113 L116 V166 L167 H171 Y173 M225 L228 L238	L52-V169 HydrophobicContact CD2-CG1 4.3Å; F113-V169 HydrophobicContact CD2-CG2 3.94Å; F113-V169 HydrophobicContact CE2-CG2 4.48Å; L116-V169 HydrophobicContact CD1-CB 4.11Å; L116-V169 HydrophobicContact CD1-CG1 3.52Å; L116-V169 HydrophobicContact CD1-CG2 3.77Å; V166-V169 WeakPolarHBondContact O-CB 3.45Å; V166-V169 VanDerWaalsContact O-CG2 3.24Å; V166-V169 WeakPolarHBondContact O-CG2 3.32Å; V166-V169 PolarHBondContact O-N 3.2Å; V166-V169 VanDerWaalsContact O-N 3.15Å; L167-V169 PolarHBondContact O-N 3.09Å; V169-H171 PolarHBondContact O-N 3.36Å; V169-Y173 WeakPolarHBondContact O-CB 3.4Å; V169-Y173 PolarHBondContact O-N 2.9Å; V169-M225 HydrophobicContact CG1-CG 4.46Å; V169-M225 HydrophobicContact CG1-SD 4.36Å; V169-L228 HydrophobicContact CG1-CD1 4.35Å; V169-L228 HydrophobicContact CG2-CD1 4.01Å; V169-L238 HydrophobicContact CB-CD2 3.85Å; V169-L238 HydrophobicContact CG1-CD2 4.35Å
170	A	98.4	Very high	96.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-66.3	-37.2	-179.7	0	0	0	0	0	113	L167 L168 T174 L238 E241 A242	L167-A170 VanDerWaalsContact O-CB 3.31Å; L167-A170 WeakPolarHBondContact O-CB 3.48Å; L167-A170 PolarHBondContact O-N 3.16Å; L168-A170 PolarHBondContact O-N 3.48Å; A170-T174 WeakPolarHBondContact O-CB 3.47Å; A170-T174 PolarHBondContact O-N 2.87Å; A170-T174 VanDerWaalsContact O-N 3.07Å; A170-T174 PolarHBondContact O-OG1 3.12Å; A170-L238 HydrophobicContact CB-CD2 3.99Å; A170-L238 WeakPolarHBondContact CB-O 3.34Å; A170-E241 HydrophobicContact CB-CB 3.85Å; A170-E241 HydrophobicContact CB-CG 4.1Å; A170-A242 HydrophobicContact CB-CB 3.98Å
171	H	98.5	Very high	95.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-72.4	-47.8	177.3	-68.1	-85.1	0	0	0	111.3	M100 Y153 L168 V169 Y173 T174 R175 E241	M100-H171 HydrophobicContact SD-CB 4.42Å; Y153-H171 AromaticContact CE2-CE1 3.68Å; Y153-H171 AromaticContact CE2-ND1 3.35Å; Y153-H171 VanDerWaalsContact CE2-ND1 3.35Å; Y153-H171 WeakPolarHBondContact CE2-ND1 3.38Å; Y153-H171 AromaticContact CZ-ND1 3.85Å; Y153-H171 PolarHBondContact OH-ND1 3.31Å; L168-H171 PolarHBondContact O-N 3.21Å; L168-H171 VanDerWaalsContact O-N 3.14Å; V169-H171 PolarHBondContact O-N 3.36Å; H171-Y173 VanDerWaalsContact C-N 3.34Å; H171-Y173 PolarHBondContact O-N 3.5Å; H171-T174 PolarHBondContact O-N 3.3Å; H171-R175 PolarHBondContact O-N 2.73Å; H171-E241 IonicContact NE2-OE1 2.91Å; H171-E241 PolarHBondContact NE2-OE1 2.92Å
172	A	98.3	Very high	94.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-59.7	-44.5	176.7	0	0	0	0	0	111.5	F113 L168 Y176 Y221	F113-A172 HydrophobicContact CE2-CB 4.28Å; F113-A172 HydrophobicContact CZ-CB 4.49Å; L168-A172 PolarHBondContact O-N 3.09Å; A172-Y176 HydrophobicContact CB-CD2 3.97Å; A172-Y176 HydrophobicContact CB-CE2 4.08Å; A172-Y176 WeakPolarHBondContact O-CB 3.32Å; A172-Y176 WeakPolarHBondContact O-CD2 3.32Å; A172-Y176 PolarHBondContact O-N 2.84Å; A172-Y221 WeakPolarHBondContact CB-OH 3.3Å
173	Y	97.4	Very high	94	Very high	19 Å²	19	22.7 Å²	22.7	8%	0.075	14%	0.137	C	C	.	.	H	α-helix	trans	-57.8	-54.8	174.3	169.1	-99.8	0	0	0	111.7	L56 V169 H171 R175 M177 M225	L56-Y173 HydrophobicContact CB-CD1 4.23Å; L56-Y173 HydrophobicContact CB-CE1 3.76Å; L56-Y173 HydrophobicContact CB-CE2 4.36Å; L56-Y173 HydrophobicContact CD1-CD1 4.04Å; L56-Y173 HydrophobicContact CD1-CD2 4.12Å; L56-Y173 HydrophobicContact CD1-CE1 4.38Å; L56-Y173 HydrophobicContact CD1-CE2 4.45Å; L56-Y173 HydrophobicContact CD1-CG 3.9Å; L56-Y173 HydrophobicContact CD2-CD1 4.22Å; L56-Y173 HydrophobicContact CD2-CE1 4.43Å; L56-Y173 HydrophobicContact CG-CD1 4.42Å; L56-Y173 HydrophobicContact CG-CE1 4.43Å; V169-Y173 WeakPolarHBondContact O-CB 3.4Å; V169-Y173 PolarHBondContact O-N 2.9Å; H171-Y173 VanDerWaalsContact C-N 3.34Å; H171-Y173 PolarHBondContact O-N 3.5Å; Y173-R175 VanDerWaalsContact C-N 3.29Å; Y173-R175 PolarHBondContact O-N 3.41Å; Y173-M177 HydrophobicContact CD2-CB 4.31Å; Y173-M177 HydrophobicContact CD2-CG 3.6Å; Y173-M177 HydrophobicContact CE2-CB 4.32Å; Y173-M177 HydrophobicContact CE2-CG 3.88Å; Y173-M177 HydrophobicContact CG-CG 4.41Å; Y173-M177 WeakPolarHBondContact O-CB 3.31Å; Y173-M177 WeakPolarHBondContact O-CG 3.33Å; Y173-M177 PolarHBondContact O-N 2.93Å; Y173-M177 VanDerWaalsContact O-N 3.12Å; Y173-M225 HydrophobicContact CD2-CE 3.62Å; Y173-M225 HydrophobicContact CD2-SD 3.7Å; Y173-M225 HydrophobicContact CE2-CE 3.92Å; Y173-M225 HydrophobicContact CG-SD 4.28Å
174	T	96.1	Very high	93.4	Very high	12 Å²	12	20.8 Å²	20.8	7%	0.074	13%	0.128	C	C	.	.	H	α-helix	trans	-57.5	-42.3	-175.9	-63.8	0	0	0	0	111.7	A170 H171 A245 F246	A170-T174 WeakPolarHBondContact O-CB 3.47Å; A170-T174 PolarHBondContact O-N 2.87Å; A170-T174 VanDerWaalsContact O-N 3.07Å; A170-T174 PolarHBondContact O-OG1 3.12Å; H171-T174 PolarHBondContact O-N 3.3Å; T174-A245 HydrophobicContact CG2-CB 4.01Å; T174-F246 HydrophobicContact CG2-CD2 3.79Å; T174-F246 HydrophobicContact CG2-CE1 4.46Å; T174-F246 HydrophobicContact CG2-CE2 3.69Å; T174-F246 HydrophobicContact CG2-CG 4.21Å; T174-F246 HydrophobicContact CG2-CZ 4.05Å
175	R	96.6	Very high	93.1	Very high	25 Å²	25	22 Å²	22	9%	0.094	14%	0.137	C	C	.	.	H	α-helix	trans	-78.9	-64.1	-178.5	-71.2	-53	-47.8	177.9	11.4	112.4	Y97 M100 H171 Y173 M177 G178 D179 N249	Y97-R175 HydrophobicContact CE1-CB 4.35Å; Y97-R175 VanDerWaalsContact OH-CZ 3.31Å; Y97-R175 PolarHBondContact OH-NE 3.03Å; Y97-R175 PolarHBondContact OH-NH2 3.16Å; M100-R175 HydrophobicContact CE-CB 4.09Å; M100-R175 HydrophobicContact CE-CG 4.43Å; M100-R175 HydrophobicContact SD-CB 4.18Å; M100-R175 HydrophobicContact SD-CG 4.22Å; H171-R175 PolarHBondContact O-N 2.73Å; Y173-R175 VanDerWaalsContact C-N 3.29Å; Y173-R175 PolarHBondContact O-N 3.41Å; R175-M177 PolarHBondContact O-N 2.73Å; R175-G178 PolarHBondContact O-N 2.79Å; R175-G178 VanDerWaalsContact O-N 3.12Å; R175-D179 IonicContact NH2-OD1 3.58Å; R175-D179 PolarHBondContact NH2-OD1 3.37Å; R175-D179 PolarHBondContact O-N 3.36Å; R175-N249 PolarHBondContact NH1-OD1 3.34Å
176	Y	97.7	Very high	92.9	Very high	4 Å²	4	23.4 Å²	23.4	2%	0.016	14%	0.143	C	C	.	.	H	α-helix	trans	-64.6	-38.6	-171.5	-63.9	-47.6	0	0	0	113.3	Y97 M100 E101 I104 L122 H123 R124 A172 G178 D179 L180	Y97-Y176 AromaticContact CD1-CE1 3.97Å; Y97-Y176 HydrophobicContact CD1-CE1 3.97Å; Y97-Y176 AromaticContact CE1-CD1 3.94Å; Y97-Y176 HydrophobicContact CE1-CD1 3.94Å; Y97-Y176 AromaticContact CE1-CE1 3.61Å; Y97-Y176 HydrophobicContact CE1-CE1 3.61Å; M100-Y176 HydrophobicContact CE-CD1 4.45Å; M100-Y176 HydrophobicContact CE-CE1 3.78Å; M100-Y176 HydrophobicContact CE-CE2 3.91Å; M100-Y176 VanDerWaalsContact CE-CZ 3.48Å; E101-Y176 WeakPolarHBondContact CG-OH 3.32Å; E101-Y176 PolarHBondContact OE1-OH 3.18Å; I104-Y176 HydrophobicContact CD1-CE2 3.87Å; L122-Y176 HydrophobicContact CB-CD1 3.96Å; L122-Y176 HydrophobicContact CB-CD2 4.21Å; L122-Y176 HydrophobicContact CB-CE1 3.91Å; L122-Y176 HydrophobicContact CB-CE2 4.16Å; L122-Y176 HydrophobicContact CB-CG 4.1Å; L122-Y176 HydrophobicContact CD1-CD2 3.77Å; L122-Y176 HydrophobicContact CD1-CE2 4.28Å; L122-Y176 HydrophobicContact CD1-CG 3.96Å; L122-Y176 HydrophobicContact CD2-CD1 4.34Å; L122-Y176 HydrophobicContact CD2-CG 4.18Å; L122-Y176 HydrophobicContact CG-CD2 4.49Å; L122-Y176 HydrophobicContact CG-CG 4.33Å; L122-Y176 WeakPolarHBondContact O-CE1 3.38Å; H123-Y176 PolarHBondContact CD2-OH 3.27Å; R124-Y176 HydrophobicContact CG-CE1 4.35Å; A172-Y176 HydrophobicContact CB-CD2 3.97Å; A172-Y176 HydrophobicContact CB-CE2 4.08Å; A172-Y176 WeakPolarHBondContact O-CB 3.32Å; A172-Y176 WeakPolarHBondContact O-CD2 3.32Å; A172-Y176 PolarHBondContact O-N 2.84Å; Y176-G178 VanDerWaalsContact C-N 3.29Å; Y176-G178 PolarHBondContact O-N 3.15Å; Y176-D179 PolarHBondContact O-N 3.25Å; Y176-L180 WeakPolarHBondContact O-CG 3.42Å; Y176-L180 PolarHBondContact O-N 3.03Å; Y176-L180 VanDerWaalsContact O-N 3.09Å
177	M	94.3	Very high	92.8	Very high	9 Å²	9	25 Å²	25	4%	0.044	15%	0.149	C	C	.	.	H	α-helix	trans	-70.4	-30.3	178.4	-61.2	-61.1	100.4	0	0	112	Y173 R175 L180 S181 K218 Y221	Y173-M177 HydrophobicContact CD2-CB 4.31Å; Y173-M177 HydrophobicContact CD2-CG 3.6Å; Y173-M177 HydrophobicContact CE2-CB 4.32Å; Y173-M177 HydrophobicContact CE2-CG 3.88Å; Y173-M177 HydrophobicContact CG-CG 4.41Å; Y173-M177 WeakPolarHBondContact O-CB 3.31Å; Y173-M177 WeakPolarHBondContact O-CG 3.33Å; Y173-M177 PolarHBondContact O-N 2.93Å; Y173-M177 VanDerWaalsContact O-N 3.12Å; R175-M177 PolarHBondContact O-N 2.73Å; M177-L180 HydrophobicContact CE-CD1 3.95Å; M177-S181 WeakPolarHBondContact O-CB 3.22Å; M177-S181 PolarHBondContact O-N 3.14Å; M177-S181 PolarHBondContact O-OG 3.45Å; M177-K218 HydrophobicContact SD-CB 4.3Å; M177-K218 HydrophobicContact SD-CG 3.87Å; M177-Y221 HydrophobicContact CE-CD1 3.54Å; M177-Y221 HydrophobicContact CE-CD2 3.77Å; M177-Y221 HydrophobicContact CE-CE1 4Å; M177-Y221 HydrophobicContact CE-CE2 4.2Å; M177-Y221 HydrophobicContact CE-CG 3.4Å; M177-Y221 VanDerWaalsContact CE-CG 3.4Å; M177-Y221 HydrophobicContact CG-CD1 4.27Å; M177-Y221 HydrophobicContact CG-CE1 4.46Å; M177-Y221 HydrophobicContact SD-CD1 3.71Å; M177-Y221 HydrophobicContact SD-CE1 4.41Å; M177-Y221 HydrophobicContact SD-CG 3.96Å
178	G	91.1	Very high	92.5	Very high	38 Å²	38	31.3 Å²	31.3	39%	0.392	18%	0.176	S	C	.	.	H	α-helix	trans	-64.2	-49.4	171.1	0	0	0	0	0	111.6	R175 Y176 L180 S181 G182	R175-G178 PolarHBondContact O-N 2.79Å; R175-G178 VanDerWaalsContact O-N 3.12Å; Y176-G178 VanDerWaalsContact C-N 3.29Å; Y176-G178 PolarHBondContact O-N 3.15Å; G178-L180 VanDerWaalsContact C-N 3.32Å; G178-L180 PolarHBondContact O-N 3.21Å; G178-S181 PolarHBondContact O-N 3.3Å; G178-G182 PolarHBondContact O-N 3.18Å
179	D	94.4	Very high	92.3	Very high	15 Å²	15	32.2 Å²	32.2	8%	0.08	18%	0.181	C	C	.	.	H	α-helix	trans	-59.3	-42.8	-179.7	-55.1	-33.8	0	0	0	111.9	Y97 R175 Y176 S181 G183 F205 F208	Y97-D179 PolarHBondContact OH-OD1 3.15Å; Y97-D179 VanDerWaalsContact OH-OD1 3.05Å; Y97-D179 PolarHBondContact OH-OD2 3.04Å; R175-D179 IonicContact NH2-OD1 3.58Å; R175-D179 PolarHBondContact NH2-OD1 3.37Å; R175-D179 PolarHBondContact O-N 3.36Å; Y176-D179 PolarHBondContact O-N 3.25Å; D179-S181 PolarHBondContact O-N 3.07Å; D179-G183 WeakPolarHBondContact O-CA 3.3Å; D179-G183 PolarHBondContact O-N 2.92Å; D179-F205 WeakPolarHBondContact OD1-CZ 3.48Å; D179-F208 HydrophobicContact CB-CE2 4.14Å; D179-F208 HydrophobicContact CB-CZ 3.65Å
180	L	92.9	Very high	92.1	Very high	15 Å²	15	32.2 Å²	32.2	8%	0.079	18%	0.181	C	C	.	.	H	α-helix	trans	-74.1	-6	178.2	-66.5	178.6	0	0	0	114.1	L122 Y176 M177 G178 F208 I211 A214 F217 K218	L122-L180 HydrophobicContact CD2-CD1 3.98Å; Y176-L180 WeakPolarHBondContact O-CG 3.42Å; Y176-L180 PolarHBondContact O-N 3.03Å; Y176-L180 VanDerWaalsContact O-N 3.09Å; M177-L180 HydrophobicContact CE-CD1 3.95Å; G178-L180 VanDerWaalsContact C-N 3.32Å; G178-L180 PolarHBondContact O-N 3.21Å; L180-F208 HydrophobicContact CD2-CD1 3.81Å; L180-F208 HydrophobicContact CD2-CD2 4.02Å; L180-F208 HydrophobicContact CD2-CE1 3.94Å; L180-F208 HydrophobicContact CD2-CE2 4.14Å; L180-F208 HydrophobicContact CD2-CG 3.87Å; L180-F208 HydrophobicContact CD2-CZ 4.11Å; L180-I211 HydrophobicContact CD1-CD1 4.27Å; L180-I211 HydrophobicContact CD2-CD1 3.81Å; L180-A214 HydrophobicContact CD2-CB 4.44Å; L180-F217 HydrophobicContact CD1-CD1 3.71Å; L180-F217 HydrophobicContact CD1-CE1 4.32Å; L180-K218 HydrophobicContact CB-CD 3.78Å; L180-K218 HydrophobicContact CB-CG 3.87Å; L180-K218 HydrophobicContact CD1-CG 3.93Å; L180-K218 PolarHBondContact O-NZ 3.05Å
181	S	82.4	Confident	91.9	Very high	75 Å²	75	34.8 Å²	34.8	52%	0.524	19%	0.193	S	C	.	.	H	α-helix	trans	-104.6	-44.5	179.9	-60.2	0	0	0	0	112.4	M177 G178 D179 K218	M177-S181 WeakPolarHBondContact O-CB 3.22Å; M177-S181 PolarHBondContact O-N 3.14Å; M177-S181 PolarHBondContact O-OG 3.45Å; G178-S181 PolarHBondContact O-N 3.3Å; D179-S181 PolarHBondContact O-N 3.07Å; S181-K218 PolarHBondContact OG-NZ 2.87Å
182	G	77.4	Confident	91.8	Very high	28 Å²	28	43.2 Å²	43.2	29%	0.289	23%	0.225	S	C	.	.	H	α-helix	trans	-110.1	-14.4	-177.8	0	0	0	0	0	115.3	G178 Q184 V185 L186	G178-G182 PolarHBondContact O-N 3.18Å; G182-Q184 VanDerWaalsContact C-N 3.32Å; G182-Q184 PolarHBondContact O-N 3.04Å; G182-V185 PolarHBondContact O-N 3.49Å; G182-L186 PolarHBondContact O-N 2.78Å
183	G	82.9	Confident	91.5	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-57.9	-38.3	-166.5	0	0	0	0	0	114.5	D179 V185 L186 R187 Y206	D179-G183 WeakPolarHBondContact O-CA 3.3Å; D179-G183 PolarHBondContact O-N 2.92Å; G183-V185 PolarHBondContact O-N 3.35Å; G183-L186 PolarHBondContact O-N 2.99Å; G183-R187 VanDerWaalsContact O-CB 3.3Å; G183-R187 WeakPolarHBondContact O-CB 3.41Å; G183-R187 PolarHBondContact O-N 3.01Å; G183-Y206 WeakPolarHBondContact O-CD1 3.08Å
184	Q	85.4	Confident	91.4	Very high	99 Å²	99	45 Å²	45	46%	0.463	24%	0.24	S	C	.	.	H	α-helix	trans	-69.2	-32.9	178.7	-64.4	-52.7	-42.3	0	0	113.3	G182 K188 Y206	G182-Q184 VanDerWaalsContact C-N 3.32Å; G182-Q184 PolarHBondContact O-N 3.04Å; Q184-K188 WeakPolarHBondContact O-CG 3.39Å; Q184-K188 PolarHBondContact O-N 3.12Å; Q184-Y206 PolarHBondContact NE2-O 3.28Å
185	V	88.4	Confident	91.3	Very high	85 Å²	85	52 Å²	52	52%	0.515	27%	0.27	S	S	.	.	H	α-helix	trans	-69.5	-47.8	174	176.3	0	0	0	0	109	L77 G182 G183 R187 K188 V189	L77-V185 HydrophobicContact CD2-CG1 4.19Å; G182-V185 PolarHBondContact O-N 3.49Å; G183-V185 PolarHBondContact O-N 3.35Å; V185-R187 VanDerWaalsContact C-N 3.34Å; V185-R187 PolarHBondContact O-N 3.17Å; V185-K188 PolarHBondContact O-N 2.83Å; V185-V189 HydrophobicContact CG1-CG2 4.46Å; V185-V189 WeakPolarHBondContact O-CG2 3.41Å; V185-V189 PolarHBondContact O-N 3.42Å
186	L	88.9	Confident	91.2	Very high	51 Å²	51	51.4 Å²	51.4	27%	0.267	27%	0.268	S	S	.	.	H	α-helix	trans	-60.2	-43.5	179.4	-62.5	176.3	0	0	0	111.8	F76 L77 G182 G183 K188 V189 A190 Y206	F76-L186 HydrophobicContact CD1-CD2 3.5Å; F76-L186 VanDerWaalsContact CD1-CD2 3.5Å; F76-L186 HydrophobicContact CE1-CB 3.84Å; F76-L186 HydrophobicContact CE1-CD2 3.42Å; F76-L186 VanDerWaalsContact CE1-CD2 3.42Å; F76-L186 HydrophobicContact CE1-CG 4.21Å; F76-L186 HydrophobicContact CG-CD2 4.44Å; F76-L186 HydrophobicContact CZ-CB 4.21Å; F76-L186 HydrophobicContact CZ-CD2 4.26Å; L77-L186 HydrophobicContact CD2-CD2 3.91Å; G182-L186 PolarHBondContact O-N 2.78Å; G183-L186 PolarHBondContact O-N 2.99Å; L186-K188 PolarHBondContact O-N 3.3Å; L186-V189 PolarHBondContact O-N 3.36Å; L186-A190 WeakPolarHBondContact O-CB 3.3Å; L186-A190 PolarHBondContact O-N 2.9Å; L186-Y206 HydrophobicContact CB-CD1 4.39Å; L186-Y206 HydrophobicContact CB-CE1 3.82Å; L186-Y206 HydrophobicContact CD1-CE1 4.21Å
187	R	93	Very high	91.1	Very high	38 Å²	38	52.7 Å²	52.7	14%	0.143	28%	0.277	C	S	.	.	H	α-helix	trans	-53.2	-53.2	174	-179.4	-180	170.5	153.6	2.2	112	G183 V185 V189 A190 Q191 L203 Y206	G183-R187 VanDerWaalsContact O-CB 3.3Å; G183-R187 WeakPolarHBondContact O-CB 3.41Å; G183-R187 PolarHBondContact O-N 3.01Å; V185-R187 VanDerWaalsContact C-N 3.34Å; V185-R187 PolarHBondContact O-N 3.17Å; R187-V189 VanDerWaalsContact C-N 3.3Å; R187-V189 PolarHBondContact O-N 3.05Å; R187-A190 PolarHBondContact O-N 3.27Å; R187-Q191 VanDerWaalsContact O-CB 3.3Å; R187-Q191 WeakPolarHBondContact O-CB 3.41Å; R187-Q191 PolarHBondContact O-N 3.06Å; R187-L203 HydrophobicContact CG-CB 4.25Å; R187-L203 HydrophobicContact CG-CD1 4.08Å; R187-Y206 HydrophobicContact CB-CD2 4.16Å; R187-Y206 HydrophobicContact CB-CG 3.97Å
188	K	92.4	Very high	91	Very high	144 Å²	144	57.8 Å²	57.8	63%	0.626	31%	0.311	S	S	*	.	H	α-helix	trans	-62.3	-39.7	-178.5	-73.8	177.1	-178.8	179.7	0	111.9	Q184 V185 L186 R192	Q184-K188 WeakPolarHBondContact O-CG 3.39Å; Q184-K188 PolarHBondContact O-N 3.12Å; V185-K188 PolarHBondContact O-N 2.83Å; L186-K188 PolarHBondContact O-N 3.3Å; K188-R192 WeakPolarHBondContact O-CB 3.33Å; K188-R192 PolarHBondContact O-N 3.26Å; K188-R192 VanDerWaalsContact O-N 3.15Å
189	V	92.9	Very high	91	Very high	19 Å²	19	60.9 Å²	60.9	12%	0.115	32%	0.322	C	S	.	.	H	α-helix	trans	-67.9	-47.1	179.1	176.7	0	0	0	0	110.9	F76 I81 V185 L186 R187 R192 A193	F76-V189 HydrophobicContact CD1-CG1 4.24Å; F76-V189 HydrophobicContact CE1-CB 4.23Å; F76-V189 HydrophobicContact CE1-CG1 4.24Å; F76-V189 WeakPolarHBondContact O-CG1 3.45Å; I81-V189 HydrophobicContact CD1-CG1 4.12Å; V185-V189 HydrophobicContact CG1-CG2 4.46Å; V185-V189 WeakPolarHBondContact O-CG2 3.41Å; V185-V189 PolarHBondContact O-N 3.42Å; L186-V189 PolarHBondContact O-N 3.36Å; R187-V189 VanDerWaalsContact C-N 3.3Å; R187-V189 PolarHBondContact O-N 3.05Å; V189-R192 PolarHBondContact O-N 3.32Å; V189-A193 VanDerWaalsContact O-CB 3.23Å; V189-A193 WeakPolarHBondContact O-CB 3.5Å; V189-A193 PolarHBondContact O-N 3.35Å
190	A	93.8	Very high	90.9	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-61.4	-45.3	176.4	0	0	0	0	0	111.8	F76 F86 L186 R187 R192 A193 L194 L203	F76-A190 HydrophobicContact CZ-CB 4.04Å; F86-A190 HydrophobicContact CD2-CB 4.43Å; F86-A190 HydrophobicContact CE2-CB 3.71Å; F86-A190 HydrophobicContact CZ-CB 4.05Å; L186-A190 WeakPolarHBondContact O-CB 3.3Å; L186-A190 PolarHBondContact O-N 2.9Å; R187-A190 PolarHBondContact O-N 3.27Å; A190-R192 VanDerWaalsContact C-N 3.34Å; A190-R192 PolarHBondContact O-N 2.86Å; A190-A193 PolarHBondContact O-N 3.47Å; A190-L194 VanDerWaalsContact O-CB 3.29Å; A190-L194 WeakPolarHBondContact O-CB 3.4Å; A190-L194 WeakPolarHBondContact O-CG 3.47Å; A190-L194 PolarHBondContact O-N 2.84Å; A190-L203 HydrophobicContact CB-CD2 3.68Å
191	Q	95.9	Very high	91.1	Very high	53 Å²	53	63.2 Å²	63.2	25%	0.248	33%	0.333	C	S	.	.	H	α-helix	trans	-55.4	-49.3	178.1	-173.9	176.1	49.4	0	0	111.8	R187 K195 L196 P197 L203	R187-Q191 VanDerWaalsContact O-CB 3.3Å; R187-Q191 WeakPolarHBondContact O-CB 3.41Å; R187-Q191 PolarHBondContact O-N 3.06Å; Q191-K195 WeakPolarHBondContact O-CA 3.19Å; Q191-K195 PolarHBondContact O-N 3.11Å; Q191-K195 VanDerWaalsContact O-N 3.09Å; Q191-L196 HydrophobicContact CG-CB 4.45Å; Q191-L196 PolarHBondContact O-N 3.45Å; Q191-P197 PolarHBondContact NE2-O 3.43Å; Q191-L203 HydrophobicContact CB-CD1 3.6Å; Q191-L203 HydrophobicContact CG-CD1 4.26Å
192	R	94.5	Very high	91.8	Very high	178 Å²	178	59.7 Å²	59.7	67%	0.672	31%	0.308	S	S	*	.	H	α-helix	trans	-67.3	-48.4	179.1	-175	-173.4	68.4	171.6	0.5	112	K188 V189 A190 L194	K188-R192 WeakPolarHBondContact O-CB 3.33Å; K188-R192 PolarHBondContact O-N 3.26Å; K188-R192 VanDerWaalsContact O-N 3.15Å; V189-R192 PolarHBondContact O-N 3.32Å; A190-R192 VanDerWaalsContact C-N 3.34Å; A190-R192 PolarHBondContact O-N 2.86Å; R192-L194 PolarHBondContact O-N 3.27Å
193	A	93.6	Very high	92.7	Very high	33 Å²	33	58.3 Å²	58.3	27%	0.273	29%	0.294	S	S	.	.	H	α-helix	trans	-66.2	-38.1	-174.2	0	0	0	0	0	112.3	G79 I81 V189 A190	G79-A193 WeakPolarHBondContact O-CB 3.48Å; I81-A193 HydrophobicContact CD1-CB 4.35Å; V189-A193 VanDerWaalsContact O-CB 3.23Å; V189-A193 WeakPolarHBondContact O-CB 3.5Å; V189-A193 PolarHBondContact O-N 3.35Å; A190-A193 PolarHBondContact O-N 3.47Å
194	L	93.8	Very high	93.4	Very high	23 Å²	23	60.6 Å²	60.6	12%	0.12	31%	0.305	C	S	.	.	H	α-helix	trans	-99.1	3	-175.4	-56.8	179.8	0	0	0	113.5	I81 K83 F86 A190 R192 L196	I81-L194 HydrophobicContact CB-CD2 4.5Å; I81-L194 HydrophobicContact CG2-CD2 4.28Å; K83-L194 HydrophobicContact CB-CD2 4Å; F86-L194 HydrophobicContact CB-CD1 3.65Å; F86-L194 HydrophobicContact CD1-CD1 3.52Å; F86-L194 HydrophobicContact CD2-CD1 3.85Å; F86-L194 HydrophobicContact CE1-CD1 4.11Å; F86-L194 HydrophobicContact CE2-CD1 4.4Å; F86-L194 HydrophobicContact CG-CD1 3.37Å; A190-L194 VanDerWaalsContact O-CB 3.29Å; A190-L194 WeakPolarHBondContact O-CB 3.4Å; A190-L194 WeakPolarHBondContact O-CG 3.47Å; A190-L194 PolarHBondContact O-N 2.84Å; R192-L194 PolarHBondContact O-N 3.27Å; L194-L196 HydrophobicContact CB-CD1 4.02Å; L194-L196 HydrophobicContact CB-CG 3.84Å; L194-L196 HydrophobicContact CD1-CD1 4.18Å; L194-L196 PolarHBondContact O-N 3.33Å
195	K	94.8	Very high	94	Very high	159 Å²	159	56.1 Å²	56.1	69%	0.691	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	41.5	-177.8	-55.2	176.1	-175.8	170.4	0	112.3	Q191	Q191-K195 WeakPolarHBondContact O-CA 3.19Å; Q191-K195 PolarHBondContact O-N 3.11Å; Q191-K195 VanDerWaalsContact O-N 3.09Å
196	L	95.6	Very high	94.4	Very high	12 Å²	12	53 Å²	53	6%	0.063	26%	0.263	C	S	.	.			trans	-75.6	152.5	179.6	-65.4	170	0	0	0	110.8	Y134 F135 Q191 L194 L203	Y134-L196 HydrophobicContact CE1-CD2 3.57Å; F135-L196 HydrophobicContact CE1-CD2 3.98Å; F135-L196 HydrophobicContact CZ-CD1 4.18Å; F135-L196 HydrophobicContact CZ-CD2 4.18Å; Q191-L196 HydrophobicContact CG-CB 4.45Å; Q191-L196 PolarHBondContact O-N 3.45Å; L194-L196 HydrophobicContact CB-CD1 4.02Å; L194-L196 HydrophobicContact CB-CG 3.84Å; L194-L196 HydrophobicContact CD1-CD1 4.18Å; L194-L196 PolarHBondContact O-N 3.33Å; L196-L203 HydrophobicContact CB-CD1 4.32Å; L196-L203 HydrophobicContact CD1-CD1 3.83Å; L196-L203 HydrophobicContact CD1-CD2 3.78Å; L196-L203 HydrophobicContact CD1-CG 3.64Å
197	P	94.8	Very high	94.6	Very high	32 Å²	32	53.4 Å²	53.4	21%	0.208	26%	0.263	C	S	.	.			trans	-63.4	151.5	-174.4	27.4	-36.7	0	0	0	112.4	Y134 Q191 T199 G200 E201	Y134-P197 HydrophobicContact CE2-CG 4.38Å; Y134-P197 VanDerWaalsContact OH-CD 3.26Å; Y134-P197 WeakPolarHBondContact OH-CD 3.36Å; Q191-P197 PolarHBondContact NE2-O 3.43Å; P197-T199 WeakPolarHBondContact CB-OG1 3.38Å; P197-T199 PolarHBondContact O-N 3.42Å; P197-G200 PolarHBondContact O-N 2.97Å; P197-E201 HydrophobicContact CG-CB 4.09Å; P197-E201 VanDerWaalsContact CG-OE2 3.26Å; P197-E201 WeakPolarHBondContact CG-OE2 3.5Å
198	P	91.7	Very high	94.8	Very high	115 Å²	115	52.6 Å²	52.6	75%	0.747	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-21.7	178.2	28.2	-34.5	0	0	0	113	G200	P198-G200 VanDerWaalsContact C-N 3.28Å; P198-G200 PolarHBondContact O-N 3.34Å
199	T	92.1	Very high	94.8	Very high	103 Å²	103	51.2 Å²	51.2	63%	0.632	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-20.9	-179.7	33	0	0	0	0	113.5	P197 E201	P197-T199 WeakPolarHBondContact CB-OG1 3.38Å; P197-T199 PolarHBondContact O-N 3.42Å; T199-E201 WeakPolarHBondContact CB-OE2 3.23Å; T199-E201 VanDerWaalsContact OG1-CD 3.24Å; T199-E201 PolarHBondContact OG1-OE1 3.38Å; T199-E201 PolarHBondContact OG1-OE2 3.15Å
200	G	92.7	Very high	95	Very high	2 Å²	2	52.9 Å²	52.9	2%	0.021	28%	0.276	C	S	.	.			trans	109.1	-4.6	168.2	0	0	0	0	0	115.9	P197 P198 G202 L203	P197-G200 PolarHBondContact O-N 2.97Å; P198-G200 VanDerWaalsContact C-N 3.28Å; P198-G200 PolarHBondContact O-N 3.34Å; G200-G202 PolarHBondContact O-N 2.88Å; G200-L203 CarbonylContact O-C 3.5Å; G200-L203 PolarHBondContact O-N 3.03Å
201	E	95.7	Very high	95.1	Very high	77 Å²	77	53.9 Å²	53.9	36%	0.36	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	134.3	178.5	-55.1	91.6	144.9	0	0	111.2	Y134 P197 T199 L203	Y134-E201 HydrophobicContact CD2-CB 3.46Å; Y134-E201 VanDerWaalsContact CD2-CB 3.46Å; Y134-E201 HydrophobicContact CD2-CG 4.47Å; Y134-E201 HydrophobicContact CE2-CB 3.61Å; Y134-E201 HydrophobicContact CG-CB 4.21Å; P197-E201 HydrophobicContact CG-CB 4.09Å; P197-E201 VanDerWaalsContact CG-OE2 3.26Å; P197-E201 WeakPolarHBondContact CG-OE2 3.5Å; T199-E201 WeakPolarHBondContact CB-OE2 3.23Å; T199-E201 VanDerWaalsContact OG1-CD 3.24Å; T199-E201 PolarHBondContact OG1-OE1 3.38Å; T199-E201 PolarHBondContact OG1-OE2 3.15Å; E201-L203 VanDerWaalsContact C-N 3.31Å
202	G	96.9	Very high	95	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.01	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.6	4.9	-173.9	0	0	0	0	0	114.5	D131 F135 G200	D131-G202 VanDerWaalsContact OD1-CA 3.23Å; D131-G202 WeakPolarHBondContact OD1-CA 3.38Å; D131-G202 PolarHBondContact OD1-N 2.99Å; F135-G202 WeakPolarHBondContact CE2-O 3.36Å; F135-G202 WeakPolarHBondContact CZ-O 3.38Å; G200-G202 PolarHBondContact O-N 2.88Å
203	L	97.4	Very high	95	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.298	C	S	.	.			trans	-138.7	19.9	175.9	-62.7	173.6	0	0	0	113.2	F86 D131 R187 A190 Q191 L196 G200 E201 F205 Y206	F86-L203 HydrophobicContact CE1-CD2 4.2Å; F86-L203 HydrophobicContact CZ-CD2 3.62Å; D131-L203 PolarHBondContact OD1-N 2.89Å; R187-L203 HydrophobicContact CG-CB 4.25Å; R187-L203 HydrophobicContact CG-CD1 4.08Å; A190-L203 HydrophobicContact CB-CD2 3.68Å; Q191-L203 HydrophobicContact CB-CD1 3.6Å; Q191-L203 HydrophobicContact CG-CD1 4.26Å; L196-L203 HydrophobicContact CB-CD1 4.32Å; L196-L203 HydrophobicContact CD1-CD1 3.83Å; L196-L203 HydrophobicContact CD1-CD2 3.78Å; L196-L203 HydrophobicContact CD1-CG 3.64Å; G200-L203 CarbonylContact O-C 3.5Å; G200-L203 PolarHBondContact O-N 3.03Å; E201-L203 VanDerWaalsContact C-N 3.31Å; L203-F205 PolarHBondContact O-N 3.25Å; L203-Y206 HydrophobicContact CB-CD2 4.24Å; L203-Y206 HydrophobicContact CD2-CD2 3.96Å; L203-Y206 HydrophobicContact CD2-CE2 3.88Å; L203-Y206 PolarHBondContact O-N 2.82Å
204	E	97.6	Very high	95	Very high	48 Å²	48	55 Å²	55	22%	0.224	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-63.8	-29.2	-178.9	-67.6	-158.3	-125	0	0	112.5	A127 R130 D131 Y206 Q207	A127-E204 HydrophobicContact CB-CB 4.06Å; R130-E204 WeakPolarHBondContact CB-OE1 3.18Å; R130-E204 WeakPolarHBondContact CD-OE1 3.41Å; R130-E204 IonicContact CZ-OE2 3.4Å; R130-E204 IonicContact NE-OE1 2.87Å; R130-E204 PolarHBondContact NE-OE1 3.41Å; R130-E204 IonicContact NE-OE2 2.73Å; R130-E204 PolarHBondContact NE-OE2 3.44Å; R130-E204 IonicContact NH2-OE2 3.86Å; R130-E204 PolarHBondContact NH2-OE2 2.68Å; D131-E204 VanDerWaalsContact CG-N 3.35Å; D131-E204 WeakPolarHBondContact OD1-CB 3.3Å; D131-E204 PolarHBondContact OD1-N 3.11Å; D131-E204 PolarHBondContact OD2-N 3.39Å; D131-E204 VanDerWaalsContact OD2-N 3.14Å; E204-Y206 PolarHBondContact O-N 3.01Å; E204-Y206 VanDerWaalsContact O-N 3.11Å; E204-Q207 WeakPolarHBondContact O-CB 3.42Å; E204-Q207 PolarHBondContact O-N 3.46Å
205	F	98.1	Very high	95	Very high	6 Å²	6	60.9 Å²	60.9	3%	0.026	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-48.5	-39.7	172	168.8	-106	0	0	0	112.7	L93 Y97 R124 L128 D131 D179 L203 Q207	L93-F205 HydrophobicContact CD1-CD1 4.24Å; L93-F205 HydrophobicContact CD1-CE1 3.94Å; L93-F205 HydrophobicContact CD1-CE2 4.45Å; L93-F205 HydrophobicContact CD1-CZ 4.05Å; L93-F205 HydrophobicContact CD2-CZ 4.31Å; Y97-F205 HydrophobicContact CD2-CE2 4.4Å; Y97-F205 HydrophobicContact CE1-CE2 4.21Å; Y97-F205 AromaticContact CE2-CE2 3.84Å; Y97-F205 HydrophobicContact CE2-CE2 3.84Å; Y97-F205 HydrophobicContact CE2-CZ 4.2Å; Y97-F205 AromaticContact CZ-CE2 3.71Å; R124-F205 HydrophobicContact CB-CD2 3.91Å; R124-F205 HydrophobicContact CB-CE2 4.04Å; R124-F205 WeakPolarHBondContact CD-O 3.36Å; R124-F205 HydrophobicContact CG-CD2 3.93Å; R124-F205 HydrophobicContact CG-CE2 3.75Å; R124-F205 PolarHBondContact NH1-O 3.39Å; L128-F205 HydrophobicContact CD1-CD2 3.75Å; L128-F205 HydrophobicContact CD1-CE2 4.1Å; L128-F205 HydrophobicContact CD2-CB 3.86Å; L128-F205 HydrophobicContact CD2-CD2 3.63Å; L128-F205 HydrophobicContact CD2-CE2 4.41Å; L128-F205 HydrophobicContact CD2-CG 3.86Å; L128-F205 HydrophobicContact CG-CB 4.18Å; L128-F205 HydrophobicContact CG-CD2 3.62Å; L128-F205 HydrophobicContact CG-CE2 4.44Å; L128-F205 HydrophobicContact CG-CG 4.23Å; D131-F205 VanDerWaalsContact OD2-CB 3.32Å; D131-F205 WeakPolarHBondContact OD2-CB 3.48Å; D131-F205 PolarHBondContact OD2-N 3.14Å; D179-F205 WeakPolarHBondContact OD1-CZ 3.48Å; L203-F205 PolarHBondContact O-N 3.25Å; F205-Q207 VanDerWaalsContact C-N 3.26Å; F205-Q207 PolarHBondContact O-N 3.19Å
206	Y	95.9	Very high	95.1	Very high	19 Å²	19	55.7 Å²	55.7	8%	0.075	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-84.2	5.8	-178.3	-56.5	-74.6	0	0	0	113.7	F86 G183 Q184 L186 R187 L203 E204	F86-Y206 HydrophobicContact CE2-CE2 4.5Å; F86-Y206 HydrophobicContact CZ-CE2 4.17Å; G183-Y206 WeakPolarHBondContact O-CD1 3.08Å; Q184-Y206 PolarHBondContact NE2-O 3.28Å; L186-Y206 HydrophobicContact CB-CD1 4.39Å; L186-Y206 HydrophobicContact CB-CE1 3.82Å; L186-Y206 HydrophobicContact CD1-CE1 4.21Å; R187-Y206 HydrophobicContact CB-CD2 4.16Å; R187-Y206 HydrophobicContact CB-CG 3.97Å; L203-Y206 HydrophobicContact CB-CD2 4.24Å; L203-Y206 HydrophobicContact CD2-CD2 3.96Å; L203-Y206 HydrophobicContact CD2-CE2 3.88Å; L203-Y206 PolarHBondContact O-N 2.82Å; E204-Y206 PolarHBondContact O-N 3.01Å; E204-Y206 VanDerWaalsContact O-N 3.11Å
207	Q	94.1	Very high	95.2	Very high	59 Å²	59	56 Å²	56	28%	0.276	31%	0.313	S	S	.	.			trans	-109.4	122.8	-178	-174	155.6	-22.1	0	0	111.2	R124 E204 F205 D209	R124-Q207 PolarHBondContact NH1-O 2.92Å; E204-Q207 WeakPolarHBondContact O-CB 3.42Å; E204-Q207 PolarHBondContact O-N 3.46Å; F205-Q207 VanDerWaalsContact C-N 3.26Å; F205-Q207 PolarHBondContact O-N 3.19Å; Q207-D209 WeakPolarHBondContact CG-OD1 3.48Å; Q207-D209 PolarHBondContact NE2-OD1 3.06Å
208	F	95.9	Very high	95.3	Very high	22 Å²	22	56.1 Å²	56.1	10%	0.096	31%	0.311	C	S	.	.			trans	-117.4	77.7	-177.7	-67.2	-99.9	0	0	0	109.4	E121 L122 R124 D179 L180 A210 I211	E121-F208 WeakPolarHBondContact O-CD1 3.29Å; L122-F208 HydrophobicContact CD2-CE1 4.29Å; R124-F208 VanDerWaalsContact CZ-CD1 3.4Å; D179-F208 HydrophobicContact CB-CE2 4.14Å; D179-F208 HydrophobicContact CB-CZ 3.65Å; L180-F208 HydrophobicContact CD2-CD1 3.81Å; L180-F208 HydrophobicContact CD2-CD2 4.02Å; L180-F208 HydrophobicContact CD2-CE1 3.94Å; L180-F208 HydrophobicContact CD2-CE2 4.14Å; L180-F208 HydrophobicContact CD2-CG 3.87Å; L180-F208 HydrophobicContact CD2-CZ 4.11Å; F208-A210 VanDerWaalsContact C-N 3.27Å; F208-A210 PolarHBondContact O-N 3.03Å; F208-I211 HydrophobicContact CB-CB 4Å; F208-I211 HydrophobicContact CB-CD1 4.04Å; F208-I211 HydrophobicContact CB-CG1 4.2Å; F208-I211 HydrophobicContact CD1-CD1 3.81Å; F208-I211 HydrophobicContact CG-CD1 4.26Å; F208-I211 PolarHBondContact O-N 3.31Å
209	D	93.4	Very high	95.5	Very high	115 Å²	115	55.5 Å²	55.5	62%	0.615	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-31.3	-170.7	-68.5	-34.2	0	0	0	113.8	Q207 I211	Q207-D209 WeakPolarHBondContact CG-OD1 3.48Å; Q207-D209 PolarHBondContact NE2-OD1 3.06Å; D209-I211 VanDerWaalsContact C-N 3.25Å; D209-I211 PolarHBondContact O-N 3.33Å
210	A	96.7	Very high	95.8	Very high	53 Å²	53	53.8 Å²	53.8	44%	0.438	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	1.6	176.4	0	0	0	0	0	113.6	A120 E121 F208	A120-A210 WeakPolarHBondContact O-CB 3.49Å; E121-A210 HydrophobicContact CG-CB 4.13Å; F208-A210 VanDerWaalsContact C-N 3.27Å; F208-A210 PolarHBondContact O-N 3.03Å
211	I	96.4	Very high	96	Very high	21 Å²	21	53.8 Å²	53.8	11%	0.108	28%	0.284	C	S	.	.			trans	-115.6	104.2	178.5	-59.5	178.8	0	0	0	110.4	E121 L122 L180 F208 D209 F217	E121-I211 HydrophobicContact CB-CD1 4.02Å; E121-I211 HydrophobicContact CB-CG1 3.8Å; E121-I211 HydrophobicContact CG-CG1 4.31Å; L122-I211 HydrophobicContact CD2-CD1 4.06Å; L180-I211 HydrophobicContact CD1-CD1 4.27Å; L180-I211 HydrophobicContact CD2-CD1 3.81Å; F208-I211 HydrophobicContact CB-CB 4Å; F208-I211 HydrophobicContact CB-CD1 4.04Å; F208-I211 HydrophobicContact CB-CG1 4.2Å; F208-I211 HydrophobicContact CD1-CD1 3.81Å; F208-I211 HydrophobicContact CG-CD1 4.26Å; F208-I211 PolarHBondContact O-N 3.31Å; D209-I211 VanDerWaalsContact C-N 3.25Å; D209-I211 PolarHBondContact O-N 3.33Å; I211-F217 HydrophobicContact CD1-CB 4.48Å; I211-F217 HydrophobicContact CD1-CD1 3.79Å; I211-F217 HydrophobicContact CD1-CD2 4.13Å; I211-F217 HydrophobicContact CD1-CE1 4.02Å; I211-F217 HydrophobicContact CD1-CE2 4.34Å; I211-F217 HydrophobicContact CD1-CG 3.85Å; I211-F217 HydrophobicContact CD1-CZ 4.28Å; I211-F217 HydrophobicContact CG1-CD2 4.02Å; I211-F217 HydrophobicContact CG1-CE2 4.32Å; I211-F217 HydrophobicContact CG1-CG 4.14Å; I211-F217 HydrophobicContact CG2-CB 3.68Å; I211-F217 HydrophobicContact CG2-CD2 4.41Å; I211-F217 HydrophobicContact CG2-CG 4.08Å
212	H	93.4	Very high	96	Very high	190 Å²	190	53.7 Å²	53.7	88%	0.88	28%	0.28	S	S	*	.	S	Bend	trans	-71.5	-34.2	177.3	-61	-48.2	0	0	0	113.9
213	S	95.1	Very high	96	Very high	58 Å²	58	56.5 Å²	56.5	41%	0.406	30%	0.299	S	S	.	.			trans	-137.5	105.5	-179.6	174.3	0	0	0	0	110.4	K215 A216 F217	S213-K215 PolarHBondContact O-N 3.21Å; S213-A216 PolarHBondContact O-N 2.89Å; S213-A216 PolarHBondContact OG-N 3.38Å; S213-F217 WeakPolarHBondContact O-CB 3.4Å; S213-F217 PolarHBondContact O-N 2.78Å
214	A	93.3	Very high	96	Very high	40 Å²	40	61 Å²	61	33%	0.331	32%	0.316	S	S	.	.	H	α-helix	trans	-58.1	-32.9	176.7	0	0	0	0	0	112.2	L180 K218	L180-A214 HydrophobicContact CD2-CB 4.44Å; A214-K218 WeakPolarHBondContact O-CB 3.26Å; A214-K218 WeakPolarHBondContact O-CE 3.49Å; A214-K218 VanDerWaalsContact O-CG 3.25Å; A214-K218 WeakPolarHBondContact O-CG 3.46Å; A214-K218 PolarHBondContact O-N 3.29Å
215	K	94.1	Very high	96	Very high	147 Å²	147	58.7 Å²	58.7	64%	0.639	31%	0.306	S	S	*	.	H	α-helix	trans	-64.6	-52.5	175.6	-177.2	-177.5	176.4	-175.8	0	111.1	S213 F217 K218 Q219	S213-K215 PolarHBondContact O-N 3.21Å; K215-F217 VanDerWaalsContact C-N 3.34Å; K215-F217 PolarHBondContact O-N 3.05Å; K215-K218 PolarHBondContact O-N 3.37Å; K215-Q219 WeakPolarHBondContact O-CG 3.46Å; K215-Q219 PolarHBondContact O-N 2.65Å; K215-Q219 VanDerWaalsContact O-N 3.14Å
216	A	96.6	Very high	95.9	Very high	49 Å²	49	60.4 Å²	60.4	41%	0.405	32%	0.315	S	S	.	.	H	α-helix	trans	-64.1	-41	-178.6	0	0	0	0	0	111.3	S213 K218 Q219 L220	S213-A216 PolarHBondContact O-N 2.89Å; S213-A216 PolarHBondContact OG-N 3.38Å; A216-K218 PolarHBondContact O-N 3.2Å; A216-Q219 WeakPolarHBondContact O-CB 3.43Å; A216-Q219 PolarHBondContact O-N 3.39Å; A216-Q219 VanDerWaalsContact O-N 3.15Å; A216-L220 PolarHBondContact O-N 3.28Å
217	F	97.8	Very high	95.8	Very high	19 Å²	19	64.3 Å²	64.3	8%	0.083	33%	0.334	C	S	.	.	H	α-helix	trans	-65.5	-40.1	178.7	-166	-86.2	0	0	0	112.4	F118 E121 L122 L180 I211 S213 K215 Q219 L220 Y221	F118-F217 HydrophobicContact CB-CZ 4Å; F118-F217 HydrophobicContact CD1-CE2 4.24Å; F118-F217 HydrophobicContact CD1-CZ 4.01Å; F118-F217 HydrophobicContact CD2-CZ 4.29Å; F118-F217 AromaticContact CG-CZ 3.85Å; F118-F217 HydrophobicContact CG-CZ 3.85Å; E121-F217 HydrophobicContact CB-CE2 3.69Å; E121-F217 HydrophobicContact CB-CZ 3.66Å; E121-F217 HydrophobicContact CG-CE2 3.72Å; E121-F217 HydrophobicContact CG-CZ 4.17Å; L122-F217 HydrophobicContact CD1-CE1 3.94Å; L122-F217 HydrophobicContact CD1-CZ 4.29Å; L122-F217 HydrophobicContact CD2-CD1 4.37Å; L122-F217 HydrophobicContact CD2-CE1 3.64Å; L122-F217 HydrophobicContact CD2-CZ 4.29Å; L122-F217 HydrophobicContact CG-CE1 3.8Å; L122-F217 HydrophobicContact CG-CZ 4.04Å; L180-F217 HydrophobicContact CD1-CD1 3.71Å; L180-F217 HydrophobicContact CD1-CE1 4.32Å; I211-F217 HydrophobicContact CD1-CB 4.48Å; I211-F217 HydrophobicContact CD1-CD1 3.79Å; I211-F217 HydrophobicContact CD1-CD2 4.13Å; I211-F217 HydrophobicContact CD1-CE1 4.02Å; I211-F217 HydrophobicContact CD1-CE2 4.34Å; I211-F217 HydrophobicContact CD1-CG 3.85Å; I211-F217 HydrophobicContact CD1-CZ 4.28Å; I211-F217 HydrophobicContact CG1-CD2 4.02Å; I211-F217 HydrophobicContact CG1-CE2 4.32Å; I211-F217 HydrophobicContact CG1-CG 4.14Å; I211-F217 HydrophobicContact CG2-CB 3.68Å; I211-F217 HydrophobicContact CG2-CD2 4.41Å; I211-F217 HydrophobicContact CG2-CG 4.08Å; S213-F217 WeakPolarHBondContact O-CB 3.4Å; S213-F217 PolarHBondContact O-N 2.78Å; K215-F217 VanDerWaalsContact C-N 3.34Å; K215-F217 PolarHBondContact O-N 3.05Å; F217-Q219 VanDerWaalsContact C-N 3.28Å; F217-Q219 PolarHBondContact O-N 3.02Å; F217-L220 HydrophobicContact CD2-CD2 4.42Å; F217-L220 HydrophobicContact CE2-CD2 4.43Å; F217-L220 WeakPolarHBondContact O-CB 3.35Å; F217-L220 PolarHBondContact O-N 3.28Å; F217-Y221 HydrophobicContact CE1-CD2 4.3Å; F217-Y221 WeakPolarHBondContact O-CB 3.48Å; F217-Y221 PolarHBondContact O-N 3.42Å
218	K	95.8	Very high	95.8	Very high	35 Å²	35	62 Å²	62	15%	0.152	32%	0.324	C	S	.	.	H	α-helix	trans	-64.1	-32.4	173.2	-74	-173.6	-61.2	-160.7	0	112.8	M177 L180 S181 A214 K215 A216 R222	M177-K218 HydrophobicContact SD-CB 4.3Å; M177-K218 HydrophobicContact SD-CG 3.87Å; L180-K218 HydrophobicContact CB-CD 3.78Å; L180-K218 HydrophobicContact CB-CG 3.87Å; L180-K218 HydrophobicContact CD1-CG 3.93Å; L180-K218 PolarHBondContact O-NZ 3.05Å; S181-K218 PolarHBondContact OG-NZ 2.87Å; A214-K218 WeakPolarHBondContact O-CB 3.26Å; A214-K218 WeakPolarHBondContact O-CE 3.49Å; A214-K218 VanDerWaalsContact O-CG 3.25Å; A214-K218 WeakPolarHBondContact O-CG 3.46Å; A214-K218 PolarHBondContact O-N 3.29Å; K215-K218 PolarHBondContact O-N 3.37Å; A216-K218 PolarHBondContact O-N 3.2Å; K218-R222 VanDerWaalsContact O-CG 3.32Å; K218-R222 WeakPolarHBondContact O-CG 3.35Å; K218-R222 PolarHBondContact O-N 3.02Å; K218-R222 VanDerWaalsContact O-N 3.12Å
219	Q	96.4	Very high	95.7	Very high	101 Å²	101	68.8 Å²	68.8	47%	0.472	36%	0.361	S	S	.	.	H	α-helix	trans	-69.3	-44.8	173.9	-71.5	173.2	-44.1	0	0	110.8	K215 A216 F217 Y221 R222 S223	K215-Q219 WeakPolarHBondContact O-CG 3.46Å; K215-Q219 PolarHBondContact O-N 2.65Å; K215-Q219 VanDerWaalsContact O-N 3.14Å; A216-Q219 WeakPolarHBondContact O-CB 3.43Å; A216-Q219 PolarHBondContact O-N 3.39Å; A216-Q219 VanDerWaalsContact O-N 3.15Å; F217-Q219 VanDerWaalsContact C-N 3.28Å; F217-Q219 PolarHBondContact O-N 3.02Å; Q219-Y221 PolarHBondContact O-N 3.47Å; Q219-R222 PolarHBondContact O-N 2.85Å; Q219-S223 PolarHBondContact O-N 3.1Å
220	L	97.7	Very high	95.8	Very high	68 Å²	68	64.1 Å²	64.1	36%	0.356	34%	0.336	S	S	.	.	H	α-helix	trans	-56.4	-50.2	172.9	173.8	63.8	0	0	0	111.4	F118 A216 F217 R222 S223 R224	F118-L220 HydrophobicContact CE1-CD2 4.36Å; F118-L220 HydrophobicContact CZ-CD2 4.42Å; A216-L220 PolarHBondContact O-N 3.28Å; F217-L220 HydrophobicContact CD2-CD2 4.42Å; F217-L220 HydrophobicContact CE2-CD2 4.43Å; F217-L220 WeakPolarHBondContact O-CB 3.35Å; F217-L220 PolarHBondContact O-N 3.28Å; L220-R222 VanDerWaalsContact C-N 3.32Å; L220-R222 PolarHBondContact O-N 3.07Å; L220-S223 WeakPolarHBondContact O-CB 3.35Å; L220-S223 PolarHBondContact O-N 3.09Å; L220-S223 VanDerWaalsContact O-N 3.11Å; L220-R224 HydrophobicContact CD1-CG 4.29Å; L220-R224 WeakPolarHBondContact O-CG 3.21Å; L220-R224 PolarHBondContact O-N 2.99Å
221	Y	97.9	Very high	95.7	Very high	1 Å²	1	66.3 Å²	66.3	0%	0.004	34%	0.34	C	S	.	.	H	α-helix	trans	-60.1	-42.1	-179.2	-164.6	-83.6	0	0	0	111.8	L116 F118 L122 A172 M177 F217 Q219 R224 M225	L116-Y221 HydrophobicContact CB-CE2 4.28Å; L116-Y221 HydrophobicContact CD1-CE1 4.42Å; L116-Y221 HydrophobicContact CD2-CD1 4.44Å; L116-Y221 HydrophobicContact CD2-CE1 4.14Å; L116-Y221 HydrophobicContact CD2-CE2 4.24Å; F118-Y221 HydrophobicContact CD2-CD2 4.11Å; F118-Y221 HydrophobicContact CD2-CE2 4.28Å; F118-Y221 HydrophobicContact CE2-CD2 4.3Å; L122-Y221 HydrophobicContact CD1-CD2 3.88Å; L122-Y221 HydrophobicContact CD1-CE2 3.55Å; A172-Y221 WeakPolarHBondContact CB-OH 3.3Å; M177-Y221 HydrophobicContact CE-CD1 3.54Å; M177-Y221 HydrophobicContact CE-CD2 3.77Å; M177-Y221 HydrophobicContact CE-CE1 4Å; M177-Y221 HydrophobicContact CE-CE2 4.2Å; M177-Y221 HydrophobicContact CE-CG 3.4Å; M177-Y221 VanDerWaalsContact CE-CG 3.4Å; M177-Y221 HydrophobicContact CG-CD1 4.27Å; M177-Y221 HydrophobicContact CG-CE1 4.46Å; M177-Y221 HydrophobicContact SD-CD1 3.71Å; M177-Y221 HydrophobicContact SD-CE1 4.41Å; M177-Y221 HydrophobicContact SD-CG 3.96Å; F217-Y221 HydrophobicContact CE1-CD2 4.3Å; F217-Y221 WeakPolarHBondContact O-CB 3.48Å; F217-Y221 PolarHBondContact O-N 3.42Å; Q219-Y221 PolarHBondContact O-N 3.47Å; Y221-R224 PolarHBondContact O-N 2.9Å; Y221-M225 HydrophobicContact CD1-CE 4.1Å; Y221-M225 HydrophobicContact CD1-CG 4.03Å; Y221-M225 HydrophobicContact CD1-SD 3.98Å; Y221-M225 HydrophobicContact CE1-CE 4.37Å; Y221-M225 HydrophobicContact CE1-CG 3.88Å; Y221-M225 HydrophobicContact CE1-SD 3.68Å; Y221-M225 WeakPolarHBondContact O-CG 3.24Å; Y221-M225 PolarHBondContact O-N 2.86Å
222	R	96.6	Very high	95.7	Very high	75 Å²	75	68.7 Å²	68.7	28%	0.283	36%	0.356	S	S	.	.	H	α-helix	trans	-60.8	-44.8	173	-74.8	-175.9	-178.3	98.7	-2.4	112.3	K218 Q219 L220 R224 M225 N226	K218-R222 VanDerWaalsContact O-CG 3.32Å; K218-R222 WeakPolarHBondContact O-CG 3.35Å; K218-R222 PolarHBondContact O-N 3.02Å; K218-R222 VanDerWaalsContact O-N 3.12Å; Q219-R222 PolarHBondContact O-N 2.85Å; L220-R222 VanDerWaalsContact C-N 3.32Å; L220-R222 PolarHBondContact O-N 3.07Å; R222-R224 VanDerWaalsContact C-N 3.32Å; R222-R224 PolarHBondContact O-N 2.67Å; R222-M225 HydrophobicContact CB-CE 4.39Å; R222-M225 HydrophobicContact CG-CE 3.98Å; R222-M225 PolarHBondContact O-N 3.01Å; R222-N226 VanDerWaalsContact O-CG 3.25Å; R222-N226 PolarHBondContact O-N 3.35Å; R222-N226 VanDerWaalsContact O-N 3.08Å; R222-N226 PolarHBondContact O-ND2 2.82Å
223	S	96.8	Very high	95.8	Very high	60 Å²	60	62.5 Å²	62.5	42%	0.42	34%	0.337	S	S	.	.	H	α-helix	trans	-57.3	-46	175.4	-168.4	0	0	0	0	111.4	Q219 L220 M225 N226 E227	Q219-S223 PolarHBondContact O-N 3.1Å; L220-S223 WeakPolarHBondContact O-CB 3.35Å; L220-S223 PolarHBondContact O-N 3.09Å; L220-S223 VanDerWaalsContact O-N 3.11Å; S223-M225 PolarHBondContact O-N 3.34Å; S223-N226 PolarHBondContact O-N 3.09Å; S223-N226 VanDerWaalsContact O-N 3.1Å; S223-E227 WeakPolarHBondContact O-CG 3.2Å; S223-E227 PolarHBondContact O-N 2.72Å; S223-E227 VanDerWaalsContact O-N 3.14Å
224	R	97.5	Very high	95.9	Very high	94 Å²	94	60.8 Å²	60.8	36%	0.355	32%	0.324	S	S	.	.	H	α-helix	trans	-64.4	-36.5	178.2	-65.1	-56.3	-174.4	-172.5	-0.2	113.5	P115 L116 F118 L220 Y221 R222 N226 E227	P115-R224 HydrophobicContact CB-CB 4.4Å; P115-R224 WeakPolarHBondContact O-CB 3.4Å; L116-R224 HydrophobicContact CD2-CB 3.65Å; F118-R224 HydrophobicContact CE2-CG 4.25Å; F118-R224 HydrophobicContact CZ-CG 4.06Å; L220-R224 HydrophobicContact CD1-CG 4.29Å; L220-R224 WeakPolarHBondContact O-CG 3.21Å; L220-R224 PolarHBondContact O-N 2.99Å; Y221-R224 PolarHBondContact O-N 2.9Å; R222-R224 VanDerWaalsContact C-N 3.32Å; R222-R224 PolarHBondContact O-N 2.67Å; R224-N226 VanDerWaalsContact C-N 3.27Å; R224-N226 PolarHBondContact O-N 3.12Å; R224-E227 VanDerWaalsContact CD-OE2 3.3Å; R224-E227 WeakPolarHBondContact CD-OE2 3.18Å; R224-E227 IonicContact CZ-OE2 3.75Å; R224-E227 IonicContact NE-OE2 3.96Å; R224-E227 IonicContact NH1-OE1 3.4Å; R224-E227 PolarHBondContact NH1-OE1 3.16Å; R224-E227 IonicContact NH1-OE2 2.76Å; R224-E227 PolarHBondContact NH1-OE2 3.05Å; R224-E227 PolarHBondContact O-N 2.73Å
225	M	96.5	Very high	96.1	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-63.5	-36.5	172.9	-72.2	-169.4	-58.3	0	0	111.7	L52 L56 L116 V169 Y173 Y221 R222 S223 E227 L228	L52-M225 HydrophobicContact CD2-CB 4.27Å; L56-M225 HydrophobicContact CD1-CE 4.49Å; L56-M225 HydrophobicContact CD1-SD 3.99Å; L116-M225 HydrophobicContact CD1-CG 3.84Å; L116-M225 HydrophobicContact CD2-CB 4.42Å; L116-M225 HydrophobicContact CD2-CG 3.6Å; L116-M225 HydrophobicContact CG-CG 4.38Å; V169-M225 HydrophobicContact CG1-CG 4.46Å; V169-M225 HydrophobicContact CG1-SD 4.36Å; Y173-M225 HydrophobicContact CD2-CE 3.62Å; Y173-M225 HydrophobicContact CD2-SD 3.7Å; Y173-M225 HydrophobicContact CE2-CE 3.92Å; Y173-M225 HydrophobicContact CG-SD 4.28Å; Y221-M225 HydrophobicContact CD1-CE 4.1Å; Y221-M225 HydrophobicContact CD1-CG 4.03Å; Y221-M225 HydrophobicContact CD1-SD 3.98Å; Y221-M225 HydrophobicContact CE1-CE 4.37Å; Y221-M225 HydrophobicContact CE1-CG 3.88Å; Y221-M225 HydrophobicContact CE1-SD 3.68Å; Y221-M225 WeakPolarHBondContact O-CG 3.24Å; Y221-M225 PolarHBondContact O-N 2.86Å; R222-M225 HydrophobicContact CB-CE 4.39Å; R222-M225 HydrophobicContact CG-CE 3.98Å; R222-M225 PolarHBondContact O-N 3.01Å; S223-M225 PolarHBondContact O-N 3.34Å; M225-E227 VanDerWaalsContact C-N 3.28Å; M225-E227 PolarHBondContact O-N 3.27Å; M225-L228 WeakPolarHBondContact O-CB 3.38Å; M225-L228 WeakPolarHBondContact O-CG 3.47Å; M225-L228 PolarHBondContact O-N 3.34Å
226	N	96.3	Very high	96.3	Very high	42 Å²	42	58 Å²	58	23%	0.225	31%	0.305	C	S	.	.	H	α-helix	trans	-76	-16.9	-179.5	-63.1	-14.9	0	0	0	112.9	L52 S53 R222 S223 R224 L228	L52-N226 PolarHBondContact N-OD1 3.46Å; S53-N226 WeakPolarHBondContact CB-OD1 3.4Å; S53-N226 PolarHBondContact N-OD1 2.92Å; S53-N226 PolarHBondContact OG-ND2 3.04Å; S53-N226 PolarHBondContact OG-OD1 2.97Å; R222-N226 VanDerWaalsContact O-CG 3.25Å; R222-N226 PolarHBondContact O-N 3.35Å; R222-N226 VanDerWaalsContact O-N 3.08Å; R222-N226 PolarHBondContact O-ND2 2.82Å; S223-N226 PolarHBondContact O-N 3.09Å; S223-N226 VanDerWaalsContact O-N 3.1Å; R224-N226 VanDerWaalsContact C-N 3.27Å; R224-N226 PolarHBondContact O-N 3.12Å; N226-L228 VanDerWaalsContact C-N 3.29Å
227	E	94	Very high	96.3	Very high	101 Å²	101	60.9 Å²	60.9	47%	0.472	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-10.5	173	-71.9	166.7	-160	0	0	113.3	S223 R224 M225 D229	S223-E227 WeakPolarHBondContact O-CG 3.2Å; S223-E227 PolarHBondContact O-N 2.72Å; S223-E227 VanDerWaalsContact O-N 3.14Å; R224-E227 VanDerWaalsContact CD-OE2 3.3Å; R224-E227 WeakPolarHBondContact CD-OE2 3.18Å; R224-E227 IonicContact CZ-OE2 3.75Å; R224-E227 IonicContact NE-OE2 3.96Å; R224-E227 IonicContact NH1-OE1 3.4Å; R224-E227 PolarHBondContact NH1-OE1 3.16Å; R224-E227 IonicContact NH1-OE2 2.76Å; R224-E227 PolarHBondContact NH1-OE2 3.05Å; R224-E227 PolarHBondContact O-N 2.73Å; M225-E227 VanDerWaalsContact C-N 3.28Å; M225-E227 PolarHBondContact O-N 3.27Å; E227-D229 PolarHBondContact O-N 2.92Å
228	L	94.4	Very high	96.3	Very high	11 Å²	11	60 Å²	60	6%	0.058	30%	0.304	C	S	.	.	S	Bend	trans	-68.9	121.1	177.2	-63.3	174.2	0	0	0	110.6	L52 Q112 P115 L116 V169 M225 N226 L230	L52-L228 HydrophobicContact CD2-CD1 4.17Å; Q112-L228 WeakPolarHBondContact O-CD2 3.16Å; P115-L228 HydrophobicContact CB-CD2 4.33Å; P115-L228 HydrophobicContact CG-CD2 3.81Å; L116-L228 HydrophobicContact CD1-CD1 4.34Å; V169-L228 HydrophobicContact CG1-CD1 4.35Å; V169-L228 HydrophobicContact CG2-CD1 4.01Å; M225-L228 WeakPolarHBondContact O-CB 3.38Å; M225-L228 WeakPolarHBondContact O-CG 3.47Å; M225-L228 PolarHBondContact O-N 3.34Å; N226-L228 VanDerWaalsContact C-N 3.29Å; L228-L230 HydrophobicContact CB-CD1 3.83Å; L228-L230 HydrophobicContact CB-CG 3.82Å; L228-L230 HydrophobicContact CD1-CD1 4.24Å; L228-L230 PolarHBondContact O-N 3.35Å
229	D	93	Very high	96.5	Very high	163 Å²	163	59.4 Å²	59.4	87%	0.872	30%	0.303	S	S	*	.			trans	-74	89.6	176.3	-172.1	19.4	0	0	0	110.5	E227	E227-D229 PolarHBondContact O-N 2.92Å
230	L	95.3	Very high	96.6	Very high	17 Å²	17	58.8 Å²	58.8	9%	0.089	30%	0.301	C	S	.	.			trans	-129.5	134.9	-174	-57.7	177.7	0	0	0	111.1	L52 Q112 V166 L228 T234 K235 L238	L52-L230 HydrophobicContact CD2-CD1 4.02Å; Q112-L230 HydrophobicContact CG-CD2 4.38Å; V166-L230 HydrophobicContact CG2-CD1 4.16Å; V166-L230 HydrophobicContact CG2-CD2 3.7Å; L228-L230 HydrophobicContact CB-CD1 3.83Å; L228-L230 HydrophobicContact CB-CG 3.82Å; L228-L230 HydrophobicContact CD1-CD1 4.24Å; L228-L230 PolarHBondContact O-N 3.35Å; L230-T234 HydrophobicContact CD2-CG2 4.02Å; L230-K235 HydrophobicContact CB-CG 4.09Å; L230-K235 WeakPolarHBondContact O-CE 3.5Å; L230-L238 HydrophobicContact CD1-CD1 3.56Å
231	D	95.4	Very high	96.6	Very high	99 Å²	99	55.6 Å²	55.6	53%	0.529	28%	0.284	S	S	.	.			trans	-69.6	161	169.7	70.7	22	0	0	0	112	A233 T234 K235	D231-A233 PolarHBondContact O-N 3.18Å; D231-A233 PolarHBondContact OD1-N 3.36Å; D231-T234 PolarHBondContact O-N 3.18Å; D231-T234 VanDerWaalsContact O-N 3.16Å; D231-T234 WeakPolarHBondContact OD1-CB 3.33Å; D231-T234 PolarHBondContact OD1-N 3Å; D231-T234 PolarHBondContact OD1-OG1 2.92Å; D231-K235 WeakPolarHBondContact O-CG 3.4Å; D231-K235 PolarHBondContact O-N 3.38Å
232	V	94.9	Very high	96.6	Very high	72 Å²	72	55.6 Å²	55.6	44%	0.436	28%	0.284	S	S	.	.	H	α-helix	trans	-60.2	-31.4	-178.9	176.1	0	0	0	0	111.9	K236	V232-K236 HydrophobicContact CG1-CD 4.42Å; V232-K236 WeakPolarHBondContact O-CG 3.39Å; V232-K236 PolarHBondContact O-N 3.4Å
233	A	96.6	Very high	96.7	Very high	59 Å²	59	53.5 Å²	53.5	49%	0.488	28%	0.28	S	S	.	.	H	α-helix	trans	-67	-41.4	178.7	0	0	0	0	0	111.5	D231 K236 K237	D231-A233 PolarHBondContact O-N 3.18Å; D231-A233 PolarHBondContact OD1-N 3.36Å; A233-K236 PolarHBondContact O-N 3.03Å; A233-K237 WeakPolarHBondContact O-CG 3.4Å; A233-K237 PolarHBondContact O-N 3.09Å
234	T	97.1	Very high	96.8	Very high	23 Å²	23	54.8 Å²	54.8	14%	0.141	28%	0.278	C	S	.	.	H	α-helix	trans	-69.6	-41.6	177.6	-55.1	0	0	0	0	110.9	V166 L230 D231 K236 K237 L238	V166-T234 HydrophobicContact CG1-CG2 3.96Å; V166-T234 HydrophobicContact CG2-CG2 3.9Å; L230-T234 HydrophobicContact CD2-CG2 4.02Å; D231-T234 PolarHBondContact O-N 3.18Å; D231-T234 VanDerWaalsContact O-N 3.16Å; D231-T234 WeakPolarHBondContact OD1-CB 3.33Å; D231-T234 PolarHBondContact OD1-N 3Å; D231-T234 PolarHBondContact OD1-OG1 2.92Å; T234-K236 VanDerWaalsContact C-N 3.29Å; T234-K236 PolarHBondContact O-N 3.32Å; T234-K237 WeakPolarHBondContact O-CB 3.28Å; T234-K237 PolarHBondContact O-N 3.03Å; T234-L238 PolarHBondContact O-N 2.96Å
235	K	97.8	Very high	96.8	Very high	33 Å²	33	50.3 Å²	50.3	14%	0.143	26%	0.261	C	S	.	.	H	α-helix	trans	-57.8	-40.8	171.7	-66.7	-179.5	179.2	-179.1	0	112.1	E50 L52 M55 L230 D231 L238 V239	E50-K235 PolarHBondContact O-NZ 3.39Å; L52-K235 HydrophobicContact CD1-CB 4.31Å; L52-K235 HydrophobicContact CD1-CG 4.26Å; M55-K235 HydrophobicContact CE-CB 3.87Å; M55-K235 HydrophobicContact SD-CB 3.8Å; M55-K235 HydrophobicContact SD-CD 3.86Å; M55-K235 HydrophobicContact SD-CG 4.44Å; L230-K235 HydrophobicContact CB-CG 4.09Å; L230-K235 WeakPolarHBondContact O-CE 3.5Å; D231-K235 WeakPolarHBondContact O-CG 3.4Å; D231-K235 PolarHBondContact O-N 3.38Å; K235-L238 WeakPolarHBondContact O-CB 3.44Å; K235-L238 PolarHBondContact O-N 3.39Å; K235-V239 WeakPolarHBondContact O-CG2 3.49Å; K235-V239 PolarHBondContact O-N 2.92Å; K235-V239 VanDerWaalsContact O-N 3.09Å
236	K	97.5	Very high	96.7	Very high	95 Å²	95	51.5 Å²	51.5	41%	0.413	27%	0.266	S	S	.	.	H	α-helix	trans	-64.1	-44.7	174.8	-74.5	174.8	179.2	-179.5	0	112.3	M55 V232 A233 T234 L238 V239 E240	M55-K236 HydrophobicContact CE-CG 4.12Å; V232-K236 HydrophobicContact CG1-CD 4.42Å; V232-K236 WeakPolarHBondContact O-CG 3.39Å; V232-K236 PolarHBondContact O-N 3.4Å; A233-K236 PolarHBondContact O-N 3.03Å; T234-K236 VanDerWaalsContact C-N 3.29Å; T234-K236 PolarHBondContact O-N 3.32Å; K236-L238 VanDerWaalsContact C-N 3.28Å; K236-L238 PolarHBondContact O-N 3.3Å; K236-V239 PolarHBondContact O-N 3.31Å; K236-E240 WeakPolarHBondContact O-CG 3.45Å; K236-E240 PolarHBondContact O-N 3.34Å
237	K	98	Very high	96.8	Very high	110 Å²	110	53.1 Å²	53.1	48%	0.478	27%	0.272	S	S	.	.	H	α-helix	trans	-58.8	-40	174.7	-69.9	176.9	179.9	179.4	0	112.1	L167 A233 T234 E240 E241	L167-K237 HydrophobicContact CD2-CB 4.03Å; A233-K237 WeakPolarHBondContact O-CG 3.4Å; A233-K237 PolarHBondContact O-N 3.09Å; T234-K237 WeakPolarHBondContact O-CB 3.28Å; T234-K237 PolarHBondContact O-N 3.03Å; K237-E240 PolarHBondContact O-N 3.45Å; K237-E241 WeakPolarHBondContact O-CB 3.26Å; K237-E241 PolarHBondContact O-N 3.47Å
238	L	98.1	Very high	96.9	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.9	-43.7	175.1	-85	165.9	0	0	0	112.6	L52 V166 L167 V169 A170 L230 T234 K235 K236 E241 A242	L52-L238 HydrophobicContact CD1-CB 4.08Å; L52-L238 HydrophobicContact CD1-CD1 3.76Å; L52-L238 HydrophobicContact CD2-CD1 3.8Å; L52-L238 HydrophobicContact CG-CD1 4.46Å; V166-L238 HydrophobicContact CG2-CD1 4.17Å; V166-L238 VanDerWaalsContact O-CD2 3.32Å; V166-L238 WeakPolarHBondContact O-CD2 3.13Å; L167-L238 HydrophobicContact CD2-CD2 4.24Å; L167-L238 HydrophobicContact CD2-CG 4.27Å; V169-L238 HydrophobicContact CB-CD2 3.85Å; V169-L238 HydrophobicContact CG1-CD2 4.35Å; A170-L238 HydrophobicContact CB-CD2 3.99Å; A170-L238 WeakPolarHBondContact CB-O 3.34Å; L230-L238 HydrophobicContact CD1-CD1 3.56Å; T234-L238 PolarHBondContact O-N 2.96Å; K235-L238 WeakPolarHBondContact O-CB 3.44Å; K235-L238 PolarHBondContact O-N 3.39Å; K236-L238 VanDerWaalsContact C-N 3.28Å; K236-L238 PolarHBondContact O-N 3.3Å; L238-E241 PolarHBondContact O-N 2.78Å; L238-A242 WeakPolarHBondContact O-CB 3.44Å; L238-A242 PolarHBondContact O-N 3.04Å
239	V	98.3	Very high	96.9	Very high	22 Å²	22	50.3 Å²	50.3	13%	0.133	26%	0.259	C	S	.	.	H	α-helix	trans	-62.6	-45.5	175.5	174	0	0	0	0	111.1	M55 L56 K235 K236 E241 A242 V243	M55-V239 HydrophobicContact CB-CG2 3.92Å; L56-V239 HydrophobicContact CD2-CG2 4.22Å; L56-V239 HydrophobicContact CG-CG2 4.47Å; K235-V239 WeakPolarHBondContact O-CG2 3.49Å; K235-V239 PolarHBondContact O-N 2.92Å; K235-V239 VanDerWaalsContact O-N 3.09Å; K236-V239 PolarHBondContact O-N 3.31Å; V239-E241 VanDerWaalsContact C-N 3.3Å; V239-E241 PolarHBondContact O-N 2.96Å; V239-A242 PolarHBondContact O-N 2.89Å; V239-V243 WeakPolarHBondContact O-CG2 3.48Å; V239-V243 PolarHBondContact O-N 3.32Å
240	E	98.4	Very high	96.8	Very high	88 Å²	88	43.8 Å²	43.8	41%	0.411	22%	0.223	S	C	.	.	H	α-helix	trans	-60.7	-40.8	175.8	-69.4	-177.7	162.7	0	0	112	Q12 K236 K237 V243 K244	Q12-E240 PolarHBondContact NE2-OE1 3.08Å; K236-E240 WeakPolarHBondContact O-CG 3.45Å; K236-E240 PolarHBondContact O-N 3.34Å; K237-E240 PolarHBondContact O-N 3.45Å; E240-V243 WeakPolarHBondContact O-CB 3.39Å; E240-V243 PolarHBondContact O-N 3.46Å; E240-K244 WeakPolarHBondContact O-CG 3.43Å; E240-K244 PolarHBondContact O-N 3.3Å
241	E	98.7	Very high	96.9	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.009	24%	0.236	C	C	.	.	H	α-helix	trans	-68.5	-37.6	177.3	-163.3	65.6	-162.1	0	0	112.2	R156 L167 A170 H171 K237 L238 V239 V243 K244 A245	R156-E241 IonicContact CZ-OE1 2.71Å; R156-E241 IonicContact CZ-OE2 3.15Å; R156-E241 IonicContact NE-OE1 3.94Å; R156-E241 PolarHBondContact NE-OE1 3.36Å; R156-E241 IonicContact NE-OE2 3.69Å; R156-E241 IonicContact NH2-OE1 3.65Å; R156-E241 PolarHBondContact NH2-OE1 3.37Å; R156-E241 IonicContact NH2-OE2 3.93Å; R156-E241 PolarHBondContact NH2-OE2 3.28Å; L167-E241 HydrophobicContact CB-CG 4.2Å; L167-E241 HydrophobicContact CD1-CG 4.47Å; L167-E241 HydrophobicContact CD2-CB 4.28Å; A170-E241 HydrophobicContact CB-CB 3.85Å; A170-E241 HydrophobicContact CB-CG 4.1Å; H171-E241 IonicContact NE2-OE1 2.91Å; H171-E241 PolarHBondContact NE2-OE1 2.92Å; K237-E241 WeakPolarHBondContact O-CB 3.26Å; K237-E241 PolarHBondContact O-N 3.47Å; L238-E241 PolarHBondContact O-N 2.78Å; V239-E241 VanDerWaalsContact C-N 3.3Å; V239-E241 PolarHBondContact O-N 2.96Å; E241-V243 VanDerWaalsContact C-N 3.31Å; E241-V243 PolarHBondContact O-N 3.38Å; E241-K244 CarbonylContact O-C 2.97Å; E241-K244 WeakPolarHBondContact O-CB 3.44Å; E241-K244 PolarHBondContact O-N 3.49Å; E241-K244 VanDerWaalsContact O-N 3.11Å; E241-K244 WeakPolarHBondContact OE2-CD 3.3Å; E241-K244 IonicContact OE2-NZ 2.65Å; E241-K244 PolarHBondContact OE2-NZ 3.38Å; E241-A245 PolarHBondContact O-N 3.35Å
242	A	98.4	Very high	96.8	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63	-42	175	0	0	0	0	0	110.3	L56 T60 A170 L238 V239 K244 A245 F246	L56-A242 HydrophobicContact CD2-CB 3.55Å; T60-A242 HydrophobicContact CG2-CB 3.64Å; A170-A242 HydrophobicContact CB-CB 3.98Å; L238-A242 WeakPolarHBondContact O-CB 3.44Å; L238-A242 PolarHBondContact O-N 3.04Å; V239-A242 PolarHBondContact O-N 2.89Å; A242-K244 VanDerWaalsContact C-N 3.32Å; A242-K244 PolarHBondContact O-N 3.19Å; A242-A245 WeakPolarHBondContact O-CB 3.48Å; A242-A245 PolarHBondContact O-N 3.48Å; A242-A245 VanDerWaalsContact O-N 3.14Å; A242-F246 VanDerWaalsContact O-CD2 3.3Å; A242-F246 WeakPolarHBondContact O-CD2 3.37Å; A242-F246 PolarHBondContact O-N 3.03Å
243	V	98.2	Very high	96.6	Very high	32 Å²	32	41.2 Å²	41.2	19%	0.194	20%	0.203	C	C	.	.	H	α-helix	trans	-58.7	-42.4	172.3	169.7	0	0	0	0	111.5	T60 V63 V239 E240 E241 F246 H247	T60-V243 HydrophobicContact CG2-CG2 4.26Å; V63-V243 HydrophobicContact CG1-CG1 4.04Å; V63-V243 HydrophobicContact CG2-CG2 4.23Å; V239-V243 WeakPolarHBondContact O-CG2 3.48Å; V239-V243 PolarHBondContact O-N 3.32Å; E240-V243 WeakPolarHBondContact O-CB 3.39Å; E240-V243 PolarHBondContact O-N 3.46Å; E241-V243 VanDerWaalsContact C-N 3.31Å; E241-V243 PolarHBondContact O-N 3.38Å; V243-F246 WeakPolarHBondContact O-CB 3.42Å; V243-F246 PolarHBondContact O-N 3.24Å; V243-H247 PolarHBondContact O-CD2 2.97Å; V243-H247 PolarHBondContact O-N 3.34Å
244	K	98.2	Very high	96.4	Very high	87 Å²	87	43.3 Å²	43.3	38%	0.378	20%	0.203	S	C	.	.	H	α-helix	trans	-62.7	-42.1	173.1	-66.9	179.8	-154.2	152.6	0	112.3	E240 E241 A242 F246 H247 F248	E240-K244 WeakPolarHBondContact O-CG 3.43Å; E240-K244 PolarHBondContact O-N 3.3Å; E241-K244 CarbonylContact O-C 2.97Å; E241-K244 WeakPolarHBondContact O-CB 3.44Å; E241-K244 PolarHBondContact O-N 3.49Å; E241-K244 VanDerWaalsContact O-N 3.11Å; E241-K244 WeakPolarHBondContact OE2-CD 3.3Å; E241-K244 IonicContact OE2-NZ 2.65Å; E241-K244 PolarHBondContact OE2-NZ 3.38Å; A242-K244 VanDerWaalsContact C-N 3.32Å; A242-K244 PolarHBondContact O-N 3.19Å; K244-F246 VanDerWaalsContact C-N 3.28Å; K244-F246 PolarHBondContact O-N 3.38Å; K244-H247 WeakPolarHBondContact O-CA 3.43Å; K244-H247 WeakPolarHBondContact O-CB 3.43Å; K244-H247 PolarHBondContact O-N 3.12Å; K244-F248 HydrophobicContact CB-CE2 4.39Å; K244-F248 WeakPolarHBondContact O-CD2 3.32Å; K244-F248 PolarHBondContact O-N 3.31Å
245	A	98.1	Very high	96.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-57.4	-42.4	175.2	0	0	0	0	0	111.1	Y153 T174 E241 A242 H247 F248 N249	Y153-A245 HydrophobicContact CE2-CB 4.36Å; T174-A245 HydrophobicContact CG2-CB 4.01Å; E241-A245 PolarHBondContact O-N 3.35Å; A242-A245 WeakPolarHBondContact O-CB 3.48Å; A242-A245 PolarHBondContact O-N 3.48Å; A242-A245 VanDerWaalsContact O-N 3.14Å; A245-H247 PolarHBondContact O-N 3.32Å; A245-F248 PolarHBondContact O-N 3.46Å; A245-N249 PolarHBondContact O-N 2.99Å; A245-N249 VanDerWaalsContact O-N 3.15Å; A245-N249 PolarHBondContact O-ND2 3.45Å
246	F	95.3	Very high	96	Very high	25 Å²	25	43.1 Å²	43.1	11%	0.11	20%	0.2	C	C	.	.	H	α-helix	trans	-60.1	-42.2	171.9	-86.5	-84.2	0	0	0	112.6	T60 V63 H64 A67 T174 A242 V243 K244 N249 M250	T60-F246 HydrophobicContact CG2-CD2 3.97Å; T60-F246 HydrophobicContact CG2-CE2 3.78Å; V63-F246 HydrophobicContact CB-CB 3.94Å; V63-F246 HydrophobicContact CB-CG 4.29Å; V63-F246 HydrophobicContact CG2-CB 3.68Å; V63-F246 HydrophobicContact CG2-CD1 4.33Å; V63-F246 HydrophobicContact CG2-CD2 3.86Å; V63-F246 HydrophobicContact CG2-CG 3.7Å; H64-F246 HydrophobicContact CB-CE1 4.02Å; H64-F246 HydrophobicContact CB-CZ 4.23Å; H64-F246 AromaticContact CD2-CE1 3.98Å; A67-F246 HydrophobicContact CB-CD1 4.48Å; T174-F246 HydrophobicContact CG2-CD2 3.79Å; T174-F246 HydrophobicContact CG2-CE1 4.46Å; T174-F246 HydrophobicContact CG2-CE2 3.69Å; T174-F246 HydrophobicContact CG2-CG 4.21Å; T174-F246 HydrophobicContact CG2-CZ 4.05Å; A242-F246 VanDerWaalsContact O-CD2 3.3Å; A242-F246 WeakPolarHBondContact O-CD2 3.37Å; A242-F246 PolarHBondContact O-N 3.03Å; V243-F246 WeakPolarHBondContact O-CB 3.42Å; V243-F246 PolarHBondContact O-N 3.24Å; K244-F246 VanDerWaalsContact C-N 3.28Å; K244-F246 PolarHBondContact O-N 3.38Å; F246-N249 WeakPolarHBondContact O-CB 3.44Å; F246-N249 PolarHBondContact O-N 3.49Å; F246-M250 WeakPolarHBondContact O-CG 3.43Å; F246-M250 PolarHBondContact O-N 3.06Å
247	H	96.4	Very high	95.6	Very high	77 Å²	77	41.3 Å²	41.3	36%	0.356	19%	0.194	S	C	.	.	H	α-helix	trans	-61.8	-44.2	176.8	-72.8	-54.6	0	0	0	112.8	V243 K244 A245 N249 M250 E251	V243-H247 PolarHBondContact O-CD2 2.97Å; V243-H247 PolarHBondContact O-N 3.34Å; K244-H247 WeakPolarHBondContact O-CA 3.43Å; K244-H247 WeakPolarHBondContact O-CB 3.43Å; K244-H247 PolarHBondContact O-N 3.12Å; A245-H247 PolarHBondContact O-N 3.32Å; H247-N249 VanDerWaalsContact C-N 3.28Å; H247-N249 PolarHBondContact O-N 3.26Å; H247-M250 WeakPolarHBondContact O-CB 3.49Å; H247-M250 PolarHBondContact O-N 3.48Å; H247-E251 WeakPolarHBondContact O-CG 3.36Å; H247-E251 PolarHBondContact O-N 3.49Å
248	F	97.7	Very high	95.3	Very high	36 Å²	36	41.2 Å²	41.2	16%	0.158	20%	0.195	C	C	.	.	H	α-helix	trans	-58.6	-40.1	173.8	-74.1	-64.1	0	0	0	112.5	Q152 Y153 R156 K244 A245 M250 E251 V252	Q152-F248 HydrophobicContact CB-CE1 4.23Å; Y153-F248 HydrophobicContact CD1-CB 3.99Å; Y153-F248 HydrophobicContact CD2-CB 3.38Å; Y153-F248 HydrophobicContact CD2-CD1 4.23Å; Y153-F248 AromaticContact CD2-CD2 3.52Å; Y153-F248 HydrophobicContact CD2-CD2 3.52Å; Y153-F248 HydrophobicContact CD2-CE2 4.36Å; Y153-F248 AromaticContact CD2-CG 3.44Å; Y153-F248 HydrophobicContact CD2-CG 3.44Å; Y153-F248 VanDerWaalsContact CD2-CG 3.44Å; Y153-F248 HydrophobicContact CE1-CB 4.41Å; Y153-F248 HydrophobicContact CE2-CB 3.83Å; Y153-F248 AromaticContact CE2-CD2 3.86Å; Y153-F248 HydrophobicContact CE2-CD2 3.86Å; Y153-F248 HydrophobicContact CE2-CG 4.09Å; Y153-F248 HydrophobicContact CG-CB 3.47Å; Y153-F248 VanDerWaalsContact CG-CB 3.47Å; Y153-F248 HydrophobicContact CG-CD1 4.42Å; Y153-F248 HydrophobicContact CG-CD2 4.4Å; Y153-F248 AromaticContact CG-CG 3.88Å; Y153-F248 HydrophobicContact CG-CG 3.88Å; R156-F248 HydrophobicContact CB-CE2 3.83Å; R156-F248 HydrophobicContact CB-CZ 3.74Å; R156-F248 HydrophobicContact CG-CE2 3.67Å; R156-F248 HydrophobicContact CG-CZ 3.96Å; K244-F248 HydrophobicContact CB-CE2 4.39Å; K244-F248 WeakPolarHBondContact O-CD2 3.32Å; K244-F248 PolarHBondContact O-N 3.31Å; A245-F248 PolarHBondContact O-N 3.46Å; F248-M250 VanDerWaalsContact C-N 3.33Å; F248-M250 PolarHBondContact O-N 2.83Å; F248-E251 PolarHBondContact O-N 3.18Å; F248-V252 WeakPolarHBondContact O-CG2 3.35Å; F248-V252 PolarHBondContact O-N 2.92Å
249	N	93.3	Very high	94.9	Very high	17 Å²	17	44 Å²	44	9%	0.091	21%	0.209	C	C	.	.	H	α-helix	trans	-63.7	-39.8	175.2	-76.2	-87	0	0	0	111.8	R175 A245 F246 H247 V252 F253	R175-N249 PolarHBondContact NH1-OD1 3.34Å; A245-N249 PolarHBondContact O-N 2.99Å; A245-N249 VanDerWaalsContact O-N 3.15Å; A245-N249 PolarHBondContact O-ND2 3.45Å; F246-N249 WeakPolarHBondContact O-CB 3.44Å; F246-N249 PolarHBondContact O-N 3.49Å; H247-N249 VanDerWaalsContact C-N 3.28Å; H247-N249 PolarHBondContact O-N 3.26Å; N249-V252 PolarHBondContact O-N 3.22Å; N249-F253 HydrophobicContact CB-CE2 4.32Å; N249-F253 WeakPolarHBondContact O-CD2 3.41Å; N249-F253 VanDerWaalsContact O-CG 3.24Å; N249-F253 WeakPolarHBondContact O-CG 3.25Å; N249-F253 PolarHBondContact O-N 3.38Å
250	M	92.4	Very high	94.3	Very high	26 Å²	26	43 Å²	43	13%	0.128	20%	0.203	C	C	.	.	H	α-helix	trans	-64.1	-44	175.5	-68.9	179.6	63.3	0	0	111.7	K66 A67 F246 H247 F248 V252 F253 E254	K66-M250 HydrophobicContact CB-CE 4.34Å; K66-M250 HydrophobicContact CB-SD 4.49Å; A67-M250 HydrophobicContact CB-CG 4.25Å; F246-M250 WeakPolarHBondContact O-CG 3.43Å; F246-M250 PolarHBondContact O-N 3.06Å; H247-M250 WeakPolarHBondContact O-CB 3.49Å; H247-M250 PolarHBondContact O-N 3.48Å; F248-M250 VanDerWaalsContact C-N 3.33Å; F248-M250 PolarHBondContact O-N 2.83Å; M250-V252 VanDerWaalsContact C-N 3.31Å; M250-V252 PolarHBondContact O-N 3.25Å; M250-F253 PolarHBondContact O-N 3.38Å; M250-F253 VanDerWaalsContact O-N 3.09Å; M250-E254 WeakPolarHBondContact O-CB 3.5Å; M250-E254 VanDerWaalsContact O-CG 3.31Å; M250-E254 WeakPolarHBondContact O-CG 3.35Å; M250-E254 PolarHBondContact O-N 2.91Å
251	E	95.4	Very high	93.8	Very high	77 Å²	77	44.8 Å²	44.8	36%	0.36	21%	0.209	S	C	.	.	H	α-helix	trans	-59.9	-40.8	176.8	-71.1	171.4	-179.3	0	0	111.7	A149 H247 F248 E254 E255	A149-E251 HydrophobicContact CB-CB 4.41Å; H247-E251 WeakPolarHBondContact O-CG 3.36Å; H247-E251 PolarHBondContact O-N 3.49Å; F248-E251 PolarHBondContact O-N 3.18Å; E251-E254 PolarHBondContact O-N 3.22Å; E251-E255 WeakPolarHBondContact O-CB 3.34Å; E251-E255 PolarHBondContact O-N 3.43Å
252	V	94.8	Very high	93.2	Very high	10 Å²	10	49.9 Å²	49.9	6%	0.061	24%	0.241	C	C	.	.	H	α-helix	trans	-62.7	-44	172.8	170.9	0	0	0	0	111.3	A92 A149 F248 N249 M250 E254 E255 L256	A92-V252 HydrophobicContact CB-CG1 3.81Å; A149-V252 HydrophobicContact CB-CG2 4.03Å; F248-V252 WeakPolarHBondContact O-CG2 3.35Å; F248-V252 PolarHBondContact O-N 2.92Å; N249-V252 PolarHBondContact O-N 3.22Å; M250-V252 VanDerWaalsContact C-N 3.31Å; M250-V252 PolarHBondContact O-N 3.25Å; V252-E254 VanDerWaalsContact C-N 3.35Å; V252-E254 PolarHBondContact O-N 3.22Å; V252-E255 PolarHBondContact O-N 2.93Å; V252-L256 HydrophobicContact CG1-CD1 4.04Å; V252-L256 HydrophobicContact CG1-CG 4.47Å; V252-L256 WeakPolarHBondContact O-CB 3.36Å; V252-L256 VanDerWaalsContact O-CG 3.24Å; V252-L256 WeakPolarHBondContact O-CG 3.48Å; V252-L256 PolarHBondContact O-N 3.34Å
253	F	91.1	Very high	92.4	Very high	47 Å²	47	51.8 Å²	51.8	21%	0.206	25%	0.251	C	S	.	.	H	α-helix	trans	-65.1	-38.3	177.4	-62.8	-35.7	0	0	0	112.8	F72 N249 M250 L256 E257	F72-F253 HydrophobicContact CD1-CB 4.29Å; F72-F253 AromaticContact CD1-CD1 3.86Å; F72-F253 HydrophobicContact CD1-CD1 3.86Å; F72-F253 HydrophobicContact CD1-CE1 4.46Å; F72-F253 HydrophobicContact CD1-CG 4.14Å; F72-F253 AromaticContact CE1-CD1 3.8Å; F72-F253 HydrophobicContact CE1-CD1 3.8Å; F72-F253 HydrophobicContact CE1-CE1 4.14Å; F72-F253 HydrophobicContact CG-CB 4.48Å; N249-F253 HydrophobicContact CB-CE2 4.32Å; N249-F253 WeakPolarHBondContact O-CD2 3.41Å; N249-F253 VanDerWaalsContact O-CG 3.24Å; N249-F253 WeakPolarHBondContact O-CG 3.25Å; N249-F253 PolarHBondContact O-N 3.38Å; M250-F253 PolarHBondContact O-N 3.38Å; M250-F253 VanDerWaalsContact O-N 3.09Å; F253-L256 PolarHBondContact O-N 3.46Å; F253-E257 WeakPolarHBondContact O-CB 3.4Å; F253-E257 PolarHBondContact O-N 2.87Å
254	E	92.3	Very high	90.8	Very high	103 Å²	103	59 Å²	59	48%	0.481	28%	0.282	S	S	.	.	H	α-helix	trans	-64.7	-45.5	176	-72.7	170.7	-171.2	0	0	111.1	M250 E251 V252 L256 E257 E258	M250-E254 WeakPolarHBondContact O-CB 3.5Å; M250-E254 VanDerWaalsContact O-CG 3.31Å; M250-E254 WeakPolarHBondContact O-CG 3.35Å; M250-E254 PolarHBondContact O-N 2.91Å; E251-E254 PolarHBondContact O-N 3.22Å; V252-E254 VanDerWaalsContact C-N 3.35Å; V252-E254 PolarHBondContact O-N 3.22Å; E254-L256 PolarHBondContact O-N 3.32Å; E254-E257 WeakPolarHBondContact O-CB 3.28Å; E254-E257 PolarHBondContact O-N 3.39Å; E254-E258 WeakPolarHBondContact O-CG 3.34Å; E254-E258 PolarHBondContact O-N 3.03Å
255	E	93.8	Very high	88.9	Confident	45 Å²	45	62 Å²	62	21%	0.21	30%	0.298	C	S	.	.	H	α-helix	trans	-60.3	-44.7	175.2	-172.9	-171.8	-127.7	0	0	111.6	S147 Q148 A149 E251 V252 E257 E258 I259	S147-E255 WeakPolarHBondContact CB-OE2 3.42Å; S147-E255 PolarHBondContact OG-OE2 3.05Å; Q148-E255 PolarHBondContact N-OE1 3.15Å; Q148-E255 VanDerWaalsContact N-OE1 3.12Å; A149-E255 HydrophobicContact CB-CB 4.01Å; A149-E255 HydrophobicContact CB-CG 4.41Å; A149-E255 WeakPolarHBondContact CB-OE2 2.96Å; A149-E255 PolarHBondContact N-OE1 2.85Å; A149-E255 VanDerWaalsContact N-OE1 3.12Å; E251-E255 WeakPolarHBondContact O-CB 3.34Å; E251-E255 PolarHBondContact O-N 3.43Å; V252-E255 PolarHBondContact O-N 2.93Å; E255-E257 VanDerWaalsContact C-N 3.35Å; E255-E257 PolarHBondContact O-N 3.42Å; E255-E258 PolarHBondContact O-N 2.91Å; E255-I259 HydrophobicContact CG-CD1 4.08Å; E255-I259 VanDerWaalsContact O-CG1 3.31Å; E255-I259 WeakPolarHBondContact O-CG1 3.47Å; E255-I259 PolarHBondContact O-N 3.45Å
256	L	90.8	Very high	86.5	Confident	6 Å²	6	69.4 Å²	69.4	3%	0.031	34%	0.337	C	S	.	.	H	α-helix	trans	-62.3	-41	175.1	-72.4	174.7	0	0	0	111.7	F72 L85 L88 V252 F253 E254 I259 G260	F72-L256 HydrophobicContact CE2-CB 4.22Å; F72-L256 HydrophobicContact CZ-CD1 4.36Å; L85-L256 HydrophobicContact CD1-CB 3.98Å; L85-L256 HydrophobicContact CD1-CD2 4.19Å; L85-L256 WeakPolarHBondContact CD1-O 3.46Å; L88-L256 HydrophobicContact CB-CD2 3.57Å; V252-L256 HydrophobicContact CG1-CD1 4.04Å; V252-L256 HydrophobicContact CG1-CG 4.47Å; V252-L256 WeakPolarHBondContact O-CB 3.36Å; V252-L256 VanDerWaalsContact O-CG 3.24Å; V252-L256 WeakPolarHBondContact O-CG 3.48Å; V252-L256 PolarHBondContact O-N 3.34Å; F253-L256 PolarHBondContact O-N 3.46Å; E254-L256 PolarHBondContact O-N 3.32Å; L256-I259 PolarHBondContact O-N 3.45Å; L256-G260 PolarHBondContact O-N 3.31Å
257	E	89.6	Confident	83.9	Confident	58 Å²	58	72.6 Å²	72.6	27%	0.271	36%	0.358	S	S	.	.	H	α-helix	trans	-60.7	-44.9	175.8	-174.2	172.2	167.6	0	0	111.4	F253 E254 E255 G260 K261	F253-E257 WeakPolarHBondContact O-CB 3.4Å; F253-E257 PolarHBondContact O-N 2.87Å; E254-E257 WeakPolarHBondContact O-CB 3.28Å; E254-E257 PolarHBondContact O-N 3.39Å; E255-E257 VanDerWaalsContact C-N 3.35Å; E255-E257 PolarHBondContact O-N 3.42Å; E257-G260 WeakPolarHBondContact O-CA 3.4Å; E257-G260 PolarHBondContact O-N 3.08Å; E257-K261 PolarHBondContact O-N 2.76Å; E257-K261 VanDerWaalsContact O-N 3.13Å
258	E	91.4	Very high	81.3	Confident	108 Å²	108	76.1 Å²	76.1	51%	0.505	38%	0.375	S	S	.	.	H	α-helix	trans	-63.9	-47	176.3	-67.4	-52.1	143.1	0	0	112.4	E254 E255 G260 K261	E254-E258 WeakPolarHBondContact O-CG 3.34Å; E254-E258 PolarHBondContact O-N 3.03Å; E255-E258 PolarHBondContact O-N 2.91Å; E258-G260 PolarHBondContact O-N 3.32Å; E258-K261 WeakPolarHBondContact O-CB 3.21Å; E258-K261 PolarHBondContact O-N 3.4Å; E258-K261 VanDerWaalsContact O-N 3.08Å; E258-K261 IonicContact OE1-NZ 2.78Å; E258-K261 PolarHBondContact OE1-NZ 2.87Å; E258-K261 WeakPolarHBondContact OE2-CD 3.45Å; E258-K261 IonicContact OE2-NZ 3.98Å; E258-K261 PolarHBondContact OE2-NZ 3.45Å
259	I	89.7	Confident	78.2	Confident	58 Å²	58	80.5 Å²	80.5	30%	0.297	40%	0.4	S	S	.	.	H	α-helix	trans	-57.7	-43.7	174.2	-67.3	164.2	0	0	0	109.6	L88 E255 L256 K261 T262 I263	L88-I259 HydrophobicContact CD1-CG2 3.63Å; E255-I259 HydrophobicContact CG-CD1 4.08Å; E255-I259 VanDerWaalsContact O-CG1 3.31Å; E255-I259 WeakPolarHBondContact O-CG1 3.47Å; E255-I259 PolarHBondContact O-N 3.45Å; L256-I259 PolarHBondContact O-N 3.45Å; I259-K261 VanDerWaalsContact C-N 3.26Å; I259-K261 PolarHBondContact O-N 3.17Å; I259-T262 PolarHBondContact O-N 3.38Å; I259-T262 PolarHBondContact O-OG1 3.14Å; I259-I263 HydrophobicContact CG2-CD1 4.27Å; I259-I263 HydrophobicContact CG2-CG1 4.48Å; I259-I263 PolarHBondContact O-N 3.05Å
260	G	86.5	Confident	75.7	Confident	0 Å²	0	83.4 Å²	83.4	0%	0	43%	0.426	C	S	.	.	H	α-helix	trans	-50.1	-45.1	175.2	0	0	0	0	0	112.1	R82 L256 E257 E258 T262 I263	R82-G260 PolarHBondContact NH1-O 3.41Å; R82-G260 PolarHBondContact NH2-O 3Å; L256-G260 PolarHBondContact O-N 3.31Å; E257-G260 WeakPolarHBondContact O-CA 3.4Å; E257-G260 PolarHBondContact O-N 3.08Å; E258-G260 PolarHBondContact O-N 3.32Å; G260-T262 PolarHBondContact O-N 3.34Å; G260-I263 PolarHBondContact O-N 3.1Å; G260-I263 VanDerWaalsContact O-N 3.15Å
261	K	87.7	Confident	72.8	Confident	127 Å²	127	84.7 Å²	84.7	55%	0.552	45%	0.446	S	S	*	.	H	α-helix	trans	-59.3	-22.7	-179.2	-64.8	169.9	-166	169.5	0	113.4	E257 E258 I259	E257-K261 PolarHBondContact O-N 2.76Å; E257-K261 VanDerWaalsContact O-N 3.13Å; E258-K261 WeakPolarHBondContact O-CB 3.21Å; E258-K261 PolarHBondContact O-N 3.4Å; E258-K261 VanDerWaalsContact O-N 3.08Å; E258-K261 IonicContact OE1-NZ 2.78Å; E258-K261 PolarHBondContact OE1-NZ 2.87Å; E258-K261 WeakPolarHBondContact OE2-CD 3.45Å; E258-K261 IonicContact OE2-NZ 3.98Å; E258-K261 PolarHBondContact OE2-NZ 3.45Å; I259-K261 VanDerWaalsContact C-N 3.26Å; I259-K261 PolarHBondContact O-N 3.17Å
262	T	86.6	Confident	69.9	Low	108 Å²	108	89.2 Å²	89.2	66%	0.663	47%	0.47	S	S	*	.	H	α-helix	trans	-93	-16.9	-178.4	71.6	0	0	0	0	114.4	I259 G260 Q264	I259-T262 PolarHBondContact O-N 3.38Å; I259-T262 PolarHBondContact O-OG1 3.14Å; G260-T262 PolarHBondContact O-N 3.34Å; T262-Q264 PolarHBondContact O-N 3.42Å; T262-Q264 VanDerWaalsContact O-N 3.12Å
263	I	82	Confident	66.9	Low	41 Å²	41	93.5 Å²	93.5	21%	0.21	50%	0.5	C	S	.	.			trans	-73.1	107	178.9	-62.4	172.2	0	0	0	108.6	R82 E84 L85 L88 I259 G260	R82-I263 PolarHBondContact NH1-O 3.08Å; R82-I263 VanDerWaalsContact NH1-O 3.14Å; E84-I263 HydrophobicContact CB-CD1 4.12Å; E84-I263 HydrophobicContact CB-CG2 4.43Å; L85-I263 HydrophobicContact CB-CD1 4.39Å; L88-I263 HydrophobicContact CD1-CD1 4.48Å; I259-I263 HydrophobicContact CG2-CD1 4.27Å; I259-I263 HydrophobicContact CG2-CG1 4.48Å; I259-I263 PolarHBondContact O-N 3.05Å; G260-I263 PolarHBondContact O-N 3.1Å; G260-I263 VanDerWaalsContact O-N 3.15Å
264	Q	64.6	Low	64.1	Low	182 Å²	182	97.5 Å²	97.5	85%	0.85	53%	0.528	S	S	*	.			trans	-61.2	138.3	171.2	-70.5	-174.4	5.8	0	0	109.6	T262 D266	T262-Q264 PolarHBondContact O-N 3.42Å; T262-Q264 VanDerWaalsContact O-N 3.12Å; Q264-D266 PolarHBondContact O-N 2.93Å
265	E	58.2	Low	61.5	Low	152 Å²	152	101 Å²	101	71%	0.71	54%	0.544	S	S	*	.			trans	-66.1	121	179.6	-63.8	-179.9	136.7	0	0	110	V267	E265-V267 HydrophobicContact CB-CB 4.41Å; E265-V267 HydrophobicContact CB-CG2 3.41Å; E265-V267 VanDerWaalsContact CB-CG2 3.41Å; E265-V267 VanDerWaalsContact CD-CG2 3.47Å; E265-V267 HydrophobicContact CG-CG2 4.03Å; E265-V267 PolarHBondContact O-N 3.11Å; E265-V267 VanDerWaalsContact O-N 3.11Å; E265-V267 WeakPolarHBondContact OE2-CG2 3.42Å
266	D	46.1	Very low	58.6	Low	154 Å²	154	101.7 Å²	101.7	82%	0.824	56%	0.562	S	S	*	*			trans	-71.6	88	133.6	-79.6	-20.3	0	0	0	104.8	Q264 Q268	Q264-D266 PolarHBondContact O-N 2.93Å; D266-Q268 PolarHBondContact O-N 2.97Å
267	V	42.1	Very low	56.2	Low	92 Å²	92	111 Å²	111	56%	0.558	61%	0.606	S	S	*	*			trans	-63.5	86.1	158.1	-174.5	0	0	0	0	103.9	E265 D269	E265-V267 HydrophobicContact CB-CB 4.41Å; E265-V267 HydrophobicContact CB-CG2 3.41Å; E265-V267 VanDerWaalsContact CB-CG2 3.41Å; E265-V267 VanDerWaalsContact CD-CG2 3.47Å; E265-V267 HydrophobicContact CG-CG2 4.03Å; E265-V267 PolarHBondContact O-N 3.11Å; E265-V267 VanDerWaalsContact O-N 3.11Å; E265-V267 WeakPolarHBondContact OE2-CG2 3.42Å; V267-D269 HydrophobicContact CG1-CB 4.31Å; V267-D269 PolarHBondContact O-N 2.92Å
268	Q	41.6	Very low	53.7	Low	151 Å²	151	114.5 Å²	114.5	71%	0.706	63%	0.631	S	S	*	*			trans	-65.3	87.1	149.1	-76.1	-173.6	10.4	0	0	104	D266 A270	D266-Q268 PolarHBondContact O-N 2.97Å; Q268-A270 VanDerWaalsContact C-N 3.33Å; Q268-A270 PolarHBondContact O-N 3.43Å
269	D	33.1	Very low	51.5	Low	129 Å²	129	113.9 Å²	113.9	69%	0.69	65%	0.654	S	S	*	*			trans	-42.8	109.9	165.4	-165.4	11.6	0	0	0	103.7	V267 G271	V267-D269 HydrophobicContact CG1-CB 4.31Å; V267-D269 PolarHBondContact O-N 2.92Å; D269-G271 PolarHBondContact O-N 3.15Å
270	A	40.9	Very low	49.2	Very low	77 Å²	77	113.9 Å²	113.9	64%	0.636	67%	0.669	S	S	*	*			trans	-65.2	82	159.1	0	0	0	0	0	102.4	Q268 M272	Q268-A270 VanDerWaalsContact C-N 3.33Å; Q268-A270 PolarHBondContact O-N 3.43Å; A270-M272 VanDerWaalsContact C-N 3.25Å; A270-M272 PolarHBondContact O-N 3.26Å
271	G	31.7	Very low	47.2	Very low	53 Å²	53	119.6 Å²	119.6	55%	0.546	70%	0.699	S	S	.	*			trans	-51.3	103.5	-179.7	0	0	0	0	0	104.7	D269 S273	D269-G271 PolarHBondContact O-N 3.15Å; G271-S273 PolarHBondContact O-N 3.14Å
272	M	32.8	Very low	45.5	Very low	173 Å²	173	119.1 Å²	119.1	85%	0.852	70%	0.701	S	S	*	*			trans	-55.6	106.3	152.9	-82.7	175.2	159.1	0	0	102.2	A270 V274	A270-M272 VanDerWaalsContact C-N 3.25Å; A270-M272 PolarHBondContact O-N 3.26Å; M272-V274 PolarHBondContact O-N 2.81Å
273	S	32.2	Very low	43.6	Very low	99 Å²	99	118.3 Å²	118.3	69%	0.692	70%	0.7	S	S	*	*			trans	-58	94.1	165.8	53.4	0	0	0	0	105.6	G271 H275	G271-S273 PolarHBondContact O-N 3.14Å; S273-H275 VanDerWaalsContact C-N 3.28Å; S273-H275 PolarHBondContact O-N 3.24Å
274	V	32.2	Very low	42.1	Very low	132 Å²	132	125 Å²	125	80%	0.8	73%	0.728	S	S	*	*			trans	-58.9	102.7	163.6	173.1	0	0	0	0	103.7	M272 G276	M272-V274 PolarHBondContact O-N 2.81Å; V274-G276 PolarHBondContact O-N 3.23Å; V274-G276 VanDerWaalsContact O-N 3.16Å
275	H	38.5	Very low	41	Very low	177 Å²	177	119.3 Å²	119.3	82%	0.819	71%	0.708	S	S	*	*			trans	-52.9	124.1	174.8	-99	-70.6	0	0	0	108	S273	S273-H275 VanDerWaalsContact C-N 3.28Å; S273-H275 PolarHBondContact O-N 3.24Å
276	G	32.1	Very low	40.4	Very low	58 Å²	58	117.4 Å²	117.4	60%	0.598	71%	0.708	S	S	*	*			trans	-54.7	146.5	176.3	0	0	0	0	0	111.6	V274 T278	V274-G276 PolarHBondContact O-N 3.23Å; V274-G276 VanDerWaalsContact O-N 3.16Å; G276-T278 PolarHBondContact O-N 2.98Å
277	E	39.9	Very low	40.3	Very low	201 Å²	201	119.5 Å²	119.5	94%	0.939	71%	0.706	S	S	*	*			trans	-48.1	107.4	170.1	-67.9	176.3	137.1	0	0	110.7
278	T	37.6	Very low	40.5	Very low	132 Å²	132	121.2 Å²	121.2	81%	0.81	70%	0.703	S	S	*	*			trans	-147	116.4	152	23	0	0	0	0	107.3	G276 G280	G276-T278 PolarHBondContact O-N 2.98Å; T278-G280 PolarHBondContact O-N 3.05Å; T278-G280 VanDerWaalsContact O-N 3.17Å
279	G	45.8	Very low	40.8	Very low	95 Å²	95	116.4 Å²	116.4	98%	0.979	69%	0.69	S	S	*	*			trans	-57.3	117	-178.3	0	0	0	0	0	111.5
280	G	40.9	Very low	41.4	Very low	59 Å²	59	113.2 Å²	113.2	61%	0.608	68%	0.681	S	S	*	*			trans	-146.3	130.2	175	0	0	0	0	0	109.9	T278 I282	T278-G280 PolarHBondContact O-N 3.05Å; T278-G280 VanDerWaalsContact O-N 3.17Å; G280-I282 PolarHBondContact O-N 3.49Å
281	D	45.3	Very low	41.4	Very low	120 Å²	120	117 Å²	117	64%	0.642	68%	0.683	S	S	*	*			trans	-53	114.9	-178.7	-175.9	-5.8	0	0	0	111.9	S283 K284	D281-S283 PolarHBondContact O-N 2.91Å; D281-S283 VanDerWaalsContact O-N 3.09Å; D281-S283 WeakPolarHBondContact OD1-CB 3.41Å; D281-S283 PolarHBondContact OD1-N 3.26Å; D281-S283 PolarHBondContact OD1-OG 3.04Å; D281-S283 PolarHBondContact OD2-OG 3.39Å; D281-K284 PolarHBondContact O-N 3.13Å
282	I	51.2	Low	42	Very low	116 Å²	116	120.2 Å²	120.2	60%	0.595	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-64.6	-14.6	-172.6	-64.2	169.8	0	0	0	112	G280 K284 Y288	G280-I282 PolarHBondContact O-N 3.49Å; I282-K284 PolarHBondContact O-N 2.87Å; I282-Y288 HydrophobicContact CG2-CD2 3.92Å; I282-Y288 HydrophobicContact CG2-CE2 4.06Å; I282-Y288 HydrophobicContact CG2-CG 4.3Å
283	S	47.1	Very low	42.7	Very low	91 Å²	91	114.9 Å²	114.9	64%	0.636	67%	0.669	S	S	*	*	G	3₁₀ helix	trans	-68.1	-11.9	177.3	67.1	0	0	0	0	114.8	D281	D281-S283 PolarHBondContact O-N 2.91Å; D281-S283 VanDerWaalsContact O-N 3.09Å; D281-S283 WeakPolarHBondContact OD1-CB 3.41Å; D281-S283 PolarHBondContact OD1-N 3.26Å; D281-S283 PolarHBondContact OD1-OG 3.04Å; D281-S283 PolarHBondContact OD2-OG 3.39Å
284	K	50.2	Low	43.3	Very low	181 Å²	181	114.5 Å²	114.5	79%	0.787	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-108.5	6.3	-178.5	-69.6	-172.1	-179.8	177.8	0	115.4	D281 I282 P286	D281-K284 PolarHBondContact O-N 3.13Å; I282-K284 PolarHBondContact O-N 2.87Å; K284-P286 WeakPolarHBondContact O-CD 3.34Å
285	C	42	Very low	44.1	Very low	64 Å²	64	112.4 Å²	112.4	43%	0.432	66%	0.663	S	S	.	*			trans	-82.5	122.6	179.3	-173.6	0	0	0	0	111.7	Y287 Y288	C285-Y287 PolarHBondContact O-N 3.34Å; C285-Y288 PolarHBondContact O-N 3.33Å
286	P	45.1	Very low	44.5	Very low	111 Å²	111	107.4 Å²	107.4	72%	0.721	66%	0.659	S	S	*	*	H	α-helix	trans	-57.5	-25.5	179.8	-22	31.1	0	0	0	113.7	K284 A290	K284-P286 WeakPolarHBondContact O-CD 3.34Å; P286-A290 PolarHBondContact O-N 3.21Å
287	Y	44.7	Very low	45.2	Very low	198 Å²	198	107 Å²	107	78%	0.776	66%	0.655	S	S	*	*	H	α-helix	trans	-77.8	-24.8	-179.2	-153.9	-99.2	0	0	0	113	C285 K291	C285-Y287 PolarHBondContact O-N 3.34Å; Y287-K291 PolarHBondContact O-N 3.33Å
288	Y	45.7	Very low	45.6	Very low	128 Å²	128	104.1 Å²	104.1	50%	0.502	65%	0.652	S	S	.	*	H	α-helix	trans	-77.5	-34.4	176.7	-153.7	-93.4	0	0	0	111.7	I282 C285 A290 K291 M292	I282-Y288 HydrophobicContact CG2-CD2 3.92Å; I282-Y288 HydrophobicContact CG2-CE2 4.06Å; I282-Y288 HydrophobicContact CG2-CG 4.3Å; C285-Y288 PolarHBondContact O-N 3.33Å; Y288-A290 VanDerWaalsContact C-N 3.35Å; Y288-K291 PolarHBondContact O-N 3.44Å; Y288-M292 PolarHBondContact O-N 3.06Å
289	A	47.3	Very low	46.1	Very low	51 Å²	51	101.3 Å²	101.3	42%	0.421	64%	0.642	S	S	.	*	H	α-helix	trans	-64.5	-38.1	172.7	0	0	0	0	0	112.2	K291 M292 A293	A289-K291 VanDerWaalsContact C-N 3.32Å; A289-K291 PolarHBondContact O-N 3.42Å; A289-M292 PolarHBondContact O-N 2.84Å; A289-A293 PolarHBondContact O-N 3.41Å; A289-A293 VanDerWaalsContact O-N 3.08Å
290	A	45.2	Very low	46.3	Very low	61 Å²	61	103.3 Å²	103.3	50%	0.504	62%	0.62	S	S	.	*	H	α-helix	trans	-65.3	-34.1	175.5	0	0	0	0	0	112.7	P286 Y288 M292 A293	P286-A290 PolarHBondContact O-N 3.21Å; Y288-A290 VanDerWaalsContact C-N 3.35Å; A290-M292 VanDerWaalsContact C-N 3.34Å; A290-A293 PolarHBondContact O-N 2.98Å
291	K	42.7	Very low	46.6	Very low	158 Å²	158	108.2 Å²	108.2	69%	0.687	63%	0.626	S	S	*	*	H	α-helix	trans	-69.7	-30	176.6	-163.3	172.7	-178.3	178.1	0	112.8	Y287 Y288 A289	Y287-K291 PolarHBondContact O-N 3.33Å; Y288-K291 PolarHBondContact O-N 3.44Å; A289-K291 VanDerWaalsContact C-N 3.32Å; A289-K291 PolarHBondContact O-N 3.42Å
292	M	43.6	Very low	46.8	Very low	119 Å²	119	104.6 Å²	104.6	59%	0.586	62%	0.617	S	S	*	*	H	α-helix	trans	-83.2	-23	175.4	-61.7	-64.2	-108.4	0	0	113.1	Y288 A289 A290 A294 S295	Y288-M292 PolarHBondContact O-N 3.06Å; A289-M292 PolarHBondContact O-N 2.84Å; A290-M292 VanDerWaalsContact C-N 3.34Å; M292-A294 VanDerWaalsContact C-N 3.25Å; M292-A294 PolarHBondContact O-N 3.42Å; M292-S295 PolarHBondContact O-N 3.33Å; M292-S295 PolarHBondContact O-OG 3.08Å
293	A	46.4	Very low	46.9	Very low	61 Å²	61	105.7 Å²	105.7	50%	0.504	62%	0.619	S	S	.	*	H	α-helix	trans	-68.3	-25.6	172.6	0	0	0	0	0	112.6	A289 A290 S295	A289-A293 PolarHBondContact O-N 3.41Å; A289-A293 VanDerWaalsContact O-N 3.08Å; A290-A293 PolarHBondContact O-N 2.98Å; A293-S295 VanDerWaalsContact C-N 3.31Å; A293-S295 PolarHBondContact O-N 2.74Å
294	A	46.1	Very low	47	Very low	91 Å²	91	106.8 Å²	106.8	75%	0.752	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	-9.6	177.9	0	0	0	0	0	114.3	M292	M292-A294 VanDerWaalsContact C-N 3.25Å; M292-A294 PolarHBondContact O-N 3.42Å
295	S	48	Very low	47.2	Very low	89 Å²	89	100.5 Å²	100.5	62%	0.622	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.4	13.7	-177.9	63	0	0	0	0	115.1	M292 A293 G297	M292-S295 PolarHBondContact O-N 3.33Å; M292-S295 PolarHBondContact O-OG 3.08Å; A293-S295 VanDerWaalsContact C-N 3.31Å; A293-S295 PolarHBondContact O-N 2.74Å; S295-G297 PolarHBondContact O-N 3.37Å
296	G	47.9	Very low	47.9	Very low	71 Å²	71	103 Å²	103	73%	0.732	60%	0.601	S	S	*	*			trans	62.8	38.8	157.3	0	0	0	0	0	117.3
297	G	45.7	Very low	48.4	Very low	51 Å²	51	100.7 Å²	100.7	53%	0.526	59%	0.591	S	S	.	*			trans	-86.9	124.9	176.1	0	0	0	0	0	113.3	S295 A299 Y300	S295-G297 PolarHBondContact O-N 3.37Å; G297-A299 PolarHBondContact O-N 3.36Å; G297-Y300 PolarHBondContact O-N 3.03Å
298	T	49.1	Very low	48.9	Very low	140 Å²	140	93 Å²	93	86%	0.859	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.2	-12.8	178.2	49.3	0	0	0	0	115	Y300	T298-Y300 VanDerWaalsContact C-N 3.31Å; T298-Y300 PolarHBondContact O-N 3.46Å
299	A	49.1	Very low	49.5	Very low	73 Å²	73	90.1 Å²	90.1	60%	0.603	56%	0.561	S	S	*	*	H	α-helix	trans	-69.3	-23.6	176.4	0	0	0	0	0	113.9	G297 Q303	G297-A299 PolarHBondContact O-N 3.36Å; A299-Q303 PolarHBondContact O-N 3.36Å
300	Y	49.7	Very low	50.2	Low	136 Å²	136	97.9 Å²	97.9	53%	0.533	58%	0.579	S	S	.	*	H	α-helix	trans	-74	-31.7	-175.2	-137.4	-95.2	0	0	0	113	G297 T298 Q303 L304	G297-Y300 PolarHBondContact O-N 3.03Å; T298-Y300 VanDerWaalsContact C-N 3.31Å; T298-Y300 PolarHBondContact O-N 3.46Å; Y300-Q303 PolarHBondContact O-N 3.26Å; Y300-L304 PolarHBondContact O-N 3.46Å; Y300-L304 VanDerWaalsContact O-N 3.11Å
301	F	47.3	Very low	51	Low	163 Å²	163	100.4 Å²	100.4	72%	0.715	58%	0.581	S	S	*	*	H	α-helix	trans	-68.5	-38.7	179.5	-146.9	-89.6	0	0	0	111.4	V305	F301-V305 HydrophobicContact CD1-CG2 4.24Å; F301-V305 HydrophobicContact CE1-CG2 4.31Å; F301-V305 WeakPolarHBondContact O-CG2 3.31Å; F301-V305 PolarHBondContact O-N 3.13Å
302	G	48.2	Very low	51.8	Low	44 Å²	44	97.3 Å²	97.3	45%	0.454	58%	0.576	S	S	.	*	H	α-helix	trans	-65.4	-37.9	175.8	0	0	0	0	0	113.1	M306	G302-M306 WeakPolarHBondContact O-CG 3.49Å; G302-M306 PolarHBondContact O-N 3.44Å
303	Q	53.3	Low	52.8	Low	138 Å²	138	95.8 Å²	95.8	65%	0.645	57%	0.574	S	S	*	*	H	α-helix	trans	-74.4	-35	179.5	-77.5	-178.2	-20.2	0	0	113.1	A299 Y300 M306 A307	A299-Q303 PolarHBondContact O-N 3.36Å; Y300-Q303 PolarHBondContact O-N 3.26Å; Q303-M306 PolarHBondContact O-N 3.11Å; Q303-A307 WeakPolarHBondContact O-CB 3.2Å; Q303-A307 PolarHBondContact O-N 2.99Å
304	L	50.4	Low	53.3	Low	115 Å²	115	93.5 Å²	93.5	60%	0.602	56%	0.556	S	S	*	*	H	α-helix	trans	-68.7	-40.2	178.2	-164.2	73.1	0	0	0	112.1	Y300 A307 A308	Y300-L304 PolarHBondContact O-N 3.46Å; Y300-L304 VanDerWaalsContact O-N 3.11Å; L304-A307 PolarHBondContact O-N 3.24Å; L304-A308 PolarHBondContact O-N 3.14Å
305	V	54.3	Low	53.9	Low	48 Å²	48	94.3 Å²	94.3	29%	0.291	54%	0.544	S	S	.	.	H	α-helix	trans	-64.6	-42.2	175.5	172.9	0	0	0	0	110.9	F301 A307 A308 L309	F301-V305 HydrophobicContact CD1-CG2 4.24Å; F301-V305 HydrophobicContact CE1-CG2 4.31Å; F301-V305 WeakPolarHBondContact O-CG2 3.31Å; F301-V305 PolarHBondContact O-N 3.13Å; V305-A307 VanDerWaalsContact C-N 3.34Å; V305-A307 PolarHBondContact O-N 3.46Å; V305-A308 PolarHBondContact O-N 3.47Å; V305-L309 HydrophobicContact CG1-CD1 3.95Å; V305-L309 VanDerWaalsContact O-CG 3.31Å; V305-L309 WeakPolarHBondContact O-CG 3.48Å; V305-L309 PolarHBondContact O-N 3.18Å; V305-L309 VanDerWaalsContact O-N 3.08Å
306	M	55.6	Low	54.8	Low	117 Å²	117	94.4 Å²	94.4	58%	0.576	54%	0.541	S	S	*	.	H	α-helix	trans	-69.2	-30.6	177.9	-68.1	-65.2	-82.8	0	0	113.1	G302 Q303 R310	G302-M306 WeakPolarHBondContact O-CG 3.49Å; G302-M306 PolarHBondContact O-N 3.44Å; Q303-M306 PolarHBondContact O-N 3.11Å; M306-R310 WeakPolarHBondContact O-CG 3.37Å
307	A	55.7	Low	55.4	Low	62 Å²	62	96.4 Å²	96.4	51%	0.512	54%	0.535	S	S	.	.	H	α-helix	trans	-71.4	-40.1	173.8	0	0	0	0	0	112.1	Q303 L304 V305 R310	Q303-A307 WeakPolarHBondContact O-CB 3.2Å; Q303-A307 PolarHBondContact O-N 2.99Å; L304-A307 PolarHBondContact O-N 3.24Å; V305-A307 VanDerWaalsContact C-N 3.34Å; V305-A307 PolarHBondContact O-N 3.46Å; A307-R310 PolarHBondContact O-N 3.41Å
308	A	54.7	Low	56	Low	36 Å²	36	96.7 Å²	96.7	30%	0.298	52%	0.521	S	S	.	.	H	α-helix	trans	-67.6	-35	177.4	0	0	0	0	0	112.9	L304 V305 R310 H311 F318	L304-A308 PolarHBondContact O-N 3.14Å; V305-A308 PolarHBondContact O-N 3.47Å; A308-R310 PolarHBondContact O-N 3.08Å; A308-H311 PolarHBondContact O-N 3.21Å; A308-F318 HydrophobicContact CB-CE2 3.95Å
309	L	58.4	Low	56.4	Low	68 Å²	68	93 Å²	93	36%	0.356	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-9.8	178	-72.1	170.2	0	0	0	114.4	V305 Q315	V305-L309 HydrophobicContact CG1-CD1 3.95Å; V305-L309 VanDerWaalsContact O-CG 3.31Å; V305-L309 WeakPolarHBondContact O-CG 3.48Å; V305-L309 PolarHBondContact O-N 3.18Å; V305-L309 VanDerWaalsContact O-N 3.08Å; L309-Q315 WeakPolarHBondContact O-CG 3.47Å; L309-Q315 PolarHBondContact O-NE2 3.49Å
310	R	62.5	Low	56.8	Low	214 Å²	214	93.3 Å²	93.3	81%	0.808	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-13	175.9	-76.9	179	175.7	175.9	-0.4	113.7	M306 A307 A308	M306-R310 WeakPolarHBondContact O-CG 3.37Å; A307-R310 PolarHBondContact O-N 3.41Å; A308-R310 PolarHBondContact O-N 3.08Å
311	H	61.9	Low	57.1	Low	115 Å²	115	94.6 Å²	94.6	53%	0.532	50%	0.504	S	S	.	.	S	Bend	trans	-100.5	131.9	179.8	-151.7	-85.5	0	0	0	110.5	A308 T313 G314 Q315	A308-H311 PolarHBondContact O-N 3.21Å; H311-T313 PolarHBondContact CE1-OG1 3.46Å; H311-T313 PolarHBondContact ND1-OG1 3.33Å; H311-T313 PolarHBondContact O-N 3.41Å; H311-T313 VanDerWaalsContact O-N 3.17Å; H311-G314 WeakPolarHBondContact O-CA 3.47Å; H311-G314 PolarHBondContact O-N 3.08Å; H311-Q315 PolarHBondContact O-N 3.17Å; H311-Q315 VanDerWaalsContact O-N 3.08Å
312	P	60.8	Low	57.7	Low	92 Å²	92	93.5 Å²	93.5	60%	0.597	50%	0.499	S	S	*	.	H	α-helix	trans	-54.9	-39	-178.1	-24.5	31.5	0	0	0	113	Q315 V316	P312-Q315 PolarHBondContact O-N 2.8Å; P312-V316 WeakPolarHBondContact O-CG2 3.39Å; P312-V316 PolarHBondContact O-N 3.19Å
313	T	63	Low	58.3	Low	87 Å²	87	94.6 Å²	94.6	53%	0.534	50%	0.504	S	S	.	.	H	α-helix	trans	-67.3	-34	176.5	-26.3	0	0	0	0	112.8	H311 L317	H311-T313 PolarHBondContact CE1-OG1 3.46Å; H311-T313 PolarHBondContact ND1-OG1 3.33Å; H311-T313 PolarHBondContact O-N 3.41Å; H311-T313 VanDerWaalsContact O-N 3.17Å; T313-L317 WeakPolarHBondContact O-CG 3.46Å; T313-L317 PolarHBondContact O-N 3.35Å
314	G	57.3	Low	58.3	Low	13 Å²	13	90.6 Å²	90.6	13%	0.134	49%	0.494	C	S	.	.	H	α-helix	trans	-73.1	-35.3	178	0	0	0	0	0	112.4	H311 L317 F318	H311-G314 WeakPolarHBondContact O-CA 3.47Å; H311-G314 PolarHBondContact O-N 3.08Å; G314-L317 PolarHBondContact O-N 3.03Å; G314-F318 PolarHBondContact O-N 2.91Å
315	Q	58.6	Low	58.4	Low	108 Å²	108	89.3 Å²	89.3	51%	0.505	49%	0.487	S	S	.	.	H	α-helix	trans	-63.9	-40.4	174.1	-67.8	-178	-16.3	0	0	112.1	L309 H311 P312 F318 A319	L309-Q315 WeakPolarHBondContact O-CG 3.47Å; L309-Q315 PolarHBondContact O-NE2 3.49Å; H311-Q315 PolarHBondContact O-N 3.17Å; H311-Q315 VanDerWaalsContact O-N 3.08Å; P312-Q315 PolarHBondContact O-N 2.8Å; Q315-F318 PolarHBondContact O-N 2.99Å; Q315-A319 WeakPolarHBondContact O-CB 3.43Å; Q315-A319 PolarHBondContact O-N 2.8Å
316	V	67.6	Low	58.6	Low	92 Å²	92	90 Å²	90	56%	0.558	50%	0.498	S	S	*	.	H	α-helix	trans	-67.4	-40.1	177.3	176.2	0	0	0	0	111.6	P312 A319 T320	P312-V316 WeakPolarHBondContact O-CG2 3.39Å; P312-V316 PolarHBondContact O-N 3.19Å; V316-A319 PolarHBondContact O-N 3.14Å; V316-T320 WeakPolarHBondContact O-CB 3.34Å; V316-T320 WeakPolarHBondContact O-CG2 3.44Å; V316-T320 PolarHBondContact O-N 2.73Å; V316-T320 PolarHBondContact O-OG1 3Å
317	L	59.2	Low	58.6	Low	113 Å²	113	86.5 Å²	86.5	59%	0.592	49%	0.491	S	S	*	.	H	α-helix	trans	-66.9	-38.6	176.7	-73.4	168.9	0	0	0	112.3	T313 G314 T320 W321	T313-L317 WeakPolarHBondContact O-CG 3.46Å; T313-L317 PolarHBondContact O-N 3.35Å; G314-L317 PolarHBondContact O-N 3.03Å; L317-T320 WeakPolarHBondContact CA-OG1 3.32Å; L317-T320 PolarHBondContact O-OG1 3.46Å; L317-W321 WeakPolarHBondContact O-CB 3.33Å; L317-W321 PolarHBondContact O-N 2.95Å; L317-W321 VanDerWaalsContact O-N 3.14Å
318	F	60	Low	58.2	Low	56 Å²	56	89.3 Å²	89.3	25%	0.246	50%	0.497	C	S	.	.	H	α-helix	trans	-69.4	-41.9	174.6	-98.3	-83.2	0	0	0	112.3	A308 G314 Q315 W321 F322	A308-F318 HydrophobicContact CB-CE2 3.95Å; G314-F318 PolarHBondContact O-N 2.91Å; Q315-F318 PolarHBondContact O-N 2.99Å; F318-W321 PolarHBondContact O-N 3.47Å; F318-F322 HydrophobicContact CD1-CD2 4.37Å; F318-F322 HydrophobicContact CD1-CE2 4.12Å; F318-F322 WeakPolarHBondContact O-CD2 3.4Å; F318-F322 PolarHBondContact O-N 3.02Å
319	A	57.8	Low	57.7	Low	62 Å²	62	90.1 Å²	90.1	51%	0.512	50%	0.504	S	S	.	.	H	α-helix	trans	-65.2	-39.9	178.8	0	0	0	0	0	112.6	Q315 V316 A323	Q315-A319 WeakPolarHBondContact O-CB 3.43Å; Q315-A319 PolarHBondContact O-N 2.8Å; V316-A319 PolarHBondContact O-N 3.14Å; A319-A323 WeakPolarHBondContact O-CB 3.44Å; A319-A323 PolarHBondContact O-N 3.07Å
320	T	55.5	Low	57.2	Low	80 Å²	80	89.3 Å²	89.3	49%	0.491	51%	0.507	S	S	.	.	H	α-helix	trans	-67.5	-37	176	43.2	0	0	0	0	112.2	V316 L317 A324	V316-T320 WeakPolarHBondContact O-CB 3.34Å; V316-T320 WeakPolarHBondContact O-CG2 3.44Å; V316-T320 PolarHBondContact O-N 2.73Å; V316-T320 PolarHBondContact O-OG1 3Å; L317-T320 WeakPolarHBondContact CA-OG1 3.32Å; L317-T320 PolarHBondContact O-OG1 3.46Å; T320-A324 WeakPolarHBondContact O-CB 3.35Å; T320-A324 PolarHBondContact O-N 3.36Å; T320-A324 VanDerWaalsContact O-N 3.07Å
321	W	57	Low	56.6	Low	164 Å²	164	89.3 Å²	89.3	62%	0.621	51%	0.507	S	S	*	.	H	α-helix	trans	-69.1	-41	176.8	-163.9	5.8	0	0	0	112.6	L317 F318 A324 L325	L317-W321 WeakPolarHBondContact O-CB 3.33Å; L317-W321 PolarHBondContact O-N 2.95Å; L317-W321 VanDerWaalsContact O-N 3.14Å; F318-W321 PolarHBondContact O-N 3.47Å; W321-A324 PolarHBondContact O-N 3.43Å; W321-L325 PolarHBondContact O-N 3.43Å
322	F	60.2	Low	55.5	Low	140 Å²	140	93.4 Å²	93.4	61%	0.614	52%	0.519	S	S	*	.	H	α-helix	trans	-67	-36.9	175.1	-92.8	-81.3	0	0	0	112.9	F318 L325 A326	F318-F322 HydrophobicContact CD1-CD2 4.37Å; F318-F322 HydrophobicContact CD1-CE2 4.12Å; F318-F322 WeakPolarHBondContact O-CD2 3.4Å; F318-F322 PolarHBondContact O-N 3.02Å; F322-L325 PolarHBondContact O-N 2.93Å; F322-A326 WeakPolarHBondContact O-CB 3.48Å; F322-A326 PolarHBondContact O-N 3.04Å
323	A	60.4	Low	54.8	Low	67 Å²	67	96 Å²	96	55%	0.554	53%	0.528	S	S	*	.	H	α-helix	trans	-64.9	-39.1	174	0	0	0	0	0	112.2	A319 G327	A319-A323 WeakPolarHBondContact O-CB 3.44Å; A319-A323 PolarHBondContact O-N 3.07Å; A323-G327 PolarHBondContact O-N 3.11Å
324	A	52.5	Low	53.9	Low	53 Å²	53	102.1 Å²	102.1	44%	0.438	55%	0.553	S	S	.	*	H	α-helix	trans	-67	-40.4	175.8	0	0	0	0	0	112.5	T320 W321 G327 L328	T320-A324 WeakPolarHBondContact O-CB 3.35Å; T320-A324 PolarHBondContact O-N 3.36Å; T320-A324 VanDerWaalsContact O-N 3.07Å; W321-A324 PolarHBondContact O-N 3.43Å; A324-G327 PolarHBondContact O-N 3.01Å; A324-L328 PolarHBondContact O-N 3.01Å
325	L	53.9	Low	53.7	Low	89 Å²	89	106.6 Å²	106.6	47%	0.466	57%	0.574	S	S	.	*	H	α-helix	trans	-68.7	-39	176.1	-80.9	166.1	0	0	0	112.5	W321 F322 L328 A329	W321-L325 PolarHBondContact O-N 3.43Å; F322-L325 PolarHBondContact O-N 2.93Å; L325-L328 PolarHBondContact O-N 2.98Å; L325-A329 WeakPolarHBondContact O-CB 3.46Å; L325-A329 PolarHBondContact O-N 3.44Å
326	A	56.9	Low	53.5	Low	63 Å²	63	106.5 Å²	106.5	52%	0.521	58%	0.577	S	S	.	*	H	α-helix	trans	-65.9	-37.7	174.3	0	0	0	0	0	112	F322 A330	F322-A326 WeakPolarHBondContact O-CB 3.48Å; F322-A326 PolarHBondContact O-N 3.04Å; A326-A330 WeakPolarHBondContact O-CB 3.5Å; A326-A330 PolarHBondContact O-N 3Å
327	G	56.5	Low	52.7	Low	42 Å²	42	107.3 Å²	107.3	43%	0.433	58%	0.578	S	S	.	*	H	α-helix	trans	-65.3	-42.1	174.1	0	0	0	0	0	113.3	A323 A324 A330 W331	A323-G327 PolarHBondContact O-N 3.11Å; A324-G327 PolarHBondContact O-N 3.01Å; G327-A330 PolarHBondContact O-N 2.99Å; G327-W331 WeakPolarHBondContact O-CB 3.32Å; G327-W331 PolarHBondContact O-N 3.44Å
328	L	48	Very low	52.3	Low	122 Å²	122	106.9 Å²	106.9	64%	0.639	58%	0.577	S	S	*	*	H	α-helix	trans	-66.4	-39.5	175.8	-82.4	162.9	0	0	0	112.5	A324 L325 Y332	A324-L328 PolarHBondContact O-N 3.01Å; L325-L328 PolarHBondContact O-N 2.98Å; L328-Y332 WeakPolarHBondContact O-CB 3.42Å; L328-Y332 PolarHBondContact O-N 2.98Å; L328-Y332 VanDerWaalsContact O-N 3.11Å
329	A	43.4	Very low	51.8	Low	53 Å²	53	110.1 Å²	110.1	44%	0.438	60%	0.598	S	S	.	*	H	α-helix	trans	-68.7	-37.2	176	0	0	0	0	0	112.4	L325 Y332 L333	L325-A329 WeakPolarHBondContact O-CB 3.46Å; L325-A329 PolarHBondContact O-N 3.44Å; A329-Y332 PolarHBondContact O-N 3.47Å; A329-L333 WeakPolarHBondContact O-CG 3.43Å; A329-L333 PolarHBondContact O-N 3.34Å
330	A	48.3	Very low	51.4	Low	51 Å²	51	113.3 Å²	113.3	42%	0.421	60%	0.604	S	S	.	*	H	α-helix	trans	-70.1	-34.3	175.9	0	0	0	0	0	112.8	A326 G327 M334	A326-A330 WeakPolarHBondContact O-CB 3.5Å; A326-A330 PolarHBondContact O-N 3Å; G327-A330 PolarHBondContact O-N 2.99Å; A330-M334 PolarHBondContact O-N 3.4Å
331	W	49.4	Very low	51.1	Low	213 Å²	213	115.7 Å²	115.7	81%	0.807	61%	0.612	S	S	*	*	H	α-helix	trans	-65.6	-39.3	171.7	-175.8	-62.3	0	0	0	111.9	G327 L333	G327-W331 WeakPolarHBondContact O-CB 3.32Å; G327-W331 PolarHBondContact O-N 3.44Å; W331-L333 PolarHBondContact O-N 3.37Å
332	Y	40.1	Very low	50.7	Low	201 Å²	201	112 Å²	112	79%	0.788	61%	0.611	S	S	*	*	H	α-helix	trans	-72.7	-16.4	-177.9	-170.1	-96.1	0	0	0	113.6	L328 A329	L328-Y332 WeakPolarHBondContact O-CB 3.42Å; L328-Y332 PolarHBondContact O-N 2.98Å; L328-Y332 VanDerWaalsContact O-N 3.11Å; A329-Y332 PolarHBondContact O-N 3.47Å
333	L	45.4	Very low	49.9	Very low	147 Å²	147	109.7 Å²	109.7	77%	0.77	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.1	3.9	-175.5	-69.1	171.7	0	0	0	114.3	A329 W331	A329-L333 WeakPolarHBondContact O-CG 3.43Å; A329-L333 PolarHBondContact O-N 3.34Å; W331-L333 PolarHBondContact O-N 3.37Å
334	M	43.4	Very low	48.9	Very low	215 Å²	215	113.5 Å²	113.5	100%	1.059	62%	0.616	S	S	*	*			trans	-104.7	0	169.3	-79.4	-168.2	-73.1	0	0	110.8	A330	A330-M334 PolarHBondContact O-N 3.4Å

Retrieved 334 of 334 residues in 224.7 ms (Link to these results)

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