A0A5K4F8E6_SCHMA Loading...

Phosphodiesterase

AlphaFold DB , UniProt , Accession A0A5K4F8E6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 704 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	31.6	Very low	30.1	Very low	237 Å²	237	155.6 Å²	155.6	100%	1.167	85%	0.846	S	S	*	*				0	130.5	0	-83.5	-178.6	172.3	0	0	107.9
2	T	31.1	Very low	29.8	Very low	137 Å²	137	152.7 Å²	152.7	84%	0.84	85%	0.845	S	S	*	*			trans	71.7	83.3	162.1	10.1	0	0	0	0	120
3	T	27.8	Very low	29.8	Very low	122 Å²	122	154.5 Å²	154.5	75%	0.748	85%	0.85	S	S	*	*			trans	-36.2	138.1	144.5	-27.4	0	0	0	0	114.9
4	I	33.4	Very low	29.7	Very low	161 Å²	161	147.6 Å²	147.6	83%	0.826	83%	0.832	S	S	*	*			trans	-136.8	108.6	144	-63.4	-176.5	0	0	0	107.9
5	S	27.5	Very low	30.2	Very low	104 Å²	104	146.3 Å²	146.3	73%	0.727	82%	0.822	S	S	*	*			trans	-80	138.8	163.7	-75.5	0	0	0	0	109.8
6	T	33.5	Very low	31	Very low	137 Å²	137	140.3 Å²	140.3	84%	0.84	79%	0.793	S	S	*	*			trans	-134.1	123.3	148.4	37.1	0	0	0	0	108.9
7	N	30.1	Very low	31.4	Very low	166 Å²	166	140.2 Å²	140.2	89%	0.888	79%	0.789	S	S	*	*			trans	-87.2	128.1	177.6	-118.9	-24.9	0	0	0	108.4
8	I	33.4	Very low	31.9	Very low	168 Å²	168	141.2 Å²	141.2	86%	0.862	78%	0.779	S	S	*	*			trans	-141.7	135.7	154.4	-59	-175.9	0	0	0	109.8
9	H	28.3	Very low	32.6	Very low	178 Å²	178	137.5 Å²	137.5	82%	0.824	76%	0.756	S	S	*	*			trans	-45.1	135.1	-171.8	-74.6	-27.2	0	0	0	121.6
10	S	27.2	Very low	33.3	Very low	102 Å²	102	139.9 Å²	139.9	71%	0.713	75%	0.753	S	S	*	*				24.7	119.9	129.7	66.8	0	0	0	0	121.1
11	K	26.9	Very low	33.9	Very low	200 Å²	200	141.9 Å²	141.9	87%	0.87	75%	0.75	S	S	*	*				-170.7	135.7	119.4	-103.2	172	-176.1	-178.9	0	110.9	I13	K11-I13 PolarHBondContact O-N 3.46Å
12	S	26.9	Very low	34.6	Very low	120 Å²	120	134.4 Å²	134.4	84%	0.839	71%	0.709	S	S	*	*			trans	-49.3	115.9	-179.6	178.3	0	0	0	0	113.4
13	I	29.3	Very low	35.5	Very low	176 Å²	176	132.7 Å²	132.7	90%	0.903	69%	0.694	S	S	*	*			trans	-121.7	78.2	165.3	-59.4	172.3	0	0	0	105.5	K11	K11-I13 PolarHBondContact O-N 3.46Å
14	G	28.8	Very low	36.5	Very low	58 Å²	58	134.5 Å²	134.5	60%	0.598	69%	0.688	S	S	*	*			trans	-139.1	41.1	-174.7	0	0	0	0	0	112.2	S16	G14-S16 PolarHBondContact O-N 2.95Å
15	N	36.5	Very low	37	Very low	129 Å²	129	134 Å²	134	69%	0.69	68%	0.675	S	S	*	*			trans	-83.2	110.2	167.7	-83.6	-0.5	0	0	0	108.6
16	S	43.9	Very low	38	Very low	50 Å²	50	131.7 Å²	131.7	35%	0.35	65%	0.654	S	S	.	*			trans	-59.9	149.6	-176	73.4	0	0	0	0	111.7	G14 Y18 E19	G14-S16 PolarHBondContact O-N 2.95Å; S16-Y18 PolarHBondContact O-N 3.44Å; S16-Y18 WeakPolarHBondContact OG-CB 3.26Å; S16-Y18 PolarHBondContact OG-N 3.09Å; S16-E19 PolarHBondContact O-N 3.44Å; S16-E19 PolarHBondContact OG-N 3.28Å; S16-E19 PolarHBondContact OG-OE2 3.19Å
17	L	37.9	Very low	38.8	Very low	138 Å²	138	131.8 Å²	131.8	72%	0.723	65%	0.645	S	S	*	*	H	α-helix	trans	-51.1	-22.9	168.6	-92.2	153	0	0	0	112.8	R21	L17-R21 PolarHBondContact O-N 3.32Å
18	Y	40.1	Very low	39.4	Very low	158 Å²	158	127.5 Å²	127.5	62%	0.62	62%	0.619	S	S	*	*	H	α-helix	trans	-69.2	-43.7	176.3	-173.4	-98.7	0	0	0	112.5	S16 R20 R21 R22	S16-Y18 PolarHBondContact O-N 3.44Å; S16-Y18 WeakPolarHBondContact OG-CB 3.26Å; S16-Y18 PolarHBondContact OG-N 3.09Å; Y18-R20 VanDerWaalsContact C-N 3.33Å; Y18-R20 PolarHBondContact O-N 3.39Å; Y18-R21 PolarHBondContact O-N 3.24Å; Y18-R22 VanDerWaalsContact O-CB 3.31Å; Y18-R22 WeakPolarHBondContact O-CB 3.4Å; Y18-R22 PolarHBondContact O-N 3.32Å
19	E	45.7	Very low	39.7	Very low	72 Å²	72	124.1 Å²	124.1	34%	0.336	60%	0.601	S	S	.	*	H	α-helix	trans	-59.4	-41.4	174.5	-109.7	85.7	-147.7	0	0	112.1	S16 R22 N23	S16-E19 PolarHBondContact O-N 3.44Å; S16-E19 PolarHBondContact OG-N 3.28Å; S16-E19 PolarHBondContact OG-OE2 3.19Å; E19-R22 PolarHBondContact O-N 3.31Å; E19-N23 WeakPolarHBondContact O-CB 3.33Å; E19-N23 PolarHBondContact O-N 2.81Å
20	R	46.8	Very low	40.2	Very low	184 Å²	184	122.6 Å²	122.6	69%	0.694	59%	0.592	S	S	*	*	H	α-helix	trans	-67.8	-42.5	179.3	-66.7	-171.5	-155.1	-176.2	5.2	111.8	Y18 W24	Y18-R20 VanDerWaalsContact C-N 3.33Å; Y18-R20 PolarHBondContact O-N 3.39Å; R20-W24 VanDerWaalsContact O-CB 3.31Å; R20-W24 WeakPolarHBondContact O-CB 3.13Å; R20-W24 PolarHBondContact O-N 3.13Å
21	R	44.7	Very low	40.7	Very low	183 Å²	183	121.1 Å²	121.1	69%	0.691	58%	0.582	S	S	*	*	H	α-helix	trans	-65.9	-38.2	175.9	-76.9	-176.4	176.8	-154.6	-2	112.2	L17 Y18 R25	L17-R21 PolarHBondContact O-N 3.32Å; Y18-R21 PolarHBondContact O-N 3.24Å; R21-R25 PolarHBondContact O-N 3.33Å
22	R	46.5	Very low	41.3	Very low	80 Å²	80	115.2 Å²	115.2	30%	0.302	57%	0.565	S	S	.	*	H	α-helix	trans	-63.6	-50.3	175.6	-178.5	179.3	173	-159.3	-1.3	111.6	Y18 E19 W24 R25 I26 W151	Y18-R22 VanDerWaalsContact O-CB 3.31Å; Y18-R22 WeakPolarHBondContact O-CB 3.4Å; Y18-R22 PolarHBondContact O-N 3.32Å; E19-R22 PolarHBondContact O-N 3.31Å; R22-W24 VanDerWaalsContact C-N 3.33Å; R22-W24 PolarHBondContact O-N 2.97Å; R22-R25 PolarHBondContact O-N 3.42Å; R22-I26 HydrophobicContact CG-CD1 4.03Å; R22-I26 WeakPolarHBondContact O-CG1 3.36Å; R22-I26 PolarHBondContact O-N 3.29Å; R22-W151 HydrophobicContact CG-CZ2 4.23Å; R22-W151 VanDerWaalsContact NH2-CD2 3.29Å; R22-W151 VanDerWaalsContact NH2-CE2 3.26Å
23	N	49.1	Very low	41.6	Very low	101 Å²	101	114.4 Å²	114.4	54%	0.54	55%	0.549	S	S	.	.	H	α-helix	trans	-65.3	-36.2	179.8	-73.3	-16.8	0	0	0	112.4	E19 I26 H27	E19-N23 WeakPolarHBondContact O-CB 3.33Å; E19-N23 PolarHBondContact O-N 2.81Å; N23-I26 PolarHBondContact O-N 3.18Å; N23-H27 WeakPolarHBondContact O-CB 3.26Å; N23-H27 PolarHBondContact O-N 3.45Å
24	W	49.1	Very low	41.5	Very low	160 Å²	160	113.2 Å²	113.2	61%	0.606	54%	0.54	S	S	*	.	H	α-helix	trans	-66.2	-41.7	175.5	-170.6	81.8	0	0	0	112.5	R20 R22 H27 Q28	R20-W24 VanDerWaalsContact O-CB 3.31Å; R20-W24 WeakPolarHBondContact O-CB 3.13Å; R20-W24 PolarHBondContact O-N 3.13Å; R22-W24 VanDerWaalsContact C-N 3.33Å; R22-W24 PolarHBondContact O-N 2.97Å; W24-H27 PolarHBondContact O-N 3.22Å; W24-Q28 HydrophobicContact CD2-CG 4.31Å; W24-Q28 HydrophobicContact CE3-CG 4.35Å; W24-Q28 HydrophobicContact CH2-CG 4.23Å; W24-Q28 HydrophobicContact CZ2-CG 4.17Å; W24-Q28 HydrophobicContact CZ3-CG 4.31Å; W24-Q28 PolarHBondContact O-N 2.82Å
25	R	45.2	Very low	41.5	Very low	150 Å²	150	115.2 Å²	115.2	57%	0.566	54%	0.542	S	S	*	.	H	α-helix	trans	-64.1	-40.6	173.8	-80.2	-178.9	174.2	175.7	-9	112.9	R21 R22 H27 Q28 M29 E562	R21-R25 PolarHBondContact O-N 3.33Å; R22-R25 PolarHBondContact O-N 3.42Å; R25-H27 VanDerWaalsContact C-N 3.31Å; R25-H27 PolarHBondContact O-N 2.78Å; R25-Q28 PolarHBondContact O-N 3.16Å; R25-M29 WeakPolarHBondContact O-CG 3.27Å; R25-M29 PolarHBondContact O-N 3.17Å; R25-E562 IonicContact NH2-OE1 3.44Å; R25-E562 PolarHBondContact NH2-OE1 3.31Å
26	I	49	Very low	41.2	Very low	56 Å²	56	115.1 Å²	115.1	29%	0.287	55%	0.549	S	S	.	.	H	α-helix	trans	-63.4	-39.4	175.7	-67.8	167.6	0	0	0	110.8	R22 N23 K30 W151	R22-I26 HydrophobicContact CG-CD1 4.03Å; R22-I26 WeakPolarHBondContact O-CG1 3.36Å; R22-I26 PolarHBondContact O-N 3.29Å; N23-I26 PolarHBondContact O-N 3.18Å; I26-K30 HydrophobicContact CG2-CD 4.41Å; I26-K30 WeakPolarHBondContact O-CB 3.44Å; I26-K30 WeakPolarHBondContact O-CG 3.4Å; I26-K30 PolarHBondContact O-N 3.29Å; I26-W151 HydrophobicContact CD1-CZ2 4.29Å
27	H	48.4	Very low	40.5	Very low	138 Å²	138	120 Å²	120	64%	0.639	57%	0.569	S	S	*	*	H	α-helix	trans	-69.1	-40	178.7	-162.5	-43.3	0	0	0	112.5	N23 W24 R25 K30 S31	N23-H27 WeakPolarHBondContact O-CB 3.26Å; N23-H27 PolarHBondContact O-N 3.45Å; W24-H27 PolarHBondContact O-N 3.22Å; R25-H27 VanDerWaalsContact C-N 3.31Å; R25-H27 PolarHBondContact O-N 2.78Å; H27-K30 PolarHBondContact O-N 2.8Å; H27-S31 PolarHBondContact O-N 2.99Å; H27-S31 VanDerWaalsContact O-N 3.12Å
28	Q	43.4	Very low	40	Very low	76 Å²	76	120.1 Å²	120.1	36%	0.355	57%	0.571	S	S	.	*	H	α-helix	trans	-63.8	-45.3	174	-80.4	-97.3	-31.2	0	0	111.6	W24 R25 K30 S31 C32	W24-Q28 HydrophobicContact CD2-CG 4.31Å; W24-Q28 HydrophobicContact CE3-CG 4.35Å; W24-Q28 HydrophobicContact CH2-CG 4.23Å; W24-Q28 HydrophobicContact CZ2-CG 4.17Å; W24-Q28 HydrophobicContact CZ3-CG 4.31Å; W24-Q28 PolarHBondContact O-N 2.82Å; R25-Q28 PolarHBondContact O-N 3.16Å; Q28-K30 VanDerWaalsContact C-N 3.33Å; Q28-K30 PolarHBondContact O-N 3.33Å; Q28-S31 PolarHBondContact O-N 2.69Å; Q28-S31 PolarHBondContact O-OG 2.92Å; Q28-C32 PolarHBondContact O-N 3.34Å; Q28-C32 VanDerWaalsContact O-N 3.15Å; Q28-C32 PolarHBondContact O-SG 3.18Å
29	M	39.2	Very low	39.4	Very low	98 Å²	98	118.7 Å²	118.7	48%	0.483	58%	0.578	S	S	.	*	H	α-helix	trans	-65.9	-34.1	178	-69.8	177.8	96.8	0	0	112.8	R25 C32 M33 L159	R25-M29 WeakPolarHBondContact O-CG 3.27Å; R25-M29 PolarHBondContact O-N 3.17Å; M29-C32 PolarHBondContact O-N 3.36Å; M29-M33 WeakPolarHBondContact O-CG 3.46Å; M29-M33 PolarHBondContact O-N 3Å; M29-L159 HydrophobicContact CE-CD1 4.48Å; M29-L159 HydrophobicContact CE-CD2 3.67Å
30	K	39.7	Very low	38.4	Very low	145 Å²	145	120.7 Å²	120.7	63%	0.63	60%	0.6	S	S	*	*	H	α-helix	trans	-68	-38.6	174.7	-79.8	-175.1	175.9	-172.2	0	112.8	I26 H27 Q28 C32 M33	I26-K30 HydrophobicContact CG2-CD 4.41Å; I26-K30 WeakPolarHBondContact O-CB 3.44Å; I26-K30 WeakPolarHBondContact O-CG 3.4Å; I26-K30 PolarHBondContact O-N 3.29Å; H27-K30 PolarHBondContact O-N 2.8Å; Q28-K30 VanDerWaalsContact C-N 3.33Å; Q28-K30 PolarHBondContact O-N 3.33Å; K30-C32 VanDerWaalsContact C-N 3.27Å; K30-C32 PolarHBondContact O-N 3.49Å; K30-M33 PolarHBondContact O-N 3.29Å
31	S	38.2	Very low	37.4	Very low	72 Å²	72	118.3 Å²	118.3	50%	0.503	61%	0.606	S	S	.	*	H	α-helix	trans	-72.8	-22.4	177	86	0	0	0	0	112.8	H27 Q28 M33	H27-S31 PolarHBondContact O-N 2.99Å; H27-S31 VanDerWaalsContact O-N 3.12Å; Q28-S31 PolarHBondContact O-N 2.69Å; Q28-S31 PolarHBondContact O-OG 2.92Å; S31-M33 VanDerWaalsContact C-N 3.29Å
32	C	38.1	Very low	36.5	Very low	76 Å²	76	116.1 Å²	116.1	51%	0.514	61%	0.614	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.8	-9.2	172.5	-64.5	0	0	0	0	113.9	Q28 M29 K30	Q28-C32 PolarHBondContact O-N 3.34Å; Q28-C32 VanDerWaalsContact O-N 3.15Å; Q28-C32 PolarHBondContact O-SG 3.18Å; M29-C32 PolarHBondContact O-N 3.36Å; K30-C32 VanDerWaalsContact C-N 3.27Å; K30-C32 PolarHBondContact O-N 3.49Å
33	M	33.3	Very low	35.4	Very low	103 Å²	103	117.3 Å²	117.3	51%	0.507	63%	0.634	S	S	.	*	S	Bend	trans	-110.1	-4.4	-175.6	-77	-165.2	147.2	0	0	114.2	M29 K30 S31 P35 L159	M29-M33 WeakPolarHBondContact O-CG 3.46Å; M29-M33 PolarHBondContact O-N 3Å; K30-M33 PolarHBondContact O-N 3.29Å; S31-M33 VanDerWaalsContact C-N 3.29Å; M33-P35 WeakPolarHBondContact O-CD 3.39Å; M33-L159 HydrophobicContact CE-CD2 4.3Å
34	E	28.5	Very low	34.3	Very low	150 Å²	150	120 Å²	120	70%	0.701	65%	0.647	S	S	*	*	S	Bend	trans	-86.9	115.8	171.8	-74.7	-178.2	175.3	0	0	109.1
35	P	28.3	Very low	33.1	Very low	100 Å²	100	122.6 Å²	122.6	65%	0.649	66%	0.658	S	S	*	*			trans	-61.9	150.6	170.1	27.7	-32.2	0	0	0	109	M33 I37	M33-P35 WeakPolarHBondContact O-CD 3.39Å; P35-I37 PolarHBondContact O-N 3.19Å; P35-I37 VanDerWaalsContact O-N 3.1Å
36	P	30.6	Very low	32.3	Very low	128 Å²	128	122.6 Å²	122.6	83%	0.831	67%	0.669	S	S	*	*			trans	-55.6	123.1	171	23.7	-30.4	0	0	0	108.7	N38	P36-N38 PolarHBondContact O-N 3.24Å
37	I	28.2	Very low	31.2	Very low	152 Å²	152	128.2 Å²	128.2	78%	0.779	69%	0.692	S	S	*	*	S	Bend	trans	-67.3	94.9	176.5	-60.8	168.1	0	0	0	107.2	P35	P35-I37 PolarHBondContact O-N 3.19Å; P35-I37 VanDerWaalsContact O-N 3.1Å
38	N	27.5	Very low	30.2	Very low	140 Å²	140	128 Å²	128	75%	0.749	70%	0.695	S	S	*	*			trans	169.2	96.9	144.5	-92.5	-18.3	0	0	0	111.3	P36	P36-N38 PolarHBondContact O-N 3.24Å
39	V	28.4	Very low	29.5	Very low	129 Å²	129	131.3 Å²	131.3	78%	0.782	72%	0.715	S	S	*	*			trans	-138.2	104.3	150.7	-174.5	0	0	0	0	107.8	T41	V39-T41 PolarHBondContact O-N 2.61Å; V39-T41 VanDerWaalsContact O-N 3.13Å
40	S	24.4	Very low	29.1	Very low	114 Å²	114	134.4 Å²	134.4	80%	0.797	73%	0.734	S	S	*	*			trans	-71.7	94.4	168.5	49	0	0	0	0	109.5	T42	S40-T42 PolarHBondContact O-N 3.32Å
41	T	25.5	Very low	28.4	Very low	134 Å²	134	135.5 Å²	135.5	82%	0.822	75%	0.747	S	S	*	*			trans	-74.1	104.2	167.8	24.5	0	0	0	0	109.2	V39	V39-T41 PolarHBondContact O-N 2.61Å; V39-T41 VanDerWaalsContact O-N 3.13Å
42	T	25.8	Very low	27.9	Very low	137 Å²	137	135.4 Å²	135.4	84%	0.84	76%	0.757	S	S	*	*			trans	-79.7	126.2	167.8	8.4	0	0	0	0	109	S40	S40-T42 PolarHBondContact O-N 3.32Å
43	S	23.6	Very low	27.3	Very low	104 Å²	104	140 Å²	140	73%	0.727	77%	0.774	S	S	*	*			trans	-68.7	135.3	-179.4	63.6	0	0	0	0	112.8
44	I	26.6	Very low	26.9	Very low	158 Å²	158	145.9 Å²	145.9	81%	0.81	79%	0.791	S	S	*	*			trans	-135.9	97	146.9	-57.1	-178.5	0	0	0	108.2
45	Y	23.9	Very low	26.8	Very low	214 Å²	214	147 Å²	147	84%	0.839	80%	0.799	S	S	*	*			trans	-78.6	128.2	159.8	-110.9	-91.1	0	0	0	107.8
46	N	28.6	Very low	26.6	Very low	150 Å²	150	148.6 Å²	148.6	80%	0.802	80%	0.801	S	S	*	*			trans	-139	133	149	-94.4	-31.9	0	0	0	109.6
47	K	26	Very low	26.5	Very low	175 Å²	175	149.8 Å²	149.8	76%	0.761	80%	0.799	S	S	*	*			trans	-61.4	148.9	172.8	-54.3	160.8	160.3	173.9	0	108.7
48	D	27.7	Very low	26.4	Very low	132 Å²	132	148.3 Å²	148.3	71%	0.706	79%	0.791	S	S	*	*				-176.6	152.1	71.5	-80.3	-53.6	0	0	0	107.6
49	D	28.2	Very low	26.5	Very low	146 Å²	146	147.2 Å²	147.2	78%	0.781	79%	0.794	S	S	*	*			trans	52.8	112.5	152.1	-52.9	-26.9	0	0	0	120.8
50	D	29.6	Very low	26.5	Very low	163 Å²	163	147.9 Å²	147.9	87%	0.872	79%	0.786	S	S	*	*				178.5	150.1	101.1	-120.4	-28.8	0	0	0	113.9
51	D	26.3	Very low	26.7	Very low	169 Å²	169	149.8 Å²	149.8	90%	0.904	78%	0.78	S	S	*	*			trans	-66.2	121.1	-173.6	-79.7	-47.2	0	0	0	114.2
52	G	26.5	Very low	26.9	Very low	70 Å²	70	148.1 Å²	148.1	72%	0.722	77%	0.774	S	S	*	*			trans	-157.2	97.6	176.5	0	0	0	0	0	114.6	R54	G52-R54 PolarHBondContact O-N 2.84Å
53	I	25.8	Very low	27.2	Very low	172 Å²	172	148.1 Å²	148.1	88%	0.882	77%	0.769	S	S	*	*			trans	6.1	93	166.5	-51.7	178.4	0	0	0	116.5	M55	I53-M55 PolarHBondContact O-N 3.1Å
54	R	24.7	Very low	27.6	Very low	226 Å²	226	151.6 Å²	151.6	85%	0.853	78%	0.777	S	S	*	*			trans	-77.4	112.5	167.6	-115.2	177.9	172.8	162.9	-1.1	110.9	G52 N56	G52-R54 PolarHBondContact O-N 2.84Å; R54-N56 PolarHBondContact O-N 3.04Å; R54-N56 VanDerWaalsContact O-N 3.07Å
55	M	26.3	Very low	27.7	Very low	175 Å²	175	152.2 Å²	152.2	86%	0.862	78%	0.781	S	S	*	*			trans	-65.7	102.4	155.9	-86.9	-133.5	-155.7	0	0	108.5	I53 I57	I53-M55 PolarHBondContact O-N 3.1Å; M55-I57 PolarHBondContact O-N 3.44Å
56	N	24.9	Very low	27.9	Very low	132 Å²	132	147.4 Å²	147.4	71%	0.706	78%	0.778	S	S	*	*			trans	-70.7	90.9	173.3	-105.1	-17.2	0	0	0	110.1	R54 M58	R54-N56 PolarHBondContact O-N 3.04Å; R54-N56 VanDerWaalsContact O-N 3.07Å; N56-M58 VanDerWaalsContact C-N 3.3Å; N56-M58 HydrophobicContact CB-CG 4.5Å; N56-M58 PolarHBondContact O-N 3.07Å; N56-M58 VanDerWaalsContact O-N 3.13Å
57	I	29.2	Very low	27.8	Very low	154 Å²	154	148.2 Å²	148.2	79%	0.79	78%	0.782	S	S	*	*			trans	-79.6	84.9	162.1	-58	177.7	0	0	0	106.9	M55 S59	M55-I57 PolarHBondContact O-N 3.44Å; I57-S59 PolarHBondContact O-N 3.17Å
58	M	26.1	Very low	27.9	Very low	121 Å²	121	148 Å²	148	60%	0.596	78%	0.781	S	S	*	*			trans	-72.7	107.8	173.6	-69.7	-169.2	91.1	0	0	110	N56 K60	N56-M58 VanDerWaalsContact C-N 3.3Å; N56-M58 HydrophobicContact CB-CG 4.5Å; N56-M58 PolarHBondContact O-N 3.07Å; N56-M58 VanDerWaalsContact O-N 3.13Å; M58-K60 HydrophobicContact CB-CG 4.39Å; M58-K60 HydrophobicContact CE-CD 3.92Å; M58-K60 HydrophobicContact CE-CG 4.02Å; M58-K60 PolarHBondContact O-N 3Å; M58-K60 HydrophobicContact SD-CD 4.21Å
59	S	29	Very low	27.9	Very low	116 Å²	116	149.2 Å²	149.2	81%	0.811	78%	0.782	S	S	*	*			trans	-71.6	79.3	155.4	-179.9	0	0	0	0	108.6	I57 K61	I57-S59 PolarHBondContact O-N 3.17Å; S59-K61 PolarHBondContact O-N 2.82Å
60	K	28.8	Very low	27.8	Very low	143 Å²	143	149.3 Å²	149.3	62%	0.622	78%	0.783	S	S	*	*			trans	-84.8	87.1	169.8	-94	-179.3	163.4	176.9	0	109.2	M58	M58-K60 HydrophobicContact CB-CG 4.39Å; M58-K60 HydrophobicContact CE-CD 3.92Å; M58-K60 HydrophobicContact CE-CG 4.02Å; M58-K60 PolarHBondContact O-N 3Å; M58-K60 HydrophobicContact SD-CD 4.21Å
61	K	28.2	Very low	27.9	Very low	154 Å²	154	153.7 Å²	153.7	67%	0.67	79%	0.788	S	S	*	*			trans	-57	133.7	149.1	-91.8	-180	170.4	179.5	0	106.5	S59	S59-K61 PolarHBondContact O-N 2.82Å
62	S	30	Very low	27.8	Very low	99 Å²	99	158.4 Å²	158.4	69%	0.692	79%	0.793	S	S	*	*	S	Bend	trans	61.8	110.2	-179.3	60.3	0	0	0	0	116.7
63	D	30.6	Very low	27.7	Very low	138 Å²	138	158.2 Å²	158.2	74%	0.738	79%	0.791	S	S	*	*			trans	170.6	-1.8	140.8	-86.4	-14.8	0	0	0	115.7	L65	D63-L65 PolarHBondContact O-N 3.1Å; D63-L65 VanDerWaalsContact O-N 3.1Å
64	I	32.3	Very low	27.6	Very low	176 Å²	176	159.3 Å²	159.3	90%	0.903	79%	0.789	S	S	*	*			trans	-91	47.7	178.4	-44.5	179.3	0	0	0	111.8
65	L	28.6	Very low	27.6	Very low	172 Å²	172	154.3 Å²	154.3	90%	0.901	78%	0.784	S	S	*	*			trans	-118.9	57.9	173	-90.4	168.9	0	0	0	110	D63	D63-L65 PolarHBondContact O-N 3.1Å; D63-L65 VanDerWaalsContact O-N 3.1Å
66	C	27.9	Very low	27.5	Very low	113 Å²	113	153.9 Å²	153.9	76%	0.764	78%	0.784	S	S	*	*			trans	-175.7	94	157.6	-125.9	0	0	0	0	110.2
67	N	27.2	Very low	27.5	Very low	167 Å²	167	152.6 Å²	152.6	89%	0.893	79%	0.785	S	S	*	*				-172	138.1	124.6	-102.7	-29.6	0	0	0	112.5
68	K	27.5	Very low	27.4	Very low	170 Å²	170	154.3 Å²	154.3	74%	0.739	79%	0.789	S	S	*	*			trans	-70.6	149.4	-173.7	-74.4	173.4	169.5	179.2	0	112.4
69	E	27.8	Very low	27.5	Very low	157 Å²	157	156.7 Å²	156.7	73%	0.734	80%	0.799	S	S	*	*			trans	70.6	133.6	144.1	-67.8	161	-156.6	0	0	118.1
70	N	27.4	Very low	27.4	Very low	148 Å²	148	157 Å²	157	79%	0.791	80%	0.798	S	S	*	*			trans	86.9	84.2	165.1	-49	-33	0	0	0	118.2
71	W	30.2	Very low	27.8	Very low	256 Å²	256	155.2 Å²	155.2	97%	0.97	80%	0.803	S	S	*	*			trans	-124.8	7	164	-113	58.4	0	0	0	115.2
72	W	24.9	Very low	28.7	Very low	267 Å²	267	153.8 Å²	153.8	100%	1.011	81%	0.807	S	S	*	*	S	Bend	trans	-105.1	79.7	168.9	-65	99.2	0	0	0	109.9
73	G	23.6	Very low	29.8	Very low	66 Å²	66	155.4 Å²	155.4	68%	0.68	81%	0.807	S	S	*	*	S	Bend	trans	146.1	118.3	166.7	0	0	0	0	0	115.4
74	K	23.9	Very low	31.4	Very low	195 Å²	195	153.2 Å²	153.2	85%	0.848	80%	0.795	S	S	*	*			trans	78.8	126	153.5	-70.1	178.6	174.6	175.3	0	119
75	T	25.1	Very low	33.2	Very low	121 Å²	121	146.9 Å²	146.9	74%	0.742	76%	0.764	S	S	*	*			trans	72.1	97.6	142.5	48.6	0	0	0	0	118.8	S77	T75-S77 PolarHBondContact O-N 3.3Å; T75-S77 VanDerWaalsContact O-N 3.13Å
76	I	24.2	Very low	35.3	Very low	167 Å²	167	139.5 Å²	139.5	86%	0.856	73%	0.727	S	S	*	*			trans	-1.5	96.4	133.3	-52.2	168.9	0	0	0	113.1
77	S	24.2	Very low	37.4	Very low	105 Å²	105	135.8 Å²	135.8	73%	0.734	70%	0.698	S	S	*	*			trans	-135.7	119.7	153.5	58.3	0	0	0	0	107.2	T75 E79	T75-S77 PolarHBondContact O-N 3.3Å; T75-S77 VanDerWaalsContact O-N 3.13Å; S77-E79 PolarHBondContact O-N 2.98Å
78	H	27.5	Very low	39.7	Very low	190 Å²	190	129.8 Å²	129.8	88%	0.88	67%	0.672	S	S	*	*			trans	-63.8	99.1	-179.3	-82.5	-88.9	0	0	0	111.1
79	E	27.9	Very low	42.2	Very low	171 Å²	171	126 Å²	126	80%	0.799	66%	0.656	S	S	*	*			trans	-94.9	147.1	151.2	-89.7	-175.6	159.7	0	0	108.6	S77 S81	S77-E79 PolarHBondContact O-N 2.98Å; E79-S81 PolarHBondContact O-N 3.44Å
80	P	28.5	Very low	44.5	Very low	122 Å²	122	122.6 Å²	122.6	79%	0.792	64%	0.643	S	S	*	*			trans	-64.2	108.5	-178.7	27.9	-31.9	0	0	0	108	V82	P80-V82 PolarHBondContact O-N 2.95Å
81	S	35.3	Very low	46.9	Very low	105 Å²	105	117 Å²	117	73%	0.734	61%	0.612	S	S	*	*			trans	-57.9	107.9	178.6	51.2	0	0	0	0	108.8	E79 L83	E79-S81 PolarHBondContact O-N 3.44Å; S81-L83 PolarHBondContact O-N 3.48Å; S81-L83 VanDerWaalsContact O-N 3.07Å
82	V	49	Very low	49.2	Very low	124 Å²	124	107.7 Å²	107.7	75%	0.752	59%	0.59	S	S	*	*			trans	-57.9	115.6	171.8	179	0	0	0	0	107	P80 I84	P80-V82 PolarHBondContact O-N 2.95Å; V82-I84 HydrophobicContact CG1-CG1 4.28Å; V82-I84 PolarHBondContact O-N 3.43Å
83	L	51.9	Low	51.9	Low	133 Å²	133	99.8 Å²	99.8	70%	0.696	57%	0.566	S	S	*	*			trans	-69.4	98.7	174.7	-80.5	164.1	0	0	0	108.2	S81 L173	S81-L83 PolarHBondContact O-N 3.48Å; S81-L83 VanDerWaalsContact O-N 3.07Å; L83-L173 HydrophobicContact CD2-CD2 4.49Å
84	I	65.1	Low	54.6	Low	93 Å²	93	99 Å²	99	48%	0.477	55%	0.547	S	S	.	.			trans	-84	126.9	174.9	-58.7	171.1	0	0	0	107.9	V82 A88 Q89	V82-I84 HydrophobicContact CG1-CG1 4.28Å; V82-I84 PolarHBondContact O-N 3.43Å; I84-A88 HydrophobicContact CG2-CB 3.98Å; I84-Q89 HydrophobicContact CG2-CB 4.01Å
85	T	69	Low	57.4	Low	42 Å²	42	92.9 Å²	92.9	26%	0.258	52%	0.523	S	S	.	.			trans	-58.9	141.7	175.7	66.9	0	0	0	0	109.6	F87 A88 Q89 T169	T85-F87 PolarHBondContact O-N 2.9Å; T85-A88 PolarHBondContact O-N 2.9Å; T85-A88 VanDerWaalsContact O-N 3.11Å; T85-A88 WeakPolarHBondContact OG1-CB 3.24Å; T85-A88 PolarHBondContact OG1-N 3.12Å; T85-Q89 PolarHBondContact O-N 3.43Å; T85-T169 WeakPolarHBondContact CB-OG1 3.4Å; T85-T169 HydrophobicContact CG2-CG2 3.96Å
86	P	73.6	Confident	60.1	Low	17 Å²	17	95 Å²	95	11%	0.11	52%	0.518	C	S	.	.	H	α-helix	trans	-54.8	-37.7	-179.5	10.8	-20	0	0	0	112.5	Q89 I90 L168 K172	P86-Q89 PolarHBondContact O-N 3.34Å; P86-I90 VanDerWaalsContact O-CG1 3.3Å; P86-I90 WeakPolarHBondContact O-CG1 3.42Å; P86-I90 PolarHBondContact O-N 3.48Å; P86-L168 HydrophobicContact CB-CD2 3.82Å; P86-L168 HydrophobicContact CB-CG 4.08Å; P86-L168 HydrophobicContact CG-CB 4.33Å; P86-L168 HydrophobicContact CG-CD2 3.86Å; P86-L168 HydrophobicContact CG-CG 3.7Å; P86-L168 WeakPolarHBondContact CG-O 3.32Å; P86-K172 HydrophobicContact CB-CD 3.84Å; P86-K172 HydrophobicContact CG-CB 3.93Å; P86-K172 HydrophobicContact CG-CD 3.66Å; P86-K172 HydrophobicContact CG-CG 4.45Å
87	F	72.3	Confident	62.8	Low	35 Å²	35	89 Å²	89	15%	0.154	49%	0.492	C	S	.	.	H	α-helix	trans	-63.9	-47.9	176.9	-170	-88.4	0	0	0	112.1	T85 Q89 I90 L91 L156 Q160 V165 L168	T85-F87 PolarHBondContact O-N 2.9Å; F87-Q89 VanDerWaalsContact C-N 3.27Å; F87-Q89 PolarHBondContact O-N 2.92Å; F87-I90 PolarHBondContact O-N 3.27Å; F87-L91 HydrophobicContact CE1-CD2 4.36Å; F87-L91 WeakPolarHBondContact O-CB 3.46Å; F87-L91 PolarHBondContact O-N 3.36Å; F87-L156 HydrophobicContact CZ-CB 4.38Å; F87-L156 WeakPolarHBondContact CZ-O 3.34Å; F87-Q160 HydrophobicContact CD1-CG 4.29Å; F87-Q160 HydrophobicContact CE1-CG 3.58Å; F87-Q160 HydrophobicContact CZ-CG 3.96Å; F87-V165 HydrophobicContact CB-CG1 4.04Å; F87-V165 HydrophobicContact CD1-CG2 4.28Å; F87-V165 HydrophobicContact CD2-CG2 4.48Å; F87-V165 HydrophobicContact CG-CG1 4.46Å; F87-V165 HydrophobicContact CG-CG2 4.15Å; F87-L168 HydrophobicContact CB-CD2 4.04Å
88	A	75	Confident	65.6	Low	42 Å²	42	87.6 Å²	87.6	35%	0.347	47%	0.471	S	S	.	.	H	α-helix	trans	-62.6	-36.1	177	0	0	0	0	0	112	I84 T85 L91 A92	I84-A88 HydrophobicContact CG2-CB 3.98Å; T85-A88 PolarHBondContact O-N 2.9Å; T85-A88 VanDerWaalsContact O-N 3.11Å; T85-A88 WeakPolarHBondContact OG1-CB 3.24Å; T85-A88 PolarHBondContact OG1-N 3.12Å; A88-L91 PolarHBondContact O-N 3.44Å; A88-A92 WeakPolarHBondContact O-CB 3.24Å; A88-A92 PolarHBondContact O-N 3.46Å
89	Q	78.8	Confident	68.2	Low	89 Å²	89	82.3 Å²	82.3	42%	0.416	45%	0.449	S	S	.	.	H	α-helix	trans	-63.5	-46.1	174.9	-173.4	178.2	-0.5	0	0	111.6	I84 T85 P86 F87 A92 I93	I84-Q89 HydrophobicContact CG2-CB 4.01Å; T85-Q89 PolarHBondContact O-N 3.43Å; P86-Q89 PolarHBondContact O-N 3.34Å; F87-Q89 VanDerWaalsContact C-N 3.27Å; F87-Q89 PolarHBondContact O-N 2.92Å; Q89-A92 PolarHBondContact O-N 3.39Å; Q89-I93 HydrophobicContact CG-CD1 4.1Å; Q89-I93 WeakPolarHBondContact O-CD1 3.48Å; Q89-I93 VanDerWaalsContact O-CG1 3.24Å; Q89-I93 WeakPolarHBondContact O-CG1 3.26Å; Q89-I93 PolarHBondContact O-N 2.89Å
90	I	77	Confident	70.7	Confident	87 Å²	87	80.3 Å²	80.3	45%	0.446	44%	0.438	S	S	.	.	H	α-helix	trans	-62.4	-47.1	176.4	-69.9	165.2	0	0	0	110.2	P86 F87 A92 I93 L94	P86-I90 VanDerWaalsContact O-CG1 3.3Å; P86-I90 WeakPolarHBondContact O-CG1 3.42Å; P86-I90 PolarHBondContact O-N 3.48Å; F87-I90 PolarHBondContact O-N 3.27Å; I90-A92 VanDerWaalsContact C-N 3.31Å; I90-A92 PolarHBondContact O-N 2.91Å; I90-I93 PolarHBondContact O-N 2.64Å; I90-I93 VanDerWaalsContact O-N 3.16Å; I90-L94 HydrophobicContact CG2-CD1 3.79Å; I90-L94 HydrophobicContact CG2-CG 4.24Å; I90-L94 WeakPolarHBondContact O-CG 3.39Å; I90-L94 PolarHBondContact O-N 3.37Å
91	L	77.1	Confident	72.9	Confident	30 Å²	30	77.2 Å²	77.2	16%	0.157	41%	0.414	C	S	.	.	H	α-helix	trans	-60.7	-40.8	179.6	-167.7	67	0	0	0	111.6	F87 A88 L94 N95 L153	F87-L91 HydrophobicContact CE1-CD2 4.36Å; F87-L91 WeakPolarHBondContact O-CB 3.46Å; F87-L91 PolarHBondContact O-N 3.36Å; A88-L91 PolarHBondContact O-N 3.44Å; L91-L94 PolarHBondContact O-N 3.46Å; L91-N95 WeakPolarHBondContact O-CB 3.19Å; L91-N95 PolarHBondContact O-N 3.28Å; L91-N95 PolarHBondContact O-ND2 3.2Å; L91-L153 HydrophobicContact CD1-CD2 3.97Å
92	A	79.4	Confident	74.9	Confident	61 Å²	61	73.3 Å²	73.3	50%	0.504	39%	0.387	S	S	.	.	H	α-helix	trans	-65.1	-40.5	175.5	0	0	0	0	0	112.5	A88 Q89 I90 R96	A88-A92 WeakPolarHBondContact O-CB 3.24Å; A88-A92 PolarHBondContact O-N 3.46Å; Q89-A92 PolarHBondContact O-N 3.39Å; I90-A92 VanDerWaalsContact C-N 3.31Å; I90-A92 PolarHBondContact O-N 2.91Å; A92-R96 WeakPolarHBondContact O-CB 3.4Å; A92-R96 PolarHBondContact O-N 3Å
93	I	80.9	Confident	76	Confident	100 Å²	100	71.5 Å²	71.5	51%	0.513	37%	0.374	S	S	.	.	H	α-helix	trans	-64.7	-44.4	176.4	-69.3	164.8	0	0	0	110.7	Q89 I90 R96 A97	Q89-I93 HydrophobicContact CG-CD1 4.1Å; Q89-I93 WeakPolarHBondContact O-CD1 3.48Å; Q89-I93 VanDerWaalsContact O-CG1 3.24Å; Q89-I93 WeakPolarHBondContact O-CG1 3.26Å; Q89-I93 PolarHBondContact O-N 2.89Å; I90-I93 PolarHBondContact O-N 2.64Å; I90-I93 VanDerWaalsContact O-N 3.16Å; I93-R96 PolarHBondContact O-N 2.6Å; I93-A97 PolarHBondContact O-N 3.46Å
94	L	81.2	Confident	76.7	Confident	50 Å²	50	72.8 Å²	72.8	26%	0.262	37%	0.37	S	S	.	.	H	α-helix	trans	-66.3	-44.2	179.6	-69	173.1	0	0	0	111.9	I90 L91 R96 A97 R98 F149 L153 L156	I90-L94 HydrophobicContact CG2-CD1 3.79Å; I90-L94 HydrophobicContact CG2-CG 4.24Å; I90-L94 WeakPolarHBondContact O-CG 3.39Å; I90-L94 PolarHBondContact O-N 3.37Å; L91-L94 PolarHBondContact O-N 3.46Å; L94-R96 VanDerWaalsContact C-N 3.29Å; L94-R96 PolarHBondContact O-N 3.48Å; L94-A97 WeakPolarHBondContact O-CB 3.24Å; L94-A97 PolarHBondContact O-N 3.33Å; L94-A97 VanDerWaalsContact O-N 3.15Å; L94-R98 PolarHBondContact O-N 3.36Å; L94-F149 HydrophobicContact CB-CE1 4.21Å; L94-F149 HydrophobicContact CB-CZ 4.14Å; L94-F149 HydrophobicContact CD2-CZ 3.91Å; L94-F149 VanDerWaalsContact O-CE1 3.27Å; L94-F149 WeakPolarHBondContact O-CE1 3.49Å; L94-F149 WeakPolarHBondContact O-CZ 3.49Å; L94-L153 HydrophobicContact CB-CD2 3.72Å; L94-L153 HydrophobicContact CD1-CD2 4.4Å; L94-L156 HydrophobicContact CD1-CD1 3.72Å
95	N	81.8	Confident	76.4	Confident	66 Å²	66	70.7 Å²	70.7	35%	0.353	36%	0.362	S	S	.	.	H	α-helix	trans	-58.2	-42.3	173.4	-81.1	-60.1	0	0	0	111.7	L91 A97 R98 D99	L91-N95 WeakPolarHBondContact O-CB 3.19Å; L91-N95 PolarHBondContact O-N 3.28Å; L91-N95 PolarHBondContact O-ND2 3.2Å; N95-A97 VanDerWaalsContact C-N 3.35Å; N95-A97 PolarHBondContact O-N 3.46Å; N95-R98 WeakPolarHBondContact O-CB 3.31Å; N95-R98 PolarHBondContact O-N 2.91Å; N95-D99 PolarHBondContact O-N 3.37Å
96	R	82.7	Confident	75.7	Confident	167 Å²	167	72.9 Å²	72.9	63%	0.63	38%	0.379	S	S	*	.	H	α-helix	trans	-64.2	-39.6	176.1	-167.2	176.1	-171.1	152.2	2.4	112.3	A92 I93 L94 R98 D99 F100	A92-R96 WeakPolarHBondContact O-CB 3.4Å; A92-R96 PolarHBondContact O-N 3Å; I93-R96 PolarHBondContact O-N 2.6Å; L94-R96 VanDerWaalsContact C-N 3.29Å; L94-R96 PolarHBondContact O-N 3.48Å; R96-R98 VanDerWaalsContact C-N 3.32Å; R96-D99 PolarHBondContact O-N 3.46Å; R96-F100 HydrophobicContact CG-CD2 4Å; R96-F100 HydrophobicContact CG-CE2 3.82Å; R96-F100 WeakPolarHBondContact O-CD2 3.28Å; R96-F100 PolarHBondContact O-N 2.95Å
97	A	79.8	Confident	74.5	Confident	39 Å²	39	78.1 Å²	78.1	32%	0.322	41%	0.406	S	S	.	.	H	α-helix	trans	-62.8	-40	175.7	0	0	0	0	0	111.8	I93 L94 N95 F100 L101 F149	I93-A97 PolarHBondContact O-N 3.46Å; L94-A97 WeakPolarHBondContact O-CB 3.24Å; L94-A97 PolarHBondContact O-N 3.33Å; L94-A97 VanDerWaalsContact O-N 3.15Å; N95-A97 VanDerWaalsContact C-N 3.35Å; N95-A97 PolarHBondContact O-N 3.46Å; A97-F100 WeakPolarHBondContact O-CB 3.42Å; A97-F100 PolarHBondContact O-N 3.48Å; A97-L101 PolarHBondContact O-N 2.96Å; A97-F149 HydrophobicContact CB-CZ 4.29Å
98	R	83.7	Confident	73	Confident	76 Å²	76	80.5 Å²	80.5	29%	0.287	43%	0.427	S	S	.	.	H	α-helix	trans	-60.7	-46.8	173.5	-173.9	-89.7	-173.2	-168.9	-2.7	112	L94 N95 R96 F100 L101 S102 L146 F149 D150 L153	L94-R98 PolarHBondContact O-N 3.36Å; N95-R98 WeakPolarHBondContact O-CB 3.31Å; N95-R98 PolarHBondContact O-N 2.91Å; R96-R98 VanDerWaalsContact C-N 3.32Å; R98-F100 VanDerWaalsContact C-N 3.3Å; R98-F100 PolarHBondContact O-N 3.04Å; R98-L101 WeakPolarHBondContact O-CB 3.47Å; R98-L101 PolarHBondContact O-N 3.24Å; R98-L101 VanDerWaalsContact O-N 3.15Å; R98-S102 PolarHBondContact O-N 3.4Å; R98-L146 HydrophobicContact CG-CD2 4.42Å; R98-F149 HydrophobicContact CB-CD1 3.72Å; R98-F149 HydrophobicContact CB-CE1 3.67Å; R98-F149 HydrophobicContact CG-CD1 3.89Å; R98-F149 HydrophobicContact CG-CE1 4.35Å; R98-D150 WeakPolarHBondContact CG-OD1 3.47Å; R98-D150 IonicContact CZ-OD1 3.52Å; R98-D150 IonicContact CZ-OD2 3.75Å; R98-D150 IonicContact NE-OD1 2.76Å; R98-D150 PolarHBondContact NE-OD1 2.83Å; R98-D150 IonicContact NE-OD2 3.67Å; R98-D150 IonicContact NH2-OD1 3.42Å; R98-D150 PolarHBondContact NH2-OD1 2.96Å; R98-D150 IonicContact NH2-OD2 2.9Å; R98-D150 PolarHBondContact NH2-OD2 3.08Å; R98-L153 HydrophobicContact CB-CD1 4.3Å; R98-L153 HydrophobicContact CG-CD1 4.29Å
99	D	82.5	Confident	71.2	Confident	79 Å²	79	82.9 Å²	82.9	42%	0.422	44%	0.439	S	S	.	.	H	α-helix	trans	-63.3	-35.6	176.9	-68	-21.3	0	0	0	112.3	N95 R96 S102 N103	N95-D99 PolarHBondContact O-N 3.37Å; R96-D99 PolarHBondContact O-N 3.46Å; D99-S102 WeakPolarHBondContact CA-OG 3.19Å; D99-S102 PolarHBondContact O-OG 3.26Å; D99-N103 WeakPolarHBondContact O-CB 3.4Å; D99-N103 PolarHBondContact O-N 3.37Å; D99-N103 PolarHBondContact O-ND2 2.83Å; D99-N103 VanDerWaalsContact O-ND2 3.07Å
100	F	80.4	Confident	69.2	Low	130 Å²	130	84.3 Å²	84.3	57%	0.57	46%	0.458	S	S	*	.	H	α-helix	trans	-64	-42.6	172.7	-88.3	-67.1	0	0	0	112.3	R96 A97 R98 N103 Y104	R96-F100 HydrophobicContact CG-CD2 4Å; R96-F100 HydrophobicContact CG-CE2 3.82Å; R96-F100 WeakPolarHBondContact O-CD2 3.28Å; R96-F100 PolarHBondContact O-N 2.95Å; A97-F100 WeakPolarHBondContact O-CB 3.42Å; A97-F100 PolarHBondContact O-N 3.48Å; R98-F100 VanDerWaalsContact C-N 3.3Å; R98-F100 PolarHBondContact O-N 3.04Å; F100-N103 PolarHBondContact O-N 3.24Å; F100-Y104 PolarHBondContact O-N 2.86Å
101	L	74.5	Confident	67.2	Low	56 Å²	56	90 Å²	90	29%	0.293	48%	0.476	S	S	.	.	H	α-helix	trans	-64.7	-41.4	176.5	-82.3	153	0	0	0	112	A97 R98 N103 Y104 L145 L146	A97-L101 PolarHBondContact O-N 2.96Å; R98-L101 WeakPolarHBondContact O-CB 3.47Å; R98-L101 PolarHBondContact O-N 3.24Å; R98-L101 VanDerWaalsContact O-N 3.15Å; L101-N103 VanDerWaalsContact C-N 3.33Å; L101-N103 PolarHBondContact O-N 3.15Å; L101-Y104 VanDerWaalsContact O-CB 3.3Å; L101-Y104 WeakPolarHBondContact O-CB 3.32Å; L101-Y104 PolarHBondContact O-N 2.96Å; L101-L145 HydrophobicContact CD2-CD2 4.18Å; L101-L146 HydrophobicContact CB-CD2 3.8Å
102	S	76.5	Confident	65.2	Low	24 Å²	24	93 Å²	93	17%	0.168	50%	0.5	C	S	.	.	H	α-helix	trans	-69.4	-28.3	177.1	67.3	0	0	0	0	113.5	R98 D99 Y104 T105 S106	R98-S102 PolarHBondContact O-N 3.4Å; D99-S102 WeakPolarHBondContact CA-OG 3.19Å; D99-S102 PolarHBondContact O-OG 3.26Å; S102-Y104 VanDerWaalsContact C-N 3.27Å; S102-T105 PolarHBondContact O-N 2.99Å; S102-T105 PolarHBondContact O-OG1 2.94Å; S102-S106 PolarHBondContact O-N 3.22Å; S102-S106 PolarHBondContact O-OG 3.24Å
103	N	73	Confident	63.1	Low	86 Å²	86	95 Å²	95	46%	0.46	51%	0.507	S	S	.	.	H	α-helix	trans	-72.1	-24.8	173.5	-74.1	-29.2	0	0	0	112.2	D99 F100 L101 S106 N107	D99-N103 WeakPolarHBondContact O-CB 3.4Å; D99-N103 PolarHBondContact O-N 3.37Å; D99-N103 PolarHBondContact O-ND2 2.83Å; D99-N103 VanDerWaalsContact O-ND2 3.07Å; F100-N103 PolarHBondContact O-N 3.24Å; L101-N103 VanDerWaalsContact C-N 3.33Å; L101-N103 PolarHBondContact O-N 3.15Å; N103-S106 PolarHBondContact O-N 3.19Å; N103-N107 PolarHBondContact O-N 3.25Å
104	Y	66	Low	61.1	Low	160 Å²	160	98.2 Å²	98.2	63%	0.627	52%	0.52	S	S	*	.	H	α-helix	trans	-69.6	-32.6	174.7	-126.1	-91.8	0	0	0	112.7	F100 L101 S102 L134	F100-Y104 PolarHBondContact O-N 2.86Å; L101-Y104 VanDerWaalsContact O-CB 3.3Å; L101-Y104 WeakPolarHBondContact O-CB 3.32Å; L101-Y104 PolarHBondContact O-N 2.96Å; S102-Y104 VanDerWaalsContact C-N 3.27Å; Y104-L134 HydrophobicContact CE1-CD2 4.17Å; Y104-L134 WeakPolarHBondContact OH-CD2 3.42Å
105	T	59.8	Low	59	Low	49 Å²	49	102.5 Å²	102.5	30%	0.301	54%	0.543	S	S	.	.	H	α-helix	trans	-77.7	-26.5	175.9	57.5	0	0	0	0	112.8	S102 V142 L146	S102-T105 PolarHBondContact O-N 2.99Å; S102-T105 PolarHBondContact O-OG1 2.94Å; T105-V142 HydrophobicContact CG2-CB 3.95Å; T105-V142 HydrophobicContact CG2-CG1 3.29Å; T105-L146 HydrophobicContact CG2-CD1 4.22Å
106	S	54.5	Low	57	Low	87 Å²	87	105.2 Å²	105.2	61%	0.608	56%	0.564	S	S	*	*	H	α-helix	trans	-85.8	-21.1	-174.8	-55.1	0	0	0	0	114	S102 N103	S102-S106 PolarHBondContact O-N 3.22Å; S102-S106 PolarHBondContact O-OG 3.24Å; N103-S106 PolarHBondContact O-N 3.19Å
107	N	48.3	Very low	54.9	Low	128 Å²	128	103.2 Å²	103.2	68%	0.684	57%	0.566	S	S	*	*			trans	-107.8	19.3	-174.3	-78.5	-26.3	0	0	0	114.8	N103 P109	N103-N107 PolarHBondContact O-N 3.25Å; N107-P109 WeakPolarHBondContact O-CD 3.33Å; N107-P109 VanDerWaalsContact O-N 3.12Å
108	S	41	Very low	52.9	Low	84 Å²	84	110.3 Å²	110.3	59%	0.587	60%	0.595	S	S	*	*			trans	-63.7	114.8	173.2	-178.6	0	0	0	0	109.6	S110	S108-S110 PolarHBondContact O-N 2.99Å; S108-S110 VanDerWaalsContact O-N 3.17Å
109	P	37.1	Very low	50.3	Low	92 Å²	92	112.8 Å²	112.8	60%	0.597	62%	0.622	S	S	*	*			trans	-65.9	121.1	-178.4	-13.5	27.6	0	0	0	109	N107 Y111	N107-P109 WeakPolarHBondContact O-CD 3.33Å; N107-P109 VanDerWaalsContact O-N 3.12Å; P109-Y111 VanDerWaalsContact C-N 3.3Å; P109-Y111 PolarHBondContact O-N 3.43Å
110	S	36.3	Very low	47.7	Very low	119 Å²	119	113.8 Å²	113.8	83%	0.832	64%	0.636	S	S	*	*			trans	-65.9	94.3	161.7	57.6	0	0	0	0	107.7	S108 S112	S108-S110 PolarHBondContact O-N 2.99Å; S108-S110 VanDerWaalsContact O-N 3.17Å; S110-S112 PolarHBondContact O-N 2.66Å; S110-S112 VanDerWaalsContact O-N 3.09Å
111	Y	35.6	Very low	45.5	Very low	206 Å²	206	114.8 Å²	114.8	81%	0.808	65%	0.652	S	S	*	*			trans	-69.7	104.5	177	-125.2	-89.8	0	0	0	109	P109	P109-Y111 VanDerWaalsContact C-N 3.3Å; P109-Y111 PolarHBondContact O-N 3.43Å
112	S	33.8	Very low	43.5	Very low	95 Å²	95	122.3 Å²	122.3	66%	0.664	68%	0.683	S	S	*	*			trans	-84.8	125.6	161.7	177.9	0	0	0	0	108.1	S110 H114	S110-S112 PolarHBondContact O-N 2.66Å; S110-S112 VanDerWaalsContact O-N 3.09Å; S112-H114 PolarHBondContact O-N 3.24Å
113	P	36.2	Very low	41.3	Very low	102 Å²	102	126 Å²	126	66%	0.662	71%	0.709	S	S	*	*	S	Bend	trans	-82.8	47.2	-170.7	34.3	-35.8	0	0	0	113.1
114	H	37.8	Very low	39.2	Very low	168 Å²	168	129.9 Å²	129.9	78%	0.778	73%	0.727	S	S	*	*			trans	-156.9	84.9	175.6	-71.7	-62.8	0	0	0	112.7	S112	S112-H114 PolarHBondContact O-N 3.24Å
115	D	38.9	Very low	37.5	Very low	140 Å²	140	125.8 Å²	125.8	75%	0.749	73%	0.734	S	S	*	*			trans	-159.3	115.3	149.2	-139.7	-28.9	0	0	0	112.4	N117	D115-N117 VanDerWaalsContact C-N 3.34Å; D115-N117 PolarHBondContact O-N 3.32Å
116	P	38.1	Very low	36	Very low	122 Å²	122	129.3 Å²	129.3	79%	0.792	76%	0.759	S	S	*	*			trans	-81.5	1.8	-179.3	-11.1	28	0	0	0	115.7
117	N	39.9	Very low	34.9	Very low	125 Å²	125	131.6 Å²	131.6	67%	0.668	77%	0.765	S	S	*	*			trans	-122.7	68.3	-163.5	-76.1	-25.9	0	0	0	114.5	D115	D115-N117 VanDerWaalsContact C-N 3.34Å; D115-N117 PolarHBondContact O-N 3.32Å
118	M	36.7	Very low	34.4	Very low	188 Å²	188	133.9 Å²	133.9	93%	0.926	77%	0.771	S	S	*	*			trans	-150.2	73.7	159.9	-91.4	-68.4	105.1	0	0	110.2
119	C	28.8	Very low	34.3	Very low	129 Å²	129	139 Å²	139	87%	0.872	78%	0.783	S	S	*	*			trans	-114	96.5	162.6	-171.7	0	0	0	0	107.6
120	S	29.6	Very low	34.2	Very low	100 Å²	100	144.1 Å²	144.1	70%	0.699	79%	0.792	S	S	*	*			trans	168.3	101.2	148.5	46	0	0	0	0	110.6
121	T	34.2	Very low	34.1	Very low	150 Å²	150	143.4 Å²	143.4	92%	0.92	78%	0.782	S	S	*	*			trans	-172.1	112.6	136.7	27.3	0	0	0	0	108.7
122	K	31.7	Very low	34	Very low	215 Å²	215	141.1 Å²	141.1	94%	0.935	78%	0.784	S	S	*	*			trans	-82.6	126.3	174.7	-74.9	175.4	172.6	177.1	0	108.9
123	S	29.5	Very low	34	Very low	102 Å²	102	142.3 Å²	142.3	71%	0.713	79%	0.791	S	S	*	*			trans	-163.1	122	141.2	69.9	0	0	0	0	112.9
124	I	30.6	Very low	33.9	Very low	166 Å²	166	142.7 Å²	142.7	85%	0.851	79%	0.787	S	S	*	*			trans	80.4	90.1	145.9	-57.3	156.6	0	0	0	117.6
125	G	29.8	Very low	34.2	Very low	74 Å²	74	143.3 Å²	143.3	76%	0.763	79%	0.79	S	S	*	*				60.4	75.5	125.8	0	0	0	0	0	118.9
126	C	27.9	Very low	34.6	Very low	123 Å²	123	147.2 Å²	147.2	83%	0.831	79%	0.794	S	S	*	*			trans	-138.3	127.1	154.3	-87.7	0	0	0	0	108.7	E128	C126-E128 PolarHBondContact O-N 3.01Å
127	D	31.9	Very low	35.4	Very low	135 Å²	135	148.1 Å²	148.1	72%	0.722	79%	0.786	S	S	*	*			trans	-55.7	118.9	-179.9	-101.6	-41	0	0	0	111.3	K129 Y130	D127-K129 PolarHBondContact O-N 3.11Å; D127-Y130 PolarHBondContact O-N 3.4Å
128	E	36.5	Very low	36.5	Very low	177 Å²	177	147.3 Å²	147.3	83%	0.827	78%	0.781	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61	-1.4	179	-80	179.7	147.9	0	0	114.4	C126	C126-E128 PolarHBondContact O-N 3.01Å
129	K	39.4	Very low	37.9	Very low	192 Å²	192	142.8 Å²	142.8	84%	0.835	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	-13.5	178.4	-78.7	-177	177.2	177.1	0	115	D127	D127-K129 PolarHBondContact O-N 3.11Å
130	Y	35.4	Very low	39.8	Very low	198 Å²	198	143.3 Å²	143.3	78%	0.776	75%	0.753	S	S	*	*	S	Bend	trans	-98	-9.1	-179.6	-86.7	-87.2	0	0	0	114.8	D127 N132	D127-Y130 PolarHBondContact O-N 3.4Å; Y130-N132 VanDerWaalsContact C-N 3.33Å; Y130-N132 PolarHBondContact O-N 2.57Å
131	V	34.3	Very low	41.8	Very low	104 Å²	104	144.7 Å²	144.7	63%	0.63	74%	0.744	S	S	*	*	G	3₁₀ helix	trans	-78	-17.1	-171.1	-177.6	0	0	0	0	113
132	N	32.6	Very low	43.5	Very low	158 Å²	158	138.5 Å²	138.5	85%	0.845	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-95.2	12.1	-174	-75.8	-22.4	0	0	0	115.8	Y130	Y130-N132 VanDerWaalsContact C-N 3.33Å; Y130-N132 PolarHBondContact O-N 2.57Å
133	C	34.7	Very low	45.6	Very low	120 Å²	120	131.8 Å²	131.8	81%	0.811	68%	0.68	S	S	*	*	G	3₁₀ helix	trans	-106.9	3.6	176.9	-108.4	0	0	0	0	115.3	H135	C133-H135 VanDerWaalsContact C-N 3.33Å; C133-H135 PolarHBondContact O-N 3.26Å
134	L	34.4	Very low	47.7	Very low	111 Å²	111	131.7 Å²	131.7	58%	0.581	67%	0.669	S	S	*	*			trans	-82.2	76.1	175	-102.6	84.5	0	0	0	111.2	Y104 R136	Y104-L134 HydrophobicContact CE1-CD2 4.17Å; Y104-L134 WeakPolarHBondContact OH-CD2 3.42Å; L134-R136 PolarHBondContact O-N 3.12Å
135	H	43.4	Very low	49.8	Very low	180 Å²	180	126.7 Å²	126.7	83%	0.833	64%	0.643	S	S	*	*			trans	-62.8	117.5	157.1	-116.6	-84.5	0	0	0	107.4	C133 F137	C133-H135 VanDerWaalsContact C-N 3.33Å; C133-H135 PolarHBondContact O-N 3.26Å; H135-F137 PolarHBondContact O-N 3.24Å
136	R	46.3	Very low	52.1	Low	223 Å²	223	123.9 Å²	123.9	84%	0.842	61%	0.611	S	S	*	*			trans	-33.2	108.8	176.3	-97.4	174.1	167.1	168.3	-3.8	111.5	L134 D138	L134-R136 PolarHBondContact O-N 3.12Å; R136-D138 PolarHBondContact O-N 3.18Å
137	F	54.9	Low	54.4	Low	141 Å²	141	123.5 Å²	123.5	62%	0.618	60%	0.6	S	S	*	*			trans	-62.6	133	166.7	-78.6	-86.2	0	0	0	108.8	H135 V139 Y141 V142	H135-F137 PolarHBondContact O-N 3.24Å; F137-V139 PolarHBondContact O-N 3.47Å; F137-Y141 HydrophobicContact CD1-CD1 4.31Å; F137-V142 HydrophobicContact CB-CG2 3.93Å
138	D	63.5	Low	56.4	Low	107 Å²	107	121.7 Å²	121.7	57%	0.572	59%	0.588	S	S	*	*			trans	-62.1	124.4	174.6	-175.6	-7.8	0	0	0	109.3	R136 H140 Y141 V142	R136-D138 PolarHBondContact O-N 3.18Å; D138-H140 PolarHBondContact O-N 3.39Å; D138-H140 VanDerWaalsContact O-N 3.11Å; D138-H140 WeakPolarHBondContact OD1-CB 3.45Å; D138-H140 PolarHBondContact OD1-N 3.09Å; D138-Y141 WeakPolarHBondContact O-CB 3.5Å; D138-Y141 PolarHBondContact O-N 3.12Å; D138-V142 PolarHBondContact O-N 2.88Å; D138-V142 VanDerWaalsContact O-N 3.12Å
139	V	67.4	Low	58.5	Low	93 Å²	93	115.5 Å²	115.5	56%	0.564	56%	0.558	S	S	*	*	H	α-helix	trans	-53.3	-33	177	177.6	0	0	0	0	110.7	F137 N143	F137-V139 PolarHBondContact O-N 3.47Å; V139-N143 WeakPolarHBondContact O-CB 3.38Å; V139-N143 PolarHBondContact O-N 3.17Å; V139-N143 PolarHBondContact O-ND2 3.07Å
140	H	68.5	Low	60.4	Low	141 Å²	141	108.5 Å²	108.5	65%	0.653	53%	0.53	S	S	*	.	H	α-helix	trans	-68.6	-37.2	178	-152.4	-59.3	0	0	0	112.9	D138 Q144	D138-H140 PolarHBondContact O-N 3.39Å; D138-H140 VanDerWaalsContact O-N 3.11Å; D138-H140 WeakPolarHBondContact OD1-CB 3.45Å; D138-H140 PolarHBondContact OD1-N 3.09Å; H140-Q144 PolarHBondContact O-N 2.83Å; H140-Q144 VanDerWaalsContact O-N 3.11Å
141	Y	71.4	Confident	62.3	Low	128 Å²	128	102.9 Å²	102.9	50%	0.502	51%	0.507	S	S	.	.	H	α-helix	trans	-70	-41.5	176.2	178.7	-102.4	0	0	0	111.5	F137 D138 N143 Q144 L145	F137-Y141 HydrophobicContact CD1-CD1 4.31Å; D138-Y141 WeakPolarHBondContact O-CB 3.5Å; D138-Y141 PolarHBondContact O-N 3.12Å; Y141-N143 PolarHBondContact O-N 2.92Å; Y141-Q144 PolarHBondContact O-N 3.34Å; Y141-L145 WeakPolarHBondContact O-CB 3.44Å; Y141-L145 PolarHBondContact O-N 2.88Å
142	V	70.4	Confident	64.3	Low	20 Å²	20	100.7 Å²	100.7	12%	0.121	50%	0.496	C	S	.	.	H	α-helix	trans	-66	-39.7	178.4	-174.9	0	0	0	0	111.3	T105 F137 D138 L145 L146	T105-V142 HydrophobicContact CG2-CB 3.95Å; T105-V142 HydrophobicContact CG2-CG1 3.29Å; F137-V142 HydrophobicContact CB-CG2 3.93Å; D138-V142 PolarHBondContact O-N 2.88Å; D138-V142 VanDerWaalsContact O-N 3.12Å; V142-L145 PolarHBondContact O-N 3.03Å; V142-L146 HydrophobicContact CG1-CD1 4.33Å; V142-L146 WeakPolarHBondContact O-CB 3.31Å; V142-L146 WeakPolarHBondContact O-CG 3.42Å; V142-L146 PolarHBondContact O-N 3.18Å
143	N	74.3	Confident	66.3	Low	74 Å²	74	94 Å²	94	40%	0.396	46%	0.46	S	S	.	.	H	α-helix	trans	-65	-37.8	174.2	-75	-25.9	0	0	0	112.5	V139 Y141 L146 N147	V139-N143 WeakPolarHBondContact O-CB 3.38Å; V139-N143 PolarHBondContact O-N 3.17Å; V139-N143 PolarHBondContact O-ND2 3.07Å; Y141-N143 PolarHBondContact O-N 2.92Å; N143-L146 PolarHBondContact O-N 3.34Å; N143-N147 VanDerWaalsContact O-CG 3.25Å; N143-N147 PolarHBondContact O-N 3.38Å; N143-N147 PolarHBondContact O-ND2 2.86Å
144	Q	73.4	Confident	68.3	Low	100 Å²	100	94.9 Å²	94.9	47%	0.467	45%	0.452	S	S	.	.	H	α-helix	trans	-64.1	-44.7	174	-176.2	177	-7.1	0	0	111.5	H140 Y141 L146 N147 E148	H140-Q144 PolarHBondContact O-N 2.83Å; H140-Q144 VanDerWaalsContact O-N 3.11Å; Y141-Q144 PolarHBondContact O-N 3.34Å; Q144-L146 VanDerWaalsContact C-N 3.35Å; Q144-L146 PolarHBondContact O-N 3.37Å; Q144-N147 PolarHBondContact O-N 3.32Å; Q144-E148 PolarHBondContact O-N 3.3Å
145	L	75.4	Confident	70	Confident	61 Å²	61	91.4 Å²	91.4	32%	0.319	44%	0.436	S	S	.	.	H	α-helix	trans	-62	-41.6	176.8	-171.4	71.6	0	0	0	111.9	L101 Y141 V142 E148 F149	L101-L145 HydrophobicContact CD2-CD2 4.18Å; Y141-L145 WeakPolarHBondContact O-CB 3.44Å; Y141-L145 PolarHBondContact O-N 2.88Å; V142-L145 PolarHBondContact O-N 3.03Å; L145-E148 PolarHBondContact O-N 2.69Å; L145-F149 WeakPolarHBondContact O-CB 3.38Å; L145-F149 PolarHBondContact O-N 2.83Å
146	L	77.5	Confident	71.3	Confident	16 Å²	16	85.6 Å²	85.6	8%	0.084	41%	0.411	C	S	.	.	H	α-helix	trans	-61.8	-42.4	175.2	-78.5	170.6	0	0	0	111.8	R98 L101 T105 V142 N143 Q144 E148 F149 D150	R98-L146 HydrophobicContact CG-CD2 4.42Å; L101-L146 HydrophobicContact CB-CD2 3.8Å; T105-L146 HydrophobicContact CG2-CD1 4.22Å; V142-L146 HydrophobicContact CG1-CD1 4.33Å; V142-L146 WeakPolarHBondContact O-CB 3.31Å; V142-L146 WeakPolarHBondContact O-CG 3.42Å; V142-L146 PolarHBondContact O-N 3.18Å; N143-L146 PolarHBondContact O-N 3.34Å; Q144-L146 VanDerWaalsContact C-N 3.35Å; Q144-L146 PolarHBondContact O-N 3.37Å; L146-E148 PolarHBondContact O-N 3.32Å; L146-F149 PolarHBondContact O-N 3.23Å; L146-D150 WeakPolarHBondContact O-CB 3.37Å; L146-D150 PolarHBondContact O-N 3.37Å
147	N	77.1	Confident	72.5	Confident	114 Å²	114	78.2 Å²	78.2	61%	0.61	39%	0.388	S	S	*	.	H	α-helix	trans	-64	-40	176.3	-70.7	-23.1	0	0	0	112.4	N143 Q144 F149 W151	N143-N147 VanDerWaalsContact O-CG 3.25Å; N143-N147 PolarHBondContact O-N 3.38Å; N143-N147 PolarHBondContact O-ND2 2.86Å; Q144-N147 PolarHBondContact O-N 3.32Å; N147-F149 VanDerWaalsContact C-N 3.34Å; N147-W151 WeakPolarHBondContact O-CB 3.43Å; N147-W151 PolarHBondContact O-N 2.67Å; N147-W151 VanDerWaalsContact O-N 3.09Å
148	E	74.4	Confident	73.3	Confident	97 Å²	97	75.3 Å²	75.3	45%	0.453	39%	0.385	S	S	.	.	H	α-helix	trans	-65.4	-39.6	174.2	-72.6	178.6	-170.6	0	0	111.3	Q144 L145 L146 W151 C152	Q144-E148 PolarHBondContact O-N 3.3Å; L145-E148 PolarHBondContact O-N 2.69Å; L146-E148 PolarHBondContact O-N 3.32Å; E148-W151 PolarHBondContact O-N 3.37Å; E148-C152 PolarHBondContact O-N 3.46Å; E148-C152 PolarHBondContact O-SG 3.07Å
149	F	79.4	Confident	73.4	Confident	47 Å²	47	73 Å²	73	21%	0.206	37%	0.372	C	S	.	.	H	α-helix	trans	-67.7	-44.9	178.8	-156.4	-76.5	0	0	0	112.1	L94 A97 R98 L145 L146 N147 W151 C152 L153	L94-F149 HydrophobicContact CB-CE1 4.21Å; L94-F149 HydrophobicContact CB-CZ 4.14Å; L94-F149 HydrophobicContact CD2-CZ 3.91Å; L94-F149 VanDerWaalsContact O-CE1 3.27Å; L94-F149 WeakPolarHBondContact O-CE1 3.49Å; L94-F149 WeakPolarHBondContact O-CZ 3.49Å; A97-F149 HydrophobicContact CB-CZ 4.29Å; R98-F149 HydrophobicContact CB-CD1 3.72Å; R98-F149 HydrophobicContact CB-CE1 3.67Å; R98-F149 HydrophobicContact CG-CD1 3.89Å; R98-F149 HydrophobicContact CG-CE1 4.35Å; L145-F149 WeakPolarHBondContact O-CB 3.38Å; L145-F149 PolarHBondContact O-N 2.83Å; L146-F149 PolarHBondContact O-N 3.23Å; N147-F149 VanDerWaalsContact C-N 3.34Å; F149-W151 VanDerWaalsContact C-N 3.31Å; F149-W151 PolarHBondContact O-N 3.43Å; F149-C152 WeakPolarHBondContact O-CB 3.3Å; F149-C152 PolarHBondContact O-N 2.74Å; F149-C152 VanDerWaalsContact O-N 3.14Å; F149-L153 HydrophobicContact CD1-CD1 3.73Å; F149-L153 HydrophobicContact CD1-CG 3.94Å; F149-L153 HydrophobicContact CE1-CD1 3.77Å; F149-L153 HydrophobicContact CE1-CD2 4.23Å; F149-L153 HydrophobicContact CE1-CG 3.91Å; F149-L153 PolarHBondContact O-N 3.44Å
150	D	79.1	Confident	73.2	Confident	45 Å²	45	72.2 Å²	72.2	24%	0.241	36%	0.363	C	S	.	.	H	α-helix	trans	-60.6	-42.9	176.2	-76.4	-11.3	0	0	0	110.2	R98 L146 C152 L153 E154	R98-D150 WeakPolarHBondContact CG-OD1 3.47Å; R98-D150 IonicContact CZ-OD1 3.52Å; R98-D150 IonicContact CZ-OD2 3.75Å; R98-D150 IonicContact NE-OD1 2.76Å; R98-D150 PolarHBondContact NE-OD1 2.83Å; R98-D150 IonicContact NE-OD2 3.67Å; R98-D150 IonicContact NH2-OD1 3.42Å; R98-D150 PolarHBondContact NH2-OD1 2.96Å; R98-D150 IonicContact NH2-OD2 2.9Å; R98-D150 PolarHBondContact NH2-OD2 3.08Å; L146-D150 WeakPolarHBondContact O-CB 3.37Å; L146-D150 PolarHBondContact O-N 3.37Å; D150-C152 PolarHBondContact O-N 3.5Å; D150-L153 PolarHBondContact O-N 3.43Å; D150-E154 WeakPolarHBondContact O-CG 3.35Å; D150-E154 PolarHBondContact O-N 3.19Å
151	W	77.1	Confident	72.8	Confident	80 Å²	80	67.7 Å²	67.7	30%	0.303	35%	0.347	S	S	.	.	H	α-helix	trans	-62.2	-41.4	172.7	178	70.7	0	0	0	113	R22 I26 N147 E148 F149 L153 E154 V155	R22-W151 HydrophobicContact CG-CZ2 4.23Å; R22-W151 VanDerWaalsContact NH2-CD2 3.29Å; R22-W151 VanDerWaalsContact NH2-CE2 3.26Å; I26-W151 HydrophobicContact CD1-CZ2 4.29Å; N147-W151 WeakPolarHBondContact O-CB 3.43Å; N147-W151 PolarHBondContact O-N 2.67Å; N147-W151 VanDerWaalsContact O-N 3.09Å; E148-W151 PolarHBondContact O-N 3.37Å; F149-W151 VanDerWaalsContact C-N 3.31Å; F149-W151 PolarHBondContact O-N 3.43Å; W151-L153 VanDerWaalsContact C-N 3.31Å; W151-L153 PolarHBondContact O-N 3.14Å; W151-E154 PolarHBondContact O-N 3.12Å; W151-V155 HydrophobicContact CD2-CG2 4.06Å; W151-V155 HydrophobicContact CH2-CG2 4.23Å; W151-V155 HydrophobicContact CZ2-CG2 3.67Å; W151-V155 WeakPolarHBondContact O-CG2 3.41Å; W151-V155 PolarHBondContact O-N 3.16Å
152	C	75.5	Confident	72.3	Confident	59 Å²	59	70.8 Å²	70.8	40%	0.399	36%	0.363	S	S	.	.	H	α-helix	trans	-61	-41.2	176.2	-69.1	0	0	0	0	111.8	E148 F149 D150 V155 L156	E148-C152 PolarHBondContact O-N 3.46Å; E148-C152 PolarHBondContact O-SG 3.07Å; F149-C152 WeakPolarHBondContact O-CB 3.3Å; F149-C152 PolarHBondContact O-N 2.74Å; F149-C152 VanDerWaalsContact O-N 3.14Å; D150-C152 PolarHBondContact O-N 3.5Å; C152-V155 PolarHBondContact O-N 3.48Å; C152-L156 WeakPolarHBondContact O-CB 3.47Å; C152-L156 WeakPolarHBondContact O-CG 3.4Å; C152-L156 PolarHBondContact O-N 2.83Å
153	L	75.4	Confident	71.7	Confident	17 Å²	17	77.1 Å²	77.1	9%	0.089	38%	0.384	C	S	.	.	H	α-helix	trans	-65	-43.3	176.9	-74.4	174.6	0	0	0	112	L91 L94 R98 F149 D150 W151 V155 L156 D157	L91-L153 HydrophobicContact CD1-CD2 3.97Å; L94-L153 HydrophobicContact CB-CD2 3.72Å; L94-L153 HydrophobicContact CD1-CD2 4.4Å; R98-L153 HydrophobicContact CB-CD1 4.3Å; R98-L153 HydrophobicContact CG-CD1 4.29Å; F149-L153 HydrophobicContact CD1-CD1 3.73Å; F149-L153 HydrophobicContact CD1-CG 3.94Å; F149-L153 HydrophobicContact CE1-CD1 3.77Å; F149-L153 HydrophobicContact CE1-CD2 4.23Å; F149-L153 HydrophobicContact CE1-CG 3.91Å; F149-L153 PolarHBondContact O-N 3.44Å; D150-L153 PolarHBondContact O-N 3.43Å; W151-L153 VanDerWaalsContact C-N 3.31Å; W151-L153 PolarHBondContact O-N 3.14Å; L153-V155 VanDerWaalsContact C-N 3.34Å; L153-V155 PolarHBondContact O-N 3.45Å; L153-L156 PolarHBondContact O-N 3.42Å; L153-D157 WeakPolarHBondContact O-CB 3.4Å; L153-D157 PolarHBondContact O-N 3.22Å
154	E	75.6	Confident	71.3	Confident	138 Å²	138	76.4 Å²	76.4	65%	0.645	39%	0.385	S	S	*	.	H	α-helix	trans	-60.3	-43.7	174.9	-74.9	179.3	174.3	0	0	111.9	D150 W151 D157 S158	D150-E154 WeakPolarHBondContact O-CG 3.35Å; D150-E154 PolarHBondContact O-N 3.19Å; W151-E154 PolarHBondContact O-N 3.12Å; E154-D157 PolarHBondContact O-N 3.03Å; E154-S158 WeakPolarHBondContact O-CB 3.32Å; E154-S158 PolarHBondContact O-N 3.23Å; E154-S158 PolarHBondContact O-OG 3.04Å
155	V	70.6	Confident	70.8	Confident	39 Å²	39	73 Å²	73	24%	0.236	37%	0.372	C	S	.	.	H	α-helix	trans	-62.9	-47.6	176.5	171.9	0	0	0	0	110.4	W151 C152 L153 D157 S158 L159	W151-V155 HydrophobicContact CD2-CG2 4.06Å; W151-V155 HydrophobicContact CH2-CG2 4.23Å; W151-V155 HydrophobicContact CZ2-CG2 3.67Å; W151-V155 WeakPolarHBondContact O-CG2 3.41Å; W151-V155 PolarHBondContact O-N 3.16Å; C152-V155 PolarHBondContact O-N 3.48Å; L153-V155 VanDerWaalsContact C-N 3.34Å; L153-V155 PolarHBondContact O-N 3.45Å; V155-D157 VanDerWaalsContact C-N 3.33Å; V155-D157 PolarHBondContact O-N 3.47Å; V155-S158 WeakPolarHBondContact CA-OG 3.33Å; V155-S158 PolarHBondContact O-N 3.38Å; V155-S158 VanDerWaalsContact O-N 3.17Å; V155-S158 PolarHBondContact O-OG 3.34Å; V155-L159 HydrophobicContact CG1-CD1 3.75Å; V155-L159 HydrophobicContact CG1-CG 4.2Å; V155-L159 WeakPolarHBondContact O-CB 3.5Å; V155-L159 VanDerWaalsContact O-CG 3.26Å; V155-L159 WeakPolarHBondContact O-CG 3.3Å; V155-L159 PolarHBondContact O-N 3.01Å
156	L	70.4	Confident	70.1	Confident	58 Å²	58	72 Å²	72	30%	0.304	37%	0.37	S	S	.	.	H	α-helix	trans	-60.5	-40.9	177.7	-75.1	172	0	0	0	112.4	F87 L94 C152 L153 S158 L159	F87-L156 HydrophobicContact CZ-CB 4.38Å; F87-L156 WeakPolarHBondContact CZ-O 3.34Å; L94-L156 HydrophobicContact CD1-CD1 3.72Å; C152-L156 WeakPolarHBondContact O-CB 3.47Å; C152-L156 WeakPolarHBondContact O-CG 3.4Å; C152-L156 PolarHBondContact O-N 2.83Å; L153-L156 PolarHBondContact O-N 3.42Å; L156-S158 VanDerWaalsContact C-N 3.34Å; L156-L159 PolarHBondContact O-N 3.03Å
157	D	72.4	Confident	69.3	Low	67 Å²	67	73.2 Å²	73.2	36%	0.358	38%	0.379	S	S	.	.	H	α-helix	trans	-66.4	-38	176.5	-154.1	44.6	0	0	0	111	L153 E154 V155 L159 Q160	L153-D157 WeakPolarHBondContact O-CB 3.4Å; L153-D157 PolarHBondContact O-N 3.22Å; E154-D157 PolarHBondContact O-N 3.03Å; V155-D157 VanDerWaalsContact C-N 3.33Å; V155-D157 PolarHBondContact O-N 3.47Å; D157-L159 PolarHBondContact O-N 3.14Å; D157-Q160 WeakPolarHBondContact O-CB 3.44Å; D157-Q160 VanDerWaalsContact O-CG 3.32Å; D157-Q160 WeakPolarHBondContact O-CG 3.26Å; D157-Q160 PolarHBondContact O-N 3.27Å; D157-Q160 PolarHBondContact OD1-NE2 3.41Å
158	S	71.3	Confident	68.8	Low	81 Å²	81	71 Å²	71	57%	0.566	37%	0.367	S	S	*	.	H	α-helix	trans	-69.7	-28.3	175.8	76.6	0	0	0	0	114	E154 V155 L156 Q160	E154-S158 WeakPolarHBondContact O-CB 3.32Å; E154-S158 PolarHBondContact O-N 3.23Å; E154-S158 PolarHBondContact O-OG 3.04Å; V155-S158 WeakPolarHBondContact CA-OG 3.33Å; V155-S158 PolarHBondContact O-N 3.38Å; V155-S158 VanDerWaalsContact O-N 3.17Å; V155-S158 PolarHBondContact O-OG 3.34Å; L156-S158 VanDerWaalsContact C-N 3.34Å; S158-Q160 PolarHBondContact O-N 2.82Å
159	L	65.3	Low	68.3	Low	58 Å²	58	67.8 Å²	67.8	30%	0.304	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	4.9	178.3	-71.3	174.1	0	0	0	113.5	M29 M33 V155 L156 D157 S161 S164	M29-L159 HydrophobicContact CE-CD1 4.48Å; M29-L159 HydrophobicContact CE-CD2 3.67Å; M33-L159 HydrophobicContact CE-CD2 4.3Å; V155-L159 HydrophobicContact CG1-CD1 3.75Å; V155-L159 HydrophobicContact CG1-CG 4.2Å; V155-L159 WeakPolarHBondContact O-CB 3.5Å; V155-L159 VanDerWaalsContact O-CG 3.26Å; V155-L159 WeakPolarHBondContact O-CG 3.3Å; V155-L159 PolarHBondContact O-N 3.01Å; L156-L159 PolarHBondContact O-N 3.03Å; D157-L159 PolarHBondContact O-N 3.14Å; L159-S161 PolarHBondContact O-N 2.87Å; L159-S164 PolarHBondContact O-OG 2.96Å
160	Q	62.3	Low	67.6	Low	77 Å²	77	71.4 Å²	71.4	36%	0.36	37%	0.366	S	S	.	.			trans	-69	63.7	173.4	-70	178.4	13.6	0	0	111.8	F87 D157 S158 K162 V165	F87-Q160 HydrophobicContact CD1-CG 4.29Å; F87-Q160 HydrophobicContact CE1-CG 3.58Å; F87-Q160 HydrophobicContact CZ-CG 3.96Å; D157-Q160 WeakPolarHBondContact O-CB 3.44Å; D157-Q160 VanDerWaalsContact O-CG 3.32Å; D157-Q160 WeakPolarHBondContact O-CG 3.26Å; D157-Q160 PolarHBondContact O-N 3.27Å; D157-Q160 PolarHBondContact OD1-NE2 3.41Å; S158-Q160 PolarHBondContact O-N 2.82Å; Q160-K162 PolarHBondContact O-N 3.44Å; Q160-V165 HydrophobicContact CB-CG2 4.26Å; Q160-V165 HydrophobicContact CG-CG2 4.23Å
161	S	61.4	Low	66.9	Low	45 Å²	45	75.2 Å²	75.2	32%	0.315	38%	0.384	S	S	.	.			trans	-63.6	136.8	161.2	82	0	0	0	0	108.1	L159 R163 S164 V165	L159-S161 PolarHBondContact O-N 2.87Å; S161-R163 PolarHBondContact O-N 3.34Å; S161-S164 PolarHBondContact O-N 3.45Å; S161-S164 PolarHBondContact O-OG 3.29Å; S161-S164 VanDerWaalsContact OG-CB 3.25Å; S161-S164 WeakPolarHBondContact OG-CB 3.39Å; S161-S164 PolarHBondContact OG-N 3.41Å; S161-S164 VanDerWaalsContact OG-N 3.08Å; S161-S164 PolarHBondContact OG-OG 2.96Å; S161-V165 PolarHBondContact O-N 3.07Å
162	K	60.1	Low	66.4	Low	193 Å²	193	74.6 Å²	74.6	84%	0.839	38%	0.384	S	S	*	.	H	α-helix	trans	-52.9	-40.3	178.5	-69.2	179.3	-179.5	175.3	0	111.1	Q160 S166	Q160-K162 PolarHBondContact O-N 3.44Å; K162-S166 WeakPolarHBondContact O-CB 3.35Å; K162-S166 PolarHBondContact O-N 3.3Å; K162-S166 PolarHBondContact O-OG 2.9Å
163	R	57.6	Low	66	Low	153 Å²	153	75.6 Å²	75.6	58%	0.577	39%	0.385	S	S	*	.	H	α-helix	trans	-65.8	-50.6	-179.2	-67.3	-169.4	-178.4	178.4	2.4	112.4	S161 V165 S166 S167 D265	S161-R163 PolarHBondContact O-N 3.34Å; R163-V165 PolarHBondContact O-N 3.05Å; R163-S166 WeakPolarHBondContact CA-OG 3.26Å; R163-S166 PolarHBondContact O-N 3.02Å; R163-S166 PolarHBondContact O-OG 2.88Å; R163-S167 WeakPolarHBondContact O-CB 3.23Å; R163-S167 PolarHBondContact O-N 2.86Å; R163-D265 IonicContact CZ-OD1 3.19Å; R163-D265 IonicContact CZ-OD2 3.52Å; R163-D265 VanDerWaalsContact CZ-OD2 3.27Å; R163-D265 IonicContact NE-OD1 2.76Å; R163-D265 IonicContact NE-OD2 3.51Å; R163-D265 IonicContact NH1-OD1 3.69Å; R163-D265 IonicContact NH1-OD2 2.65Å; R163-D265 PolarHBondContact NH1-OD2 3.15Å; R163-D265 IonicContact NH2-OD1 3.65Å; R163-D265 IonicContact NH2-OD2 2.71Å
164	S	65.6	Low	65.5	Low	60 Å²	60	79.7 Å²	79.7	42%	0.42	40%	0.399	S	S	.	.	H	α-helix	trans	-62.5	-42.7	-178.1	64.6	0	0	0	0	113.6	L159 S161 L168	L159-S164 PolarHBondContact O-OG 2.96Å; S161-S164 PolarHBondContact O-N 3.45Å; S161-S164 PolarHBondContact O-OG 3.29Å; S161-S164 VanDerWaalsContact OG-CB 3.25Å; S161-S164 WeakPolarHBondContact OG-CB 3.39Å; S161-S164 PolarHBondContact OG-N 3.41Å; S161-S164 VanDerWaalsContact OG-N 3.08Å; S161-S164 PolarHBondContact OG-OG 2.96Å; S164-L168 PolarHBondContact O-N 3.31Å; S164-L168 VanDerWaalsContact O-N 3.15Å
165	V	64.1	Low	65	Low	29 Å²	29	76.7 Å²	76.7	18%	0.176	39%	0.393	C	S	.	.	H	α-helix	trans	-70	-40	178.5	178.7	0	0	0	0	111.3	F87 Q160 S161 R163 L168 T169	F87-V165 HydrophobicContact CB-CG1 4.04Å; F87-V165 HydrophobicContact CD1-CG2 4.28Å; F87-V165 HydrophobicContact CD2-CG2 4.48Å; F87-V165 HydrophobicContact CG-CG1 4.46Å; F87-V165 HydrophobicContact CG-CG2 4.15Å; Q160-V165 HydrophobicContact CB-CG2 4.26Å; Q160-V165 HydrophobicContact CG-CG2 4.23Å; S161-V165 PolarHBondContact O-N 3.07Å; R163-V165 PolarHBondContact O-N 3.05Å; V165-L168 PolarHBondContact O-N 3.5Å; V165-T169 PolarHBondContact O-N 3.13Å; V165-T169 VanDerWaalsContact O-N 3.11Å; V165-T169 PolarHBondContact O-OG1 3.15Å
166	S	59.3	Low	64.8	Low	40 Å²	40	78.2 Å²	78.2	28%	0.28	40%	0.4	S	S	.	.	H	α-helix	trans	-65.1	-42.5	177	71.6	0	0	0	0	111.6	K162 R163 L168 T169 R170	K162-S166 WeakPolarHBondContact O-CB 3.35Å; K162-S166 PolarHBondContact O-N 3.3Å; K162-S166 PolarHBondContact O-OG 2.9Å; R163-S166 WeakPolarHBondContact CA-OG 3.26Å; R163-S166 PolarHBondContact O-N 3.02Å; R163-S166 PolarHBondContact O-OG 2.88Å; S166-L168 PolarHBondContact O-N 2.87Å; S166-T169 WeakPolarHBondContact O-CB 3.46Å; S166-T169 PolarHBondContact O-N 2.83Å; S166-T169 VanDerWaalsContact O-N 3.16Å; S166-R170 VanDerWaalsContact CB-NH1 3.3Å; S166-R170 WeakPolarHBondContact O-CG 3.32Å; S166-R170 PolarHBondContact O-N 3.41Å; S166-R170 PolarHBondContact OG-NH1 3.06Å
167	S	62.1	Low	64.6	Low	40 Å²	40	78.9 Å²	78.9	28%	0.28	40%	0.403	S	S	.	.	H	α-helix	trans	-58.8	-48.3	175.3	174.3	0	0	0	0	111.8	R163 T169 R170 M171	R163-S167 WeakPolarHBondContact O-CB 3.23Å; R163-S167 PolarHBondContact O-N 2.86Å; S167-T169 PolarHBondContact O-N 3.26Å; S167-R170 PolarHBondContact O-N 2.96Å; S167-R170 VanDerWaalsContact O-N 3.15Å; S167-M171 WeakPolarHBondContact O-CG 3.32Å; S167-M171 PolarHBondContact O-N 3.45Å
168	L	65	Low	64.4	Low	68 Å²	68	78.3 Å²	78.3	36%	0.356	40%	0.404	S	S	.	.	H	α-helix	trans	-60.1	-36.5	177.1	-165.6	73.6	0	0	0	112.3	P86 F87 S164 V165 S166 K172	P86-L168 HydrophobicContact CB-CD2 3.82Å; P86-L168 HydrophobicContact CB-CG 4.08Å; P86-L168 HydrophobicContact CG-CB 4.33Å; P86-L168 HydrophobicContact CG-CD2 3.86Å; P86-L168 HydrophobicContact CG-CG 3.7Å; P86-L168 WeakPolarHBondContact CG-O 3.32Å; F87-L168 HydrophobicContact CB-CD2 4.04Å; S164-L168 PolarHBondContact O-N 3.31Å; S164-L168 VanDerWaalsContact O-N 3.15Å; V165-L168 PolarHBondContact O-N 3.5Å; S166-L168 PolarHBondContact O-N 2.87Å; L168-K172 PolarHBondContact O-N 2.78Å; L168-K172 VanDerWaalsContact O-N 3.12Å
169	T	65.4	Low	64.2	Low	30 Å²	30	80.3 Å²	80.3	18%	0.184	41%	0.405	C	S	.	.	H	α-helix	trans	-69.9	-45.8	176.6	-54.4	0	0	0	0	111.2	T85 V165 S166 S167 K172 L173	T85-T169 WeakPolarHBondContact CB-OG1 3.4Å; T85-T169 HydrophobicContact CG2-CG2 3.96Å; V165-T169 PolarHBondContact O-N 3.13Å; V165-T169 VanDerWaalsContact O-N 3.11Å; V165-T169 PolarHBondContact O-OG1 3.15Å; S166-T169 WeakPolarHBondContact O-CB 3.46Å; S166-T169 PolarHBondContact O-N 2.83Å; S166-T169 VanDerWaalsContact O-N 3.16Å; S167-T169 PolarHBondContact O-N 3.26Å; T169-K172 PolarHBondContact O-N 3.03Å; T169-L173 HydrophobicContact CG2-CD1 4.08Å; T169-L173 HydrophobicContact CG2-CG 4.48Å; T169-L173 WeakPolarHBondContact O-CB 3.34Å; T169-L173 WeakPolarHBondContact O-CG 3.43Å; T169-L173 PolarHBondContact O-N 3.15Å
170	R	64.2	Low	64.2	Low	122 Å²	122	83.8 Å²	83.8	46%	0.46	42%	0.419	S	S	.	.	H	α-helix	trans	-58.9	-46.3	174.8	-74.8	-167.1	-64.8	-86.7	3.1	111.2	S166 S167 K172 L173 R174	S166-R170 VanDerWaalsContact CB-NH1 3.3Å; S166-R170 WeakPolarHBondContact O-CG 3.32Å; S166-R170 PolarHBondContact O-N 3.41Å; S166-R170 PolarHBondContact OG-NH1 3.06Å; S167-R170 PolarHBondContact O-N 2.96Å; S167-R170 VanDerWaalsContact O-N 3.15Å; R170-K172 PolarHBondContact O-N 2.87Å; R170-L173 PolarHBondContact O-N 3.46Å; R170-R174 VanDerWaalsContact O-CB 3.29Å; R170-R174 WeakPolarHBondContact O-CB 3.25Å; R170-R174 PolarHBondContact O-N 2.97Å
171	M	65	Low	64.3	Low	126 Å²	126	81.8 Å²	81.8	62%	0.621	41%	0.411	S	S	*	.	H	α-helix	trans	-58.7	-45	176.1	-73.6	-174	73.8	0	0	112.4	S167 R174 S175	S167-M171 WeakPolarHBondContact O-CG 3.32Å; S167-M171 PolarHBondContact O-N 3.45Å; M171-R174 PolarHBondContact O-N 3.41Å; M171-S175 WeakPolarHBondContact O-CB 3.5Å; M171-S175 PolarHBondContact O-N 3.47Å
172	K	65.7	Low	64.4	Low	67 Å²	67	81.9 Å²	81.9	29%	0.291	42%	0.415	S	S	.	.	H	α-helix	trans	-64.4	-44.4	176.5	-175.1	178.9	-176.1	-179.3	0	111.4	P86 L168 T169 R170 S175 L176	P86-K172 HydrophobicContact CB-CD 3.84Å; P86-K172 HydrophobicContact CG-CB 3.93Å; P86-K172 HydrophobicContact CG-CD 3.66Å; P86-K172 HydrophobicContact CG-CG 4.45Å; L168-K172 PolarHBondContact O-N 2.78Å; L168-K172 VanDerWaalsContact O-N 3.12Å; T169-K172 PolarHBondContact O-N 3.03Å; R170-K172 PolarHBondContact O-N 2.87Å; K172-S175 PolarHBondContact O-N 3.1Å; K172-L176 HydrophobicContact CG-CD1 4.06Å; K172-L176 HydrophobicContact CG-CG 4.45Å; K172-L176 WeakPolarHBondContact O-CB 3.24Å; K172-L176 VanDerWaalsContact O-CG 3.28Å; K172-L176 WeakPolarHBondContact O-CG 3.2Å; K172-L176 PolarHBondContact O-N 2.84Å
173	L	67.4	Low	64.6	Low	80 Å²	80	74.5 Å²	74.5	42%	0.419	39%	0.389	S	S	.	.	H	α-helix	trans	-61.6	-43.8	176.3	-73.2	171.4	0	0	0	111.3	L83 T169 R170 S175 L176 L177	L83-L173 HydrophobicContact CD2-CD2 4.49Å; T169-L173 HydrophobicContact CG2-CD1 4.08Å; T169-L173 HydrophobicContact CG2-CG 4.48Å; T169-L173 WeakPolarHBondContact O-CB 3.34Å; T169-L173 WeakPolarHBondContact O-CG 3.43Å; T169-L173 PolarHBondContact O-N 3.15Å; R170-L173 PolarHBondContact O-N 3.46Å; L173-S175 PolarHBondContact O-N 3.33Å; L173-L176 PolarHBondContact O-N 3.23Å; L173-L177 VanDerWaalsContact O-CB 3.23Å; L173-L177 WeakPolarHBondContact O-CB 3.18Å; L173-L177 PolarHBondContact O-N 3.34Å
174	R	64.4	Low	64.5	Low	102 Å²	102	69.9 Å²	69.9	39%	0.385	38%	0.381	S	S	.	.	H	α-helix	trans	-59.6	-45.4	175.5	-177.4	173.8	-176.9	179.4	7.1	111.5	R170 M171 S178 L260	R170-R174 VanDerWaalsContact O-CB 3.29Å; R170-R174 WeakPolarHBondContact O-CB 3.25Å; R170-R174 PolarHBondContact O-N 2.97Å; M171-R174 PolarHBondContact O-N 3.41Å; R174-S178 VanDerWaalsContact O-CB 3.26Å; R174-S178 WeakPolarHBondContact O-CB 3.27Å; R174-S178 PolarHBondContact O-N 3.47Å; R174-S178 PolarHBondContact O-OG 3.25Å; R174-L260 HydrophobicContact CB-CD2 4.1Å; R174-L260 HydrophobicContact CG-CB 4.27Å; R174-L260 HydrophobicContact CG-CD1 4.32Å; R174-L260 HydrophobicContact CG-CD2 4.02Å; R174-L260 HydrophobicContact CG-CG 4.44Å; R174-L260 PolarHBondContact NE-O 2.92Å; R174-L260 PolarHBondContact NH1-O 2.85Å; R174-L260 PolarHBondContact NH2-O 2.9Å; R174-L260 VanDerWaalsContact NH2-O 3.15Å
175	S	65.4	Low	63.6	Low	75 Å²	75	70 Å²	70	52%	0.524	37%	0.374	S	S	.	.	H	α-helix	trans	-64.7	-44.1	177.1	-176.9	0	0	0	0	112.1	M171 K172 L173 S178 Q179	M171-S175 WeakPolarHBondContact O-CB 3.5Å; M171-S175 PolarHBondContact O-N 3.47Å; K172-S175 PolarHBondContact O-N 3.1Å; L173-S175 PolarHBondContact O-N 3.33Å; S175-S178 PolarHBondContact O-N 3.16Å; S175-Q179 WeakPolarHBondContact O-CB 3.41Å; S175-Q179 PolarHBondContact O-N 3.42Å
176	L	67.1	Low	63	Low	72 Å²	72	73.6 Å²	73.6	38%	0.377	39%	0.392	S	S	.	.	H	α-helix	trans	-64.9	-45.5	178.3	-72.9	172.3	0	0	0	111.2	K172 L173 Q179 E180	K172-L176 HydrophobicContact CG-CD1 4.06Å; K172-L176 HydrophobicContact CG-CG 4.45Å; K172-L176 WeakPolarHBondContact O-CB 3.24Å; K172-L176 VanDerWaalsContact O-CG 3.28Å; K172-L176 WeakPolarHBondContact O-CG 3.2Å; K172-L176 PolarHBondContact O-N 2.84Å; L173-L176 PolarHBondContact O-N 3.23Å; L176-Q179 PolarHBondContact O-N 2.94Å; L176-E180 WeakPolarHBondContact O-CG 3.48Å; L176-E180 PolarHBondContact O-N 3.12Å
177	L	65.9	Low	62.5	Low	72 Å²	72	77.8 Å²	77.8	38%	0.377	41%	0.407	S	S	.	.	H	α-helix	trans	-62.4	-45.6	177.1	-176.2	63.1	0	0	0	110.8	L173 Q179 E180 L181 L260	L173-L177 VanDerWaalsContact O-CB 3.23Å; L173-L177 WeakPolarHBondContact O-CB 3.18Å; L173-L177 PolarHBondContact O-N 3.34Å; L177-Q179 VanDerWaalsContact C-N 3.3Å; L177-Q179 PolarHBondContact O-N 3.27Å; L177-E180 PolarHBondContact O-N 3.16Å; L177-L181 HydrophobicContact CD1-CD1 4.35Å; L177-L181 HydrophobicContact CD1-CG 4.3Å; L177-L181 HydrophobicContact CG-CD1 4.01Å; L177-L181 HydrophobicContact CG-CG 4.38Å; L177-L181 VanDerWaalsContact O-CB 3.3Å; L177-L181 WeakPolarHBondContact O-CB 3.22Å; L177-L181 WeakPolarHBondContact O-CG 3.14Å; L177-L181 PolarHBondContact O-N 3.07Å; L177-L260 HydrophobicContact CD2-CD1 3.89Å; L177-L260 HydrophobicContact CD2-CD2 4.32Å
178	S	67.8	Low	61.6	Low	54 Å²	54	77.9 Å²	77.9	38%	0.378	41%	0.408	S	S	.	.	H	α-helix	trans	-60.9	-40.1	177	-59.3	0	0	0	0	111.9	R174 S175 A182	R174-S178 VanDerWaalsContact O-CB 3.26Å; R174-S178 WeakPolarHBondContact O-CB 3.27Å; R174-S178 PolarHBondContact O-N 3.47Å; R174-S178 PolarHBondContact O-OG 3.25Å; S175-S178 PolarHBondContact O-N 3.16Å; S178-A182 VanDerWaalsContact O-CB 3.31Å; S178-A182 WeakPolarHBondContact O-CB 3.09Å; S178-A182 PolarHBondContact O-N 3.12Å
179	Q	68.1	Low	60.4	Low	124 Å²	124	78 Å²	78	58%	0.579	41%	0.409	S	S	*	.	H	α-helix	trans	-67.3	-44.9	176.8	-176.7	178.6	-8.7	0	0	112.1	S175 L176 L177 A182 A183	S175-Q179 WeakPolarHBondContact O-CB 3.41Å; S175-Q179 PolarHBondContact O-N 3.42Å; L176-Q179 PolarHBondContact O-N 2.94Å; L177-Q179 VanDerWaalsContact C-N 3.3Å; L177-Q179 PolarHBondContact O-N 3.27Å; Q179-A182 PolarHBondContact O-N 3.02Å; Q179-A183 VanDerWaalsContact O-CB 3.32Å; Q179-A183 WeakPolarHBondContact O-CB 3.29Å; Q179-A183 PolarHBondContact O-N 3.49Å
180	E	63.8	Low	59.4	Low	130 Å²	130	80.6 Å²	80.6	61%	0.607	42%	0.422	S	S	*	.	H	α-helix	trans	-66.4	-40.6	177.7	-75.8	-61	163.9	0	0	111.7	L176 L177 A183 S184	L176-E180 WeakPolarHBondContact O-CG 3.48Å; L176-E180 PolarHBondContact O-N 3.12Å; L177-E180 PolarHBondContact O-N 3.16Å; E180-A183 PolarHBondContact O-N 3.3Å; E180-S184 VanDerWaalsContact O-CB 3.31Å; E180-S184 WeakPolarHBondContact O-CB 3.43Å; E180-S184 PolarHBondContact O-N 3.28Å; E180-S184 PolarHBondContact O-OG 3.44Å
181	L	64.2	Low	58.3	Low	35 Å²	35	82 Å²	82	18%	0.183	43%	0.431	C	S	.	.	H	α-helix	trans	-58.2	-52.4	171.6	-71.6	175.1	0	0	0	109.8	L177 A183 S184 F185 C252	L177-L181 HydrophobicContact CD1-CD1 4.35Å; L177-L181 HydrophobicContact CD1-CG 4.3Å; L177-L181 HydrophobicContact CG-CD1 4.01Å; L177-L181 HydrophobicContact CG-CG 4.38Å; L177-L181 VanDerWaalsContact O-CB 3.3Å; L177-L181 WeakPolarHBondContact O-CB 3.22Å; L177-L181 WeakPolarHBondContact O-CG 3.14Å; L177-L181 PolarHBondContact O-N 3.07Å; L181-A183 VanDerWaalsContact C-N 3.33Å; L181-A183 PolarHBondContact O-N 3.47Å; L181-S184 PolarHBondContact O-N 3.21Å; L181-S184 PolarHBondContact O-OG 3.03Å; L181-F185 WeakPolarHBondContact O-CD2 3.32Å; L181-F185 PolarHBondContact O-N 3.26Å; L181-C252 VanDerWaalsContact CD2-SG 3.54Å
182	A	65	Low	57.1	Low	48 Å²	48	80.9 Å²	80.9	40%	0.397	43%	0.427	S	S	.	.	H	α-helix	trans	-59.3	-39.8	177.5	0	0	0	0	0	113.3	S178 Q179 F185 N186	S178-A182 VanDerWaalsContact O-CB 3.31Å; S178-A182 WeakPolarHBondContact O-CB 3.09Å; S178-A182 PolarHBondContact O-N 3.12Å; Q179-A182 PolarHBondContact O-N 3.02Å; A182-F185 PolarHBondContact O-N 3.17Å; A182-N186 PolarHBondContact O-N 3.08Å; A182-N186 PolarHBondContact O-ND2 3.01Å
183	A	63.8	Low	55.9	Low	37 Å²	37	82.3 Å²	82.3	31%	0.306	44%	0.436	S	S	.	.	H	α-helix	trans	-67.5	-40.2	177	0	0	0	0	0	112.3	Q179 E180 L181 F185 N186 Q187	Q179-A183 VanDerWaalsContact O-CB 3.32Å; Q179-A183 WeakPolarHBondContact O-CB 3.29Å; Q179-A183 PolarHBondContact O-N 3.49Å; E180-A183 PolarHBondContact O-N 3.3Å; L181-A183 VanDerWaalsContact C-N 3.33Å; L181-A183 PolarHBondContact O-N 3.47Å; A183-F185 VanDerWaalsContact C-N 3.3Å; A183-F185 PolarHBondContact O-N 2.98Å; A183-N186 PolarHBondContact O-N 2.94Å; A183-Q187 PolarHBondContact O-N 3.13Å
184	S	54.4	Low	54.5	Low	57 Å²	57	86 Å²	86	40%	0.399	45%	0.449	S	S	.	.	H	α-helix	trans	-64.7	-34.1	175.5	77.6	0	0	0	0	112.2	E180 L181 S188	E180-S184 VanDerWaalsContact O-CB 3.31Å; E180-S184 WeakPolarHBondContact O-CB 3.43Å; E180-S184 PolarHBondContact O-N 3.28Å; E180-S184 PolarHBondContact O-OG 3.44Å; L181-S184 PolarHBondContact O-N 3.21Å; L181-S184 PolarHBondContact O-OG 3.03Å; S184-S188 PolarHBondContact O-N 3.02Å; S184-S188 VanDerWaalsContact O-N 3.12Å; S184-S188 PolarHBondContact O-OG 3.06Å
185	F	46.8	Very low	53.3	Low	63 Å²	63	90.1 Å²	90.1	28%	0.276	47%	0.47	S	S	.	.	H	α-helix	trans	-68.6	-37.5	171.8	-78.5	-63.9	0	0	0	112.7	L181 A182 A183 S188 N189 C247	L181-F185 WeakPolarHBondContact O-CD2 3.32Å; L181-F185 PolarHBondContact O-N 3.26Å; A182-F185 PolarHBondContact O-N 3.17Å; A183-F185 VanDerWaalsContact C-N 3.3Å; A183-F185 PolarHBondContact O-N 2.98Å; F185-S188 WeakPolarHBondContact CA-OG 3.31Å; F185-S188 PolarHBondContact O-OG 2.78Å; F185-N189 WeakPolarHBondContact O-CB 3.5Å; F185-N189 PolarHBondContact O-N 2.65Å; F185-N189 VanDerWaalsContact O-N 3.1Å; F185-N189 PolarHBondContact O-ND2 3.06Å; F185-C247 WeakPolarHBondContact CE1-O 3.4Å
186	N	51.8	Low	52	Low	104 Å²	104	92.6 Å²	92.6	56%	0.556	48%	0.477	S	S	*	.	H	α-helix	trans	-71.5	-36.5	176.6	-72.2	-28.5	0	0	0	112.3	A182 A183 N189 D190	A182-N186 PolarHBondContact O-N 3.08Å; A182-N186 PolarHBondContact O-ND2 3.01Å; A183-N186 PolarHBondContact O-N 2.94Å; N186-N189 PolarHBondContact O-N 3.34Å; N186-D190 WeakPolarHBondContact O-CB 3.3Å; N186-D190 PolarHBondContact O-N 3.22Å
187	Q	48.2	Very low	50.3	Low	127 Å²	127	92.4 Å²	92.4	59%	0.593	48%	0.482	S	S	*	.	H	α-helix	trans	-70.6	-32	175.7	-74.7	-173.7	16.2	0	0	113.6	A183 K191	A183-Q187 PolarHBondContact O-N 3.13Å; Q187-K191 WeakPolarHBondContact O-CG 3.21Å; Q187-K191 PolarHBondContact O-N 2.96Å; Q187-K191 VanDerWaalsContact O-N 3.14Å
188	S	44.2	Very low	48.7	Very low	42 Å²	42	97 Å²	97	29%	0.294	51%	0.506	S	S	.	.	H	α-helix	trans	-72.3	-38.7	174.7	43	0	0	0	0	111.4	S184 F185 K191 I192	S184-S188 PolarHBondContact O-N 3.02Å; S184-S188 VanDerWaalsContact O-N 3.12Å; S184-S188 PolarHBondContact O-OG 3.06Å; F185-S188 WeakPolarHBondContact CA-OG 3.31Å; F185-S188 PolarHBondContact O-OG 2.78Å; S188-K191 PolarHBondContact O-N 3.19Å; S188-I192 WeakPolarHBondContact O-CD1 3.37Å; S188-I192 VanDerWaalsContact O-CG1 3.31Å; S188-I192 WeakPolarHBondContact O-CG1 3.32Å; S188-I192 PolarHBondContact O-N 2.97Å
189	N	40.5	Very low	47	Very low	72 Å²	72	103.7 Å²	103.7	39%	0.385	53%	0.528	S	S	.	.	H	α-helix	trans	-66.5	-40.1	171.5	-77.3	-31	0	0	0	112.8	F185 N186 K191 I192 I193	F185-N189 WeakPolarHBondContact O-CB 3.5Å; F185-N189 PolarHBondContact O-N 2.65Å; F185-N189 VanDerWaalsContact O-N 3.1Å; F185-N189 PolarHBondContact O-ND2 3.06Å; N186-N189 PolarHBondContact O-N 3.34Å; N189-K191 VanDerWaalsContact C-N 3.34Å; N189-K191 PolarHBondContact O-N 3.24Å; N189-I192 PolarHBondContact O-N 3.42Å; N189-I193 HydrophobicContact CB-CD1 4.5Å; N189-I193 WeakPolarHBondContact O-CB 3.35Å; N189-I193 WeakPolarHBondContact O-CD1 3.41Å; N189-I193 WeakPolarHBondContact O-CG1 3.38Å; N189-I193 PolarHBondContact O-N 3.15Å
190	D	42.8	Very low	45.3	Very low	83 Å²	83	107.8 Å²	107.8	44%	0.444	54%	0.544	S	S	.	.	H	α-helix	trans	-66.4	-32	176.5	-96.3	-11	0	0	0	113.4	N186 I192 K194	N186-D190 WeakPolarHBondContact O-CB 3.3Å; N186-D190 PolarHBondContact O-N 3.22Å; D190-I192 VanDerWaalsContact C-N 3.35Å; D190-K194 VanDerWaalsContact O-CB 3.24Å; D190-K194 WeakPolarHBondContact O-CB 3.46Å; D190-K194 WeakPolarHBondContact O-CG 3.48Å; D190-K194 PolarHBondContact O-N 2.78Å
191	K	42.1	Very low	43.5	Very low	153 Å²	153	106.6 Å²	106.6	67%	0.665	55%	0.55	S	S	*	*	H	α-helix	trans	-72.7	-28.2	174.4	-76.7	176.4	-178.1	174.7	0	112.5	Q187 S188 N189	Q187-K191 WeakPolarHBondContact O-CG 3.21Å; Q187-K191 PolarHBondContact O-N 2.96Å; Q187-K191 VanDerWaalsContact O-N 3.14Å; S188-K191 PolarHBondContact O-N 3.19Å; N189-K191 VanDerWaalsContact C-N 3.34Å; N189-K191 PolarHBondContact O-N 3.24Å
192	I	40.1	Very low	41.8	Very low	102 Å²	102	110.6 Å²	110.6	52%	0.523	58%	0.576	S	S	.	*	H	α-helix	trans	-79.2	-40	174.5	-65.8	167	0	0	0	110.1	S188 N189 D190 K195	S188-I192 WeakPolarHBondContact O-CD1 3.37Å; S188-I192 VanDerWaalsContact O-CG1 3.31Å; S188-I192 WeakPolarHBondContact O-CG1 3.32Å; S188-I192 PolarHBondContact O-N 2.97Å; N189-I192 PolarHBondContact O-N 3.42Å; D190-I192 VanDerWaalsContact C-N 3.35Å; I192-K195 PolarHBondContact O-N 3.4Å
193	I	39.5	Very low	39.9	Very low	97 Å²	97	114.2 Å²	114.2	50%	0.497	59%	0.593	S	S	.	*	H	α-helix	trans	-69.8	-39.7	178.8	-66.3	164.1	0	0	0	111.2	N189 K195 D196 S197	N189-I193 HydrophobicContact CB-CD1 4.5Å; N189-I193 WeakPolarHBondContact O-CB 3.35Å; N189-I193 WeakPolarHBondContact O-CD1 3.41Å; N189-I193 WeakPolarHBondContact O-CG1 3.38Å; N189-I193 PolarHBondContact O-N 3.15Å; I193-K195 PolarHBondContact O-N 3.49Å; I193-D196 PolarHBondContact O-N 3.15Å; I193-D196 VanDerWaalsContact O-N 3.11Å; I193-S197 VanDerWaalsContact O-CB 3.29Å; I193-S197 WeakPolarHBondContact O-CB 3.45Å; I193-S197 PolarHBondContact O-N 2.88Å; I193-S197 PolarHBondContact O-OG 3.43Å
194	K	39	Very low	38.3	Very low	157 Å²	157	118.3 Å²	118.3	68%	0.683	62%	0.615	S	S	*	*	H	α-helix	trans	-66.3	-16.3	177.4	-77.3	174.4	-178.4	171	0	114.6	D190	D190-K194 VanDerWaalsContact O-CB 3.24Å; D190-K194 WeakPolarHBondContact O-CB 3.46Å; D190-K194 WeakPolarHBondContact O-CG 3.48Å; D190-K194 PolarHBondContact O-N 2.78Å
195	K	39.1	Very low	36.9	Very low	188 Å²	188	121.8 Å²	121.8	82%	0.817	63%	0.634	S	S	*	*	H	α-helix	trans	-85.4	-22.4	173.4	-108.6	179.8	177	176.2	0	113.4	I192 I193	I192-K195 PolarHBondContact O-N 3.4Å; I193-K195 PolarHBondContact O-N 3.49Å
196	D	37	Very low	36	Very low	128 Å²	128	127 Å²	127	68%	0.684	66%	0.659	S	S	*	*	H	α-helix	trans	-106.5	-8.6	-180	-88	-11.6	0	0	0	113.6	I193 L198 R240	I193-D196 PolarHBondContact O-N 3.15Å; I193-D196 VanDerWaalsContact O-N 3.11Å; D196-L198 PolarHBondContact O-N 3.43Å; D196-R240 IonicContact OD2-NH2 2.78Å
197	S	32.2	Very low	34.8	Very low	68 Å²	68	130 Å²	130	48%	0.476	68%	0.675	S	S	.	*			trans	-101.5	58.4	-176.5	71	0	0	0	0	113.8	I193	I193-S197 VanDerWaalsContact O-CB 3.29Å; I193-S197 WeakPolarHBondContact O-CB 3.45Å; I193-S197 PolarHBondContact O-N 2.88Å; I193-S197 PolarHBondContact O-OG 3.43Å
198	L	32.4	Very low	33.8	Very low	168 Å²	168	130 Å²	130	88%	0.88	68%	0.683	S	S	*	*			trans	-99.1	55.4	158.6	-154.7	91.1	0	0	0	109.3	D196	D196-L198 PolarHBondContact O-N 3.43Å
199	K	32.9	Very low	32.9	Very low	195 Å²	195	138.8 Å²	138.8	85%	0.848	71%	0.71	S	S	*	*	S	Bend	trans	-172	116.5	167.2	-104.8	156	-169.6	-177.1	0	110.5
200	K	31.8	Very low	32.2	Very low	210 Å²	210	145.4 Å²	145.4	91%	0.913	74%	0.736	S	S	*	*			trans	74.7	103.5	163.3	-69.8	-176.9	174.1	-178	0	118.7
201	S	25.7	Very low	31.5	Very low	105 Å²	105	148 Å²	148	73%	0.734	75%	0.749	S	S	*	*			trans	-54.7	140.5	158.8	-157.1	0	0	0	0	113.2
202	T	27.6	Very low	30.9	Very low	118 Å²	118	148.1 Å²	148.1	72%	0.724	76%	0.757	S	S	*	*				162	123.5	106.3	27.1	0	0	0	0	113.6
203	T	26.9	Very low	30.3	Very low	124 Å²	124	150 Å²	150	76%	0.761	77%	0.768	S	S	*	*			trans	52.7	114.9	143.6	39.8	0	0	0	0	121.2
204	T	28.3	Very low	29.6	Very low	123 Å²	123	152.1 Å²	152.1	76%	0.755	79%	0.785	S	S	*	*				165.1	126.2	86.4	-47.9	0	0	0	0	109.7
205	T	25.3	Very low	29.1	Very low	130 Å²	130	153 Å²	153	80%	0.798	80%	0.796	S	S	*	*			trans	-86.9	125.8	179	42.3	0	0	0	0	111.9
206	H	28.6	Very low	28.5	Very low	174 Å²	174	153.1 Å²	153.1	81%	0.806	80%	0.797	S	S	*	*			trans	-126.1	119.6	158.2	-98.6	-70.7	0	0	0	109.6
207	N	26.2	Very low	28	Very low	166 Å²	166	154.2 Å²	154.2	89%	0.888	80%	0.803	S	S	*	*			trans	-69	123.7	173.5	-73.1	-28.3	0	0	0	109.8
208	V	28.3	Very low	27.9	Very low	127 Å²	127	156.8 Å²	156.8	77%	0.77	82%	0.821	S	S	*	*			trans	-117.1	121.4	170.5	177.8	0	0	0	0	108.4
209	R	24.8	Very low	27.5	Very low	227 Å²	227	154.9 Å²	154.9	86%	0.857	82%	0.821	S	S	*	*			trans	-60.7	130.9	169	-108	174.2	170.5	160.5	-5.3	109.1	D211	R209-D211 PolarHBondContact O-N 2.93Å
210	F	26.3	Very low	27.2	Very low	211 Å²	211	152.9 Å²	152.9	93%	0.925	82%	0.819	S	S	*	*			trans	-83.2	100.6	170.1	-108.6	-94.5	0	0	0	108.3
211	D	27.5	Very low	27	Very low	137 Å²	137	150.4 Å²	150.4	73%	0.733	82%	0.815	S	S	*	*			trans	-103.7	143.3	157.5	-73.1	-33.3	0	0	0	108.2	R209	R209-D211 PolarHBondContact O-N 2.93Å
212	D	28.3	Very low	27.1	Very low	155 Å²	155	151.8 Å²	151.8	83%	0.829	82%	0.819	S	S	*	*	S	Bend	trans	-58.6	153.7	-171.9	-138.4	-19	0	0	0	112.9
213	L	27.9	Very low	27.1	Very low	142 Å²	142	154.3 Å²	154.3	74%	0.743	82%	0.822	S	S	*	*			trans	79.9	82.6	176.2	-53	156	0	0	0	117.3
214	T	26	Very low	27.2	Very low	141 Å²	141	154.5 Å²	154.5	87%	0.865	82%	0.819	S	S	*	*			trans	-162.7	87.5	143.5	32.2	0	0	0	0	111.9
215	L	27.3	Very low	27.3	Very low	175 Å²	175	156.5 Å²	156.5	92%	0.916	82%	0.819	S	S	*	*			trans	-126.8	74.6	159.2	-101.3	161	0	0	0	108.8
216	K	26.3	Very low	27.6	Very low	191 Å²	191	157.1 Å²	157.1	83%	0.83	82%	0.818	S	S	*	*			trans	-128.7	143.5	158.2	-93.5	-176.2	177.2	177.4	0	108.3
217	N	27.9	Very low	27.6	Very low	151 Å²	151	155.8 Å²	155.8	81%	0.807	82%	0.816	S	S	*	*			trans	96.6	97.7	169.8	-51.7	-21.3	0	0	0	115.2
218	S	28.8	Very low	27.7	Very low	122 Å²	122	154.5 Å²	154.5	85%	0.853	81%	0.81	S	S	*	*				-179.3	89.3	120.6	-73.7	0	0	0	0	110.2
219	S	24.3	Very low	27.8	Very low	128 Å²	128	155.2 Å²	155.2	90%	0.895	81%	0.809	S	S	*	*			trans	-138	97.8	153.5	-82.5	0	0	0	0	107.2
220	L	27.2	Very low	28.1	Very low	154 Å²	154	153.4 Å²	153.4	81%	0.806	81%	0.808	S	S	*	*			trans	-129.7	114.9	167.7	-100.2	153.5	0	0	0	107.6
221	L	28.4	Very low	28.1	Very low	158 Å²	158	155.4 Å²	155.4	83%	0.827	81%	0.809	S	S	*	*			trans	76.5	112.1	143.5	-55.1	173.1	0	0	0	119.7
222	V	26.1	Very low	28.3	Very low	134 Å²	134	153.3 Å²	153.3	81%	0.812	81%	0.805	S	S	*	*			trans	-98.3	124.2	154.1	173.1	0	0	0	0	107.5
223	H	29.2	Very low	28.4	Very low	170 Å²	170	151.2 Å²	151.2	79%	0.787	79%	0.794	S	S	*	*			trans	169.9	138.7	154.7	-96	-61.6	0	0	0	104.5
224	D	28.6	Very low	28.5	Very low	129 Å²	129	151 Å²	151	69%	0.69	79%	0.792	S	S	*	*			cis	-168.1	169.8	-7.6	-141.6	-31.2	0	0	0	104.2
225	Q	29.6	Very low	28.8	Very low	164 Å²	164	148.7 Å²	148.7	77%	0.766	78%	0.782	S	S	*	*			trans	86.8	123.2	160.3	-66.7	173.9	-11.1	0	0	121.7
226	D	31.4	Very low	29.1	Very low	143 Å²	143	146.6 Å²	146.6	77%	0.765	77%	0.767	S	S	*	*			trans	90.5	86.7	136.9	-64.8	-12.4	0	0	0	121.1	N228	D226-N228 PolarHBondContact O-N 3.45Å
227	N	28.3	Very low	29.3	Very low	146 Å²	146	142.7 Å²	142.7	78%	0.781	75%	0.754	S	S	*	*			trans	-16.5	113.7	132.8	-76.6	-36.2	0	0	0	114.9
228	N	30.1	Very low	29.6	Very low	139 Å²	139	141.9 Å²	141.9	74%	0.743	75%	0.746	S	S	*	*				170.1	148.2	100.5	-92	-46.4	0	0	0	111.7	D226	D226-N228 PolarHBondContact O-N 3.45Å
229	N	30.5	Very low	29.9	Very low	143 Å²	143	143 Å²	143	77%	0.765	74%	0.735	S	S	*	*			trans	94.9	113.9	158	-69.3	-32.3	0	0	0	119.7
230	K	30.3	Very low	30.1	Very low	188 Å²	188	144 Å²	144	82%	0.817	72%	0.719	S	S	*	*			trans	98	78.6	146.4	-67.8	172.2	179.4	178.7	0	117.2	S232	K230-S232 PolarHBondContact O-N 3.26Å; K230-S232 VanDerWaalsContact O-N 3.13Å
231	R	27.1	Very low	30.2	Very low	254 Å²	254	144.2 Å²	144.2	96%	0.958	71%	0.714	S	S	*	*				-0.8	95.1	122.5	-89.8	179.4	169.1	170.9	-2.5	114.3
232	S	30	Very low	30.5	Very low	93 Å²	93	144 Å²	144	65%	0.65	71%	0.709	S	S	*	*			trans	173	130.6	137.8	51.9	0	0	0	0	106.9	K230	K230-S232 PolarHBondContact O-N 3.26Å; K230-S232 VanDerWaalsContact O-N 3.13Å
233	N	32.2	Very low	30.7	Very low	110 Å²	110	144.8 Å²	144.8	59%	0.588	70%	0.703	S	S	*	*	S	Bend	trans	112	3.1	172.7	-55.1	-26.5	0	0	0	118.4	S235	N233-S235 VanDerWaalsContact C-N 3.26Å; N233-S235 PolarHBondContact O-N 2.73Å
234	I	29.7	Very low	30.7	Very low	138 Å²	138	144.2 Å²	144.2	71%	0.708	70%	0.699	S	S	*	*	H	α-helix	trans	-78.1	-4.8	177.7	-66.4	173.1	0	0	0	113.4
235	S	31	Very low	30.7	Very low	93 Å²	93	149.1 Å²	149.1	65%	0.65	71%	0.707	S	S	*	*	H	α-helix	trans	-97.8	0.4	176.5	57.9	0	0	0	0	115.7	N233	N233-S235 VanDerWaalsContact C-N 3.26Å; N233-S235 PolarHBondContact O-N 2.73Å
236	Q	33.3	Very low	30.7	Very low	130 Å²	130	146 Å²	146	61%	0.607	70%	0.704	S	S	*	*	H	α-helix	trans	-112.2	-18.3	176.9	-77.8	-176.5	-13.3	0	0	114.2	R240	Q236-R240 WeakPolarHBondContact O-CB 3.39Å; Q236-R240 WeakPolarHBondContact O-CG 3.25Å; Q236-R240 PolarHBondContact O-N 3.44Å
237	I	32	Very low	30.6	Very low	109 Å²	109	143 Å²	143	56%	0.559	69%	0.693	S	S	*	*	H	α-helix	trans	-91.2	-27.5	-178.9	-64.2	172.1	0	0	0	111.8	K241	I237-K241 WeakPolarHBondContact O-CG 3.1Å; I237-K241 PolarHBondContact O-N 3.07Å; I237-K241 VanDerWaalsContact O-N 3.12Å
238	Q	34.2	Very low	30.9	Very low	134 Å²	134	144.2 Å²	144.2	63%	0.626	69%	0.687	S	S	*	*	H	α-helix	trans	-77.3	-31.5	169.1	-81.6	173.7	-39.1	0	0	112.7	K241 Q242	Q238-K241 PolarHBondContact O-N 3.34Å; Q238-Q242 PolarHBondContact O-N 2.76Å
239	K	34.5	Very low	31.5	Very low	145 Å²	145	140.1 Å²	140.1	63%	0.63	67%	0.669	S	S	*	*	H	α-helix	trans	-70.9	-32.4	169.7	-83.5	-175.1	173.6	-177.3	0	113	Q242 Q243	K239-Q242 PolarHBondContact O-N 2.9Å; K239-Q243 WeakPolarHBondContact O-CB 3.17Å; K239-Q243 PolarHBondContact O-N 3.07Å
240	R	29.2	Very low	32	Very low	151 Å²	151	141.6 Å²	141.6	57%	0.57	67%	0.671	S	S	*	*	H	α-helix	trans	-74	-27.6	172.9	-79.9	178.4	168.5	-175.9	-6.9	113.7	D196 Q236 F244	D196-R240 IonicContact OD2-NH2 2.78Å; Q236-R240 WeakPolarHBondContact O-CB 3.39Å; Q236-R240 WeakPolarHBondContact O-CG 3.25Å; Q236-R240 PolarHBondContact O-N 3.44Å; R240-F244 WeakPolarHBondContact O-CB 3.46Å; R240-F244 WeakPolarHBondContact O-CD2 3.46Å; R240-F244 PolarHBondContact O-N 3.46Å
241	K	29.6	Very low	32.3	Very low	157 Å²	157	136.8 Å²	136.8	68%	0.683	66%	0.658	S	S	*	*	H	α-helix	trans	-77	-20.3	171.9	-76.2	-175.8	175.9	-174.5	0	113.9	I237 Q238	I237-K241 WeakPolarHBondContact O-CG 3.1Å; I237-K241 PolarHBondContact O-N 3.07Å; I237-K241 VanDerWaalsContact O-N 3.12Å; Q238-K241 PolarHBondContact O-N 3.34Å
242	Q	33.8	Very low	32.8	Very low	155 Å²	155	126 Å²	126	72%	0.724	62%	0.621	S	S	*	*	H	α-helix	trans	-90	-28	170.8	-86	174.7	-24.1	0	0	113.4	Q238 K239	Q238-Q242 PolarHBondContact O-N 2.76Å; K239-Q242 PolarHBondContact O-N 2.9Å
243	Q	30.2	Very low	33.3	Very low	150 Å²	150	124.8 Å²	124.8	70%	0.701	61%	0.605	S	S	*	*	H	α-helix	trans	-80.3	-15.4	173.3	-89	170.4	-32.5	0	0	114.6	K239	K239-Q243 WeakPolarHBondContact O-CB 3.17Å; K239-Q243 PolarHBondContact O-N 3.07Å
244	F	28.3	Very low	33.7	Very low	157 Å²	157	126.6 Å²	126.6	69%	0.689	61%	0.605	S	S	*	*	S	Bend	trans	-93.6	-4.2	177.4	-97.5	-91.6	0	0	0	115.2	R240	R240-F244 WeakPolarHBondContact O-CB 3.46Å; R240-F244 WeakPolarHBondContact O-CD2 3.46Å; R240-F244 PolarHBondContact O-N 3.46Å
245	R	29.2	Very low	34.2	Very low	232 Å²	232	122.9 Å²	122.9	88%	0.875	59%	0.586	S	S	*	*	S	Bend	trans	-92.9	-0.2	171.4	-82.5	-176	164.6	-172.7	-4.7	113.6
246	S	29.7	Very low	34.6	Very low	99 Å²	99	120.5 Å²	120.5	69%	0.692	57%	0.568	S	S	*	*	S	Bend	trans	-103.3	12.1	-169.8	-172.9	0	0	0	0	114.9
247	C	29.3	Very low	35.1	Very low	80 Å²	80	120.4 Å²	120.4	54%	0.541	57%	0.566	S	S	.	*			trans	-122.2	27.1	-178.4	-145.7	0	0	0	0	114	F185	F185-C247 WeakPolarHBondContact CE1-O 3.4Å
248	R	33.9	Very low	35.5	Very low	172 Å²	172	117.2 Å²	117.2	65%	0.649	55%	0.551	S	S	*	*	S	Bend	trans	-91	112.5	145	-98.4	173.4	158.5	-162.7	-5.3	104.4	Q250 E253	R248-Q250 PolarHBondContact O-N 3.48Å; R248-E253 WeakPolarHBondContact CD-OE2 3.35Å; R248-E253 IonicContact CZ-OE1 2.77Å; R248-E253 IonicContact CZ-OE2 2.77Å; R248-E253 IonicContact NE-OE2 2.91Å; R248-E253 IonicContact NH1-OE1 3.74Å; R248-E253 PolarHBondContact NH1-OE1 2.77Å; R248-E253 IonicContact NH1-OE2 3.38Å; R248-E253 PolarHBondContact NH1-OE2 3.38Å; R248-E253 IonicContact NH2-OE1 3.6Å
249	S	44.2	Very low	35.5	Very low	53 Å²	53	117.8 Å²	117.8	37%	0.371	55%	0.552	S	S	.	*			trans	-60	114.4	164.2	177.4	0	0	0	0	105.6	V251 C252 E253	S249-V251 PolarHBondContact O-N 2.96Å; S249-V251 VanDerWaalsContact OG-CB 3.25Å; S249-V251 WeakPolarHBondContact OG-CB 3.48Å; S249-V251 PolarHBondContact OG-N 2.93Å; S249-C252 WeakPolarHBondContact O-CA 3.47Å; S249-C252 PolarHBondContact O-N 3.48Å; S249-E253 PolarHBondContact O-N 3.44Å; S249-E253 VanDerWaalsContact O-N 3.13Å
250	Q	40.6	Very low	35.8	Very low	173 Å²	173	112.3 Å²	112.3	81%	0.808	53%	0.53	S	S	*	.	H	α-helix	trans	-49	-30.5	170.4	-86.4	166.1	-42.7	0	0	109.8	R248 E253 Y254	R248-Q250 PolarHBondContact O-N 3.48Å; Q250-E253 PolarHBondContact O-N 3.45Å; Q250-Y254 WeakPolarHBondContact O-CA 3.36Å; Q250-Y254 WeakPolarHBondContact O-CB 3.12Å; Q250-Y254 PolarHBondContact O-N 2.97Å
251	V	35.6	Very low	36.1	Very low	87 Å²	87	111.1 Å²	111.1	53%	0.527	53%	0.531	S	S	.	.	H	α-helix	trans	-65.2	-36.8	173.1	-168.4	0	0	0	0	112.9	S249 I255	S249-V251 PolarHBondContact O-N 2.96Å; S249-V251 VanDerWaalsContact OG-CB 3.25Å; S249-V251 WeakPolarHBondContact OG-CB 3.48Å; S249-V251 PolarHBondContact OG-N 2.93Å; V251-I255 HydrophobicContact CG1-CD1 3.71Å; V251-I255 HydrophobicContact CG1-CG1 4.27Å; V251-I255 WeakPolarHBondContact O-CB 3.39Å; V251-I255 WeakPolarHBondContact O-CD1 3.42Å; V251-I255 WeakPolarHBondContact O-CG1 3.49Å; V251-I255 PolarHBondContact O-N 3.12Å
252	C	37.5	Very low	36.6	Very low	29 Å²	29	110.4 Å²	110.4	20%	0.196	53%	0.53	C	S	.	.	H	α-helix	trans	-75.3	-37.5	174.6	-73.3	0	0	0	0	112.9	L181 S249 Y254 I255 C256	L181-C252 VanDerWaalsContact CD2-SG 3.54Å; S249-C252 WeakPolarHBondContact O-CA 3.47Å; S249-C252 PolarHBondContact O-N 3.48Å; C252-Y254 VanDerWaalsContact C-N 3.34Å; C252-I255 PolarHBondContact O-N 3.46Å; C252-C256 VanDerWaalsContact O-CB 3.3Å; C252-C256 WeakPolarHBondContact O-CB 3.13Å; C252-C256 PolarHBondContact O-N 3.43Å; C252-C256 PolarHBondContact O-SG 3.18Å
253	E	41.6	Very low	36.5	Very low	66 Å²	66	109.2 Å²	109.2	31%	0.308	53%	0.528	S	S	.	.	H	α-helix	trans	-69.1	-37.1	175.3	-173	165.1	-166.2	0	0	111.1	R248 S249 Q250 K257	R248-E253 WeakPolarHBondContact CD-OE2 3.35Å; R248-E253 IonicContact CZ-OE1 2.77Å; R248-E253 IonicContact CZ-OE2 2.77Å; R248-E253 IonicContact NE-OE2 2.91Å; R248-E253 IonicContact NH1-OE1 3.74Å; R248-E253 PolarHBondContact NH1-OE1 2.77Å; R248-E253 IonicContact NH1-OE2 3.38Å; R248-E253 PolarHBondContact NH1-OE2 3.38Å; R248-E253 IonicContact NH2-OE1 3.6Å; S249-E253 PolarHBondContact O-N 3.44Å; S249-E253 VanDerWaalsContact O-N 3.13Å; Q250-E253 PolarHBondContact O-N 3.45Å; E253-K257 VanDerWaalsContact O-CB 3.3Å; E253-K257 WeakPolarHBondContact O-CB 3.16Å; E253-K257 WeakPolarHBondContact O-CG 3.31Å; E253-K257 PolarHBondContact O-N 3.11Å
254	Y	39.9	Very low	36.9	Very low	149 Å²	149	108.1 Å²	108.1	58%	0.584	53%	0.527	S	S	*	.	H	α-helix	trans	-64.4	-52.5	169.5	-173.3	-99.9	0	0	0	110.6	Q250 C252 C256 K257 T258	Q250-Y254 WeakPolarHBondContact O-CA 3.36Å; Q250-Y254 WeakPolarHBondContact O-CB 3.12Å; Q250-Y254 PolarHBondContact O-N 2.97Å; C252-Y254 VanDerWaalsContact C-N 3.34Å; Y254-C256 VanDerWaalsContact C-N 3.29Å; Y254-C256 PolarHBondContact O-N 3.02Å; Y254-K257 PolarHBondContact O-N 3.42Å; Y254-T258 HydrophobicContact CE1-CG2 4.25Å; Y254-T258 WeakPolarHBondContact O-CB 3.46Å; Y254-T258 PolarHBondContact O-N 3.45Å; Y254-T258 PolarHBondContact O-OG1 3.16Å
255	I	41.2	Very low	37.1	Very low	60 Å²	60	104.8 Å²	104.8	31%	0.308	52%	0.517	S	S	.	.	H	α-helix	trans	-58.8	-40.5	178.7	-72.9	166.1	0	0	0	112	V251 C252 F259	V251-I255 HydrophobicContact CG1-CD1 3.71Å; V251-I255 HydrophobicContact CG1-CG1 4.27Å; V251-I255 WeakPolarHBondContact O-CB 3.39Å; V251-I255 WeakPolarHBondContact O-CD1 3.42Å; V251-I255 WeakPolarHBondContact O-CG1 3.49Å; V251-I255 PolarHBondContact O-N 3.12Å; C252-I255 PolarHBondContact O-N 3.46Å; I255-F259 HydrophobicContact CB-CD2 4.38Å; I255-F259 HydrophobicContact CG1-CD2 4.31Å; I255-F259 HydrophobicContact CG2-CD2 4.24Å; I255-F259 WeakPolarHBondContact O-CB 3.4Å; I255-F259 PolarHBondContact O-N 3.07Å
256	C	38.4	Very low	37.6	Very low	42 Å²	42	98.2 Å²	98.2	28%	0.284	50%	0.499	S	S	.	.	H	α-helix	trans	-70.2	-32.5	176.5	-71.6	0	0	0	0	113.5	C252 Y254 L260 E261	C252-C256 VanDerWaalsContact O-CB 3.3Å; C252-C256 WeakPolarHBondContact O-CB 3.13Å; C252-C256 PolarHBondContact O-N 3.43Å; C252-C256 PolarHBondContact O-SG 3.18Å; Y254-C256 VanDerWaalsContact C-N 3.29Å; Y254-C256 PolarHBondContact O-N 3.02Å; C256-L260 HydrophobicContact CB-CD1 4.2Å; C256-L260 WeakPolarHBondContact O-CB 3.39Å; C256-L260 PolarHBondContact O-N 2.84Å; C256-E261 PolarHBondContact O-N 3.4Å
257	K	45	Very low	37.7	Very low	129 Å²	129	101.3 Å²	101.3	56%	0.561	50%	0.502	S	S	*	.	H	α-helix	trans	-78.2	-41.4	175.7	-88.4	-176.7	166.8	-175.5	0	113	E253 Y254	E253-K257 VanDerWaalsContact O-CB 3.3Å; E253-K257 WeakPolarHBondContact O-CB 3.16Å; E253-K257 WeakPolarHBondContact O-CG 3.31Å; E253-K257 PolarHBondContact O-N 3.11Å; Y254-K257 PolarHBondContact O-N 3.42Å
258	T	39.4	Very low	37.6	Very low	41 Å²	41	104.1 Å²	104.1	25%	0.252	51%	0.512	S	S	.	.	H	α-helix	trans	-88.4	-27.2	-170.5	-46.7	0	0	0	0	112.7	Y254	Y254-T258 HydrophobicContact CE1-CG2 4.25Å; Y254-T258 WeakPolarHBondContact O-CB 3.46Å; Y254-T258 PolarHBondContact O-N 3.45Å; Y254-T258 PolarHBondContact O-OG1 3.16Å
259	F	35.2	Very low	37.6	Very low	146 Å²	146	102.1 Å²	102.1	64%	0.64	52%	0.519	S	S	*	.	S	Bend	trans	-121.7	-7.4	-176.9	-62.4	-77.4	0	0	0	114.6	I255	I255-F259 HydrophobicContact CB-CD2 4.38Å; I255-F259 HydrophobicContact CG1-CD2 4.31Å; I255-F259 HydrophobicContact CG2-CD2 4.24Å; I255-F259 WeakPolarHBondContact O-CB 3.4Å; I255-F259 PolarHBondContact O-N 3.07Å
260	L	39.2	Very low	36.9	Very low	30 Å²	30	105.4 Å²	105.4	16%	0.157	53%	0.532	C	S	.	.	S	Bend	trans	-123.4	-6.8	-175.9	-53.4	173.1	0	0	0	113.7	R174 L177 C256	R174-L260 HydrophobicContact CB-CD2 4.1Å; R174-L260 HydrophobicContact CG-CB 4.27Å; R174-L260 HydrophobicContact CG-CD1 4.32Å; R174-L260 HydrophobicContact CG-CD2 4.02Å; R174-L260 HydrophobicContact CG-CG 4.44Å; R174-L260 PolarHBondContact NE-O 2.92Å; R174-L260 PolarHBondContact NH1-O 2.85Å; R174-L260 PolarHBondContact NH2-O 2.9Å; R174-L260 VanDerWaalsContact NH2-O 3.15Å; L177-L260 HydrophobicContact CD2-CD1 3.89Å; L177-L260 HydrophobicContact CD2-CD2 4.32Å; C256-L260 HydrophobicContact CB-CD1 4.2Å; C256-L260 WeakPolarHBondContact O-CB 3.39Å; C256-L260 PolarHBondContact O-N 2.84Å
261	E	35.9	Very low	36.5	Very low	127 Å²	127	104.6 Å²	104.6	59%	0.593	53%	0.533	S	S	*	.	S	Bend	trans	-117.4	57.3	174.5	-72.3	-170.4	167.4	0	0	111.9	C256	C256-E261 PolarHBondContact O-N 3.4Å
262	E	39.3	Very low	36.2	Very low	142 Å²	142	106.3 Å²	106.3	66%	0.664	54%	0.539	S	S	*	.			trans	-140	102.1	172	-66.6	-179.7	176.5	0	0	108.9
263	D	33.7	Very low	36	Very low	129 Å²	129	114 Å²	114	69%	0.69	57%	0.572	S	S	*	*			trans	-115.8	75.9	155.6	-76.4	-46.2	0	0	0	104.9
264	D	38.1	Very low	35.8	Very low	127 Å²	127	119.7 Å²	119.7	68%	0.679	60%	0.599	S	S	*	*	S	Bend	trans	-143.2	124	152.9	-80.6	-48.1	0	0	0	104.9	D266	D264-D266 PolarHBondContact O-N 2.95Å
265	D	33	Very low	35.3	Very low	88 Å²	88	120.2 Å²	120.2	47%	0.471	61%	0.612	S	S	.	*			trans	-58.5	131.3	175.1	-69.1	-61.3	0	0	0	108.3	R163	R163-D265 IonicContact CZ-OD1 3.19Å; R163-D265 IonicContact CZ-OD2 3.52Å; R163-D265 VanDerWaalsContact CZ-OD2 3.27Å; R163-D265 IonicContact NE-OD1 2.76Å; R163-D265 IonicContact NE-OD2 3.51Å; R163-D265 IonicContact NH1-OD1 3.69Å; R163-D265 IonicContact NH1-OD2 2.65Å; R163-D265 PolarHBondContact NH1-OD2 3.15Å; R163-D265 IonicContact NH2-OD1 3.65Å; R163-D265 IonicContact NH2-OD2 2.71Å
266	D	38.1	Very low	35	Very low	94 Å²	94	125.1 Å²	125.1	50%	0.503	64%	0.639	S	S	.	*				166	162.3	110.2	-80.5	-50.5	0	0	0	113.6	D264 I499	D264-D266 PolarHBondContact O-N 2.95Å; D266-I499 HydrophobicContact CB-CD1 3.2Å; D266-I499 HydrophobicContact CB-CG1 4.02Å; D266-I499 VanDerWaalsContact OD2-CD1 3.26Å; D266-I499 WeakPolarHBondContact OD2-CD1 3.41Å; D266-I499 WeakPolarHBondContact OD2-CG1 3.3Å
267	E	32.4	Very low	34.8	Very low	164 Å²	164	130.9 Å²	130.9	77%	0.766	67%	0.667	S	S	*	*			trans	-69.9	146.1	-167.1	-58.7	178.9	155.5	0	0	113
268	D	28.1	Very low	34.2	Very low	139 Å²	139	128 Å²	128	74%	0.743	67%	0.674	S	S	*	*			trans	60.4	117	151.9	-53.5	-28.1	0	0	0	119.8
269	V	33.4	Very low	34	Very low	130 Å²	130	134.1 Å²	134.1	79%	0.788	71%	0.705	S	S	*	*				176.2	121.5	100.4	162.1	0	0	0	0	109
270	D	29	Very low	33.8	Very low	122 Å²	122	131.5 Å²	131.5	65%	0.652	71%	0.71	S	S	*	*			trans	-53.7	132.3	167.2	-164	2.6	0	0	0	111.2
271	N	32.9	Very low	33.6	Very low	155 Å²	155	139 Å²	139	83%	0.829	74%	0.744	S	S	*	*			trans	-161.5	101.9	147.5	-95.4	-37.6	0	0	0	110.9
272	N	29.7	Very low	33.3	Very low	123 Å²	123	141.4 Å²	141.4	66%	0.658	76%	0.755	S	S	*	*			trans	-52.3	135.4	161.2	-63.7	-65.7	0	0	0	111.5
273	H	33.3	Very low	33.1	Very low	192 Å²	192	141 Å²	141	89%	0.889	76%	0.758	S	S	*	*			trans	-141.1	115.6	139.2	-104.6	-42.9	0	0	0	109.9
274	E	35.7	Very low	32.9	Very low	185 Å²	185	141.4 Å²	141.4	86%	0.864	76%	0.76	S	S	*	*			trans	-71.1	126.7	168.2	-64.3	177.6	152.9	0	0	109
275	D	30.2	Very low	32.7	Very low	160 Å²	160	140.1 Å²	140.1	86%	0.856	76%	0.761	S	S	*	*			trans	-74.3	123.6	162.5	-66	-48	0	0	0	108.6
276	D	34.7	Very low	32.6	Very low	163 Å²	163	144.9 Å²	144.9	87%	0.872	78%	0.778	S	S	*	*			trans	-120.9	111.1	160.2	-160.7	24.2	0	0	0	108.6
277	D	33.6	Very low	32.2	Very low	163 Å²	163	145 Å²	145	87%	0.872	79%	0.786	S	S	*	*			trans	-75.2	125.9	174.7	-80.9	-44.2	0	0	0	109.7
278	G	33.3	Very low	32.2	Very low	69 Å²	69	144.4 Å²	144.4	71%	0.711	79%	0.786	S	S	*	*			trans	-153.9	89.6	176.2	0	0	0	0	0	113.3
279	D	34.5	Very low	32.2	Very low	168 Å²	168	143 Å²	143	90%	0.898	79%	0.787	S	S	*	*			trans	17.6	129.8	154	-63.9	-37.4	0	0	0	122.3
280	A	31.4	Very low	32.2	Very low	91 Å²	91	142.7 Å²	142.7	75%	0.752	79%	0.791	S	S	*	*			trans	-3.8	131.3	150.3	0	0	0	0	0	119.9
281	E	34.6	Very low	32.3	Very low	189 Å²	189	145.2 Å²	145.2	88%	0.883	80%	0.798	S	S	*	*				178.5	159.3	99.8	-94.4	-166.1	-179.9	0	0	112.3
282	E	30.8	Very low	32.3	Very low	176 Å²	176	145.4 Å²	145.4	82%	0.822	80%	0.799	S	S	*	*			trans	-55.6	144.2	-177.5	-60.9	169.5	139.2	0	0	114.2
283	D	34.3	Very low	32.3	Very low	133 Å²	133	144.9 Å²	144.9	71%	0.711	80%	0.802	S	S	*	*				166.1	129.8	101.1	-118.9	-27.9	0	0	0	113.7
284	N	30.6	Very low	32.2	Very low	139 Å²	139	141 Å²	141	74%	0.743	80%	0.797	S	S	*	*			trans	34.4	116.3	141.3	-79.1	-50.2	0	0	0	122.8
285	S	32.8	Very low	32	Very low	100 Å²	100	138.3 Å²	138.3	70%	0.699	79%	0.793	S	S	*	*				119.3	127.7	111.6	74.7	0	0	0	0	120.2
286	K	31.6	Very low	31.8	Very low	188 Å²	188	139.5 Å²	139.5	82%	0.817	79%	0.794	S	S	*	*			trans	79.1	100.2	138.8	-77.8	175.5	-179.1	174.8	0	121.7
287	S	29.1	Very low	31.6	Very low	97 Å²	97	141.7 Å²	141.7	68%	0.678	80%	0.796	S	S	*	*				79.5	146.4	110.5	70.9	0	0	0	0	122.3
288	I	32.5	Very low	31.2	Very low	151 Å²	151	139.1 Å²	139.1	77%	0.774	79%	0.79	S	S	*	*			trans	99.8	92.9	161	-54.3	161	0	0	0	112.6
289	S	28.4	Very low	31	Very low	109 Å²	109	143.4 Å²	143.4	76%	0.762	80%	0.795	S	S	*	*				70.7	108.9	65.7	85.5	0	0	0	0	115.9
290	S	34	Very low	30.5	Very low	123 Å²	123	142.6 Å²	142.6	86%	0.86	79%	0.786	S	S	*	*			trans	-159.3	123.8	140.5	58.3	0	0	0	0	111.8
291	H	30.4	Very low	30.4	Very low	176 Å²	176	146 Å²	146	82%	0.815	79%	0.79	S	S	*	*			trans	-56.4	151	175.6	-74.9	-67.3	0	0	0	116.1
292	N	32.1	Very low	30	Very low	159 Å²	159	143.4 Å²	143.4	85%	0.85	78%	0.783	S	S	*	*				-167.4	146.7	102.7	-100.3	-16.1	0	0	0	114.3
293	P	29.7	Very low	29.7	Very low	111 Å²	111	139.2 Å²	139.2	72%	0.721	77%	0.773	S	S	*	*			trans	-114.4	158.5	-164.4	39.4	-26	0	0	0	114.8
294	S	32.7	Very low	29.4	Very low	111 Å²	111	138.6 Å²	138.6	78%	0.776	78%	0.776	S	S	*	*			trans	-162.1	111	155.2	47.3	0	0	0	0	113.3
295	T	31.1	Very low	29.1	Very low	128 Å²	128	140.9 Å²	140.9	79%	0.785	78%	0.779	S	S	*	*			trans	58.2	96.1	144.3	31.9	0	0	0	0	119.3
296	E	26.2	Very low	28.9	Very low	185 Å²	185	141.2 Å²	141.2	86%	0.864	78%	0.781	S	S	*	*				63.3	103.4	82.3	-78.3	-170.6	166.5	0	0	116.4
297	K	29.2	Very low	28.6	Very low	210 Å²	210	141.6 Å²	141.6	91%	0.913	78%	0.783	S	S	*	*				-164.3	93.4	125.3	-102.9	176.3	-173.2	-179	0	109.7
298	S	25.8	Very low	28.5	Very low	108 Å²	108	143.8 Å²	143.8	76%	0.755	79%	0.787	S	S	*	*			trans	-79.6	122.5	168.3	49.4	0	0	0	0	110.4
299	I	28.6	Very low	28.1	Very low	159 Å²	159	148.4 Å²	148.4	82%	0.815	79%	0.794	S	S	*	*			trans	-94.5	102.9	162.7	-62.4	176.6	0	0	0	107.4
300	H	24.5	Very low	28.1	Very low	152 Å²	152	151.7 Å²	151.7	70%	0.704	80%	0.795	S	S	*	*			trans	-75.9	114.5	169.7	-123.2	-87.1	0	0	0	108.3	N302	H300-N302 PolarHBondContact ND1-OD1 2.84Å
301	L	28.9	Very low	27.8	Very low	162 Å²	162	150 Å²	150	85%	0.848	78%	0.784	S	S	*	*			trans	-105.1	96.4	161.3	-91.9	150.9	0	0	0	108.4	S303	L301-S303 PolarHBondContact O-N 3.39Å
302	N	26.5	Very low	27.6	Very low	135 Å²	135	149.6 Å²	149.6	72%	0.722	79%	0.787	S	S	*	*			trans	-67.1	112.3	171.3	-80.4	-21.2	0	0	0	109.8	H300	H300-N302 PolarHBondContact ND1-OD1 2.84Å
303	S	25.2	Very low	27.5	Very low	88 Å²	88	150.4 Å²	150.4	62%	0.615	78%	0.783	S	S	*	*			trans	-67.7	131.6	160.7	156.5	0	0	0	0	110.3	L301 K305	L301-S303 PolarHBondContact O-N 3.39Å; S303-K305 PolarHBondContact O-N 3.43Å
304	P	26.9	Very low	27.5	Very low	120 Å²	120	154.7 Å²	154.7	78%	0.779	79%	0.786	S	S	*	*			trans	-75.6	106.9	158.2	4.7	12.3	0	0	0	108	S306	P304-S306 PolarHBondContact O-N 3.2Å; P304-S306 VanDerWaalsContact O-N 3.09Å
305	K	25.3	Very low	27.5	Very low	187 Å²	187	157.2 Å²	157.2	81%	0.813	79%	0.786	S	S	*	*			trans	-71.9	90.6	166.4	-71.1	179.6	177.9	172.8	0	109.4	S303 K307	S303-K305 PolarHBondContact O-N 3.43Å; K305-K307 PolarHBondContact O-N 3.31Å
306	S	27.5	Very low	27.5	Very low	106 Å²	106	160.2 Å²	160.2	74%	0.741	79%	0.791	S	S	*	*			trans	-86.4	95.6	158.2	50	0	0	0	0	109	P304 L308	P304-S306 PolarHBondContact O-N 3.2Å; P304-S306 VanDerWaalsContact O-N 3.09Å; S306-L308 PolarHBondContact O-N 2.91Å
307	K	25.5	Very low	27.6	Very low	196 Å²	196	162.3 Å²	162.3	85%	0.852	79%	0.791	S	S	*	*			trans	-71.3	101.2	165.1	-80.8	178	174.4	175.6	0	108.4	K305	K305-K307 PolarHBondContact O-N 3.31Å
308	L	26.7	Very low	27.7	Very low	144 Å²	144	161 Å²	161	75%	0.754	79%	0.79	S	S	*	*			trans	-104.4	105.6	159.6	-81.8	164.2	0	0	0	108.6	S306 F310	S306-L308 PolarHBondContact O-N 2.91Å; L308-F310 PolarHBondContact O-N 2.93Å
309	R	24	Very low	27.9	Very low	248 Å²	248	163.6 Å²	163.6	94%	0.936	80%	0.796	S	S	*	*			trans	-68.1	118.5	164.7	-82.9	178.6	165.7	-177.2	-4.8	107.5
310	F	29.5	Very low	27.8	Very low	178 Å²	178	165.1 Å²	165.1	78%	0.781	80%	0.8	S	S	*	*			trans	-106.9	129.7	162.4	-144	-95.5	0	0	0	109.3	L308	L308-F310 PolarHBondContact O-N 2.93Å
311	S	26.5	Very low	28.1	Very low	88 Å²	88	163.3 Å²	163.3	62%	0.615	80%	0.804	S	S	*	*			trans	-83.2	133.9	-174.7	68.3	0	0	0	0	111.5	K313	S311-K313 PolarHBondContact O-N 3.34Å
312	D	26	Very low	28.1	Very low	166 Å²	166	161.5 Å²	161.5	89%	0.888	81%	0.805	S	S	*	*	S	Bend	trans	-58.8	91	169.3	-57.2	-49.7	0	0	0	111.5
313	K	30.4	Very low	28.1	Very low	177 Å²	177	163.7 Å²	163.7	77%	0.77	81%	0.811	S	S	*	*			trans	-149.3	9.9	172.1	-89	-156.7	177.1	178.4	0	117.2	S311	S311-K313 PolarHBondContact O-N 3.34Å
314	Y	30.6	Very low	28.3	Very low	200 Å²	200	165.3 Å²	165.3	78%	0.784	82%	0.817	S	S	*	*	S	Bend	trans	-119.5	-0.4	-172.3	-92.7	-85.5	0	0	0	117.6
315	E	33.1	Very low	28.4	Very low	165 Å²	165	166.4 Å²	166.4	77%	0.771	82%	0.822	S	S	*	*	S	Bend	trans	-91.6	-7	176.7	-74.8	-174.9	159.4	0	0	114.9	R317	E315-R317 PolarHBondContact O-N 2.83Å
316	E	30.2	Very low	28.4	Very low	190 Å²	190	167 Å²	167	89%	0.888	83%	0.827	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	9	-175.6	-81.9	-177	159.5	0	0	116
317	R	27.9	Very low	28.5	Very low	230 Å²	230	167.2 Å²	167.2	87%	0.868	83%	0.829	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.5	12	-171.4	-93	-172.2	-176.9	-168.7	1.7	118	E315	E315-R317 PolarHBondContact O-N 2.83Å
318	M	32.7	Very low	28.5	Very low	182 Å²	182	163.5 Å²	163.5	90%	0.897	82%	0.823	S	S	*	*	S	Bend	trans	-118.1	13.6	179.4	-73.7	-68.1	-174.5	0	0	115.3
319	N	29.3	Very low	28.6	Very low	163 Å²	163	162.5 Å²	162.5	87%	0.872	82%	0.823	S	S	*	*	S	Bend	trans	-125.2	31.5	-176.2	-92.1	-10.6	0	0	0	115.3
320	E	26.1	Very low	28.6	Very low	191 Å²	191	159.2 Å²	159.2	89%	0.893	82%	0.818	S	S	*	*			trans	-137.3	84.1	173.1	-77.7	-173.9	162.2	0	0	111.7
321	S	30.3	Very low	28.6	Very low	113 Å²	113	157.7 Å²	157.7	79%	0.79	82%	0.817	S	S	*	*	S	Bend	trans	-171	115	146.4	48.3	0	0	0	0	110.9
322	S	29.6	Very low	28.6	Very low	125 Å²	125	162.2 Å²	162.2	87%	0.874	83%	0.826	S	S	*	*			trans	118.7	74	153.1	-45.5	0	0	0	0	115.2
323	E	27.7	Very low	28.5	Very low	181 Å²	181	159.5 Å²	159.5	85%	0.846	82%	0.82	S	S	*	*			trans	-79.4	156.4	151.3	-76.4	-176	150.2	0	0	110.9
324	T	28.6	Very low	28.3	Very low	122 Å²	122	158.3 Å²	158.3	75%	0.748	83%	0.828	S	S	*	*			trans	91.6	96.9	164.2	71.9	0	0	0	0	117.9
325	T	29.2	Very low	28.2	Very low	143 Å²	143	153.9 Å²	153.9	88%	0.877	83%	0.826	S	S	*	*				174	127.7	98.4	32	0	0	0	0	111.5
326	E	24.6	Very low	28	Very low	199 Å²	199	151.1 Å²	151.1	93%	0.93	83%	0.825	S	S	*	*			trans	-73.8	137.6	174.2	-70	175.1	138	0	0	111.9
327	S	29.5	Very low	28.2	Very low	111 Å²	111	148.8 Å²	148.8	78%	0.776	82%	0.824	S	S	*	*			trans	-167.4	117.9	140.8	175.1	0	0	0	0	110.9
328	T	25.9	Very low	28.9	Very low	117 Å²	117	146.1 Å²	146.1	72%	0.718	82%	0.821	S	S	*	*			trans	-31.9	134.6	163.6	44.5	0	0	0	0	116.6
329	T	29.4	Very low	30.2	Very low	124 Å²	124	141.6 Å²	141.6	76%	0.761	80%	0.797	S	S	*	*				157.5	123.4	113.9	34.9	0	0	0	0	112.3
330	E	24.4	Very low	32.3	Very low	179 Å²	179	138.8 Å²	138.8	84%	0.836	78%	0.781	S	S	*	*			trans	55.1	159.1	150.2	-60.7	-174.1	164.9	0	0	120.4
331	L	28.2	Very low	34.9	Very low	145 Å²	145	133.1 Å²	133.1	76%	0.759	76%	0.758	S	S	*	*			trans	104.6	102.5	173.1	-53.4	163.8	0	0	0	114.1
332	K	26	Very low	37.4	Very low	183 Å²	183	132.9 Å²	132.9	80%	0.796	75%	0.751	S	S	*	*				78.2	118.9	90.8	-77.6	-177.5	-173.8	172.7	0	113.7
333	S	25.5	Very low	40.1	Very low	110 Å²	110	131 Å²	131	77%	0.769	73%	0.731	S	S	*	*			trans	55.2	101.7	159	55.8	0	0	0	0	117.6	S335	S333-S335 PolarHBondContact O-N 2.96Å
334	T	25.7	Very low	42.9	Very low	152 Å²	152	122.5 Å²	122.5	93%	0.933	69%	0.692	S	S	*	*			trans	-59.8	99.7	159.2	17.4	0	0	0	0	109.6
335	S	27.6	Very low	45.6	Very low	107 Å²	107	117 Å²	117	75%	0.748	66%	0.658	S	S	*	*			trans	-78.2	133.5	162.8	50	0	0	0	0	108.3	S333 T337	S333-S335 PolarHBondContact O-N 2.96Å; S335-T337 PolarHBondContact O-N 3.19Å
336	S	29.7	Very low	48.3	Very low	106 Å²	106	112.5 Å²	112.5	74%	0.741	63%	0.632	S	S	*	*			trans	-58.1	116.9	171.1	52.2	0	0	0	0	109.9	Q338	S336-Q338 PolarHBondContact O-N 3.32Å
337	T	34.1	Very low	51.2	Low	141 Å²	141	106.3 Å²	106.3	87%	0.865	61%	0.606	S	S	*	*			trans	-61.9	104.7	167.4	-7.6	0	0	0	0	108.3	S335 F339	S335-T337 PolarHBondContact O-N 3.19Å; T337-F339 PolarHBondContact O-N 3.35Å
338	Q	43.5	Very low	53.7	Low	174 Å²	174	101 Å²	101	81%	0.813	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-63.5	116.4	170	-79.2	177.1	-21.7	0	0	107.8	S336 N340	S336-Q338 PolarHBondContact O-N 3.32Å; Q338-N340 PolarHBondContact O-N 2.94Å
339	F	59.9	Low	56.5	Low	88 Å²	88	96 Å²	96	39%	0.386	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-68.2	119.7	171.5	-140.2	-92.1	0	0	0	106.9	T337 D341 V344 N403	T337-F339 PolarHBondContact O-N 3.35Å; F339-D341 PolarHBondContact O-N 3.21Å; F339-V344 HydrophobicContact CD1-CG2 3.29Å; F339-V344 HydrophobicContact CE1-CG2 3.63Å; F339-V344 HydrophobicContact CG-CG2 4.48Å; F339-N403 HydrophobicContact CD2-CB 4.13Å; F339-N403 WeakPolarHBondContact CD2-ND2 3.48Å; F339-N403 HydrophobicContact CE2-CB 4.24Å; F339-N403 VanDerWaalsContact CE2-ND2 3.29Å; F339-N403 WeakPolarHBondContact CE2-ND2 3.5Å; F339-N403 VanDerWaalsContact CE2-OD1 3.22Å; F339-N403 WeakPolarHBondContact CE2-OD1 3.46Å; F339-N403 WeakPolarHBondContact CZ-OD1 3.49Å
340	N	73.7	Confident	59.2	Low	103 Å²	103	95 Å²	95	55%	0.551	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-67.4	116.2	-178.3	-83.2	-23	0	0	0	109.2	Q338 T342 D343 V344	Q338-N340 PolarHBondContact O-N 2.94Å; N340-T342 PolarHBondContact O-N 3.42Å; N340-D343 HydrophobicContact CB-CB 4.43Å; N340-D343 WeakPolarHBondContact CB-OD2 3.41Å; N340-D343 PolarHBondContact O-N 2.79Å; N340-V344 PolarHBondContact O-N 3.46Å
341	D	79.5	Confident	62.1	Low	73 Å²	73	87.9 Å²	87.9	39%	0.39	49%	0.49	S	S	.	.	H	α-helix	trans	-52.2	-34.4	-179.6	-75	-45.9	0	0	0	112.4	F339 D343 V344 I345	F339-D341 PolarHBondContact O-N 3.21Å; D341-D343 PolarHBondContact O-N 3.13Å; D341-V344 WeakPolarHBondContact O-CB 3.49Å; D341-V344 PolarHBondContact O-N 2.81Å; D341-I345 VanDerWaalsContact O-CG1 3.26Å; D341-I345 WeakPolarHBondContact O-CG1 3.37Å; D341-I345 PolarHBondContact O-N 2.83Å
342	T	83.4	Confident	64.8	Low	108 Å²	108	81 Å²	81	66%	0.663	45%	0.453	S	S	*	.	H	α-helix	trans	-61.2	-40.2	177.2	-44.8	0	0	0	0	112.9	N340 I345 S346	N340-T342 PolarHBondContact O-N 3.42Å; T342-I345 PolarHBondContact O-N 3.17Å; T342-S346 WeakPolarHBondContact O-CB 3.33Å; T342-S346 PolarHBondContact O-N 3.09Å
343	D	85.8	Confident	67.4	Low	85 Å²	85	76.6 Å²	76.6	46%	0.455	44%	0.438	S	S	.	.	H	α-helix	trans	-71.1	-40.4	-179.4	-64.3	-31.1	0	0	0	110.1	N340 D341 I345 S346 D347	N340-D343 HydrophobicContact CB-CB 4.43Å; N340-D343 WeakPolarHBondContact CB-OD2 3.41Å; N340-D343 PolarHBondContact O-N 2.79Å; D341-D343 PolarHBondContact O-N 3.13Å; D343-I345 PolarHBondContact O-N 2.84Å; D343-S346 PolarHBondContact O-N 2.93Å; D343-D347 WeakPolarHBondContact O-CB 3.47Å; D343-D347 PolarHBondContact O-N 2.95Å
344	V	86.5	Confident	69.9	Low	2 Å²	2	77.6 Å²	77.6	1%	0.012	43%	0.434	C	S	.	.	H	α-helix	trans	-56	-50.4	173.5	-176.4	0	0	0	0	110.8	F339 N340 D341 D347 T348 Y397 M400 K401	F339-V344 HydrophobicContact CD1-CG2 3.29Å; F339-V344 HydrophobicContact CE1-CG2 3.63Å; F339-V344 HydrophobicContact CG-CG2 4.48Å; N340-V344 PolarHBondContact O-N 3.46Å; D341-V344 WeakPolarHBondContact O-CB 3.49Å; D341-V344 PolarHBondContact O-N 2.81Å; V344-D347 PolarHBondContact O-N 3.1Å; V344-T348 WeakPolarHBondContact O-CB 3.42Å; V344-T348 PolarHBondContact O-N 3.31Å; V344-T348 PolarHBondContact O-OG1 3.15Å; V344-Y397 HydrophobicContact CG1-CD2 4.08Å; V344-Y397 HydrophobicContact CG1-CE2 3.93Å; V344-M400 HydrophobicContact CG1-CB 3.69Å; V344-K401 HydrophobicContact CG1-CB 4.39Å
345	I	85.1	Confident	72.4	Confident	8 Å²	8	72 Å²	72	4%	0.041	40%	0.399	C	S	.	.	H	α-helix	trans	-63.4	-46.7	-178.5	-67.1	169.2	0	0	0	109.7	D341 T342 D343 D347 T348 L349 E365 I368 I369 Q372 Y397	D341-I345 VanDerWaalsContact O-CG1 3.26Å; D341-I345 WeakPolarHBondContact O-CG1 3.37Å; D341-I345 PolarHBondContact O-N 2.83Å; T342-I345 PolarHBondContact O-N 3.17Å; D343-I345 PolarHBondContact O-N 2.84Å; I345-D347 PolarHBondContact O-N 2.97Å; I345-T348 PolarHBondContact O-N 3.14Å; I345-L349 HydrophobicContact CG2-CD1 3.63Å; I345-L349 HydrophobicContact CG2-CG 4.31Å; I345-L349 WeakPolarHBondContact O-CB 3Å; I345-L349 VanDerWaalsContact O-CG 3.24Å; I345-L349 WeakPolarHBondContact O-CG 3.31Å; I345-L349 PolarHBondContact O-N 2.89Å; I345-E365 HydrophobicContact CG2-CG 4.48Å; I345-I368 HydrophobicContact CD1-CG2 4.19Å; I345-I368 HydrophobicContact CG1-CG2 3.91Å; I345-I369 HydrophobicContact CD1-CG1 4Å; I345-I369 HydrophobicContact CG2-CG1 4.45Å; I345-Q372 HydrophobicContact CD1-CG 4.45Å; I345-Y397 HydrophobicContact CD1-CE2 4.44Å; I345-Y397 HydrophobicContact CG1-CD2 4.33Å; I345-Y397 HydrophobicContact CG1-CE2 3.58Å
346	S	86.8	Confident	74.9	Confident	48 Å²	48	67.1 Å²	67.1	34%	0.336	36%	0.364	S	S	.	.	H	α-helix	trans	-57.3	-48.8	178.7	-167.7	0	0	0	0	112	T342 D343 L349 K350	T342-S346 WeakPolarHBondContact O-CB 3.33Å; T342-S346 PolarHBondContact O-N 3.09Å; D343-S346 PolarHBondContact O-N 2.93Å; S346-L349 PolarHBondContact O-N 3.22Å; S346-K350 VanDerWaalsContact O-CG 3.27Å; S346-K350 WeakPolarHBondContact O-CG 3.13Å; S346-K350 PolarHBondContact O-N 3.36Å; S346-K350 VanDerWaalsContact OG-CE 3.26Å; S346-K350 WeakPolarHBondContact OG-CE 3.42Å; S346-K350 PolarHBondContact OG-NZ 3.01Å
347	D	84.4	Confident	77.2	Confident	69 Å²	69	68.1 Å²	68.1	37%	0.369	36%	0.357	S	S	.	.	H	α-helix	trans	-71.6	-36.6	-178.1	-70.6	-15.7	0	0	0	112.4	D343 V344 I345 K350 L351 M400	D343-D347 WeakPolarHBondContact O-CB 3.47Å; D343-D347 PolarHBondContact O-N 2.95Å; V344-D347 PolarHBondContact O-N 3.1Å; I345-D347 PolarHBondContact O-N 2.97Å; D347-K350 PolarHBondContact O-N 2.82Å; D347-K350 IonicContact OD1-NZ 2.78Å; D347-K350 PolarHBondContact OD1-NZ 3.07Å; D347-L351 WeakPolarHBondContact O-CG 3.31Å; D347-L351 PolarHBondContact O-N 2.98Å; D347-L351 VanDerWaalsContact O-N 3.12Å; D347-M400 HydrophobicContact CB-CE 4.17Å
348	T	83.9	Confident	79.3	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-58.6	-49.8	172.5	-60.4	0	0	0	0	110.6	V344 I345 L351 I352 F396	V344-T348 WeakPolarHBondContact O-CB 3.42Å; V344-T348 PolarHBondContact O-N 3.31Å; V344-T348 PolarHBondContact O-OG1 3.15Å; I345-T348 PolarHBondContact O-N 3.14Å; T348-L351 PolarHBondContact O-N 3.01Å; T348-I352 HydrophobicContact CG2-CD1 3.74Å; T348-I352 HydrophobicContact CG2-CG1 4.46Å; T348-I352 VanDerWaalsContact O-CG1 3.31Å; T348-I352 WeakPolarHBondContact O-CG1 3.5Å; T348-I352 PolarHBondContact O-N 2.83Å; T348-F396 HydrophobicContact CG2-CD1 3.81Å; T348-F396 HydrophobicContact CG2-CE1 4.13Å
349	L	84.5	Confident	81	Confident	10 Å²	10	61.3 Å²	61.3	5%	0.052	32%	0.315	C	S	.	.	H	α-helix	trans	-66	-41.1	-179.3	-69.8	167.1	0	0	0	112.2	I345 S346 L351 I352 I353 E365 I368	I345-L349 HydrophobicContact CG2-CD1 3.63Å; I345-L349 HydrophobicContact CG2-CG 4.31Å; I345-L349 WeakPolarHBondContact O-CB 3Å; I345-L349 VanDerWaalsContact O-CG 3.24Å; I345-L349 WeakPolarHBondContact O-CG 3.31Å; I345-L349 PolarHBondContact O-N 2.89Å; S346-L349 PolarHBondContact O-N 3.22Å; L349-L351 VanDerWaalsContact C-N 3.26Å; L349-L351 PolarHBondContact O-N 3.27Å; L349-I352 PolarHBondContact O-N 2.87Å; L349-I353 WeakPolarHBondContact O-CB 3.41Å; L349-I353 WeakPolarHBondContact O-CD1 3.3Å; L349-I353 WeakPolarHBondContact O-CG1 3.26Å; L349-I353 PolarHBondContact O-N 2.84Å; L349-E365 HydrophobicContact CD1-CB 3.46Å; L349-E365 VanDerWaalsContact CD1-CB 3.46Å; L349-E365 HydrophobicContact CD1-CG 3.43Å; L349-E365 VanDerWaalsContact CD1-CG 3.43Å; L349-E365 HydrophobicContact CD2-CB 3.95Å; L349-E365 HydrophobicContact CG-CB 4.35Å; L349-I368 HydrophobicContact CD2-CD1 4.3Å
350	K	86.1	Confident	82.1	Confident	105 Å²	105	60.9 Å²	60.9	46%	0.457	32%	0.317	S	S	.	.	H	α-helix	trans	-55.5	-43.8	174.2	-73.3	168.8	-155.4	154.9	0	111.4	S346 D347 L354	S346-K350 VanDerWaalsContact O-CG 3.27Å; S346-K350 WeakPolarHBondContact O-CG 3.13Å; S346-K350 PolarHBondContact O-N 3.36Å; S346-K350 VanDerWaalsContact OG-CE 3.26Å; S346-K350 WeakPolarHBondContact OG-CE 3.42Å; S346-K350 PolarHBondContact OG-NZ 3.01Å; D347-K350 PolarHBondContact O-N 2.82Å; D347-K350 IonicContact OD1-NZ 2.78Å; D347-K350 PolarHBondContact OD1-NZ 3.07Å; K350-L354 VanDerWaalsContact O-CG 3.26Å; K350-L354 WeakPolarHBondContact O-CG 3.4Å; K350-L354 PolarHBondContact O-N 3.2Å
351	L	84.3	Confident	82.5	Confident	28 Å²	28	58.1 Å²	58.1	15%	0.147	30%	0.301	C	S	.	.	H	α-helix	trans	-70.9	-39.9	179.1	-70.5	174.1	0	0	0	112.2	D347 T348 L349 L354 N355 F396 S412 V413 L416	D347-L351 WeakPolarHBondContact O-CG 3.31Å; D347-L351 PolarHBondContact O-N 2.98Å; D347-L351 VanDerWaalsContact O-N 3.12Å; T348-L351 PolarHBondContact O-N 3.01Å; L349-L351 VanDerWaalsContact C-N 3.26Å; L349-L351 PolarHBondContact O-N 3.27Å; L351-L354 PolarHBondContact O-N 2.91Å; L351-N355 WeakPolarHBondContact O-CB 3.35Å; L351-N355 PolarHBondContact O-N 3.21Å; L351-N355 VanDerWaalsContact O-N 3.17Å; L351-N355 PolarHBondContact O-ND2 2.8Å; L351-F396 HydrophobicContact CB-CE1 4.01Å; L351-F396 HydrophobicContact CB-CZ 4.44Å; L351-F396 HydrophobicContact CD1-CE1 3.92Å; L351-F396 HydrophobicContact CD1-CZ 3.62Å; L351-S412 VanDerWaalsContact CD1-CB 3.42Å; L351-V413 HydrophobicContact CD2-CG2 3.58Å; L351-L416 HydrophobicContact CB-CD2 3.84Å; L351-L416 WeakPolarHBondContact O-CD2 3.48Å
352	I	84.3	Confident	82.8	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-60.3	-47.2	173.4	-70	168.3	0	0	0	110.5	T348 L349 L354 N355 I356 T393	T348-I352 HydrophobicContact CG2-CD1 3.74Å; T348-I352 HydrophobicContact CG2-CG1 4.46Å; T348-I352 VanDerWaalsContact O-CG1 3.31Å; T348-I352 WeakPolarHBondContact O-CG1 3.5Å; T348-I352 PolarHBondContact O-N 2.83Å; L349-I352 PolarHBondContact O-N 2.87Å; I352-L354 VanDerWaalsContact C-N 3.26Å; I352-L354 PolarHBondContact O-N 3.29Å; I352-N355 PolarHBondContact O-N 3.18Å; I352-N355 VanDerWaalsContact O-N 3.16Å; I352-I356 HydrophobicContact CG1-CD1 4.46Å; I352-I356 HydrophobicContact CG2-CB 4.35Å; I352-I356 HydrophobicContact CG2-CD1 4.14Å; I352-I356 HydrophobicContact CG2-CG1 4.37Å; I352-I356 PolarHBondContact O-N 2.74Å; I352-T393 HydrophobicContact CD1-CG2 4.14Å; I352-T393 HydrophobicContact CG1-CG2 4.5Å; I352-T393 HydrophobicContact CG2-CG2 4.22Å
353	I	80.8	Confident	83.1	Confident	91 Å²	91	55.9 Å²	55.9	47%	0.467	29%	0.289	S	S	.	.	H	α-helix	trans	-54.7	-42.6	177.7	-69.2	158.7	0	0	0	111.8	L349 N355 H361	L349-I353 WeakPolarHBondContact O-CB 3.41Å; L349-I353 WeakPolarHBondContact O-CD1 3.3Å; L349-I353 WeakPolarHBondContact O-CG1 3.26Å; L349-I353 PolarHBondContact O-N 2.84Å; I353-N355 VanDerWaalsContact C-N 3.35Å; I353-H361 VanDerWaalsContact CA-CE1 3.4Å; I353-H361 WeakPolarHBondContact CA-CE1 3.1Å; I353-H361 HydrophobicContact CD1-CB 4.32Å; I353-H361 HydrophobicContact CG1-CB 3.87Å; I353-H361 WeakPolarHBondContact CG1-CD2 3.2Å
354	L	78	Confident	83.2	Confident	131 Å²	131	51.9 Å²	51.9	69%	0.686	27%	0.267	S	S	*	.	H	α-helix	trans	-78.3	-19.9	-175.9	-69.6	171.5	0	0	0	113.5	K350 L351 I352	K350-L354 VanDerWaalsContact O-CG 3.26Å; K350-L354 WeakPolarHBondContact O-CG 3.4Å; K350-L354 PolarHBondContact O-N 3.2Å; L351-L354 PolarHBondContact O-N 2.91Å; I352-L354 VanDerWaalsContact C-N 3.26Å; I352-L354 PolarHBondContact O-N 3.29Å
355	N	79.6	Confident	83.3	Confident	36 Å²	36	55.6 Å²	55.6	19%	0.193	28%	0.284	C	S	.	.	H	α-helix	trans	-120.1	-28.5	-168.5	-68.3	-81.5	0	0	0	114	L351 I352 I353 L416 R420	L351-N355 WeakPolarHBondContact O-CB 3.35Å; L351-N355 PolarHBondContact O-N 3.21Å; L351-N355 VanDerWaalsContact O-N 3.17Å; L351-N355 PolarHBondContact O-ND2 2.8Å; I352-N355 PolarHBondContact O-N 3.18Å; I352-N355 VanDerWaalsContact O-N 3.16Å; I353-N355 VanDerWaalsContact C-N 3.35Å; N355-L416 HydrophobicContact CB-CD2 3.78Å; N355-L416 HydrophobicContact CB-CG 4.45Å; N355-R420 PolarHBondContact O-NH1 3.46Å; N355-R420 PolarHBondContact O-NH2 2.83Å
356	I	79.7	Confident	83.6	Confident	3 Å²	3	59.4 Å²	59.4	2%	0.015	31%	0.305	C	S	.	.			trans	-109.2	109.6	-176.4	-47.4	-174.3	0	0	0	109.7	I352 V359 H389 S392 T393 L416	I352-I356 HydrophobicContact CG1-CD1 4.46Å; I352-I356 HydrophobicContact CG2-CB 4.35Å; I352-I356 HydrophobicContact CG2-CD1 4.14Å; I352-I356 HydrophobicContact CG2-CG1 4.37Å; I352-I356 PolarHBondContact O-N 2.74Å; I356-V359 HydrophobicContact CB-CG2 4.26Å; I356-V359 HydrophobicContact CG2-CG2 3.5Å; I356-H389 HydrophobicContact CD1-CB 4.35Å; I356-H389 HydrophobicContact CG2-CB 4.13Å; I356-S392 WeakPolarHBondContact CD1-OG 3.48Å; I356-T393 HydrophobicContact CD1-CG2 3.76Å; I356-L416 HydrophobicContact CD1-CD1 4.5Å
357	E	77.4	Confident	83.9	Confident	128 Å²	128	57.9 Å²	57.9	60%	0.598	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	148.9	179	-62.7	-179.5	175.7	0	0	111.1	V359	E357-V359 VanDerWaalsContact C-N 3.32Å; E357-V359 PolarHBondContact O-N 3.1Å
358	H	78.8	Confident	84.2	Confident	163 Å²	163	54.6 Å²	54.6	76%	0.755	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	18.6	172	-53.2	-65.7	0	0	0	117.4
359	V	78.9	Confident	84.6	Confident	9 Å²	9	57.9 Å²	57.9	6%	0.055	29%	0.292	C	S	.	.			trans	-94.7	129.8	173.6	176.8	0	0	0	0	110.7	I356 E357 H361 V364 S386 N387	I356-V359 HydrophobicContact CB-CG2 4.26Å; I356-V359 HydrophobicContact CG2-CG2 3.5Å; E357-V359 VanDerWaalsContact C-N 3.32Å; E357-V359 PolarHBondContact O-N 3.1Å; V359-H361 PolarHBondContact O-CD2 3.41Å; V359-H361 VanDerWaalsContact O-CD2 3.31Å; V359-H361 PolarHBondContact O-CE1 3.35Å; V359-H361 PolarHBondContact O-N 3.02Å; V359-H361 PolarHBondContact O-NE2 3.44Å; V359-V364 HydrophobicContact CG1-CB 4.4Å; V359-V364 HydrophobicContact CG1-CG2 3.46Å; V359-V364 VanDerWaalsContact CG1-CG2 3.46Å; V359-S386 VanDerWaalsContact CG2-O 3.28Å; V359-S386 WeakPolarHBondContact CG2-O 3.41Å; V359-N387 HydrophobicContact CG2-CB 4.29Å
360	D	83	Confident	85	Confident	79 Å²	79	63.1 Å²	63.1	42%	0.422	32%	0.32	S	S	.	.			trans	-75	93.9	168.3	-171.3	-24.3	0	0	0	109.4	S362 I363 V364	D360-S362 PolarHBondContact O-N 3.46Å; D360-S362 VanDerWaalsContact O-N 3.17Å; D360-S362 WeakPolarHBondContact OD1-CB 3.29Å; D360-S362 PolarHBondContact OD1-N 2.8Å; D360-S362 PolarHBondContact OD1-OG 3.38Å; D360-I363 HydrophobicContact CB-CB 4.28Å; D360-I363 HydrophobicContact CB-CD1 3.91Å; D360-I363 HydrophobicContact CB-CG1 4.08Å; D360-I363 PolarHBondContact O-N 2.94Å; D360-I363 VanDerWaalsContact O-N 3.07Å; D360-I363 PolarHBondContact OD1-N 3.02Å; D360-I363 VanDerWaalsContact OD2-CD1 3.26Å; D360-I363 WeakPolarHBondContact OD2-CD1 3.46Å; D360-V364 PolarHBondContact O-N 2.96Å; D360-V364 VanDerWaalsContact O-N 3.1Å
361	H	81.5	Confident	85.3	Confident	44 Å²	44	58.9 Å²	58.9	20%	0.204	30%	0.302	C	S	.	.	H	α-helix	trans	-59.8	-28	-176.2	-50.9	-62.9	0	0	0	113	I353 V359 E365	I353-H361 VanDerWaalsContact CA-CE1 3.4Å; I353-H361 WeakPolarHBondContact CA-CE1 3.1Å; I353-H361 HydrophobicContact CD1-CB 4.32Å; I353-H361 HydrophobicContact CG1-CB 3.87Å; I353-H361 WeakPolarHBondContact CG1-CD2 3.2Å; V359-H361 PolarHBondContact O-CD2 3.41Å; V359-H361 VanDerWaalsContact O-CD2 3.31Å; V359-H361 PolarHBondContact O-CE1 3.35Å; V359-H361 PolarHBondContact O-N 3.02Å; V359-H361 PolarHBondContact O-NE2 3.44Å; H361-E365 WeakPolarHBondContact O-CB 3.17Å; H361-E365 PolarHBondContact O-N 3.39Å
362	S	86.2	Confident	85.5	Confident	60 Å²	60	59.7 Å²	59.7	42%	0.42	31%	0.305	S	S	.	.	H	α-helix	trans	-70.3	-36.1	178.1	74.7	0	0	0	0	111.7	D360 N366	D360-S362 PolarHBondContact O-N 3.46Å; D360-S362 VanDerWaalsContact O-N 3.17Å; D360-S362 WeakPolarHBondContact OD1-CB 3.29Å; D360-S362 PolarHBondContact OD1-N 2.8Å; D360-S362 PolarHBondContact OD1-OG 3.38Å; S362-N366 WeakPolarHBondContact O-CB 3.47Å; S362-N366 PolarHBondContact O-N 2.95Å; S362-N366 VanDerWaalsContact O-N 3.1Å; S362-N366 PolarHBondContact O-ND2 3.24Å
363	I	89	Confident	85.6	Confident	75 Å²	75	65.2 Å²	65.2	39%	0.385	34%	0.344	S	S	.	.	H	α-helix	trans	-73.1	-41.5	177	-60.3	177.3	0	0	0	109.9	D360 N366 F367 I385	D360-I363 HydrophobicContact CB-CB 4.28Å; D360-I363 HydrophobicContact CB-CD1 3.91Å; D360-I363 HydrophobicContact CB-CG1 4.08Å; D360-I363 PolarHBondContact O-N 2.94Å; D360-I363 VanDerWaalsContact O-N 3.07Å; D360-I363 PolarHBondContact OD1-N 3.02Å; D360-I363 VanDerWaalsContact OD2-CD1 3.26Å; D360-I363 WeakPolarHBondContact OD2-CD1 3.46Å; I363-N366 PolarHBondContact O-N 2.96Å; I363-F367 PolarHBondContact O-N 3.17Å; I363-I385 HydrophobicContact CG2-CB 3.91Å; I363-I385 HydrophobicContact CG2-CD1 4.03Å; I363-I385 HydrophobicContact CG2-CG1 4.5Å; I363-I385 HydrophobicContact CG2-CG2 3.83Å
364	V	88.3	Confident	86	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-65.3	-41.9	175.7	175.5	0	0	0	0	111.6	V359 D360 N366 F367 I368 I385	V359-V364 HydrophobicContact CG1-CB 4.4Å; V359-V364 HydrophobicContact CG1-CG2 3.46Å; V359-V364 VanDerWaalsContact CG1-CG2 3.46Å; D360-V364 PolarHBondContact O-N 2.96Å; D360-V364 VanDerWaalsContact O-N 3.1Å; V364-N366 PolarHBondContact O-N 3.13Å; V364-F367 WeakPolarHBondContact O-CB 3.42Å; V364-F367 PolarHBondContact O-N 2.89Å; V364-F367 VanDerWaalsContact O-N 3.12Å; V364-I368 HydrophobicContact CG1-CD1 4Å; V364-I368 HydrophobicContact CG1-CG1 4.4Å; V364-I368 WeakPolarHBondContact O-CG1 3.4Å; V364-I368 PolarHBondContact O-N 2.8Å; V364-I385 HydrophobicContact CG2-CG1 4.39Å
365	E	88.7	Confident	86.6	Confident	80 Å²	80	61.5 Å²	61.5	37%	0.374	33%	0.325	S	S	.	.	H	α-helix	trans	-55.9	-50.6	173.2	175.3	165.9	-158.9	0	0	111.3	I345 L349 H361 F367 I368 I369	I345-E365 HydrophobicContact CG2-CG 4.48Å; L349-E365 HydrophobicContact CD1-CB 3.46Å; L349-E365 VanDerWaalsContact CD1-CB 3.46Å; L349-E365 HydrophobicContact CD1-CG 3.43Å; L349-E365 VanDerWaalsContact CD1-CG 3.43Å; L349-E365 HydrophobicContact CD2-CB 3.95Å; L349-E365 HydrophobicContact CG-CB 4.35Å; H361-E365 WeakPolarHBondContact O-CB 3.17Å; H361-E365 PolarHBondContact O-N 3.39Å; E365-F367 VanDerWaalsContact C-N 3.26Å; E365-F367 PolarHBondContact O-N 3.05Å; E365-I368 PolarHBondContact O-N 3.47Å; E365-I369 HydrophobicContact CG-CD1 3.63Å; E365-I369 HydrophobicContact CG-CG1 4.37Å; E365-I369 WeakPolarHBondContact O-CB 3.36Å; E365-I369 VanDerWaalsContact O-CG1 3.32Å; E365-I369 WeakPolarHBondContact O-CG1 3.34Å; E365-I369 PolarHBondContact O-N 3.29Å
366	N	91.3	Very high	87.2	Confident	89 Å²	89	60.3 Å²	60.3	48%	0.476	32%	0.32	S	S	.	.	H	α-helix	trans	-60.4	-37.5	176.4	-77.1	-49	0	0	0	111.9	S362 I363 V364 N370	S362-N366 WeakPolarHBondContact O-CB 3.47Å; S362-N366 PolarHBondContact O-N 2.95Å; S362-N366 VanDerWaalsContact O-N 3.1Å; S362-N366 PolarHBondContact O-ND2 3.24Å; I363-N366 PolarHBondContact O-N 2.96Å; V364-N366 PolarHBondContact O-N 3.13Å; N366-N370 VanDerWaalsContact O-CB 3.3Å; N366-N370 WeakPolarHBondContact O-CB 3.47Å; N366-N370 PolarHBondContact O-N 3.33Å; N366-N370 VanDerWaalsContact O-N 3.09Å; N366-N370 PolarHBondContact O-ND2 3.5Å
367	F	93.1	Very high	87.9	Confident	15 Å²	15	60.3 Å²	60.3	7%	0.066	32%	0.32	C	S	.	.	H	α-helix	trans	-63	-48.3	174.6	-174.3	-83.2	0	0	0	111.4	I363 V364 E365 N370 N371 P377 D378 L382 I385	I363-F367 PolarHBondContact O-N 3.17Å; V364-F367 WeakPolarHBondContact O-CB 3.42Å; V364-F367 PolarHBondContact O-N 2.89Å; V364-F367 VanDerWaalsContact O-N 3.12Å; E365-F367 VanDerWaalsContact C-N 3.26Å; E365-F367 PolarHBondContact O-N 3.05Å; F367-N370 PolarHBondContact O-N 3.42Å; F367-N371 HydrophobicContact CE1-CB 4.33Å; F367-N371 WeakPolarHBondContact O-CB 3.41Å; F367-N371 PolarHBondContact O-N 3.03Å; F367-N371 VanDerWaalsContact O-N 3.12Å; F367-N371 PolarHBondContact O-ND2 3.12Å; F367-P377 HydrophobicContact CE1-CB 4.33Å; F367-P377 HydrophobicContact CZ-CB 3.99Å; F367-D378 WeakPolarHBondContact CE2-O 3.27Å; F367-D378 WeakPolarHBondContact CZ-O 3.43Å; F367-L382 HydrophobicContact CD1-CB 4.46Å; F367-L382 HydrophobicContact CD1-CD1 3.8Å; F367-L382 HydrophobicContact CD1-CG 4.47Å; F367-L382 HydrophobicContact CE1-CB 3.94Å; F367-L382 HydrophobicContact CE1-CD1 4.03Å; F367-L382 HydrophobicContact CE1-CD2 3.99Å; F367-L382 HydrophobicContact CE1-CG 4.2Å; F367-L382 HydrophobicContact CE2-CB 4.03Å; F367-L382 HydrophobicContact CG-CD1 4.15Å; F367-L382 HydrophobicContact CZ-CB 3.7Å; F367-L382 HydrophobicContact CZ-CD2 4.49Å; F367-L382 HydrophobicContact CZ-CG 4.46Å; F367-I385 HydrophobicContact CB-CD1 3.69Å; F367-I385 HydrophobicContact CD2-CD1 3.77Å; F367-I385 HydrophobicContact CG-CD1 3.87Å
368	I	91.9	Very high	88.8	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-59.8	-50.8	179.2	-66.6	170.2	0	0	0	110.1	I345 L349 V364 E365 N370 N371 Q372 F394 Y397	I345-I368 HydrophobicContact CD1-CG2 4.19Å; I345-I368 HydrophobicContact CG1-CG2 3.91Å; L349-I368 HydrophobicContact CD2-CD1 4.3Å; V364-I368 HydrophobicContact CG1-CD1 4Å; V364-I368 HydrophobicContact CG1-CG1 4.4Å; V364-I368 WeakPolarHBondContact O-CG1 3.4Å; V364-I368 PolarHBondContact O-N 2.8Å; E365-I368 PolarHBondContact O-N 3.47Å; I368-N370 VanDerWaalsContact C-N 3.31Å; I368-N370 PolarHBondContact O-N 3.21Å; I368-N371 PolarHBondContact O-N 3.24Å; I368-N371 VanDerWaalsContact O-N 3.16Å; I368-Q372 WeakPolarHBondContact O-CG 3.46Å; I368-Q372 PolarHBondContact O-N 3.12Å; I368-Q372 VanDerWaalsContact O-N 3.16Å; I368-F394 HydrophobicContact CG1-CD2 4.11Å; I368-Y397 HydrophobicContact CG2-CD1 3.91Å; I368-Y397 HydrophobicContact CG2-CD2 3.71Å; I368-Y397 HydrophobicContact CG2-CE1 3.79Å; I368-Y397 HydrophobicContact CG2-CE2 3.61Å; I368-Y397 HydrophobicContact CG2-CG 3.85Å
369	I	91.6	Very high	89.7	Confident	69 Å²	69	49.3 Å²	49.3	35%	0.354	27%	0.271	S	S	.	.	H	α-helix	trans	-58.2	-43.4	-178.3	-69.8	169.4	0	0	0	111.4	I345 E365 N371 Q372	I345-I369 HydrophobicContact CD1-CG1 4Å; I345-I369 HydrophobicContact CG2-CG1 4.45Å; E365-I369 HydrophobicContact CG-CD1 3.63Å; E365-I369 HydrophobicContact CG-CG1 4.37Å; E365-I369 WeakPolarHBondContact O-CB 3.36Å; E365-I369 VanDerWaalsContact O-CG1 3.32Å; E365-I369 WeakPolarHBondContact O-CG1 3.34Å; E365-I369 PolarHBondContact O-N 3.29Å; I369-N371 VanDerWaalsContact C-N 3.32Å; I369-N371 PolarHBondContact O-N 2.92Å; I369-Q372 WeakPolarHBondContact O-CG 3.16Å; I369-Q372 PolarHBondContact O-NE2 3.25Å
370	N	92.9	Very high	90.5	Very high	121 Å²	121	49.7 Å²	49.7	65%	0.647	27%	0.272	S	S	*	.	H	α-helix	trans	-75.6	-19.6	-177.6	-70.7	-38.7	0	0	0	113.6	N366 F367 I368	N366-N370 VanDerWaalsContact O-CB 3.3Å; N366-N370 WeakPolarHBondContact O-CB 3.47Å; N366-N370 PolarHBondContact O-N 3.33Å; N366-N370 VanDerWaalsContact O-N 3.09Å; N366-N370 PolarHBondContact O-ND2 3.5Å; F367-N370 PolarHBondContact O-N 3.42Å; I368-N370 VanDerWaalsContact C-N 3.31Å; I368-N370 PolarHBondContact O-N 3.21Å
371	N	92.6	Very high	91.1	Very high	16 Å²	16	51.3 Å²	51.3	9%	0.086	28%	0.276	C	S	.	.	H	α-helix	trans	-111.4	8.2	-174.4	-70.5	-73.6	0	0	0	114.5	F367 I368 I369 S373 N374 P377	F367-N371 HydrophobicContact CE1-CB 4.33Å; F367-N371 WeakPolarHBondContact O-CB 3.41Å; F367-N371 PolarHBondContact O-N 3.03Å; F367-N371 VanDerWaalsContact O-N 3.12Å; F367-N371 PolarHBondContact O-ND2 3.12Å; I368-N371 PolarHBondContact O-N 3.24Å; I368-N371 VanDerWaalsContact O-N 3.16Å; I369-N371 VanDerWaalsContact C-N 3.32Å; I369-N371 PolarHBondContact O-N 2.92Å; N371-S373 PolarHBondContact O-N 2.89Å; N371-N374 HydrophobicContact CB-CB 4.19Å; N371-N374 PolarHBondContact O-N 3.44Å; N371-N374 VanDerWaalsContact O-N 3.16Å; N371-N374 PolarHBondContact OD1-ND2 3.41Å; N371-P377 HydrophobicContact CB-CB 3.95Å; N371-P377 WeakPolarHBondContact OD1-CB 3.45Å
372	Q	87.4	Confident	91.7	Very high	44 Å²	44	49.2 Å²	49.2	21%	0.206	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-30.6	-177.5	-63.6	-168.3	59.3	0	0	115.1	I345 I368 I369 Y397 K401	I345-Q372 HydrophobicContact CD1-CG 4.45Å; I368-Q372 WeakPolarHBondContact O-CG 3.46Å; I368-Q372 PolarHBondContact O-N 3.12Å; I368-Q372 VanDerWaalsContact O-N 3.16Å; I369-Q372 WeakPolarHBondContact O-CG 3.16Å; I369-Q372 PolarHBondContact O-NE2 3.25Å; Q372-Y397 WeakPolarHBondContact CG-OH 3.06Å; Q372-Y397 PolarHBondContact OE1-OH 3Å; Q372-K401 PolarHBondContact O-NZ 3.25Å
373	S	86.9	Confident	92.1	Very high	117 Å²	117	47.3 Å²	47.3	82%	0.818	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125	11.7	-179.8	-51.2	0	0	0	0	112.3	N371	N371-S373 PolarHBondContact O-N 2.89Å
374	N	90.3	Very high	92.3	Very high	63 Å²	63	50.7 Å²	50.7	34%	0.337	27%	0.265	S	S	.	.			trans	-75.7	130.7	-178.8	-173.5	-4.3	0	0	0	110.1	N371 A376 H443 Q447	N371-N374 HydrophobicContact CB-CB 4.19Å; N371-N374 PolarHBondContact O-N 3.44Å; N371-N374 VanDerWaalsContact O-N 3.16Å; N371-N374 PolarHBondContact OD1-ND2 3.41Å; N374-A376 VanDerWaalsContact C-N 3.27Å; N374-A376 PolarHBondContact ND2-O 2.99Å; N374-A376 PolarHBondContact O-N 2.86Å; N374-A376 PolarHBondContact OD1-N 2.75Å; N374-H443 PolarHBondContact O-CE1 3.47Å; N374-Q447 PolarHBondContact O-NE2 3.49Å
375	L	89.3	Confident	92.4	Very high	81 Å²	81	52.5 Å²	52.5	42%	0.424	27%	0.274	S	S	.	.	S	Bend	trans	-72	-19.4	177.3	-67.7	177.3	0	0	0	113.2	Q447 V668	L375-Q447 PolarHBondContact O-NE2 3.24Å; L375-Q447 PolarHBondContact O-OE1 3Å; L375-V668 HydrophobicContact CD1-CB 4.18Å; L375-V668 HydrophobicContact CD1-CG1 3.81Å
376	A	92.4	Very high	92.6	Very high	10 Å²	10	48.7 Å²	48.7	8%	0.083	26%	0.256	C	S	.	.	S	Bend	trans	-152.5	78.6	177.8	0	0	0	0	0	110.4	N374 K598 P599 I602	N374-A376 VanDerWaalsContact C-N 3.27Å; N374-A376 PolarHBondContact ND2-O 2.99Å; N374-A376 PolarHBondContact O-N 2.86Å; N374-A376 PolarHBondContact OD1-N 2.75Å; A376-K598 HydrophobicContact CB-CB 4.44Å; A376-K598 HydrophobicContact CB-CD 3.98Å; A376-P599 HydrophobicContact CB-CG 3.87Å; A376-I602 HydrophobicContact CB-CD1 3.83Å; A376-I602 WeakPolarHBondContact O-CD1 3.44Å
377	P	94.9	Very high	92.6	Very high	3 Å²	3	48 Å²	48	2%	0.019	25%	0.253	C	S	.	.			trans	-59.8	145.8	171.3	26.8	-34.4	0	0	0	110.6	F367 N371 L379 F394 H443	F367-P377 HydrophobicContact CE1-CB 4.33Å; F367-P377 HydrophobicContact CZ-CB 3.99Å; N371-P377 HydrophobicContact CB-CB 3.95Å; N371-P377 WeakPolarHBondContact OD1-CB 3.45Å; P377-L379 VanDerWaalsContact C-N 3.31Å; P377-L379 HydrophobicContact CB-CD2 4.03Å; P377-L379 HydrophobicContact CG-CD2 3.73Å; P377-L379 HydrophobicContact CG-CG 4.16Å; P377-L379 PolarHBondContact O-N 3.13Å; P377-F394 HydrophobicContact CG-CE1 4.14Å; P377-H443 WeakPolarHBondContact CD-CE1 3.41Å; P377-H443 WeakPolarHBondContact CG-CE1 3.38Å
378	D	96	Very high	92.6	Very high	57 Å²	57	52.9 Å²	52.9	31%	0.305	28%	0.275	S	S	.	.			trans	-76.4	85.2	174.3	-171.6	-19	0	0	0	109.3	F367 F380 K381 L382	F367-D378 WeakPolarHBondContact CE2-O 3.27Å; F367-D378 WeakPolarHBondContact CZ-O 3.43Å; D378-F380 VanDerWaalsContact C-N 3.26Å; D378-F380 PolarHBondContact O-N 2.98Å; D378-F380 PolarHBondContact OD1-N 2.79Å; D378-K381 HydrophobicContact CB-CB 4.11Å; D378-K381 WeakPolarHBondContact O-CB 3.24Å; D378-K381 PolarHBondContact O-N 3.04Å; D378-K381 PolarHBondContact OD1-N 3.46Å; D378-L382 PolarHBondContact O-N 2.85Å; D378-L382 VanDerWaalsContact O-N 3.12Å
379	L	96.8	Very high	92.7	Very high	3 Å²	3	55.3 Å²	55.3	2%	0.016	29%	0.287	C	S	.	.	H	α-helix	trans	-70.6	-22.1	-177.1	-60.5	-177.7	0	0	0	112.7	P377 L382 D383 F394 I436 L439 D440	P377-L379 VanDerWaalsContact C-N 3.31Å; P377-L379 HydrophobicContact CB-CD2 4.03Å; P377-L379 HydrophobicContact CG-CD2 3.73Å; P377-L379 HydrophobicContact CG-CG 4.16Å; P377-L379 PolarHBondContact O-N 3.13Å; L379-L382 HydrophobicContact CD2-CD2 4.1Å; L379-L382 WeakPolarHBondContact O-CB 3.47Å; L379-L382 PolarHBondContact O-N 3.4Å; L379-D383 PolarHBondContact O-N 2.97Å; L379-F394 HydrophobicContact CD2-CD1 4Å; L379-F394 HydrophobicContact CD2-CE1 4.25Å; L379-I436 HydrophobicContact CB-CG2 3.96Å; L379-L439 HydrophobicContact CD1-CB 4.5Å; L379-L439 HydrophobicContact CD1-CD2 4.19Å; L379-L439 HydrophobicContact CD1-CG 3.99Å; L379-L439 HydrophobicContact CD2-CD2 3.79Å; L379-L439 HydrophobicContact CD2-CG 4.29Å; L379-L439 HydrophobicContact CG-CD2 4.42Å; L379-D440 VanDerWaalsContact CD1-CA 3.47Å; L379-D440 HydrophobicContact CD1-CB 3.69Å
380	F	96.4	Very high	92.8	Very high	17 Å²	17	52 Å²	52	8%	0.075	27%	0.27	C	S	.	.	H	α-helix	trans	-67.6	-41.2	171.9	-50.6	-70.5	0	0	0	111.1	D378 L382 D383 Q384 I436 I602 E605 W606	D378-F380 VanDerWaalsContact C-N 3.26Å; D378-F380 PolarHBondContact O-N 2.98Å; D378-F380 PolarHBondContact OD1-N 2.79Å; F380-L382 VanDerWaalsContact C-N 3.32Å; F380-D383 PolarHBondContact O-N 2.79Å; F380-Q384 PolarHBondContact O-N 3.44Å; F380-I436 HydrophobicContact CD1-CD1 4.32Å; F380-I436 HydrophobicContact CD1-CG2 4.05Å; F380-I436 HydrophobicContact CE1-CG2 4.2Å; F380-I602 HydrophobicContact CE2-CG2 4.15Å; F380-E605 HydrophobicContact CD1-CG 3.94Å; F380-E605 HydrophobicContact CD2-CB 4.26Å; F380-E605 HydrophobicContact CD2-CG 3.63Å; F380-E605 HydrophobicContact CE1-CG 3.7Å; F380-E605 HydrophobicContact CE2-CB 3.68Å; F380-E605 HydrophobicContact CE2-CG 3.33Å; F380-E605 HydrophobicContact CG-CG 3.89Å; F380-E605 HydrophobicContact CZ-CB 3.93Å; F380-E605 HydrophobicContact CZ-CG 3.35Å; F380-W606 HydrophobicContact CE1-CD2 4.1Å; F380-W606 AromaticContact CE1-CE2 3.98Å; F380-W606 HydrophobicContact CE1-CE3 4.06Å; F380-W606 AromaticContact CE1-CH2 3.74Å; F380-W606 HydrophobicContact CE1-CH2 3.74Å; F380-W606 AromaticContact CE1-CZ2 3.8Å; F380-W606 HydrophobicContact CE1-CZ2 3.8Å; F380-W606 AromaticContact CE1-CZ3 3.89Å; F380-W606 HydrophobicContact CE1-CZ3 3.89Å; F380-W606 AromaticContact CZ-CD2 3.52Å; F380-W606 HydrophobicContact CZ-CD2 3.52Å; F380-W606 AromaticContact CZ-CE2 3.37Å; F380-W606 AromaticContact CZ-CE3 3.94Å; F380-W606 HydrophobicContact CZ-CE3 3.94Å; F380-W606 AromaticContact CZ-CG 3.96Å; F380-W606 HydrophobicContact CZ-CG 3.96Å; F380-W606 HydrophobicContact CZ-CH2 4.01Å; F380-W606 AromaticContact CZ-CZ2 3.63Å; F380-W606 HydrophobicContact CZ-CZ2 3.63Å; F380-W606 HydrophobicContact CZ-CZ3 4.17Å; F380-W606 AromaticContact CZ-NE1 3.83Å
381	K	95.1	Very high	93	Very high	114 Å²	114	46.2 Å²	46.2	50%	0.496	24%	0.239	S	C	.	.	H	α-helix	trans	-64.3	-39.1	171	-176.6	177.7	178.8	-179.2	0	111.4	D378 D383 Q384 I385	D378-K381 HydrophobicContact CB-CB 4.11Å; D378-K381 WeakPolarHBondContact O-CB 3.24Å; D378-K381 PolarHBondContact O-N 3.04Å; D378-K381 PolarHBondContact OD1-N 3.46Å; K381-D383 VanDerWaalsContact C-N 3.34Å; K381-Q384 PolarHBondContact O-N 3.31Å; K381-I385 HydrophobicContact CG-CG2 4.49Å; K381-I385 WeakPolarHBondContact O-CG1 3.29Å; K381-I385 PolarHBondContact O-N 3.01Å; K381-I385 VanDerWaalsContact O-N 3.1Å
382	L	94.6	Very high	93.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-58.8	-45.9	175.7	177.4	63.9	0	0	0	111.6	F367 D378 L379 F380 Q384 I385 S386 P390 F394 L439	F367-L382 HydrophobicContact CD1-CB 4.46Å; F367-L382 HydrophobicContact CD1-CD1 3.8Å; F367-L382 HydrophobicContact CD1-CG 4.47Å; F367-L382 HydrophobicContact CE1-CB 3.94Å; F367-L382 HydrophobicContact CE1-CD1 4.03Å; F367-L382 HydrophobicContact CE1-CD2 3.99Å; F367-L382 HydrophobicContact CE1-CG 4.2Å; F367-L382 HydrophobicContact CE2-CB 4.03Å; F367-L382 HydrophobicContact CG-CD1 4.15Å; F367-L382 HydrophobicContact CZ-CB 3.7Å; F367-L382 HydrophobicContact CZ-CD2 4.49Å; F367-L382 HydrophobicContact CZ-CG 4.46Å; D378-L382 PolarHBondContact O-N 2.85Å; D378-L382 VanDerWaalsContact O-N 3.12Å; L379-L382 HydrophobicContact CD2-CD2 4.1Å; L379-L382 WeakPolarHBondContact O-CB 3.47Å; L379-L382 PolarHBondContact O-N 3.4Å; F380-L382 VanDerWaalsContact C-N 3.32Å; L382-Q384 VanDerWaalsContact C-N 3.27Å; L382-Q384 PolarHBondContact O-N 3.33Å; L382-I385 HydrophobicContact CD1-CD1 4.01Å; L382-I385 HydrophobicContact CD1-CG1 4.08Å; L382-I385 VanDerWaalsContact O-CG1 3.26Å; L382-I385 WeakPolarHBondContact O-CG1 3.42Å; L382-I385 PolarHBondContact O-N 2.91Å; L382-S386 VanDerWaalsContact O-CB 3.23Å; L382-S386 WeakPolarHBondContact O-CB 3.43Å; L382-S386 PolarHBondContact O-N 3.42Å; L382-S386 PolarHBondContact O-OG 3.42Å; L382-P390 HydrophobicContact CD2-CB 4Å; L382-P390 HydrophobicContact CG-CB 4.09Å; L382-F394 HydrophobicContact CD2-CB 3.3Å; L382-F394 HydrophobicContact CD2-CD1 4.32Å; L382-F394 HydrophobicContact CD2-CG 4.02Å; L382-L439 HydrophobicContact CD2-CD2 3.61Å
383	D	94.6	Very high	93.5	Very high	20 Å²	20	43.4 Å²	43.4	11%	0.107	23%	0.225	C	C	.	.	H	α-helix	trans	-53.6	-45.7	177.8	-178.2	68.4	0	0	0	111.6	L379 F380 K381 S386 N387 H388 P390 I436	L379-D383 PolarHBondContact O-N 2.97Å; F380-D383 PolarHBondContact O-N 2.79Å; K381-D383 VanDerWaalsContact C-N 3.34Å; D383-S386 PolarHBondContact O-OG 3.11Å; D383-N387 PolarHBondContact O-N 3.08Å; D383-H388 PolarHBondContact O-N 3.2Å; D383-H388 WeakPolarHBondContact OD1-CA 3.31Å; D383-H388 IonicContact OD1-ND1 3.56Å; D383-H388 IonicContact OD2-CE1 3.43Å; D383-H388 PolarHBondContact OD2-CE1 2.85Å; D383-H388 IonicContact OD2-ND1 2.83Å; D383-H388 PolarHBondContact OD2-ND1 3.47Å; D383-P390 HydrophobicContact CB-CB 4.42Å; D383-P390 HydrophobicContact CB-CG 4.2Å; D383-P390 VanDerWaalsContact OD1-CD 3.32Å; D383-P390 WeakPolarHBondContact OD1-CD 3.43Å; D383-P390 WeakPolarHBondContact OD1-CG 3.47Å; D383-I436 HydrophobicContact CB-CD1 3.66Å; D383-I436 HydrophobicContact CB-CG1 3.93Å
384	Q	92.8	Very high	93.9	Very high	146 Å²	146	37.9 Å²	37.9	68%	0.682	19%	0.186	S	C	*	.	H	α-helix	trans	-64.9	-46	177.9	-64.9	175.8	-0.4	0	0	113	F380 K381 L382 N387	F380-Q384 PolarHBondContact O-N 3.44Å; K381-Q384 PolarHBondContact O-N 3.31Å; L382-Q384 VanDerWaalsContact C-N 3.27Å; L382-Q384 PolarHBondContact O-N 3.33Å; Q384-N387 PolarHBondContact O-N 3.38Å
385	I	92	Very high	94.1	Very high	37 Å²	37	34.9 Å²	34.9	19%	0.19	17%	0.17	C	C	.	.	H	α-helix	trans	-76.3	-24.6	-177.3	65.5	178.9	0	0	0	113	I363 V364 F367 K381 L382 N387	I363-I385 HydrophobicContact CG2-CB 3.91Å; I363-I385 HydrophobicContact CG2-CD1 4.03Å; I363-I385 HydrophobicContact CG2-CG1 4.5Å; I363-I385 HydrophobicContact CG2-CG2 3.83Å; V364-I385 HydrophobicContact CG2-CG1 4.39Å; F367-I385 HydrophobicContact CB-CD1 3.69Å; F367-I385 HydrophobicContact CD2-CD1 3.77Å; F367-I385 HydrophobicContact CG-CD1 3.87Å; K381-I385 HydrophobicContact CG-CG2 4.49Å; K381-I385 WeakPolarHBondContact O-CG1 3.29Å; K381-I385 PolarHBondContact O-N 3.01Å; K381-I385 VanDerWaalsContact O-N 3.1Å; L382-I385 HydrophobicContact CD1-CD1 4.01Å; L382-I385 HydrophobicContact CD1-CG1 4.08Å; L382-I385 VanDerWaalsContact O-CG1 3.26Å; L382-I385 WeakPolarHBondContact O-CG1 3.42Å; L382-I385 PolarHBondContact O-N 2.91Å; I385-N387 VanDerWaalsContact C-N 3.28Å
386	S	91.5	Very high	94.5	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	7.6	176.7	64.1	0	0	0	0	112.7	V359 L382 D383 H388 H389	V359-S386 VanDerWaalsContact CG2-O 3.28Å; V359-S386 WeakPolarHBondContact CG2-O 3.41Å; L382-S386 VanDerWaalsContact O-CB 3.23Å; L382-S386 WeakPolarHBondContact O-CB 3.43Å; L382-S386 PolarHBondContact O-N 3.42Å; L382-S386 PolarHBondContact O-OG 3.42Å; D383-S386 PolarHBondContact O-OG 3.11Å; S386-H388 VanDerWaalsContact C-N 3.34Å; S386-H388 PolarHBondContact O-N 2.94Å; S386-H389 WeakPolarHBondContact O-CB 3.37Å; S386-H389 PolarHBondContact O-N 3.28Å; S386-H389 VanDerWaalsContact OG-C 3.25Å; S386-H389 PolarHBondContact OG-N 3.47Å
387	N	91.3	Very high	94.6	Very high	74 Å²	74	30.6 Å²	30.6	40%	0.396	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	48.6	-177.9	-170.2	48.4	0	0	0	112.3	V359 D383 Q384 I385 H389	V359-N387 HydrophobicContact CG2-CB 4.29Å; D383-N387 PolarHBondContact O-N 3.08Å; Q384-N387 PolarHBondContact O-N 3.38Å; I385-N387 VanDerWaalsContact C-N 3.28Å; N387-H389 VanDerWaalsContact C-N 3.31Å; N387-H389 PolarHBondContact O-CD2 3.41Å; N387-H389 VanDerWaalsContact O-CD2 3.28Å; N387-H389 PolarHBondContact O-N 2.72Å
388	H	93.1	Very high	94.6	Very high	118 Å²	118	30.5 Å²	30.5	55%	0.546	15%	0.146	S	C	.	.	S	Bend	trans	63.1	32.4	-176.8	-51.9	-65.3	0	0	0	114.6	D383 S386	D383-H388 PolarHBondContact O-N 3.2Å; D383-H388 WeakPolarHBondContact OD1-CA 3.31Å; D383-H388 IonicContact OD1-ND1 3.56Å; D383-H388 IonicContact OD2-CE1 3.43Å; D383-H388 PolarHBondContact OD2-CE1 2.85Å; D383-H388 IonicContact OD2-ND1 2.83Å; D383-H388 PolarHBondContact OD2-ND1 3.47Å; S386-H388 VanDerWaalsContact C-N 3.34Å; S386-H388 PolarHBondContact O-N 2.94Å
389	H	93.6	Very high	94.6	Very high	51 Å²	51	27.8 Å²	27.8	24%	0.236	13%	0.132	C	C	.	.			trans	-119.4	44.9	173.1	-67.2	-64.2	0	0	0	114.6	I356 S386 N387 L391 T393 E423	I356-H389 HydrophobicContact CD1-CB 4.35Å; I356-H389 HydrophobicContact CG2-CB 4.13Å; S386-H389 WeakPolarHBondContact O-CB 3.37Å; S386-H389 PolarHBondContact O-N 3.28Å; S386-H389 VanDerWaalsContact OG-C 3.25Å; S386-H389 PolarHBondContact OG-N 3.47Å; N387-H389 VanDerWaalsContact C-N 3.31Å; N387-H389 PolarHBondContact O-CD2 3.41Å; N387-H389 VanDerWaalsContact O-CD2 3.28Å; N387-H389 PolarHBondContact O-N 2.72Å; H389-L391 PolarHBondContact O-N 3.07Å; H389-T393 HydrophobicContact CB-CG2 4.38Å; H389-T393 WeakPolarHBondContact O-CB 3.41Å; H389-T393 WeakPolarHBondContact O-CG2 3.42Å; H389-T393 PolarHBondContact O-N 2.98Å; H389-T393 VanDerWaalsContact O-N 3.14Å; H389-T393 PolarHBondContact O-OG1 2.76Å; H389-E423 VanDerWaalsContact CA-CD 3.48Å; H389-E423 VanDerWaalsContact CA-OE1 3.24Å; H389-E423 WeakPolarHBondContact CA-OE1 3.19Å; H389-E423 WeakPolarHBondContact CA-OE2 3.45Å; H389-E423 IonicContact CG-OE2 3.59Å; H389-E423 IonicContact ND1-OE2 2.89Å; H389-E423 PolarHBondContact ND1-OE2 3.29Å
390	P	95.3	Very high	94.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-64	-41.3	-175.2	28.6	-36.5	0	0	0	113	L382 D383 T393 F394 G395 E423 I436 L439	L382-P390 HydrophobicContact CD2-CB 4Å; L382-P390 HydrophobicContact CG-CB 4.09Å; D383-P390 HydrophobicContact CB-CB 4.42Å; D383-P390 HydrophobicContact CB-CG 4.2Å; D383-P390 VanDerWaalsContact OD1-CD 3.32Å; D383-P390 WeakPolarHBondContact OD1-CD 3.43Å; D383-P390 WeakPolarHBondContact OD1-CG 3.47Å; P390-T393 WeakPolarHBondContact CA-OG1 3.23Å; P390-T393 PolarHBondContact O-N 3.46Å; P390-T393 PolarHBondContact O-OG1 2.7Å; P390-T393 VanDerWaalsContact O-OG1 3.08Å; P390-F394 PolarHBondContact O-N 2.7Å; P390-G395 PolarHBondContact O-N 3.23Å; P390-E423 VanDerWaalsContact CD-OE1 3.25Å; P390-E423 WeakPolarHBondContact CD-OE1 3.18Å; P390-I436 HydrophobicContact CG-CG1 4.18Å; P390-L439 HydrophobicContact CB-CD2 3.73Å; P390-L439 WeakPolarHBondContact O-CD2 3.44Å
391	L	96.4	Very high	94.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.139	C	C	.	.	I	π-helix	trans	-71.5	-43.4	-176.6	-178.5	64	0	0	0	111.5	H389 T393 G395 F396 L419 I422 E423 Y426 A438 L439 L442 A471	H389-L391 PolarHBondContact O-N 3.07Å; L391-T393 PolarHBondContact O-N 2.97Å; L391-G395 CarbonylContact O-C 3.51Å; L391-G395 WeakPolarHBondContact O-CA 3.42Å; L391-G395 PolarHBondContact O-N 2.93Å; L391-G395 VanDerWaalsContact O-N 3.12Å; L391-F396 PolarHBondContact O-N 3.49Å; L391-F396 VanDerWaalsContact O-N 3.16Å; L391-L419 HydrophobicContact CG-CD2 4.42Å; L391-I422 HydrophobicContact CD2-CG2 3.88Å; L391-E423 WeakPolarHBondContact CA-OE1 3.29Å; L391-E423 HydrophobicContact CB-CB 4.42Å; L391-E423 HydrophobicContact CB-CG 4.36Å; L391-E423 VanDerWaalsContact CB-OE1 3.3Å; L391-E423 WeakPolarHBondContact CB-OE1 3.33Å; L391-E423 HydrophobicContact CD2-CB 4.38Å; L391-E423 PolarHBondContact N-OE1 3.08Å; L391-Y426 HydrophobicContact CD2-CE2 4.26Å; L391-A438 HydrophobicContact CD2-CB 4.49Å; L391-L439 HydrophobicContact CD1-CB 4.26Å; L391-L439 HydrophobicContact CD1-CD1 4.35Å; L391-L442 HydrophobicContact CD1-CD2 4.02Å; L391-A471 HydrophobicContact CD1-CB 4.22Å
392	S	95.2	Very high	94.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.123	C	C	.	.	I	π-helix	trans	-76.9	-8.4	177.8	64.3	0	0	0	0	114	I356 F396 L416 R420 E423	I356-S392 WeakPolarHBondContact CD1-OG 3.48Å; S392-F396 VanDerWaalsContact O-CB 3.27Å; S392-F396 WeakPolarHBondContact O-CB 3.43Å; S392-L416 WeakPolarHBondContact O-CD1 3.28Å; S392-R420 VanDerWaalsContact CB-CG 3.48Å; S392-E423 VanDerWaalsContact CB-OE2 3.32Å; S392-E423 WeakPolarHBondContact CB-OE2 3.34Å; S392-E423 PolarHBondContact N-OE1 3.33Å; S392-E423 PolarHBondContact OG-OE2 3.32Å
393	T	94.3	Very high	94.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.13	C	C	.	.	I	π-helix	trans	-98.7	-75.3	172	55.2	0	0	0	0	112.2	I352 I356 H389 P390 L391 F396 Y397	I352-T393 HydrophobicContact CD1-CG2 4.14Å; I352-T393 HydrophobicContact CG1-CG2 4.5Å; I352-T393 HydrophobicContact CG2-CG2 4.22Å; I356-T393 HydrophobicContact CD1-CG2 3.76Å; H389-T393 HydrophobicContact CB-CG2 4.38Å; H389-T393 WeakPolarHBondContact O-CB 3.41Å; H389-T393 WeakPolarHBondContact O-CG2 3.42Å; H389-T393 PolarHBondContact O-N 2.98Å; H389-T393 VanDerWaalsContact O-N 3.14Å; H389-T393 PolarHBondContact O-OG1 2.76Å; P390-T393 WeakPolarHBondContact CA-OG1 3.23Å; P390-T393 PolarHBondContact O-N 3.46Å; P390-T393 PolarHBondContact O-OG1 2.7Å; P390-T393 VanDerWaalsContact O-OG1 3.08Å; L391-T393 PolarHBondContact O-N 2.97Å; T393-F396 PolarHBondContact O-N 3.21Å; T393-Y397 PolarHBondContact O-N 3.06Å
394	F	95.1	Very high	94.2	Very high	1 Å²	1	25.7 Å²	25.7	0%	0.004	13%	0.126	C	C	.	.	I	π-helix	trans	-75.8	-34.4	-176.1	-170.3	-119.9	0	0	0	112	I368 P377 L379 L382 P390 F396 Y397 L398 L439 H443	I368-F394 HydrophobicContact CG1-CD2 4.11Å; P377-F394 HydrophobicContact CG-CE1 4.14Å; L379-F394 HydrophobicContact CD2-CD1 4Å; L379-F394 HydrophobicContact CD2-CE1 4.25Å; L382-F394 HydrophobicContact CD2-CB 3.3Å; L382-F394 HydrophobicContact CD2-CD1 4.32Å; L382-F394 HydrophobicContact CD2-CG 4.02Å; P390-F394 PolarHBondContact O-N 2.7Å; F394-F396 VanDerWaalsContact C-N 3.32Å; F394-F396 PolarHBondContact O-N 3.27Å; F394-Y397 AromaticContact CD2-CD1 3.77Å; F394-Y397 HydrophobicContact CD2-CD1 3.77Å; F394-Y397 HydrophobicContact CD2-CG 4.47Å; F394-Y397 AromaticContact CE2-CD1 3.61Å; F394-Y397 HydrophobicContact CE2-CD1 3.61Å; F394-Y397 AromaticContact CE2-CE1 3.96Å; F394-Y397 HydrophobicContact CE2-CE1 3.96Å; F394-Y397 WeakPolarHBondContact O-CB 3.24Å; F394-Y397 PolarHBondContact O-N 3.3Å; F394-L398 HydrophobicContact CD1-CD1 4.46Å; F394-L398 HydrophobicContact CE1-CD1 4.41Å; F394-L398 HydrophobicContact CE1-CD2 4.43Å; F394-L398 HydrophobicContact CZ-CD2 4.33Å; F394-L398 WeakPolarHBondContact O-CG 3.29Å; F394-L398 PolarHBondContact O-N 2.85Å; F394-L439 HydrophobicContact CB-CD1 4.4Å; F394-L439 HydrophobicContact CB-CD2 4.16Å; F394-L439 HydrophobicContact CD1-CD1 4.11Å; F394-L439 HydrophobicContact CD1-CD2 4.23Å; F394-L439 HydrophobicContact CD1-CG 4.47Å; F394-H443 AromaticContact CE1-CD2 3.49Å; F394-H443 VanDerWaalsContact CE1-CD2 3.49Å; F394-H443 WeakPolarHBondContact CE1-CD2 3.28Å; F394-H443 AromaticContact CE1-NE2 3.96Å; F394-H443 AromaticContact CZ-CD2 3.98Å
395	G	96.3	Very high	94.3	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.094	C	C	.	.	I	π-helix	trans	-60.8	-44.1	172.7	0	0	0	0	0	111.4	P390 L391 Y397 L398 F399 L439	P390-G395 PolarHBondContact O-N 3.23Å; L391-G395 CarbonylContact O-C 3.51Å; L391-G395 WeakPolarHBondContact O-CA 3.42Å; L391-G395 PolarHBondContact O-N 2.93Å; L391-G395 VanDerWaalsContact O-N 3.12Å; G395-Y397 PolarHBondContact O-N 2.97Å; G395-L398 WeakPolarHBondContact O-CB 3.45Å; G395-L398 PolarHBondContact O-N 2.86Å; G395-L398 VanDerWaalsContact O-N 3.08Å; G395-F399 WeakPolarHBondContact O-CD2 3.44Å; G395-F399 PolarHBondContact O-N 2.99Å; G395-F399 VanDerWaalsContact O-N 3.17Å; G395-L439 VanDerWaalsContact CA-CD1 3.47Å; G395-L439 VanDerWaalsContact N-CD1 3.33Å
396	F	96.1	Very high	94.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-60.5	-41.2	173.5	-179.8	-118.6	0	0	0	112.9	T348 L351 L391 S392 T393 F394 L398 F399 M400 L405 S412 M415 L416 L419	T348-F396 HydrophobicContact CG2-CD1 3.81Å; T348-F396 HydrophobicContact CG2-CE1 4.13Å; L351-F396 HydrophobicContact CB-CE1 4.01Å; L351-F396 HydrophobicContact CB-CZ 4.44Å; L351-F396 HydrophobicContact CD1-CE1 3.92Å; L351-F396 HydrophobicContact CD1-CZ 3.62Å; L391-F396 PolarHBondContact O-N 3.49Å; L391-F396 VanDerWaalsContact O-N 3.16Å; S392-F396 VanDerWaalsContact O-CB 3.27Å; S392-F396 WeakPolarHBondContact O-CB 3.43Å; T393-F396 PolarHBondContact O-N 3.21Å; F394-F396 VanDerWaalsContact C-N 3.32Å; F394-F396 PolarHBondContact O-N 3.27Å; F396-L398 VanDerWaalsContact C-N 3.3Å; F396-L398 PolarHBondContact O-N 3.36Å; F396-F399 PolarHBondContact O-N 3.29Å; F396-M400 HydrophobicContact CD2-CG 4.46Å; F396-M400 HydrophobicContact CE1-CG 4.05Å; F396-M400 HydrophobicContact CE2-CG 4.02Å; F396-M400 HydrophobicContact CE2-SD 4.2Å; F396-M400 HydrophobicContact CZ-CG 3.79Å; F396-M400 HydrophobicContact CZ-SD 3.87Å; F396-M400 WeakPolarHBondContact O-CG 3.38Å; F396-M400 PolarHBondContact O-N 3.24Å; F396-L405 HydrophobicContact CE2-CD1 4.2Å; F396-S412 VanDerWaalsContact CE2-O 3.31Å; F396-S412 WeakPolarHBondContact CE2-O 3.44Å; F396-M415 HydrophobicContact CD2-CG 4.44Å; F396-M415 HydrophobicContact CE2-CB 4.33Å; F396-L416 HydrophobicContact CB-CD1 4.23Å; F396-L416 HydrophobicContact CD1-CD1 4Å; F396-L416 HydrophobicContact CD2-CB 4.1Å; F396-L416 HydrophobicContact CD2-CD1 4.4Å; F396-L416 HydrophobicContact CE1-CB 4.42Å; F396-L416 HydrophobicContact CE1-CD2 4.35Å; F396-L416 HydrophobicContact CE2-CB 3.93Å; F396-L416 HydrophobicContact CG-CB 4.43Å; F396-L416 HydrophobicContact CG-CD1 3.95Å; F396-L416 HydrophobicContact CZ-CB 4.11Å; F396-L419 HydrophobicContact CB-CD1 3.79Å; F396-L419 HydrophobicContact CD2-CD1 4.16Å; F396-L419 HydrophobicContact CG-CD1 4.47Å
397	Y	95.4	Very high	94.7	Very high	1 Å²	1	28.6 Å²	28.6	0%	0.004	14%	0.137	C	C	.	.	H	α-helix	trans	-55.5	-42.7	171.1	169.4	-108.3	0	0	0	112.2	V344 I345 I368 Q372 T393 F394 G395 F399 M400 K401	V344-Y397 HydrophobicContact CG1-CD2 4.08Å; V344-Y397 HydrophobicContact CG1-CE2 3.93Å; I345-Y397 HydrophobicContact CD1-CE2 4.44Å; I345-Y397 HydrophobicContact CG1-CD2 4.33Å; I345-Y397 HydrophobicContact CG1-CE2 3.58Å; I368-Y397 HydrophobicContact CG2-CD1 3.91Å; I368-Y397 HydrophobicContact CG2-CD2 3.71Å; I368-Y397 HydrophobicContact CG2-CE1 3.79Å; I368-Y397 HydrophobicContact CG2-CE2 3.61Å; I368-Y397 HydrophobicContact CG2-CG 3.85Å; Q372-Y397 WeakPolarHBondContact CG-OH 3.06Å; Q372-Y397 PolarHBondContact OE1-OH 3Å; T393-Y397 PolarHBondContact O-N 3.06Å; F394-Y397 AromaticContact CD2-CD1 3.77Å; F394-Y397 HydrophobicContact CD2-CD1 3.77Å; F394-Y397 HydrophobicContact CD2-CG 4.47Å; F394-Y397 AromaticContact CE2-CD1 3.61Å; F394-Y397 HydrophobicContact CE2-CD1 3.61Å; F394-Y397 AromaticContact CE2-CE1 3.96Å; F394-Y397 HydrophobicContact CE2-CE1 3.96Å; F394-Y397 WeakPolarHBondContact O-CB 3.24Å; F394-Y397 PolarHBondContact O-N 3.3Å; G395-Y397 PolarHBondContact O-N 2.97Å; Y397-F399 PolarHBondContact O-N 3.35Å; Y397-M400 PolarHBondContact O-N 3.35Å; Y397-K401 HydrophobicContact CE1-CD 3.85Å; Y397-K401 HydrophobicContact CE2-CD 4.49Å; Y397-K401 VanDerWaalsContact O-CB 3.31Å; Y397-K401 WeakPolarHBondContact O-CB 3.38Å; Y397-K401 PolarHBondContact O-N 3.49Å; Y397-K401 WeakPolarHBondContact OH-CD 3.47Å; Y397-K401 PolarHBondContact OH-NZ 2.99Å; Y397-K401 VanDerWaalsContact OH-NZ 3.07Å
398	L	95.6	Very high	94.9	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.01	12%	0.121	C	C	.	.	H	α-helix	trans	-64	-39.1	178.8	-62.4	174.6	0	0	0	112.4	F394 G395 F396 K401 T402 L439 L442 H443 Y446 F467	F394-L398 HydrophobicContact CD1-CD1 4.46Å; F394-L398 HydrophobicContact CE1-CD1 4.41Å; F394-L398 HydrophobicContact CE1-CD2 4.43Å; F394-L398 HydrophobicContact CZ-CD2 4.33Å; F394-L398 WeakPolarHBondContact O-CG 3.29Å; F394-L398 PolarHBondContact O-N 2.85Å; G395-L398 WeakPolarHBondContact O-CB 3.45Å; G395-L398 PolarHBondContact O-N 2.86Å; G395-L398 VanDerWaalsContact O-N 3.08Å; F396-L398 VanDerWaalsContact C-N 3.3Å; F396-L398 PolarHBondContact O-N 3.36Å; L398-K401 PolarHBondContact O-N 3Å; L398-T402 PolarHBondContact O-N 3.16Å; L398-T402 PolarHBondContact O-OG1 3.08Å; L398-L439 HydrophobicContact CD1-CD1 4.44Å; L398-L442 HydrophobicContact CD1-CD2 4.36Å; L398-L442 HydrophobicContact CD1-CG 4.01Å; L398-H443 HydrophobicContact CD1-CB 4.07Å; L398-Y446 HydrophobicContact CD2-CD1 3.96Å; L398-Y446 HydrophobicContact CD2-CD2 4.1Å; L398-Y446 HydrophobicContact CD2-CE1 4.31Å; L398-Y446 HydrophobicContact CD2-CE2 4.47Å; L398-Y446 HydrophobicContact CD2-CG 3.88Å; L398-F467 HydrophobicContact CB-CE1 4.36Å
399	F	95.9	Very high	95.1	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62.4	-43.6	172.2	-82.8	-85.5	0	0	0	112.1	G395 F396 Y397 T402 V404 L405 M415 L419 L442 F464 F467	G395-F399 WeakPolarHBondContact O-CD2 3.44Å; G395-F399 PolarHBondContact O-N 2.99Å; G395-F399 VanDerWaalsContact O-N 3.17Å; F396-F399 PolarHBondContact O-N 3.29Å; Y397-F399 PolarHBondContact O-N 3.35Å; F399-T402 PolarHBondContact O-OG1 3.3Å; F399-V404 HydrophobicContact CD1-CG2 4.34Å; F399-L405 HydrophobicContact CB-CD1 4.08Å; F399-L405 HydrophobicContact CB-CD2 4.41Å; F399-L405 HydrophobicContact CB-CG 4.26Å; F399-L405 HydrophobicContact CD1-CD2 4.14Å; F399-M415 HydrophobicContact CD1-CE 3.86Å; F399-M415 HydrophobicContact CD1-SD 4.46Å; F399-M415 HydrophobicContact CD2-CE 3.88Å; F399-M415 HydrophobicContact CE1-CE 3.49Å; F399-M415 VanDerWaalsContact CE1-CE 3.49Å; F399-M415 HydrophobicContact CE1-SD 4.41Å; F399-M415 HydrophobicContact CE2-CE 3.54Å; F399-M415 HydrophobicContact CG-CE 4.04Å; F399-M415 HydrophobicContact CZ-CE 3.31Å; F399-L419 HydrophobicContact CD2-CD1 3.97Å; F399-L419 HydrophobicContact CE2-CD1 4.2Å; F399-L419 HydrophobicContact CE2-CD2 4.08Å; F399-L442 HydrophobicContact CE2-CD1 4.45Å; F399-L442 HydrophobicContact CE2-CD2 4.03Å; F399-F464 HydrophobicContact CD1-CD2 4.07Å; F399-F464 HydrophobicContact CD1-CE2 4.05Å; F399-F464 AromaticContact CE1-CD2 3.84Å; F399-F464 HydrophobicContact CE1-CD2 3.84Å; F399-F464 AromaticContact CE1-CE2 3.75Å; F399-F464 HydrophobicContact CE1-CE2 3.75Å; F399-F467 HydrophobicContact CD1-CB 4.31Å; F399-F467 HydrophobicContact CE1-CB 3.59Å; F399-F467 HydrophobicContact CE2-CB 4.33Å; F399-F467 HydrophobicContact CZ-CB 3.6Å
400	M	94.5	Very high	95.2	Very high	20 Å²	20	21.9 Å²	21.9	10%	0.099	11%	0.113	C	C	.	.	H	α-helix	trans	-64.9	-41.6	177.5	-68.6	-72.2	-69.2	0	0	111.3	V344 D347 F396 Y397 T402 N403 L405 S412	V344-M400 HydrophobicContact CG1-CB 3.69Å; D347-M400 HydrophobicContact CB-CE 4.17Å; F396-M400 HydrophobicContact CD2-CG 4.46Å; F396-M400 HydrophobicContact CE1-CG 4.05Å; F396-M400 HydrophobicContact CE2-CG 4.02Å; F396-M400 HydrophobicContact CE2-SD 4.2Å; F396-M400 HydrophobicContact CZ-CG 3.79Å; F396-M400 HydrophobicContact CZ-SD 3.87Å; F396-M400 WeakPolarHBondContact O-CG 3.38Å; F396-M400 PolarHBondContact O-N 3.24Å; Y397-M400 PolarHBondContact O-N 3.35Å; M400-T402 VanDerWaalsContact C-N 3.33Å; M400-T402 PolarHBondContact O-N 3.39Å; M400-N403 PolarHBondContact O-N 3.37Å; M400-L405 HydrophobicContact CG-CD1 4.42Å; M400-L405 HydrophobicContact SD-CD1 3.84Å; M400-S412 PolarHBondContact SD-OG 2.65Å; M400-S412 VanDerWaalsContact SD-OG 3.39Å
401	K	93.1	Very high	95.2	Very high	32 Å²	32	23.1 Å²	23.1	14%	0.139	12%	0.121	C	C	.	.	H	α-helix	trans	-63.8	-31.7	-177.3	-172.5	168	-167.1	167.1	0	114.2	V344 Q372 Y397 L398 N403 Y446	V344-K401 HydrophobicContact CG1-CB 4.39Å; Q372-K401 PolarHBondContact O-NZ 3.25Å; Y397-K401 HydrophobicContact CE1-CD 3.85Å; Y397-K401 HydrophobicContact CE2-CD 4.49Å; Y397-K401 VanDerWaalsContact O-CB 3.31Å; Y397-K401 WeakPolarHBondContact O-CB 3.38Å; Y397-K401 PolarHBondContact O-N 3.49Å; Y397-K401 WeakPolarHBondContact OH-CD 3.47Å; Y397-K401 PolarHBondContact OH-NZ 2.99Å; Y397-K401 VanDerWaalsContact OH-NZ 3.07Å; L398-K401 PolarHBondContact O-N 3Å; K401-N403 PolarHBondContact O-N 3.41Å; K401-Y446 HydrophobicContact CD-CE2 4.2Å; K401-Y446 WeakPolarHBondContact CD-OH 3.36Å; K401-Y446 WeakPolarHBondContact CE-OH 3.18Å; K401-Y446 HydrophobicContact CG-CE2 4.3Å
402	T	92.5	Very high	95.2	Very high	27 Å²	27	24.9 Å²	24.9	17%	0.166	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-9.5	176.4	56.5	0	0	0	0	113.4	L398 F399 M400 V404 Y446 F467	L398-T402 PolarHBondContact O-N 3.16Å; L398-T402 PolarHBondContact O-OG1 3.08Å; F399-T402 PolarHBondContact O-OG1 3.3Å; M400-T402 VanDerWaalsContact C-N 3.33Å; M400-T402 PolarHBondContact O-N 3.39Å; T402-V404 PolarHBondContact O-N 3.3Å; T402-V404 VanDerWaalsContact O-N 3.13Å; T402-V404 VanDerWaalsContact OG1-CG2 3.31Å; T402-V404 WeakPolarHBondContact OG1-CG2 3.38Å; T402-Y446 HydrophobicContact CG2-CD2 3.95Å; T402-Y446 HydrophobicContact CG2-CE2 3.91Å; T402-F467 HydrophobicContact CG2-CD1 4.49Å; T402-F467 HydrophobicContact CG2-CE1 3.54Å; T402-F467 HydrophobicContact CG2-CZ 3.6Å
403	N	93.5	Very high	95.1	Very high	29 Å²	29	27.5 Å²	27.5	16%	0.155	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	16.6	-174.4	-161.4	29.4	0	0	0	114.7	F339 M400 K401 L405 Q406 K407	F339-N403 HydrophobicContact CD2-CB 4.13Å; F339-N403 WeakPolarHBondContact CD2-ND2 3.48Å; F339-N403 HydrophobicContact CE2-CB 4.24Å; F339-N403 VanDerWaalsContact CE2-ND2 3.29Å; F339-N403 WeakPolarHBondContact CE2-ND2 3.5Å; F339-N403 VanDerWaalsContact CE2-OD1 3.22Å; F339-N403 WeakPolarHBondContact CE2-OD1 3.46Å; F339-N403 WeakPolarHBondContact CZ-OD1 3.49Å; M400-N403 PolarHBondContact O-N 3.37Å; K401-N403 PolarHBondContact O-N 3.41Å; N403-L405 VanDerWaalsContact C-N 3.29Å; N403-L405 PolarHBondContact O-N 3.19Å; N403-Q406 PolarHBondContact ND2-OE1 2.95Å; N403-Q406 VanDerWaalsContact ND2-OE1 3.14Å; N403-Q406 WeakPolarHBondContact OD1-CB 3.31Å; N403-Q406 PolarHBondContact OD1-OE1 3.3Å; N403-K407 VanDerWaalsContact O-CG 3.31Å; N403-K407 WeakPolarHBondContact O-CG 3.47Å; N403-K407 PolarHBondContact O-N 3.07Å
404	V	94.6	Very high	95.1	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.012	15%	0.153	C	C	.	.	H	α-helix	trans	-68	-30.6	-179.1	-65	0	0	0	0	112.2	F399 T402 K407 L408 T463 F464	F399-V404 HydrophobicContact CD1-CG2 4.34Å; T402-V404 PolarHBondContact O-N 3.3Å; T402-V404 VanDerWaalsContact O-N 3.13Å; T402-V404 VanDerWaalsContact OG1-CG2 3.31Å; T402-V404 WeakPolarHBondContact OG1-CG2 3.38Å; V404-K407 PolarHBondContact O-N 3.32Å; V404-L408 WeakPolarHBondContact O-CB 3.29Å; V404-L408 WeakPolarHBondContact O-CG 3.45Å; V404-L408 PolarHBondContact O-N 3.47Å; V404-T463 HydrophobicContact CG1-CG2 3.77Å; V404-F464 HydrophobicContact CB-CB 4.39Å; V404-F464 HydrophobicContact CG2-CB 4.35Å; V404-F464 HydrophobicContact CG2-CD2 4.01Å
405	L	96.2	Very high	95.2	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.016	15%	0.153	C	C	.	.	H	α-helix	trans	-63	-47.7	179.4	-58.3	-174.5	0	0	0	111.4	F396 F399 M400 N403 L408 S409 I410 M415 F464	F396-L405 HydrophobicContact CE2-CD1 4.2Å; F399-L405 HydrophobicContact CB-CD1 4.08Å; F399-L405 HydrophobicContact CB-CD2 4.41Å; F399-L405 HydrophobicContact CB-CG 4.26Å; F399-L405 HydrophobicContact CD1-CD2 4.14Å; M400-L405 HydrophobicContact CG-CD1 4.42Å; M400-L405 HydrophobicContact SD-CD1 3.84Å; N403-L405 VanDerWaalsContact C-N 3.29Å; N403-L405 PolarHBondContact O-N 3.19Å; L405-L408 PolarHBondContact O-N 3.3Å; L405-S409 PolarHBondContact O-N 3.5Å; L405-S409 VanDerWaalsContact O-N 3.07Å; L405-I410 HydrophobicContact CD2-CB 4.28Å; L405-I410 HydrophobicContact CD2-CD1 4.21Å; L405-I410 HydrophobicContact CD2-CG2 4.28Å; L405-I410 PolarHBondContact O-N 3.25Å; L405-M415 HydrophobicContact CD1-CB 3.98Å; L405-M415 HydrophobicContact CD1-CG 4.05Å; L405-M415 HydrophobicContact CD2-CB 4.13Å; L405-M415 HydrophobicContact CD2-CG 3.87Å; L405-M415 HydrophobicContact CD2-SD 4.23Å; L405-F464 HydrophobicContact CD2-CD2 4.2Å; L405-F464 HydrophobicContact CD2-CE2 3.84Å
406	Q	95.1	Very high	95.1	Very high	127 Å²	127	28.1 Å²	28.1	59%	0.593	15%	0.153	S	C	*	.	H	α-helix	trans	-64.2	-46.1	177.7	-167.8	-172.9	24.6	0	0	111.3	N403 L408 S409	N403-Q406 PolarHBondContact ND2-OE1 2.95Å; N403-Q406 VanDerWaalsContact ND2-OE1 3.14Å; N403-Q406 WeakPolarHBondContact OD1-CB 3.31Å; N403-Q406 PolarHBondContact OD1-OE1 3.3Å; Q406-L408 VanDerWaalsContact C-N 3.28Å; Q406-L408 PolarHBondContact O-N 3.13Å; Q406-S409 PolarHBondContact O-N 3.48Å
407	K	95.2	Very high	95.1	Very high	113 Å²	113	29.8 Å²	29.8	49%	0.491	16%	0.162	S	C	.	.	H	α-helix	trans	-63.7	-32.8	-178.4	-67	176.6	-174.3	171.5	0	113	N403 V404 D460	N403-K407 VanDerWaalsContact O-CG 3.31Å; N403-K407 WeakPolarHBondContact O-CG 3.47Å; N403-K407 PolarHBondContact O-N 3.07Å; V404-K407 PolarHBondContact O-N 3.32Å; K407-D460 HydrophobicContact CB-CB 4.34Å; K407-D460 HydrophobicContact CD-CB 4.28Å; K407-D460 WeakPolarHBondContact CD-OD1 3.47Å; K407-D460 WeakPolarHBondContact CD-OD2 3.36Å; K407-D460 WeakPolarHBondContact CE-OD1 3.34Å; K407-D460 IonicContact NZ-OD1 3.32Å; K407-D460 PolarHBondContact NZ-OD1 3.39Å
408	L	96.2	Very high	95.1	Very high	13 Å²	13	29.8 Å²	29.8	7%	0.068	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	5.9	175.8	-64.4	175.9	0	0	0	113.5	V404 L405 Q406 I410 D460 L461 F464 F526	V404-L408 WeakPolarHBondContact O-CB 3.29Å; V404-L408 WeakPolarHBondContact O-CG 3.45Å; V404-L408 PolarHBondContact O-N 3.47Å; L405-L408 PolarHBondContact O-N 3.3Å; Q406-L408 VanDerWaalsContact C-N 3.28Å; Q406-L408 PolarHBondContact O-N 3.13Å; L408-I410 HydrophobicContact CB-CD1 4.04Å; L408-I410 HydrophobicContact CB-CG1 4.01Å; L408-I410 HydrophobicContact CD1-CD1 4.3Å; L408-I410 PolarHBondContact O-N 3.19Å; L408-D460 HydrophobicContact CD2-CB 4.32Å; L408-D460 HydrophobicContact CG-CB 4.4Å; L408-L461 HydrophobicContact CD1-CD1 4.39Å; L408-L461 HydrophobicContact CD2-CB 4.46Å; L408-L461 HydrophobicContact CD2-CD1 4.29Å; L408-F464 HydrophobicContact CD1-CB 3.45Å; L408-F464 VanDerWaalsContact CD1-CB 3.45Å; L408-F464 HydrophobicContact CD1-CD1 4.14Å; L408-F464 HydrophobicContact CD1-CD2 4.23Å; L408-F464 HydrophobicContact CD1-CG 3.67Å; L408-F526 HydrophobicContact CB-CE1 4.05Å; L408-F526 HydrophobicContact CD1-CE1 4.19Å; L408-F526 HydrophobicContact CD1-CZ 4.36Å
409	S	96.3	Very high	95.2	Very high	84 Å²	84	29.7 Å²	29.7	59%	0.587	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.9	32.5	-178.8	-54.1	0	0	0	0	113.9	L405 Q406 P411 Y525	L405-S409 PolarHBondContact O-N 3.5Å; L405-S409 VanDerWaalsContact O-N 3.07Å; Q406-S409 PolarHBondContact O-N 3.48Å; S409-P411 WeakPolarHBondContact O-CD 3.27Å; S409-Y525 WeakPolarHBondContact O-CB 3.27Å; S409-Y525 WeakPolarHBondContact O-CD1 3.38Å
410	I	96.7	Very high	95.2	Very high	6 Å²	6	33.2 Å²	33.2	3%	0.031	18%	0.175	C	C	.	.			trans	-88.5	120.3	175	-57.5	171.8	0	0	0	108.3	L405 L408 S412 M415 F464 F522 F526	L405-I410 HydrophobicContact CD2-CB 4.28Å; L405-I410 HydrophobicContact CD2-CD1 4.21Å; L405-I410 HydrophobicContact CD2-CG2 4.28Å; L405-I410 PolarHBondContact O-N 3.25Å; L408-I410 HydrophobicContact CB-CD1 4.04Å; L408-I410 HydrophobicContact CB-CG1 4.01Å; L408-I410 HydrophobicContact CD1-CD1 4.3Å; L408-I410 PolarHBondContact O-N 3.19Å; I410-S412 PolarHBondContact O-N 3.34Å; I410-M415 HydrophobicContact CG2-CB 4.39Å; I410-F464 HydrophobicContact CD1-CD2 4.02Å; I410-F464 HydrophobicContact CD1-CE1 4.1Å; I410-F464 HydrophobicContact CD1-CE2 3.53Å; I410-F464 HydrophobicContact CD1-CG 4.49Å; I410-F464 HydrophobicContact CD1-CZ 3.58Å; I410-F522 HydrophobicContact CD1-CB 4.44Å; I410-F522 HydrophobicContact CD1-CD2 4.36Å; I410-F522 HydrophobicContact CG1-CB 4.45Å; I410-F522 HydrophobicContact CG2-CB 3.68Å; I410-F526 HydrophobicContact CD1-CE1 3.73Å; I410-F526 HydrophobicContact CD1-CZ 3.85Å; I410-F526 HydrophobicContact CG1-CE1 3.94Å; I410-F526 HydrophobicContact CG1-CZ 4.5Å
411	P	95.6	Very high	95.3	Very high	26 Å²	26	35.2 Å²	35.2	17%	0.169	18%	0.184	C	C	.	.			trans	-62.5	131.2	173.9	-23.3	35.1	0	0	0	111.4	S409 V413 T414 M415 Y525	S409-P411 WeakPolarHBondContact O-CD 3.27Å; P411-V413 PolarHBondContact O-N 3.21Å; P411-T414 WeakPolarHBondContact O-CB 3.47Å; P411-T414 PolarHBondContact O-N 3.28Å; P411-M415 PolarHBondContact O-N 3.4Å; P411-Y525 HydrophobicContact CG-CE1 3.92Å; P411-Y525 HydrophobicContact CG-CE2 3.82Å; P411-Y525 VanDerWaalsContact CG-CZ 3.46Å; P411-Y525 WeakPolarHBondContact CG-OH 3.48Å
412	S	95.1	Very high	95.5	Very high	36 Å²	36	33.8 Å²	33.8	25%	0.252	18%	0.178	S	C	.	.	H	α-helix	trans	-57.7	-33.7	-177.2	-55.2	0	0	0	0	112.9	L351 F396 M400 I410 M415 L416	L351-S412 VanDerWaalsContact CD1-CB 3.42Å; F396-S412 VanDerWaalsContact CE2-O 3.31Å; F396-S412 WeakPolarHBondContact CE2-O 3.44Å; M400-S412 PolarHBondContact SD-OG 2.65Å; M400-S412 VanDerWaalsContact SD-OG 3.39Å; I410-S412 PolarHBondContact O-N 3.34Å; S412-M415 PolarHBondContact O-N 2.87Å; S412-L416 WeakPolarHBondContact O-CB 3.48Å; S412-L416 PolarHBondContact O-N 3.32Å
413	V	93.5	Very high	95.7	Very high	55 Å²	55	33 Å²	33	33%	0.333	17%	0.172	S	C	.	.	H	α-helix	trans	-63.9	-42.6	175.3	179.3	0	0	0	0	111.7	L351 P411 M415 L416 N417	L351-V413 HydrophobicContact CD2-CG2 3.58Å; P411-V413 PolarHBondContact O-N 3.21Å; V413-M415 VanDerWaalsContact C-N 3.34Å; V413-M415 PolarHBondContact O-N 3.1Å; V413-L416 PolarHBondContact O-N 3.25Å; V413-N417 WeakPolarHBondContact O-CB 3.31Å; V413-N417 VanDerWaalsContact O-CG 3.3Å; V413-N417 PolarHBondContact O-N 3.47Å; V413-N417 PolarHBondContact O-ND2 3.18Å
414	T	95.1	Very high	95.8	Very high	14 Å²	14	35.3 Å²	35.3	9%	0.086	19%	0.191	C	C	.	.	H	α-helix	trans	-62.4	-43.4	177.7	-54	0	0	0	0	110.6	P411 N417 C418 F522	P411-T414 WeakPolarHBondContact O-CB 3.47Å; P411-T414 PolarHBondContact O-N 3.28Å; T414-N417 PolarHBondContact O-N 3.11Å; T414-C418 WeakPolarHBondContact O-CB 3.3Å; T414-C418 PolarHBondContact O-N 3.39Å; T414-F522 HydrophobicContact CG2-CB 4.14Å
415	M	96.7	Very high	95.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.1	-43.8	176.8	-172	67.3	-158.7	0	0	111.9	F396 F399 L405 I410 P411 S412 V413 N417 C418 L419 F464 F468	F396-M415 HydrophobicContact CD2-CG 4.44Å; F396-M415 HydrophobicContact CE2-CB 4.33Å; F399-M415 HydrophobicContact CD1-CE 3.86Å; F399-M415 HydrophobicContact CD1-SD 4.46Å; F399-M415 HydrophobicContact CD2-CE 3.88Å; F399-M415 HydrophobicContact CE1-CE 3.49Å; F399-M415 VanDerWaalsContact CE1-CE 3.49Å; F399-M415 HydrophobicContact CE1-SD 4.41Å; F399-M415 HydrophobicContact CE2-CE 3.54Å; F399-M415 HydrophobicContact CG-CE 4.04Å; F399-M415 HydrophobicContact CZ-CE 3.31Å; L405-M415 HydrophobicContact CD1-CB 3.98Å; L405-M415 HydrophobicContact CD1-CG 4.05Å; L405-M415 HydrophobicContact CD2-CB 4.13Å; L405-M415 HydrophobicContact CD2-CG 3.87Å; L405-M415 HydrophobicContact CD2-SD 4.23Å; I410-M415 HydrophobicContact CG2-CB 4.39Å; P411-M415 PolarHBondContact O-N 3.4Å; S412-M415 PolarHBondContact O-N 2.87Å; V413-M415 VanDerWaalsContact C-N 3.34Å; V413-M415 PolarHBondContact O-N 3.1Å; M415-N417 PolarHBondContact O-N 2.97Å; M415-C418 WeakPolarHBondContact O-CB 3.24Å; M415-C418 PolarHBondContact O-N 2.64Å; M415-L419 HydrophobicContact CE-CD1 3.99Å; M415-L419 HydrophobicContact CE-CD2 3.73Å; M415-L419 HydrophobicContact CE-CG 3.69Å; M415-L419 HydrophobicContact CG-CD1 4.4Å; M415-L419 WeakPolarHBondContact O-CG 3.26Å; M415-L419 PolarHBondContact O-N 3.34Å; M415-F464 HydrophobicContact CE-CE2 4.44Å; M415-F464 HydrophobicContact SD-CE2 3.91Å; M415-F464 HydrophobicContact SD-CZ 4.13Å; M415-F468 HydrophobicContact CE-CD2 4.45Å
416	L	95.3	Very high	96	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.5	-45.3	176.9	178.6	56.8	0	0	0	111.6	L351 N355 I356 S392 F396 S412 V413 C418 L419 R420	L351-L416 HydrophobicContact CB-CD2 3.84Å; L351-L416 WeakPolarHBondContact O-CD2 3.48Å; N355-L416 HydrophobicContact CB-CD2 3.78Å; N355-L416 HydrophobicContact CB-CG 4.45Å; I356-L416 HydrophobicContact CD1-CD1 4.5Å; S392-L416 WeakPolarHBondContact O-CD1 3.28Å; F396-L416 HydrophobicContact CB-CD1 4.23Å; F396-L416 HydrophobicContact CD1-CD1 4Å; F396-L416 HydrophobicContact CD2-CB 4.1Å; F396-L416 HydrophobicContact CD2-CD1 4.4Å; F396-L416 HydrophobicContact CE1-CB 4.42Å; F396-L416 HydrophobicContact CE1-CD2 4.35Å; F396-L416 HydrophobicContact CE2-CB 3.93Å; F396-L416 HydrophobicContact CG-CB 4.43Å; F396-L416 HydrophobicContact CG-CD1 3.95Å; F396-L416 HydrophobicContact CZ-CB 4.11Å; S412-L416 WeakPolarHBondContact O-CB 3.48Å; S412-L416 PolarHBondContact O-N 3.32Å; V413-L416 PolarHBondContact O-N 3.25Å; L416-C418 VanDerWaalsContact C-N 3.33Å; L416-C418 PolarHBondContact O-N 3.01Å; L416-L419 PolarHBondContact O-N 3.19Å; L416-R420 HydrophobicContact CD1-CG 4.43Å; L416-R420 WeakPolarHBondContact O-CG 3.36Å; L416-R420 PolarHBondContact O-N 3.42Å
417	N	94.5	Very high	96	Very high	36 Å²	36	35.4 Å²	35.4	19%	0.193	19%	0.19	C	C	.	.	H	α-helix	trans	-61.3	-42.1	175.7	-72.6	-23.2	0	0	0	111.9	V413 T414 M415 R420 Q421	V413-N417 WeakPolarHBondContact O-CB 3.31Å; V413-N417 VanDerWaalsContact O-CG 3.3Å; V413-N417 PolarHBondContact O-N 3.47Å; V413-N417 PolarHBondContact O-ND2 3.18Å; T414-N417 PolarHBondContact O-N 3.11Å; M415-N417 PolarHBondContact O-N 2.97Å; N417-R420 PolarHBondContact O-N 2.92Å; N417-Q421 WeakPolarHBondContact O-CG 3.5Å; N417-Q421 PolarHBondContact O-N 3.09Å
418	C	96.8	Very high	95.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59.3	-49.9	175.1	-174.5	0	0	0	0	111.7	T414 M415 L416 R420 Q421 I422 C520 F522	T414-C418 WeakPolarHBondContact O-CB 3.3Å; T414-C418 PolarHBondContact O-N 3.39Å; M415-C418 WeakPolarHBondContact O-CB 3.24Å; M415-C418 PolarHBondContact O-N 2.64Å; L416-C418 VanDerWaalsContact C-N 3.33Å; L416-C418 PolarHBondContact O-N 3.01Å; C418-R420 VanDerWaalsContact C-N 3.32Å; C418-R420 PolarHBondContact O-N 3.47Å; C418-Q421 PolarHBondContact O-N 3.14Å; C418-Q421 VanDerWaalsContact O-N 3.15Å; C418-I422 WeakPolarHBondContact O-CG1 3.25Å; C418-I422 PolarHBondContact O-N 3.03Å; C418-C520 HydrophobicContact CB-CB 4.14Å; C418-F522 HydrophobicContact CB-CD1 4.45Å
419	L	97.3	Very high	95.7	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.9	-37.5	178.6	-71.4	174.7	0	0	0	112.7	L391 F396 F399 M415 L416 I422 E423 A471	L391-L419 HydrophobicContact CG-CD2 4.42Å; F396-L419 HydrophobicContact CB-CD1 3.79Å; F396-L419 HydrophobicContact CD2-CD1 4.16Å; F396-L419 HydrophobicContact CG-CD1 4.47Å; F399-L419 HydrophobicContact CD2-CD1 3.97Å; F399-L419 HydrophobicContact CE2-CD1 4.2Å; F399-L419 HydrophobicContact CE2-CD2 4.08Å; M415-L419 HydrophobicContact CE-CD1 3.99Å; M415-L419 HydrophobicContact CE-CD2 3.73Å; M415-L419 HydrophobicContact CE-CG 3.69Å; M415-L419 HydrophobicContact CG-CD1 4.4Å; M415-L419 WeakPolarHBondContact O-CG 3.26Å; M415-L419 PolarHBondContact O-N 3.34Å; L416-L419 PolarHBondContact O-N 3.19Å; L419-I422 HydrophobicContact CD2-CD1 4.44Å; L419-I422 PolarHBondContact O-N 3.35Å; L419-E423 WeakPolarHBondContact O-CB 3.18Å; L419-E423 PolarHBondContact O-N 2.9Å; L419-A471 HydrophobicContact CD2-CB 4.14Å
420	R	95.2	Very high	95.7	Very high	74 Å²	74	35.3 Å²	35.3	28%	0.279	20%	0.201	S	C	.	.	H	α-helix	trans	-64.2	-40.6	174.6	-71.5	178.7	69.3	-166.3	10.5	112.4	N355 S392 L416 N417 C418 E423 S424	N355-R420 PolarHBondContact O-NH1 3.46Å; N355-R420 PolarHBondContact O-NH2 2.83Å; S392-R420 VanDerWaalsContact CB-CG 3.48Å; L416-R420 HydrophobicContact CD1-CG 4.43Å; L416-R420 WeakPolarHBondContact O-CG 3.36Å; L416-R420 PolarHBondContact O-N 3.42Å; N417-R420 PolarHBondContact O-N 2.92Å; C418-R420 VanDerWaalsContact C-N 3.32Å; C418-R420 PolarHBondContact O-N 3.47Å; R420-E423 PolarHBondContact O-N 3.01Å; R420-S424 WeakPolarHBondContact O-CB 3.48Å; R420-S424 PolarHBondContact O-N 3.42Å; R420-S424 PolarHBondContact O-OG 3.35Å
421	Q	96.1	Very high	95.7	Very high	63 Å²	63	35.8 Å²	35.8	29%	0.294	20%	0.204	S	C	.	.	H	α-helix	trans	-71.9	-33.4	178.3	-71.5	-69.2	-35.9	0	0	112.2	N417 C418 S424 R425 L513 Q517 C520	N417-Q421 WeakPolarHBondContact O-CG 3.5Å; N417-Q421 PolarHBondContact O-N 3.09Å; C418-Q421 PolarHBondContact O-N 3.14Å; C418-Q421 VanDerWaalsContact O-N 3.15Å; Q421-S424 PolarHBondContact O-OG 3.02Å; Q421-R425 WeakPolarHBondContact O-CG 3.01Å; Q421-R425 PolarHBondContact O-NH1 3.24Å; Q421-R425 VanDerWaalsContact OE1-NH1 3.12Å; Q421-L513 HydrophobicContact CB-CD1 3.85Å; Q421-L513 HydrophobicContact CB-CD2 3.87Å; Q421-L513 HydrophobicContact CB-CG 4.47Å; Q421-Q517 VanDerWaalsContact CD-OE1 3.28Å; Q421-C520 VanDerWaalsContact CG-SG 3.57Å
422	I	97.7	Very high	95.8	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-63.4	-53.1	169.3	-72.4	163.9	0	0	0	109.9	L391 C418 L419 S424 R425 Y426 F468 A471 I472 I475 L513	L391-I422 HydrophobicContact CD2-CG2 3.88Å; C418-I422 WeakPolarHBondContact O-CG1 3.25Å; C418-I422 PolarHBondContact O-N 3.03Å; L419-I422 HydrophobicContact CD2-CD1 4.44Å; L419-I422 PolarHBondContact O-N 3.35Å; I422-S424 VanDerWaalsContact C-N 3.29Å; I422-S424 PolarHBondContact O-N 3.32Å; I422-R425 WeakPolarHBondContact O-CB 3.49Å; I422-R425 PolarHBondContact O-N 2.77Å; I422-Y426 HydrophobicContact CG2-CD2 4.31Å; I422-Y426 HydrophobicContact CG2-CE2 3.76Å; I422-Y426 WeakPolarHBondContact O-CD2 3.1Å; I422-Y426 PolarHBondContact O-N 3.43Å; I422-F468 HydrophobicContact CD1-CE2 3.79Å; I422-F468 HydrophobicContact CD1-CZ 4.3Å; I422-A471 WeakPolarHBondContact CG2-O 3.29Å; I422-I472 HydrophobicContact CD1-CG2 3.65Å; I422-I472 HydrophobicContact CG1-CG2 4.11Å; I422-I472 HydrophobicContact CG2-CG2 4.21Å; I422-I475 HydrophobicContact CB-CD1 4.22Å; I422-I475 HydrophobicContact CG1-CD1 4.17Å; I422-I475 HydrophobicContact CG2-CD1 4Å; I422-L513 HydrophobicContact CG1-CD2 3.77Å
423	E	97.1	Very high	96	Very high	10 Å²	10	35 Å²	35	5%	0.047	20%	0.195	C	C	.	.	H	α-helix	trans	-56.9	-40.8	-179.8	-176.8	169.8	-114.6	0	0	112.3	H389 P390 L391 S392 L419 R420 R425 Y426	H389-E423 VanDerWaalsContact CA-CD 3.48Å; H389-E423 VanDerWaalsContact CA-OE1 3.24Å; H389-E423 WeakPolarHBondContact CA-OE1 3.19Å; H389-E423 WeakPolarHBondContact CA-OE2 3.45Å; H389-E423 IonicContact CG-OE2 3.59Å; H389-E423 IonicContact ND1-OE2 2.89Å; H389-E423 PolarHBondContact ND1-OE2 3.29Å; P390-E423 VanDerWaalsContact CD-OE1 3.25Å; P390-E423 WeakPolarHBondContact CD-OE1 3.18Å; L391-E423 WeakPolarHBondContact CA-OE1 3.29Å; L391-E423 HydrophobicContact CB-CB 4.42Å; L391-E423 HydrophobicContact CB-CG 4.36Å; L391-E423 VanDerWaalsContact CB-OE1 3.3Å; L391-E423 WeakPolarHBondContact CB-OE1 3.33Å; L391-E423 HydrophobicContact CD2-CB 4.38Å; L391-E423 PolarHBondContact N-OE1 3.08Å; S392-E423 VanDerWaalsContact CB-OE2 3.32Å; S392-E423 WeakPolarHBondContact CB-OE2 3.34Å; S392-E423 PolarHBondContact N-OE1 3.33Å; S392-E423 PolarHBondContact OG-OE2 3.32Å; L419-E423 WeakPolarHBondContact O-CB 3.18Å; L419-E423 PolarHBondContact O-N 2.9Å; R420-E423 PolarHBondContact O-N 3.01Å; E423-R425 PolarHBondContact O-N 3.25Å; E423-R425 VanDerWaalsContact O-N 3.15Å; E423-Y426 PolarHBondContact O-N 2.65Å; E423-Y426 VanDerWaalsContact O-N 3.15Å
424	S	96	Very high	96.2	Very high	79 Å²	79	32.8 Å²	32.8	55%	0.552	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-14.6	177	72	0	0	0	0	115.1	R420 Q421 I422	R420-S424 WeakPolarHBondContact O-CB 3.48Å; R420-S424 PolarHBondContact O-N 3.42Å; R420-S424 PolarHBondContact O-OG 3.35Å; Q421-S424 PolarHBondContact O-OG 3.02Å; I422-S424 VanDerWaalsContact C-N 3.29Å; I422-S424 PolarHBondContact O-N 3.32Å
425	R	97	Very high	96.4	Very high	67 Å²	67	32.8 Å²	32.8	25%	0.253	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-9.4	177.8	-72	172	170.6	74.6	-1.2	112.9	Q421 I422 E423 I475 D476	Q421-R425 WeakPolarHBondContact O-CG 3.01Å; Q421-R425 PolarHBondContact O-NH1 3.24Å; Q421-R425 VanDerWaalsContact OE1-NH1 3.12Å; I422-R425 WeakPolarHBondContact O-CB 3.49Å; I422-R425 PolarHBondContact O-N 2.77Å; E423-R425 PolarHBondContact O-N 3.25Å; E423-R425 VanDerWaalsContact O-N 3.15Å; R425-I475 HydrophobicContact CB-CD1 3.94Å; R425-I475 HydrophobicContact CB-CG1 3.75Å; R425-D476 WeakPolarHBondContact O-CA 3.4Å; R425-D476 PolarHBondContact O-N 3.17Å
426	Y	98.1	Very high	96.4	Very high	9 Å²	9	33.1 Å²	33.1	4%	0.035	18%	0.183	C	C	.	.	S	Bend	trans	-71.4	136.2	164.6	-80.5	-84	0	0	0	109.5	L391 I422 E423 S428 N434 A438 A471 D474 I475	L391-Y426 HydrophobicContact CD2-CE2 4.26Å; I422-Y426 HydrophobicContact CG2-CD2 4.31Å; I422-Y426 HydrophobicContact CG2-CE2 3.76Å; I422-Y426 WeakPolarHBondContact O-CD2 3.1Å; I422-Y426 PolarHBondContact O-N 3.43Å; E423-Y426 PolarHBondContact O-N 2.65Å; E423-Y426 VanDerWaalsContact O-N 3.15Å; Y426-S428 PolarHBondContact O-N 3.15Å; Y426-N434 VanDerWaalsContact CD1-C 3.46Å; Y426-A438 HydrophobicContact CE1-CB 3.85Å; Y426-A438 HydrophobicContact CE2-CB 3.83Å; Y426-A438 VanDerWaalsContact OH-CB 3.23Å; Y426-A438 WeakPolarHBondContact OH-CB 3.24Å; Y426-A471 WeakPolarHBondContact CE2-O 3.42Å; Y426-A471 PolarHBondContact OH-O 3.03Å; Y426-D474 HydrophobicContact CE1-CB 3.82Å; Y426-D474 WeakPolarHBondContact CE1-O 3.13Å; Y426-I475 HydrophobicContact CD2-CG1 4.5Å; Y426-I475 HydrophobicContact CE2-CB 4.17Å; Y426-I475 HydrophobicContact CE2-CG1 4.3Å; Y426-I475 PolarHBondContact OH-N 3.38Å
427	N	94.5	Very high	96.6	Very high	58 Å²	58	33.1 Å²	33.1	31%	0.31	18%	0.183	S	C	.	.			trans	-71.4	103.1	178	-178.1	0.3	0	0	0	110.1	T429 A430	N427-T429 PolarHBondContact ND2-OG1 3.24Å; N427-T429 PolarHBondContact O-N 2.72Å; N427-T429 WeakPolarHBondContact OD1-CB 3.34Å; N427-T429 PolarHBondContact OD1-N 3.04Å; N427-T429 PolarHBondContact OD1-OG1 3.08Å; N427-A430 HydrophobicContact CB-CB 4.07Å; N427-A430 VanDerWaalsContact O-CB 3.31Å; N427-A430 WeakPolarHBondContact O-CB 3.36Å; N427-A430 PolarHBondContact O-N 2.96Å
428	S	91.4	Very high	96.8	Very high	109 Å²	109	31.4 Å²	31.4	76%	0.762	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-17.3	177.2	59.6	0	0	0	0	114.7	Y426	Y426-S428 PolarHBondContact O-N 3.15Å
429	T	93.6	Very high	96.9	Very high	92 Å²	92	31.4 Å²	31.4	56%	0.564	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-11.2	177.8	70.3	0	0	0	0	113.6	N427 R616	N427-T429 PolarHBondContact ND2-OG1 3.24Å; N427-T429 PolarHBondContact O-N 2.72Å; N427-T429 WeakPolarHBondContact OD1-CB 3.34Å; N427-T429 PolarHBondContact OD1-N 3.04Å; N427-T429 PolarHBondContact OD1-OG1 3.08Å; T429-R616 PolarHBondContact O-NH1 3.43Å
430	A	96.1	Very high	96.9	Very high	7 Å²	7	31.6 Å²	31.6	6%	0.058	17%	0.174	C	C	.	.			trans	-68.8	126.6	176.1	0	0	0	0	0	109.6	N427 N434	N427-A430 HydrophobicContact CB-CB 4.07Å; N427-A430 VanDerWaalsContact O-CB 3.31Å; N427-A430 WeakPolarHBondContact O-CB 3.36Å; N427-A430 PolarHBondContact O-N 2.96Å; A430-N434 HydrophobicContact CB-CB 4.47Å; A430-N434 PolarHBondContact O-ND2 3.26Å
431	P	97.2	Very high	97.1	Very high	15 Å²	15	28.1 Å²	28.1	10%	0.097	16%	0.161	C	C	.	.	S	Bend	trans	-61.8	-42.7	-179.4	-24.3	34.2	0	0	0	113.7	N434 R609 E612 E613	P431-N434 PolarHBondContact O-ND2 3.16Å; P431-R609 HydrophobicContact CB-CB 4.47Å; P431-R609 VanDerWaalsContact CB-O 3.31Å; P431-R609 WeakPolarHBondContact CB-O 3.3Å; P431-R609 WeakPolarHBondContact O-CB 3.45Å; P431-R609 WeakPolarHBondContact O-CD 3.36Å; P431-R609 VanDerWaalsContact O-CG 3.3Å; P431-R609 WeakPolarHBondContact O-CG 3.44Å; P431-R609 PolarHBondContact O-NH1 3.06Å; P431-E612 HydrophobicContact CB-CB 4.21Å; P431-E612 HydrophobicContact CB-CG 4.03Å; P431-E612 HydrophobicContact CG-CB 4.3Å; P431-E612 HydrophobicContact CG-CG 3.7Å; P431-E613 HydrophobicContact CB-CB 4.16Å; P431-E613 WeakPolarHBondContact CD-OE2 3.35Å; P431-E613 HydrophobicContact CG-CB 4.07Å
432	F	98.3	Very high	97.2	Very high	12 Å²	12	25.1 Å²	25.1	5%	0.053	15%	0.147	C	C	.	.	S	Bend	trans	-112.3	-64.2	-173.1	-174.7	-87.8	0	0	0	112.9	N434 H437 N595 W606 R609 I610 E613	F432-N434 PolarHBondContact O-N 3.09Å; F432-H437 AromaticContact CE1-CD2 3.9Å; F432-H437 AromaticContact CE1-CE1 3.63Å; F432-H437 AromaticContact CE1-CG 3.93Å; F432-H437 AromaticContact CE1-ND1 3.77Å; F432-H437 AromaticContact CE1-NE2 3.7Å; F432-H437 AromaticContact CZ-CE1 3.77Å; F432-H437 AromaticContact CZ-ND1 3.78Å; F432-H437 WeakPolarHBondContact O-CB 3.36Å; F432-N595 VanDerWaalsContact CE2-ND2 3.28Å; F432-N595 WeakPolarHBondContact CE2-ND2 3.49Å; F432-N595 VanDerWaalsContact CZ-ND2 3.26Å; F432-N595 WeakPolarHBondContact CZ-ND2 3.36Å; F432-W606 AromaticContact CD2-CE3 3.72Å; F432-W606 HydrophobicContact CD2-CE3 3.72Å; F432-W606 HydrophobicContact CD2-CZ3 4.21Å; F432-W606 HydrophobicContact CE2-CD2 4.36Å; F432-W606 AromaticContact CE2-CE3 3.69Å; F432-W606 HydrophobicContact CE2-CE3 3.69Å; F432-W606 HydrophobicContact CE2-CZ3 4.35Å; F432-R609 HydrophobicContact CB-CB 4.25Å; F432-R609 HydrophobicContact CD2-CB 4.25Å; F432-I610 HydrophobicContact CB-CB 4.38Å; F432-I610 HydrophobicContact CB-CD1 4.01Å; F432-I610 HydrophobicContact CD1-CD1 3.71Å; F432-I610 HydrophobicContact CD2-CB 3.57Å; F432-I610 HydrophobicContact CD2-CD1 4.01Å; F432-I610 HydrophobicContact CD2-CG1 4.29Å; F432-I610 HydrophobicContact CE1-CD1 4.12Å; F432-I610 HydrophobicContact CE2-CB 3.98Å; F432-I610 HydrophobicContact CE2-CD1 4.38Å; F432-I610 HydrophobicContact CG-CB 4.02Å; F432-I610 HydrophobicContact CG-CD1 3.63Å; F432-I610 HydrophobicContact CG-CG1 4.39Å; F432-I610 HydrophobicContact CZ-CD1 4.43Å; F432-E613 WeakPolarHBondContact CA-OE2 3.48Å; F432-E613 HydrophobicContact CB-CB 4.36Å; F432-E613 WeakPolarHBondContact CB-OE2 3.43Å; F432-E613 PolarHBondContact N-OE2 3.38Å
433	H	98.5	Very high	97.2	Very high	35 Å²	35	25.3 Å²	25.3	16%	0.162	15%	0.148	C	C	.	.	S	Bend	trans	-77.8	70	-173.9	-60.1	99.8	0	0	0	111.3	D474 H477 E613	H433-D474 IonicContact CD2-OD2 3.91Å; H433-D474 PolarHBondContact CD2-OD2 2.75Å; H433-D474 VanDerWaalsContact CD2-OD2 3.32Å; H433-H477 HydrophobicContact CB-CB 3.82Å; H433-H477 WeakPolarHBondContact CB-ND1 3.3Å; H433-H477 AromaticContact CE1-CE1 3.9Å; H433-H477 AromaticContact CG-CE1 3.68Å; H433-H477 AromaticContact CG-CG 3.9Å; H433-H477 AromaticContact CG-ND1 3.64Å; H433-H477 AromaticContact CG-NE2 3.94Å; H433-H477 AromaticContact ND1-CE1 3.34Å; H433-H477 PolarHBondContact ND1-CE1 3.44Å; H433-H477 VanDerWaalsContact ND1-CE1 3.34Å; H433-H477 AromaticContact ND1-ND1 3.66Å; H433-H477 AromaticContact ND1-NE2 3.83Å; H433-E613 IonicContact CE1-OE1 2.72Å; H433-E613 IonicContact CG-OE1 3.9Å; H433-E613 PolarHBondContact N-OE2 2.86Å; H433-E613 VanDerWaalsContact N-OE2 3.13Å; H433-E613 IonicContact ND1-OE1 3.27Å; H433-E613 PolarHBondContact ND1-OE1 3.45Å
434	N	98	Very high	97.2	Very high	8 Å²	8	25 Å²	25	4%	0.043	15%	0.147	C	C	.	.	S	Bend	trans	-127.7	-176.4	-179.9	61.7	46.4	0	0	0	111.1	Y426 A430 P431 F432 I436 H437 A438	Y426-N434 VanDerWaalsContact CD1-C 3.46Å; A430-N434 HydrophobicContact CB-CB 4.47Å; A430-N434 PolarHBondContact O-ND2 3.26Å; P431-N434 PolarHBondContact O-ND2 3.16Å; F432-N434 PolarHBondContact O-N 3.09Å; N434-I436 PolarHBondContact O-N 2.92Å; N434-I436 VanDerWaalsContact OD1-CB 3.24Å; N434-I436 WeakPolarHBondContact OD1-CB 3.4Å; N434-I436 WeakPolarHBondContact OD1-CG1 3.41Å; N434-I436 PolarHBondContact OD1-N 3.3Å; N434-H437 PolarHBondContact O-N 3.12Å; N434-H437 VanDerWaalsContact O-N 3.09Å; N434-H437 PolarHBondContact OD1-N 2.94Å; N434-A438 PolarHBondContact O-N 2.74Å; N434-A438 VanDerWaalsContact O-N 3.15Å
435	S	98	Very high	97.2	Very high	13 Å²	13	21.2 Å²	21.2	9%	0.091	12%	0.121	C	C	.	.	H	α-helix	trans	-63.4	-23.6	-176.8	57.1	0	0	0	0	114.3	L439	S435-L439 WeakPolarHBondContact O-CB 3.46Å; S435-L439 PolarHBondContact O-N 3.32Å
436	I	98.3	Very high	97.1	Very high	7 Å²	7	19 Å²	19	4%	0.036	11%	0.113	C	C	.	.	H	α-helix	trans	-68.1	-43.6	175	-49.2	175.5	0	0	0	109.3	L379 F380 D383 P390 N434 L439 D440 W606	L379-I436 HydrophobicContact CB-CG2 3.96Å; F380-I436 HydrophobicContact CD1-CD1 4.32Å; F380-I436 HydrophobicContact CD1-CG2 4.05Å; F380-I436 HydrophobicContact CE1-CG2 4.2Å; D383-I436 HydrophobicContact CB-CD1 3.66Å; D383-I436 HydrophobicContact CB-CG1 3.93Å; P390-I436 HydrophobicContact CG-CG1 4.18Å; N434-I436 PolarHBondContact O-N 2.92Å; N434-I436 VanDerWaalsContact OD1-CB 3.24Å; N434-I436 WeakPolarHBondContact OD1-CB 3.4Å; N434-I436 WeakPolarHBondContact OD1-CG1 3.41Å; N434-I436 PolarHBondContact OD1-N 3.3Å; I436-L439 PolarHBondContact O-N 3.03Å; I436-D440 PolarHBondContact O-N 3.22Å; I436-W606 HydrophobicContact CB-CH2 4.15Å; I436-W606 HydrophobicContact CG2-CH2 3.8Å; I436-W606 HydrophobicContact CG2-CZ2 4.17Å
437	H	98.5	Very high	96.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-64.9	-46.4	177.7	174	56.4	0	0	0	111	F432 N434 L439 D440 V441 H473 D474 D592 W606	F432-H437 AromaticContact CE1-CD2 3.9Å; F432-H437 AromaticContact CE1-CE1 3.63Å; F432-H437 AromaticContact CE1-CG 3.93Å; F432-H437 AromaticContact CE1-ND1 3.77Å; F432-H437 AromaticContact CE1-NE2 3.7Å; F432-H437 AromaticContact CZ-CE1 3.77Å; F432-H437 AromaticContact CZ-ND1 3.78Å; F432-H437 WeakPolarHBondContact O-CB 3.36Å; N434-H437 PolarHBondContact O-N 3.12Å; N434-H437 VanDerWaalsContact O-N 3.09Å; N434-H437 PolarHBondContact OD1-N 2.94Å; H437-L439 PolarHBondContact O-N 3.49Å; H437-D440 WeakPolarHBondContact O-CA 3.35Å; H437-D440 WeakPolarHBondContact O-CB 3.3Å; H437-D440 PolarHBondContact O-N 2.83Å; H437-V441 WeakPolarHBondContact O-CG2 3.34Å; H437-V441 PolarHBondContact O-N 2.9Å; H437-H473 AromaticContact NE2-CE1 3.98Å; H437-H473 AromaticContact NE2-NE2 3.5Å; H437-H473 PolarHBondContact NE2-NE2 2.93Å; H437-D474 IonicContact CD2-OD2 3.61Å; H437-D474 PolarHBondContact CD2-OD2 2.93Å; H437-D474 IonicContact NE2-OD2 3.88Å; H437-D474 PolarHBondContact NE2-OD2 3.19Å; H437-D592 IonicContact CE1-OD1 2.99Å; H437-D592 PolarHBondContact CE1-OD1 2.98Å; H437-D592 VanDerWaalsContact CE1-OD1 3.25Å; H437-D592 IonicContact NE2-OD1 3.43Å; H437-D592 PolarHBondContact NE2-OD1 2.96Å; H437-W606 HydrophobicContact CB-CH2 3.92Å; H437-W606 HydrophobicContact CB-CZ3 4.02Å
438	A	98.6	Very high	96.8	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-54.7	-40.4	173.9	0	0	0	0	0	113	L391 Y426 N434 L442	L391-A438 HydrophobicContact CD2-CB 4.49Å; Y426-A438 HydrophobicContact CE1-CB 3.85Å; Y426-A438 HydrophobicContact CE2-CB 3.83Å; Y426-A438 VanDerWaalsContact OH-CB 3.23Å; Y426-A438 WeakPolarHBondContact OH-CB 3.24Å; N434-A438 PolarHBondContact O-N 2.74Å; N434-A438 VanDerWaalsContact O-N 3.15Å; A438-L442 WeakPolarHBondContact O-CB 3.31Å; A438-L442 PolarHBondContact O-N 3.04Å
439	L	98.4	Very high	96.7	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-68	-39.2	173.7	177.7	63.9	0	0	0	112.5	L379 L382 P390 L391 F394 G395 L398 S435 I436 H437 V441 L442 H443	L379-L439 HydrophobicContact CD1-CB 4.5Å; L379-L439 HydrophobicContact CD1-CD2 4.19Å; L379-L439 HydrophobicContact CD1-CG 3.99Å; L379-L439 HydrophobicContact CD2-CD2 3.79Å; L379-L439 HydrophobicContact CD2-CG 4.29Å; L379-L439 HydrophobicContact CG-CD2 4.42Å; L382-L439 HydrophobicContact CD2-CD2 3.61Å; P390-L439 HydrophobicContact CB-CD2 3.73Å; P390-L439 WeakPolarHBondContact O-CD2 3.44Å; L391-L439 HydrophobicContact CD1-CB 4.26Å; L391-L439 HydrophobicContact CD1-CD1 4.35Å; F394-L439 HydrophobicContact CB-CD1 4.4Å; F394-L439 HydrophobicContact CB-CD2 4.16Å; F394-L439 HydrophobicContact CD1-CD1 4.11Å; F394-L439 HydrophobicContact CD1-CD2 4.23Å; F394-L439 HydrophobicContact CD1-CG 4.47Å; G395-L439 VanDerWaalsContact CA-CD1 3.47Å; G395-L439 VanDerWaalsContact N-CD1 3.33Å; L398-L439 HydrophobicContact CD1-CD1 4.44Å; S435-L439 WeakPolarHBondContact O-CB 3.46Å; S435-L439 PolarHBondContact O-N 3.32Å; I436-L439 PolarHBondContact O-N 3.03Å; H437-L439 PolarHBondContact O-N 3.49Å; L439-V441 VanDerWaalsContact C-N 3.34Å; L439-L442 HydrophobicContact CD1-CD2 4.41Å; L439-L442 PolarHBondContact O-N 3.48Å; L439-H443 VanDerWaalsContact O-CB 3.29Å; L439-H443 WeakPolarHBondContact O-CB 3.47Å; L439-H443 PolarHBondContact O-N 3.27Å
440	D	98.5	Very high	96.3	Very high	4 Å²	4	12.3 Å²	12.3	2%	0.021	6%	0.061	C	C	.	.	H	α-helix	trans	-63.6	-41.8	178.8	-163.3	29.9	0	0	0	111.4	L379 I436 H437 H443 A444 N595 K598 W606	L379-D440 VanDerWaalsContact CD1-CA 3.47Å; L379-D440 HydrophobicContact CD1-CB 3.69Å; I436-D440 PolarHBondContact O-N 3.22Å; H437-D440 WeakPolarHBondContact O-CA 3.35Å; H437-D440 WeakPolarHBondContact O-CB 3.3Å; H437-D440 PolarHBondContact O-N 2.83Å; D440-H443 PolarHBondContact O-N 2.76Å; D440-A444 WeakPolarHBondContact O-CB 3.47Å; D440-A444 PolarHBondContact O-N 3.24Å; D440-N595 PolarHBondContact OD2-OD1 3.16Å; D440-K598 IonicContact OD1-NZ 2.85Å; D440-K598 PolarHBondContact OD1-NZ 3.15Å; D440-K598 IonicContact OD2-NZ 3.31Å; D440-K598 PolarHBondContact OD2-NZ 2.8Å; D440-W606 HydrophobicContact CB-CZ2 3.77Å; D440-W606 PolarHBondContact OD2-NE1 3.1Å
441	V	98.6	Very high	95.8	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.006	6%	0.063	C	C	.	.	H	α-helix	trans	-64	-46.9	173.2	-179.5	0	0	0	0	110.8	H437 L439 H443 A444 T445 H473 A591 D592	H437-V441 WeakPolarHBondContact O-CG2 3.34Å; H437-V441 PolarHBondContact O-N 2.9Å; L439-V441 VanDerWaalsContact C-N 3.34Å; V441-H443 VanDerWaalsContact C-N 3.28Å; V441-H443 PolarHBondContact O-N 3.32Å; V441-A444 PolarHBondContact O-N 3.23Å; V441-T445 WeakPolarHBondContact O-CB 3.3Å; V441-T445 PolarHBondContact O-N 3.14Å; V441-T445 PolarHBondContact O-OG1 2.91Å; V441-T445 VanDerWaalsContact O-OG1 3.07Å; V441-H473 VanDerWaalsContact CG2-CE1 3.47Å; V441-H473 WeakPolarHBondContact CG2-CE1 3.44Å; V441-A591 HydrophobicContact CG1-CB 3.98Å; V441-D592 HydrophobicContact CG1-CB 4.38Å; V441-D592 HydrophobicContact CG2-CB 4.31Å
442	L	98.4	Very high	94.6	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-57.4	-41.7	175.2	175.3	59.7	0	0	0	112.2	L391 L398 F399 A438 L439 Y446 F467	L391-L442 HydrophobicContact CD1-CD2 4.02Å; L398-L442 HydrophobicContact CD1-CD2 4.36Å; L398-L442 HydrophobicContact CD1-CG 4.01Å; F399-L442 HydrophobicContact CE2-CD1 4.45Å; F399-L442 HydrophobicContact CE2-CD2 4.03Å; A438-L442 WeakPolarHBondContact O-CB 3.31Å; A438-L442 PolarHBondContact O-N 3.04Å; L439-L442 HydrophobicContact CD1-CD2 4.41Å; L439-L442 PolarHBondContact O-N 3.48Å; L442-Y446 PolarHBondContact O-N 3.5Å; L442-F467 HydrophobicContact CD1-CB 3.79Å; L442-F467 HydrophobicContact CD1-CD1 3.67Å; L442-F467 HydrophobicContact CD1-CE1 4.38Å; L442-F467 HydrophobicContact CD1-CG 3.77Å; L442-F467 WeakPolarHBondContact CD1-O 3.42Å
443	H	97.5	Very high	93.4	Very high	5 Å²	5	19.2 Å²	19.2	2%	0.023	10%	0.101	C	C	.	.	H	α-helix	trans	-70.1	-42.2	179	-177.7	-105.5	0	0	0	112.2	N374 P377 F394 L398 L439 D440 V441 T445 Y446 Q447	N374-H443 PolarHBondContact O-CE1 3.47Å; P377-H443 WeakPolarHBondContact CD-CE1 3.41Å; P377-H443 WeakPolarHBondContact CG-CE1 3.38Å; F394-H443 AromaticContact CE1-CD2 3.49Å; F394-H443 VanDerWaalsContact CE1-CD2 3.49Å; F394-H443 WeakPolarHBondContact CE1-CD2 3.28Å; F394-H443 AromaticContact CE1-NE2 3.96Å; F394-H443 AromaticContact CZ-CD2 3.98Å; L398-H443 HydrophobicContact CD1-CB 4.07Å; L439-H443 VanDerWaalsContact O-CB 3.29Å; L439-H443 WeakPolarHBondContact O-CB 3.47Å; L439-H443 PolarHBondContact O-N 3.27Å; D440-H443 PolarHBondContact O-N 2.76Å; V441-H443 VanDerWaalsContact C-N 3.28Å; V441-H443 PolarHBondContact O-N 3.32Å; H443-T445 VanDerWaalsContact C-N 3.35Å; H443-Y446 WeakPolarHBondContact O-CB 3.49Å; H443-Y446 PolarHBondContact O-N 2.81Å; H443-Q447 PolarHBondContact CE1-NE2 3.48Å; H443-Q447 PolarHBondContact ND1-NE2 3.1Å; H443-Q447 WeakPolarHBondContact O-CG 3.46Å; H443-Q447 PolarHBondContact O-N 2.97Å
444	A	96.8	Very high	92.6	Very high	3 Å²	3	17.7 Å²	17.7	3%	0.025	9%	0.094	C	C	.	.	H	α-helix	trans	-61.9	-42.1	173.9	0	0	0	0	0	111.5	D440 V441 Y446 Q447 L448 A591	D440-A444 WeakPolarHBondContact O-CB 3.47Å; D440-A444 PolarHBondContact O-N 3.24Å; V441-A444 PolarHBondContact O-N 3.23Å; A444-Y446 PolarHBondContact O-N 3.2Å; A444-Q447 WeakPolarHBondContact O-CB 3.5Å; A444-Q447 PolarHBondContact O-N 3.46Å; A444-L448 WeakPolarHBondContact O-CG 3.48Å; A444-L448 PolarHBondContact O-N 3.12Å; A444-A591 HydrophobicContact CB-CB 3.77Å
445	T	96.9	Very high	91.5	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-57.2	-47.7	170.9	-64.7	0	0	0	0	111.1	V441 H443 Q447 L448 F449 I466 F467 S470 I587 A591	V441-T445 WeakPolarHBondContact O-CB 3.3Å; V441-T445 PolarHBondContact O-N 3.14Å; V441-T445 PolarHBondContact O-OG1 2.91Å; V441-T445 VanDerWaalsContact O-OG1 3.07Å; H443-T445 VanDerWaalsContact C-N 3.35Å; T445-Q447 VanDerWaalsContact C-N 3.3Å; T445-Q447 PolarHBondContact O-N 2.93Å; T445-L448 PolarHBondContact O-N 3.47Å; T445-F449 HydrophobicContact CG2-CD2 4.26Å; T445-F449 HydrophobicContact CG2-CE2 4.3Å; T445-F449 WeakPolarHBondContact O-CD2 3.4Å; T445-F449 PolarHBondContact O-N 3.09Å; T445-I466 HydrophobicContact CG2-CD1 3.91Å; T445-I466 HydrophobicContact CG2-CG1 3.91Å; T445-I466 HydrophobicContact CG2-CG2 4.07Å; T445-F467 HydrophobicContact CG2-CD2 4.22Å; T445-F467 HydrophobicContact CG2-CE2 4.17Å; T445-S470 PolarHBondContact OG1-OG 2.85Å; T445-I587 HydrophobicContact CG2-CG2 4.23Å; T445-A591 WeakPolarHBondContact OG1-CB 3.32Å
446	Y	95.1	Very high	90.5	Very high	21 Å²	21	29.3 Å²	29.3	8%	0.082	15%	0.15	C	C	.	.	H	α-helix	trans	-57.2	-42.7	176.8	171.5	-91.2	0	0	0	112.1	L398 K401 T402 L442 H443 A444 F449 Q450 F467	L398-Y446 HydrophobicContact CD2-CD1 3.96Å; L398-Y446 HydrophobicContact CD2-CD2 4.1Å; L398-Y446 HydrophobicContact CD2-CE1 4.31Å; L398-Y446 HydrophobicContact CD2-CE2 4.47Å; L398-Y446 HydrophobicContact CD2-CG 3.88Å; K401-Y446 HydrophobicContact CD-CE2 4.2Å; K401-Y446 WeakPolarHBondContact CD-OH 3.36Å; K401-Y446 WeakPolarHBondContact CE-OH 3.18Å; K401-Y446 HydrophobicContact CG-CE2 4.3Å; T402-Y446 HydrophobicContact CG2-CD2 3.95Å; T402-Y446 HydrophobicContact CG2-CE2 3.91Å; L442-Y446 PolarHBondContact O-N 3.5Å; H443-Y446 WeakPolarHBondContact O-CB 3.49Å; H443-Y446 PolarHBondContact O-N 2.81Å; A444-Y446 PolarHBondContact O-N 3.2Å; Y446-F449 WeakPolarHBondContact O-CB 3.31Å; Y446-F449 PolarHBondContact O-N 2.86Å; Y446-Q450 HydrophobicContact CD1-CG 4.25Å; Y446-Q450 HydrophobicContact CE1-CG 3.75Å; Y446-Q450 WeakPolarHBondContact O-CG 3.38Å; Y446-Q450 PolarHBondContact O-N 3.42Å; Y446-Q450 VanDerWaalsContact O-N 3.16Å; Y446-Q450 PolarHBondContact OH-NE2 3.03Å; Y446-F467 AromaticContact CD2-CE1 3.82Å; Y446-F467 HydrophobicContact CD2-CE1 3.82Å; Y446-F467 AromaticContact CD2-CZ 3.65Å; Y446-F467 HydrophobicContact CD2-CZ 3.65Å; Y446-F467 HydrophobicContact CG-CE1 4.46Å; Y446-F467 HydrophobicContact CG-CZ 4.21Å
447	Q	92.3	Very high	89.9	Confident	24 Å²	24	31.4 Å²	31.4	11%	0.112	16%	0.161	C	C	.	.	H	α-helix	trans	-66.1	-42.8	178.8	-71	174.1	-17.4	0	0	113.2	N374 L375 H443 A444 T445 F449 Q450	N374-Q447 PolarHBondContact O-NE2 3.49Å; L375-Q447 PolarHBondContact O-NE2 3.24Å; L375-Q447 PolarHBondContact O-OE1 3Å; H443-Q447 PolarHBondContact CE1-NE2 3.48Å; H443-Q447 PolarHBondContact ND1-NE2 3.1Å; H443-Q447 WeakPolarHBondContact O-CG 3.46Å; H443-Q447 PolarHBondContact O-N 2.97Å; A444-Q447 WeakPolarHBondContact O-CB 3.5Å; A444-Q447 PolarHBondContact O-N 3.46Å; T445-Q447 VanDerWaalsContact C-N 3.3Å; T445-Q447 PolarHBondContact O-N 2.93Å; Q447-F449 PolarHBondContact O-N 3.33Å; Q447-Q450 WeakPolarHBondContact O-CB 3.07Å; Q447-Q450 PolarHBondContact O-N 2.81Å
448	L	92.7	Very high	89.6	Confident	2 Å²	2	32.2 Å²	32.2	1%	0.01	17%	0.165	C	C	.	.	H	α-helix	trans	-58.7	-40.4	174.9	-69.9	172.4	0	0	0	110.1	A444 T445 Q450 C451 I587 A591 W655 M658 L662 L666	A444-L448 WeakPolarHBondContact O-CG 3.48Å; A444-L448 PolarHBondContact O-N 3.12Å; T445-L448 PolarHBondContact O-N 3.47Å; L448-Q450 VanDerWaalsContact C-N 3.26Å; L448-Q450 PolarHBondContact O-N 2.89Å; L448-C451 VanDerWaalsContact O-CB 3.24Å; L448-C451 WeakPolarHBondContact O-CB 3.35Å; L448-C451 PolarHBondContact O-N 2.78Å; L448-C451 VanDerWaalsContact O-N 3.08Å; L448-I587 HydrophobicContact CB-CG2 4.12Å; L448-I587 HydrophobicContact CD1-CG2 3.81Å; L448-A591 HydrophobicContact CD1-CB 4.42Å; L448-W655 HydrophobicContact CD1-CH2 4.42Å; L448-W655 HydrophobicContact CD2-CH2 4.17Å; L448-W655 HydrophobicContact CD2-CZ3 3.99Å; L448-M658 HydrophobicContact CD1-CE 4.35Å; L448-M658 HydrophobicContact CD2-CE 4.42Å; L448-L662 HydrophobicContact CD2-CD1 4.12Å; L448-L666 HydrophobicContact CD2-CD1 4.19Å; L448-L666 HydrophobicContact CD2-CD2 3.73Å
449	F	90.4	Very high	89.3	Confident	21 Å²	21	34.9 Å²	34.9	9%	0.092	18%	0.183	C	C	.	.	H	α-helix	trans	-65.3	-22.4	173.8	-90.1	-116.3	0	0	0	114.4	T445 Y446 Q447 C451 F458 T463 I466 F467 L584 I587	T445-F449 HydrophobicContact CG2-CD2 4.26Å; T445-F449 HydrophobicContact CG2-CE2 4.3Å; T445-F449 WeakPolarHBondContact O-CD2 3.4Å; T445-F449 PolarHBondContact O-N 3.09Å; Y446-F449 WeakPolarHBondContact O-CB 3.31Å; Y446-F449 PolarHBondContact O-N 2.86Å; Q447-F449 PolarHBondContact O-N 3.33Å; F449-C451 VanDerWaalsContact C-N 3.27Å; F449-F458 HydrophobicContact CD1-CD2 4.43Å; F449-F458 HydrophobicContact CE1-CB 4.21Å; F449-F458 AromaticContact CE1-CD2 3.6Å; F449-F458 HydrophobicContact CE1-CD2 3.6Å; F449-F458 HydrophobicContact CE1-CE2 4.37Å; F449-F458 HydrophobicContact CE1-CG 4.2Å; F449-F458 HydrophobicContact CE2-CD2 4.45Å; F449-F458 HydrophobicContact CE2-CE2 4.46Å; F449-F458 AromaticContact CZ-CD2 3.6Å; F449-F458 HydrophobicContact CZ-CD2 3.6Å; F449-F458 AromaticContact CZ-CE2 3.99Å; F449-F458 HydrophobicContact CZ-CE2 3.99Å; F449-F458 HydrophobicContact CZ-CG 4.22Å; F449-T463 HydrophobicContact CD1-CG2 4.07Å; F449-T463 HydrophobicContact CE1-CG2 3.93Å; F449-I466 HydrophobicContact CE1-CG2 4.33Å; F449-I466 HydrophobicContact CE2-CD1 4.02Å; F449-I466 HydrophobicContact CE2-CG2 3.81Å; F449-I466 HydrophobicContact CZ-CD1 4.49Å; F449-I466 HydrophobicContact CZ-CG2 3.55Å; F449-F467 HydrophobicContact CD1-CE2 4.48Å; F449-F467 HydrophobicContact CG-CE2 4.38Å; F449-L584 HydrophobicContact CE2-CD2 4.16Å; F449-L584 HydrophobicContact CZ-CD2 3.63Å; F449-I587 HydrophobicContact CD2-CG2 4.38Å; F449-I587 HydrophobicContact CE2-CD1 3.99Å; F449-I587 HydrophobicContact CE2-CG2 4.1Å
450	Q	85.2	Confident	89.2	Confident	81 Å²	81	37.6 Å²	37.6	38%	0.379	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-10.5	173.6	-60.7	-44.3	-50.5	0	0	113.5	Y446 Q447 L448 N452 K455	Y446-Q450 HydrophobicContact CD1-CG 4.25Å; Y446-Q450 HydrophobicContact CE1-CG 3.75Å; Y446-Q450 WeakPolarHBondContact O-CG 3.38Å; Y446-Q450 PolarHBondContact O-N 3.42Å; Y446-Q450 VanDerWaalsContact O-N 3.16Å; Y446-Q450 PolarHBondContact OH-NE2 3.03Å; Q447-Q450 WeakPolarHBondContact O-CB 3.07Å; Q447-Q450 PolarHBondContact O-N 2.81Å; L448-Q450 VanDerWaalsContact C-N 3.26Å; L448-Q450 PolarHBondContact O-N 2.89Å; Q450-N452 PolarHBondContact O-N 2.84Å; Q450-K455 WeakPolarHBondContact O-CE 3.46Å; Q450-K455 PolarHBondContact O-NZ 3.2Å
451	C	84.9	Confident	89.1	Confident	14 Å²	14	38 Å²	38	10%	0.095	20%	0.2	C	C	.	.	S	Bend	trans	-64.5	131.2	174.5	-67.7	0	0	0	0	110.3	L448 F449 S453 L454 K455 L662 L666	L448-C451 VanDerWaalsContact O-CB 3.24Å; L448-C451 WeakPolarHBondContact O-CB 3.35Å; L448-C451 PolarHBondContact O-N 2.78Å; L448-C451 VanDerWaalsContact O-N 3.08Å; F449-C451 VanDerWaalsContact C-N 3.27Å; C451-S453 PolarHBondContact O-N 3.15Å; C451-L454 PolarHBondContact O-N 2.99Å; C451-K455 PolarHBondContact O-N 3.14Å; C451-L662 HydrophobicContact CB-CD1 4.42Å; C451-L666 VanDerWaalsContact SG-CD2 3.56Å
452	N	72.4	Confident	89	Confident	128 Å²	128	38.4 Å²	38.4	68%	0.684	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-31.1	-175.1	-72.3	-18.9	0	0	0	113.2	Q450 L454 K455	Q450-N452 PolarHBondContact O-N 2.84Å; N452-L454 PolarHBondContact O-N 3.46Å; N452-K455 PolarHBondContact O-N 2.63Å; N452-K455 PolarHBondContact OD1-NZ 2.95Å
453	S	74.2	Confident	88.9	Confident	37 Å²	37	39.1 Å²	39.1	26%	0.259	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-19.8	179.5	-46.3	0	0	0	0	113.8	C451 I457	C451-S453 PolarHBondContact O-N 3.15Å; S453-I457 WeakPolarHBondContact O-CD1 3.46Å
454	L	80.2	Confident	88.9	Confident	3 Å²	3	38.9 Å²	38.9	2%	0.016	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-10.8	178.1	-62.8	-179.5	0	0	0	113.7	C451 N452 N456 I457 F458 I572 I583 I587 L662	C451-L454 PolarHBondContact O-N 2.99Å; N452-L454 PolarHBondContact O-N 3.46Å; L454-N456 PolarHBondContact O-N 3.04Å; L454-I457 HydrophobicContact CD2-CD1 4.47Å; L454-I457 PolarHBondContact O-N 3.31Å; L454-F458 HydrophobicContact CB-CE2 4.34Å; L454-F458 HydrophobicContact CD1-CE2 4.41Å; L454-F458 HydrophobicContact CD2-CE2 3.99Å; L454-F458 HydrophobicContact CD2-CZ 4.36Å; L454-F458 HydrophobicContact CG-CE2 4.46Å; L454-I572 HydrophobicContact CD2-CD1 4.18Å; L454-I583 HydrophobicContact CD2-CG2 4.38Å; L454-I587 HydrophobicContact CD1-CD1 3.57Å; L454-I587 HydrophobicContact CD1-CG1 4.41Å; L454-L662 HydrophobicContact CD1-CD1 3.93Å; L454-L662 HydrophobicContact CD1-CD2 3.82Å; L454-L662 HydrophobicContact CD2-CD2 3.78Å; L454-L662 HydrophobicContact CG-CD1 4.5Å; L454-L662 HydrophobicContact CG-CD2 3.53Å
455	K	75	Confident	89	Confident	97 Å²	97	38.8 Å²	38.8	42%	0.422	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	127.1	-178.1	-77.1	-176.4	179.7	160.7	0	110.6	Q450 C451 N452 I457	Q450-K455 WeakPolarHBondContact O-CE 3.46Å; Q450-K455 PolarHBondContact O-NZ 3.2Å; C451-K455 PolarHBondContact O-N 3.14Å; N452-K455 PolarHBondContact O-N 2.63Å; N452-K455 PolarHBondContact OD1-NZ 2.95Å; K455-I457 VanDerWaalsContact C-N 3.26Å; K455-I457 PolarHBondContact O-N 2.91Å
456	N	76.6	Confident	89.1	Confident	167 Å²	167	38.8 Å²	38.8	89%	0.893	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.4	16.5	178.1	-47.9	-45.6	0	0	0	115.7	L454	L454-N456 PolarHBondContact O-N 3.04Å
457	I	85.7	Confident	89.2	Confident	52 Å²	52	37.8 Å²	37.8	27%	0.267	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-47.9	174.7	-61	-171.2	0	0	0	111.5	S453 L454 K455 I572 L574	S453-I457 WeakPolarHBondContact O-CD1 3.46Å; L454-I457 HydrophobicContact CD2-CD1 4.47Å; L454-I457 PolarHBondContact O-N 3.31Å; K455-I457 VanDerWaalsContact C-N 3.26Å; K455-I457 PolarHBondContact O-N 2.91Å; I457-I572 HydrophobicContact CD1-CB 4.33Å; I457-L574 HydrophobicContact CD1-CD1 4.14Å; I457-L574 HydrophobicContact CG2-CB 3.94Å; I457-L574 HydrophobicContact CG2-CD1 3.62Å; I457-L574 HydrophobicContact CG2-CG 4.32Å
458	F	92.2	Very high	89.5	Confident	17 Å²	17	36.6 Å²	36.6	8%	0.075	20%	0.195	C	C	.	.	S	Bend	trans	-84	140.7	-176.5	-57.4	-68	0	0	0	110.9	F449 L454 E462 L574 R580 I583 L584 I587	F449-F458 HydrophobicContact CD1-CD2 4.43Å; F449-F458 HydrophobicContact CE1-CB 4.21Å; F449-F458 AromaticContact CE1-CD2 3.6Å; F449-F458 HydrophobicContact CE1-CD2 3.6Å; F449-F458 HydrophobicContact CE1-CE2 4.37Å; F449-F458 HydrophobicContact CE1-CG 4.2Å; F449-F458 HydrophobicContact CE2-CD2 4.45Å; F449-F458 HydrophobicContact CE2-CE2 4.46Å; F449-F458 AromaticContact CZ-CD2 3.6Å; F449-F458 HydrophobicContact CZ-CD2 3.6Å; F449-F458 AromaticContact CZ-CE2 3.99Å; F449-F458 HydrophobicContact CZ-CE2 3.99Å; F449-F458 HydrophobicContact CZ-CG 4.22Å; L454-F458 HydrophobicContact CB-CE2 4.34Å; L454-F458 HydrophobicContact CD1-CE2 4.41Å; L454-F458 HydrophobicContact CD2-CE2 3.99Å; L454-F458 HydrophobicContact CD2-CZ 4.36Å; L454-F458 HydrophobicContact CG-CE2 4.46Å; F458-E462 WeakPolarHBondContact CA-OE2 3.46Å; F458-E462 HydrophobicContact CB-CB 4Å; F458-L574 HydrophobicContact CZ-CD1 4.33Å; F458-R580 HydrophobicContact CD1-CB 4.32Å; F458-R580 HydrophobicContact CD1-CG 4.36Å; F458-R580 HydrophobicContact CE1-CB 4.02Å; F458-R580 HydrophobicContact CE1-CG 4.17Å; F458-I583 HydrophobicContact CZ-CB 4.4Å; F458-I583 HydrophobicContact CZ-CG2 3.95Å; F458-L584 HydrophobicContact CD1-CD1 4.04Å; F458-L584 HydrophobicContact CD1-CD2 3.74Å; F458-L584 HydrophobicContact CD1-CG 3.95Å; F458-L584 HydrophobicContact CD2-CD2 4.15Å; F458-L584 HydrophobicContact CE1-CD1 4.07Å; F458-L584 HydrophobicContact CE1-CD2 3.59Å; F458-L584 HydrophobicContact CE1-CG 3.56Å; F458-L584 HydrophobicContact CE2-CD2 4Å; F458-L584 HydrophobicContact CG-CD2 4.02Å; F458-L584 HydrophobicContact CZ-CD2 3.72Å; F458-L584 HydrophobicContact CZ-CG 4.02Å; F458-I587 HydrophobicContact CE2-CD1 4.17Å; F458-I587 HydrophobicContact CZ-CD1 4.29Å
459	S	93.7	Very high	89.8	Confident	55 Å²	55	36.5 Å²	36.5	39%	0.385	19%	0.194	S	C	.	.			trans	-63.3	162	170.7	64.2	0	0	0	0	111.4	L461 E462 T463	S459-L461 PolarHBondContact O-N 2.83Å; S459-E462 WeakPolarHBondContact CB-OE2 3.28Å; S459-E462 PolarHBondContact N-OE2 3.38Å; S459-E462 PolarHBondContact O-N 3.34Å; S459-E462 WeakPolarHBondContact OG-CB 3.11Å; S459-E462 VanDerWaalsContact OG-CG 3.29Å; S459-E462 WeakPolarHBondContact OG-CG 3.32Å; S459-E462 PolarHBondContact OG-N 2.9Å; S459-E462 PolarHBondContact OG-OE2 2.91Å; S459-T463 PolarHBondContact O-N 3.03Å; S459-T463 PolarHBondContact O-OG1 3.17Å
460	D	95.3	Very high	90.2	Very high	58 Å²	58	35.5 Å²	35.5	31%	0.31	19%	0.19	S	C	.	.	H	α-helix	trans	-61.4	-32.1	177.1	-56.9	-55.6	0	0	0	111.7	K407 L408 F464	K407-D460 HydrophobicContact CB-CB 4.34Å; K407-D460 HydrophobicContact CD-CB 4.28Å; K407-D460 WeakPolarHBondContact CD-OD1 3.47Å; K407-D460 WeakPolarHBondContact CD-OD2 3.36Å; K407-D460 WeakPolarHBondContact CE-OD1 3.34Å; K407-D460 IonicContact NZ-OD1 3.32Å; K407-D460 PolarHBondContact NZ-OD1 3.39Å; L408-D460 HydrophobicContact CD2-CB 4.32Å; L408-D460 HydrophobicContact CG-CB 4.4Å; D460-F464 VanDerWaalsContact O-CB 3.3Å; D460-F464 WeakPolarHBondContact O-CB 3.18Å; D460-F464 PolarHBondContact O-N 3.07Å
461	L	96.7	Very high	90.8	Very high	13 Å²	13	31.7 Å²	31.7	7%	0.068	17%	0.172	C	C	.	.	H	α-helix	trans	-70.4	-42.1	175.6	-169.1	71.2	0	0	0	112.1	L408 S459 F464 A465 F526 Q530 L533 F534 M537	L408-L461 HydrophobicContact CD1-CD1 4.39Å; L408-L461 HydrophobicContact CD2-CB 4.46Å; L408-L461 HydrophobicContact CD2-CD1 4.29Å; S459-L461 PolarHBondContact O-N 2.83Å; L461-F464 PolarHBondContact O-N 3.3Å; L461-A465 VanDerWaalsContact O-CB 3.24Å; L461-A465 WeakPolarHBondContact O-CB 3.42Å; L461-A465 PolarHBondContact O-N 3.23Å; L461-F526 HydrophobicContact CD1-CE2 4.23Å; L461-F526 HydrophobicContact CD1-CZ 4.19Å; L461-Q530 HydrophobicContact CD1-CB 4.38Å; L461-Q530 HydrophobicContact CD2-CB 4.13Å; L461-Q530 HydrophobicContact CD2-CG 4.14Å; L461-L533 HydrophobicContact CD2-CB 4.18Å; L461-L533 HydrophobicContact CD2-CD2 3.99Å; L461-L533 HydrophobicContact CD2-CG 4.19Å; L461-F534 HydrophobicContact CD1-CB 4.23Å; L461-M537 HydrophobicContact CB-CE 4.4Å; L461-M537 HydrophobicContact CD2-CE 3.86Å; L461-M537 HydrophobicContact CG-CE 3.72Å
462	E	96.7	Very high	91.5	Very high	8 Å²	8	31 Å²	31	4%	0.037	17%	0.167	C	C	.	.	H	α-helix	trans	-63.8	-42.7	175.3	-76.9	158	162.2	0	0	110.9	F458 S459 A465 I466 M537 R580 L584	F458-E462 WeakPolarHBondContact CA-OE2 3.46Å; F458-E462 HydrophobicContact CB-CB 4Å; S459-E462 WeakPolarHBondContact CB-OE2 3.28Å; S459-E462 PolarHBondContact N-OE2 3.38Å; S459-E462 PolarHBondContact O-N 3.34Å; S459-E462 WeakPolarHBondContact OG-CB 3.11Å; S459-E462 VanDerWaalsContact OG-CG 3.29Å; S459-E462 WeakPolarHBondContact OG-CG 3.32Å; S459-E462 PolarHBondContact OG-N 2.9Å; S459-E462 PolarHBondContact OG-OE2 2.91Å; E462-A465 PolarHBondContact O-N 3.36Å; E462-I466 PolarHBondContact O-N 2.93Å; E462-M537 HydrophobicContact CB-SD 4.3Å; E462-M537 HydrophobicContact CG-CE 4.21Å; E462-M537 HydrophobicContact CG-SD 3.46Å; E462-M537 WeakPolarHBondContact CG-SD 3.26Å; E462-R580 IonicContact OE1-CZ 3.33Å; E462-R580 IonicContact OE1-NE 2.75Å; E462-R580 PolarHBondContact OE1-NE 3.26Å; E462-R580 IonicContact OE1-NH2 3.59Å; E462-R580 PolarHBondContact OE1-NH2 2.97Å; E462-R580 IonicContact OE2-NE 3.81Å; E462-L584 HydrophobicContact CB-CD1 4.12Å; E462-L584 HydrophobicContact CG-CD1 4.23Å
463	T	96.5	Very high	92.8	Very high	16 Å²	16	24.9 Å²	24.9	10%	0.098	14%	0.135	C	C	.	.	H	α-helix	trans	-62.7	-45.5	175.8	-53.9	0	0	0	0	111.3	V404 F449 S459 I466 F467	V404-T463 HydrophobicContact CG1-CG2 3.77Å; F449-T463 HydrophobicContact CD1-CG2 4.07Å; F449-T463 HydrophobicContact CE1-CG2 3.93Å; S459-T463 PolarHBondContact O-N 3.03Å; S459-T463 PolarHBondContact O-OG1 3.17Å; T463-I466 WeakPolarHBondContact O-CG2 3.47Å; T463-F467 HydrophobicContact CG2-CD2 4.3Å; T463-F467 HydrophobicContact CG2-CE2 4.12Å; T463-F467 WeakPolarHBondContact O-CD2 3.24Å; T463-F467 PolarHBondContact O-N 3.49Å
464	F	97.7	Very high	93.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-64.3	-40.5	175.5	179.5	-97.1	0	0	0	112	F399 V404 L405 L408 I410 M415 D460 L461 F467 F468 F522 F526 F534	F399-F464 HydrophobicContact CD1-CD2 4.07Å; F399-F464 HydrophobicContact CD1-CE2 4.05Å; F399-F464 AromaticContact CE1-CD2 3.84Å; F399-F464 HydrophobicContact CE1-CD2 3.84Å; F399-F464 AromaticContact CE1-CE2 3.75Å; F399-F464 HydrophobicContact CE1-CE2 3.75Å; V404-F464 HydrophobicContact CB-CB 4.39Å; V404-F464 HydrophobicContact CG2-CB 4.35Å; V404-F464 HydrophobicContact CG2-CD2 4.01Å; L405-F464 HydrophobicContact CD2-CD2 4.2Å; L405-F464 HydrophobicContact CD2-CE2 3.84Å; L408-F464 HydrophobicContact CD1-CB 3.45Å; L408-F464 VanDerWaalsContact CD1-CB 3.45Å; L408-F464 HydrophobicContact CD1-CD1 4.14Å; L408-F464 HydrophobicContact CD1-CD2 4.23Å; L408-F464 HydrophobicContact CD1-CG 3.67Å; I410-F464 HydrophobicContact CD1-CD2 4.02Å; I410-F464 HydrophobicContact CD1-CE1 4.1Å; I410-F464 HydrophobicContact CD1-CE2 3.53Å; I410-F464 HydrophobicContact CD1-CG 4.49Å; I410-F464 HydrophobicContact CD1-CZ 3.58Å; M415-F464 HydrophobicContact CE-CE2 4.44Å; M415-F464 HydrophobicContact SD-CE2 3.91Å; M415-F464 HydrophobicContact SD-CZ 4.13Å; D460-F464 VanDerWaalsContact O-CB 3.3Å; D460-F464 WeakPolarHBondContact O-CB 3.18Å; D460-F464 PolarHBondContact O-N 3.07Å; L461-F464 PolarHBondContact O-N 3.3Å; F464-F467 PolarHBondContact O-N 2.88Å; F464-F468 HydrophobicContact CE1-CB 4.43Å; F464-F468 VanDerWaalsContact O-CB 3.26Å; F464-F468 WeakPolarHBondContact O-CB 3.37Å; F464-F468 PolarHBondContact O-N 2.94Å; F464-F522 AromaticContact CE1-CD2 3.88Å; F464-F522 HydrophobicContact CE1-CD2 3.88Å; F464-F522 AromaticContact CE1-CE2 3.43Å; F464-F522 HydrophobicContact CE1-CE2 3.43Å; F464-F522 VanDerWaalsContact CE1-CE2 3.43Å; F464-F522 AromaticContact CE1-CZ 3.95Å; F464-F522 HydrophobicContact CE1-CZ 3.95Å; F464-F522 AromaticContact CZ-CD2 3.77Å; F464-F522 HydrophobicContact CZ-CD2 3.77Å; F464-F522 HydrophobicContact CZ-CE1 4.36Å; F464-F522 AromaticContact CZ-CE2 3.62Å; F464-F522 HydrophobicContact CZ-CE2 3.62Å; F464-F522 HydrophobicContact CZ-CG 4.25Å; F464-F522 AromaticContact CZ-CZ 3.93Å; F464-F522 HydrophobicContact CZ-CZ 3.93Å; F464-F526 AromaticContact CD1-CZ 3.92Å; F464-F526 HydrophobicContact CD1-CZ 3.92Å; F464-F526 HydrophobicContact CE1-CE2 4.26Å; F464-F526 AromaticContact CE1-CZ 3.74Å; F464-F526 HydrophobicContact CE1-CZ 3.74Å; F464-F526 HydrophobicContact CZ-CZ 4.5Å; F464-F534 AromaticContact CD1-CD2 3.93Å; F464-F534 HydrophobicContact CD1-CD2 3.93Å; F464-F534 AromaticContact CD1-CE2 3.53Å; F464-F534 HydrophobicContact CD1-CE2 3.53Å; F464-F534 HydrophobicContact CD1-CZ 4.42Å; F464-F534 HydrophobicContact CE1-CD2 4.13Å; F464-F534 AromaticContact CE1-CE2 3.43Å; F464-F534 HydrophobicContact CE1-CE2 3.43Å; F464-F534 VanDerWaalsContact CE1-CE2 3.43Å; F464-F534 AromaticContact CE1-CZ 3.88Å; F464-F534 HydrophobicContact CE1-CZ 3.88Å
465	A	98.4	Very high	94.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61	-46.2	179.9	0	0	0	0	0	112.3	L461 E462 F468 A469 F534 M537 V538	L461-A465 VanDerWaalsContact O-CB 3.24Å; L461-A465 WeakPolarHBondContact O-CB 3.42Å; L461-A465 PolarHBondContact O-N 3.23Å; E462-A465 PolarHBondContact O-N 3.36Å; A465-F468 PolarHBondContact O-N 3.49Å; A465-A469 VanDerWaalsContact O-CB 3.28Å; A465-A469 WeakPolarHBondContact O-CB 3.4Å; A465-A469 PolarHBondContact O-N 2.91Å; A465-F534 HydrophobicContact CB-CD2 4.03Å; A465-F534 HydrophobicContact CB-CE2 4.31Å; A465-M537 HydrophobicContact CB-CB 4.02Å; A465-M537 HydrophobicContact CB-CE 3.7Å; A465-M537 HydrophobicContact CB-SD 4.43Å; A465-V538 HydrophobicContact CB-CG2 4.05Å
466	I	98.4	Very high	95.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-71.9	-35.4	179.4	-163.6	176.8	0	0	0	112.9	T445 F449 E462 T463 F468 A469 S470 L541 L584 I587 I588	T445-I466 HydrophobicContact CG2-CD1 3.91Å; T445-I466 HydrophobicContact CG2-CG1 3.91Å; T445-I466 HydrophobicContact CG2-CG2 4.07Å; F449-I466 HydrophobicContact CE1-CG2 4.33Å; F449-I466 HydrophobicContact CE2-CD1 4.02Å; F449-I466 HydrophobicContact CE2-CG2 3.81Å; F449-I466 HydrophobicContact CZ-CD1 4.49Å; F449-I466 HydrophobicContact CZ-CG2 3.55Å; E462-I466 PolarHBondContact O-N 2.93Å; T463-I466 WeakPolarHBondContact O-CG2 3.47Å; I466-F468 VanDerWaalsContact C-N 3.34Å; I466-A469 PolarHBondContact O-N 3.35Å; I466-S470 PolarHBondContact O-N 3.09Å; I466-S470 PolarHBondContact O-OG 3.13Å; I466-S470 VanDerWaalsContact O-OG 3.1Å; I466-L541 HydrophobicContact CB-CD1 3.92Å; I466-L541 HydrophobicContact CG1-CD1 4.15Å; I466-L541 HydrophobicContact CG1-CD2 4.42Å; I466-L584 HydrophobicContact CB-CD2 4.4Å; I466-L584 HydrophobicContact CD1-CB 4.21Å; I466-L584 HydrophobicContact CD1-CD2 3.87Å; I466-L584 WeakPolarHBondContact CD1-O 3.41Å; I466-L584 HydrophobicContact CG2-CD2 4.33Å; I466-I587 HydrophobicContact CD1-CB 3.98Å; I466-I587 HydrophobicContact CD1-CG2 3.68Å; I466-I588 HydrophobicContact CD1-CB 4.21Å; I466-I588 HydrophobicContact CG1-CB 4.2Å
467	F	98.3	Very high	96.9	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-65.1	-42.6	173.8	-83.5	-131.4	0	0	0	110.8	L398 F399 T402 L442 T445 Y446 F449 T463 F464 A471	L398-F467 HydrophobicContact CB-CE1 4.36Å; F399-F467 HydrophobicContact CD1-CB 4.31Å; F399-F467 HydrophobicContact CE1-CB 3.59Å; F399-F467 HydrophobicContact CE2-CB 4.33Å; F399-F467 HydrophobicContact CZ-CB 3.6Å; T402-F467 HydrophobicContact CG2-CD1 4.49Å; T402-F467 HydrophobicContact CG2-CE1 3.54Å; T402-F467 HydrophobicContact CG2-CZ 3.6Å; L442-F467 HydrophobicContact CD1-CB 3.79Å; L442-F467 HydrophobicContact CD1-CD1 3.67Å; L442-F467 HydrophobicContact CD1-CE1 4.38Å; L442-F467 HydrophobicContact CD1-CG 3.77Å; L442-F467 WeakPolarHBondContact CD1-O 3.42Å; T445-F467 HydrophobicContact CG2-CD2 4.22Å; T445-F467 HydrophobicContact CG2-CE2 4.17Å; Y446-F467 AromaticContact CD2-CE1 3.82Å; Y446-F467 HydrophobicContact CD2-CE1 3.82Å; Y446-F467 AromaticContact CD2-CZ 3.65Å; Y446-F467 HydrophobicContact CD2-CZ 3.65Å; Y446-F467 HydrophobicContact CG-CE1 4.46Å; Y446-F467 HydrophobicContact CG-CZ 4.21Å; F449-F467 HydrophobicContact CD1-CE2 4.48Å; F449-F467 HydrophobicContact CG-CE2 4.38Å; T463-F467 HydrophobicContact CG2-CD2 4.3Å; T463-F467 HydrophobicContact CG2-CE2 4.12Å; T463-F467 WeakPolarHBondContact O-CD2 3.24Å; T463-F467 PolarHBondContact O-N 3.49Å; F464-F467 PolarHBondContact O-N 2.88Å; F467-A471 PolarHBondContact O-N 2.77Å; F467-A471 VanDerWaalsContact O-N 3.15Å
468	F	98.7	Very high	97.5	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-63.6	-46.1	174.9	-176.6	-96.3	0	0	0	111.2	M415 I422 F464 A465 I466 S470 A471 I472 I514 F522 F534 V538	M415-F468 HydrophobicContact CE-CD2 4.45Å; I422-F468 HydrophobicContact CD1-CE2 3.79Å; I422-F468 HydrophobicContact CD1-CZ 4.3Å; F464-F468 HydrophobicContact CE1-CB 4.43Å; F464-F468 VanDerWaalsContact O-CB 3.26Å; F464-F468 WeakPolarHBondContact O-CB 3.37Å; F464-F468 PolarHBondContact O-N 2.94Å; A465-F468 PolarHBondContact O-N 3.49Å; I466-F468 VanDerWaalsContact C-N 3.34Å; F468-S470 PolarHBondContact O-N 3.06Å; F468-A471 PolarHBondContact O-N 3.41Å; F468-A471 VanDerWaalsContact O-N 3.15Å; F468-I472 HydrophobicContact CD1-CD1 4.26Å; F468-I472 HydrophobicContact CD1-CG1 4.4Å; F468-I472 HydrophobicContact CE1-CD1 3.68Å; F468-I472 HydrophobicContact CE1-CG1 4.11Å; F468-I472 HydrophobicContact CE1-CG2 3.99Å; F468-I472 HydrophobicContact CE2-CG2 4.07Å; F468-I472 HydrophobicContact CZ-CD1 4.36Å; F468-I472 HydrophobicContact CZ-CG2 3.64Å; F468-I472 WeakPolarHBondContact O-CG1 3.46Å; F468-I472 PolarHBondContact O-N 3.26Å; F468-I514 HydrophobicContact CE1-CD1 3.95Å; F468-I514 HydrophobicContact CE2-CD1 3.79Å; F468-I514 HydrophobicContact CZ-CD1 3.23Å; F468-I514 HydrophobicContact CZ-CG1 4.43Å; F468-F522 AromaticContact CD2-CE1 3.95Å; F468-F522 HydrophobicContact CD2-CE1 3.95Å; F468-F522 AromaticContact CD2-CZ 3.82Å; F468-F522 HydrophobicContact CD2-CZ 3.82Å; F468-F522 AromaticContact CE2-CE1 3.62Å; F468-F522 HydrophobicContact CE2-CE1 3.62Å; F468-F522 AromaticContact CE2-CZ 3.72Å; F468-F522 HydrophobicContact CE2-CZ 3.72Å; F468-F522 HydrophobicContact CG-CZ 4.32Å; F468-F522 HydrophobicContact CZ-CE1 4.28Å; F468-F522 HydrophobicContact CZ-CZ 4.13Å; F468-F534 HydrophobicContact CB-CE2 4.2Å; F468-F534 HydrophobicContact CB-CZ 4.28Å; F468-F534 HydrophobicContact CD1-CE1 4.5Å; F468-F534 HydrophobicContact CD1-CE2 4.19Å; F468-F534 AromaticContact CD1-CZ 3.54Å; F468-F534 HydrophobicContact CD1-CZ 3.54Å; F468-F534 HydrophobicContact CE1-CZ 4.06Å; F468-F534 HydrophobicContact CG-CE2 4.29Å; F468-F534 AromaticContact CG-CZ 3.87Å; F468-F534 HydrophobicContact CG-CZ 3.87Å; F468-V538 HydrophobicContact CD1-CG1 4.04Å; F468-V538 HydrophobicContact CD1-CG2 4.02Å; F468-V538 HydrophobicContact CE1-CG1 4.26Å
469	A	98.8	Very high	97.7	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-57.5	-48.4	176.5	0	0	0	0	0	111.7	A465 I466 A471 I472 H473 V538 L541 V542 I588	A465-A469 VanDerWaalsContact O-CB 3.28Å; A465-A469 WeakPolarHBondContact O-CB 3.4Å; A465-A469 PolarHBondContact O-N 2.91Å; I466-A469 PolarHBondContact O-N 3.35Å; A469-A471 VanDerWaalsContact C-N 3.27Å; A469-A471 PolarHBondContact O-N 2.96Å; A469-I472 WeakPolarHBondContact O-CG1 3.35Å; A469-I472 PolarHBondContact O-N 3.26Å; A469-H473 WeakPolarHBondContact O-CB 3.31Å; A469-H473 PolarHBondContact O-N 3.03Å; A469-V538 HydrophobicContact CB-CG1 4.39Å; A469-L541 HydrophobicContact CB-CB 3.78Å; A469-L541 HydrophobicContact CB-CD1 4.07Å; A469-V542 HydrophobicContact CB-CG2 4.05Å; A469-I588 HydrophobicContact CB-CD1 3.72Å
470	S	98.8	Very high	97.8	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-58	-37.2	176	-63	0	0	0	0	112.8	T445 I466 F468 I472 H473	T445-S470 PolarHBondContact OG1-OG 2.85Å; I466-S470 PolarHBondContact O-N 3.09Å; I466-S470 PolarHBondContact O-OG 3.13Å; I466-S470 VanDerWaalsContact O-OG 3.1Å; F468-S470 PolarHBondContact O-N 3.06Å; S470-I472 VanDerWaalsContact C-N 3.3Å; S470-I472 PolarHBondContact O-N 3.29Å; S470-H473 PolarHBondContact O-ND1 3.4Å
471	A	98.7	Very high	97.8	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-70.6	-23.7	178.3	0	0	0	0	0	113.7	L391 L419 I422 Y426 F467 F468 A469	L391-A471 HydrophobicContact CD1-CB 4.22Å; L419-A471 HydrophobicContact CD2-CB 4.14Å; I422-A471 WeakPolarHBondContact CG2-O 3.29Å; Y426-A471 WeakPolarHBondContact CE2-O 3.42Å; Y426-A471 PolarHBondContact OH-O 3.03Å; F467-A471 PolarHBondContact O-N 2.77Å; F467-A471 VanDerWaalsContact O-N 3.15Å; F468-A471 PolarHBondContact O-N 3.41Å; F468-A471 VanDerWaalsContact O-N 3.15Å; A469-A471 VanDerWaalsContact C-N 3.27Å; A469-A471 PolarHBondContact O-N 2.96Å
472	I	98.7	Very high	97.7	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-111.4	-6.2	-175.7	67.4	152.1	0	0	0	114.6	I422 F468 A469 S470 D474 I475 L507 A510 V538 V542	I422-I472 HydrophobicContact CD1-CG2 3.65Å; I422-I472 HydrophobicContact CG1-CG2 4.11Å; I422-I472 HydrophobicContact CG2-CG2 4.21Å; F468-I472 HydrophobicContact CD1-CD1 4.26Å; F468-I472 HydrophobicContact CD1-CG1 4.4Å; F468-I472 HydrophobicContact CE1-CD1 3.68Å; F468-I472 HydrophobicContact CE1-CG1 4.11Å; F468-I472 HydrophobicContact CE1-CG2 3.99Å; F468-I472 HydrophobicContact CE2-CG2 4.07Å; F468-I472 HydrophobicContact CZ-CD1 4.36Å; F468-I472 HydrophobicContact CZ-CG2 3.64Å; F468-I472 WeakPolarHBondContact O-CG1 3.46Å; F468-I472 PolarHBondContact O-N 3.26Å; A469-I472 WeakPolarHBondContact O-CG1 3.35Å; A469-I472 PolarHBondContact O-N 3.26Å; S470-I472 VanDerWaalsContact C-N 3.3Å; S470-I472 PolarHBondContact O-N 3.29Å; I472-D474 PolarHBondContact O-N 3.11Å; I472-I475 HydrophobicContact CB-CG2 4.33Å; I472-I475 WeakPolarHBondContact O-CB 3.44Å; I472-I475 WeakPolarHBondContact O-CG2 3.35Å; I472-I475 PolarHBondContact O-N 2.59Å; I472-L507 HydrophobicContact CD1-CD2 4.4Å; I472-A510 HydrophobicContact CB-CB 3.9Å; I472-A510 HydrophobicContact CD1-CB 3.4Å; I472-A510 HydrophobicContact CG1-CB 4.25Å; I472-A510 HydrophobicContact CG2-CB 3.89Å; I472-V538 HydrophobicContact CD1-CG1 3.9Å; I472-V542 HydrophobicContact CD1-CG2 4.09Å; I472-V542 HydrophobicContact CG1-CG2 4.14Å
473	H	98.8	Very high	97.6	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-24.5	-164.8	76	-68.6	0	0	0	114.3	H437 V441 A469 S470 H506 V542 T545 D592	H437-H473 AromaticContact NE2-CE1 3.98Å; H437-H473 AromaticContact NE2-NE2 3.5Å; H437-H473 PolarHBondContact NE2-NE2 2.93Å; V441-H473 VanDerWaalsContact CG2-CE1 3.47Å; V441-H473 WeakPolarHBondContact CG2-CE1 3.44Å; A469-H473 WeakPolarHBondContact O-CB 3.31Å; A469-H473 PolarHBondContact O-N 3.03Å; S470-H473 PolarHBondContact O-ND1 3.4Å; H473-H506 WeakPolarHBondContact O-CB 3.17Å; H473-H506 PolarHBondContact O-CD2 2.9Å; H473-V542 HydrophobicContact CB-CG1 4.39Å; H473-V542 HydrophobicContact CB-CG2 4.4Å; H473-T545 HydrophobicContact CB-CG2 4.32Å; H473-D592 IonicContact NE2-OD1 2.91Å
474	D	98.7	Very high	97.5	Very high	8 Å²	8	17.9 Å²	17.9	4%	0.043	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.3	21.3	176.2	-75.9	-36.7	0	0	0	113.8	Y426 H433 H437 I472 D476 H477 H506	Y426-D474 HydrophobicContact CE1-CB 3.82Å; Y426-D474 WeakPolarHBondContact CE1-O 3.13Å; H433-D474 IonicContact CD2-OD2 3.91Å; H433-D474 PolarHBondContact CD2-OD2 2.75Å; H433-D474 VanDerWaalsContact CD2-OD2 3.32Å; H437-D474 IonicContact CD2-OD2 3.61Å; H437-D474 PolarHBondContact CD2-OD2 2.93Å; H437-D474 IonicContact NE2-OD2 3.88Å; H437-D474 PolarHBondContact NE2-OD2 3.19Å; I472-D474 PolarHBondContact O-N 3.11Å; D474-D476 PolarHBondContact O-N 3.44Å; D474-H477 HydrophobicContact CB-CB 4.34Å; D474-H477 VanDerWaalsContact O-CB 3.28Å; D474-H477 WeakPolarHBondContact O-CB 3.47Å; D474-H477 PolarHBondContact O-N 2.89Å; D474-H477 VanDerWaalsContact O-N 3.14Å; D474-H477 IonicContact OD1-CD2 3.51Å; D474-H506 IonicContact OD1-NE2 3.56Å
475	I	98.4	Very high	97.5	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	132.7	-177.6	-168.5	179.6	0	0	0	110.8	I422 R425 Y426 I472 H477 H506 V509 A510	I422-I475 HydrophobicContact CB-CD1 4.22Å; I422-I475 HydrophobicContact CG1-CD1 4.17Å; I422-I475 HydrophobicContact CG2-CD1 4Å; R425-I475 HydrophobicContact CB-CD1 3.94Å; R425-I475 HydrophobicContact CB-CG1 3.75Å; Y426-I475 HydrophobicContact CD2-CG1 4.5Å; Y426-I475 HydrophobicContact CE2-CB 4.17Å; Y426-I475 HydrophobicContact CE2-CG1 4.3Å; Y426-I475 PolarHBondContact OH-N 3.38Å; I472-I475 HydrophobicContact CB-CG2 4.33Å; I472-I475 WeakPolarHBondContact O-CB 3.44Å; I472-I475 WeakPolarHBondContact O-CG2 3.35Å; I472-I475 PolarHBondContact O-N 2.59Å; I475-H477 VanDerWaalsContact C-N 3.29Å; I475-H477 PolarHBondContact O-N 3.02Å; I475-H506 HydrophobicContact CG2-CB 4.05Å; I475-H506 WeakPolarHBondContact CG2-O 3.01Å; I475-H506 PolarHBondContact O-ND1 3.48Å; I475-V509 HydrophobicContact CD1-CG1 3.99Å; I475-V509 HydrophobicContact CG1-CG1 4.22Å; I475-V509 HydrophobicContact CG2-CB 4.2Å; I475-V509 HydrophobicContact CG2-CG1 4.31Å; I475-A510 HydrophobicContact CG2-CB 4.31Å
476	D	98.3	Very high	97.3	Very high	73 Å²	73	19.6 Å²	19.6	39%	0.39	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	25.5	-177.4	-156.5	47.9	0	0	0	114.5	R425 D474 H505 V509	R425-D476 WeakPolarHBondContact O-CA 3.4Å; R425-D476 PolarHBondContact O-N 3.17Å; D474-D476 PolarHBondContact O-N 3.44Å; D476-H505 IonicContact OD2-CD2 3.66Å; D476-H505 IonicContact OD2-CE1 3.8Å; D476-H505 PolarHBondContact OD2-CE1 3.47Å; D476-H505 IonicContact OD2-NE2 3.97Å; D476-H505 PolarHBondContact OD2-NE2 3.24Å; D476-V509 HydrophobicContact CB-CG1 4.2Å; D476-V509 HydrophobicContact CB-CG2 4.05Å
477	H	98.4	Very high	97	Very high	10 Å²	10	23.7 Å²	23.7	5%	0.046	13%	0.129	C	C	.	.			trans	-62.8	128.3	174.9	-167	-82.6	0	0	0	112.1	H433 D474 I475 G479 L480 H506 E613	H433-H477 HydrophobicContact CB-CB 3.82Å; H433-H477 WeakPolarHBondContact CB-ND1 3.3Å; H433-H477 AromaticContact CE1-CE1 3.9Å; H433-H477 AromaticContact CG-CE1 3.68Å; H433-H477 AromaticContact CG-CG 3.9Å; H433-H477 AromaticContact CG-ND1 3.64Å; H433-H477 AromaticContact CG-NE2 3.94Å; H433-H477 AromaticContact ND1-CE1 3.34Å; H433-H477 PolarHBondContact ND1-CE1 3.44Å; H433-H477 VanDerWaalsContact ND1-CE1 3.34Å; H433-H477 AromaticContact ND1-ND1 3.66Å; H433-H477 AromaticContact ND1-NE2 3.83Å; D474-H477 HydrophobicContact CB-CB 4.34Å; D474-H477 VanDerWaalsContact O-CB 3.28Å; D474-H477 WeakPolarHBondContact O-CB 3.47Å; D474-H477 PolarHBondContact O-N 2.89Å; D474-H477 VanDerWaalsContact O-N 3.14Å; D474-H477 IonicContact OD1-CD2 3.51Å; I475-H477 VanDerWaalsContact C-N 3.29Å; I475-H477 PolarHBondContact O-N 3.02Å; H477-G479 VanDerWaalsContact C-N 3.3Å; H477-G479 WeakPolarHBondContact ND1-CA 3.21Å; H477-G479 PolarHBondContact ND1-N 3.1Å; H477-G479 PolarHBondContact O-N 2.92Å; H477-L480 PolarHBondContact CE1-O 3.08Å; H477-H506 AromaticContact CD2-CE1 3.84Å; H477-H506 AromaticContact CD2-NE2 3.72Å; H477-E613 IonicContact CE1-OE1 3.79Å; H477-E613 IonicContact ND1-OE1 3.92Å
478	P	97.1	Very high	96.8	Very high	49 Å²	49	25.9 Å²	25.9	32%	0.318	14%	0.143	S	C	.	.			trans	-80.2	-9.2	-175.4	32.5	-35.7	0	0	0	113.9	L480 L502	P478-L480 HydrophobicContact CB-CD1 4.38Å; P478-L480 HydrophobicContact CG-CB 4.28Å; P478-L502 VanDerWaalsContact CD-CD2 3.41Å; P478-L502 HydrophobicContact CG-CD2 3.86Å
479	G	96.2	Very high	96.6	Very high	11 Å²	11	31.4 Å²	31.4	11%	0.113	17%	0.172	C	C	.	.	S	Bend	trans	83.6	30.1	-175.2	0	0	0	0	0	113.5	H477 E613	H477-G479 VanDerWaalsContact C-N 3.3Å; H477-G479 WeakPolarHBondContact ND1-CA 3.21Å; H477-G479 PolarHBondContact ND1-N 3.1Å; H477-G479 PolarHBondContact O-N 2.92Å; G479-E613 VanDerWaalsContact CA-OE1 3.29Å; G479-E613 WeakPolarHBondContact CA-OE1 3.04Å
480	L	96.3	Very high	96.5	Very high	16 Å²	16	34.9 Å²	34.9	8%	0.084	19%	0.188	C	C	.	.	S	Bend	trans	-138.6	152.6	-175.8	-60.8	166.5	0	0	0	108.6	H477 P478 Y484 L485 L502 Q617	H477-L480 PolarHBondContact CE1-O 3.08Å; P478-L480 HydrophobicContact CB-CD1 4.38Å; P478-L480 HydrophobicContact CG-CB 4.28Å; L480-Y484 HydrophobicContact CB-CD1 3.89Å; L480-Y484 HydrophobicContact CB-CE1 4.5Å; L480-Y484 HydrophobicContact CB-CG 4.37Å; L480-Y484 HydrophobicContact CD1-CD1 3.69Å; L480-Y484 HydrophobicContact CD1-CE1 3.49Å; L480-Y484 VanDerWaalsContact CD1-CE1 3.49Å; L480-Y484 HydrophobicContact CD2-CD1 3.87Å; L480-Y484 HydrophobicContact CD2-CE1 3.83Å; L480-Y484 HydrophobicContact CD2-CE2 4.47Å; L480-Y484 HydrophobicContact CD2-CG 4.21Å; L480-Y484 HydrophobicContact CG-CD1 4.02Å; L480-Y484 HydrophobicContact CG-CE1 4.13Å; L480-L485 HydrophobicContact CB-CD2 4.37Å; L480-L485 HydrophobicContact CD1-CD2 4.21Å; L480-L502 VanDerWaalsContact O-CD1 3.28Å; L480-L502 WeakPolarHBondContact O-CD1 3.3Å; L480-Q617 HydrophobicContact CD2-CB 3.92Å; L480-Q617 HydrophobicContact CD2-CG 3.8Å
481	T	95.4	Very high	96.4	Very high	64 Å²	64	42.4 Å²	42.4	39%	0.393	22%	0.224	S	C	.	.			trans	-80.8	158.3	178.7	66.3	0	0	0	0	113	Q483 Y484 L485 Q617	T481-Q483 PolarHBondContact O-N 3.01Å; T481-Y484 WeakPolarHBondContact O-CB 3.38Å; T481-Y484 PolarHBondContact O-N 3.37Å; T481-Y484 VanDerWaalsContact O-N 3.08Å; T481-Y484 PolarHBondContact OG1-N 2.91Å; T481-L485 PolarHBondContact O-N 3.42Å; T481-L485 VanDerWaalsContact O-N 3.15Å; T481-Q617 PolarHBondContact OG1-NE2 3.1Å
482	N	95.4	Very high	96.4	Very high	27 Å²	27	43.5 Å²	43.5	14%	0.144	23%	0.229	C	C	.	.	H	α-helix	trans	-48.8	-45.6	169.5	-80.5	-24.5	0	0	0	111.5	Y484 L485 I486 V501 L502 E503	N482-Y484 VanDerWaalsContact C-N 3.35Å; N482-Y484 PolarHBondContact O-N 3.08Å; N482-L485 PolarHBondContact O-N 3.39Å; N482-I486 VanDerWaalsContact O-CG1 3.26Å; N482-I486 WeakPolarHBondContact O-CG1 3.19Å; N482-I486 PolarHBondContact O-N 3.48Å; N482-V501 WeakPolarHBondContact OD1-CB 3.37Å; N482-V501 PolarHBondContact OD1-N 3.04Å; N482-L502 VanDerWaalsContact OD1-CB 3.24Å; N482-L502 WeakPolarHBondContact OD1-CB 3.44Å; N482-L502 WeakPolarHBondContact OD1-CD1 3.48Å; N482-L502 WeakPolarHBondContact OD1-CG 3.09Å; N482-L502 PolarHBondContact OD1-N 3.01Å; N482-E503 PolarHBondContact ND2-OE1 2.82Å; N482-E503 PolarHBondContact ND2-OE2 3.2Å
483	Q	93.1	Very high	96.3	Very high	105 Å²	105	43.5 Å²	43.5	49%	0.491	23%	0.229	S	C	.	.	H	α-helix	trans	-63.2	-37.7	-179.7	-168.9	63.4	59.9	0	0	113	T481 I486 N487	T481-Q483 PolarHBondContact O-N 3.01Å; Q483-I486 PolarHBondContact O-N 3.27Å; Q483-N487 PolarHBondContact NE2-OD1 2.94Å; Q483-N487 WeakPolarHBondContact O-CB 3Å; Q483-N487 PolarHBondContact O-N 3.13Å; Q483-N487 PolarHBondContact O-ND2 3.47Å; Q483-N487 PolarHBondContact O-OD1 3.48Å
484	Y	95.5	Very high	96.2	Very high	12 Å²	12	48.5 Å²	48.5	5%	0.047	26%	0.256	C	S	.	.	H	α-helix	trans	-62.9	-45.2	174.7	177.4	-85	0	0	0	111	L480 T481 N482 I486 N487 T488 Q617 Q620 E621	L480-Y484 HydrophobicContact CB-CD1 3.89Å; L480-Y484 HydrophobicContact CB-CE1 4.5Å; L480-Y484 HydrophobicContact CB-CG 4.37Å; L480-Y484 HydrophobicContact CD1-CD1 3.69Å; L480-Y484 HydrophobicContact CD1-CE1 3.49Å; L480-Y484 VanDerWaalsContact CD1-CE1 3.49Å; L480-Y484 HydrophobicContact CD2-CD1 3.87Å; L480-Y484 HydrophobicContact CD2-CE1 3.83Å; L480-Y484 HydrophobicContact CD2-CE2 4.47Å; L480-Y484 HydrophobicContact CD2-CG 4.21Å; L480-Y484 HydrophobicContact CG-CD1 4.02Å; L480-Y484 HydrophobicContact CG-CE1 4.13Å; T481-Y484 WeakPolarHBondContact O-CB 3.38Å; T481-Y484 PolarHBondContact O-N 3.37Å; T481-Y484 VanDerWaalsContact O-N 3.08Å; T481-Y484 PolarHBondContact OG1-N 2.91Å; N482-Y484 VanDerWaalsContact C-N 3.35Å; N482-Y484 PolarHBondContact O-N 3.08Å; Y484-I486 VanDerWaalsContact C-N 3.33Å; Y484-I486 PolarHBondContact O-N 3.29Å; Y484-N487 PolarHBondContact O-N 3.39Å; Y484-T488 HydrophobicContact CD1-CG2 4.28Å; Y484-T488 HydrophobicContact CD2-CG2 4.47Å; Y484-T488 HydrophobicContact CE1-CG2 3.92Å; Y484-T488 HydrophobicContact CE2-CG2 4.12Å; Y484-T488 WeakPolarHBondContact O-CB 3.33Å; Y484-T488 WeakPolarHBondContact O-CG2 3.48Å; Y484-T488 PolarHBondContact O-N 2.91Å; Y484-T488 PolarHBondContact O-OG1 3.02Å; Y484-Q617 HydrophobicContact CD2-CG 3.74Å; Y484-Q617 HydrophobicContact CE2-CG 4.26Å; Y484-Q617 HydrophobicContact CG-CG 4.19Å; Y484-Q620 HydrophobicContact CE2-CB 4.44Å; Y484-Q620 PolarHBondContact OH-OE1 3.5Å; Y484-Q620 VanDerWaalsContact OH-OE1 3.1Å; Y484-E621 HydrophobicContact CD2-CG 3.63Å; Y484-E621 HydrophobicContact CE2-CG 3.56Å
485	L	96.5	Very high	96.2	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-61.1	-42.1	178.8	-60.4	-179.5	0	0	0	111.7	L480 T481 N482 T488 N489 H490 L492 A493 V501 L502	L480-L485 HydrophobicContact CB-CD2 4.37Å; L480-L485 HydrophobicContact CD1-CD2 4.21Å; T481-L485 PolarHBondContact O-N 3.42Å; T481-L485 VanDerWaalsContact O-N 3.15Å; N482-L485 PolarHBondContact O-N 3.39Å; L485-T488 PolarHBondContact O-OG1 2.79Å; L485-N489 PolarHBondContact O-N 2.87Å; L485-H490 HydrophobicContact CB-CB 3.95Å; L485-H490 HydrophobicContact CD2-CB 3.9Å; L485-H490 VanDerWaalsContact O-CB 3.31Å; L485-H490 WeakPolarHBondContact O-CB 3.31Å; L485-H490 PolarHBondContact O-N 2.61Å; L485-L492 HydrophobicContact CD1-CB 4.49Å; L485-L492 HydrophobicContact CD1-CD1 4.41Å; L485-A493 HydrophobicContact CB-CB 4.2Å; L485-A493 WeakPolarHBondContact O-CB 3.49Å; L485-V501 HydrophobicContact CD1-CG1 3.92Å; L485-L502 HydrophobicContact CD1-CD1 4.39Å; L485-L502 HydrophobicContact CD1-CD2 3.78Å; L485-L502 HydrophobicContact CD1-CG 3.87Å
486	I	94.6	Very high	96.1	Very high	37 Å²	37	54.8 Å²	54.8	19%	0.19	29%	0.286	C	S	.	.	H	α-helix	trans	-63.4	-52.9	176.5	-64.7	164.2	0	0	0	110.4	N482 Q483 Y484 T488 N489 A493 D498 V501	N482-I486 VanDerWaalsContact O-CG1 3.26Å; N482-I486 WeakPolarHBondContact O-CG1 3.19Å; N482-I486 PolarHBondContact O-N 3.48Å; Q483-I486 PolarHBondContact O-N 3.27Å; Y484-I486 VanDerWaalsContact C-N 3.33Å; Y484-I486 PolarHBondContact O-N 3.29Å; I486-T488 PolarHBondContact O-N 3.46Å; I486-T488 VanDerWaalsContact O-N 3.12Å; I486-N489 PolarHBondContact O-N 3.32Å; I486-A493 HydrophobicContact CG1-CB 4.13Å; I486-D498 HydrophobicContact CD1-CB 3.86Å; I486-D498 HydrophobicContact CG1-CB 3.83Å; I486-D498 HydrophobicContact CG2-CB 4.34Å; I486-V501 HydrophobicContact CG1-CG2 4.39Å
487	N	92.6	Very high	96	Very high	86 Å²	86	56.6 Å²	56.6	46%	0.46	30%	0.296	S	S	.	.	H	α-helix	trans	-61.6	-26.9	-177.4	-71	-8.9	0	0	0	113.1	Q483 Y484	Q483-N487 PolarHBondContact NE2-OD1 2.94Å; Q483-N487 WeakPolarHBondContact O-CB 3Å; Q483-N487 PolarHBondContact O-N 3.13Å; Q483-N487 PolarHBondContact O-ND2 3.47Å; Q483-N487 PolarHBondContact O-OD1 3.48Å; Y484-N487 PolarHBondContact O-N 3.39Å
488	T	94.5	Very high	96	Very high	45 Å²	45	60 Å²	60	28%	0.276	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	1.9	179.9	55.1	0	0	0	0	113.8	Y484 L485 I486 H490 I626	Y484-T488 HydrophobicContact CD1-CG2 4.28Å; Y484-T488 HydrophobicContact CD2-CG2 4.47Å; Y484-T488 HydrophobicContact CE1-CG2 3.92Å; Y484-T488 HydrophobicContact CE2-CG2 4.12Å; Y484-T488 WeakPolarHBondContact O-CB 3.33Å; Y484-T488 WeakPolarHBondContact O-CG2 3.48Å; Y484-T488 PolarHBondContact O-N 2.91Å; Y484-T488 PolarHBondContact O-OG1 3.02Å; L485-T488 PolarHBondContact O-OG1 2.79Å; I486-T488 PolarHBondContact O-N 3.46Å; I486-T488 VanDerWaalsContact O-N 3.12Å; T488-H490 PolarHBondContact O-N 3.01Å; T488-I626 HydrophobicContact CG2-CD1 3.53Å
489	N	94.3	Very high	95.8	Very high	117 Å²	117	60.2 Å²	60.2	63%	0.626	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	40.3	-172.4	-60.6	-94.2	0	0	0	111.8	L485 I486	L485-N489 PolarHBondContact O-N 2.87Å; I486-N489 PolarHBondContact O-N 3.32Å
490	H	96.3	Very high	95.8	Very high	72 Å²	72	60.1 Å²	60.1	33%	0.333	31%	0.31	S	S	.	.			trans	-61.7	147.1	-179.9	-169.8	-89.6	0	0	0	110.5	L485 T488 L492 A493 L494	L485-H490 HydrophobicContact CB-CB 3.95Å; L485-H490 HydrophobicContact CD2-CB 3.9Å; L485-H490 VanDerWaalsContact O-CB 3.31Å; L485-H490 WeakPolarHBondContact O-CB 3.31Å; L485-H490 PolarHBondContact O-N 2.61Å; T488-H490 PolarHBondContact O-N 3.01Å; H490-L492 PolarHBondContact ND1-N 3.09Å; H490-L492 PolarHBondContact O-N 3.04Å; H490-L492 VanDerWaalsContact O-N 3.12Å; H490-A493 WeakPolarHBondContact O-CB 3.36Å; H490-A493 PolarHBondContact O-N 2.84Å; H490-L494 PolarHBondContact O-N 3.23Å; H490-L494 VanDerWaalsContact O-N 3.12Å
491	E	97.7	Very high	95.9	Very high	159 Å²	159	59.4 Å²	59.4	74%	0.743	31%	0.306	S	S	*	.	H	α-helix	trans	-53.6	-38.7	-177.1	-175.4	179.7	178.2	0	0	112.5	L494 L495	E491-L494 PolarHBondContact O-N 3.38Å; E491-L495 VanDerWaalsContact O-CB 3.26Å; E491-L495 WeakPolarHBondContact O-CB 3.43Å; E491-L495 PolarHBondContact O-N 3.47Å
492	L	97.7	Very high	96	Very high	23 Å²	23	56.6 Å²	56.6	12%	0.12	29%	0.289	C	S	.	.	H	α-helix	trans	-62.6	-42.2	175.1	-63.3	179.3	0	0	0	112.9	L485 H490 L495 Y496 V501 H505	L485-L492 HydrophobicContact CD1-CB 4.49Å; L485-L492 HydrophobicContact CD1-CD1 4.41Å; H490-L492 PolarHBondContact ND1-N 3.09Å; H490-L492 PolarHBondContact O-N 3.04Å; H490-L492 VanDerWaalsContact O-N 3.12Å; L492-L495 PolarHBondContact O-N 2.84Å; L492-Y496 HydrophobicContact CD2-CE2 4.25Å; L492-Y496 VanDerWaalsContact O-CD2 3.24Å; L492-Y496 WeakPolarHBondContact O-CD2 3.42Å; L492-Y496 PolarHBondContact O-N 3.15Å; L492-V501 VanDerWaalsContact C-CG1 3.47Å; L492-V501 HydrophobicContact CB-CG1 3.71Å; L492-V501 WeakPolarHBondContact O-CG1 3.29Å; L492-H505 HydrophobicContact CD2-CB 4.45Å; L492-H505 WeakPolarHBondContact CD2-ND1 3.07Å
493	A	97.1	Very high	96.2	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-64.7	-43.2	179.4	0	0	0	0	0	110.8	L485 I486 H490 L495 Y496 N497 D498 V501	L485-A493 HydrophobicContact CB-CB 4.2Å; L485-A493 WeakPolarHBondContact O-CB 3.49Å; I486-A493 HydrophobicContact CG1-CB 4.13Å; H490-A493 WeakPolarHBondContact O-CB 3.36Å; H490-A493 PolarHBondContact O-N 2.84Å; A493-L495 PolarHBondContact O-N 2.84Å; A493-Y496 CarbonylContact O-C 3.53Å; A493-Y496 PolarHBondContact O-N 3.32Å; A493-N497 WeakPolarHBondContact O-CA 3.22Å; A493-N497 PolarHBondContact O-N 3.29Å; A493-D498 PolarHBondContact O-N 2.72Å; A493-V501 HydrophobicContact CB-CG1 4.39Å; A493-V501 HydrophobicContact CB-CG2 4.36Å
494	L	96.8	Very high	96.4	Very high	105 Å²	105	53.4 Å²	53.4	55%	0.55	27%	0.274	S	S	.	.	H	α-helix	trans	-63.3	-38.7	173.2	-59.7	177.3	0	0	0	112.6	H490 E491 N497	H490-L494 PolarHBondContact O-N 3.23Å; H490-L494 VanDerWaalsContact O-N 3.12Å; E491-L494 PolarHBondContact O-N 3.38Å; L494-N497 PolarHBondContact O-OD1 2.93Å
495	L	97.2	Very high	96.6	Very high	103 Å²	103	53.7 Å²	53.7	54%	0.539	28%	0.276	S	S	.	.	H	α-helix	trans	-67.7	-36.5	-179.7	179.4	62.8	0	0	0	112.5	E491 L492 A493	E491-L495 VanDerWaalsContact O-CB 3.26Å; E491-L495 WeakPolarHBondContact O-CB 3.43Å; E491-L495 PolarHBondContact O-N 3.47Å; L492-L495 PolarHBondContact O-N 2.84Å; A493-L495 PolarHBondContact O-N 2.84Å
496	Y	97.6	Very high	96.7	Very high	36 Å²	36	53.8 Å²	53.8	14%	0.141	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	13.1	-177.1	-62.8	-61.2	0	0	0	113.5	L492 A493 D498 I499 V501 N504 H505 H508	L492-Y496 HydrophobicContact CD2-CE2 4.25Å; L492-Y496 VanDerWaalsContact O-CD2 3.24Å; L492-Y496 WeakPolarHBondContact O-CD2 3.42Å; L492-Y496 PolarHBondContact O-N 3.15Å; A493-Y496 CarbonylContact O-C 3.53Å; A493-Y496 PolarHBondContact O-N 3.32Å; Y496-D498 PolarHBondContact O-N 3.34Å; Y496-I499 PolarHBondContact O-N 3.32Å; Y496-I499 VanDerWaalsContact O-N 3.09Å; Y496-V501 HydrophobicContact CD2-CG1 4.2Å; Y496-V501 VanDerWaalsContact CD2-O 3.27Å; Y496-V501 WeakPolarHBondContact CD2-O 3.45Å; Y496-N504 HydrophobicContact CD1-CB 3.45Å; Y496-N504 VanDerWaalsContact CD1-CB 3.45Å; Y496-N504 HydrophobicContact CD2-CB 4.21Å; Y496-N504 HydrophobicContact CE1-CB 3.6Å; Y496-N504 HydrophobicContact CE2-CB 4.35Å; Y496-N504 HydrophobicContact CG-CB 3.77Å; Y496-H505 HydrophobicContact CE2-CB 3.71Å; Y496-H505 WeakPolarHBondContact OH-CA 3.26Å; Y496-H508 WeakPolarHBondContact OH-CB 3.48Å
497	N	96.7	Very high	96.9	Very high	111 Å²	111	52.4 Å²	52.4	59%	0.594	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	42.8	177.8	-54.6	-54.4	0	0	0	113.1	A493 L494 I499	A493-N497 WeakPolarHBondContact O-CA 3.22Å; A493-N497 PolarHBondContact O-N 3.29Å; L494-N497 PolarHBondContact O-OD1 2.93Å; N497-I499 HydrophobicContact CB-CD1 4.24Å; N497-I499 WeakPolarHBondContact O-CD1 3.24Å; N497-I499 VanDerWaalsContact O-CG1 3.29Å; N497-I499 WeakPolarHBondContact O-CG1 3.44Å; N497-I499 PolarHBondContact O-N 2.82Å
498	D	96.8	Very high	97.2	Very high	83 Å²	83	52.5 Å²	52.5	44%	0.444	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	66	10.5	178.8	-56.5	-20.2	0	0	0	116.3	I486 A493 Y496	I486-D498 HydrophobicContact CD1-CB 3.86Å; I486-D498 HydrophobicContact CG1-CB 3.83Å; I486-D498 HydrophobicContact CG2-CB 4.34Å; A493-D498 PolarHBondContact O-N 2.72Å; Y496-D498 PolarHBondContact O-N 3.34Å
499	I	93.7	Very high	97.3	Very high	53 Å²	53	51.1 Å²	51.1	27%	0.272	26%	0.259	S	S	.	.	S	Bend	trans	-110.3	116.5	-172	-56.4	147.8	0	0	0	110.9	D266 Y496 N497 V501 N504	D266-I499 HydrophobicContact CB-CD1 3.2Å; D266-I499 HydrophobicContact CB-CG1 4.02Å; D266-I499 VanDerWaalsContact OD2-CD1 3.26Å; D266-I499 WeakPolarHBondContact OD2-CD1 3.41Å; D266-I499 WeakPolarHBondContact OD2-CG1 3.3Å; Y496-I499 PolarHBondContact O-N 3.32Å; Y496-I499 VanDerWaalsContact O-N 3.09Å; N497-I499 HydrophobicContact CB-CD1 4.24Å; N497-I499 WeakPolarHBondContact O-CD1 3.24Å; N497-I499 VanDerWaalsContact O-CG1 3.29Å; N497-I499 WeakPolarHBondContact O-CG1 3.44Å; N497-I499 PolarHBondContact O-N 2.82Å; I499-V501 PolarHBondContact O-N 3.33Å; I499-V501 VanDerWaalsContact O-N 3.09Å; I499-N504 PolarHBondContact O-ND2 3.39Å
500	S	95.3	Very high	97.5	Very high	9 Å²	9	45.6 Å²	45.6	6%	0.063	23%	0.229	C	C	.	.	S	Bend	trans	40.4	51.4	-178.5	-58.8	0	0	0	0	111	L502 E503 N504 D546 K549	S500-L502 PolarHBondContact O-N 2.71Å; S500-E503 WeakPolarHBondContact CA-OE2 3.37Å; S500-E503 WeakPolarHBondContact CB-OE2 3.39Å; S500-E503 PolarHBondContact O-N 3.37Å; S500-N504 WeakPolarHBondContact O-CB 3.5Å; S500-N504 PolarHBondContact O-N 3.46Å; S500-N504 PolarHBondContact O-ND2 3.32Å; S500-N504 VanDerWaalsContact O-ND2 3.16Å; S500-D546 WeakPolarHBondContact CA-OD2 3.34Å; S500-D546 WeakPolarHBondContact CB-OD2 3.36Å; S500-D546 PolarHBondContact OG-OD2 3.3Å; S500-K549 PolarHBondContact OG-NZ 2.88Å
501	V	98.3	Very high	97.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-57.4	-49.3	-162.7	173	0	0	0	0	111.2	N482 L485 I486 L492 A493 Y496 I499 H505	N482-V501 WeakPolarHBondContact OD1-CB 3.37Å; N482-V501 PolarHBondContact OD1-N 3.04Å; L485-V501 HydrophobicContact CD1-CG1 3.92Å; I486-V501 HydrophobicContact CG1-CG2 4.39Å; L492-V501 VanDerWaalsContact C-CG1 3.47Å; L492-V501 HydrophobicContact CB-CG1 3.71Å; L492-V501 WeakPolarHBondContact O-CG1 3.29Å; A493-V501 HydrophobicContact CB-CG1 4.39Å; A493-V501 HydrophobicContact CB-CG2 4.36Å; Y496-V501 HydrophobicContact CD2-CG1 4.2Å; Y496-V501 VanDerWaalsContact CD2-O 3.27Å; Y496-V501 WeakPolarHBondContact CD2-O 3.45Å; I499-V501 PolarHBondContact O-N 3.33Å; I499-V501 VanDerWaalsContact O-N 3.09Å; V501-H505 WeakPolarHBondContact O-CB 3.45Å; V501-H505 PolarHBondContact O-N 2.96Å; V501-H505 VanDerWaalsContact O-N 3.13Å
502	L	98.5	Very high	97.6	Very high	5 Å²	5	41 Å²	41	3%	0.026	21%	0.206	C	C	.	.	H	α-helix	trans	-69.2	-45.8	179	-74.4	166.2	0	0	0	111.3	P478 L480 N482 L485 S500 N504 H505 H506	P478-L502 VanDerWaalsContact CD-CD2 3.41Å; P478-L502 HydrophobicContact CG-CD2 3.86Å; L480-L502 VanDerWaalsContact O-CD1 3.28Å; L480-L502 WeakPolarHBondContact O-CD1 3.3Å; N482-L502 VanDerWaalsContact OD1-CB 3.24Å; N482-L502 WeakPolarHBondContact OD1-CB 3.44Å; N482-L502 WeakPolarHBondContact OD1-CD1 3.48Å; N482-L502 WeakPolarHBondContact OD1-CG 3.09Å; N482-L502 PolarHBondContact OD1-N 3.01Å; L485-L502 HydrophobicContact CD1-CD1 4.39Å; L485-L502 HydrophobicContact CD1-CD2 3.78Å; L485-L502 HydrophobicContact CD1-CG 3.87Å; S500-L502 PolarHBondContact O-N 2.71Å; L502-N504 VanDerWaalsContact C-N 3.31Å; L502-N504 PolarHBondContact O-N 3.21Å; L502-H505 CarbonylContact O-C 3.58Å; L502-H505 WeakPolarHBondContact O-CA 3.28Å; L502-H505 VanDerWaalsContact O-CB 3.29Å; L502-H505 WeakPolarHBondContact O-CB 3.06Å; L502-H505 PolarHBondContact O-N 3.42Å; L502-H506 PolarHBondContact O-CD2 3.19Å; L502-H506 PolarHBondContact O-N 3.06Å; L502-H506 PolarHBondContact O-ND1 3.33Å; L502-H506 PolarHBondContact O-NE2 3.32Å
503	E	98.7	Very high	97.5	Very high	18 Å²	18	40.1 Å²	40.1	8%	0.084	20%	0.201	C	C	.	.	H	α-helix	trans	-63	-39	-177.7	-59.9	75.5	-164.1	0	0	111.8	N482 S500 L507 V542 L543 D546	N482-E503 PolarHBondContact ND2-OE1 2.82Å; N482-E503 PolarHBondContact ND2-OE2 3.2Å; S500-E503 WeakPolarHBondContact CA-OE2 3.37Å; S500-E503 WeakPolarHBondContact CB-OE2 3.39Å; S500-E503 PolarHBondContact O-N 3.37Å; E503-L507 WeakPolarHBondContact O-CG 3.37Å; E503-L507 PolarHBondContact O-N 2.8Å; E503-V542 HydrophobicContact CB-CG1 4.37Å; E503-L543 HydrophobicContact CB-CD2 3.99Å; E503-D546 HydrophobicContact CG-CB 3.92Å; E503-D546 WeakPolarHBondContact OE1-CA 3.2Å
504	N	98.6	Very high	97.5	Very high	47 Å²	47	40.1 Å²	40.1	25%	0.251	20%	0.201	S	C	.	.	H	α-helix	trans	-65.1	-39.2	171	-84.6	-59.3	0	0	0	112.4	Y496 I499 S500 L502 L507 H508	Y496-N504 HydrophobicContact CD1-CB 3.45Å; Y496-N504 VanDerWaalsContact CD1-CB 3.45Å; Y496-N504 HydrophobicContact CD2-CB 4.21Å; Y496-N504 HydrophobicContact CE1-CB 3.6Å; Y496-N504 HydrophobicContact CE2-CB 4.35Å; Y496-N504 HydrophobicContact CG-CB 3.77Å; I499-N504 PolarHBondContact O-ND2 3.39Å; S500-N504 WeakPolarHBondContact O-CB 3.5Å; S500-N504 PolarHBondContact O-N 3.46Å; S500-N504 PolarHBondContact O-ND2 3.32Å; S500-N504 VanDerWaalsContact O-ND2 3.16Å; L502-N504 VanDerWaalsContact C-N 3.31Å; L502-N504 PolarHBondContact O-N 3.21Å; N504-L507 PolarHBondContact O-N 2.99Å; N504-H508 WeakPolarHBondContact O-CB 3.37Å; N504-H508 PolarHBondContact O-N 3.36Å
505	H	98.6	Very high	97.3	Very high	19 Å²	19	39.9 Å²	39.9	9%	0.088	20%	0.2	C	C	.	.	H	α-helix	trans	-63.5	-46.7	175.1	-175	56	0	0	0	112.1	D476 L492 Y496 V501 L502 L507 H508 V509	D476-H505 IonicContact OD2-CD2 3.66Å; D476-H505 IonicContact OD2-CE1 3.8Å; D476-H505 PolarHBondContact OD2-CE1 3.47Å; D476-H505 IonicContact OD2-NE2 3.97Å; D476-H505 PolarHBondContact OD2-NE2 3.24Å; L492-H505 HydrophobicContact CD2-CB 4.45Å; L492-H505 WeakPolarHBondContact CD2-ND1 3.07Å; Y496-H505 HydrophobicContact CE2-CB 3.71Å; Y496-H505 WeakPolarHBondContact OH-CA 3.26Å; V501-H505 WeakPolarHBondContact O-CB 3.45Å; V501-H505 PolarHBondContact O-N 2.96Å; V501-H505 VanDerWaalsContact O-N 3.13Å; L502-H505 CarbonylContact O-C 3.58Å; L502-H505 WeakPolarHBondContact O-CA 3.28Å; L502-H505 VanDerWaalsContact O-CB 3.29Å; L502-H505 WeakPolarHBondContact O-CB 3.06Å; L502-H505 PolarHBondContact O-N 3.42Å; H505-L507 VanDerWaalsContact C-N 3.3Å; H505-L507 PolarHBondContact O-N 2.82Å; H505-H508 WeakPolarHBondContact O-CB 3.11Å; H505-H508 PolarHBondContact O-N 3.07Å; H505-V509 VanDerWaalsContact CE1-CG2 3.46Å; H505-V509 WeakPolarHBondContact CE1-CG2 3.2Å; H505-V509 WeakPolarHBondContact O-CG2 3.44Å; H505-V509 PolarHBondContact O-N 3.25Å
506	H	98.7	Very high	97.2	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-55.5	-46.5	177.2	-57.9	-34.1	0	0	0	111.1	H473 D474 I475 H477 L502 A510 V542	H473-H506 WeakPolarHBondContact O-CB 3.17Å; H473-H506 PolarHBondContact O-CD2 2.9Å; D474-H506 IonicContact OD1-NE2 3.56Å; I475-H506 HydrophobicContact CG2-CB 4.05Å; I475-H506 WeakPolarHBondContact CG2-O 3.01Å; I475-H506 PolarHBondContact O-ND1 3.48Å; H477-H506 AromaticContact CD2-CE1 3.84Å; H477-H506 AromaticContact CD2-NE2 3.72Å; L502-H506 PolarHBondContact O-CD2 3.19Å; L502-H506 PolarHBondContact O-N 3.06Å; L502-H506 PolarHBondContact O-ND1 3.33Å; L502-H506 PolarHBondContact O-NE2 3.32Å; H506-A510 WeakPolarHBondContact O-CB 3.23Å; H506-A510 PolarHBondContact O-N 3.22Å; H506-A510 VanDerWaalsContact O-N 3.07Å; H506-V542 HydrophobicContact CB-CG1 4.26Å
507	L	98.7	Very high	97	Very high	9 Å²	9	39.8 Å²	39.8	5%	0.047	21%	0.205	C	C	.	.	H	α-helix	trans	-61.7	-46.3	173.8	-74.1	166.8	0	0	0	112.6	I472 E503 N504 H505 A510 F511 V538 I539 V542 L543	I472-L507 HydrophobicContact CD1-CD2 4.4Å; E503-L507 WeakPolarHBondContact O-CG 3.37Å; E503-L507 PolarHBondContact O-N 2.8Å; N504-L507 PolarHBondContact O-N 2.99Å; H505-L507 VanDerWaalsContact C-N 3.3Å; H505-L507 PolarHBondContact O-N 2.82Å; L507-A510 PolarHBondContact O-N 3.38Å; L507-F511 HydrophobicContact CB-CD2 4.48Å; L507-F511 HydrophobicContact CD2-CD2 4.28Å; L507-F511 HydrophobicContact CD2-CE2 3.78Å; L507-F511 WeakPolarHBondContact O-CB 3.37Å; L507-F511 VanDerWaalsContact O-CD2 3.27Å; L507-F511 WeakPolarHBondContact O-CD2 3.36Å; L507-F511 PolarHBondContact O-N 3.02Å; L507-V538 HydrophobicContact CD2-CG1 4.04Å; L507-I539 HydrophobicContact CD1-CB 4.33Å; L507-I539 HydrophobicContact CD1-CG1 4.31Å; L507-I539 HydrophobicContact CD1-CG2 4.15Å; L507-I539 HydrophobicContact CD2-CG1 4.14Å; L507-V542 HydrophobicContact CD1-CB 4.11Å; L507-V542 HydrophobicContact CD1-CG1 4.31Å; L507-V542 HydrophobicContact CD2-CB 3.76Å; L507-V542 HydrophobicContact CD2-CG1 4.28Å; L507-V542 HydrophobicContact CD2-CG2 3.81Å; L507-V542 HydrophobicContact CG-CB 3.81Å; L507-V542 HydrophobicContact CG-CG1 3.85Å; L507-V542 HydrophobicContact CG-CG2 4.31Å; L507-L543 HydrophobicContact CD1-CD2 4Å; L507-L543 HydrophobicContact CD1-CG 3.83Å
508	H	98.4	Very high	96.8	Very high	87 Å²	87	40.9 Å²	40.9	40%	0.403	21%	0.21	S	C	.	.	H	α-helix	trans	-57.2	-51.5	178.3	171.9	84.4	0	0	0	111.3	Y496 N504 H505 A510 K512	Y496-H508 WeakPolarHBondContact OH-CB 3.48Å; N504-H508 WeakPolarHBondContact O-CB 3.37Å; N504-H508 PolarHBondContact O-N 3.36Å; H505-H508 WeakPolarHBondContact O-CB 3.11Å; H505-H508 PolarHBondContact O-N 3.07Å; H508-A510 PolarHBondContact O-N 3.11Å; H508-K512 WeakPolarHBondContact O-CB 3.48Å; H508-K512 PolarHBondContact O-N 3.23Å
509	V	98.2	Very high	96.5	Very high	17 Å²	17	41 Å²	41	10%	0.103	21%	0.208	C	C	.	.	H	α-helix	trans	-60.9	-47.2	-178	174.6	0	0	0	0	110.8	I475 D476 H505 K512 L513	I475-V509 HydrophobicContact CD1-CG1 3.99Å; I475-V509 HydrophobicContact CG1-CG1 4.22Å; I475-V509 HydrophobicContact CG2-CB 4.2Å; I475-V509 HydrophobicContact CG2-CG1 4.31Å; D476-V509 HydrophobicContact CB-CG1 4.2Å; D476-V509 HydrophobicContact CB-CG2 4.05Å; H505-V509 VanDerWaalsContact CE1-CG2 3.46Å; H505-V509 WeakPolarHBondContact CE1-CG2 3.2Å; H505-V509 WeakPolarHBondContact O-CG2 3.44Å; H505-V509 PolarHBondContact O-N 3.25Å; V509-K512 PolarHBondContact O-N 2.79Å; V509-L513 WeakPolarHBondContact O-CB 3.31Å; V509-L513 PolarHBondContact O-N 3.49Å
510	A	98.2	Very high	96.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-65.2	-46.9	-179.3	0	0	0	0	0	113	I472 I475 H506 L507 H508 L513 I514	I472-A510 HydrophobicContact CB-CB 3.9Å; I472-A510 HydrophobicContact CD1-CB 3.4Å; I472-A510 HydrophobicContact CG1-CB 4.25Å; I472-A510 HydrophobicContact CG2-CB 3.89Å; I475-A510 HydrophobicContact CG2-CB 4.31Å; H506-A510 WeakPolarHBondContact O-CB 3.23Å; H506-A510 PolarHBondContact O-N 3.22Å; H506-A510 VanDerWaalsContact O-N 3.07Å; L507-A510 PolarHBondContact O-N 3.38Å; H508-A510 PolarHBondContact O-N 3.11Å; A510-L513 WeakPolarHBondContact O-CB 3.5Å; A510-L513 PolarHBondContact O-N 3.45Å; A510-I514 PolarHBondContact O-N 2.83Å; A510-I514 VanDerWaalsContact O-N 3.13Å
511	F	98	Very high	96.5	Very high	15 Å²	15	39.5 Å²	39.5	7%	0.066	20%	0.199	C	C	.	.	H	α-helix	trans	-71.2	-33.2	179.3	-79.4	-64.3	0	0	0	112.4	L507 L513 N515 F534 R535 V538 I539	L507-F511 HydrophobicContact CB-CD2 4.48Å; L507-F511 HydrophobicContact CD2-CD2 4.28Å; L507-F511 HydrophobicContact CD2-CE2 3.78Å; L507-F511 WeakPolarHBondContact O-CB 3.37Å; L507-F511 VanDerWaalsContact O-CD2 3.27Å; L507-F511 WeakPolarHBondContact O-CD2 3.36Å; L507-F511 PolarHBondContact O-N 3.02Å; F511-L513 VanDerWaalsContact C-N 3.34Å; F511-N515 WeakPolarHBondContact O-CB 3.48Å; F511-N515 PolarHBondContact O-N 3.05Å; F511-N515 VanDerWaalsContact O-N 3.11Å; F511-N515 PolarHBondContact O-ND2 2.79Å; F511-F534 HydrophobicContact CE1-CE1 4.14Å; F511-R535 HydrophobicContact CE1-CB 4.3Å; F511-R535 HydrophobicContact CE1-CG 4.12Å; F511-R535 HydrophobicContact CE2-CG 4.39Å; F511-R535 HydrophobicContact CZ-CB 4.25Å; F511-R535 HydrophobicContact CZ-CG 3.89Å; F511-V538 HydrophobicContact CE2-CG1 4.06Å; F511-V538 HydrophobicContact CZ-CB 4Å; F511-V538 HydrophobicContact CZ-CG1 3.85Å; F511-I539 HydrophobicContact CE2-CG1 3.96Å
512	K	97.5	Very high	96.4	Very high	121 Å²	121	39.5 Å²	39.5	53%	0.526	20%	0.199	S	C	.	.	H	α-helix	trans	-62.7	-43	171.7	-176.8	175.9	-177.1	177.3	0	110.7	H508 V509 N515 T516	H508-K512 WeakPolarHBondContact O-CB 3.48Å; H508-K512 PolarHBondContact O-N 3.23Å; V509-K512 PolarHBondContact O-N 2.79Å; K512-N515 PolarHBondContact O-N 3.36Å; K512-T516 HydrophobicContact CG-CG2 4.21Å; K512-T516 WeakPolarHBondContact O-CB 3.45Å; K512-T516 VanDerWaalsContact O-CG2 3.25Å; K512-T516 WeakPolarHBondContact O-CG2 3.28Å; K512-T516 PolarHBondContact O-N 3.22Å; K512-T516 PolarHBondContact O-OG1 3.5Å
513	L	96.6	Very high	96.3	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.016	20%	0.2	C	C	.	.	H	α-helix	trans	-56.1	-54.6	175.8	166.4	58.8	0	0	0	111.6	Q421 I422 V509 A510 F511 N515 T516 Q517 C520	Q421-L513 HydrophobicContact CB-CD1 3.85Å; Q421-L513 HydrophobicContact CB-CD2 3.87Å; Q421-L513 HydrophobicContact CB-CG 4.47Å; I422-L513 HydrophobicContact CG1-CD2 3.77Å; V509-L513 WeakPolarHBondContact O-CB 3.31Å; V509-L513 PolarHBondContact O-N 3.49Å; A510-L513 WeakPolarHBondContact O-CB 3.5Å; A510-L513 PolarHBondContact O-N 3.45Å; F511-L513 VanDerWaalsContact C-N 3.34Å; L513-N515 VanDerWaalsContact C-N 3.3Å; L513-N515 PolarHBondContact O-N 3.32Å; L513-T516 PolarHBondContact O-N 2.99Å; L513-T516 PolarHBondContact O-OG1 3.27Å; L513-Q517 HydrophobicContact CD1-CB 4.09Å; L513-Q517 HydrophobicContact CD1-CG 3.85Å; L513-Q517 PolarHBondContact O-N 2.87Å; L513-C520 HydrophobicContact CD1-CB 4.38Å
514	I	96	Very high	96.1	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-62.7	-35	-177.7	-68.9	164.9	0	0	0	112.3	F468 A510 D521 F522 T523	F468-I514 HydrophobicContact CE1-CD1 3.95Å; F468-I514 HydrophobicContact CE2-CD1 3.79Å; F468-I514 HydrophobicContact CZ-CD1 3.23Å; F468-I514 HydrophobicContact CZ-CG1 4.43Å; A510-I514 PolarHBondContact O-N 2.83Å; A510-I514 VanDerWaalsContact O-N 3.13Å; I514-D521 WeakPolarHBondContact O-CB 3.45Å; I514-F522 HydrophobicContact CD1-CE1 3.49Å; I514-F522 VanDerWaalsContact CD1-CE1 3.49Å; I514-F522 HydrophobicContact CD1-CZ 3.52Å; I514-F522 HydrophobicContact CG1-CE1 3.97Å; I514-F522 HydrophobicContact CG1-CZ 4.41Å; I514-T523 HydrophobicContact CG2-CG2 3.71Å
515	N	93.2	Very high	95.9	Very high	100 Å²	100	45.5 Å²	45.5	54%	0.535	22%	0.221	S	C	.	.	H	α-helix	trans	-83.7	-17.1	-179.2	-72	-63.3	0	0	0	113.9	F511 K512 L513	F511-N515 WeakPolarHBondContact O-CB 3.48Å; F511-N515 PolarHBondContact O-N 3.05Å; F511-N515 VanDerWaalsContact O-N 3.11Å; F511-N515 PolarHBondContact O-ND2 2.79Å; K512-N515 PolarHBondContact O-N 3.36Å; L513-N515 VanDerWaalsContact C-N 3.3Å; L513-N515 PolarHBondContact O-N 3.32Å
516	T	94	Very high	95.8	Very high	98 Å²	98	45.3 Å²	45.3	60%	0.601	22%	0.22	S	C	*	.	H	α-helix	trans	-104.9	-31.5	-176.6	56.4	0	0	0	0	113.8	K512 L513	K512-T516 HydrophobicContact CG-CG2 4.21Å; K512-T516 WeakPolarHBondContact O-CB 3.45Å; K512-T516 VanDerWaalsContact O-CG2 3.25Å; K512-T516 WeakPolarHBondContact O-CG2 3.28Å; K512-T516 PolarHBondContact O-N 3.22Å; K512-T516 PolarHBondContact O-OG1 3.5Å; L513-T516 PolarHBondContact O-N 2.99Å; L513-T516 PolarHBondContact O-OG1 3.27Å
517	Q	93.7	Very high	95.7	Very high	39 Å²	39	48.9 Å²	48.9	18%	0.182	24%	0.242	C	C	.	.			trans	-101.6	112.6	-180	-66.7	-172	-0.6	0	0	111	Q421 L513 E519 C520 D521	Q421-Q517 VanDerWaalsContact CD-OE1 3.28Å; L513-Q517 HydrophobicContact CD1-CB 4.09Å; L513-Q517 HydrophobicContact CD1-CG 3.85Å; L513-Q517 PolarHBondContact O-N 2.87Å; Q517-E519 PolarHBondContact O-N 2.98Å; Q517-C520 HydrophobicContact CB-CB 4.12Å; Q517-C520 PolarHBondContact O-N 3.17Å; Q517-C520 PolarHBondContact OE1-SG 2.98Å; Q517-C520 VanDerWaalsContact OE1-SG 3.37Å; Q517-D521 PolarHBondContact O-N 2.9Å
518	I	92.1	Very high	95.5	Very high	134 Å²	134	55 Å²	55	69%	0.687	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-28.5	-170.7	-136.1	160.5	0	0	0	112.8	C520	I518-C520 VanDerWaalsContact C-N 3.29Å
519	E	92.2	Very high	95.3	Very high	86 Å²	86	58.1 Å²	58.1	40%	0.402	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-18.7	175.7	62.7	-86.1	-163.2	0	0	113.4	Q517	Q517-E519 PolarHBondContact O-N 2.98Å
520	C	93.7	Very high	95.2	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100	-14.6	177.5	-63.7	0	0	0	0	112.9	C418 Q421 L513 Q517 I518 F522	C418-C520 HydrophobicContact CB-CB 4.14Å; Q421-C520 VanDerWaalsContact CG-SG 3.57Å; L513-C520 HydrophobicContact CD1-CB 4.38Å; Q517-C520 HydrophobicContact CB-CB 4.12Å; Q517-C520 PolarHBondContact O-N 3.17Å; Q517-C520 PolarHBondContact OE1-SG 2.98Å; Q517-C520 VanDerWaalsContact OE1-SG 3.37Å; I518-C520 VanDerWaalsContact C-N 3.29Å; C520-F522 VanDerWaalsContact C-N 3.34Å; C520-F522 WeakPolarHBondContact O-CD1 3.28Å; C520-F522 PolarHBondContact O-N 3.12Å
521	D	95.5	Very high	95.2	Very high	29 Å²	29	63.7 Å²	63.7	16%	0.155	31%	0.314	C	S	.	.			trans	-72.9	84.6	-176.6	-173.3	11.2	0	0	0	111.9	I514 Q517 T523 K524	I514-D521 WeakPolarHBondContact O-CB 3.45Å; Q517-D521 PolarHBondContact O-N 2.9Å; D521-T523 VanDerWaalsContact C-N 3.28Å; D521-T523 WeakPolarHBondContact OD1-CA 3.38Å; D521-T523 WeakPolarHBondContact OD1-CB 3.32Å; D521-T523 PolarHBondContact OD1-N 2.9Å; D521-T523 PolarHBondContact OD1-OG1 3.33Å; D521-K524 VanDerWaalsContact O-CD 3.24Å; D521-K524 WeakPolarHBondContact O-CD 3.49Å; D521-K524 VanDerWaalsContact O-CE 3.24Å; D521-K524 WeakPolarHBondContact O-CE 3.31Å; D521-K524 VanDerWaalsContact O-CG 3.3Å; D521-K524 WeakPolarHBondContact O-CG 3.3Å; D521-K524 PolarHBondContact OD1-N 2.94Å
522	F	96.2	Very high	95	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	34%	0.343	C	S	.	.			trans	-76.3	-16.7	167.6	60.4	-101.4	0	0	0	112.4	I410 T414 C418 F464 F468 I514 C520 K524 Y525 F526 F534	I410-F522 HydrophobicContact CD1-CB 4.44Å; I410-F522 HydrophobicContact CD1-CD2 4.36Å; I410-F522 HydrophobicContact CG1-CB 4.45Å; I410-F522 HydrophobicContact CG2-CB 3.68Å; T414-F522 HydrophobicContact CG2-CB 4.14Å; C418-F522 HydrophobicContact CB-CD1 4.45Å; F464-F522 AromaticContact CE1-CD2 3.88Å; F464-F522 HydrophobicContact CE1-CD2 3.88Å; F464-F522 AromaticContact CE1-CE2 3.43Å; F464-F522 HydrophobicContact CE1-CE2 3.43Å; F464-F522 VanDerWaalsContact CE1-CE2 3.43Å; F464-F522 AromaticContact CE1-CZ 3.95Å; F464-F522 HydrophobicContact CE1-CZ 3.95Å; F464-F522 AromaticContact CZ-CD2 3.77Å; F464-F522 HydrophobicContact CZ-CD2 3.77Å; F464-F522 HydrophobicContact CZ-CE1 4.36Å; F464-F522 AromaticContact CZ-CE2 3.62Å; F464-F522 HydrophobicContact CZ-CE2 3.62Å; F464-F522 HydrophobicContact CZ-CG 4.25Å; F464-F522 AromaticContact CZ-CZ 3.93Å; F464-F522 HydrophobicContact CZ-CZ 3.93Å; F468-F522 AromaticContact CD2-CE1 3.95Å; F468-F522 HydrophobicContact CD2-CE1 3.95Å; F468-F522 AromaticContact CD2-CZ 3.82Å; F468-F522 HydrophobicContact CD2-CZ 3.82Å; F468-F522 AromaticContact CE2-CE1 3.62Å; F468-F522 HydrophobicContact CE2-CE1 3.62Å; F468-F522 AromaticContact CE2-CZ 3.72Å; F468-F522 HydrophobicContact CE2-CZ 3.72Å; F468-F522 HydrophobicContact CG-CZ 4.32Å; F468-F522 HydrophobicContact CZ-CE1 4.28Å; F468-F522 HydrophobicContact CZ-CZ 4.13Å; I514-F522 HydrophobicContact CD1-CE1 3.49Å; I514-F522 VanDerWaalsContact CD1-CE1 3.49Å; I514-F522 HydrophobicContact CD1-CZ 3.52Å; I514-F522 HydrophobicContact CG1-CE1 3.97Å; I514-F522 HydrophobicContact CG1-CZ 4.41Å; C520-F522 VanDerWaalsContact C-N 3.34Å; C520-F522 WeakPolarHBondContact O-CD1 3.28Å; C520-F522 PolarHBondContact O-N 3.12Å; F522-K524 PolarHBondContact O-N 3.2Å; F522-Y525 WeakPolarHBondContact O-CD2 3.43Å; F522-Y525 PolarHBondContact O-N 3.03Å; F522-F526 HydrophobicContact CD2-CE2 4.05Å; F522-F526 AromaticContact CD2-CZ 3.98Å; F522-F526 HydrophobicContact CD2-CZ 3.98Å; F522-F526 HydrophobicContact CE2-CE2 4.02Å; F522-F526 HydrophobicContact CE2-CZ 4.23Å; F522-F534 AromaticContact CE2-CE1 3.8Å; F522-F534 HydrophobicContact CE2-CE1 3.8Å; F522-F534 HydrophobicContact CE2-CE2 4.33Å; F522-F534 AromaticContact CE2-CZ 3.63Å; F522-F534 HydrophobicContact CE2-CZ 3.63Å; F522-F534 AromaticContact CZ-CE1 3.99Å; F522-F534 HydrophobicContact CZ-CE1 3.99Å; F522-F534 AromaticContact CZ-CZ 3.67Å; F522-F534 HydrophobicContact CZ-CZ 3.67Å
523	T	94.6	Very high	95	Very high	6 Å²	6	66.7 Å²	66.7	4%	0.037	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-71.8	-17.1	-175.5	72.5	0	0	0	0	112.7	I514 D521 Y525 F526 K531 F534	I514-T523 HydrophobicContact CG2-CG2 3.71Å; D521-T523 VanDerWaalsContact C-N 3.28Å; D521-T523 WeakPolarHBondContact OD1-CA 3.38Å; D521-T523 WeakPolarHBondContact OD1-CB 3.32Å; D521-T523 PolarHBondContact OD1-N 2.9Å; D521-T523 PolarHBondContact OD1-OG1 3.33Å; T523-Y525 PolarHBondContact O-N 3.03Å; T523-F526 WeakPolarHBondContact O-CB 3.17Å; T523-F526 PolarHBondContact O-N 2.87Å; T523-K531 WeakPolarHBondContact OG1-CE 3.34Å; T523-K531 PolarHBondContact OG1-NZ 2.9Å; T523-F534 HydrophobicContact CG2-CE1 4.37Å
524	K	94.5	Very high	95.1	Very high	102 Å²	102	66.6 Å²	66.6	44%	0.443	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-62.1	-19.5	171.7	73.2	-166	177.2	-168.3	0	114	D521 F522	D521-K524 VanDerWaalsContact O-CD 3.24Å; D521-K524 WeakPolarHBondContact O-CD 3.49Å; D521-K524 VanDerWaalsContact O-CE 3.24Å; D521-K524 WeakPolarHBondContact O-CE 3.31Å; D521-K524 VanDerWaalsContact O-CG 3.3Å; D521-K524 WeakPolarHBondContact O-CG 3.3Å; D521-K524 PolarHBondContact OD1-N 2.94Å; F522-K524 PolarHBondContact O-N 3.2Å
525	Y	95.9	Very high	95.2	Very high	88 Å²	88	72 Å²	72	35%	0.345	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-88	-6.1	175.7	-56.9	-75.2	0	0	0	112.9	S409 P411 F522 T523	S409-Y525 WeakPolarHBondContact O-CB 3.27Å; S409-Y525 WeakPolarHBondContact O-CD1 3.38Å; P411-Y525 HydrophobicContact CG-CE1 3.92Å; P411-Y525 HydrophobicContact CG-CE2 3.82Å; P411-Y525 VanDerWaalsContact CG-CZ 3.46Å; P411-Y525 WeakPolarHBondContact CG-OH 3.48Å; F522-Y525 WeakPolarHBondContact O-CD2 3.43Å; F522-Y525 PolarHBondContact O-N 3.03Å; T523-Y525 PolarHBondContact O-N 3.03Å
526	F	96.1	Very high	95.4	Very high	16 Å²	16	73.6 Å²	73.6	7%	0.07	36%	0.357	C	S	.	.	S	Bend	trans	-88.8	148	176	-64.2	-13.9	0	0	0	111.6	L408 I410 L461 F464 F522 T523 Q530 K531 F534	L408-F526 HydrophobicContact CB-CE1 4.05Å; L408-F526 HydrophobicContact CD1-CE1 4.19Å; L408-F526 HydrophobicContact CD1-CZ 4.36Å; I410-F526 HydrophobicContact CD1-CE1 3.73Å; I410-F526 HydrophobicContact CD1-CZ 3.85Å; I410-F526 HydrophobicContact CG1-CE1 3.94Å; I410-F526 HydrophobicContact CG1-CZ 4.5Å; L461-F526 HydrophobicContact CD1-CE2 4.23Å; L461-F526 HydrophobicContact CD1-CZ 4.19Å; F464-F526 AromaticContact CD1-CZ 3.92Å; F464-F526 HydrophobicContact CD1-CZ 3.92Å; F464-F526 HydrophobicContact CE1-CE2 4.26Å; F464-F526 AromaticContact CE1-CZ 3.74Å; F464-F526 HydrophobicContact CE1-CZ 3.74Å; F464-F526 HydrophobicContact CZ-CZ 4.5Å; F522-F526 HydrophobicContact CD2-CE2 4.05Å; F522-F526 AromaticContact CD2-CZ 3.98Å; F522-F526 HydrophobicContact CD2-CZ 3.98Å; F522-F526 HydrophobicContact CE2-CE2 4.02Å; F522-F526 HydrophobicContact CE2-CZ 4.23Å; T523-F526 WeakPolarHBondContact O-CB 3.17Å; T523-F526 PolarHBondContact O-N 2.87Å; F526-Q530 HydrophobicContact CB-CB 3.85Å; F526-Q530 HydrophobicContact CG-CB 4.24Å; F526-K531 HydrophobicContact CB-CB 4.29Å; F526-F534 HydrophobicContact CD2-CB 4.42Å; F526-F534 HydrophobicContact CD2-CG 4.5Å; F526-F534 HydrophobicContact CE2-CB 4.19Å; F526-F534 HydrophobicContact CE2-CD1 4.16Å; F526-F534 HydrophobicContact CE2-CD2 4.14Å; F526-F534 AromaticContact CE2-CG 3.89Å; F526-F534 HydrophobicContact CE2-CG 3.89Å
527	T	96.3	Very high	95.6	Very high	76 Å²	76	69 Å²	69	47%	0.466	33%	0.328	S	S	.	.			trans	-64.3	157.4	162	62.9	0	0	0	0	110.5	Q529 Q530 K531	T527-Q529 PolarHBondContact O-N 2.8Å; T527-Q529 VanDerWaalsContact O-N 3.15Å; T527-Q530 PolarHBondContact O-N 3.04Å; T527-Q530 WeakPolarHBondContact OG1-CB 3.35Å; T527-Q530 VanDerWaalsContact OG1-CG 3.29Å; T527-Q530 WeakPolarHBondContact OG1-CG 3.33Å; T527-Q530 PolarHBondContact OG1-N 3.36Å; T527-Q530 PolarHBondContact OG1-OE1 3.13Å; T527-K531 PolarHBondContact O-N 3.1Å
528	N	94.5	Very high	95.8	Very high	136 Å²	136	67.1 Å²	67.1	73%	0.727	32%	0.32	S	S	*	.	H	α-helix	trans	-54.6	-37.1	177.1	-70.1	-22.1	0	0	0	112.8	L532	N528-L532 WeakPolarHBondContact O-CG 3.26Å; N528-L532 PolarHBondContact O-N 3Å; N528-L532 VanDerWaalsContact O-N 3.12Å
529	Q	94.6	Very high	96.1	Very high	154 Å²	154	63 Å²	63	72%	0.72	30%	0.298	S	S	*	.	H	α-helix	trans	-66.6	-45.1	176.1	-71.2	180	-25	0	0	111.9	T527 K531 L532 L533	T527-Q529 PolarHBondContact O-N 2.8Å; T527-Q529 VanDerWaalsContact O-N 3.15Å; Q529-K531 VanDerWaalsContact C-N 3.35Å; Q529-L532 PolarHBondContact O-N 2.87Å; Q529-L533 WeakPolarHBondContact O-CB 3.34Å; Q529-L533 PolarHBondContact O-N 3.25Å
530	Q	96.8	Very high	96.4	Very high	62 Å²	62	60.2 Å²	60.2	29%	0.29	29%	0.29	S	S	.	.	H	α-helix	trans	-63.4	-40.2	176	-74.9	167	-48	0	0	111.6	L461 F526 T527 L533 F534	L461-Q530 HydrophobicContact CD1-CB 4.38Å; L461-Q530 HydrophobicContact CD2-CB 4.13Å; L461-Q530 HydrophobicContact CD2-CG 4.14Å; F526-Q530 HydrophobicContact CB-CB 3.85Å; F526-Q530 HydrophobicContact CG-CB 4.24Å; T527-Q530 PolarHBondContact O-N 3.04Å; T527-Q530 WeakPolarHBondContact OG1-CB 3.35Å; T527-Q530 VanDerWaalsContact OG1-CG 3.29Å; T527-Q530 WeakPolarHBondContact OG1-CG 3.33Å; T527-Q530 PolarHBondContact OG1-N 3.36Å; T527-Q530 PolarHBondContact OG1-OE1 3.13Å; Q530-L533 PolarHBondContact O-N 3.33Å; Q530-F534 WeakPolarHBondContact O-CB 3.27Å; Q530-F534 PolarHBondContact O-N 2.87Å
531	K	96.3	Very high	96.6	Very high	72 Å²	72	60.2 Å²	60.2	31%	0.313	29%	0.29	S	S	.	.	H	α-helix	trans	-63.3	-43.3	178.8	-169.6	166.7	176.7	160.6	0	112	T523 F526 T527 Q529 R535	T523-K531 WeakPolarHBondContact OG1-CE 3.34Å; T523-K531 PolarHBondContact OG1-NZ 2.9Å; F526-K531 HydrophobicContact CB-CB 4.29Å; T527-K531 PolarHBondContact O-N 3.1Å; Q529-K531 VanDerWaalsContact C-N 3.35Å; K531-R535 WeakPolarHBondContact O-CB 3.47Å; K531-R535 PolarHBondContact O-N 3.24Å; K531-R535 VanDerWaalsContact O-N 3.11Å
532	L	95.5	Very high	96.8	Very high	130 Å²	130	58.8 Å²	58.8	68%	0.681	28%	0.283	S	S	*	.	H	α-helix	trans	-65	-46.2	174.8	-70.1	172.3	0	0	0	111.9	N528 Q529 R535 K536	N528-L532 WeakPolarHBondContact O-CG 3.26Å; N528-L532 PolarHBondContact O-N 3Å; N528-L532 VanDerWaalsContact O-N 3.12Å; Q529-L532 PolarHBondContact O-N 2.87Å; L532-R535 PolarHBondContact O-N 3.27Å; L532-K536 PolarHBondContact O-N 3.05Å
533	L	96.4	Very high	96.9	Very high	68 Å²	68	59.6 Å²	59.6	36%	0.356	29%	0.287	S	S	.	.	H	α-helix	trans	-66.5	-45.1	-179.6	-173.9	59.6	0	0	0	111.7	L461 Q529 Q530 R535 K536 M537 Y577	L461-L533 HydrophobicContact CD2-CB 4.18Å; L461-L533 HydrophobicContact CD2-CD2 3.99Å; L461-L533 HydrophobicContact CD2-CG 4.19Å; Q529-L533 WeakPolarHBondContact O-CB 3.34Å; Q529-L533 PolarHBondContact O-N 3.25Å; Q530-L533 PolarHBondContact O-N 3.33Å; L533-R535 PolarHBondContact O-N 3.4Å; L533-K536 PolarHBondContact O-N 2.92Å; L533-M537 HydrophobicContact CD1-CG 4.42Å; L533-M537 HydrophobicContact CG-CE 4.13Å; L533-M537 HydrophobicContact CG-SD 4.4Å; L533-M537 VanDerWaalsContact O-CG 3.31Å; L533-M537 WeakPolarHBondContact O-CG 3.1Å; L533-M537 PolarHBondContact O-N 3.16Å; L533-Y577 HydrophobicContact CD1-CD2 4.45Å; L533-Y577 HydrophobicContact CD1-CE2 3.63Å
534	F	98.1	Very high	97.1	Very high	1 Å²	1	59.5 Å²	59.5	0%	0.004	29%	0.287	C	S	.	.	H	α-helix	trans	-53.7	-51.1	174.1	170.4	-103.3	0	0	0	111.3	L461 F464 A465 F468 F511 F522 T523 F526 Q530 K536 M537 V538	L461-F534 HydrophobicContact CD1-CB 4.23Å; F464-F534 AromaticContact CD1-CD2 3.93Å; F464-F534 HydrophobicContact CD1-CD2 3.93Å; F464-F534 AromaticContact CD1-CE2 3.53Å; F464-F534 HydrophobicContact CD1-CE2 3.53Å; F464-F534 HydrophobicContact CD1-CZ 4.42Å; F464-F534 HydrophobicContact CE1-CD2 4.13Å; F464-F534 AromaticContact CE1-CE2 3.43Å; F464-F534 HydrophobicContact CE1-CE2 3.43Å; F464-F534 VanDerWaalsContact CE1-CE2 3.43Å; F464-F534 AromaticContact CE1-CZ 3.88Å; F464-F534 HydrophobicContact CE1-CZ 3.88Å; A465-F534 HydrophobicContact CB-CD2 4.03Å; A465-F534 HydrophobicContact CB-CE2 4.31Å; F468-F534 HydrophobicContact CB-CE2 4.2Å; F468-F534 HydrophobicContact CB-CZ 4.28Å; F468-F534 HydrophobicContact CD1-CE1 4.5Å; F468-F534 HydrophobicContact CD1-CE2 4.19Å; F468-F534 AromaticContact CD1-CZ 3.54Å; F468-F534 HydrophobicContact CD1-CZ 3.54Å; F468-F534 HydrophobicContact CE1-CZ 4.06Å; F468-F534 HydrophobicContact CG-CE2 4.29Å; F468-F534 AromaticContact CG-CZ 3.87Å; F468-F534 HydrophobicContact CG-CZ 3.87Å; F511-F534 HydrophobicContact CE1-CE1 4.14Å; F522-F534 AromaticContact CE2-CE1 3.8Å; F522-F534 HydrophobicContact CE2-CE1 3.8Å; F522-F534 HydrophobicContact CE2-CE2 4.33Å; F522-F534 AromaticContact CE2-CZ 3.63Å; F522-F534 HydrophobicContact CE2-CZ 3.63Å; F522-F534 AromaticContact CZ-CE1 3.99Å; F522-F534 HydrophobicContact CZ-CE1 3.99Å; F522-F534 AromaticContact CZ-CZ 3.67Å; F522-F534 HydrophobicContact CZ-CZ 3.67Å; T523-F534 HydrophobicContact CG2-CE1 4.37Å; F526-F534 HydrophobicContact CD2-CB 4.42Å; F526-F534 HydrophobicContact CD2-CG 4.5Å; F526-F534 HydrophobicContact CE2-CB 4.19Å; F526-F534 HydrophobicContact CE2-CD1 4.16Å; F526-F534 HydrophobicContact CE2-CD2 4.14Å; F526-F534 AromaticContact CE2-CG 3.89Å; F526-F534 HydrophobicContact CE2-CG 3.89Å; Q530-F534 WeakPolarHBondContact O-CB 3.27Å; Q530-F534 PolarHBondContact O-N 2.87Å; F534-K536 VanDerWaalsContact C-N 3.34Å; F534-K536 PolarHBondContact O-N 3.46Å; F534-M537 PolarHBondContact O-N 3.37Å; F534-V538 HydrophobicContact CD2-CG2 3.96Å; F534-V538 HydrophobicContact CE1-CG2 4.25Å; F534-V538 HydrophobicContact CE2-CG2 3.56Å; F534-V538 HydrophobicContact CG-CG2 4.47Å; F534-V538 HydrophobicContact CZ-CG2 3.72Å; F534-V538 WeakPolarHBondContact O-CG2 3.31Å; F534-V538 PolarHBondContact O-N 3.42Å
535	R	98	Very high	97.2	Very high	116 Å²	116	54.9 Å²	54.9	44%	0.438	27%	0.267	S	S	.	.	H	α-helix	trans	-59.2	-45.7	178.3	179.1	173.6	174.1	79.3	-0.2	111.5	F511 K531 L532 L533 M537 V538 I539	F511-R535 HydrophobicContact CE1-CB 4.3Å; F511-R535 HydrophobicContact CE1-CG 4.12Å; F511-R535 HydrophobicContact CE2-CG 4.39Å; F511-R535 HydrophobicContact CZ-CB 4.25Å; F511-R535 HydrophobicContact CZ-CG 3.89Å; K531-R535 WeakPolarHBondContact O-CB 3.47Å; K531-R535 PolarHBondContact O-N 3.24Å; K531-R535 VanDerWaalsContact O-N 3.11Å; L532-R535 PolarHBondContact O-N 3.27Å; L533-R535 PolarHBondContact O-N 3.4Å; R535-M537 PolarHBondContact O-N 3.35Å; R535-V538 PolarHBondContact O-N 2.76Å; R535-I539 HydrophobicContact CG-CD1 3.73Å; R535-I539 HydrophobicContact CG-CG1 4.42Å; R535-I539 VanDerWaalsContact O-CG1 3.27Å; R535-I539 WeakPolarHBondContact O-CG1 3.26Å; R535-I539 PolarHBondContact O-N 3.34Å
536	K	97.6	Very high	97.3	Very high	133 Å²	133	51.3 Å²	51.3	58%	0.578	25%	0.254	S	S	*	.	H	α-helix	trans	-59.4	-45.1	178.3	-176.2	173.8	-177.8	169.7	0	112.1	L532 L533 F534 A540	L532-K536 PolarHBondContact O-N 3.05Å; L533-K536 PolarHBondContact O-N 2.92Å; F534-K536 VanDerWaalsContact C-N 3.34Å; F534-K536 PolarHBondContact O-N 3.46Å; K536-A540 PolarHBondContact O-N 3.02Å
537	M	98.4	Very high	97.1	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-65.9	-48.9	179.1	-64.7	-171.9	-67.2	0	0	111.6	L461 E462 A465 L533 F534 R535 I539 A540 L541 Y577 M581	L461-M537 HydrophobicContact CB-CE 4.4Å; L461-M537 HydrophobicContact CD2-CE 3.86Å; L461-M537 HydrophobicContact CG-CE 3.72Å; E462-M537 HydrophobicContact CB-SD 4.3Å; E462-M537 HydrophobicContact CG-CE 4.21Å; E462-M537 HydrophobicContact CG-SD 3.46Å; E462-M537 WeakPolarHBondContact CG-SD 3.26Å; A465-M537 HydrophobicContact CB-CB 4.02Å; A465-M537 HydrophobicContact CB-CE 3.7Å; A465-M537 HydrophobicContact CB-SD 4.43Å; L533-M537 HydrophobicContact CD1-CG 4.42Å; L533-M537 HydrophobicContact CG-CE 4.13Å; L533-M537 HydrophobicContact CG-SD 4.4Å; L533-M537 VanDerWaalsContact O-CG 3.31Å; L533-M537 WeakPolarHBondContact O-CG 3.1Å; L533-M537 PolarHBondContact O-N 3.16Å; F534-M537 PolarHBondContact O-N 3.37Å; R535-M537 PolarHBondContact O-N 3.35Å; M537-I539 VanDerWaalsContact C-N 3.33Å; M537-I539 PolarHBondContact O-N 3.44Å; M537-A540 PolarHBondContact O-N 2.72Å; M537-L541 WeakPolarHBondContact O-CB 3.3Å; M537-L541 WeakPolarHBondContact O-CG 3.29Å; M537-L541 PolarHBondContact O-N 3.23Å; M537-Y577 HydrophobicContact CG-CE2 4.17Å; M537-Y577 WeakPolarHBondContact CG-OH 3.42Å; M537-Y577 HydrophobicContact SD-CE2 4.32Å; M537-M581 HydrophobicContact CB-CE 4.2Å; M537-M581 HydrophobicContact CB-SD 4.01Å; M537-M581 HydrophobicContact CG-CE 4.35Å; M537-M581 HydrophobicContact CG-SD 3.58Å; M537-M581 VanDerWaalsContact CG-SD 3.58Å; M537-M581 HydrophobicContact SD-SD 4.1Å
538	V	98.7	Very high	96.8	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62	-39.9	-178	172.2	0	0	0	0	111.9	A465 F468 A469 I472 L507 F511 F534 R535 L541 V542	A465-V538 HydrophobicContact CB-CG2 4.05Å; F468-V538 HydrophobicContact CD1-CG1 4.04Å; F468-V538 HydrophobicContact CD1-CG2 4.02Å; F468-V538 HydrophobicContact CE1-CG1 4.26Å; A469-V538 HydrophobicContact CB-CG1 4.39Å; I472-V538 HydrophobicContact CD1-CG1 3.9Å; L507-V538 HydrophobicContact CD2-CG1 4.04Å; F511-V538 HydrophobicContact CE2-CG1 4.06Å; F511-V538 HydrophobicContact CZ-CB 4Å; F511-V538 HydrophobicContact CZ-CG1 3.85Å; F534-V538 HydrophobicContact CD2-CG2 3.96Å; F534-V538 HydrophobicContact CE1-CG2 4.25Å; F534-V538 HydrophobicContact CE2-CG2 3.56Å; F534-V538 HydrophobicContact CG-CG2 4.47Å; F534-V538 HydrophobicContact CZ-CG2 3.72Å; F534-V538 WeakPolarHBondContact O-CG2 3.31Å; F534-V538 PolarHBondContact O-N 3.42Å; R535-V538 PolarHBondContact O-N 2.76Å; V538-L541 PolarHBondContact O-N 3.48Å; V538-V542 HydrophobicContact CG1-CG2 4.4Å; V538-V542 WeakPolarHBondContact O-CG2 3.3Å; V538-V542 PolarHBondContact O-N 2.92Å
539	I	98.6	Very high	96.6	Very high	47 Å²	47	51.3 Å²	51.3	24%	0.241	26%	0.255	C	S	.	.	H	α-helix	trans	-58.7	-52.7	174.8	-70.5	168.9	0	0	0	110.5	L507 F511 R535 M537 L541 V542 L543	L507-I539 HydrophobicContact CD1-CB 4.33Å; L507-I539 HydrophobicContact CD1-CG1 4.31Å; L507-I539 HydrophobicContact CD1-CG2 4.15Å; L507-I539 HydrophobicContact CD2-CG1 4.14Å; F511-I539 HydrophobicContact CE2-CG1 3.96Å; R535-I539 HydrophobicContact CG-CD1 3.73Å; R535-I539 HydrophobicContact CG-CG1 4.42Å; R535-I539 VanDerWaalsContact O-CG1 3.27Å; R535-I539 WeakPolarHBondContact O-CG1 3.26Å; R535-I539 PolarHBondContact O-N 3.34Å; M537-I539 VanDerWaalsContact C-N 3.33Å; M537-I539 PolarHBondContact O-N 3.44Å; I539-L541 VanDerWaalsContact C-N 3.29Å; I539-L541 PolarHBondContact O-N 2.88Å; I539-V542 PolarHBondContact O-N 2.82Å; I539-L543 HydrophobicContact CG2-CD1 3.67Å; I539-L543 HydrophobicContact CG2-CG 4.26Å; I539-L543 VanDerWaalsContact O-CB 3.31Å; I539-L543 WeakPolarHBondContact O-CB 3.31Å; I539-L543 VanDerWaalsContact O-CG 3.29Å; I539-L543 WeakPolarHBondContact O-CG 3.43Å; I539-L543 PolarHBondContact O-N 3.29Å
540	A	98.2	Very high	96.5	Very high	28 Å²	28	44.1 Å²	44.1	23%	0.231	22%	0.221	C	C	.	.	H	α-helix	trans	-59.5	-40.7	-179.7	0	0	0	0	0	112.3	K536 M537 S544 M581	K536-A540 PolarHBondContact O-N 3.02Å; M537-A540 PolarHBondContact O-N 2.72Å; A540-S544 WeakPolarHBondContact O-CB 3.17Å; A540-S544 PolarHBondContact O-N 3.39Å; A540-M581 HydrophobicContact CB-CE 3.77Å
541	L	98.7	Very high	96.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-66.3	-48.2	-179.8	-67.6	168.4	0	0	0	113	I466 A469 M537 V538 I539 S544 M581 L584 E585 I588	I466-L541 HydrophobicContact CB-CD1 3.92Å; I466-L541 HydrophobicContact CG1-CD1 4.15Å; I466-L541 HydrophobicContact CG1-CD2 4.42Å; A469-L541 HydrophobicContact CB-CB 3.78Å; A469-L541 HydrophobicContact CB-CD1 4.07Å; M537-L541 WeakPolarHBondContact O-CB 3.3Å; M537-L541 WeakPolarHBondContact O-CG 3.29Å; M537-L541 PolarHBondContact O-N 3.23Å; V538-L541 PolarHBondContact O-N 3.48Å; I539-L541 VanDerWaalsContact C-N 3.29Å; I539-L541 PolarHBondContact O-N 2.88Å; L541-S544 PolarHBondContact O-N 3.48Å; L541-S544 PolarHBondContact O-OG 3.41Å; L541-M581 HydrophobicContact CD2-CE 4.27Å; L541-M581 HydrophobicContact CG-CE 4.16Å; L541-L584 VanDerWaalsContact CD2-C 3.44Å; L541-L584 HydrophobicContact CD2-CB 3.59Å; L541-E585 HydrophobicContact CD2-CG 4.1Å; L541-I588 HydrophobicContact CB-CD1 4.3Å; L541-I588 HydrophobicContact CB-CG2 4.34Å; L541-I588 HydrophobicContact CD2-CG2 4.05Å
542	V	98.8	Very high	96	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-69.9	-40	178.9	178.3	0	0	0	0	110.6	A469 I472 H473 E503 H506 L507 V538 I539 S544 T545	A469-V542 HydrophobicContact CB-CG2 4.05Å; I472-V542 HydrophobicContact CD1-CG2 4.09Å; I472-V542 HydrophobicContact CG1-CG2 4.14Å; H473-V542 HydrophobicContact CB-CG1 4.39Å; H473-V542 HydrophobicContact CB-CG2 4.4Å; E503-V542 HydrophobicContact CB-CG1 4.37Å; H506-V542 HydrophobicContact CB-CG1 4.26Å; L507-V542 HydrophobicContact CD1-CB 4.11Å; L507-V542 HydrophobicContact CD1-CG1 4.31Å; L507-V542 HydrophobicContact CD2-CB 3.76Å; L507-V542 HydrophobicContact CD2-CG1 4.28Å; L507-V542 HydrophobicContact CD2-CG2 3.81Å; L507-V542 HydrophobicContact CG-CB 3.81Å; L507-V542 HydrophobicContact CG-CG1 3.85Å; L507-V542 HydrophobicContact CG-CG2 4.31Å; V538-V542 HydrophobicContact CG1-CG2 4.4Å; V538-V542 WeakPolarHBondContact O-CG2 3.3Å; V538-V542 PolarHBondContact O-N 2.92Å; I539-V542 PolarHBondContact O-N 2.82Å; V542-S544 PolarHBondContact O-N 3.32Å; V542-S544 VanDerWaalsContact O-N 3.14Å; V542-T545 PolarHBondContact O-N 2.96Å; V542-T545 VanDerWaalsContact O-N 3.09Å; V542-T545 PolarHBondContact O-OG1 2.91Å
543	L	98.3	Very high	95.8	Very high	16 Å²	16	40.2 Å²	40.2	8%	0.084	21%	0.21	C	C	.	.	H	α-helix	trans	-62.8	-22	174.7	-72	-178.4	0	0	0	113.1	E503 L507 I539 T545 K549	E503-L543 HydrophobicContact CB-CD2 3.99Å; L507-L543 HydrophobicContact CD1-CD2 4Å; L507-L543 HydrophobicContact CD1-CG 3.83Å; I539-L543 HydrophobicContact CG2-CD1 3.67Å; I539-L543 HydrophobicContact CG2-CG 4.26Å; I539-L543 VanDerWaalsContact O-CB 3.31Å; I539-L543 WeakPolarHBondContact O-CB 3.31Å; I539-L543 VanDerWaalsContact O-CG 3.29Å; I539-L543 WeakPolarHBondContact O-CG 3.43Å; I539-L543 PolarHBondContact O-N 3.29Å; L543-T545 VanDerWaalsContact C-N 3.34Å; L543-K549 VanDerWaalsContact O-CD 3.3Å; L543-K549 WeakPolarHBondContact O-CD 3.23Å; L543-K549 WeakPolarHBondContact O-CE 3.45Å; L543-K549 PolarHBondContact O-NZ 3.25Å
544	S	98	Very high	95.6	Very high	5 Å²	5	37.5 Å²	37.5	4%	0.035	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-10.5	177.1	75.1	0	0	0	0	114.3	A540 L541 V542 D546 L553 H589	A540-S544 WeakPolarHBondContact O-CB 3.17Å; A540-S544 PolarHBondContact O-N 3.39Å; L541-S544 PolarHBondContact O-N 3.48Å; L541-S544 PolarHBondContact O-OG 3.41Å; V542-S544 PolarHBondContact O-N 3.32Å; V542-S544 VanDerWaalsContact O-N 3.14Å; S544-D546 VanDerWaalsContact C-N 3.29Å; S544-L553 WeakPolarHBondContact O-CD1 3.37Å; S544-H589 PolarHBondContact O-ND1 3.4Å
545	T	98.3	Very high	95.2	Very high	5 Å²	5	39.9 Å²	39.9	3%	0.031	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-13.5	174.8	65.5	0	0	0	0	112.5	H473 V542 L543 M547 I588	H473-T545 HydrophobicContact CB-CG2 4.32Å; V542-T545 PolarHBondContact O-N 2.96Å; V542-T545 VanDerWaalsContact O-N 3.09Å; V542-T545 PolarHBondContact O-OG1 2.91Å; L543-T545 VanDerWaalsContact C-N 3.34Å; T545-M547 PolarHBondContact O-N 3.49Å; T545-M547 VanDerWaalsContact O-N 3.1Å; T545-I588 HydrophobicContact CG2-CD1 4.27Å; T545-I588 HydrophobicContact CG2-CG1 4.08Å; T545-I588 HydrophobicContact CG2-CG2 4.4Å
546	D	97.1	Very high	94.8	Very high	12 Å²	12	37.1 Å²	37.1	6%	0.064	21%	0.209	C	C	.	.			trans	-57.1	117	172.3	-176.3	-19.4	0	0	0	110.4	S500 E503 S544 S548 K549	S500-D546 WeakPolarHBondContact CA-OD2 3.34Å; S500-D546 WeakPolarHBondContact CB-OD2 3.36Å; S500-D546 PolarHBondContact OG-OD2 3.3Å; E503-D546 HydrophobicContact CG-CB 3.92Å; E503-D546 WeakPolarHBondContact OE1-CA 3.2Å; S544-D546 VanDerWaalsContact C-N 3.29Å; D546-S548 PolarHBondContact O-N 2.88Å; D546-S548 VanDerWaalsContact O-N 3.08Å; D546-S548 VanDerWaalsContact OD1-CB 3.27Å; D546-S548 WeakPolarHBondContact OD1-CB 3.37Å; D546-S548 PolarHBondContact OD1-N 3.49Å; D546-S548 PolarHBondContact OD1-OG 3.45Å; D546-S548 PolarHBondContact OD2-OG 3.01Å; D546-S548 VanDerWaalsContact OD2-OG 3.04Å; D546-K549 HydrophobicContact CB-CD 4.39Å; D546-K549 HydrophobicContact CB-CG 4.42Å; D546-K549 WeakPolarHBondContact O-CB 3.34Å; D546-K549 PolarHBondContact O-N 3.29Å
547	M	92.1	Very high	94.4	Very high	76 Å²	76	30.8 Å²	30.8	37%	0.374	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-60.5	-21.4	-177.4	-74	-58.7	-61.4	0	0	113.9	T545 K549 H550 H589 L593 I650	T545-M547 PolarHBondContact O-N 3.49Å; T545-M547 VanDerWaalsContact O-N 3.1Å; M547-K549 PolarHBondContact O-N 2.87Å; M547-H550 HydrophobicContact CE-CB 4.32Å; M547-H550 VanDerWaalsContact O-CB 3.29Å; M547-H550 WeakPolarHBondContact O-CB 3.47Å; M547-H550 PolarHBondContact O-N 3.41Å; M547-H589 VanDerWaalsContact SD-CE1 3.59Å; M547-L593 HydrophobicContact CE-CD1 4.14Å; M547-L593 HydrophobicContact CE-CD2 4.12Å; M547-L593 HydrophobicContact SD-CD1 4.01Å; M547-L593 HydrophobicContact SD-CD2 3.8Å; M547-L593 HydrophobicContact SD-CG 4.31Å; M547-I650 HydrophobicContact CE-CD1 4.19Å; M547-I650 HydrophobicContact CE-CG2 3.8Å
548	S	90.6	Very high	94	Very high	93 Å²	93	34.1 Å²	34.1	65%	0.65	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-63	-24	172.8	72.2	0	0	0	0	112.8	D546	D546-S548 PolarHBondContact O-N 2.88Å; D546-S548 VanDerWaalsContact O-N 3.08Å; D546-S548 VanDerWaalsContact OD1-CB 3.27Å; D546-S548 WeakPolarHBondContact OD1-CB 3.37Å; D546-S548 PolarHBondContact OD1-N 3.49Å; D546-S548 PolarHBondContact OD1-OG 3.45Å; D546-S548 PolarHBondContact OD2-OG 3.01Å; D546-S548 VanDerWaalsContact OD2-OG 3.04Å
549	K	90.1	Very high	93.5	Very high	59 Å²	59	37 Å²	37	26%	0.257	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-90.7	-7.5	-180	-59	-178.2	-170.3	165.8	0	113.6	S500 L543 D546 M547 M551 S552 L553	S500-K549 PolarHBondContact OG-NZ 2.88Å; L543-K549 VanDerWaalsContact O-CD 3.3Å; L543-K549 WeakPolarHBondContact O-CD 3.23Å; L543-K549 WeakPolarHBondContact O-CE 3.45Å; L543-K549 PolarHBondContact O-NZ 3.25Å; D546-K549 HydrophobicContact CB-CD 4.39Å; D546-K549 HydrophobicContact CB-CG 4.42Å; D546-K549 WeakPolarHBondContact O-CB 3.34Å; D546-K549 PolarHBondContact O-N 3.29Å; M547-K549 PolarHBondContact O-N 2.87Å; K549-M551 VanDerWaalsContact C-N 3.31Å; K549-M551 PolarHBondContact O-N 3.21Å; K549-M551 VanDerWaalsContact O-N 3.16Å; K549-S552 WeakPolarHBondContact O-CB 3.31Å; K549-S552 PolarHBondContact O-N 3.41Å; K549-L553 HydrophobicContact CB-CD1 4.39Å; K549-L553 PolarHBondContact O-N 3.11Å
550	H	92.6	Very high	92.8	Very high	4 Å²	4	35.5 Å²	35.5	2%	0.019	21%	0.208	C	C	.	.	H	α-helix	trans	-49.8	-46.4	-174.9	174.3	97.2	0	0	0	113.3	M547 S552 L553 L554 H589 I650	M547-H550 HydrophobicContact CE-CB 4.32Å; M547-H550 VanDerWaalsContact O-CB 3.29Å; M547-H550 WeakPolarHBondContact O-CB 3.47Å; M547-H550 PolarHBondContact O-N 3.41Å; H550-S552 VanDerWaalsContact C-N 3.35Å; H550-S552 PolarHBondContact O-N 3.35Å; H550-L553 PolarHBondContact O-N 3.39Å; H550-L554 WeakPolarHBondContact O-CB 3.46Å; H550-L554 PolarHBondContact O-N 3.13Å; H550-H589 AromaticContact CG-NE2 3.63Å; H550-H589 AromaticContact ND1-CD2 3.87Å; H550-H589 AromaticContact ND1-NE2 3.13Å; H550-H589 PolarHBondContact ND1-NE2 3Å; H550-H589 VanDerWaalsContact ND1-NE2 3.13Å; H550-I650 VanDerWaalsContact CE1-CG2 3.44Å; H550-I650 WeakPolarHBondContact CE1-CG2 3.37Å; H550-I650 PolarHBondContact CE1-O 3.47Å
551	M	90.4	Very high	92.2	Very high	96 Å²	96	34.3 Å²	34.3	47%	0.473	20%	0.198	S	C	.	.	H	α-helix	trans	-68.9	-33.6	-177	-65.4	-59.6	155.6	0	0	112.7	K549 A555	K549-M551 VanDerWaalsContact C-N 3.31Å; K549-M551 PolarHBondContact O-N 3.21Å; K549-M551 VanDerWaalsContact O-N 3.16Å; M551-A555 WeakPolarHBondContact O-CB 3.5Å; M551-A555 PolarHBondContact O-N 3.36Å
552	S	90.6	Very high	91.5	Very high	72 Å²	72	39.6 Å²	39.6	50%	0.503	22%	0.223	S	C	.	.	H	α-helix	trans	-65.2	-50.7	173.9	-174.6	0	0	0	0	110.7	K549 H550 L554 A555 D556	K549-S552 WeakPolarHBondContact O-CB 3.31Å; K549-S552 PolarHBondContact O-N 3.41Å; H550-S552 VanDerWaalsContact C-N 3.35Å; H550-S552 PolarHBondContact O-N 3.35Å; S552-L554 VanDerWaalsContact C-N 3.33Å; S552-L554 PolarHBondContact O-N 3.49Å; S552-A555 PolarHBondContact O-N 2.83Å; S552-A555 VanDerWaalsContact O-N 3.17Å; S552-D556 PolarHBondContact O-N 2.93Å
553	L	93	Very high	90.6	Very high	13 Å²	13	45.5 Å²	45.5	7%	0.068	25%	0.248	C	C	.	.	H	α-helix	trans	-59.1	-44.1	178.4	-68.1	169.7	0	0	0	111.7	S544 K549 H550 A555 D556 L557 E585 H589	S544-L553 WeakPolarHBondContact O-CD1 3.37Å; K549-L553 HydrophobicContact CB-CD1 4.39Å; K549-L553 PolarHBondContact O-N 3.11Å; H550-L553 PolarHBondContact O-N 3.39Å; L553-A555 VanDerWaalsContact C-N 3.35Å; L553-A555 PolarHBondContact O-N 2.89Å; L553-D556 PolarHBondContact O-N 3.29Å; L553-L557 VanDerWaalsContact O-CB 3.32Å; L553-L557 WeakPolarHBondContact O-CB 3.46Å; L553-L557 PolarHBondContact O-N 2.98Å; L553-E585 HydrophobicContact CD2-CB 3.95Å; L553-H589 HydrophobicContact CD1-CB 4.18Å
554	L	92.6	Very high	89.4	Confident	11 Å²	11	46.2 Å²	46.2	6%	0.058	25%	0.251	C	S	.	.	H	α-helix	trans	-63.6	-38.6	177.4	-177.3	57.4	0	0	0	112.4	H550 S552 K558 P653 L654	H550-L554 WeakPolarHBondContact O-CB 3.46Å; H550-L554 PolarHBondContact O-N 3.13Å; S552-L554 VanDerWaalsContact C-N 3.33Å; S552-L554 PolarHBondContact O-N 3.49Å; L554-K558 HydrophobicContact CD1-CG 4.46Å; L554-K558 HydrophobicContact CG-CD 4.39Å; L554-K558 WeakPolarHBondContact O-CB 3.3Å; L554-K558 WeakPolarHBondContact O-CG 3.37Å; L554-K558 PolarHBondContact O-N 3.19Å; L554-P653 HydrophobicContact CD2-CB 4.01Å; L554-L654 HydrophobicContact CD1-CD1 4.41Å
555	A	89.7	Confident	88.4	Confident	51 Å²	51	51.6 Å²	51.6	42%	0.421	27%	0.274	S	S	.	.	H	α-helix	trans	-66.7	-42	177	0	0	0	0	0	112	M551 S552 L553 K558 T559	M551-A555 WeakPolarHBondContact O-CB 3.5Å; M551-A555 PolarHBondContact O-N 3.36Å; S552-A555 PolarHBondContact O-N 2.83Å; S552-A555 VanDerWaalsContact O-N 3.17Å; L553-A555 VanDerWaalsContact C-N 3.35Å; L553-A555 PolarHBondContact O-N 2.89Å; A555-K558 PolarHBondContact O-N 3.01Å; A555-T559 WeakPolarHBondContact O-CB 3.26Å; A555-T559 PolarHBondContact O-N 3Å; A555-T559 PolarHBondContact O-OG1 3.02Å
556	D	87.9	Confident	87	Confident	58 Å²	58	55 Å²	55	31%	0.31	30%	0.303	S	S	.	.	H	α-helix	trans	-66.3	-40.5	176.2	-79.3	-8.5	0	0	0	111.9	S552 L553 T559 S560 Q582	S552-D556 PolarHBondContact O-N 2.93Å; L553-D556 PolarHBondContact O-N 3.29Å; D556-T559 PolarHBondContact O-N 2.87Å; D556-S560 WeakPolarHBondContact O-CB 3.44Å; D556-S560 PolarHBondContact O-N 3.2Å; D556-S560 PolarHBondContact O-OG 3.04Å; D556-Q582 PolarHBondContact OD2-NE2 3.3Å
557	L	90.2	Very high	85.6	Confident	1 Å²	1	61.9 Å²	61.9	1%	0.005	33%	0.332	C	S	.	.	H	α-helix	trans	-61.8	-49.2	174.7	-174.4	62.7	0	0	0	111.4	L553 T559 S560 V561 I583 C586 L654 T657 M658 L661	L553-L557 VanDerWaalsContact O-CB 3.32Å; L553-L557 WeakPolarHBondContact O-CB 3.46Å; L553-L557 PolarHBondContact O-N 2.98Å; L557-T559 VanDerWaalsContact C-N 3.31Å; L557-T559 PolarHBondContact O-N 2.99Å; L557-S560 WeakPolarHBondContact O-CB 3.18Å; L557-S560 PolarHBondContact O-N 3.47Å; L557-S560 VanDerWaalsContact O-N 3.09Å; L557-V561 WeakPolarHBondContact O-CG2 3.42Å; L557-V561 PolarHBondContact O-N 3.37Å; L557-I583 HydrophobicContact CD1-CD1 4.16Å; L557-C586 HydrophobicContact CD1-CB 4.04Å; L557-C586 HydrophobicContact CD2-CB 4.43Å; L557-L654 HydrophobicContact CD2-CD1 4.08Å; L557-T657 HydrophobicContact CB-CG2 4.27Å; L557-T657 HydrophobicContact CD2-CG2 3.76Å; L557-T657 HydrophobicContact CG-CG2 3.63Å; L557-M658 HydrophobicContact CD1-SD 4.04Å; L557-M658 HydrophobicContact CD2-CG 3.84Å; L557-M658 HydrophobicContact CD2-SD 3.64Å; L557-L661 HydrophobicContact CD1-CD2 3.68Å
558	K	90.5	Very high	84	Confident	69 Å²	69	67.4 Å²	67.4	30%	0.3	36%	0.357	S	S	.	.	H	α-helix	trans	-57.7	-44.3	176.5	-77.8	176	178.4	171.4	0	111.4	L554 A555 S560 V561 E562 T657	L554-K558 HydrophobicContact CD1-CG 4.46Å; L554-K558 HydrophobicContact CG-CD 4.39Å; L554-K558 WeakPolarHBondContact O-CB 3.3Å; L554-K558 WeakPolarHBondContact O-CG 3.37Å; L554-K558 PolarHBondContact O-N 3.19Å; A555-K558 PolarHBondContact O-N 3.01Å; K558-S560 VanDerWaalsContact C-N 3.3Å; K558-S560 PolarHBondContact O-N 2.97Å; K558-V561 PolarHBondContact O-N 3.45Å; K558-E562 WeakPolarHBondContact O-CG 3.45Å; K558-E562 PolarHBondContact O-N 3.41Å; K558-T657 HydrophobicContact CB-CG2 4.34Å; K558-T657 HydrophobicContact CG-CG2 3.59Å
559	T	87.5	Confident	82.3	Confident	60 Å²	60	64.6 Å²	64.6	37%	0.368	34%	0.343	S	S	.	.	H	α-helix	trans	-60.9	-40.2	176.1	-59.9	0	0	0	0	111.7	A555 D556 L557 E562 K563	A555-T559 WeakPolarHBondContact O-CB 3.26Å; A555-T559 PolarHBondContact O-N 3Å; A555-T559 PolarHBondContact O-OG1 3.02Å; D556-T559 PolarHBondContact O-N 2.87Å; L557-T559 VanDerWaalsContact C-N 3.31Å; L557-T559 PolarHBondContact O-N 2.99Å; T559-E562 PolarHBondContact O-N 3.05Å; T559-K563 HydrophobicContact CG2-CD 4.37Å; T559-K563 WeakPolarHBondContact O-CG 3.43Å; T559-K563 PolarHBondContact O-N 3.11Å
560	S	83.2	Confident	80.6	Confident	16 Å²	16	70.2 Å²	70.2	11%	0.112	38%	0.376	C	S	.	.	H	α-helix	trans	-65.7	-41.8	177.7	-62.7	0	0	0	0	112.2	D556 L557 K558 K563 Q564	D556-S560 WeakPolarHBondContact O-CB 3.44Å; D556-S560 PolarHBondContact O-N 3.2Å; D556-S560 PolarHBondContact O-OG 3.04Å; L557-S560 WeakPolarHBondContact O-CB 3.18Å; L557-S560 PolarHBondContact O-N 3.47Å; L557-S560 VanDerWaalsContact O-N 3.09Å; K558-S560 VanDerWaalsContact C-N 3.3Å; K558-S560 PolarHBondContact O-N 2.97Å; S560-K563 PolarHBondContact O-N 3.32Å; S560-Q564 WeakPolarHBondContact O-CG 3.32Å; S560-Q564 PolarHBondContact O-N 3.28Å; S560-Q564 VanDerWaalsContact O-N 3.08Å
561	V	85.4	Confident	79	Confident	4 Å²	4	75.6 Å²	75.6	2%	0.024	41%	0.409	C	S	.	.	H	α-helix	trans	-65.1	-43.5	174.9	173	0	0	0	0	111.6	L557 K558 K563 Q564 K565 T657 E660 L661	L557-V561 WeakPolarHBondContact O-CG2 3.42Å; L557-V561 PolarHBondContact O-N 3.37Å; K558-V561 PolarHBondContact O-N 3.45Å; V561-K563 VanDerWaalsContact C-N 3.35Å; V561-K563 PolarHBondContact O-N 3.03Å; V561-Q564 PolarHBondContact O-N 2.91Å; V561-K565 HydrophobicContact CG1-CD 4.21Å; V561-K565 WeakPolarHBondContact O-CG 3.38Å; V561-K565 PolarHBondContact O-N 3.31Å; V561-T657 HydrophobicContact CG2-CG2 4.11Å; V561-E660 HydrophobicContact CG1-CB 3.9Å; V561-E660 WeakPolarHBondContact CG1-OE2 3.25Å; V561-L661 HydrophobicContact CG2-CB 3.74Å; V561-L661 HydrophobicContact CG2-CD1 4.26Å
562	E	84.8	Confident	77.7	Confident	111 Å²	111	71.8 Å²	71.8	52%	0.519	39%	0.39	S	S	.	.	H	α-helix	trans	-62.1	-41.5	177	-73.8	-172	160.6	0	0	112	R25 K558 T559 K565 A566	R25-E562 IonicContact NH2-OE1 3.44Å; R25-E562 PolarHBondContact NH2-OE1 3.31Å; K558-E562 WeakPolarHBondContact O-CG 3.45Å; K558-E562 PolarHBondContact O-N 3.41Å; T559-E562 PolarHBondContact O-N 3.05Å; E562-K565 PolarHBondContact O-N 3.34Å; E562-A566 PolarHBondContact O-N 3.34Å; E562-A566 VanDerWaalsContact O-N 3.13Å
563	K	79.7	Confident	76.4	Confident	123 Å²	123	72.4 Å²	72.4	54%	0.535	39%	0.388	S	S	.	.	H	α-helix	trans	-59.2	-46.7	173.6	-75.7	171.6	-177.9	170.2	0	111.3	T559 S560 V561 A566 F567	T559-K563 HydrophobicContact CG2-CD 4.37Å; T559-K563 WeakPolarHBondContact O-CG 3.43Å; T559-K563 PolarHBondContact O-N 3.11Å; S560-K563 PolarHBondContact O-N 3.32Å; V561-K563 VanDerWaalsContact C-N 3.35Å; V561-K563 PolarHBondContact O-N 3.03Å; K563-A566 WeakPolarHBondContact O-CB 3.47Å; K563-A566 PolarHBondContact O-N 3.48Å; K563-F567 WeakPolarHBondContact O-CD2 3.33Å; K563-F567 PolarHBondContact O-N 3.34Å
564	Q	74.1	Confident	75.5	Confident	31 Å²	31	72.3 Å²	72.3	15%	0.145	39%	0.387	C	S	.	.	H	α-helix	trans	-62.5	-44.5	179.5	-71.6	167.9	30.8	0	0	112.6	S560 V561 A566 F567 I572	S560-Q564 WeakPolarHBondContact O-CG 3.32Å; S560-Q564 PolarHBondContact O-N 3.28Å; S560-Q564 VanDerWaalsContact O-N 3.08Å; V561-Q564 PolarHBondContact O-N 2.91Å; Q564-A566 PolarHBondContact O-N 2.82Å; Q564-F567 PolarHBondContact O-N 3.47Å; Q564-F567 VanDerWaalsContact O-N 3.11Å; Q564-I572 VanDerWaalsContact NE2-CG2 3.27Å
565	K	75.1	Confident	74.6	Confident	118 Å²	118	77.8 Å²	77.8	51%	0.513	42%	0.417	S	S	.	.	H	α-helix	trans	-58.6	-35.2	175.9	-72	176.7	-176	171.1	0	111.9	V561 E562 F567 Q568 E660	V561-K565 HydrophobicContact CG1-CD 4.21Å; V561-K565 WeakPolarHBondContact O-CG 3.38Å; V561-K565 PolarHBondContact O-N 3.31Å; E562-K565 PolarHBondContact O-N 3.34Å; K565-F567 VanDerWaalsContact C-N 3.33Å; K565-F567 PolarHBondContact O-N 3.38Å; K565-Q568 PolarHBondContact O-N 3Å; K565-E660 IonicContact NZ-OE1 3.24Å; K565-E660 PolarHBondContact NZ-OE1 3.18Å; K565-E660 IonicContact NZ-OE2 2.66Å; K565-E660 PolarHBondContact NZ-OE2 3.33Å
566	A	70.5	Confident	74.2	Confident	78 Å²	78	78.2 Å²	78.2	65%	0.645	42%	0.416	S	S	*	.	H	α-helix	trans	-67.6	-28.9	178.5	0	0	0	0	0	113.6	E562 K563 Q564 Q568	E562-A566 PolarHBondContact O-N 3.34Å; E562-A566 VanDerWaalsContact O-N 3.13Å; K563-A566 WeakPolarHBondContact O-CB 3.47Å; K563-A566 PolarHBondContact O-N 3.48Å; Q564-A566 PolarHBondContact O-N 2.82Å; A566-Q568 VanDerWaalsContact C-N 3.25Å; A566-Q568 PolarHBondContact O-N 2.87Å
567	F	66.6	Low	74.2	Confident	155 Å²	155	78.4 Å²	78.4	68%	0.68	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	1.2	-179.3	-76.5	-73.5	0	0	0	114.6	K563 Q564 K565 G569	K563-F567 WeakPolarHBondContact O-CD2 3.33Å; K563-F567 PolarHBondContact O-N 3.34Å; Q564-F567 PolarHBondContact O-N 3.47Å; Q564-F567 VanDerWaalsContact O-N 3.11Å; K565-F567 VanDerWaalsContact C-N 3.33Å; K565-F567 PolarHBondContact O-N 3.38Å; F567-G569 PolarHBondContact O-N 3.42Å
568	Q	58	Low	74.1	Confident	192 Å²	192	81.8 Å²	81.8	90%	0.897	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.5	23.9	179.2	-67.2	-170.5	-2.6	0	0	115	K565 A566	K565-Q568 PolarHBondContact O-N 3Å; A566-Q568 VanDerWaalsContact C-N 3.25Å; A566-Q568 PolarHBondContact O-N 2.87Å
569	G	56.1	Low	73.9	Confident	34 Å²	34	79.4 Å²	79.4	35%	0.351	43%	0.43	S	S	.	.	S	Bend	trans	-131.1	136.4	177.5	0	0	0	0	0	109.5	F567 V571	F567-G569 PolarHBondContact O-N 3.42Å; G569-V571 PolarHBondContact O-N 2.95Å
570	N	54.4	Low	74	Confident	177 Å²	177	78.8 Å²	78.8	95%	0.947	42%	0.421	S	S	*	.	S	Bend	trans	-67.7	18.6	173.9	-71.3	-8	0	0	0	113.2
571	V	58.3	Low	74.6	Confident	117 Å²	117	78.4 Å²	78.4	71%	0.709	42%	0.418	S	S	*	.			trans	-102.5	111.4	-178.2	-175	0	0	0	0	107.5	G569 N573	G569-V571 PolarHBondContact O-N 2.95Å; V571-N573 PolarHBondContact O-N 3.1Å
572	I	63.9	Low	74.9	Confident	16 Å²	16	80.5 Å²	80.5	8%	0.082	43%	0.427	C	S	.	.			trans	-64	105.2	170.9	-51.8	-177.5	0	0	0	106.8	L454 I457 Q564 L574 L661 L662	L454-I572 HydrophobicContact CD2-CD1 4.18Å; I457-I572 HydrophobicContact CD1-CB 4.33Å; Q564-I572 VanDerWaalsContact NE2-CG2 3.27Å; I572-L574 HydrophobicContact CB-CD1 4.42Å; I572-L574 HydrophobicContact CB-CG 4.3Å; I572-L574 HydrophobicContact CG2-CD1 3.55Å; I572-L574 HydrophobicContact CG2-CD2 3.73Å; I572-L574 HydrophobicContact CG2-CG 3.38Å; I572-L574 PolarHBondContact O-N 3.43Å; I572-L661 HydrophobicContact CD1-CD1 4.02Å; I572-L661 HydrophobicContact CD1-CG 4.5Å; I572-L661 HydrophobicContact CG2-CD1 4.43Å; I572-L662 HydrophobicContact CD1-CD2 4.38Å
573	N	63.7	Low	75.2	Confident	85 Å²	85	75.3 Å²	75.3	46%	0.455	40%	0.403	S	S	.	.			trans	-72.5	100.5	173.9	-174.1	-40.1	0	0	0	108.5	V571 D575	V571-N573 PolarHBondContact O-N 3.1Å; N573-D575 VanDerWaalsContact CG-OD2 3.29Å; N573-D575 PolarHBondContact ND2-OD2 3.05Å; N573-D575 WeakPolarHBondContact OD1-CB 3.44Å; N573-D575 PolarHBondContact OD1-N 3.42Å; N573-D575 VanDerWaalsContact OD1-N 3.11Å; N573-D575 PolarHBondContact OD1-OD2 3.43Å
574	L	73.9	Confident	76	Confident	12 Å²	12	69.4 Å²	69.4	6%	0.063	38%	0.378	C	S	.	.			trans	-117	39.7	175.2	-61.3	179	0	0	0	110.7	I457 F458 I572 S576 A579 R580 I583	I457-L574 HydrophobicContact CD1-CD1 4.14Å; I457-L574 HydrophobicContact CG2-CB 3.94Å; I457-L574 HydrophobicContact CG2-CD1 3.62Å; I457-L574 HydrophobicContact CG2-CG 4.32Å; F458-L574 HydrophobicContact CZ-CD1 4.33Å; I572-L574 HydrophobicContact CB-CD1 4.42Å; I572-L574 HydrophobicContact CB-CG 4.3Å; I572-L574 HydrophobicContact CG2-CD1 3.55Å; I572-L574 HydrophobicContact CG2-CD2 3.73Å; I572-L574 HydrophobicContact CG2-CG 3.38Å; I572-L574 PolarHBondContact O-N 3.43Å; L574-S576 VanDerWaalsContact C-N 3.28Å; L574-S576 PolarHBondContact O-N 2.97Å; L574-A579 HydrophobicContact CD2-CB 3.96Å; L574-R580 HydrophobicContact CB-CG 3.68Å; L574-R580 VanDerWaalsContact O-CG 3.3Å; L574-R580 WeakPolarHBondContact O-CG 3.29Å; L574-R580 PolarHBondContact O-NH1 2.8Å; L574-I583 HydrophobicContact CD1-CG1 4.23Å; L574-I583 HydrophobicContact CD2-CG1 3.65Å
575	D	72.1	Confident	77.1	Confident	125 Å²	125	69.8 Å²	69.8	67%	0.668	38%	0.379	S	S	*	.			trans	-65.6	-35	-175.7	-64.1	-20.9	0	0	0	111.3	N573 R580	N573-D575 VanDerWaalsContact CG-OD2 3.29Å; N573-D575 PolarHBondContact ND2-OD2 3.05Å; N573-D575 WeakPolarHBondContact OD1-CB 3.44Å; N573-D575 PolarHBondContact OD1-N 3.42Å; N573-D575 VanDerWaalsContact OD1-N 3.11Å; N573-D575 PolarHBondContact OD1-OD2 3.43Å; D575-R580 PolarHBondContact O-NH1 3.11Å
576	S	83	Confident	78.1	Confident	60 Å²	60	64.3 Å²	64.3	42%	0.42	36%	0.356	S	S	.	.	S	Bend	trans	-87.2	146.8	-180	82.1	0	0	0	0	112.5	L574 S578 A579 R580	L574-S576 VanDerWaalsContact C-N 3.28Å; L574-S576 PolarHBondContact O-N 2.97Å; S576-S578 VanDerWaalsContact C-N 3.27Å; S576-S578 PolarHBondContact O-N 3.46Å; S576-A579 PolarHBondContact O-N 3.25Å; S576-A579 WeakPolarHBondContact OG-CB 3.32Å; S576-A579 PolarHBondContact OG-N 3.06Å; S576-A579 VanDerWaalsContact OG-N 3.08Å; S576-R580 PolarHBondContact O-N 3.47Å; S576-R580 VanDerWaalsContact O-N 3.13Å; S576-R580 PolarHBondContact O-NH1 2.9Å
577	Y	87.4	Confident	79.3	Confident	63 Å²	63	60.7 Å²	60.7	25%	0.247	33%	0.325	C	S	.	.	H	α-helix	trans	-56.7	-41.8	172.6	171.1	-95.6	0	0	0	112	L533 M537 A579 R580 M581	L533-Y577 HydrophobicContact CD1-CD2 4.45Å; L533-Y577 HydrophobicContact CD1-CE2 3.63Å; M537-Y577 HydrophobicContact CG-CE2 4.17Å; M537-Y577 WeakPolarHBondContact CG-OH 3.42Å; M537-Y577 HydrophobicContact SD-CE2 4.32Å; Y577-A579 PolarHBondContact O-N 2.99Å; Y577-R580 PolarHBondContact O-N 3.25Å; Y577-M581 HydrophobicContact CD1-CG 4.18Å; Y577-M581 HydrophobicContact CD2-CG 4.28Å; Y577-M581 HydrophobicContact CE1-CG 3.61Å; Y577-M581 HydrophobicContact CE2-CG 3.75Å; Y577-M581 HydrophobicContact CE2-SD 4.14Å; Y577-M581 HydrophobicContact CG-CG 4.49Å; Y577-M581 PolarHBondContact O-N 3.47Å
578	S	87.1	Confident	80.8	Confident	72 Å²	72	53.3 Å²	53.3	50%	0.503	29%	0.293	S	S	.	.	H	α-helix	trans	-61.6	-43.7	178.8	169.6	0	0	0	0	111.9	S576 R580 M581 Q582	S576-S578 VanDerWaalsContact C-N 3.27Å; S576-S578 PolarHBondContact O-N 3.46Å; S578-R580 PolarHBondContact O-N 2.76Å; S578-M581 PolarHBondContact O-N 2.88Å; S578-Q582 WeakPolarHBondContact O-CG 3.33Å; S578-Q582 PolarHBondContact O-N 3.3Å
579	A	86.8	Confident	82.7	Confident	19 Å²	19	44.2 Å²	44.2	16%	0.157	25%	0.251	C	S	.	.	H	α-helix	trans	-64.8	-40.2	177.1	0	0	0	0	0	111.8	L574 S576 Y577 I583	L574-A579 HydrophobicContact CD2-CB 3.96Å; S576-A579 PolarHBondContact O-N 3.25Å; S576-A579 WeakPolarHBondContact OG-CB 3.32Å; S576-A579 PolarHBondContact OG-N 3.06Å; S576-A579 VanDerWaalsContact OG-N 3.08Å; Y577-A579 PolarHBondContact O-N 2.99Å; A579-I583 WeakPolarHBondContact O-CG1 3.38Å; A579-I583 PolarHBondContact O-N 3.44Å
580	R	90.6	Very high	84.7	Confident	46 Å²	46	42.6 Å²	42.6	17%	0.174	23%	0.234	C	C	.	.	H	α-helix	trans	-62.9	-46.7	175	-73.6	-169.2	-50.8	-82.8	1.6	112.1	F458 E462 L574 D575 S576 Y577 S578 I583 L584	F458-R580 HydrophobicContact CD1-CB 4.32Å; F458-R580 HydrophobicContact CD1-CG 4.36Å; F458-R580 HydrophobicContact CE1-CB 4.02Å; F458-R580 HydrophobicContact CE1-CG 4.17Å; E462-R580 IonicContact OE1-CZ 3.33Å; E462-R580 IonicContact OE1-NE 2.75Å; E462-R580 PolarHBondContact OE1-NE 3.26Å; E462-R580 IonicContact OE1-NH2 3.59Å; E462-R580 PolarHBondContact OE1-NH2 2.97Å; E462-R580 IonicContact OE2-NE 3.81Å; L574-R580 HydrophobicContact CB-CG 3.68Å; L574-R580 VanDerWaalsContact O-CG 3.3Å; L574-R580 WeakPolarHBondContact O-CG 3.29Å; L574-R580 PolarHBondContact O-NH1 2.8Å; D575-R580 PolarHBondContact O-NH1 3.11Å; S576-R580 PolarHBondContact O-N 3.47Å; S576-R580 VanDerWaalsContact O-N 3.13Å; S576-R580 PolarHBondContact O-NH1 2.9Å; Y577-R580 PolarHBondContact O-N 3.25Å; S578-R580 PolarHBondContact O-N 2.76Å; R580-I583 PolarHBondContact O-N 3.08Å; R580-L584 VanDerWaalsContact O-CG 3.31Å; R580-L584 WeakPolarHBondContact O-CG 3.43Å; R580-L584 PolarHBondContact O-N 3.09Å
581	M	94.3	Very high	86.8	Confident	9 Å²	9	34.1 Å²	34.1	4%	0.044	19%	0.189	C	C	.	.	H	α-helix	trans	-60.4	-45.6	178.5	-77.6	-55.7	-53.6	0	0	112.5	M537 A540 L541 Y577 S578 I583 L584 E585	M537-M581 HydrophobicContact CB-CE 4.2Å; M537-M581 HydrophobicContact CB-SD 4.01Å; M537-M581 HydrophobicContact CG-CE 4.35Å; M537-M581 HydrophobicContact CG-SD 3.58Å; M537-M581 VanDerWaalsContact CG-SD 3.58Å; M537-M581 HydrophobicContact SD-SD 4.1Å; A540-M581 HydrophobicContact CB-CE 3.77Å; L541-M581 HydrophobicContact CD2-CE 4.27Å; L541-M581 HydrophobicContact CG-CE 4.16Å; Y577-M581 HydrophobicContact CD1-CG 4.18Å; Y577-M581 HydrophobicContact CD2-CG 4.28Å; Y577-M581 HydrophobicContact CE1-CG 3.61Å; Y577-M581 HydrophobicContact CE2-CG 3.75Å; Y577-M581 HydrophobicContact CE2-SD 4.14Å; Y577-M581 HydrophobicContact CG-CG 4.49Å; Y577-M581 PolarHBondContact O-N 3.47Å; S578-M581 PolarHBondContact O-N 2.88Å; M581-I583 VanDerWaalsContact C-N 3.27Å; M581-I583 PolarHBondContact O-N 3.41Å; M581-L584 PolarHBondContact O-N 2.92Å; M581-L584 HydrophobicContact SD-CD1 4.05Å; M581-E585 WeakPolarHBondContact O-CG 3.29Å; M581-E585 PolarHBondContact O-N 3.01Å
582	Q	92	Very high	88.7	Confident	48 Å²	48	29.6 Å²	29.6	22%	0.224	16%	0.16	C	C	.	.	H	α-helix	trans	-56.3	-42	176.6	-75	-179.7	-45.6	0	0	112.2	D556 S578 C586	D556-Q582 PolarHBondContact OD2-NE2 3.3Å; S578-Q582 WeakPolarHBondContact O-CG 3.33Å; S578-Q582 PolarHBondContact O-N 3.3Å; Q582-C586 PolarHBondContact O-N 3.37Å; Q582-C586 VanDerWaalsContact O-N 3.09Å; Q582-C586 PolarHBondContact O-SG 2.95Å
583	I	92.6	Very high	90.3	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-69.3	-38.9	176.2	-62.7	-50.8	0	0	0	111.6	L454 F458 L557 L574 A579 R580 M581 C586 I587 L661	L454-I583 HydrophobicContact CD2-CG2 4.38Å; F458-I583 HydrophobicContact CZ-CB 4.4Å; F458-I583 HydrophobicContact CZ-CG2 3.95Å; L557-I583 HydrophobicContact CD1-CD1 4.16Å; L574-I583 HydrophobicContact CD1-CG1 4.23Å; L574-I583 HydrophobicContact CD2-CG1 3.65Å; A579-I583 WeakPolarHBondContact O-CG1 3.38Å; A579-I583 PolarHBondContact O-N 3.44Å; R580-I583 PolarHBondContact O-N 3.08Å; M581-I583 VanDerWaalsContact C-N 3.27Å; M581-I583 PolarHBondContact O-N 3.41Å; I583-C586 PolarHBondContact O-N 3Å; I583-I587 HydrophobicContact CG2-CD1 3.82Å; I583-I587 HydrophobicContact CG2-CG1 4.33Å; I583-I587 VanDerWaalsContact O-CG1 3.23Å; I583-I587 WeakPolarHBondContact O-CG1 3.23Å; I583-I587 PolarHBondContact O-N 2.94Å; I583-L661 HydrophobicContact CD1-CD2 3.81Å; I583-L661 HydrophobicContact CG2-CD2 4.33Å
584	L	95.7	Very high	91.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-64.5	-41.9	177.1	-67.5	169.2	0	0	0	112.1	F449 F458 E462 I466 L541 R580 M581 I587 I588	F449-L584 HydrophobicContact CE2-CD2 4.16Å; F449-L584 HydrophobicContact CZ-CD2 3.63Å; F458-L584 HydrophobicContact CD1-CD1 4.04Å; F458-L584 HydrophobicContact CD1-CD2 3.74Å; F458-L584 HydrophobicContact CD1-CG 3.95Å; F458-L584 HydrophobicContact CD2-CD2 4.15Å; F458-L584 HydrophobicContact CE1-CD1 4.07Å; F458-L584 HydrophobicContact CE1-CD2 3.59Å; F458-L584 HydrophobicContact CE1-CG 3.56Å; F458-L584 HydrophobicContact CE2-CD2 4Å; F458-L584 HydrophobicContact CG-CD2 4.02Å; F458-L584 HydrophobicContact CZ-CD2 3.72Å; F458-L584 HydrophobicContact CZ-CG 4.02Å; E462-L584 HydrophobicContact CB-CD1 4.12Å; E462-L584 HydrophobicContact CG-CD1 4.23Å; I466-L584 HydrophobicContact CB-CD2 4.4Å; I466-L584 HydrophobicContact CD1-CB 4.21Å; I466-L584 HydrophobicContact CD1-CD2 3.87Å; I466-L584 WeakPolarHBondContact CD1-O 3.41Å; I466-L584 HydrophobicContact CG2-CD2 4.33Å; L541-L584 VanDerWaalsContact CD2-C 3.44Å; L541-L584 HydrophobicContact CD2-CB 3.59Å; R580-L584 VanDerWaalsContact O-CG 3.31Å; R580-L584 WeakPolarHBondContact O-CG 3.43Å; R580-L584 PolarHBondContact O-N 3.09Å; M581-L584 PolarHBondContact O-N 2.92Å; M581-L584 HydrophobicContact SD-CD1 4.05Å; L584-I587 PolarHBondContact O-N 3.46Å; L584-I588 PolarHBondContact O-N 3.17Å
585	E	97.4	Very high	93.1	Very high	39 Å²	39	25.6 Å²	25.6	18%	0.182	14%	0.139	C	C	.	.	H	α-helix	trans	-59.6	-44.9	173.6	-70.5	164.1	176.1	0	0	110.8	L541 L553 M581 I587 I588 H589	L541-E585 HydrophobicContact CD2-CG 4.1Å; L553-E585 HydrophobicContact CD2-CB 3.95Å; M581-E585 WeakPolarHBondContact O-CG 3.29Å; M581-E585 PolarHBondContact O-N 3.01Å; E585-I587 VanDerWaalsContact C-N 3.33Å; E585-I587 PolarHBondContact O-N 3.38Å; E585-I588 VanDerWaalsContact O-CG2 3.3Å; E585-I588 WeakPolarHBondContact O-CG2 3.47Å; E585-H589 VanDerWaalsContact O-CB 3.28Å; E585-H589 WeakPolarHBondContact O-CB 3.33Å; E585-H589 PolarHBondContact O-N 3.07Å
586	C	95.4	Very high	94.3	Very high	3 Å²	3	19.7 Å²	19.7	2%	0.02	11%	0.108	C	C	.	.	H	α-helix	trans	-64.7	-35.4	174.9	-66	0	0	0	0	113	L557 Q582 I583 A590 M658	L557-C586 HydrophobicContact CD1-CB 4.04Å; L557-C586 HydrophobicContact CD2-CB 4.43Å; Q582-C586 PolarHBondContact O-N 3.37Å; Q582-C586 VanDerWaalsContact O-N 3.09Å; Q582-C586 PolarHBondContact O-SG 2.95Å; I583-C586 PolarHBondContact O-N 3Å; C586-A590 WeakPolarHBondContact O-CB 3.46Å; C586-A590 PolarHBondContact O-N 2.87Å; C586-M658 HydrophobicContact CB-SD 4.3Å
587	I	96.1	Very high	95	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.005	9%	0.088	C	C	.	.	H	α-helix	trans	-66.5	-50.3	178.6	-74.1	164.2	0	0	0	110.8	T445 L448 F449 L454 F458 I466 I583 L584 E585 H589 A590 A591 M658	T445-I587 HydrophobicContact CG2-CG2 4.23Å; L448-I587 HydrophobicContact CB-CG2 4.12Å; L448-I587 HydrophobicContact CD1-CG2 3.81Å; F449-I587 HydrophobicContact CD2-CG2 4.38Å; F449-I587 HydrophobicContact CE2-CD1 3.99Å; F449-I587 HydrophobicContact CE2-CG2 4.1Å; L454-I587 HydrophobicContact CD1-CD1 3.57Å; L454-I587 HydrophobicContact CD1-CG1 4.41Å; F458-I587 HydrophobicContact CE2-CD1 4.17Å; F458-I587 HydrophobicContact CZ-CD1 4.29Å; I466-I587 HydrophobicContact CD1-CB 3.98Å; I466-I587 HydrophobicContact CD1-CG2 3.68Å; I583-I587 HydrophobicContact CG2-CD1 3.82Å; I583-I587 HydrophobicContact CG2-CG1 4.33Å; I583-I587 VanDerWaalsContact O-CG1 3.23Å; I583-I587 WeakPolarHBondContact O-CG1 3.23Å; I583-I587 PolarHBondContact O-N 2.94Å; L584-I587 PolarHBondContact O-N 3.46Å; E585-I587 VanDerWaalsContact C-N 3.33Å; E585-I587 PolarHBondContact O-N 3.38Å; I587-H589 VanDerWaalsContact C-N 3.33Å; I587-A590 PolarHBondContact O-N 2.94Å; I587-A591 VanDerWaalsContact O-CB 3.3Å; I587-A591 WeakPolarHBondContact O-CB 3.44Å; I587-A591 PolarHBondContact O-N 3.21Å; I587-M658 HydrophobicContact CG1-CE 4.01Å
588	I	98.2	Very high	95.5	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-65	-40.7	-179.1	-169.9	168.9	0	0	0	110.8	I466 A469 L541 T545 L584 E585 A590 A591 D592	I466-I588 HydrophobicContact CD1-CB 4.21Å; I466-I588 HydrophobicContact CG1-CB 4.2Å; A469-I588 HydrophobicContact CB-CD1 3.72Å; L541-I588 HydrophobicContact CB-CD1 4.3Å; L541-I588 HydrophobicContact CB-CG2 4.34Å; L541-I588 HydrophobicContact CD2-CG2 4.05Å; T545-I588 HydrophobicContact CG2-CD1 4.27Å; T545-I588 HydrophobicContact CG2-CG1 4.08Å; T545-I588 HydrophobicContact CG2-CG2 4.4Å; L584-I588 PolarHBondContact O-N 3.17Å; E585-I588 VanDerWaalsContact O-CG2 3.3Å; E585-I588 WeakPolarHBondContact O-CG2 3.47Å; I588-A590 PolarHBondContact O-N 3.13Å; I588-A591 WeakPolarHBondContact O-CB 3.41Å; I588-A591 PolarHBondContact O-N 3.19Å; I588-D592 WeakPolarHBondContact O-CB 3.47Å; I588-D592 PolarHBondContact O-N 2.82Å
589	H	98.1	Very high	95.9	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.005	7%	0.07	C	C	.	.	H	α-helix	trans	-63	-42.1	175.8	-167.2	53.7	0	0	0	112.9	S544 M547 H550 L553 E585 I587 D592 L593	S544-H589 PolarHBondContact O-ND1 3.4Å; M547-H589 VanDerWaalsContact SD-CE1 3.59Å; H550-H589 AromaticContact CG-NE2 3.63Å; H550-H589 AromaticContact ND1-CD2 3.87Å; H550-H589 AromaticContact ND1-NE2 3.13Å; H550-H589 PolarHBondContact ND1-NE2 3Å; H550-H589 VanDerWaalsContact ND1-NE2 3.13Å; L553-H589 HydrophobicContact CD1-CB 4.18Å; E585-H589 VanDerWaalsContact O-CB 3.28Å; E585-H589 WeakPolarHBondContact O-CB 3.33Å; E585-H589 PolarHBondContact O-N 3.07Å; I587-H589 VanDerWaalsContact C-N 3.33Å; H589-D592 PolarHBondContact O-N 2.92Å; H589-L593 WeakPolarHBondContact O-CG 3.33Å; H589-L593 PolarHBondContact O-N 2.98Å
590	A	97.6	Very high	96.5	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-67.1	-38.2	174.8	0	0	0	0	0	112.1	C586 I587 I588 D592 L593 S594 L654 W655 M658	C586-A590 WeakPolarHBondContact O-CB 3.46Å; C586-A590 PolarHBondContact O-N 2.87Å; I587-A590 PolarHBondContact O-N 2.94Å; I588-A590 PolarHBondContact O-N 3.13Å; A590-D592 VanDerWaalsContact C-N 3.33Å; A590-L593 CarbonylContact O-C 3.24Å; A590-L593 VanDerWaalsContact O-C 3.24Å; A590-L593 PolarHBondContact O-N 3.3Å; A590-S594 PolarHBondContact O-N 3.41Å; A590-L654 HydrophobicContact CB-CD2 4.17Å; A590-L654 HydrophobicContact CB-CG 4.36Å; A590-W655 HydrophobicContact CB-CZ2 4.28Å; A590-W655 WeakPolarHBondContact O-CZ2 3.43Å; A590-M658 HydrophobicContact CB-CE 4.15Å; A590-M658 HydrophobicContact CB-CG 4.1Å
591	A	98.1	Very high	96.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-63.6	-39.1	177	0	0	0	0	0	112.1	V441 A444 T445 L448 I587 I588 S594	V441-A591 HydrophobicContact CG1-CB 3.98Å; A444-A591 HydrophobicContact CB-CB 3.77Å; T445-A591 WeakPolarHBondContact OG1-CB 3.32Å; L448-A591 HydrophobicContact CD1-CB 4.42Å; I587-A591 VanDerWaalsContact O-CB 3.3Å; I587-A591 WeakPolarHBondContact O-CB 3.44Å; I587-A591 PolarHBondContact O-N 3.21Å; I588-A591 WeakPolarHBondContact O-CB 3.41Å; I588-A591 PolarHBondContact O-N 3.19Å; A591-S594 WeakPolarHBondContact O-CB 3.37Å; A591-S594 PolarHBondContact O-N 2.87Å; A591-S594 PolarHBondContact O-OG 3.24Å
592	D	98.6	Very high	96.9	Very high	21 Å²	21	20.4 Å²	20.4	11%	0.112	10%	0.102	C	C	.	.	H	α-helix	trans	-63.3	-45.6	173	-172.3	9.2	0	0	0	111.3	H437 V441 H473 I588 H589 A590 S594	H437-D592 IonicContact CE1-OD1 2.99Å; H437-D592 PolarHBondContact CE1-OD1 2.98Å; H437-D592 VanDerWaalsContact CE1-OD1 3.25Å; H437-D592 IonicContact NE2-OD1 3.43Å; H437-D592 PolarHBondContact NE2-OD1 2.96Å; V441-D592 HydrophobicContact CG1-CB 4.38Å; V441-D592 HydrophobicContact CG2-CB 4.31Å; H473-D592 IonicContact NE2-OD1 2.91Å; I588-D592 WeakPolarHBondContact O-CB 3.47Å; I588-D592 PolarHBondContact O-N 2.82Å; H589-D592 PolarHBondContact O-N 2.92Å; A590-D592 VanDerWaalsContact C-N 3.33Å; D592-S594 PolarHBondContact O-N 2.82Å
593	L	98.1	Very high	97.2	Very high	13 Å²	13	18.3 Å²	18.3	7%	0.068	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	29	174.6	-58.7	174.7	0	0	0	113.9	M547 H589 A590 F646 I650 L654 W655	M547-L593 HydrophobicContact CE-CD1 4.14Å; M547-L593 HydrophobicContact CE-CD2 4.12Å; M547-L593 HydrophobicContact SD-CD1 4.01Å; M547-L593 HydrophobicContact SD-CD2 3.8Å; M547-L593 HydrophobicContact SD-CG 4.31Å; H589-L593 WeakPolarHBondContact O-CG 3.33Å; H589-L593 PolarHBondContact O-N 2.98Å; A590-L593 CarbonylContact O-C 3.24Å; A590-L593 VanDerWaalsContact O-C 3.24Å; A590-L593 PolarHBondContact O-N 3.3Å; L593-F646 HydrophobicContact CD2-CE2 4.17Å; L593-F646 HydrophobicContact CD2-CZ 3.77Å; L593-I650 HydrophobicContact CD1-CG2 4.05Å; L593-L654 HydrophobicContact CB-CD2 4.29Å; L593-L654 HydrophobicContact CD1-CD2 3.66Å; L593-W655 PolarHBondContact O-NE1 2.68Å
594	S	97.9	Very high	97.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-10.5	-174.1	72.9	0	0	0	0	114.9	A590 A591 D592 T597 K598	A590-S594 PolarHBondContact O-N 3.41Å; A591-S594 WeakPolarHBondContact O-CB 3.37Å; A591-S594 PolarHBondContact O-N 2.87Å; A591-S594 PolarHBondContact O-OG 3.24Å; D592-S594 PolarHBondContact O-N 2.82Å; S594-T597 WeakPolarHBondContact O-CA 3.37Å; S594-T597 VanDerWaalsContact O-CB 3.3Å; S594-T597 WeakPolarHBondContact O-CB 3.05Å; S594-T597 WeakPolarHBondContact O-CG2 3.39Å; S594-T597 PolarHBondContact O-N 3.12Å; S594-T597 PolarHBondContact O-OG1 3.5Å; S594-K598 WeakPolarHBondContact OG-CE 3.42Å; S594-K598 PolarHBondContact OG-NZ 2.88Å
595	N	98.1	Very high	97.6	Very high	17 Å²	17	25 Å²	25	9%	0.091	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-53.5	-46.1	-173.6	-59.6	-22.4	0	0	0	113.7	F432 D440 T597 K598 Y603 W606	F432-N595 VanDerWaalsContact CE2-ND2 3.28Å; F432-N595 WeakPolarHBondContact CE2-ND2 3.49Å; F432-N595 VanDerWaalsContact CZ-ND2 3.26Å; F432-N595 WeakPolarHBondContact CZ-ND2 3.36Å; D440-N595 PolarHBondContact OD2-OD1 3.16Å; N595-T597 PolarHBondContact O-N 3.11Å; N595-T597 VanDerWaalsContact O-N 3.14Å; N595-K598 WeakPolarHBondContact O-CB 3.41Å; N595-K598 WeakPolarHBondContact O-CG 3.45Å; N595-K598 PolarHBondContact O-N 3.15Å; N595-K598 VanDerWaalsContact O-N 3.15Å; N595-Y603 HydrophobicContact CB-CD2 4.07Å; N595-Y603 HydrophobicContact CB-CE2 4.31Å; N595-Y603 WeakPolarHBondContact O-CD2 3.44Å; N595-W606 HydrophobicContact CB-CB 4.13Å; N595-W606 HydrophobicContact CB-CG 4.24Å
596	P	98	Very high	97.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-70.1	-9.2	179.1	-18.9	34.6	0	0	0	114.3	Y603 F646 I647 V651 I673 N676	P596-Y603 HydrophobicContact CB-CD2 4.44Å; P596-Y603 HydrophobicContact CB-CE1 3.97Å; P596-Y603 HydrophobicContact CB-CE2 3.89Å; P596-Y603 HydrophobicContact CG-CD2 4.4Å; P596-Y603 HydrophobicContact CG-CE1 4.49Å; P596-Y603 HydrophobicContact CG-CE2 3.6Å; P596-Y603 WeakPolarHBondContact CG-OH 3.39Å; P596-F646 HydrophobicContact CG-CD1 4.21Å; P596-F646 HydrophobicContact CG-CE1 3.92Å; P596-I647 HydrophobicContact CB-CD1 4.13Å; P596-I647 HydrophobicContact CB-CG1 3.95Å; P596-I647 HydrophobicContact CG-CG1 4.27Å; P596-V651 HydrophobicContact CB-CG1 4.13Å; P596-V651 HydrophobicContact CG-CB 4.39Å; P596-V651 HydrophobicContact CG-CG1 3.95Å; P596-V651 HydrophobicContact CG-CG2 4.06Å; P596-I673 WeakPolarHBondContact O-CA 3.4Å; P596-N676 PolarHBondContact O-ND2 3.45Å
597	T	97.2	Very high	97.8	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.006	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-85.6	-12.3	175.5	79.5	0	0	0	0	113.3	S594 N595 W655 N672 I673	S594-T597 WeakPolarHBondContact O-CA 3.37Å; S594-T597 VanDerWaalsContact O-CB 3.3Å; S594-T597 WeakPolarHBondContact O-CB 3.05Å; S594-T597 WeakPolarHBondContact O-CG2 3.39Å; S594-T597 PolarHBondContact O-N 3.12Å; S594-T597 PolarHBondContact O-OG1 3.5Å; N595-T597 PolarHBondContact O-N 3.11Å; N595-T597 VanDerWaalsContact O-N 3.14Å; T597-W655 HydrophobicContact CG2-CD2 3.69Å; T597-W655 HydrophobicContact CG2-CE3 4.24Å; T597-W655 HydrophobicContact CG2-CG 4.08Å; T597-W655 HydrophobicContact CG2-CH2 4.22Å; T597-W655 HydrophobicContact CG2-CZ2 3.65Å; T597-W655 HydrophobicContact CG2-CZ3 4.49Å; T597-N672 WeakPolarHBondContact O-CB 3.15Å; T597-N672 PolarHBondContact O-ND2 3.47Å; T597-I673 HydrophobicContact CG2-CD1 3.7Å; T597-I673 HydrophobicContact CG2-CG1 3.69Å
598	K	97.2	Very high	97.9	Very high	2 Å²	2	27 Å²	27	1%	0.009	14%	0.14	C	C	.	.	S	Bend	trans	-80	160.2	-179.2	-51.5	-64.9	164.3	63.8	0	110.3	A376 D440 S594 N595 I602 N676	A376-K598 HydrophobicContact CB-CB 4.44Å; A376-K598 HydrophobicContact CB-CD 3.98Å; D440-K598 IonicContact OD1-NZ 2.85Å; D440-K598 PolarHBondContact OD1-NZ 3.15Å; D440-K598 IonicContact OD2-NZ 3.31Å; D440-K598 PolarHBondContact OD2-NZ 2.8Å; S594-K598 WeakPolarHBondContact OG-CE 3.42Å; S594-K598 PolarHBondContact OG-NZ 2.88Å; N595-K598 WeakPolarHBondContact O-CB 3.41Å; N595-K598 WeakPolarHBondContact O-CG 3.45Å; N595-K598 PolarHBondContact O-N 3.15Å; N595-K598 VanDerWaalsContact O-N 3.15Å; K598-I602 HydrophobicContact CB-CB 4.16Å; K598-I602 HydrophobicContact CB-CG2 3.86Å; K598-I602 HydrophobicContact CG-CG2 4.2Å; K598-N676 PolarHBondContact O-ND2 3.5Å
599	P	97	Very high	97.9	Very high	57 Å²	57	29.7 Å²	29.7	37%	0.37	15%	0.151	S	C	.	.			trans	-53	142.9	171.1	-26	35	0	0	0	111.8	A376 K601 I602 Y603	A376-P599 HydrophobicContact CB-CG 3.87Å; P599-K601 PolarHBondContact O-N 3.19Å; P599-I602 PolarHBondContact O-N 3.2Å; P599-Y603 PolarHBondContact O-N 3.28Å; P599-Y603 VanDerWaalsContact O-N 3.09Å
600	L	97.5	Very high	97.8	Very high	43 Å²	43	31.4 Å²	31.4	23%	0.225	16%	0.16	C	C	.	.	H	α-helix	trans	-45.4	-43.5	-171.4	-178.5	64.2	0	0	0	114.3	I602 Y603 Q604 N676 W679 Y680	L600-I602 PolarHBondContact O-N 3.07Å; L600-Y603 PolarHBondContact O-N 2.91Å; L600-Q604 HydrophobicContact CD1-CG 4.05Å; L600-Q604 HydrophobicContact CG-CG 4.25Å; L600-Q604 WeakPolarHBondContact O-CB 3.18Å; L600-Q604 VanDerWaalsContact O-CG 3.3Å; L600-Q604 WeakPolarHBondContact O-CG 3.3Å; L600-Q604 PolarHBondContact O-N 3.16Å; L600-N676 WeakPolarHBondContact CA-OD1 3.28Å; L600-N676 WeakPolarHBondContact CB-OD1 3.33Å; L600-N676 PolarHBondContact N-OD1 2.98Å; L600-W679 HydrophobicContact CD1-CB 4.26Å; L600-W679 HydrophobicContact CD1-CD2 3.84Å; L600-W679 HydrophobicContact CD1-CE3 3.81Å; L600-W679 HydrophobicContact CD1-CG 4.02Å; L600-W679 HydrophobicContact CD2-CB 4.24Å; L600-W679 VanDerWaalsContact CD2-CD1 3.48Å; L600-W679 HydrophobicContact CD2-CD2 3.68Å; L600-W679 HydrophobicContact CD2-CE3 4.45Å; L600-W679 HydrophobicContact CD2-CG 3.52Å; L600-W679 HydrophobicContact CG-CD2 4.36Å; L600-W679 HydrophobicContact CG-CG 4.43Å; L600-Y680 HydrophobicContact CD1-CE2 4.38Å
601	K	97.4	Very high	97.8	Very high	160 Å²	160	31.6 Å²	31.6	70%	0.696	16%	0.16	S	C	*	.	H	α-helix	trans	-60	-43	-179.9	-173.8	-174.3	176.6	-166	0	113	P599 E605	P599-K601 PolarHBondContact O-N 3.19Å; K601-E605 PolarHBondContact O-N 2.94Å
602	I	97.7	Very high	97.8	Very high	22 Å²	22	34.4 Å²	34.4	11%	0.113	17%	0.174	C	C	.	.	H	α-helix	trans	-70.9	-41.8	178	-68.6	173.3	0	0	0	109.3	A376 F380 K598 P599 L600 Q604 E605 W606	A376-I602 HydrophobicContact CB-CD1 3.83Å; A376-I602 WeakPolarHBondContact O-CD1 3.44Å; F380-I602 HydrophobicContact CE2-CG2 4.15Å; K598-I602 HydrophobicContact CB-CB 4.16Å; K598-I602 HydrophobicContact CB-CG2 3.86Å; K598-I602 HydrophobicContact CG-CG2 4.2Å; P599-I602 PolarHBondContact O-N 3.2Å; L600-I602 PolarHBondContact O-N 3.07Å; I602-Q604 PolarHBondContact O-N 3.2Å; I602-E605 PolarHBondContact O-N 2.87Å; I602-W606 PolarHBondContact O-N 3.4Å; I602-W606 VanDerWaalsContact O-N 3.08Å
603	Y	98.2	Very high	97.7	Very high	3 Å²	3	33.9 Å²	33.9	1%	0.012	17%	0.17	C	C	.	.	H	α-helix	trans	-62	-42.3	177.7	179.9	-145.3	0	0	0	112.2	N595 P596 P599 L600 E605 W606 V607 Q643 I647 N676 Y680	N595-Y603 HydrophobicContact CB-CD2 4.07Å; N595-Y603 HydrophobicContact CB-CE2 4.31Å; N595-Y603 WeakPolarHBondContact O-CD2 3.44Å; P596-Y603 HydrophobicContact CB-CD2 4.44Å; P596-Y603 HydrophobicContact CB-CE1 3.97Å; P596-Y603 HydrophobicContact CB-CE2 3.89Å; P596-Y603 HydrophobicContact CG-CD2 4.4Å; P596-Y603 HydrophobicContact CG-CE1 4.49Å; P596-Y603 HydrophobicContact CG-CE2 3.6Å; P596-Y603 WeakPolarHBondContact CG-OH 3.39Å; P599-Y603 PolarHBondContact O-N 3.28Å; P599-Y603 VanDerWaalsContact O-N 3.09Å; L600-Y603 PolarHBondContact O-N 2.91Å; Y603-E605 VanDerWaalsContact C-N 3.34Å; Y603-E605 PolarHBondContact O-N 3.4Å; Y603-W606 WeakPolarHBondContact O-CB 3.11Å; Y603-W606 PolarHBondContact O-N 3.13Å; Y603-V607 HydrophobicContact CD2-CG2 3.82Å; Y603-V607 HydrophobicContact CE2-CG2 3.45Å; Y603-V607 VanDerWaalsContact CE2-CG2 3.45Å; Y603-V607 HydrophobicContact CG-CG2 4.5Å; Y603-V607 WeakPolarHBondContact O-CG2 3.17Å; Y603-V607 PolarHBondContact O-N 3.48Å; Y603-Q643 PolarHBondContact OH-OE1 3.21Å; Y603-I647 HydrophobicContact CE1-CD1 4.2Å; Y603-N676 HydrophobicContact CD1-CB 3.77Å; Y603-N676 HydrophobicContact CE1-CB 3.96Å; Y603-Y680 AromaticContact CD1-CE2 3.71Å; Y603-Y680 HydrophobicContact CD1-CE2 3.71Å; Y603-Y680 AromaticContact CE1-CD2 3.93Å; Y603-Y680 HydrophobicContact CE1-CD2 3.93Å; Y603-Y680 AromaticContact CE1-CE2 3.32Å; Y603-Y680 HydrophobicContact CE1-CE2 3.32Å
604	Q	98	Very high	97.5	Very high	67 Å²	67	34.9 Å²	34.9	31%	0.313	18%	0.175	S	C	.	.	H	α-helix	trans	-60.9	-39.1	175.8	-76	174.8	-42.2	0	0	112.9	L600 I602 V607 S608 W679	L600-Q604 HydrophobicContact CD1-CG 4.05Å; L600-Q604 HydrophobicContact CG-CG 4.25Å; L600-Q604 WeakPolarHBondContact O-CB 3.18Å; L600-Q604 VanDerWaalsContact O-CG 3.3Å; L600-Q604 WeakPolarHBondContact O-CG 3.3Å; L600-Q604 PolarHBondContact O-N 3.16Å; I602-Q604 PolarHBondContact O-N 3.2Å; Q604-V607 PolarHBondContact O-N 2.87Å; Q604-S608 PolarHBondContact O-N 3.14Å; Q604-W679 VanDerWaalsContact NE2-CZ2 3.25Å
605	E	98	Very high	97.5	Very high	74 Å²	74	36.1 Å²	36.1	35%	0.346	18%	0.18	S	C	.	.	H	α-helix	trans	-63.9	-43.7	174.3	-179.9	68.9	-164.9	0	0	111	F380 K601 I602 Y603 V607 S608 R609	F380-E605 HydrophobicContact CD1-CG 3.94Å; F380-E605 HydrophobicContact CD2-CB 4.26Å; F380-E605 HydrophobicContact CD2-CG 3.63Å; F380-E605 HydrophobicContact CE1-CG 3.7Å; F380-E605 HydrophobicContact CE2-CB 3.68Å; F380-E605 HydrophobicContact CE2-CG 3.33Å; F380-E605 HydrophobicContact CG-CG 3.89Å; F380-E605 HydrophobicContact CZ-CB 3.93Å; F380-E605 HydrophobicContact CZ-CG 3.35Å; K601-E605 PolarHBondContact O-N 2.94Å; I602-E605 PolarHBondContact O-N 2.87Å; Y603-E605 VanDerWaalsContact C-N 3.34Å; Y603-E605 PolarHBondContact O-N 3.4Å; E605-V607 PolarHBondContact O-N 3.12Å; E605-S608 PolarHBondContact O-N 3.06Å; E605-R609 WeakPolarHBondContact O-CG 3.33Å; E605-R609 PolarHBondContact O-N 2.99Å; E605-R609 VanDerWaalsContact O-N 3.07Å; E605-R609 IonicContact OE1-CZ 3.6Å; E605-R609 VanDerWaalsContact OE1-CZ 3.31Å; E605-R609 IonicContact OE1-NE 3.32Å; E605-R609 PolarHBondContact OE1-NE 3.43Å; E605-R609 IonicContact OE1-NH2 3.51Å; E605-R609 PolarHBondContact OE1-NH2 3.14Å
606	W	98.4	Very high	97.5	Very high	3 Å²	3	40.1 Å²	40.1	1%	0.011	19%	0.194	C	C	.	.	H	α-helix	trans	-61.8	-41.3	173.1	-77.2	130.9	0	0	0	112.7	F380 F432 I436 H437 D440 N595 I602 Y603 R609 I610	F380-W606 HydrophobicContact CE1-CD2 4.1Å; F380-W606 AromaticContact CE1-CE2 3.98Å; F380-W606 HydrophobicContact CE1-CE3 4.06Å; F380-W606 AromaticContact CE1-CH2 3.74Å; F380-W606 HydrophobicContact CE1-CH2 3.74Å; F380-W606 AromaticContact CE1-CZ2 3.8Å; F380-W606 HydrophobicContact CE1-CZ2 3.8Å; F380-W606 AromaticContact CE1-CZ3 3.89Å; F380-W606 HydrophobicContact CE1-CZ3 3.89Å; F380-W606 AromaticContact CZ-CD2 3.52Å; F380-W606 HydrophobicContact CZ-CD2 3.52Å; F380-W606 AromaticContact CZ-CE2 3.37Å; F380-W606 AromaticContact CZ-CE3 3.94Å; F380-W606 HydrophobicContact CZ-CE3 3.94Å; F380-W606 AromaticContact CZ-CG 3.96Å; F380-W606 HydrophobicContact CZ-CG 3.96Å; F380-W606 HydrophobicContact CZ-CH2 4.01Å; F380-W606 AromaticContact CZ-CZ2 3.63Å; F380-W606 HydrophobicContact CZ-CZ2 3.63Å; F380-W606 HydrophobicContact CZ-CZ3 4.17Å; F380-W606 AromaticContact CZ-NE1 3.83Å; F432-W606 AromaticContact CD2-CE3 3.72Å; F432-W606 HydrophobicContact CD2-CE3 3.72Å; F432-W606 HydrophobicContact CD2-CZ3 4.21Å; F432-W606 HydrophobicContact CE2-CD2 4.36Å; F432-W606 AromaticContact CE2-CE3 3.69Å; F432-W606 HydrophobicContact CE2-CE3 3.69Å; F432-W606 HydrophobicContact CE2-CZ3 4.35Å; I436-W606 HydrophobicContact CB-CH2 4.15Å; I436-W606 HydrophobicContact CG2-CH2 3.8Å; I436-W606 HydrophobicContact CG2-CZ2 4.17Å; H437-W606 HydrophobicContact CB-CH2 3.92Å; H437-W606 HydrophobicContact CB-CZ3 4.02Å; D440-W606 HydrophobicContact CB-CZ2 3.77Å; D440-W606 PolarHBondContact OD2-NE1 3.1Å; N595-W606 HydrophobicContact CB-CB 4.13Å; N595-W606 HydrophobicContact CB-CG 4.24Å; I602-W606 PolarHBondContact O-N 3.4Å; I602-W606 VanDerWaalsContact O-N 3.08Å; Y603-W606 WeakPolarHBondContact O-CB 3.11Å; Y603-W606 PolarHBondContact O-N 3.13Å; W606-R609 PolarHBondContact O-N 3.44Å; W606-I610 WeakPolarHBondContact O-CG2 3.39Å; W606-I610 PolarHBondContact O-N 2.96Å
607	V	98	Very high	97.4	Very high	7 Å²	7	40.3 Å²	40.3	4%	0.042	20%	0.195	C	C	.	.	H	α-helix	trans	-61.7	-45.5	175.5	170.7	0	0	0	0	110.7	Y603 Q604 E605 R609 I610 M611 I639 Q643 Y680	Y603-V607 HydrophobicContact CD2-CG2 3.82Å; Y603-V607 HydrophobicContact CE2-CG2 3.45Å; Y603-V607 VanDerWaalsContact CE2-CG2 3.45Å; Y603-V607 HydrophobicContact CG-CG2 4.5Å; Y603-V607 WeakPolarHBondContact O-CG2 3.17Å; Y603-V607 PolarHBondContact O-N 3.48Å; Q604-V607 PolarHBondContact O-N 2.87Å; E605-V607 PolarHBondContact O-N 3.12Å; V607-R609 PolarHBondContact O-N 3.15Å; V607-I610 WeakPolarHBondContact O-CG2 3.18Å; V607-I610 PolarHBondContact O-N 3.02Å; V607-M611 HydrophobicContact CG1-CG 4.15Å; V607-M611 WeakPolarHBondContact O-CB 3.45Å; V607-M611 WeakPolarHBondContact O-CG 3.4Å; V607-M611 PolarHBondContact O-N 3.36Å; V607-I639 HydrophobicContact CG1-CG2 3.66Å; V607-Q643 HydrophobicContact CG1-CG 3.91Å; V607-Q643 HydrophobicContact CG2-CG 3.95Å; V607-Y680 WeakPolarHBondContact CG2-OH 3.36Å
608	S	97.8	Very high	97.4	Very high	76 Å²	76	40.3 Å²	40.3	53%	0.531	20%	0.196	S	C	.	.	H	α-helix	trans	-58.8	-38.8	176.3	-173.1	0	0	0	0	112.1	Q604 E605 E612	Q604-S608 PolarHBondContact O-N 3.14Å; E605-S608 PolarHBondContact O-N 3.06Å; S608-E612 WeakPolarHBondContact O-CB 3.46Å; S608-E612 PolarHBondContact O-N 3.41Å; S608-E612 VanDerWaalsContact O-N 3.08Å
609	R	98.2	Very high	97.3	Very high	57 Å²	57	43.3 Å²	43.3	22%	0.215	21%	0.212	C	C	.	.	H	α-helix	trans	-70.7	-49	-179.5	-74.6	169.6	-179.1	-86.9	-3	112.5	P431 F432 E605 W606 V607 M611 E612 E613	P431-R609 HydrophobicContact CB-CB 4.47Å; P431-R609 VanDerWaalsContact CB-O 3.31Å; P431-R609 WeakPolarHBondContact CB-O 3.3Å; P431-R609 WeakPolarHBondContact O-CB 3.45Å; P431-R609 WeakPolarHBondContact O-CD 3.36Å; P431-R609 VanDerWaalsContact O-CG 3.3Å; P431-R609 WeakPolarHBondContact O-CG 3.44Å; P431-R609 PolarHBondContact O-NH1 3.06Å; F432-R609 HydrophobicContact CB-CB 4.25Å; F432-R609 HydrophobicContact CD2-CB 4.25Å; E605-R609 WeakPolarHBondContact O-CG 3.33Å; E605-R609 PolarHBondContact O-N 2.99Å; E605-R609 VanDerWaalsContact O-N 3.07Å; E605-R609 IonicContact OE1-CZ 3.6Å; E605-R609 VanDerWaalsContact OE1-CZ 3.31Å; E605-R609 IonicContact OE1-NE 3.32Å; E605-R609 PolarHBondContact OE1-NE 3.43Å; E605-R609 IonicContact OE1-NH2 3.51Å; E605-R609 PolarHBondContact OE1-NH2 3.14Å; W606-R609 PolarHBondContact O-N 3.44Å; V607-R609 PolarHBondContact O-N 3.15Å; R609-M611 VanDerWaalsContact C-N 3.33Å; R609-M611 PolarHBondContact O-N 2.99Å; R609-E612 PolarHBondContact O-N 3.46Å; R609-E613 PolarHBondContact O-N 2.66Å
610	I	97	Very high	97.3	Very high	37 Å²	37	43.9 Å²	43.9	19%	0.19	21%	0.209	C	C	.	.	H	α-helix	trans	-66	-38.3	179.6	-168	65.2	0	0	0	111.3	F432 W606 V607 E613 M614	F432-I610 HydrophobicContact CB-CB 4.38Å; F432-I610 HydrophobicContact CB-CD1 4.01Å; F432-I610 HydrophobicContact CD1-CD1 3.71Å; F432-I610 HydrophobicContact CD2-CB 3.57Å; F432-I610 HydrophobicContact CD2-CD1 4.01Å; F432-I610 HydrophobicContact CD2-CG1 4.29Å; F432-I610 HydrophobicContact CE1-CD1 4.12Å; F432-I610 HydrophobicContact CE2-CB 3.98Å; F432-I610 HydrophobicContact CE2-CD1 4.38Å; F432-I610 HydrophobicContact CG-CB 4.02Å; F432-I610 HydrophobicContact CG-CD1 3.63Å; F432-I610 HydrophobicContact CG-CG1 4.39Å; F432-I610 HydrophobicContact CZ-CD1 4.43Å; W606-I610 WeakPolarHBondContact O-CG2 3.39Å; W606-I610 PolarHBondContact O-N 2.96Å; V607-I610 WeakPolarHBondContact O-CG2 3.18Å; V607-I610 PolarHBondContact O-N 3.02Å; I610-E613 PolarHBondContact O-N 3.13Å; I610-M614 HydrophobicContact CG1-CE 3.85Å; I610-M614 HydrophobicContact CG2-CE 4.22Å; I610-M614 WeakPolarHBondContact O-CB 3.32Å; I610-M614 WeakPolarHBondContact O-CG 3.44Å; I610-M614 PolarHBondContact O-N 2.71Å
611	M	96.7	Very high	97.3	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.015	20%	0.199	C	C	.	.	H	α-helix	trans	-63.6	-44.3	175.4	-67.1	-52.6	-48.6	0	0	111.4	V607 R609 E613 M614 F615 A637 I639	V607-M611 HydrophobicContact CG1-CG 4.15Å; V607-M611 WeakPolarHBondContact O-CB 3.45Å; V607-M611 WeakPolarHBondContact O-CG 3.4Å; V607-M611 PolarHBondContact O-N 3.36Å; R609-M611 VanDerWaalsContact C-N 3.33Å; R609-M611 PolarHBondContact O-N 2.99Å; M611-E613 VanDerWaalsContact C-N 3.31Å; M611-E613 PolarHBondContact O-N 3.2Å; M611-M614 HydrophobicContact CE-CE 4.05Å; M611-M614 PolarHBondContact O-N 2.84Å; M611-M614 HydrophobicContact SD-CE 3.36Å; M611-M614 WeakPolarHBondContact SD-CE 3.44Å; M611-F615 HydrophobicContact CB-CD2 4.46Å; M611-F615 HydrophobicContact CB-CE2 3.97Å; M611-F615 HydrophobicContact CB-CZ 4.17Å; M611-F615 HydrophobicContact CE-CD1 4.36Å; M611-F615 HydrophobicContact CE-CE1 3.42Å; M611-F615 VanDerWaalsContact CE-CE1 3.42Å; M611-F615 HydrophobicContact CE-CE2 4.29Å; M611-F615 HydrophobicContact CE-CZ 3.38Å; M611-F615 WeakPolarHBondContact O-CB 3.41Å; M611-F615 WeakPolarHBondContact O-CD2 3.38Å; M611-F615 WeakPolarHBondContact O-CG 3.09Å; M611-F615 PolarHBondContact O-N 2.76Å; M611-A637 HydrophobicContact CE-CB 4.23Å; M611-I639 HydrophobicContact CE-CG1 4.14Å; M611-I639 HydrophobicContact CG-CD1 4.26Å; M611-I639 HydrophobicContact CG-CG1 4.11Å; M611-I639 HydrophobicContact CG-CG2 4.2Å; M611-I639 HydrophobicContact SD-CG1 4.37Å
612	E	98	Very high	97.1	Very high	60 Å²	60	39.2 Å²	39.2	28%	0.28	19%	0.188	S	C	.	.	H	α-helix	trans	-62.2	-37.2	176	172.6	58.9	-166.8	0	0	112.2	P431 S608 R609 F615 R616	P431-E612 HydrophobicContact CB-CB 4.21Å; P431-E612 HydrophobicContact CB-CG 4.03Å; P431-E612 HydrophobicContact CG-CB 4.3Å; P431-E612 HydrophobicContact CG-CG 3.7Å; S608-E612 WeakPolarHBondContact O-CB 3.46Å; S608-E612 PolarHBondContact O-N 3.41Å; S608-E612 VanDerWaalsContact O-N 3.08Å; R609-E612 PolarHBondContact O-N 3.46Å; E612-F615 PolarHBondContact O-N 3.42Å; E612-R616 VanDerWaalsContact O-CG 3.31Å; E612-R616 WeakPolarHBondContact O-CG 3.45Å; E612-R616 PolarHBondContact O-N 3.24Å; E612-R616 IonicContact OE1-CZ 3.88Å; E612-R616 IonicContact OE1-NE 3.46Å; E612-R616 PolarHBondContact OE1-NE 3.18Å; E612-R616 IonicContact OE1-NH2 2.76Å; E612-R616 PolarHBondContact OE1-NH2 3.15Å
613	E	97.6	Very high	97	Very high	10 Å²	10	45.4 Å²	45.4	5%	0.047	22%	0.216	C	C	.	.	H	α-helix	trans	-68.1	-45.3	175.6	-162.7	166.5	122.5	0	0	112.3	P431 F432 H433 H477 G479 R609 I610 M611 F615 R616 Q617	P431-E613 HydrophobicContact CB-CB 4.16Å; P431-E613 WeakPolarHBondContact CD-OE2 3.35Å; P431-E613 HydrophobicContact CG-CB 4.07Å; F432-E613 WeakPolarHBondContact CA-OE2 3.48Å; F432-E613 HydrophobicContact CB-CB 4.36Å; F432-E613 WeakPolarHBondContact CB-OE2 3.43Å; F432-E613 PolarHBondContact N-OE2 3.38Å; H433-E613 IonicContact CE1-OE1 2.72Å; H433-E613 IonicContact CG-OE1 3.9Å; H433-E613 PolarHBondContact N-OE2 2.86Å; H433-E613 VanDerWaalsContact N-OE2 3.13Å; H433-E613 IonicContact ND1-OE1 3.27Å; H433-E613 PolarHBondContact ND1-OE1 3.45Å; H477-E613 IonicContact CE1-OE1 3.79Å; H477-E613 IonicContact ND1-OE1 3.92Å; G479-E613 VanDerWaalsContact CA-OE1 3.29Å; G479-E613 WeakPolarHBondContact CA-OE1 3.04Å; R609-E613 PolarHBondContact O-N 2.66Å; I610-E613 PolarHBondContact O-N 3.13Å; M611-E613 VanDerWaalsContact C-N 3.31Å; M611-E613 PolarHBondContact O-N 3.2Å; E613-F615 VanDerWaalsContact C-N 3.31Å; E613-F615 PolarHBondContact O-N 3.47Å; E613-R616 WeakPolarHBondContact O-CB 3.46Å; E613-R616 PolarHBondContact O-N 3.32Å; E613-Q617 PolarHBondContact O-N 3.45Å; E613-Q617 VanDerWaalsContact O-N 3.1Å
614	M	94.6	Very high	96.6	Very high	34 Å²	34	52.4 Å²	52.4	17%	0.167	24%	0.243	C	C	.	.	H	α-helix	trans	-59.1	-41.6	173.3	-73.7	-168	-83.3	0	0	111.7	I610 M611 R616 Q617 G618 M631 C632	I610-M614 HydrophobicContact CG1-CE 3.85Å; I610-M614 HydrophobicContact CG2-CE 4.22Å; I610-M614 WeakPolarHBondContact O-CB 3.32Å; I610-M614 WeakPolarHBondContact O-CG 3.44Å; I610-M614 PolarHBondContact O-N 2.71Å; M611-M614 HydrophobicContact CE-CE 4.05Å; M611-M614 PolarHBondContact O-N 2.84Å; M611-M614 HydrophobicContact SD-CE 3.36Å; M611-M614 WeakPolarHBondContact SD-CE 3.44Å; M614-R616 VanDerWaalsContact C-N 3.35Å; M614-R616 PolarHBondContact O-N 3.4Å; M614-Q617 WeakPolarHBondContact O-CB 3.33Å; M614-Q617 PolarHBondContact O-N 3.43Å; M614-G618 PolarHBondContact O-N 3.47Å; M614-M631 HydrophobicContact SD-CB 4.32Å; M614-M631 HydrophobicContact SD-CE 4.48Å; M614-C632 VanDerWaalsContact O-CB 3.28Å; M614-C632 WeakPolarHBondContact O-CB 3.19Å
615	F	97.5	Very high	96.3	Very high	25 Å²	25	52.6 Å²	52.6	11%	0.11	26%	0.263	C	S	.	.	H	α-helix	trans	-66.3	-35.4	177.1	-62.7	-25.5	0	0	0	112.8	M611 E612 E613 Q617 G618 D619 C632 R634 A637	M611-F615 HydrophobicContact CB-CD2 4.46Å; M611-F615 HydrophobicContact CB-CE2 3.97Å; M611-F615 HydrophobicContact CB-CZ 4.17Å; M611-F615 HydrophobicContact CE-CD1 4.36Å; M611-F615 HydrophobicContact CE-CE1 3.42Å; M611-F615 VanDerWaalsContact CE-CE1 3.42Å; M611-F615 HydrophobicContact CE-CE2 4.29Å; M611-F615 HydrophobicContact CE-CZ 3.38Å; M611-F615 WeakPolarHBondContact O-CB 3.41Å; M611-F615 WeakPolarHBondContact O-CD2 3.38Å; M611-F615 WeakPolarHBondContact O-CG 3.09Å; M611-F615 PolarHBondContact O-N 2.76Å; E612-F615 PolarHBondContact O-N 3.42Å; E613-F615 VanDerWaalsContact C-N 3.31Å; E613-F615 PolarHBondContact O-N 3.47Å; F615-Q617 VanDerWaalsContact C-N 3.33Å; F615-G618 PolarHBondContact O-N 3.43Å; F615-D619 PolarHBondContact O-N 3.08Å; F615-C632 WeakPolarHBondContact CA-O 3.45Å; F615-R634 HydrophobicContact CB-CB 4.17Å; F615-R634 HydrophobicContact CD1-CB 3.81Å; F615-R634 HydrophobicContact CD2-CB 3.95Å; F615-R634 HydrophobicContact CE1-CB 4.11Å; F615-R634 HydrophobicContact CE2-CB 4.24Å; F615-R634 HydrophobicContact CG-CB 3.72Å; F615-R634 HydrophobicContact CZ-CB 4.31Å; F615-A637 HydrophobicContact CE1-CB 3.69Å; F615-A637 HydrophobicContact CZ-CB 4.11Å
616	R	97.3	Very high	95.9	Very high	101 Å²	101	51.6 Å²	51.6	38%	0.381	26%	0.26	S	S	.	.	H	α-helix	trans	-64.5	-37.4	172.6	-74.5	176.1	-174.8	-169.4	6.5	112.1	T429 E612 E613 M614 Q620	T429-R616 PolarHBondContact O-NH1 3.43Å; E612-R616 VanDerWaalsContact O-CG 3.31Å; E612-R616 WeakPolarHBondContact O-CG 3.45Å; E612-R616 PolarHBondContact O-N 3.24Å; E612-R616 IonicContact OE1-CZ 3.88Å; E612-R616 IonicContact OE1-NE 3.46Å; E612-R616 PolarHBondContact OE1-NE 3.18Å; E612-R616 IonicContact OE1-NH2 2.76Å; E612-R616 PolarHBondContact OE1-NH2 3.15Å; E613-R616 WeakPolarHBondContact O-CB 3.46Å; E613-R616 PolarHBondContact O-N 3.32Å; M614-R616 VanDerWaalsContact C-N 3.35Å; M614-R616 PolarHBondContact O-N 3.4Å; R616-Q620 WeakPolarHBondContact O-CG 3.47Å; R616-Q620 PolarHBondContact O-N 3.44Å
617	Q	96.3	Very high	95.6	Very high	4 Å²	4	59.6 Å²	59.6	2%	0.019	30%	0.297	C	S	.	.	H	α-helix	trans	-63.2	-48.2	171.1	-179.7	176.9	-54.4	0	0	110.8	L480 T481 Y484 E613 M614 F615 D619 Q620 E621 S629	L480-Q617 HydrophobicContact CD2-CB 3.92Å; L480-Q617 HydrophobicContact CD2-CG 3.8Å; T481-Q617 PolarHBondContact OG1-NE2 3.1Å; Y484-Q617 HydrophobicContact CD2-CG 3.74Å; Y484-Q617 HydrophobicContact CE2-CG 4.26Å; Y484-Q617 HydrophobicContact CG-CG 4.19Å; E613-Q617 PolarHBondContact O-N 3.45Å; E613-Q617 VanDerWaalsContact O-N 3.1Å; M614-Q617 WeakPolarHBondContact O-CB 3.33Å; M614-Q617 PolarHBondContact O-N 3.43Å; F615-Q617 VanDerWaalsContact C-N 3.33Å; Q617-D619 VanDerWaalsContact C-N 3.3Å; Q617-D619 PolarHBondContact O-N 2.81Å; Q617-Q620 WeakPolarHBondContact O-CA 3.44Å; Q617-Q620 WeakPolarHBondContact O-CB 3.46Å; Q617-Q620 PolarHBondContact O-N 2.74Å; Q617-E621 HydrophobicContact CG-CG 4.35Å; Q617-E621 PolarHBondContact NE2-OE1 2.84Å; Q617-E621 WeakPolarHBondContact O-CG 3.41Å; Q617-E621 PolarHBondContact O-N 3.29Å; Q617-S629 PolarHBondContact NE2-OG 3.23Å
618	G	96.4	Very high	95.4	Very high	2 Å²	2	61.5 Å²	61.5	2%	0.021	31%	0.307	C	S	.	.	H	α-helix	trans	-61.4	-36.2	179.7	0	0	0	0	0	113.7	M614 F615 Q620 E621 K622 C632	M614-G618 PolarHBondContact O-N 3.47Å; F615-G618 PolarHBondContact O-N 3.43Å; G618-Q620 VanDerWaalsContact C-N 3.32Å; G618-Q620 PolarHBondContact O-N 3.48Å; G618-E621 WeakPolarHBondContact CA-OE2 3.37Å; G618-E621 PolarHBondContact O-N 3.3Å; G618-K622 WeakPolarHBondContact O-CB 3.47Å; G618-K622 PolarHBondContact O-N 3.07Å; G618-C632 WeakPolarHBondContact CA-O 3.5Å
619	D	96.9	Very high	94.9	Very high	65 Å²	65	59 Å²	59	35%	0.348	29%	0.289	S	S	.	.	H	α-helix	trans	-62.2	-39.8	172.6	-67.1	-20.7	0	0	0	111.6	F615 Q617 Q623 R634	F615-D619 PolarHBondContact O-N 3.08Å; Q617-D619 VanDerWaalsContact C-N 3.3Å; Q617-D619 PolarHBondContact O-N 2.81Å; D619-Q623 WeakPolarHBondContact O-CB 3.46Å; D619-Q623 PolarHBondContact O-N 2.94Å; D619-R634 IonicContact OD1-CZ 3.46Å; D619-R634 IonicContact OD1-NE 2.7Å; D619-R634 PolarHBondContact OD1-NE 3.31Å; D619-R634 IonicContact OD1-NH2 2.81Å; D619-R634 IonicContact OD2-CZ 2.9Å; D619-R634 IonicContact OD2-NE 2.76Å; D619-R634 PolarHBondContact OD2-NE 3.12Å; D619-R634 IonicContact OD2-NH2 3.21Å; D619-R634 PolarHBondContact OD2-NH2 3.41Å
620	Q	95.9	Very high	94.2	Very high	68 Å²	68	61.5 Å²	61.5	32%	0.318	31%	0.313	S	S	.	.	H	α-helix	trans	-67.5	-45.1	175.1	-68.7	-177.4	25.9	0	0	111.4	Y484 R616 Q617 G618 K622 Q623 Y624	Y484-Q620 HydrophobicContact CE2-CB 4.44Å; Y484-Q620 PolarHBondContact OH-OE1 3.5Å; Y484-Q620 VanDerWaalsContact OH-OE1 3.1Å; R616-Q620 WeakPolarHBondContact O-CG 3.47Å; R616-Q620 PolarHBondContact O-N 3.44Å; Q617-Q620 WeakPolarHBondContact O-CA 3.44Å; Q617-Q620 WeakPolarHBondContact O-CB 3.46Å; Q617-Q620 PolarHBondContact O-N 2.74Å; G618-Q620 VanDerWaalsContact C-N 3.32Å; G618-Q620 PolarHBondContact O-N 3.48Å; Q620-K622 VanDerWaalsContact C-N 3.33Å; Q620-K622 PolarHBondContact O-N 3.17Å; Q620-Q623 WeakPolarHBondContact O-CB 3.34Å; Q620-Q623 PolarHBondContact O-N 3.03Å; Q620-Q623 VanDerWaalsContact O-N 3.11Å; Q620-Y624 HydrophobicContact CB-CD2 4.36Å; Q620-Y624 HydrophobicContact CB-CE2 4.28Å; Q620-Y624 WeakPolarHBondContact O-CD2 3.34Å; Q620-Y624 PolarHBondContact O-N 3.05Å
621	E	96.6	Very high	93.6	Very high	1 Å²	1	64 Å²	64	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-57.3	-47.3	176.2	-68.4	168.4	156.8	0	0	110.8	Y484 Q617 G618 Q623 Y624 G625 I626 I628 S629	Y484-E621 HydrophobicContact CD2-CG 3.63Å; Y484-E621 HydrophobicContact CE2-CG 3.56Å; Q617-E621 HydrophobicContact CG-CG 4.35Å; Q617-E621 PolarHBondContact NE2-OE1 2.84Å; Q617-E621 WeakPolarHBondContact O-CG 3.41Å; Q617-E621 PolarHBondContact O-N 3.29Å; G618-E621 WeakPolarHBondContact CA-OE2 3.37Å; G618-E621 PolarHBondContact O-N 3.3Å; E621-Q623 VanDerWaalsContact C-N 3.32Å; E621-Q623 PolarHBondContact O-N 3.19Å; E621-Y624 PolarHBondContact O-N 3.12Å; E621-G625 PolarHBondContact O-N 3.28Å; E621-I626 HydrophobicContact CB-CB 4.26Å; E621-I626 PolarHBondContact O-N 3.03Å; E621-I628 HydrophobicContact CB-CG1 4.4Å; E621-I628 WeakPolarHBondContact OE2-CA 3.44Å; E621-S629 VanDerWaalsContact OE1-CB 3.31Å; E621-S629 WeakPolarHBondContact OE1-CB 3.28Å; E621-S629 PolarHBondContact OE1-OG 2.97Å; E621-S629 WeakPolarHBondContact OE2-CB 3.35Å; E621-S629 PolarHBondContact OE2-N 3.13Å
622	K	94.8	Very high	93.3	Very high	105 Å²	105	64.1 Å²	64.1	46%	0.457	33%	0.326	S	S	.	.	H	α-helix	trans	-59.7	-40.6	175	-168	172.2	-173.7	166.1	0	111.9	G618 Q620 G625 I628 E635	G618-K622 WeakPolarHBondContact O-CB 3.47Å; G618-K622 PolarHBondContact O-N 3.07Å; Q620-K622 VanDerWaalsContact C-N 3.33Å; Q620-K622 PolarHBondContact O-N 3.17Å; K622-G625 PolarHBondContact O-N 3.07Å; K622-I628 HydrophobicContact CB-CD1 3.96Å; K622-I628 HydrophobicContact CB-CG1 4.25Å; K622-I628 HydrophobicContact CD-CD1 4.15Å; K622-I628 HydrophobicContact CG-CD1 4.2Å; K622-E635 IonicContact NZ-OE1 3.57Å; K622-E635 PolarHBondContact NZ-OE1 2.97Å; K622-E635 IonicContact NZ-OE2 3.35Å
623	Q	94.4	Very high	93	Very high	151 Å²	151	62.7 Å²	62.7	71%	0.706	32%	0.32	S	S	*	.	H	α-helix	trans	-66.6	-38.9	178	-177.3	179.4	-2.2	0	0	112.6	D619 Q620 E621 G625	D619-Q623 WeakPolarHBondContact O-CB 3.46Å; D619-Q623 PolarHBondContact O-N 2.94Å; Q620-Q623 WeakPolarHBondContact O-CB 3.34Å; Q620-Q623 PolarHBondContact O-N 3.03Å; Q620-Q623 VanDerWaalsContact O-N 3.11Å; E621-Q623 VanDerWaalsContact C-N 3.32Å; E621-Q623 PolarHBondContact O-N 3.19Å; Q623-G625 VanDerWaalsContact C-N 3.32Å
624	Y	91	Very high	92.9	Very high	151 Å²	151	67.3 Å²	67.3	59%	0.592	34%	0.337	S	S	*	.	H	α-helix	trans	-85.7	-2.5	179.7	-67.2	-61.9	0	0	0	113.8	Q620 E621 I626	Q620-Y624 HydrophobicContact CB-CD2 4.36Å; Q620-Y624 HydrophobicContact CB-CE2 4.28Å; Q620-Y624 WeakPolarHBondContact O-CD2 3.34Å; Q620-Y624 PolarHBondContact O-N 3.05Å; E621-Y624 PolarHBondContact O-N 3.12Å; Y624-I626 VanDerWaalsContact C-N 3.29Å
625	G	91.5	Very high	92.7	Very high	71 Å²	71	72.5 Å²	72.5	73%	0.732	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	26.8	-177.9	0	0	0	0	0	113.1	E621 K622 Q623	E621-G625 PolarHBondContact O-N 3.28Å; K622-G625 PolarHBondContact O-N 3.07Å; Q623-G625 VanDerWaalsContact C-N 3.32Å
626	I	90.2	Very high	92.3	Very high	52 Å²	52	76.5 Å²	76.5	27%	0.267	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-88.6	148.6	173.9	-56.4	170.9	0	0	0	107.7	T488 E621 Y624 I628	T488-I626 HydrophobicContact CG2-CD1 3.53Å; E621-I626 HydrophobicContact CB-CB 4.26Å; E621-I626 PolarHBondContact O-N 3.03Å; Y624-I626 VanDerWaalsContact C-N 3.29Å; I626-I628 PolarHBondContact O-N 2.89Å
627	E	91.3	Very high	91.7	Very high	171 Å²	171	73 Å²	73	80%	0.799	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-57.4	125.7	171.3	-175.8	174.6	-177.2	0	0	109.5	S629	E627-S629 PolarHBondContact O-N 3.47Å
628	I	93.2	Very high	91.5	Very high	48 Å²	48	75 Å²	75	25%	0.246	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-67.5	126.9	-178.4	-56.7	171.5	0	0	0	108.3	E621 K622 I626 C632 D633	E621-I628 HydrophobicContact CB-CG1 4.4Å; E621-I628 WeakPolarHBondContact OE2-CA 3.44Å; K622-I628 HydrophobicContact CB-CD1 3.96Å; K622-I628 HydrophobicContact CB-CG1 4.25Å; K622-I628 HydrophobicContact CD-CD1 4.15Å; K622-I628 HydrophobicContact CG-CD1 4.2Å; I626-I628 PolarHBondContact O-N 2.89Å; I628-C632 HydrophobicContact CG2-CB 4.02Å; I628-D633 HydrophobicContact CD1-CB 4.37Å; I628-D633 HydrophobicContact CG2-CB 3.82Å
629	S	87.3	Confident	91.3	Very high	23 Å²	23	77.8 Å²	77.8	16%	0.161	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-58.5	147.9	179.3	-75.3	0	0	0	0	110.9	Q617 E621 E627 M631 C632	Q617-S629 PolarHBondContact NE2-OG 3.23Å; E621-S629 VanDerWaalsContact OE1-CB 3.31Å; E621-S629 WeakPolarHBondContact OE1-CB 3.28Å; E621-S629 PolarHBondContact OE1-OG 2.97Å; E621-S629 WeakPolarHBondContact OE2-CB 3.35Å; E621-S629 PolarHBondContact OE2-N 3.13Å; E627-S629 PolarHBondContact O-N 3.47Å; S629-M631 PolarHBondContact O-N 2.84Å; S629-C632 VanDerWaalsContact O-CB 3.31Å; S629-C632 WeakPolarHBondContact O-CB 3.36Å; S629-C632 PolarHBondContact O-N 3.07Å
630	P	83.7	Confident	91.1	Very high	109 Å²	109	77.5 Å²	77.5	71%	0.708	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	137.4	175.2	-27.1	34.7	0	0	0	111.7	C632	P630-C632 PolarHBondContact O-N 3Å; P630-C632 VanDerWaalsContact O-N 3.1Å
631	M	84.3	Confident	90.9	Very high	91 Å²	91	76.3 Å²	76.3	45%	0.448	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.9	-5.2	-179.5	-45.1	171	-66.7	0	0	115.9	M614 S629 T642	M614-M631 HydrophobicContact SD-CB 4.32Å; M614-M631 HydrophobicContact SD-CE 4.48Å; S629-M631 PolarHBondContact O-N 2.84Å; M631-T642 HydrophobicContact CG-CG2 4.33Å; M631-T642 HydrophobicContact SD-CG2 3.38Å; M631-T642 WeakPolarHBondContact SD-CG2 3.42Å
632	C	90	Very high	90.5	Very high	5 Å²	5	77.4 Å²	77.4	3%	0.034	41%	0.409	C	S	.	.			trans	-87.6	-11.4	-179.8	-62.3	0	0	0	0	113.2	M614 F615 G618 I628 S629 P630 R634	M614-C632 VanDerWaalsContact O-CB 3.28Å; M614-C632 WeakPolarHBondContact O-CB 3.19Å; F615-C632 WeakPolarHBondContact CA-O 3.45Å; G618-C632 WeakPolarHBondContact CA-O 3.5Å; I628-C632 HydrophobicContact CG2-CB 4.02Å; S629-C632 VanDerWaalsContact O-CB 3.31Å; S629-C632 WeakPolarHBondContact O-CB 3.36Å; S629-C632 PolarHBondContact O-N 3.07Å; P630-C632 PolarHBondContact O-N 3Å; P630-C632 VanDerWaalsContact O-N 3.1Å; C632-R634 PolarHBondContact O-N 3.34Å
633	D	93.3	Very high	90.5	Very high	30 Å²	30	72.9 Å²	72.9	16%	0.16	39%	0.389	C	S	.	.			trans	-84.4	108.4	175.5	-177.8	10.3	0	0	0	111.5	I628 E635 T636 A637	I628-D633 HydrophobicContact CD1-CB 4.37Å; I628-D633 HydrophobicContact CG2-CB 3.82Å; D633-E635 PolarHBondContact O-N 3.47Å; D633-E635 VanDerWaalsContact O-N 3.12Å; D633-E635 WeakPolarHBondContact OD1-CB 3.39Å; D633-E635 PolarHBondContact OD1-N 3.02Å; D633-T636 WeakPolarHBondContact CB-OG1 3.45Å; D633-T636 VanDerWaalsContact CG-OG1 3.29Å; D633-T636 PolarHBondContact O-N 3.47Å; D633-T636 VanDerWaalsContact OD2-CG2 3.32Å; D633-T636 WeakPolarHBondContact OD2-CG2 3.49Å; D633-T636 PolarHBondContact OD2-OG1 3.31Å; D633-A637 WeakPolarHBondContact O-CB 3.29Å; D633-A637 PolarHBondContact O-N 3.42Å
634	R	93.7	Very high	90.5	Very high	107 Å²	107	66.8 Å²	66.8	40%	0.404	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-17	177.3	63.3	175.4	70	-119.1	2	114.3	F615 D619 C632	F615-R634 HydrophobicContact CB-CB 4.17Å; F615-R634 HydrophobicContact CD1-CB 3.81Å; F615-R634 HydrophobicContact CD2-CB 3.95Å; F615-R634 HydrophobicContact CE1-CB 4.11Å; F615-R634 HydrophobicContact CE2-CB 4.24Å; F615-R634 HydrophobicContact CG-CB 3.72Å; F615-R634 HydrophobicContact CZ-CB 4.31Å; D619-R634 IonicContact OD1-CZ 3.46Å; D619-R634 IonicContact OD1-NE 2.7Å; D619-R634 PolarHBondContact OD1-NE 3.31Å; D619-R634 IonicContact OD1-NH2 2.81Å; D619-R634 IonicContact OD2-CZ 2.9Å; D619-R634 IonicContact OD2-NE 2.76Å; D619-R634 PolarHBondContact OD2-NE 3.12Å; D619-R634 IonicContact OD2-NH2 3.21Å; D619-R634 PolarHBondContact OD2-NH2 3.41Å; C632-R634 PolarHBondContact O-N 3.34Å
635	E	90.4	Very high	90.3	Very high	143 Å²	143	60.6 Å²	60.6	67%	0.668	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-24.7	179	-64.1	172.8	-161.4	0	0	112.7	K622 D633	K622-E635 IonicContact NZ-OE1 3.57Å; K622-E635 PolarHBondContact NZ-OE1 2.97Å; K622-E635 IonicContact NZ-OE2 3.35Å; D633-E635 PolarHBondContact O-N 3.47Å; D633-E635 VanDerWaalsContact O-N 3.12Å; D633-E635 WeakPolarHBondContact OD1-CB 3.39Å; D633-E635 PolarHBondContact OD1-N 3.02Å
636	T	89.2	Confident	90.3	Very high	109 Å²	109	60 Å²	60	67%	0.669	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.3	-12.8	-172.7	59.3	0	0	0	0	114.4	D633 C638	D633-T636 WeakPolarHBondContact CB-OG1 3.45Å; D633-T636 VanDerWaalsContact CG-OG1 3.29Å; D633-T636 PolarHBondContact O-N 3.47Å; D633-T636 VanDerWaalsContact OD2-CG2 3.32Å; D633-T636 WeakPolarHBondContact OD2-CG2 3.49Å; D633-T636 PolarHBondContact OD2-OG1 3.31Å; T636-C638 PolarHBondContact O-N 3.39Å
637	A	86.3	Confident	90.6	Very high	26 Å²	26	57.5 Å²	57.5	22%	0.215	31%	0.308	C	S	.	.			trans	-68.4	121.7	-178.2	0	0	0	0	0	112.8	M611 F615 D633 I639	M611-A637 HydrophobicContact CE-CB 4.23Å; F615-A637 HydrophobicContact CE1-CB 3.69Å; F615-A637 HydrophobicContact CZ-CB 4.11Å; D633-A637 WeakPolarHBondContact O-CB 3.29Å; D633-A637 PolarHBondContact O-N 3.42Å; A637-I639 PolarHBondContact O-N 2.88Å
638	C	90.7	Very high	90.6	Very high	48 Å²	48	51.9 Å²	51.9	32%	0.324	28%	0.283	S	S	.	.			trans	-91.7	98.7	168.9	179.5	0	0	0	0	110.1	T636 Y640 S641 T642	T636-C638 PolarHBondContact O-N 3.39Å; C638-Y640 VanDerWaalsContact C-N 3.29Å; C638-Y640 PolarHBondContact O-N 2.96Å; C638-S641 PolarHBondContact O-N 3.11Å; C638-S641 PolarHBondContact SG-OG 2.91Å; C638-T642 PolarHBondContact O-N 3.49Å; C638-T642 PolarHBondContact O-OG1 3.36Å
639	I	92.3	Very high	90.5	Very high	60 Å²	60	58 Å²	58	31%	0.308	30%	0.304	S	S	.	.	H	α-helix	trans	-53.9	-46.1	-177.5	-60.9	176.3	0	0	0	111	V607 M611 A637 S641 T642 Q643	V607-I639 HydrophobicContact CG1-CG2 3.66Å; M611-I639 HydrophobicContact CE-CG1 4.14Å; M611-I639 HydrophobicContact CG-CD1 4.26Å; M611-I639 HydrophobicContact CG-CG1 4.11Å; M611-I639 HydrophobicContact CG-CG2 4.2Å; M611-I639 HydrophobicContact SD-CG1 4.37Å; A637-I639 PolarHBondContact O-N 2.88Å; I639-S641 PolarHBondContact O-N 3.36Å; I639-T642 PolarHBondContact O-N 3.21Å; I639-Q643 HydrophobicContact CG2-CG 4.32Å; I639-Q643 WeakPolarHBondContact O-CG 3.43Å; I639-Q643 PolarHBondContact O-N 3.18Å
640	Y	93.9	Very high	90.7	Very high	58 Å²	58	58.9 Å²	58.9	23%	0.227	31%	0.307	C	S	.	.	H	α-helix	trans	-62	-45.4	-178.2	-53.4	-79.2	0	0	0	112.4	C638 T642 Q643 I644 W679 Y680 A683 K684 E687	C638-Y640 VanDerWaalsContact C-N 3.29Å; C638-Y640 PolarHBondContact O-N 2.96Å; Y640-T642 VanDerWaalsContact C-N 3.35Å; Y640-T642 PolarHBondContact O-N 3.37Å; Y640-Q643 PolarHBondContact O-N 2.95Å; Y640-I644 WeakPolarHBondContact O-CD1 3.4Å; Y640-I644 WeakPolarHBondContact O-CG1 2.86Å; Y640-I644 PolarHBondContact O-N 3.28Å; Y640-W679 HydrophobicContact CE1-CH2 4.48Å; Y640-W679 HydrophobicContact CE1-CZ3 4.32Å; Y640-Y680 AromaticContact CD1-CD1 3.62Å; Y640-Y680 HydrophobicContact CD1-CD1 3.62Å; Y640-Y680 HydrophobicContact CD1-CE1 4.25Å; Y640-Y680 HydrophobicContact CE1-CD1 4.33Å; Y640-Y680 HydrophobicContact CG-CD1 4.47Å; Y640-A683 HydrophobicContact CD1-CB 3.72Å; Y640-A683 HydrophobicContact CE1-CB 3.38Å; Y640-K684 HydrophobicContact CG-CB 4.12Å; Y640-E687 WeakPolarHBondContact CD2-OE2 3.41Å; Y640-E687 HydrophobicContact CE2-CB 4.45Å; Y640-E687 VanDerWaalsContact CE2-CD 3.49Å; Y640-E687 WeakPolarHBondContact CE2-OE2 3.44Å
641	S	90.5	Very high	91.2	Very high	44 Å²	44	53.7 Å²	53.7	31%	0.308	27%	0.273	S	S	.	.	H	α-helix	trans	-63.4	-41.6	178.6	-62	0	0	0	0	111.8	C638 I639 I644 G645 K684	C638-S641 PolarHBondContact O-N 3.11Å; C638-S641 PolarHBondContact SG-OG 2.91Å; I639-S641 PolarHBondContact O-N 3.36Å; S641-I644 PolarHBondContact O-N 3Å; S641-G645 PolarHBondContact O-N 3.05Å; S641-K684 WeakPolarHBondContact OG-CE 3.43Å; S641-K684 PolarHBondContact OG-NZ 3.26Å
642	T	89	Confident	91.8	Very high	24 Å²	24	53.1 Å²	53.1	15%	0.147	27%	0.267	C	S	.	.	H	α-helix	trans	-59	-48.4	175.1	-68.6	0	0	0	0	111.5	M631 C638 I639 Y640 G645 F646	M631-T642 HydrophobicContact CG-CG2 4.33Å; M631-T642 HydrophobicContact SD-CG2 3.38Å; M631-T642 WeakPolarHBondContact SD-CG2 3.42Å; C638-T642 PolarHBondContact O-N 3.49Å; C638-T642 PolarHBondContact O-OG1 3.36Å; I639-T642 PolarHBondContact O-N 3.21Å; Y640-T642 VanDerWaalsContact C-N 3.35Å; Y640-T642 PolarHBondContact O-N 3.37Å; T642-G645 PolarHBondContact O-N 3.13Å; T642-F646 VanDerWaalsContact O-CB 3.25Å; T642-F646 WeakPolarHBondContact O-CB 3.43Å; T642-F646 PolarHBondContact O-N 3.03Å
643	Q	95.4	Very high	92.1	Very high	9 Å²	9	54.2 Å²	54.2	4%	0.042	27%	0.274	C	S	.	.	H	α-helix	trans	-68.3	-37.1	-179	-63.2	-49.8	-49.9	0	0	112.7	Y603 V607 I639 Y640 I647 Y680	Y603-Q643 PolarHBondContact OH-OE1 3.21Å; V607-Q643 HydrophobicContact CG1-CG 3.91Å; V607-Q643 HydrophobicContact CG2-CG 3.95Å; I639-Q643 HydrophobicContact CG2-CG 4.32Å; I639-Q643 WeakPolarHBondContact O-CG 3.43Å; I639-Q643 PolarHBondContact O-N 3.18Å; Y640-Q643 PolarHBondContact O-N 2.95Å; Q643-I647 VanDerWaalsContact O-CG1 3.3Å; Q643-I647 WeakPolarHBondContact O-CG1 3.44Å; Q643-I647 PolarHBondContact O-N 3.26Å; Q643-Y680 HydrophobicContact CB-CD1 3.9Å; Q643-Y680 HydrophobicContact CB-CD2 4.34Å; Q643-Y680 HydrophobicContact CB-CE1 4.08Å; Q643-Y680 HydrophobicContact CB-CE2 4.5Å; Q643-Y680 HydrophobicContact CB-CG 4.08Å; Q643-Y680 HydrophobicContact CG-CD1 4.18Å; Q643-Y680 HydrophobicContact CG-CE1 3.86Å
644	I	94.2	Very high	92.2	Very high	23 Å²	23	52.8 Å²	52.8	12%	0.118	27%	0.266	C	S	.	.	H	α-helix	trans	-64	-48.4	175.1	-65.2	159.6	0	0	0	110.3	Y640 S641 I647 D648 V681 K684	Y640-I644 WeakPolarHBondContact O-CD1 3.4Å; Y640-I644 WeakPolarHBondContact O-CG1 2.86Å; Y640-I644 PolarHBondContact O-N 3.28Å; S641-I644 PolarHBondContact O-N 3Å; I644-I647 PolarHBondContact O-N 2.94Å; I644-D648 WeakPolarHBondContact O-CB 3.43Å; I644-D648 PolarHBondContact O-N 3.43Å; I644-V681 HydrophobicContact CD1-CB 4.4Å; I644-V681 HydrophobicContact CD1-CG2 3.78Å; I644-V681 HydrophobicContact CG1-CG2 3.94Å; I644-V681 HydrophobicContact CG2-CG2 4.36Å; I644-K684 HydrophobicContact CD1-CD 4.16Å
645	G	85.5	Confident	92.4	Very high	22 Å²	22	47.8 Å²	47.8	23%	0.227	25%	0.247	C	C	.	.	H	α-helix	trans	-62.7	-43.3	178.4	0	0	0	0	0	112.4	S641 T642 I647 D648 Y649	S641-G645 PolarHBondContact O-N 3.05Å; T642-G645 PolarHBondContact O-N 3.13Å; G645-I647 VanDerWaalsContact C-N 3.33Å; G645-I647 PolarHBondContact O-N 3.05Å; G645-D648 PolarHBondContact O-N 3.45Å; G645-Y649 WeakPolarHBondContact O-CB 3.25Å; G645-Y649 WeakPolarHBondContact O-CD2 3.14Å; G645-Y649 PolarHBondContact O-N 3.03Å
646	F	92.3	Very high	92.6	Very high	57 Å²	57	45 Å²	45	25%	0.25	23%	0.234	C	C	.	.	H	α-helix	trans	-58.7	-44.1	175.9	-179.8	-122.2	0	0	0	111.9	L593 P596 T642 I650 V651	L593-F646 HydrophobicContact CD2-CE2 4.17Å; L593-F646 HydrophobicContact CD2-CZ 3.77Å; P596-F646 HydrophobicContact CG-CD1 4.21Å; P596-F646 HydrophobicContact CG-CE1 3.92Å; T642-F646 VanDerWaalsContact O-CB 3.25Å; T642-F646 WeakPolarHBondContact O-CB 3.43Å; T642-F646 PolarHBondContact O-N 3.03Å; F646-I650 HydrophobicContact CD2-CB 4.06Å; F646-I650 HydrophobicContact CD2-CD1 3.98Å; F646-I650 HydrophobicContact CD2-CG1 4.38Å; F646-I650 HydrophobicContact CD2-CG2 4.39Å; F646-I650 HydrophobicContact CE2-CB 4.14Å; F646-I650 HydrophobicContact CE2-CD1 4.2Å; F646-I650 HydrophobicContact CE2-CG2 3.96Å; F646-I650 WeakPolarHBondContact O-CB 3.32Å; F646-I650 PolarHBondContact O-N 2.89Å; F646-I650 VanDerWaalsContact O-N 3.1Å; F646-V651 HydrophobicContact CD1-CG2 3.77Å; F646-V651 HydrophobicContact CD2-CG2 4.28Å; F646-V651 HydrophobicContact CE1-CG2 3.35Å; F646-V651 HydrophobicContact CE2-CG2 3.9Å; F646-V651 HydrophobicContact CG-CG2 4.22Å; F646-V651 HydrophobicContact CZ-CG2 3.42Å; F646-V651 VanDerWaalsContact CZ-CG2 3.42Å; F646-V651 PolarHBondContact O-N 3.31Å
647	I	95.7	Very high	92.8	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.203	C	C	.	.	I	π-helix	trans	-65	-50.7	175.6	-67.6	169.2	0	0	0	111.2	P596 Y603 Q643 I644 G645 Y649 Y652 I673 R677	P596-I647 HydrophobicContact CB-CD1 4.13Å; P596-I647 HydrophobicContact CB-CG1 3.95Å; P596-I647 HydrophobicContact CG-CG1 4.27Å; Y603-I647 HydrophobicContact CE1-CD1 4.2Å; Q643-I647 VanDerWaalsContact O-CG1 3.3Å; Q643-I647 WeakPolarHBondContact O-CG1 3.44Å; Q643-I647 PolarHBondContact O-N 3.26Å; I644-I647 PolarHBondContact O-N 2.94Å; G645-I647 VanDerWaalsContact C-N 3.33Å; G645-I647 PolarHBondContact O-N 3.05Å; I647-Y649 PolarHBondContact O-N 3.01Å; I647-Y652 WeakPolarHBondContact O-CB 3.34Å; I647-Y652 PolarHBondContact O-N 3.31Å; I647-I673 HydrophobicContact CG2-CG2 3.6Å; I647-R677 HydrophobicContact CB-CG 4.42Å; I647-R677 HydrophobicContact CD1-CB 3.9Å; I647-R677 HydrophobicContact CD1-CG 4.38Å; I647-R677 HydrophobicContact CG2-CB 4.03Å; I647-R677 HydrophobicContact CG2-CG 4.01Å
648	D	92.3	Very high	93.2	Very high	53 Å²	53	38.8 Å²	38.8	28%	0.283	19%	0.193	S	C	.	.	I	π-helix	trans	-67.3	-36	-171.6	-75.3	-10.6	0	0	0	113.2	I644 G645 R677	I644-D648 WeakPolarHBondContact O-CB 3.43Å; I644-D648 PolarHBondContact O-N 3.43Å; G645-D648 PolarHBondContact O-N 3.45Å; D648-R677 IonicContact OD1-CZ 3.13Å; D648-R677 IonicContact OD1-NE 2.64Å; D648-R677 PolarHBondContact OD1-NE 3.5Å; D648-R677 IonicContact OD1-NH2 3.78Å; D648-R677 PolarHBondContact OD1-NH2 3.01Å; D648-R677 IonicContact OD2-CZ 3.25Å; D648-R677 IonicContact OD2-NE 3.58Å; D648-R677 IonicContact OD2-NH2 3.61Å; D648-R677 PolarHBondContact OD2-NH2 3.34Å
649	Y	89.3	Confident	93.3	Very high	176 Å²	176	37.4 Å²	37.4	69%	0.69	19%	0.186	S	C	*	.	I	π-helix	trans	-102.6	-23.4	-171.9	-61	-62.4	0	0	0	114.7	G645 I647	G645-Y649 WeakPolarHBondContact O-CB 3.25Å; G645-Y649 WeakPolarHBondContact O-CD2 3.14Å; G645-Y649 PolarHBondContact O-N 3.03Å; I647-Y649 PolarHBondContact O-N 3.01Å
650	I	91.8	Very high	93.2	Very high	43 Å²	43	39.2 Å²	39.2	22%	0.221	19%	0.193	C	C	.	.	I	π-helix	trans	-119.7	-61.1	-174.3	-56.9	-171	0	0	0	110.9	M547 H550 L593 F646 L654	M547-I650 HydrophobicContact CE-CD1 4.19Å; M547-I650 HydrophobicContact CE-CG2 3.8Å; H550-I650 VanDerWaalsContact CE1-CG2 3.44Å; H550-I650 WeakPolarHBondContact CE1-CG2 3.37Å; H550-I650 PolarHBondContact CE1-O 3.47Å; L593-I650 HydrophobicContact CD1-CG2 4.05Å; F646-I650 HydrophobicContact CD2-CB 4.06Å; F646-I650 HydrophobicContact CD2-CD1 3.98Å; F646-I650 HydrophobicContact CD2-CG1 4.38Å; F646-I650 HydrophobicContact CD2-CG2 4.39Å; F646-I650 HydrophobicContact CE2-CB 4.14Å; F646-I650 HydrophobicContact CE2-CD1 4.2Å; F646-I650 HydrophobicContact CE2-CG2 3.96Å; F646-I650 WeakPolarHBondContact O-CB 3.32Å; F646-I650 PolarHBondContact O-N 2.89Å; F646-I650 VanDerWaalsContact O-N 3.1Å; I650-L654 WeakPolarHBondContact O-CB 3.26Å; I650-L654 PolarHBondContact O-N 2.72Å
651	V	95.8	Very high	92.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.184	C	C	.	.	I	π-helix	trans	-75.7	-48.6	-167.8	-180	0	0	0	0	112.3	P596 F646 L654 W655 I673	P596-V651 HydrophobicContact CB-CG1 4.13Å; P596-V651 HydrophobicContact CG-CB 4.39Å; P596-V651 HydrophobicContact CG-CG1 3.95Å; P596-V651 HydrophobicContact CG-CG2 4.06Å; F646-V651 HydrophobicContact CD1-CG2 3.77Å; F646-V651 HydrophobicContact CD2-CG2 4.28Å; F646-V651 HydrophobicContact CE1-CG2 3.35Å; F646-V651 HydrophobicContact CE2-CG2 3.9Å; F646-V651 HydrophobicContact CG-CG2 4.22Å; F646-V651 HydrophobicContact CZ-CG2 3.42Å; F646-V651 VanDerWaalsContact CZ-CG2 3.42Å; F646-V651 PolarHBondContact O-N 3.31Å; V651-L654 PolarHBondContact O-N 3.43Å; V651-W655 VanDerWaalsContact CG1-CD1 3.43Å; V651-W655 HydrophobicContact CG1-CG 4.46Å; V651-W655 WeakPolarHBondContact O-CB 3.37Å; V651-W655 VanDerWaalsContact O-CD1 3.29Å; V651-W655 PolarHBondContact O-N 3.17Å; V651-I673 HydrophobicContact CG1-CD1 4.36Å
652	Y	96	Very high	92.6	Very high	79 Å²	79	34.8 Å²	34.8	31%	0.31	17%	0.169	S	C	.	.	H	α-helix	trans	-61.9	-47.8	-177.6	-174.4	-80.7	0	0	0	112.2	I647 L654 W655 E656 M670 I673	I647-Y652 WeakPolarHBondContact O-CB 3.34Å; I647-Y652 PolarHBondContact O-N 3.31Å; Y652-L654 VanDerWaalsContact C-N 3.31Å; Y652-L654 PolarHBondContact O-N 2.91Å; Y652-W655 PolarHBondContact O-N 3.41Å; Y652-E656 HydrophobicContact CD1-CB 4.4Å; Y652-E656 HydrophobicContact CE1-CB 4.14Å; Y652-E656 HydrophobicContact CE1-CG 4.39Å; Y652-E656 WeakPolarHBondContact CE1-OE1 3.48Å; Y652-E656 WeakPolarHBondContact O-CB 3.3Å; Y652-E656 PolarHBondContact O-N 2.85Å; Y652-E656 PolarHBondContact OH-OE1 3.48Å; Y652-M670 HydrophobicContact CD2-CE 4.16Å; Y652-M670 HydrophobicContact CE2-CE 3.78Å; Y652-I673 HydrophobicContact CD2-CG2 3.99Å
653	P	95.9	Very high	92.3	Very high	27 Å²	27	40 Å²	40	18%	0.175	19%	0.192	C	C	.	.	H	α-helix	trans	-60.1	-37.6	177.4	-25.3	35.9	0	0	0	114	L554 T657	L554-P653 HydrophobicContact CD2-CB 4.01Å; P653-T657 PolarHBondContact O-N 3.39Å; P653-T657 PolarHBondContact O-OG1 2.89Å
654	L	96	Very high	91.6	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-65.9	-54.2	176.3	174.9	60.5	0	0	0	111.3	L554 L557 A590 L593 I650 V651 Y652 E656 T657 M658	L554-L654 HydrophobicContact CD1-CD1 4.41Å; L557-L654 HydrophobicContact CD2-CD1 4.08Å; A590-L654 HydrophobicContact CB-CD2 4.17Å; A590-L654 HydrophobicContact CB-CG 4.36Å; L593-L654 HydrophobicContact CB-CD2 4.29Å; L593-L654 HydrophobicContact CD1-CD2 3.66Å; I650-L654 WeakPolarHBondContact O-CB 3.26Å; I650-L654 PolarHBondContact O-N 2.72Å; V651-L654 PolarHBondContact O-N 3.43Å; Y652-L654 VanDerWaalsContact C-N 3.31Å; Y652-L654 PolarHBondContact O-N 2.91Å; L654-E656 PolarHBondContact O-N 2.95Å; L654-T657 PolarHBondContact O-N 3.33Å; L654-M658 HydrophobicContact CD1-CG 4.37Å; L654-M658 WeakPolarHBondContact O-CG 3.48Å; L654-M658 PolarHBondContact O-N 2.95Å
655	W	96.9	Very high	91	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.008	24%	0.238	C	C	.	.	H	α-helix	trans	-69.4	-31.8	-176.8	-80.7	94.6	0	0	0	113.2	L448 A590 L593 T597 V651 Y652 M658 A659 L666 L669 M670 I673	L448-W655 HydrophobicContact CD1-CH2 4.42Å; L448-W655 HydrophobicContact CD2-CH2 4.17Å; L448-W655 HydrophobicContact CD2-CZ3 3.99Å; A590-W655 HydrophobicContact CB-CZ2 4.28Å; A590-W655 WeakPolarHBondContact O-CZ2 3.43Å; L593-W655 PolarHBondContact O-NE1 2.68Å; T597-W655 HydrophobicContact CG2-CD2 3.69Å; T597-W655 HydrophobicContact CG2-CE3 4.24Å; T597-W655 HydrophobicContact CG2-CG 4.08Å; T597-W655 HydrophobicContact CG2-CH2 4.22Å; T597-W655 HydrophobicContact CG2-CZ2 3.65Å; T597-W655 HydrophobicContact CG2-CZ3 4.49Å; V651-W655 VanDerWaalsContact CG1-CD1 3.43Å; V651-W655 HydrophobicContact CG1-CG 4.46Å; V651-W655 WeakPolarHBondContact O-CB 3.37Å; V651-W655 VanDerWaalsContact O-CD1 3.29Å; V651-W655 PolarHBondContact O-N 3.17Å; Y652-W655 PolarHBondContact O-N 3.41Å; W655-M658 PolarHBondContact O-N 3.49Å; W655-A659 VanDerWaalsContact O-CB 3.26Å; W655-A659 WeakPolarHBondContact O-CB 3.32Å; W655-A659 PolarHBondContact O-N 3.43Å; W655-L666 HydrophobicContact CE3-CD1 4.17Å; W655-L666 HydrophobicContact CZ3-CD1 4.08Å; W655-L669 HydrophobicContact CE3-CD1 4.34Å; W655-L669 HydrophobicContact CH2-CD1 3.86Å; W655-L669 HydrophobicContact CZ3-CB 4.45Å; W655-L669 HydrophobicContact CZ3-CD1 3.46Å; W655-L669 VanDerWaalsContact CZ3-CD1 3.46Å; W655-M670 HydrophobicContact CB-SD 3.7Å; W655-I673 HydrophobicContact CB-CD1 3.48Å; W655-I673 VanDerWaalsContact CB-CD1 3.48Å; W655-I673 HydrophobicContact CD2-CD1 4.4Å; W655-I673 HydrophobicContact CG-CD1 3.69Å
656	E	95.7	Very high	91.2	Very high	83 Å²	83	44.5 Å²	44.5	39%	0.388	23%	0.228	S	C	.	.	H	α-helix	trans	-60.1	-47.6	170.6	-178.7	177.2	-116.4	0	0	110.2	Y652 L654 M658 A659 E660 M670	Y652-E656 HydrophobicContact CD1-CB 4.4Å; Y652-E656 HydrophobicContact CE1-CB 4.14Å; Y652-E656 HydrophobicContact CE1-CG 4.39Å; Y652-E656 WeakPolarHBondContact CE1-OE1 3.48Å; Y652-E656 WeakPolarHBondContact O-CB 3.3Å; Y652-E656 PolarHBondContact O-N 2.85Å; Y652-E656 PolarHBondContact OH-OE1 3.48Å; L654-E656 PolarHBondContact O-N 2.95Å; E656-M658 PolarHBondContact O-N 3.44Å; E656-A659 PolarHBondContact O-N 2.92Å; E656-E660 WeakPolarHBondContact O-CG 3.34Å; E656-E660 PolarHBondContact O-N 3.03Å; E656-M670 HydrophobicContact CB-CE 3.99Å
657	T	94	Very high	91.2	Very high	4 Å²	4	47 Å²	47	3%	0.025	24%	0.241	C	C	.	.	H	α-helix	trans	-65.8	-39.6	178.1	-48.2	0	0	0	0	111.4	L557 K558 V561 P653 L654 A659 E660 L661	L557-T657 HydrophobicContact CB-CG2 4.27Å; L557-T657 HydrophobicContact CD2-CG2 3.76Å; L557-T657 HydrophobicContact CG-CG2 3.63Å; K558-T657 HydrophobicContact CB-CG2 4.34Å; K558-T657 HydrophobicContact CG-CG2 3.59Å; V561-T657 HydrophobicContact CG2-CG2 4.11Å; P653-T657 PolarHBondContact O-N 3.39Å; P653-T657 PolarHBondContact O-OG1 2.89Å; L654-T657 PolarHBondContact O-N 3.33Å; T657-A659 VanDerWaalsContact C-N 3.35Å; T657-A659 PolarHBondContact O-N 3.42Å; T657-E660 PolarHBondContact O-N 3.39Å; T657-L661 PolarHBondContact O-N 2.88Å
658	M	93.3	Very high	91.1	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-62.9	-38.8	173.1	-73.2	-66.1	-73.7	0	0	112.3	L448 L557 C586 I587 A590 L654 W655 E656 E660 L661 L662 L666	L448-M658 HydrophobicContact CD1-CE 4.35Å; L448-M658 HydrophobicContact CD2-CE 4.42Å; L557-M658 HydrophobicContact CD1-SD 4.04Å; L557-M658 HydrophobicContact CD2-CG 3.84Å; L557-M658 HydrophobicContact CD2-SD 3.64Å; C586-M658 HydrophobicContact CB-SD 4.3Å; I587-M658 HydrophobicContact CG1-CE 4.01Å; A590-M658 HydrophobicContact CB-CE 4.15Å; A590-M658 HydrophobicContact CB-CG 4.1Å; L654-M658 HydrophobicContact CD1-CG 4.37Å; L654-M658 WeakPolarHBondContact O-CG 3.48Å; L654-M658 PolarHBondContact O-N 2.95Å; W655-M658 PolarHBondContact O-N 3.49Å; E656-M658 PolarHBondContact O-N 3.44Å; M658-E660 VanDerWaalsContact C-N 3.34Å; M658-L661 WeakPolarHBondContact O-CB 3.21Å; M658-L661 PolarHBondContact O-N 3.16Å; M658-L661 HydrophobicContact SD-CD2 4.41Å; M658-L662 HydrophobicContact CE-CD1 4.19Å; M658-L662 WeakPolarHBondContact O-CB 3.31Å; M658-L662 PolarHBondContact O-N 3.38Å; M658-L666 HydrophobicContact CB-CD1 3.91Å
659	A	92.6	Very high	91.2	Very high	20 Å²	20	48.9 Å²	48.9	17%	0.165	25%	0.253	C	S	.	.	H	α-helix	trans	-68.8	-33.7	178	0	0	0	0	0	111.9	W655 E656 T657 H663 L666 M670	W655-A659 VanDerWaalsContact O-CB 3.26Å; W655-A659 WeakPolarHBondContact O-CB 3.32Å; W655-A659 PolarHBondContact O-N 3.43Å; E656-A659 PolarHBondContact O-N 2.92Å; T657-A659 VanDerWaalsContact C-N 3.35Å; T657-A659 PolarHBondContact O-N 3.42Å; A659-H663 VanDerWaalsContact O-CA 3.3Å; A659-H663 WeakPolarHBondContact O-CA 3.47Å; A659-H663 WeakPolarHBondContact O-CB 3.49Å; A659-H663 PolarHBondContact O-N 3.28Å; A659-L666 HydrophobicContact CB-CB 4.12Å; A659-L666 HydrophobicContact CB-CD1 4.46Å; A659-M670 HydrophobicContact CB-CG 3.76Å; A659-M670 HydrophobicContact CB-SD 4.11Å
660	E	90.3	Very high	91.5	Very high	98 Å²	98	41.2 Å²	41.2	46%	0.458	22%	0.224	S	C	.	.	H	α-helix	trans	-65.9	-41.5	170.3	-67.1	-166.9	151.9	0	0	112.1	V561 K565 E656 T657 M658	V561-E660 HydrophobicContact CG1-CB 3.9Å; V561-E660 WeakPolarHBondContact CG1-OE2 3.25Å; K565-E660 IonicContact NZ-OE1 3.24Å; K565-E660 PolarHBondContact NZ-OE1 3.18Å; K565-E660 IonicContact NZ-OE2 2.66Å; K565-E660 PolarHBondContact NZ-OE2 3.33Å; E656-E660 WeakPolarHBondContact O-CG 3.34Å; E656-E660 PolarHBondContact O-N 3.03Å; T657-E660 PolarHBondContact O-N 3.39Å; M658-E660 VanDerWaalsContact C-N 3.34Å
661	L	86.8	Confident	91.7	Very high	7 Å²	7	42.6 Å²	42.6	4%	0.037	23%	0.231	C	C	.	.	H	α-helix	trans	-63.7	-44.7	176.2	177.3	63.1	0	0	0	112	L557 V561 I572 I583 T657 M658	L557-L661 HydrophobicContact CD1-CD2 3.68Å; V561-L661 HydrophobicContact CG2-CB 3.74Å; V561-L661 HydrophobicContact CG2-CD1 4.26Å; I572-L661 HydrophobicContact CD1-CD1 4.02Å; I572-L661 HydrophobicContact CD1-CG 4.5Å; I572-L661 HydrophobicContact CG2-CD1 4.43Å; I583-L661 HydrophobicContact CD1-CD2 3.81Å; I583-L661 HydrophobicContact CG2-CD2 4.33Å; T657-L661 PolarHBondContact O-N 2.88Å; M658-L661 WeakPolarHBondContact O-CB 3.21Å; M658-L661 PolarHBondContact O-N 3.16Å; M658-L661 HydrophobicContact SD-CD2 4.41Å
662	L	86.2	Confident	91.7	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	20.4	-171.8	-59	-172.9	0	0	0	113.3	L448 C451 L454 I572 M658 G665 L666	L448-L662 HydrophobicContact CD2-CD1 4.12Å; C451-L662 HydrophobicContact CB-CD1 4.42Å; L454-L662 HydrophobicContact CD1-CD1 3.93Å; L454-L662 HydrophobicContact CD1-CD2 3.82Å; L454-L662 HydrophobicContact CD2-CD2 3.78Å; L454-L662 HydrophobicContact CG-CD1 4.5Å; L454-L662 HydrophobicContact CG-CD2 3.53Å; I572-L662 HydrophobicContact CD1-CD2 4.38Å; M658-L662 HydrophobicContact CE-CD1 4.19Å; M658-L662 WeakPolarHBondContact O-CB 3.31Å; M658-L662 PolarHBondContact O-N 3.38Å; L662-G665 PolarHBondContact O-N 3.03Å; L662-L666 HydrophobicContact CB-CD1 4.09Å; L662-L666 HydrophobicContact CB-CG 4.01Å; L662-L666 HydrophobicContact CD1-CD1 4.12Å; L662-L666 HydrophobicContact CD1-CD2 4.39Å; L662-L666 HydrophobicContact CD1-CG 4.46Å; L662-L666 HydrophobicContact CG-CD1 4.5Å
663	H	82.1	Confident	91.8	Very high	134 Å²	134	40.5 Å²	40.5	62%	0.62	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	134.7	-177.7	176.1	-88.3	0	0	0	111.9	A659	A659-H663 VanDerWaalsContact O-CA 3.3Å; A659-H663 WeakPolarHBondContact O-CA 3.47Å; A659-H663 WeakPolarHBondContact O-CB 3.49Å; A659-H663 PolarHBondContact O-N 3.28Å
664	P	80.8	Confident	91.9	Very high	97 Å²	97	41.7 Å²	41.7	63%	0.63	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	cis	-96.2	18.7	0.8	37.7	-35.7	0	0	0	114.5	L666	P664-L666 VanDerWaalsContact C-N 3.33Å; P664-L666 PolarHBondContact O-N 3.46Å
665	G	82.6	Confident	92	Very high	48 Å²	48	46.2 Å²	46.2	50%	0.495	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-22.7	-164.3	0	0	0	0	0	116.7	L662	L662-G665 PolarHBondContact O-N 3.03Å
666	L	89.8	Confident	92.1	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.021	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	8.5	-170	-52.1	-172.8	0	0	0	115	L448 C451 W655 M658 A659 L662 P664 V668 L669 M670	L448-L666 HydrophobicContact CD2-CD1 4.19Å; L448-L666 HydrophobicContact CD2-CD2 3.73Å; C451-L666 VanDerWaalsContact SG-CD2 3.56Å; W655-L666 HydrophobicContact CE3-CD1 4.17Å; W655-L666 HydrophobicContact CZ3-CD1 4.08Å; M658-L666 HydrophobicContact CB-CD1 3.91Å; A659-L666 HydrophobicContact CB-CB 4.12Å; A659-L666 HydrophobicContact CB-CD1 4.46Å; L662-L666 HydrophobicContact CB-CD1 4.09Å; L662-L666 HydrophobicContact CB-CG 4.01Å; L662-L666 HydrophobicContact CD1-CD1 4.12Å; L662-L666 HydrophobicContact CD1-CD2 4.39Å; L662-L666 HydrophobicContact CD1-CG 4.46Å; L662-L666 HydrophobicContact CG-CD1 4.5Å; P664-L666 VanDerWaalsContact C-N 3.33Å; P664-L666 PolarHBondContact O-N 3.46Å; L666-V668 VanDerWaalsContact C-N 3.28Å; L666-V668 PolarHBondContact O-N 2.98Å; L666-L669 HydrophobicContact CD2-CD1 4.13Å; L666-L669 WeakPolarHBondContact O-CB 3.4Å; L666-L669 PolarHBondContact O-N 3.44Å; L666-M670 PolarHBondContact O-N 3.09Å; L666-M670 VanDerWaalsContact O-N 3.11Å
667	Q	91.5	Very high	92.2	Very high	110 Å²	110	45.8 Å²	45.8	51%	0.514	25%	0.252	S	S	.	.	H	α-helix	trans	-56.6	-41.4	-173.5	-172.1	61.2	52	0	0	112.9	L669 M670 D671	Q667-L669 VanDerWaalsContact C-N 3.28Å; Q667-L669 PolarHBondContact O-N 2.99Å; Q667-M670 PolarHBondContact O-N 2.97Å; Q667-D671 PolarHBondContact NE2-OD1 3.47Å; Q667-D671 PolarHBondContact O-N 3.35Å
668	V	92.8	Very high	92.3	Very high	79 Å²	79	48.8 Å²	48.8	48%	0.479	27%	0.268	S	S	.	.	H	α-helix	trans	-61.2	-37.1	178.9	179.1	0	0	0	0	111.8	L375 L666 N672	L375-V668 HydrophobicContact CD1-CB 4.18Å; L375-V668 HydrophobicContact CD1-CG1 3.81Å; L666-V668 VanDerWaalsContact C-N 3.28Å; L666-V668 PolarHBondContact O-N 2.98Å; V668-N672 PolarHBondContact O-N 3.12Å
669	L	94.4	Very high	92.6	Very high	13 Å²	13	53.2 Å²	53.2	7%	0.068	29%	0.285	C	S	.	.	H	α-helix	trans	-69.8	-41.4	177.8	-60.5	-176.8	0	0	0	110.9	W655 L666 Q667 N672 I673	W655-L669 HydrophobicContact CE3-CD1 4.34Å; W655-L669 HydrophobicContact CH2-CD1 3.86Å; W655-L669 HydrophobicContact CZ3-CB 4.45Å; W655-L669 HydrophobicContact CZ3-CD1 3.46Å; W655-L669 VanDerWaalsContact CZ3-CD1 3.46Å; L666-L669 HydrophobicContact CD2-CD1 4.13Å; L666-L669 WeakPolarHBondContact O-CB 3.4Å; L666-L669 PolarHBondContact O-N 3.44Å; Q667-L669 VanDerWaalsContact C-N 3.28Å; Q667-L669 PolarHBondContact O-N 2.99Å; L669-N672 WeakPolarHBondContact O-CB 3.47Å; L669-N672 PolarHBondContact O-N 2.95Å; L669-I673 WeakPolarHBondContact O-CG1 3.33Å; L669-I673 PolarHBondContact O-N 2.98Å
670	M	95.8	Very high	92.8	Very high	14 Å²	14	52.6 Å²	52.6	7%	0.069	28%	0.278	C	S	.	.	H	α-helix	trans	-63.4	-40.2	175	-67.5	-56.3	-62.1	0	0	112.7	Y652 W655 E656 A659 L666 Q667 N672 I673 T674	Y652-M670 HydrophobicContact CD2-CE 4.16Å; Y652-M670 HydrophobicContact CE2-CE 3.78Å; W655-M670 HydrophobicContact CB-SD 3.7Å; E656-M670 HydrophobicContact CB-CE 3.99Å; A659-M670 HydrophobicContact CB-CG 3.76Å; A659-M670 HydrophobicContact CB-SD 4.11Å; L666-M670 PolarHBondContact O-N 3.09Å; L666-M670 VanDerWaalsContact O-N 3.11Å; Q667-M670 PolarHBondContact O-N 2.97Å; M670-N672 VanDerWaalsContact C-N 3.32Å; M670-I673 PolarHBondContact O-N 3.28Å; M670-I673 HydrophobicContact SD-CD1 3.98Å; M670-T674 PolarHBondContact O-N 2.95Å; M670-T674 PolarHBondContact O-OG1 3.15Å
671	D	96.3	Very high	93.1	Very high	72 Å²	72	49.4 Å²	49.4	39%	0.385	27%	0.265	S	S	.	.	H	α-helix	trans	-62.8	-42.2	175.6	-65.1	-15	0	0	0	110.3	Q667 T674 N675	Q667-D671 PolarHBondContact NE2-OD1 3.47Å; Q667-D671 PolarHBondContact O-N 3.35Å; D671-T674 PolarHBondContact O-N 3.46Å; D671-N675 WeakPolarHBondContact O-CB 3.38Å; D671-N675 PolarHBondContact O-N 2.94Å; D671-N675 PolarHBondContact O-ND2 3.04Å
672	N	96.7	Very high	93.5	Very high	35 Å²	35	55.1 Å²	55.1	19%	0.187	29%	0.29	C	S	.	.	H	α-helix	trans	-62.3	-45.3	175	-75.3	-15.1	0	0	0	112.6	T597 V668 L669 M670 T674 N675 N676	T597-N672 WeakPolarHBondContact O-CB 3.15Å; T597-N672 PolarHBondContact O-ND2 3.47Å; V668-N672 PolarHBondContact O-N 3.12Å; L669-N672 WeakPolarHBondContact O-CB 3.47Å; L669-N672 PolarHBondContact O-N 2.95Å; M670-N672 VanDerWaalsContact C-N 3.32Å; N672-T674 VanDerWaalsContact C-N 3.3Å; N672-T674 PolarHBondContact O-N 3.14Å; N672-N675 PolarHBondContact O-N 3.45Å; N672-N676 VanDerWaalsContact O-CB 3.23Å; N672-N676 WeakPolarHBondContact O-CB 3.48Å; N672-N676 PolarHBondContact O-N 2.95Å; N672-N676 PolarHBondContact O-ND2 3.24Å
673	I	97.5	Very high	94	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-55.9	-48.8	175.9	-64	167.3	0	0	0	110	P596 T597 I647 V651 Y652 W655 L669 M670 N675 N676 R677	P596-I673 WeakPolarHBondContact O-CA 3.4Å; T597-I673 HydrophobicContact CG2-CD1 3.7Å; T597-I673 HydrophobicContact CG2-CG1 3.69Å; I647-I673 HydrophobicContact CG2-CG2 3.6Å; V651-I673 HydrophobicContact CG1-CD1 4.36Å; Y652-I673 HydrophobicContact CD2-CG2 3.99Å; W655-I673 HydrophobicContact CB-CD1 3.48Å; W655-I673 VanDerWaalsContact CB-CD1 3.48Å; W655-I673 HydrophobicContact CD2-CD1 4.4Å; W655-I673 HydrophobicContact CG-CD1 3.69Å; L669-I673 WeakPolarHBondContact O-CG1 3.33Å; L669-I673 PolarHBondContact O-N 2.98Å; M670-I673 PolarHBondContact O-N 3.28Å; M670-I673 HydrophobicContact SD-CD1 3.98Å; I673-N675 PolarHBondContact O-N 3.38Å; I673-N676 PolarHBondContact O-N 3.1Å; I673-R677 VanDerWaalsContact O-CB 3.28Å; I673-R677 WeakPolarHBondContact O-CB 3.47Å; I673-R677 PolarHBondContact O-N 2.9Å
674	T	97.7	Very high	94.5	Very high	52 Å²	52	51.7 Å²	51.7	32%	0.319	28%	0.275	S	S	.	.	H	α-helix	trans	-62.8	-45.2	-178.8	-56.1	0	0	0	0	111.4	M670 D671 N672 N678	M670-T674 PolarHBondContact O-N 2.95Å; M670-T674 PolarHBondContact O-OG1 3.15Å; D671-T674 PolarHBondContact O-N 3.46Å; N672-T674 VanDerWaalsContact C-N 3.3Å; N672-T674 PolarHBondContact O-N 3.14Å; T674-N678 WeakPolarHBondContact O-CB 3.36Å; T674-N678 PolarHBondContact O-N 3.26Å; T674-N678 PolarHBondContact O-ND2 2.84Å; T674-N678 VanDerWaalsContact O-ND2 3.15Å
675	N	98	Very high	95.1	Very high	97 Å²	97	52.2 Å²	52.2	52%	0.519	27%	0.269	S	S	.	.	H	α-helix	trans	-64.7	-45	178.6	-71.4	-30.3	0	0	0	111.9	D671 N672 I673 N678 W679	D671-N675 WeakPolarHBondContact O-CB 3.38Å; D671-N675 PolarHBondContact O-N 2.94Å; D671-N675 PolarHBondContact O-ND2 3.04Å; N672-N675 PolarHBondContact O-N 3.45Å; I673-N675 PolarHBondContact O-N 3.38Å; N675-N678 PolarHBondContact O-N 3.32Å; N675-W679 WeakPolarHBondContact O-CB 3.32Å; N675-W679 PolarHBondContact O-N 3.48Å
676	N	98.3	Very high	95.6	Very high	5 Å²	5	55.7 Å²	55.7	3%	0.027	27%	0.272	C	S	.	.	H	α-helix	trans	-63.7	-47.5	178.4	-72.3	-17.4	0	0	0	110.9	P596 K598 L600 Y603 N672 I673 N678 W679 Y680	P596-N676 PolarHBondContact O-ND2 3.45Å; K598-N676 PolarHBondContact O-ND2 3.5Å; L600-N676 WeakPolarHBondContact CA-OD1 3.28Å; L600-N676 WeakPolarHBondContact CB-OD1 3.33Å; L600-N676 PolarHBondContact N-OD1 2.98Å; Y603-N676 HydrophobicContact CD1-CB 3.77Å; Y603-N676 HydrophobicContact CE1-CB 3.96Å; N672-N676 VanDerWaalsContact O-CB 3.23Å; N672-N676 WeakPolarHBondContact O-CB 3.48Å; N672-N676 PolarHBondContact O-N 2.95Å; N672-N676 PolarHBondContact O-ND2 3.24Å; I673-N676 PolarHBondContact O-N 3.1Å; N676-N678 VanDerWaalsContact C-N 3.34Å; N676-N678 PolarHBondContact O-N 2.81Å; N676-W679 WeakPolarHBondContact O-CB 3.46Å; N676-W679 PolarHBondContact O-N 2.9Å; N676-W679 VanDerWaalsContact O-N 3.13Å; N676-Y680 VanDerWaalsContact O-CD2 3.31Å; N676-Y680 WeakPolarHBondContact O-CD2 3.24Å; N676-Y680 PolarHBondContact O-N 2.76Å
677	R	97.9	Very high	95.6	Very high	71 Å²	71	59 Å²	59	27%	0.268	29%	0.287	S	S	.	.	H	α-helix	trans	-54.5	-50.5	174.5	-172.4	-140.9	179.7	-103.1	-7.5	111.5	I647 D648 I673 W679 Y680 V681	I647-R677 HydrophobicContact CB-CG 4.42Å; I647-R677 HydrophobicContact CD1-CB 3.9Å; I647-R677 HydrophobicContact CD1-CG 4.38Å; I647-R677 HydrophobicContact CG2-CB 4.03Å; I647-R677 HydrophobicContact CG2-CG 4.01Å; D648-R677 IonicContact OD1-CZ 3.13Å; D648-R677 IonicContact OD1-NE 2.64Å; D648-R677 PolarHBondContact OD1-NE 3.5Å; D648-R677 IonicContact OD1-NH2 3.78Å; D648-R677 PolarHBondContact OD1-NH2 3.01Å; D648-R677 IonicContact OD2-CZ 3.25Å; D648-R677 IonicContact OD2-NE 3.58Å; D648-R677 IonicContact OD2-NH2 3.61Å; D648-R677 PolarHBondContact OD2-NH2 3.34Å; I673-R677 VanDerWaalsContact O-CB 3.28Å; I673-R677 WeakPolarHBondContact O-CB 3.47Å; I673-R677 PolarHBondContact O-N 2.9Å; R677-W679 VanDerWaalsContact C-N 3.25Å; R677-W679 PolarHBondContact O-N 3.46Å; R677-Y680 PolarHBondContact O-N 3.4Å; R677-V681 WeakPolarHBondContact O-CG2 3.34Å; R677-V681 PolarHBondContact O-N 3.31Å
678	N	97.8	Very high	95.5	Very high	67 Å²	67	58.3 Å²	58.3	36%	0.358	28%	0.284	S	S	.	.	H	α-helix	trans	-63.4	-32.8	179.9	-70.5	-22.3	0	0	0	112.3	T674 N675 N676 K682	T674-N678 WeakPolarHBondContact O-CB 3.36Å; T674-N678 PolarHBondContact O-N 3.26Å; T674-N678 PolarHBondContact O-ND2 2.84Å; T674-N678 VanDerWaalsContact O-ND2 3.15Å; N675-N678 PolarHBondContact O-N 3.32Å; N676-N678 VanDerWaalsContact C-N 3.34Å; N676-N678 PolarHBondContact O-N 2.81Å; N678-K682 WeakPolarHBondContact O-CG 3.42Å; N678-K682 PolarHBondContact O-N 3.04Å; N678-K682 VanDerWaalsContact O-N 3.11Å
679	W	98.2	Very high	95.4	Very high	94 Å²	94	59.9 Å²	59.9	36%	0.356	29%	0.286	S	S	.	.	H	α-helix	trans	-64.6	-47.9	173.1	-174.5	89.4	0	0	0	111.4	L600 Q604 Y640 N675 N676 R677 V681 K682 A683	L600-W679 HydrophobicContact CD1-CB 4.26Å; L600-W679 HydrophobicContact CD1-CD2 3.84Å; L600-W679 HydrophobicContact CD1-CE3 3.81Å; L600-W679 HydrophobicContact CD1-CG 4.02Å; L600-W679 HydrophobicContact CD2-CB 4.24Å; L600-W679 VanDerWaalsContact CD2-CD1 3.48Å; L600-W679 HydrophobicContact CD2-CD2 3.68Å; L600-W679 HydrophobicContact CD2-CE3 4.45Å; L600-W679 HydrophobicContact CD2-CG 3.52Å; L600-W679 HydrophobicContact CG-CD2 4.36Å; L600-W679 HydrophobicContact CG-CG 4.43Å; Q604-W679 VanDerWaalsContact NE2-CZ2 3.25Å; Y640-W679 HydrophobicContact CE1-CH2 4.48Å; Y640-W679 HydrophobicContact CE1-CZ3 4.32Å; N675-W679 WeakPolarHBondContact O-CB 3.32Å; N675-W679 PolarHBondContact O-N 3.48Å; N676-W679 WeakPolarHBondContact O-CB 3.46Å; N676-W679 PolarHBondContact O-N 2.9Å; N676-W679 VanDerWaalsContact O-N 3.13Å; R677-W679 VanDerWaalsContact C-N 3.25Å; R677-W679 PolarHBondContact O-N 3.46Å; W679-V681 VanDerWaalsContact C-N 3.33Å; W679-V681 PolarHBondContact O-N 2.9Å; W679-K682 PolarHBondContact O-N 3.42Å; W679-A683 HydrophobicContact CE3-CB 4.32Å; W679-A683 HydrophobicContact CH2-CB 4Å; W679-A683 HydrophobicContact CZ2-CB 4.31Å; W679-A683 HydrophobicContact CZ3-CB 4.03Å; W679-A683 WeakPolarHBondContact O-CB 3.44Å; W679-A683 PolarHBondContact O-N 2.95Å
680	Y	96.6	Very high	95	Very high	7 Å²	7	65.3 Å²	65.3	3%	0.027	31%	0.311	C	S	.	.	H	α-helix	trans	-63.5	-35.5	177.4	-82.7	-82.5	0	0	0	112.9	L600 Y603 V607 Y640 Q643 N676 R677 K684	L600-Y680 HydrophobicContact CD1-CE2 4.38Å; Y603-Y680 AromaticContact CD1-CE2 3.71Å; Y603-Y680 HydrophobicContact CD1-CE2 3.71Å; Y603-Y680 AromaticContact CE1-CD2 3.93Å; Y603-Y680 HydrophobicContact CE1-CD2 3.93Å; Y603-Y680 AromaticContact CE1-CE2 3.32Å; Y603-Y680 HydrophobicContact CE1-CE2 3.32Å; V607-Y680 WeakPolarHBondContact CG2-OH 3.36Å; Y640-Y680 AromaticContact CD1-CD1 3.62Å; Y640-Y680 HydrophobicContact CD1-CD1 3.62Å; Y640-Y680 HydrophobicContact CD1-CE1 4.25Å; Y640-Y680 HydrophobicContact CE1-CD1 4.33Å; Y640-Y680 HydrophobicContact CG-CD1 4.47Å; Q643-Y680 HydrophobicContact CB-CD1 3.9Å; Q643-Y680 HydrophobicContact CB-CD2 4.34Å; Q643-Y680 HydrophobicContact CB-CE1 4.08Å; Q643-Y680 HydrophobicContact CB-CE2 4.5Å; Q643-Y680 HydrophobicContact CB-CG 4.08Å; Q643-Y680 HydrophobicContact CG-CD1 4.18Å; Q643-Y680 HydrophobicContact CG-CE1 3.86Å; N676-Y680 VanDerWaalsContact O-CD2 3.31Å; N676-Y680 WeakPolarHBondContact O-CD2 3.24Å; N676-Y680 PolarHBondContact O-N 2.76Å; R677-Y680 PolarHBondContact O-N 3.4Å; Y680-K684 WeakPolarHBondContact O-CB 3.31Å; Y680-K684 PolarHBondContact O-N 3.04Å
681	V	96.6	Very high	94.5	Very high	31 Å²	31	70 Å²	70	19%	0.188	33%	0.333	C	S	.	.	H	α-helix	trans	-61.6	-50.5	172.9	172.4	0	0	0	0	111	I644 R677 W679 A683 K684 E685	I644-V681 HydrophobicContact CD1-CB 4.4Å; I644-V681 HydrophobicContact CD1-CG2 3.78Å; I644-V681 HydrophobicContact CG1-CG2 3.94Å; I644-V681 HydrophobicContact CG2-CG2 4.36Å; R677-V681 WeakPolarHBondContact O-CG2 3.34Å; R677-V681 PolarHBondContact O-N 3.31Å; W679-V681 VanDerWaalsContact C-N 3.33Å; W679-V681 PolarHBondContact O-N 2.9Å; V681-A683 PolarHBondContact O-N 3.15Å; V681-K684 WeakPolarHBondContact O-CB 3.47Å; V681-K684 PolarHBondContact O-N 2.92Å; V681-E685 WeakPolarHBondContact O-CG 3.47Å; V681-E685 PolarHBondContact O-N 3.5Å
682	K	96.7	Very high	94	Very high	126 Å²	126	70.4 Å²	70.4	55%	0.548	34%	0.338	S	S	.	.	H	α-helix	trans	-62.7	-43.2	178.9	-72.4	176.5	-179.8	-176.7	0	112.2	N678 W679 K684 E685 E686	N678-K682 WeakPolarHBondContact O-CG 3.42Å; N678-K682 PolarHBondContact O-N 3.04Å; N678-K682 VanDerWaalsContact O-N 3.11Å; W679-K682 PolarHBondContact O-N 3.42Å; K682-K684 VanDerWaalsContact C-N 3.29Å; K682-K684 PolarHBondContact O-N 3Å; K682-E685 PolarHBondContact O-N 3.36Å; K682-E686 WeakPolarHBondContact O-CB 3.46Å; K682-E686 WeakPolarHBondContact O-CG 3.27Å; K682-E686 PolarHBondContact O-N 2.98Å
683	A	95.2	Very high	93.5	Very high	9 Å²	9	73.9 Å²	73.9	7%	0.074	35%	0.351	C	S	.	.	H	α-helix	trans	-63.2	-36.5	179.2	0	0	0	0	0	112	Y640 W679 V681 E686 E687	Y640-A683 HydrophobicContact CD1-CB 3.72Å; Y640-A683 HydrophobicContact CE1-CB 3.38Å; W679-A683 HydrophobicContact CE3-CB 4.32Å; W679-A683 HydrophobicContact CH2-CB 4Å; W679-A683 HydrophobicContact CZ2-CB 4.31Å; W679-A683 HydrophobicContact CZ3-CB 4.03Å; W679-A683 WeakPolarHBondContact O-CB 3.44Å; W679-A683 PolarHBondContact O-N 2.95Å; V681-A683 PolarHBondContact O-N 3.15Å; A683-E686 PolarHBondContact O-N 3.24Å; A683-E687 PolarHBondContact O-N 3.32Å
684	K	93.6	Very high	92.7	Very high	55 Å²	55	79.1 Å²	79.1	24%	0.239	38%	0.376	C	S	.	.	H	α-helix	trans	-63.2	-47.9	171.8	-174.8	177.6	167	174.6	0	112.2	Y640 S641 I644 Y680 V681 K682 E686 E687 E688	Y640-K684 HydrophobicContact CG-CB 4.12Å; S641-K684 WeakPolarHBondContact OG-CE 3.43Å; S641-K684 PolarHBondContact OG-NZ 3.26Å; I644-K684 HydrophobicContact CD1-CD 4.16Å; Y680-K684 WeakPolarHBondContact O-CB 3.31Å; Y680-K684 PolarHBondContact O-N 3.04Å; V681-K684 WeakPolarHBondContact O-CB 3.47Å; V681-K684 PolarHBondContact O-N 2.92Å; K682-K684 VanDerWaalsContact C-N 3.29Å; K682-K684 PolarHBondContact O-N 3Å; K684-E686 VanDerWaalsContact C-N 3.3Å; K684-E686 PolarHBondContact O-N 3.11Å; K684-E687 PolarHBondContact O-N 3.34Å; K684-E688 WeakPolarHBondContact CE-OE1 3.48Å; K684-E688 IonicContact NZ-OE1 3.46Å; K684-E688 WeakPolarHBondContact O-CG 3.47Å; K684-E688 PolarHBondContact O-N 3.12Å
685	E	94.1	Very high	91.8	Very high	107 Å²	107	82.5 Å²	82.5	50%	0.5	39%	0.388	S	S	.	.	H	α-helix	trans	-61.1	-40.1	178.1	-69.6	171	175.2	0	0	111.2	V681 K682 E689	V681-E685 WeakPolarHBondContact O-CG 3.47Å; V681-E685 PolarHBondContact O-N 3.5Å; K682-E685 PolarHBondContact O-N 3.36Å; E685-E689 WeakPolarHBondContact O-CB 3.46Å; E685-E689 WeakPolarHBondContact O-CG 3.37Å; E685-E689 PolarHBondContact O-N 3.02Å
686	E	93	Very high	91	Very high	122 Å²	122	82 Å²	82	57%	0.57	39%	0.385	S	S	*	.	H	α-helix	trans	-64.3	-42.4	175.8	-73.4	171.9	-171.9	0	0	112.3	K682 A683 K684 E689 E690	K682-E686 WeakPolarHBondContact O-CB 3.46Å; K682-E686 WeakPolarHBondContact O-CG 3.27Å; K682-E686 PolarHBondContact O-N 2.98Å; A683-E686 PolarHBondContact O-N 3.24Å; K684-E686 VanDerWaalsContact C-N 3.3Å; K684-E686 PolarHBondContact O-N 3.11Å; E686-E689 PolarHBondContact O-N 3.18Å; E686-E690 WeakPolarHBondContact O-CG 3.49Å; E686-E690 PolarHBondContact O-N 3.46Å
687	E	89.5	Confident	90.1	Very high	73 Å²	73	88.9 Å²	88.9	34%	0.341	42%	0.415	S	S	.	.	H	α-helix	trans	-63.6	-47.7	175.7	-176.8	175.5	-119.3	0	0	111.8	Y640 A683 K684 E689 E690 E691	Y640-E687 WeakPolarHBondContact CD2-OE2 3.41Å; Y640-E687 HydrophobicContact CE2-CB 4.45Å; Y640-E687 VanDerWaalsContact CE2-CD 3.49Å; Y640-E687 WeakPolarHBondContact CE2-OE2 3.44Å; A683-E687 PolarHBondContact O-N 3.32Å; K684-E687 PolarHBondContact O-N 3.34Å; E687-E689 VanDerWaalsContact C-N 3.3Å; E687-E689 PolarHBondContact O-N 3.05Å; E687-E690 PolarHBondContact O-N 3.41Å; E687-E690 VanDerWaalsContact O-N 3.1Å; E687-E691 WeakPolarHBondContact O-CG 3.45Å; E687-E691 PolarHBondContact O-N 3.34Å
688	E	89	Confident	89	Confident	95 Å²	95	91.7 Å²	91.7	44%	0.444	43%	0.429	S	S	.	.	H	α-helix	trans	-61.1	-38.3	176.8	-71	176.1	179.7	0	0	111.6	K684 V692	K684-E688 WeakPolarHBondContact CE-OE1 3.48Å; K684-E688 IonicContact NZ-OE1 3.46Å; K684-E688 WeakPolarHBondContact O-CG 3.47Å; K684-E688 PolarHBondContact O-N 3.12Å; E688-V692 VanDerWaalsContact O-CG2 3.29Å; E688-V692 WeakPolarHBondContact O-CG2 3.37Å; E688-V692 PolarHBondContact O-N 2.9Å; E688-V692 VanDerWaalsContact O-N 3.14Å
689	E	89.9	Confident	87.9	Confident	112 Å²	112	92.7 Å²	92.7	52%	0.523	44%	0.435	S	S	.	.	H	α-helix	trans	-65.6	-37.3	173.8	-82.5	-167	-163.2	0	0	113.3	E685 E686 E687 K693	E685-E689 WeakPolarHBondContact O-CB 3.46Å; E685-E689 WeakPolarHBondContact O-CG 3.37Å; E685-E689 PolarHBondContact O-N 3.02Å; E686-E689 PolarHBondContact O-N 3.18Å; E687-E689 VanDerWaalsContact C-N 3.3Å; E687-E689 PolarHBondContact O-N 3.05Å; E689-K693 WeakPolarHBondContact O-CB 3.16Å; E689-K693 WeakPolarHBondContact O-CD 3.39Å; E689-K693 WeakPolarHBondContact O-CG 3.45Å; E689-K693 PolarHBondContact O-N 3.4Å; E689-K693 IonicContact OE2-NZ 3.3Å; E689-K693 PolarHBondContact OE2-NZ 3.3Å
690	E	87.7	Confident	86.6	Confident	128 Å²	128	93.1 Å²	93.1	60%	0.598	44%	0.444	S	S	*	.	H	α-helix	trans	-68.9	-43.8	177.6	-76.3	-173	173.6	0	0	111.5	E686 E687 V692 K693 E694	E686-E690 WeakPolarHBondContact O-CG 3.49Å; E686-E690 PolarHBondContact O-N 3.46Å; E687-E690 PolarHBondContact O-N 3.41Å; E687-E690 VanDerWaalsContact O-N 3.1Å; E690-V692 PolarHBondContact O-N 3.05Å; E690-K693 WeakPolarHBondContact O-CB 3.48Å; E690-K693 PolarHBondContact O-N 2.97Å; E690-K693 VanDerWaalsContact O-N 3.12Å; E690-E694 WeakPolarHBondContact O-CG 3.48Å; E690-E694 PolarHBondContact O-N 3.26Å
691	E	85.2	Confident	85.3	Confident	113 Å²	113	96.6 Å²	96.6	53%	0.528	47%	0.469	S	S	.	.	H	α-helix	trans	-58.2	-46.2	174.7	-71.2	-175.9	168.4	0	0	111.7	E687 K693 E694 E695	E687-E691 WeakPolarHBondContact O-CG 3.45Å; E687-E691 PolarHBondContact O-N 3.34Å; E691-K693 VanDerWaalsContact C-N 3.32Å; E691-K693 PolarHBondContact O-N 3.07Å; E691-E694 PolarHBondContact O-N 3.34Å; E691-E694 VanDerWaalsContact O-N 3.14Å; E691-E695 PolarHBondContact O-N 3.11Å
692	V	85.7	Confident	83.8	Confident	79 Å²	79	101.3 Å²	101.3	48%	0.479	49%	0.492	S	S	.	.	H	α-helix	trans	-63.5	-37.4	176.2	172.6	0	0	0	0	111.5	E688 E690 E694 N696	E688-V692 VanDerWaalsContact O-CG2 3.29Å; E688-V692 WeakPolarHBondContact O-CG2 3.37Å; E688-V692 PolarHBondContact O-N 2.9Å; E688-V692 VanDerWaalsContact O-N 3.14Å; E690-V692 PolarHBondContact O-N 3.05Å; V692-E694 VanDerWaalsContact C-N 3.34Å; V692-N696 WeakPolarHBondContact O-CB 3.3Å; V692-N696 VanDerWaalsContact O-CG 3.29Å; V692-N696 PolarHBondContact O-N 3.47Å; V692-N696 VanDerWaalsContact O-N 3.07Å; V692-N696 PolarHBondContact O-ND2 3.26Å
693	K	85.1	Confident	82	Confident	108 Å²	108	102 Å²	102	47%	0.47	50%	0.502	S	S	.	.	H	α-helix	trans	-66.9	-36.2	175	-74.4	163	-166.7	151.6	0	111.4	E689 E690 E691 K697	E689-K693 WeakPolarHBondContact O-CB 3.16Å; E689-K693 WeakPolarHBondContact O-CD 3.39Å; E689-K693 WeakPolarHBondContact O-CG 3.45Å; E689-K693 PolarHBondContact O-N 3.4Å; E689-K693 IonicContact OE2-NZ 3.3Å; E689-K693 PolarHBondContact OE2-NZ 3.3Å; E690-K693 WeakPolarHBondContact O-CB 3.48Å; E690-K693 PolarHBondContact O-N 2.97Å; E690-K693 VanDerWaalsContact O-N 3.12Å; E691-K693 VanDerWaalsContact C-N 3.32Å; E691-K693 PolarHBondContact O-N 3.07Å; K693-K697 WeakPolarHBondContact O-CG 3.48Å; K693-K697 PolarHBondContact O-N 3.35Å; K693-K697 VanDerWaalsContact O-N 3.13Å
694	E	81.4	Confident	79.8	Confident	110 Å²	110	112.1 Å²	112.1	51%	0.514	55%	0.548	S	S	.	.	H	α-helix	trans	-71.9	-42.6	176.7	-72.5	-163.3	168.3	0	0	113.1	E690 E691 V692 N696 K697 K698	E690-E694 WeakPolarHBondContact O-CG 3.48Å; E690-E694 PolarHBondContact O-N 3.26Å; E691-E694 PolarHBondContact O-N 3.34Å; E691-E694 VanDerWaalsContact O-N 3.14Å; V692-E694 VanDerWaalsContact C-N 3.34Å; E694-N696 VanDerWaalsContact C-N 3.34Å; E694-N696 PolarHBondContact O-N 2.96Å; E694-K697 PolarHBondContact O-N 3.03Å; E694-K698 WeakPolarHBondContact O-CG 3.44Å; E694-K698 PolarHBondContact O-N 3.46Å
695	E	78.5	Confident	79.1	Confident	123 Å²	123	115 Å²	115	58%	0.575	56%	0.563	S	S	*	*	H	α-helix	trans	-60.8	-43.5	174.1	-74.5	-168.3	158.9	0	0	111.5	E691 K697 K698 N699	E691-E695 PolarHBondContact O-N 3.11Å; E695-K697 VanDerWaalsContact C-N 3.32Å; E695-K697 PolarHBondContact O-N 3.22Å; E695-K698 PolarHBondContact O-N 2.93Å; E695-N699 PolarHBondContact O-N 3.46Å; E695-N699 PolarHBondContact O-ND2 2.93Å
696	N	80.5	Confident	78.3	Confident	86 Å²	86	115.4 Å²	115.4	46%	0.46	57%	0.566	S	S	.	*	H	α-helix	trans	-63.6	-35.5	175.5	-76.7	-46.5	0	0	0	112.5	V692 E694 N700	V692-N696 WeakPolarHBondContact O-CB 3.3Å; V692-N696 VanDerWaalsContact O-CG 3.29Å; V692-N696 PolarHBondContact O-N 3.47Å; V692-N696 VanDerWaalsContact O-N 3.07Å; V692-N696 PolarHBondContact O-ND2 3.26Å; E694-N696 VanDerWaalsContact C-N 3.34Å; E694-N696 PolarHBondContact O-N 2.96Å; N696-N700 WeakPolarHBondContact O-CB 3.38Å; N696-N700 PolarHBondContact O-N 3.17Å; N696-N700 PolarHBondContact O-ND2 2.93Å
697	K	79.3	Confident	77.5	Confident	150 Å²	150	115.1 Å²	115.1	65%	0.652	57%	0.566	S	S	*	*	H	α-helix	trans	-67.4	-40.3	173.2	-77.3	173.2	-176.5	171.2	0	111.9	K693 E694 E695 S701	K693-K697 WeakPolarHBondContact O-CG 3.48Å; K693-K697 PolarHBondContact O-N 3.35Å; K693-K697 VanDerWaalsContact O-N 3.13Å; E694-K697 PolarHBondContact O-N 3.03Å; E695-K697 VanDerWaalsContact C-N 3.32Å; E695-K697 PolarHBondContact O-N 3.22Å; K697-S701 WeakPolarHBondContact O-CB 3.47Å; K697-S701 PolarHBondContact O-N 2.79Å; K697-S701 VanDerWaalsContact O-N 3.07Å
698	K	75.5	Confident	76.8	Confident	131 Å²	131	117.5 Å²	117.5	57%	0.57	58%	0.579	S	S	*	*	H	α-helix	trans	-64.7	-45.7	176.4	-74.1	173.1	-176.1	163.1	0	111.3	E694 E695 S701 I702	E694-K698 WeakPolarHBondContact O-CG 3.44Å; E694-K698 PolarHBondContact O-N 3.46Å; E695-K698 PolarHBondContact O-N 2.93Å; K698-S701 PolarHBondContact O-N 3.38Å; K698-I702 WeakPolarHBondContact O-CG1 3.17Å; K698-I702 PolarHBondContact O-N 3.35Å; K698-I702 VanDerWaalsContact O-N 3.16Å
699	N	73.8	Confident	76.1	Confident	88 Å²	88	118.9 Å²	118.9	47%	0.471	59%	0.588	S	S	.	*	H	α-helix	trans	-63.2	-44.3	177.8	-69.2	-19.8	0	0	0	111.7	E695 S701 I702 D703	E695-N699 PolarHBondContact O-N 3.46Å; E695-N699 PolarHBondContact O-ND2 2.93Å; N699-S701 PolarHBondContact O-N 3.09Å; N699-I702 PolarHBondContact O-N 2.98Å; N699-I702 VanDerWaalsContact O-N 3.12Å; N699-D703 PolarHBondContact O-N 3.47Å
700	N	72.7	Confident	75.1	Confident	102 Å²	102	119.4 Å²	119.4	55%	0.545	59%	0.592	S	S	.	*	H	α-helix	trans	-66.4	-23.6	176.5	-73.5	-32	0	0	0	113.8	N696	N696-N700 WeakPolarHBondContact O-CB 3.38Å; N696-N700 PolarHBondContact O-N 3.17Å; N696-N700 PolarHBondContact O-ND2 2.93Å
701	S	68	Low	74.2	Confident	81 Å²	81	118.8 Å²	118.8	57%	0.566	59%	0.592	S	S	*	*	H	α-helix	trans	-83.8	-17	174.8	-173.2	0	0	0	0	113.3	K697 K698 N699	K697-S701 WeakPolarHBondContact O-CB 3.47Å; K697-S701 PolarHBondContact O-N 2.79Å; K697-S701 VanDerWaalsContact O-N 3.07Å; K698-S701 PolarHBondContact O-N 3.38Å; N699-S701 PolarHBondContact O-N 3.09Å
702	I	66.4	Low	73.4	Confident	130 Å²	130	119.2 Å²	119.2	67%	0.667	60%	0.597	S	S	*	*	H	α-helix	trans	-86.8	-27.3	175.2	-66.9	165.3	0	0	0	110.4	K698 N699 Q704	K698-I702 WeakPolarHBondContact O-CG1 3.17Å; K698-I702 PolarHBondContact O-N 3.35Å; K698-I702 VanDerWaalsContact O-N 3.16Å; N699-I702 PolarHBondContact O-N 2.98Å; N699-I702 VanDerWaalsContact O-N 3.12Å; I702-Q704 VanDerWaalsContact C-N 3.31Å
703	D	58.6	Low	72.4	Confident	141 Å²	141	122.6 Å²	122.6	75%	0.754	61%	0.606	S	S	*	*			trans	-79.7	-8.1	174.1	-74	-24.1	0	0	0	113.9	N699	N699-D703 PolarHBondContact O-N 3.47Å
704	Q	48.6	Very low	71.2	Confident	221 Å²	221	123.9 Å²	123.9	100%	1.033	62%	0.619	S	S	*	*			trans	-97.9	0	170.9	-73.5	-175	6.7	0	0	111.2	I702	I702-Q704 VanDerWaalsContact C-N 3.31Å

Retrieved 704 of 704 residues in 583.4 ms (Link to these results)

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