A0A5K4F8D9_SCHMA Loading...

Transmembrane protein

AlphaFold DB , UniProt , Accession A0A5K4F8D9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 772 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	37.4	Very low	46.6	Very low	223 Å²	223	135.5 Å²	135.5	100%	1.099	64%	0.644	S	S	*	*				0	148.5	0	-160.3	171	-175.7	0	0	107.5
2	Y	31.9	Very low	47.1	Very low	209 Å²	209	133.8 Å²	133.8	82%	0.82	64%	0.635	S	S	*	*			trans	75.5	92.8	-161.2	-54.7	-77.4	0	0	0	113	T4	Y2-T4 PolarHBondContact O-N 3Å
3	L	39.9	Very low	47.2	Very low	117 Å²	117	133.6 Å²	133.6	61%	0.613	63%	0.634	S	S	*	*			trans	-46.4	124.6	146.3	-85.3	147.1	0	0	0	106	Q7	L3-Q7 HydrophobicContact CB-CB 4.41Å; L3-Q7 HydrophobicContact CD2-CB 3.65Å; L3-Q7 HydrophobicContact CD2-CG 4.43Å
4	T	58.6	Low	46.7	Very low	74 Å²	74	135.4 Å²	135.4	45%	0.454	64%	0.638	S	S	.	*			trans	-56.8	147.1	176.3	53.8	0	0	0	0	108.8	Y2 F6 Q7 Y8	Y2-T4 PolarHBondContact O-N 3Å; T4-F6 PolarHBondContact O-N 3.33Å; T4-Q7 WeakPolarHBondContact O-CA 3.22Å; T4-Q7 WeakPolarHBondContact O-CB 3.47Å; T4-Q7 PolarHBondContact O-N 3.43Å; T4-Q7 VanDerWaalsContact OG1-CD 3.29Å; T4-Q7 VanDerWaalsContact OG1-CG 3.24Å; T4-Q7 WeakPolarHBondContact OG1-CG 3.47Å; T4-Q7 PolarHBondContact OG1-N 3.39Å; T4-Q7 PolarHBondContact OG1-OE1 3.49Å; T4-Q7 VanDerWaalsContact OG1-OE1 3.1Å; T4-Y8 PolarHBondContact O-N 3.36Å
5	N	47.1	Very low	46.6	Very low	136 Å²	136	136.4 Å²	136.4	73%	0.727	64%	0.639	S	S	*	*	H	α-helix	trans	-48.5	-37.1	174.7	-110.5	11	0	0	0	111	Q7 Y8 E9	N5-Q7 PolarHBondContact O-N 3.36Å; N5-Y8 PolarHBondContact O-N 3.23Å; N5-E9 WeakPolarHBondContact O-CB 3.38Å; N5-E9 PolarHBondContact O-N 3.35Å
6	F	45.4	Very low	46.4	Very low	151 Å²	151	133.6 Å²	133.6	66%	0.662	63%	0.629	S	S	*	*	H	α-helix	trans	-58.9	-40.7	173.6	-173.5	-105.8	0	0	0	114.1	T4 L10	T4-F6 PolarHBondContact O-N 3.33Å; F6-L10 HydrophobicContact CD1-CD1 4.35Å; F6-L10 HydrophobicContact CE1-CD1 3.69Å; F6-L10 HydrophobicContact CE2-CD1 4.05Å; F6-L10 HydrophobicContact CZ-CD1 3.52Å; F6-L10 WeakPolarHBondContact O-CB 3.43Å; F6-L10 PolarHBondContact O-N 3.43Å
7	Q	53.5	Low	45.7	Very low	97 Å²	97	132.4 Å²	132.4	45%	0.453	63%	0.627	S	S	.	*	H	α-helix	trans	-72	-30.7	177.5	-73.5	166	-32.8	0	0	112.8	L3 T4 N5 L11	L3-Q7 HydrophobicContact CB-CB 4.41Å; L3-Q7 HydrophobicContact CD2-CB 3.65Å; L3-Q7 HydrophobicContact CD2-CG 4.43Å; T4-Q7 WeakPolarHBondContact O-CA 3.22Å; T4-Q7 WeakPolarHBondContact O-CB 3.47Å; T4-Q7 PolarHBondContact O-N 3.43Å; T4-Q7 VanDerWaalsContact OG1-CD 3.29Å; T4-Q7 VanDerWaalsContact OG1-CG 3.24Å; T4-Q7 WeakPolarHBondContact OG1-CG 3.47Å; T4-Q7 PolarHBondContact OG1-N 3.39Å; T4-Q7 PolarHBondContact OG1-OE1 3.49Å; T4-Q7 VanDerWaalsContact OG1-OE1 3.1Å; N5-Q7 PolarHBondContact O-N 3.36Å; Q7-L11 PolarHBondContact O-N 3.23Å
8	Y	51.3	Low	45.2	Very low	155 Å²	155	128.4 Å²	128.4	61%	0.608	63%	0.627	S	S	*	*	H	α-helix	trans	-74.6	-39.9	174.4	-144.6	-89.8	0	0	0	111.4	T4 N5 L11 H12	T4-Y8 PolarHBondContact O-N 3.36Å; N5-Y8 PolarHBondContact O-N 3.23Å; Y8-L11 PolarHBondContact O-N 3.02Å; Y8-H12 PolarHBondContact O-N 3.41Å; Y8-H12 VanDerWaalsContact O-N 3.11Å
9	E	51.3	Low	45.2	Very low	116 Å²	116	129.2 Å²	129.2	54%	0.542	63%	0.629	S	S	.	*	H	α-helix	trans	-63.4	-42.2	172.6	-122.8	77.9	-167.9	0	0	112	N5 L11 H12 Q13	N5-E9 WeakPolarHBondContact O-CB 3.38Å; N5-E9 PolarHBondContact O-N 3.35Å; E9-L11 PolarHBondContact O-N 3.47Å; E9-H12 PolarHBondContact O-N 3.01Å; E9-Q13 WeakPolarHBondContact O-CB 3.32Å; E9-Q13 WeakPolarHBondContact O-CG 3.31Å; E9-Q13 PolarHBondContact O-N 3.45Å
10	L	44.3	Very low	44.6	Very low	78 Å²	78	129.7 Å²	129.7	41%	0.408	63%	0.634	S	S	.	*	H	α-helix	trans	-62.5	-43.4	177.2	-133.2	96.2	0	0	0	111.2	F6 H12 Q13 F14	F6-L10 HydrophobicContact CD1-CD1 4.35Å; F6-L10 HydrophobicContact CE1-CD1 3.69Å; F6-L10 HydrophobicContact CE2-CD1 4.05Å; F6-L10 HydrophobicContact CZ-CD1 3.52Å; F6-L10 WeakPolarHBondContact O-CB 3.43Å; F6-L10 PolarHBondContact O-N 3.43Å; L10-H12 VanDerWaalsContact C-N 3.33Å; L10-H12 PolarHBondContact O-N 3.34Å; L10-Q13 PolarHBondContact O-N 3.32Å; L10-F14 HydrophobicContact CD2-CD2 4.26Å; L10-F14 HydrophobicContact CD2-CE2 3.88Å; L10-F14 HydrophobicContact CG-CD2 4.35Å; L10-F14 HydrophobicContact CG-CE2 4.25Å; L10-F14 VanDerWaalsContact O-CD2 3.3Å; L10-F14 WeakPolarHBondContact O-CD2 3.47Å; L10-F14 PolarHBondContact O-N 2.97Å
11	L	52.1	Low	43.9	Very low	134 Å²	134	131.5 Å²	131.5	70%	0.702	64%	0.643	S	S	*	*	H	α-helix	trans	-66.8	-33.6	-179.9	-143.4	88.8	0	0	0	112.2	Q7 Y8 E9 K15	Q7-L11 PolarHBondContact O-N 3.23Å; Y8-L11 PolarHBondContact O-N 3.02Å; E9-L11 PolarHBondContact O-N 3.47Å; L11-K15 PolarHBondContact O-N 3.49Å
12	H	52.6	Low	43.7	Very low	116 Å²	116	124.5 Å²	124.5	54%	0.537	62%	0.621	S	S	.	*	H	α-helix	trans	-75.3	-35.9	176.7	-161.5	-84.2	0	0	0	112.3	Y8 E9 L10 K15 L16	Y8-H12 PolarHBondContact O-N 3.41Å; Y8-H12 VanDerWaalsContact O-N 3.11Å; E9-H12 PolarHBondContact O-N 3.01Å; L10-H12 VanDerWaalsContact C-N 3.33Å; L10-H12 PolarHBondContact O-N 3.34Å; H12-K15 PolarHBondContact O-N 2.98Å; H12-L16 PolarHBondContact O-N 3.12Å
13	Q	47.6	Very low	43.5	Very low	131 Å²	131	119.2 Å²	119.2	61%	0.612	61%	0.612	S	S	*	*	H	α-helix	trans	-69.9	-39.5	175.7	-69.8	-81.1	-19.1	0	0	112.3	E9 L10 K15 L16 L17	E9-Q13 WeakPolarHBondContact O-CB 3.32Å; E9-Q13 WeakPolarHBondContact O-CG 3.31Å; E9-Q13 PolarHBondContact O-N 3.45Å; L10-Q13 PolarHBondContact O-N 3.32Å; Q13-K15 VanDerWaalsContact C-N 3.29Å; Q13-K15 PolarHBondContact O-N 3.46Å; Q13-L16 PolarHBondContact O-N 3.39Å; Q13-L17 PolarHBondContact O-N 3.4Å; Q13-L17 VanDerWaalsContact O-N 3.09Å
14	F	41.5	Very low	43.1	Very low	158 Å²	158	124.3 Å²	124.3	69%	0.693	63%	0.63	S	S	*	*	H	α-helix	trans	-65.1	-30.5	174.2	-92.7	-76.5	0	0	0	113.1	L10	L10-F14 HydrophobicContact CD2-CD2 4.26Å; L10-F14 HydrophobicContact CD2-CE2 3.88Å; L10-F14 HydrophobicContact CG-CD2 4.35Å; L10-F14 HydrophobicContact CG-CE2 4.25Å; L10-F14 VanDerWaalsContact O-CD2 3.3Å; L10-F14 WeakPolarHBondContact O-CD2 3.47Å; L10-F14 PolarHBondContact O-N 2.97Å
15	K	44.5	Very low	41.7	Very low	151 Å²	151	129.1 Å²	129.1	66%	0.657	65%	0.647	S	S	*	*	H	α-helix	trans	-75.1	-30.3	176.3	-165.9	175.7	-179.7	-178.2	0	113	L11 H12 Q13	L11-K15 PolarHBondContact O-N 3.49Å; H12-K15 PolarHBondContact O-N 2.98Å; Q13-K15 VanDerWaalsContact C-N 3.29Å; Q13-K15 PolarHBondContact O-N 3.46Å
16	L	43.8	Very low	41	Very low	92 Å²	92	130.4 Å²	130.4	48%	0.482	65%	0.654	S	S	.	*	H	α-helix	trans	-84.3	-34	179.9	-124.4	104.2	0	0	0	113.3	H12 Q13 Q19	H12-L16 PolarHBondContact O-N 3.12Å; Q13-L16 PolarHBondContact O-N 3.39Å; L16-Q19 PolarHBondContact O-N 3.48Å
17	L	34	Very low	40.3	Very low	113 Å²	113	126.6 Å²	126.6	59%	0.592	66%	0.657	S	S	*	*	H	α-helix	trans	-77.1	-33	-179	-156.8	74.4	0	0	0	112.5	Q13 Q19 L20 M21	Q13-L17 PolarHBondContact O-N 3.4Å; Q13-L17 VanDerWaalsContact O-N 3.09Å; L17-Q19 PolarHBondContact O-N 2.99Å; L17-L20 PolarHBondContact O-N 3.26Å; L17-L20 VanDerWaalsContact O-N 3.09Å; L17-M21 PolarHBondContact O-N 2.98Å
18	G	37	Very low	39.2	Very low	61 Å²	61	128.2 Å²	128.2	63%	0.629	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-12.1	170.9	0	0	0	0	0	114.4
19	Q	45.6	Very low	38.3	Very low	143 Å²	143	127.9 Å²	127.9	67%	0.668	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	-9.4	173.8	-69.1	-179.4	-26.1	0	0	113.2	L16 L17	L16-Q19 PolarHBondContact O-N 3.48Å; L17-Q19 PolarHBondContact O-N 2.99Å
20	L	32.4	Very low	37.4	Very low	139 Å²	139	131.1 Å²	131.1	73%	0.728	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103	-11.5	179.1	-119.1	108.9	0	0	0	114	L17 A22	L17-L20 PolarHBondContact O-N 3.26Å; L17-L20 VanDerWaalsContact O-N 3.09Å; L20-A22 VanDerWaalsContact C-N 3.34Å; L20-A22 PolarHBondContact O-N 3.47Å
21	M	29.8	Very low	37	Very low	167 Å²	167	133.9 Å²	133.9	82%	0.823	71%	0.709	S	S	*	*	S	Bend	trans	-88.7	23.6	178.2	-72.5	-117.5	-100.3	0	0	114.3	L17	L17-M21 PolarHBondContact O-N 2.98Å
22	A	33.3	Very low	36	Very low	76 Å²	76	132.4 Å²	132.4	63%	0.628	71%	0.71	S	S	*	*	S	Bend	trans	-100.4	-15.2	-161.9	0	0	0	0	0	118.3	L20	L20-A22 VanDerWaalsContact C-N 3.34Å; L20-A22 PolarHBondContact O-N 3.47Å
23	P	28.5	Very low	35.1	Very low	99 Å²	99	136 Å²	136	64%	0.643	72%	0.724	S	S	*	*			trans	-157.2	114.8	158.6	32.8	-11.2	0	0	0	115.4
24	F	31.8	Very low	34.5	Very low	223 Å²	223	141.3 Å²	141.3	98%	0.978	74%	0.74	S	S	*	*			trans	-162.6	73.2	144.3	-83.5	-62.5	0	0	0	109
25	E	28.9	Very low	34.1	Very low	175 Å²	175	142.8 Å²	142.8	82%	0.818	75%	0.746	S	S	*	*			trans	-77.3	158	158.6	-77.3	175.8	138.2	0	0	110.5
26	D	31.7	Very low	33.6	Very low	164 Å²	164	142.8 Å²	142.8	88%	0.877	75%	0.752	S	S	*	*			trans	98.5	120.2	156.3	-60.1	-23.8	0	0	0	122.2
27	G	31.2	Very low	33.2	Very low	70 Å²	70	145.6 Å²	145.6	72%	0.722	77%	0.767	S	S	*	*			trans	121.1	79.1	145	0	0	0	0	0	117.6
28	V	31	Very low	33.2	Very low	131 Å²	131	146.7 Å²	146.7	79%	0.794	77%	0.774	S	S	*	*				80.6	106.2	83.7	174.8	0	0	0	0	116.5
29	L	31	Very low	33	Very low	149 Å²	149	150.2 Å²	150.2	78%	0.78	78%	0.778	S	S	*	*				44.1	130.4	129.6	-71.3	152.2	0	0	0	122.5
30	K	33.3	Very low	32.6	Very low	184 Å²	184	151.3 Å²	151.3	80%	0.8	79%	0.789	S	S	*	*				159.7	119.3	98.1	-116	169.8	177.1	177.6	0	116
31	D	34.8	Very low	32.7	Very low	135 Å²	135	151.8 Å²	151.8	72%	0.722	79%	0.792	S	S	*	*				50.5	123.1	125.3	-75.5	-24.1	0	0	0	126.7
32	S	32.5	Very low	33	Very low	103 Å²	103	151.7 Å²	151.7	72%	0.72	79%	0.794	S	S	*	*				114.5	124.5	108.7	69.9	0	0	0	0	122.8
33	K	33.2	Very low	32.9	Very low	193 Å²	193	155.6 Å²	155.6	84%	0.839	81%	0.805	S	S	*	*			trans	60	130.8	136.3	-74.8	176.5	176.1	171.7	0	121.5
34	Y	35.5	Very low	33.2	Very low	242 Å²	242	157.5 Å²	157.5	95%	0.949	81%	0.814	S	S	*	*				-159.8	154.3	117.8	-110.5	-80.1	0	0	0	113
35	K	33.4	Very low	33.1	Very low	189 Å²	189	154.6 Å²	154.6	82%	0.822	81%	0.809	S	S	*	*			trans	-106.6	158	-157.3	-138.3	-177.8	-178.1	-169	0	111.6
36	I	32	Very low	33.3	Very low	151 Å²	151	150.9 Å²	150.9	77%	0.774	80%	0.803	S	S	*	*			trans	-81.4	143.2	168.7	-68.1	163.7	0	0	0	110
37	D	35.8	Very low	33.3	Very low	151 Å²	151	150.5 Å²	150.5	81%	0.807	80%	0.799	S	S	*	*			trans	-144.5	150.6	156.2	-91.1	-36	0	0	0	112.7
38	N	33.9	Very low	33.1	Very low	136 Å²	136	155.3 Å²	155.3	73%	0.727	80%	0.804	S	S	*	*			trans	-68.4	163.9	-164.3	-90.6	-25.9	0	0	0	120.7
39	N	33.9	Very low	32.9	Very low	134 Å²	134	154.5 Å²	154.5	72%	0.717	81%	0.805	S	S	*	*			trans	72.5	123.8	139.1	-73.6	-11.6	0	0	0	122
40	N	36.2	Very low	32.8	Very low	167 Å²	167	151.1 Å²	151.1	89%	0.893	81%	0.806	S	S	*	*				-166.4	126.4	120.9	-95.6	-21	0	0	0	113.2
41	N	34.2	Very low	32.4	Very low	149 Å²	149	147.6 Å²	147.6	80%	0.797	81%	0.805	S	S	*	*			trans	-70.4	151.6	163.6	-77.4	-29.7	0	0	0	110.9
42	N	36.5	Very low	32.2	Very low	164 Å²	164	149.4 Å²	149.4	88%	0.877	81%	0.813	S	S	*	*				178.7	131.9	124.3	-85.7	-19.5	0	0	0	112.9
43	N	32.5	Very low	32.1	Very low	159 Å²	159	148.8 Å²	148.8	85%	0.85	81%	0.809	S	S	*	*			trans	-61.5	142.7	172.6	-70.8	-31.5	0	0	0	113.7
44	V	33.2	Very low	31.8	Very low	138 Å²	138	147.1 Å²	147.1	84%	0.836	81%	0.809	S	S	*	*			trans	-150.8	116	142.5	-179	0	0	0	0	109.8
45	N	29.7	Very low	31.6	Very low	163 Å²	163	144.9 Å²	144.9	87%	0.872	80%	0.799	S	S	*	*			trans	-89	132.5	158.8	-87.4	-19.1	0	0	0	108.6
46	S	33.1	Very low	31.5	Very low	97 Å²	97	144.9 Å²	144.9	68%	0.678	80%	0.795	S	S	*	*			trans	168.8	119.7	134.4	59.4	0	0	0	0	113.5
47	I	32.2	Very low	31.4	Very low	156 Å²	156	143.3 Å²	143.3	80%	0.8	79%	0.787	S	S	*	*				66.7	120.1	124.2	-60.2	169.9	0	0	0	120.2
48	M	28.5	Very low	31.2	Very low	170 Å²	170	144.8 Å²	144.8	84%	0.837	79%	0.789	S	S	*	*			trans	79	116	146.2	-110.9	141.5	158.5	0	0	122.7
49	S	26.7	Very low	30.8	Very low	114 Å²	114	145.1 Å²	145.1	80%	0.797	79%	0.791	S	S	*	*			trans	59.7	111.5	132.1	63.3	0	0	0	0	119.3
50	G	29	Very low	30.6	Very low	79 Å²	79	145.9 Å²	145.9	81%	0.814	80%	0.795	S	S	*	*			trans	-160.7	100.1	163.4	0	0	0	0	0	110.6
51	S	24.9	Very low	30.3	Very low	110 Å²	110	147.4 Å²	147.4	77%	0.769	80%	0.797	S	S	*	*			trans	-49.2	146.8	167.7	54.1	0	0	0	0	114
52	L	30.1	Very low	30	Very low	173 Å²	173	147.7 Å²	147.7	91%	0.906	80%	0.797	S	S	*	*			trans	165.2	134.2	153.1	-90.4	148.5	0	0	0	105
53	S	30.8	Very low	29.4	Very low	90 Å²	90	144.4 Å²	144.4	63%	0.629	79%	0.787	S	S	*	*			cis	-175.6	135.2	32.8	161.1	0	0	0	0	107.6
54	N	26.5	Very low	29.2	Very low	157 Å²	157	147.1 Å²	147.1	84%	0.84	79%	0.785	S	S	*	*			trans	-46.5	146.6	159.1	-83.1	-26.5	0	0	0	112.2
55	R	30.9	Very low	28.9	Very low	195 Å²	195	150.1 Å²	150.1	74%	0.736	78%	0.783	S	S	*	*			trans	-170.1	124.1	141.6	-108.6	-179.8	-118	-162.7	1.6	112.6
56	Y	30.4	Very low	28.8	Very low	189 Å²	189	146.4 Å²	146.4	74%	0.741	77%	0.769	S	S	*	*			trans	76.8	143.1	143.7	-61.4	-44.1	0	0	0	119.1
57	I	30.5	Very low	28.4	Very low	119 Å²	119	148.4 Å²	148.4	61%	0.61	77%	0.773	S	S	*	*			cis	-172.9	147.3	-9.1	-116	162.9	0	0	0	106.7
58	Q	31.5	Very low	28.1	Very low	181 Å²	181	149.2 Å²	149.2	85%	0.846	77%	0.773	S	S	*	*			trans	64.4	121.5	153.1	-77.2	167.9	-44.5	0	0	123.4
59	N	26.5	Very low	28.1	Very low	144 Å²	144	152.1 Å²	152.1	77%	0.77	78%	0.775	S	S	*	*			trans	-62.7	172.9	154.4	-67.3	-25.6	0	0	0	113.6
60	D	28.8	Very low	27.9	Very low	150 Å²	150	155.7 Å²	155.7	80%	0.802	78%	0.781	S	S	*	*			trans	90.8	98	160.9	-56.5	-22.1	0	0	0	115.9
61	E	30	Very low	27.8	Very low	199 Å²	199	160.9 Å²	160.9	93%	0.93	79%	0.789	S	S	*	*				-171.9	127.4	105.4	-100.4	177.8	175.8	0	0	113.1
62	I	27.2	Very low	27.9	Very low	155 Å²	155	158.6 Å²	158.6	80%	0.795	78%	0.783	S	S	*	*			trans	-85.3	135.7	172.7	-75.6	163.9	0	0	0	108.4
63	S	25.4	Very low	27.9	Very low	94 Å²	94	157.1 Å²	157.1	66%	0.657	78%	0.781	S	S	*	*			trans	63.8	127.2	153.9	74	0	0	0	0	118.2
64	R	27.6	Very low	27.6	Very low	216 Å²	216	162.3 Å²	162.3	82%	0.815	80%	0.795	S	S	*	*				168	127.8	120.9	-96.9	177	-172.1	-179.4	3.3	113.4
65	Y	27.9	Very low	27.7	Very low	202 Å²	202	158.3 Å²	158.3	79%	0.792	79%	0.792	S	S	*	*			trans	57.7	106.4	151.7	-67.7	-84.3	0	0	0	117.3
66	S	25.8	Very low	27.4	Very low	84 Å²	84	154.7 Å²	154.7	59%	0.587	80%	0.796	S	S	*	*				60.2	118.1	63.8	84.6	0	0	0	0	114.9
67	D	25.8	Very low	27.5	Very low	140 Å²	140	153.1 Å²	153.1	75%	0.749	80%	0.799	S	S	*	*			trans	89.4	137.8	147.8	-51.4	-29.7	0	0	0	121.5
68	E	26.7	Very low	27.3	Very low	172 Å²	172	152.8 Å²	152.8	80%	0.804	81%	0.807	S	S	*	*			trans	74.6	132	166.9	-60.2	173.4	150.6	0	0	113.8
69	W	26.9	Very low	27.3	Very low	232 Å²	232	150.1 Å²	150.1	88%	0.879	80%	0.803	S	S	*	*				-160.3	129.7	56.4	-82.1	53.8	0	0	0	109.2
70	M	23.5	Very low	27.3	Very low	189 Å²	189	150.7 Å²	150.7	93%	0.931	81%	0.806	S	S	*	*			trans	-178.6	100.3	144.9	-92.8	-108	-97.3	0	0	108.2
71	L	26	Very low	27.4	Very low	187 Å²	187	148.3 Å²	148.3	98%	0.979	80%	0.801	S	S	*	*			trans	-174.2	133.1	150.4	-101	167.5	0	0	0	110.6
72	G	27.2	Very low	27.3	Very low	62 Å²	62	142.7 Å²	142.7	64%	0.639	78%	0.784	S	S	*	*			trans	116.7	129.9	165.7	0	0	0	0	0	113.2
73	T	29.7	Very low	27.3	Very low	143 Å²	143	142.3 Å²	142.3	88%	0.877	78%	0.783	S	S	*	*			cis	-170.6	157.6	9.7	26	0	0	0	0	108.4
74	E	25.8	Very low	27.4	Very low	198 Å²	198	144.9 Å²	144.9	93%	0.925	79%	0.788	S	S	*	*			trans	-38.7	157.4	170.5	-60.8	164.3	155.1	0	0	117.1
75	G	28.7	Very low	27.3	Very low	74 Å²	74	143.7 Å²	143.7	76%	0.763	79%	0.785	S	S	*	*			trans	178.2	68.9	169.3	0	0	0	0	0	114.5
76	S	24.5	Very low	27.3	Very low	118 Å²	118	140.5 Å²	140.5	83%	0.825	78%	0.78	S	S	*	*			trans	-59.6	125.2	165.1	50.5	0	0	0	0	111.9
77	I	31.3	Very low	27.7	Very low	156 Å²	156	143.6 Å²	143.6	80%	0.8	79%	0.791	S	S	*	*			trans	-139.3	103.9	155.3	-61.9	-177.4	0	0	0	109	V79	I77-V79 HydrophobicContact CG2-CG2 3.93Å
78	S	26.6	Very low	27.9	Very low	112 Å²	112	144 Å²	144	78%	0.783	79%	0.793	S	S	*	*			trans	-70	133.2	154.7	53	0	0	0	0	109.9
79	V	31	Very low	28.5	Very low	126 Å²	126	140.5 Å²	140.5	76%	0.764	79%	0.785	S	S	*	*			trans	-140	110.7	150.7	-177.7	0	0	0	0	109.1	I77	I77-V79 HydrophobicContact CG2-CG2 3.93Å
80	N	28	Very low	28.7	Very low	155 Å²	155	137.5 Å²	137.5	83%	0.829	78%	0.783	S	S	*	*			trans	-71.4	140.5	160.5	-133.1	2.4	0	0	0	108.6
81	S	30.2	Very low	29	Very low	100 Å²	100	138.7 Å²	138.7	70%	0.699	78%	0.778	S	S	*	*			trans	-164	96	149.7	56.2	0	0	0	0	107.8
82	S	26.8	Very low	29.4	Very low	82 Å²	82	137.4 Å²	137.4	57%	0.573	77%	0.765	S	S	*	*				64.4	110.4	71	76.4	0	0	0	0	113.5
83	D	27.6	Very low	29.8	Very low	146 Å²	146	143.9 Å²	143.9	78%	0.781	77%	0.77	S	S	*	*			trans	70.1	162.5	135.9	-56.1	-30	0	0	0	119.6
84	I	27.1	Very low	29.9	Very low	148 Å²	148	145.9 Å²	145.9	76%	0.759	77%	0.769	S	S	*	*			trans	100.5	119	164	-51.7	157.5	0	0	0	112.7
85	Y	27	Very low	30.3	Very low	192 Å²	192	142 Å²	142	75%	0.753	76%	0.764	S	S	*	*			cis	173	173.7	-1.8	-123.5	-80	0	0	0	106
86	I	28	Very low	30.5	Very low	134 Å²	134	142.9 Å²	142.9	69%	0.687	76%	0.759	S	S	*	*			trans	75.7	126.3	147.6	-66.8	154.1	0	0	0	115.8
87	N	32.7	Very low	31.1	Very low	150 Å²	150	143.2 Å²	143.2	80%	0.802	75%	0.751	S	S	*	*			cis	-166.3	156.5	10.9	-102	-7	0	0	0	110.8
88	D	29.9	Very low	31.4	Very low	149 Å²	149	143.8 Å²	143.8	80%	0.797	75%	0.75	S	S	*	*			trans	-83.5	-156.4	-178.6	-162.5	15.8	0	0	0	112.3
89	P	39.4	Very low	31.6	Very low	97 Å²	97	142.9 Å²	142.9	63%	0.63	74%	0.743	S	S	*	*				-108.2	178.4	-110.1	36.1	-18.1	0	0	0	115.2
90	M	32.2	Very low	31.6	Very low	170 Å²	170	141.4 Å²	141.4	84%	0.837	74%	0.739	S	S	*	*			trans	171.6	122.9	149.4	-99.6	-165.8	150	0	0	112
91	Y	29.3	Very low	31.7	Very low	213 Å²	213	139.1 Å²	139.1	84%	0.835	73%	0.731	S	S	*	*				85.6	134.3	67	-109.6	-82.9	0	0	0	117.9
92	K	35.2	Very low	31.7	Very low	161 Å²	161	141.5 Å²	141.5	70%	0.7	74%	0.735	S	S	*	*			trans	106	131.9	160.3	-70.1	173.7	175.5	167.9	0	116.1
93	R	35.2	Very low	31.9	Very low	197 Å²	197	141.6 Å²	141.6	74%	0.743	74%	0.736	S	S	*	*			cis	-163.5	133.3	14.3	-105.4	161.3	-178.8	177.2	-0.4	108.1
94	Q	32.6	Very low	32.1	Very low	186 Å²	186	141.4 Å²	141.4	87%	0.869	73%	0.734	S	S	*	*				54.9	132.1	96	-76.5	173.6	-32.5	0	0	115.3
95	S	32.5	Very low	32.3	Very low	115 Å²	115	141.1 Å²	141.1	80%	0.804	73%	0.732	S	S	*	*			cis	-151.8	161	41	67.4	0	0	0	0	115.9
96	S	34	Very low	32.3	Very low	94 Å²	94	136 Å²	136	66%	0.657	73%	0.725	S	S	*	*			trans	-72.8	169.5	172.7	54.1	0	0	0	0	113.7
97	N	36.2	Very low	32.4	Very low	124 Å²	124	135.4 Å²	135.4	66%	0.663	73%	0.727	S	S	*	*				-175.1	144.9	70.4	-94.6	-18.1	0	0	0	112.2
98	H	37.7	Very low	32.3	Very low	169 Å²	169	133.6 Å²	133.6	78%	0.782	72%	0.722	S	S	*	*			trans	49	146	137.6	-65	-57.4	0	0	0	121.3
99	S	31.6	Very low	32.3	Very low	92 Å²	92	133.2 Å²	133.2	64%	0.643	72%	0.719	S	S	*	*			cis	-178.4	138.2	-5	46.1	0	0	0	0	108.6
100	S	29.9	Very low	31.9	Very low	96 Å²	96	134 Å²	134	67%	0.671	72%	0.722	S	S	*	*			trans	69	133.6	131	68.1	0	0	0	0	124
101	T	30.5	Very low	31.8	Very low	107 Å²	107	133.3 Å²	133.3	66%	0.656	72%	0.722	S	S	*	*			trans	82.3	109.8	136	50.1	0	0	0	0	118.6
102	N	30.5	Very low	32	Very low	149 Å²	149	129.3 Å²	129.3	80%	0.797	72%	0.722	S	S	*	*				87.7	145.1	97.3	-73.2	0.3	0	0	0	110.4
103	S	30.1	Very low	32	Very low	84 Å²	84	126.8 Å²	126.8	59%	0.587	73%	0.725	S	S	*	*			cis	171.2	154.9	-5.6	53.8	0	0	0	0	104.9
104	I	32	Very low	32	Very low	142 Å²	142	125.8 Å²	125.8	73%	0.728	73%	0.729	S	S	*	*			trans	73.2	103	146.7	-63.8	160.9	0	0	0	115.8
105	I	31.3	Very low	32	Very low	142 Å²	142	123.7 Å²	123.7	73%	0.728	72%	0.722	S	S	*	*				92.4	114.9	81.4	-77	166.8	0	0	0	113.4
106	S	28	Very low	32	Very low	86 Å²	86	126.2 Å²	126.2	60%	0.601	72%	0.721	S	S	*	*			trans	65.4	128.9	139.8	71.4	0	0	0	0	123.1
107	T	30.3	Very low	32	Very low	120 Å²	120	130.5 Å²	130.5	74%	0.736	73%	0.73	S	S	*	*			trans	67.8	134.7	132	58.2	0	0	0	0	116.4
108	T	29.9	Very low	32.1	Very low	113 Å²	113	129.7 Å²	129.7	69%	0.693	73%	0.732	S	S	*	*			cis	-179.9	161.7	21.7	9.5	0	0	0	0	107.6
109	L	29.6	Very low	31.7	Very low	141 Å²	141	128.9 Å²	128.9	74%	0.738	73%	0.733	S	S	*	*			trans	77.6	116.3	147.4	-94	93.6	0	0	0	121
110	T	31.6	Very low	31.8	Very low	112 Å²	112	130.4 Å²	130.4	69%	0.687	73%	0.734	S	S	*	*				98.9	116.8	125.4	48.5	0	0	0	0	121.9
111	N	30.4	Very low	32	Very low	156 Å²	156	133.1 Å²	133.1	83%	0.834	74%	0.736	S	S	*	*			trans	79.1	116	145.2	-73.5	-5	0	0	0	119.9
112	P	32.9	Very low	32.1	Very low	130 Å²	130	134.5 Å²	134.5	84%	0.844	74%	0.739	S	S	*	*			trans	-109.8	142.1	160.3	35.9	-23.6	0	0	0	112
113	S	36.5	Very low	32.5	Very low	108 Å²	108	135.1 Å²	135.1	76%	0.755	74%	0.737	S	S	*	*			trans	-131.6	113.5	157.4	57.7	0	0	0	0	109.7
114	Q	33.4	Very low	32.6	Very low	176 Å²	176	138.3 Å²	138.3	82%	0.822	75%	0.747	S	S	*	*			trans	59.2	118.6	145.9	-55.4	-176.6	-25.7	0	0	119.8
115	I	33.6	Very low	32.5	Very low	142 Å²	142	141.4 Å²	141.4	73%	0.728	75%	0.751	S	S	*	*				159.1	128.1	114.9	-78.1	167	0	0	0	111
116	Q	33.2	Very low	32.4	Very low	168 Å²	168	141.9 Å²	141.9	79%	0.785	75%	0.754	S	S	*	*			trans	77.6	106.4	156.4	-78.3	156.4	-16.8	0	0	124.5
117	Q	33.8	Very low	32.6	Very low	183 Å²	183	142.3 Å²	142.3	86%	0.855	76%	0.757	S	S	*	*			trans	60.5	158	131.5	-72.5	-174.2	-18.3	0	0	122.6
118	P	37.2	Very low	32.7	Very low	108 Å²	108	145.1 Å²	145.1	70%	0.701	76%	0.764	S	S	*	*				-129	-177.7	-64.8	33.5	-12.3	0	0	0	114.1
119	L	30.5	Very low	33	Very low	151 Å²	151	147 Å²	147	79%	0.791	77%	0.768	S	S	*	*			trans	107.9	104.6	161.2	-81	127.9	0	0	0	121.4
120	N	33.1	Very low	33.2	Very low	124 Å²	124	145.7 Å²	145.7	66%	0.663	76%	0.762	S	S	*	*			trans	68.3	114.5	133.4	-83.2	0.1	0	0	0	125.3
121	Q	33.2	Very low	33.5	Very low	154 Å²	154	145.8 Å²	145.8	72%	0.72	76%	0.764	S	S	*	*				69.5	108.7	126.4	-77.4	164	-50.2	0	0	120.2
122	D	33.9	Very low	34.1	Very low	135 Å²	135	142.6 Å²	142.6	72%	0.722	75%	0.754	S	S	*	*				-170.3	143.1	101.3	-105.1	-19.4	0	0	0	114.8
123	Q	37	Very low	34.7	Very low	162 Å²	162	142.5 Å²	142.5	76%	0.757	74%	0.742	S	S	*	*			trans	70.6	143.6	142.7	-71.8	-178.4	15.3	0	0	120.7
124	L	33.1	Very low	35	Very low	152 Å²	152	144.4 Å²	144.4	80%	0.796	74%	0.738	S	S	*	*			cis	-172.5	142.1	-4.2	-164	92.5	0	0	0	108
125	Y	30.6	Very low	35.3	Very low	207 Å²	207	144.8 Å²	144.8	81%	0.812	73%	0.733	S	S	*	*			trans	-69.9	145.3	165	-86.4	-113.9	0	0	0	110.8
126	L	29.2	Very low	35.8	Very low	152 Å²	152	142.4 Å²	142.4	80%	0.796	73%	0.725	S	S	*	*				59.1	124.2	72.5	-132.2	97.2	0	0	0	118
127	S	30.7	Very low	36.3	Very low	95 Å²	95	141 Å²	141	66%	0.664	72%	0.718	S	S	*	*			trans	91.5	121.4	140.8	71.1	0	0	0	0	123.1
128	M	32.3	Very low	36.7	Very low	179 Å²	179	138 Å²	138	88%	0.882	70%	0.703	S	S	*	*			trans	43	138.7	139.2	-67.8	-179.1	173.7	0	0	121.5
129	I	36.9	Very low	37.2	Very low	153 Å²	153	139.9 Å²	139.9	79%	0.785	70%	0.7	S	S	*	*			trans	-175	125.3	136	-87.2	143.7	0	0	0	113.3
130	N	33.5	Very low	38	Very low	113 Å²	113	137.6 Å²	137.6	60%	0.604	69%	0.692	S	S	*	*			trans	45.2	122.5	154.1	-80.1	-24.4	0	0	0	126.3	S132	N130-S132 PolarHBondContact O-N 3.41Å
131	P	38.3	Very low	38.6	Very low	113 Å²	113	138.2 Å²	138.2	73%	0.734	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	-12.5	176.1	-11	25.6	0	0	0	117.2
132	S	43.2	Very low	39.1	Very low	89 Å²	89	135.6 Å²	135.6	62%	0.622	68%	0.677	S	S	*	*	H	α-helix	trans	-83	-19.2	-172.6	57	0	0	0	0	114.7	N130	N130-S132 PolarHBondContact O-N 3.41Å
133	Q	45.1	Very low	39.8	Very low	128 Å²	128	133.4 Å²	133.4	60%	0.598	67%	0.668	S	S	*	*	H	α-helix	trans	-83	-17.3	173.7	-78.5	-178.3	-29.1	0	0	113.4	T136 Q137	Q133-T136 PolarHBondContact O-OG1 2.95Å; Q133-Q137 PolarHBondContact O-N 3.26Å
134	F	42	Very low	40.2	Very low	149 Å²	149	132.4 Å²	132.4	65%	0.654	66%	0.661	S	S	*	*	H	α-helix	trans	-69.6	-33.2	178.3	-120	-90.1	0	0	0	112.3	F138	F134-F138 WeakPolarHBondContact O-CB 3.49Å; F134-F138 PolarHBondContact O-N 3.3Å
135	Y	40.8	Very low	41	Very low	183 Å²	183	129.1 Å²	129.1	72%	0.718	64%	0.641	S	S	*	*	H	α-helix	trans	-73.6	-35.1	-175	-158.8	-100.4	0	0	0	113.5	K139	Y135-K139 PolarHBondContact O-N 2.86Å
136	T	44.8	Very low	41.8	Very low	93 Å²	93	126.4 Å²	126.4	57%	0.571	63%	0.633	S	S	*	*	H	α-helix	trans	-75.3	-36.5	175	30.8	0	0	0	0	112.3	Q133 K139 V140	Q133-T136 PolarHBondContact O-OG1 2.95Å; T136-K139 PolarHBondContact O-N 3.45Å; T136-V140 PolarHBondContact O-N 2.95Å
137	Q	44	Very low	42.8	Very low	137 Å²	137	123.3 Å²	123.3	64%	0.64	62%	0.617	S	S	*	*	H	α-helix	trans	-67.4	-34.8	173	-71.5	-169.7	-8.6	0	0	112.4	Q133 K139 V140 Y141	Q133-Q137 PolarHBondContact O-N 3.26Å; Q137-K139 PolarHBondContact O-N 3.14Å; Q137-V140 PolarHBondContact O-N 3.11Å; Q137-Y141 WeakPolarHBondContact O-CB 3.49Å; Q137-Y141 PolarHBondContact O-N 2.72Å
138	F	41.9	Very low	43.7	Very low	122 Å²	122	122 Å²	122	54%	0.535	61%	0.605	S	S	.	*	H	α-helix	trans	-67.3	-34.1	176.3	-145	-93.6	0	0	0	112.9	F134 L142	F134-F138 WeakPolarHBondContact O-CB 3.49Å; F134-F138 PolarHBondContact O-N 3.3Å; F138-L142 HydrophobicContact CD1-CD1 3.96Å; F138-L142 HydrophobicContact CE1-CD1 4.13Å; F138-L142 WeakPolarHBondContact O-CB 3.42Å; F138-L142 PolarHBondContact O-N 2.87Å
139	K	46.7	Very low	44.5	Very low	146 Å²	146	119 Å²	119	64%	0.635	58%	0.584	S	S	*	*	H	α-helix	trans	-70.4	-41.7	177	-128.6	-179.7	-175.7	-176.8	0	112.2	Y135 T136 Q137 L142 V143	Y135-K139 PolarHBondContact O-N 2.86Å; T136-K139 PolarHBondContact O-N 3.45Å; Q137-K139 PolarHBondContact O-N 3.14Å; K139-L142 PolarHBondContact O-N 2.98Å; K139-V143 WeakPolarHBondContact O-CG2 3.39Å; K139-V143 PolarHBondContact O-N 3.34Å; K139-V143 VanDerWaalsContact O-N 3.12Å
140	V	47.8	Very low	45	Very low	104 Å²	104	113.8 Å²	113.8	63%	0.63	56%	0.562	S	S	*	*	H	α-helix	trans	-66	-40.3	174.8	176.1	0	0	0	0	110.7	T136 Q137 V143 F144	T136-V140 PolarHBondContact O-N 2.95Å; Q137-V140 PolarHBondContact O-N 3.11Å; V140-V143 PolarHBondContact O-N 3.39Å; V140-F144 WeakPolarHBondContact O-CB 3.32Å; V140-F144 PolarHBondContact O-N 3.49Å
141	Y	45.5	Very low	45.8	Very low	137 Å²	137	113 Å²	113	54%	0.537	56%	0.556	S	S	.	*	H	α-helix	trans	-61.4	-43	174.5	179.5	-101	0	0	0	112.4	Q137 F144 K145	Q137-Y141 WeakPolarHBondContact O-CB 3.49Å; Q137-Y141 PolarHBondContact O-N 2.72Å; Y141-F144 PolarHBondContact O-N 2.82Å; Y141-K145 HydrophobicContact CE1-CD 4.3Å; Y141-K145 VanDerWaalsContact O-CB 3.32Å; Y141-K145 WeakPolarHBondContact O-CB 3.31Å; Y141-K145 PolarHBondContact O-N 3.4Å
142	L	44.5	Very low	46.6	Very low	99 Å²	99	110.9 Å²	110.9	52%	0.518	54%	0.542	S	S	.	.	H	α-helix	trans	-64.2	-40.7	176.6	-99.4	160.7	0	0	0	113.1	F138 K139 K145 F146	F138-L142 HydrophobicContact CD1-CD1 3.96Å; F138-L142 HydrophobicContact CE1-CD1 4.13Å; F138-L142 WeakPolarHBondContact O-CB 3.42Å; F138-L142 PolarHBondContact O-N 2.87Å; K139-L142 PolarHBondContact O-N 2.98Å; L142-K145 PolarHBondContact O-N 3.44Å; L142-F146 WeakPolarHBondContact O-CB 3.22Å; L142-F146 PolarHBondContact O-N 3.47Å
143	V	47.8	Very low	46.9	Very low	88 Å²	88	110.3 Å²	110.3	53%	0.533	54%	0.537	S	S	.	.	H	α-helix	trans	-67.1	-42.7	176.2	174.4	0	0	0	0	110.9	K139 V140 K145 F146 I147	K139-V143 WeakPolarHBondContact O-CG2 3.39Å; K139-V143 PolarHBondContact O-N 3.34Å; K139-V143 VanDerWaalsContact O-N 3.12Å; V140-V143 PolarHBondContact O-N 3.39Å; V143-K145 VanDerWaalsContact C-N 3.35Å; V143-K145 PolarHBondContact O-N 3.48Å; V143-F146 PolarHBondContact O-N 2.88Å; V143-I147 HydrophobicContact CG1-CD1 4.04Å; V143-I147 WeakPolarHBondContact O-CG1 3.44Å; V143-I147 PolarHBondContact O-N 3.35Å
144	F	45.9	Very low	47.4	Very low	141 Å²	141	109.3 Å²	109.3	62%	0.618	53%	0.534	S	S	*	.	H	α-helix	trans	-63.9	-40.8	176.3	-159.5	-92.5	0	0	0	111.5	V140 Y141 F146 I147 V148	V140-F144 WeakPolarHBondContact O-CB 3.32Å; V140-F144 PolarHBondContact O-N 3.49Å; Y141-F144 PolarHBondContact O-N 2.82Å; F144-F146 VanDerWaalsContact C-N 3.34Å; F144-F146 PolarHBondContact O-N 2.78Å; F144-I147 PolarHBondContact O-N 3Å; F144-V148 HydrophobicContact CD1-CG2 3.98Å; F144-V148 HydrophobicContact CE1-CG2 3.86Å; F144-V148 VanDerWaalsContact O-CG2 3.32Å; F144-V148 WeakPolarHBondContact O-CG2 3.48Å; F144-V148 PolarHBondContact O-N 2.92Å
145	K	49.6	Very low	47.9	Very low	84 Å²	84	106.9 Å²	106.9	37%	0.365	53%	0.528	S	S	.	.	H	α-helix	trans	-62	-40.9	174.8	-151	-175.3	-175	178.8	0	111.4	Y141 L142 V143 V148 Y149	Y141-K145 HydrophobicContact CE1-CD 4.3Å; Y141-K145 VanDerWaalsContact O-CB 3.32Å; Y141-K145 WeakPolarHBondContact O-CB 3.31Å; Y141-K145 PolarHBondContact O-N 3.4Å; L142-K145 PolarHBondContact O-N 3.44Å; V143-K145 VanDerWaalsContact C-N 3.35Å; V143-K145 PolarHBondContact O-N 3.48Å; K145-V148 PolarHBondContact O-N 3.41Å; K145-Y149 HydrophobicContact CD-CE2 3.83Å; K145-Y149 WeakPolarHBondContact CE-OH 3.48Å; K145-Y149 HydrophobicContact CG-CD2 3.94Å; K145-Y149 HydrophobicContact CG-CE2 3.55Å; K145-Y149 WeakPolarHBondContact O-CB 3.35Å; K145-Y149 WeakPolarHBondContact O-CD2 3.44Å; K145-Y149 PolarHBondContact O-N 3.48Å
146	F	47.5	Very low	48.6	Very low	149 Å²	149	102.5 Å²	102.5	65%	0.654	52%	0.516	S	S	*	.	H	α-helix	trans	-66.6	-40.2	177.2	-168.3	-92.7	0	0	0	112.9	L142 V143 F144 Y149 S150	L142-F146 WeakPolarHBondContact O-CB 3.22Å; L142-F146 PolarHBondContact O-N 3.47Å; V143-F146 PolarHBondContact O-N 2.88Å; F144-F146 VanDerWaalsContact C-N 3.34Å; F144-F146 PolarHBondContact O-N 2.78Å; F146-Y149 PolarHBondContact O-N 2.99Å; F146-S150 WeakPolarHBondContact O-CB 3.25Å; F146-S150 PolarHBondContact O-N 2.93Å; F146-S150 PolarHBondContact O-OG 2.87Å
147	I	50.7	Low	48.9	Very low	88 Å²	88	103.4 Å²	103.4	45%	0.451	52%	0.517	S	S	.	.	H	α-helix	trans	-64.4	-45.6	175.4	-68.5	167.8	0	0	0	110.7	V143 F144 S150 L151	V143-I147 HydrophobicContact CG1-CD1 4.04Å; V143-I147 WeakPolarHBondContact O-CG1 3.44Å; V143-I147 PolarHBondContact O-N 3.35Å; F144-I147 PolarHBondContact O-N 3Å; I147-S150 PolarHBondContact O-N 2.95Å; I147-L151 HydrophobicContact CG2-CD1 3.98Å; I147-L151 PolarHBondContact O-N 3.38Å
148	V	48.4	Very low	49.4	Very low	68 Å²	68	101.5 Å²	101.5	41%	0.412	51%	0.51	S	S	.	.	H	α-helix	trans	-63.7	-44.1	177.7	173.5	0	0	0	0	111.1	F144 K145 S150 L151 V152	F144-V148 HydrophobicContact CD1-CG2 3.98Å; F144-V148 HydrophobicContact CE1-CG2 3.86Å; F144-V148 VanDerWaalsContact O-CG2 3.32Å; F144-V148 WeakPolarHBondContact O-CG2 3.48Å; F144-V148 PolarHBondContact O-N 2.92Å; K145-V148 PolarHBondContact O-N 3.41Å; V148-S150 VanDerWaalsContact C-N 3.33Å; V148-S150 PolarHBondContact O-N 3.46Å; V148-L151 PolarHBondContact O-N 3.25Å; V148-V152 WeakPolarHBondContact O-CG2 3.06Å; V148-V152 PolarHBondContact O-N 3.25Å
149	Y	50.5	Low	49.9	Very low	114 Å²	114	97.1 Å²	97.1	45%	0.447	50%	0.495	S	S	.	.	H	α-helix	trans	-61.6	-39.7	174.5	-81.2	-56.8	0	0	0	112.6	K145 F146 V152 C153	K145-Y149 HydrophobicContact CD-CE2 3.83Å; K145-Y149 WeakPolarHBondContact CE-OH 3.48Å; K145-Y149 HydrophobicContact CG-CD2 3.94Å; K145-Y149 HydrophobicContact CG-CE2 3.55Å; K145-Y149 WeakPolarHBondContact O-CB 3.35Å; K145-Y149 WeakPolarHBondContact O-CD2 3.44Å; K145-Y149 PolarHBondContact O-N 3.48Å; F146-Y149 PolarHBondContact O-N 2.99Å; Y149-V152 PolarHBondContact O-N 2.93Å; Y149-C153 WeakPolarHBondContact O-CB 3.4Å; Y149-C153 PolarHBondContact O-N 2.95Å; Y149-C153 PolarHBondContact O-SG 3.47Å; Y149-C153 VanDerWaalsContact O-SG 3.39Å
150	S	47	Very low	50.2	Low	45 Å²	45	95.1 Å²	95.1	32%	0.315	49%	0.491	S	S	.	.	H	α-helix	trans	-64.8	-42.3	177.8	-58.8	0	0	0	0	111.8	F146 I147 V148 C153 I154	F146-S150 WeakPolarHBondContact O-CB 3.25Å; F146-S150 PolarHBondContact O-N 2.93Å; F146-S150 PolarHBondContact O-OG 2.87Å; I147-S150 PolarHBondContact O-N 2.95Å; V148-S150 VanDerWaalsContact C-N 3.33Å; V148-S150 PolarHBondContact O-N 3.46Å; S150-C153 PolarHBondContact O-N 2.98Å; S150-I154 VanDerWaalsContact O-CG1 3.26Å; S150-I154 WeakPolarHBondContact O-CG1 3.32Å; S150-I154 PolarHBondContact O-N 3.11Å
151	L	50	Low	50.5	Low	95 Å²	95	95 Å²	95	50%	0.497	49%	0.486	S	S	.	.	H	α-helix	trans	-63.7	-40.2	175	-88.7	154.2	0	0	0	112.6	I147 V148 I154 N155	I147-L151 HydrophobicContact CG2-CD1 3.98Å; I147-L151 PolarHBondContact O-N 3.38Å; V148-L151 PolarHBondContact O-N 3.25Å; L151-I154 PolarHBondContact O-N 3.05Å; L151-N155 WeakPolarHBondContact O-CB 3.39Å; L151-N155 PolarHBondContact O-N 3.43Å; L151-N155 PolarHBondContact O-ND2 2.92Å
152	V	54.4	Low	50.6	Low	70 Å²	70	92.1 Å²	92.1	42%	0.424	49%	0.485	S	S	.	.	H	α-helix	trans	-65	-44.4	174.9	172.7	0	0	0	0	110.7	V148 Y149 I154 N155 I156	V148-V152 WeakPolarHBondContact O-CG2 3.06Å; V148-V152 PolarHBondContact O-N 3.25Å; Y149-V152 PolarHBondContact O-N 2.93Å; V152-I154 PolarHBondContact O-N 3.37Å; V152-N155 PolarHBondContact O-N 3.01Å; V152-I156 HydrophobicContact CG1-CD1 3.86Å; V152-I156 VanDerWaalsContact O-CG1 3.3Å; V152-I156 WeakPolarHBondContact O-CG1 3.38Å; V152-I156 PolarHBondContact O-N 3.38Å
153	C	49.6	Very low	50.9	Low	76 Å²	76	92.1 Å²	92.1	51%	0.514	49%	0.485	S	S	.	.	H	α-helix	trans	-61.4	-41.9	175.8	-75.6	0	0	0	0	112.6	Y149 S150 I156 L157	Y149-C153 WeakPolarHBondContact O-CB 3.4Å; Y149-C153 PolarHBondContact O-N 2.95Å; Y149-C153 PolarHBondContact O-SG 3.47Å; Y149-C153 VanDerWaalsContact O-SG 3.39Å; S150-C153 PolarHBondContact O-N 2.98Å; C153-I156 PolarHBondContact O-N 2.96Å; C153-L157 PolarHBondContact O-N 3.37Å
154	I	56.3	Low	50.9	Low	107 Å²	107	96.8 Å²	96.8	55%	0.549	49%	0.494	S	S	.	.	H	α-helix	trans	-63.7	-43.4	176.8	-69.7	164.4	0	0	0	110.8	S150 L151 V152 I156 L157 L158	S150-I154 VanDerWaalsContact O-CG1 3.26Å; S150-I154 WeakPolarHBondContact O-CG1 3.32Å; S150-I154 PolarHBondContact O-N 3.11Å; L151-I154 PolarHBondContact O-N 3.05Å; V152-I154 PolarHBondContact O-N 3.37Å; I154-I156 PolarHBondContact O-N 3.31Å; I154-L157 PolarHBondContact O-N 2.99Å; I154-L158 WeakPolarHBondContact O-CB 3.45Å; I154-L158 PolarHBondContact O-N 3.34Å
155	N	51.4	Low	50.9	Low	99 Å²	99	93 Å²	93	53%	0.529	49%	0.489	S	S	.	.	H	α-helix	trans	-65.3	-37.7	177.4	-78	-31.7	0	0	0	112.5	L151 V152 L158 S159	L151-N155 WeakPolarHBondContact O-CB 3.39Å; L151-N155 PolarHBondContact O-N 3.43Å; L151-N155 PolarHBondContact O-ND2 2.92Å; V152-N155 PolarHBondContact O-N 3.01Å; N155-L158 PolarHBondContact O-N 3.35Å; N155-S159 WeakPolarHBondContact O-CB 3.42Å; N155-S159 PolarHBondContact O-N 3.43Å; N155-S159 PolarHBondContact O-OG 3.46Å
156	I	57	Low	50.8	Low	91 Å²	91	94.7 Å²	94.7	47%	0.467	50%	0.499	S	S	.	.	H	α-helix	trans	-64	-45.7	173	-68.1	167	0	0	0	110.2	V152 C153 I154 L158 S159 L160	V152-I156 HydrophobicContact CG1-CD1 3.86Å; V152-I156 VanDerWaalsContact O-CG1 3.3Å; V152-I156 WeakPolarHBondContact O-CG1 3.38Å; V152-I156 PolarHBondContact O-N 3.38Å; C153-I156 PolarHBondContact O-N 2.96Å; I154-I156 PolarHBondContact O-N 3.31Å; I156-L158 PolarHBondContact O-N 3.47Å; I156-S159 PolarHBondContact O-N 2.94Å; I156-S159 PolarHBondContact O-OG 2.98Å; I156-L160 HydrophobicContact CG2-CD1 4.11Å; I156-L160 PolarHBondContact O-N 3.27Å
157	L	50.6	Low	50.7	Low	111 Å²	111	91.2 Å²	91.2	58%	0.581	49%	0.488	S	S	*	.	H	α-helix	trans	-61.3	-43.4	177.4	-125.7	101.2	0	0	0	112.1	C153 I154 S159 L160 I161	C153-L157 PolarHBondContact O-N 3.37Å; I154-L157 PolarHBondContact O-N 2.99Å; L157-S159 VanDerWaalsContact C-N 3.34Å; L157-L160 WeakPolarHBondContact O-CB 3.24Å; L157-L160 PolarHBondContact O-N 2.97Å; L157-I161 WeakPolarHBondContact O-CG1 3.46Å; L157-I161 PolarHBondContact O-N 2.77Å
158	L	53.5	Low	50.3	Low	97 Å²	97	90.5 Å²	90.5	51%	0.508	49%	0.49	S	S	.	.	H	α-helix	trans	-65.6	-38.5	178.5	-159.4	74.9	0	0	0	111.3	I154 N155 I156 I161 C162	I154-L158 WeakPolarHBondContact O-CB 3.45Å; I154-L158 PolarHBondContact O-N 3.34Å; N155-L158 PolarHBondContact O-N 3.35Å; I156-L158 PolarHBondContact O-N 3.47Å; L158-I161 PolarHBondContact O-N 3.1Å; L158-C162 PolarHBondContact O-N 3.41Å; L158-C162 PolarHBondContact O-SG 3.04Å
159	S	53.3	Low	50.1	Low	31 Å²	31	90.8 Å²	90.8	22%	0.217	50%	0.495	C	S	.	.	H	α-helix	trans	-64.4	-38.3	174.8	75.4	0	0	0	0	112.7	N155 I156 L157 C162 L163 F721	N155-S159 WeakPolarHBondContact O-CB 3.42Å; N155-S159 PolarHBondContact O-N 3.43Å; N155-S159 PolarHBondContact O-OG 3.46Å; I156-S159 PolarHBondContact O-N 2.94Å; I156-S159 PolarHBondContact O-OG 2.98Å; L157-S159 VanDerWaalsContact C-N 3.34Å; S159-C162 PolarHBondContact O-N 3.49Å; S159-L163 WeakPolarHBondContact O-CB 3.33Å; S159-L163 PolarHBondContact O-N 3.4Å; S159-F721 VanDerWaalsContact CB-CE2 3.43Å
160	L	53.2	Low	49.7	Very low	104 Å²	104	90.9 Å²	90.9	55%	0.545	50%	0.501	S	S	.	.	H	α-helix	trans	-65.3	-41.1	174.6	-79.6	161.2	0	0	0	111.7	I156 L157 L163 Y164	I156-L160 HydrophobicContact CG2-CD1 4.11Å; I156-L160 PolarHBondContact O-N 3.27Å; L157-L160 WeakPolarHBondContact O-CB 3.24Å; L157-L160 PolarHBondContact O-N 2.97Å; L160-L163 WeakPolarHBondContact O-CB 3.43Å; L160-L163 PolarHBondContact O-N 3.45Å; L160-Y164 WeakPolarHBondContact O-CB 3.29Å; L160-Y164 PolarHBondContact O-N 3.21Å
161	I	54	Low	49.6	Very low	102 Å²	102	93.4 Å²	93.4	52%	0.523	51%	0.51	S	S	.	.	H	α-helix	trans	-65.4	-43.4	176.6	-67	164.8	0	0	0	111	L157 L158 L163 Y164 A165	L157-I161 WeakPolarHBondContact O-CG1 3.46Å; L157-I161 PolarHBondContact O-N 2.77Å; L158-I161 PolarHBondContact O-N 3.1Å; I161-L163 VanDerWaalsContact C-N 3.34Å; I161-L163 PolarHBondContact O-N 3.44Å; I161-Y164 PolarHBondContact O-N 3.26Å; I161-A165 PolarHBondContact O-N 3.11Å
162	C	48.1	Very low	49.4	Very low	76 Å²	76	95.9 Å²	95.9	51%	0.514	52%	0.519	S	S	.	.	H	α-helix	trans	-63.7	-38.6	175.3	-73.4	0	0	0	0	112.4	L158 S159 Y164 A165 M166	L158-C162 PolarHBondContact O-N 3.41Å; L158-C162 PolarHBondContact O-SG 3.04Å; S159-C162 PolarHBondContact O-N 3.49Å; C162-Y164 VanDerWaalsContact C-N 3.33Å; C162-A165 PolarHBondContact O-N 2.84Å; C162-M166 PolarHBondContact O-N 3.44Å
163	L	50.9	Low	48.8	Very low	98 Å²	98	97.5 Å²	97.5	51%	0.513	52%	0.521	S	S	.	.	H	α-helix	trans	-61	-44.7	174.2	-142.1	96.7	0	0	0	110.8	S159 L160 I161 A165 M166 D167	S159-L163 WeakPolarHBondContact O-CB 3.33Å; S159-L163 PolarHBondContact O-N 3.4Å; L160-L163 WeakPolarHBondContact O-CB 3.43Å; L160-L163 PolarHBondContact O-N 3.45Å; I161-L163 VanDerWaalsContact C-N 3.34Å; I161-L163 PolarHBondContact O-N 3.44Å; L163-A165 VanDerWaalsContact C-N 3.35Å; L163-A165 PolarHBondContact O-N 3.3Å; L163-M166 PolarHBondContact O-N 3.1Å; L163-D167 PolarHBondContact O-N 3.23Å
164	Y	47	Very low	48.5	Very low	187 Å²	187	99.6 Å²	99.6	73%	0.733	52%	0.521	S	S	*	.	H	α-helix	trans	-64.8	-36.7	178.3	-153.7	-87.7	0	0	0	112.6	L160 I161 C162 D167 S168	L160-Y164 WeakPolarHBondContact O-CB 3.29Å; L160-Y164 PolarHBondContact O-N 3.21Å; I161-Y164 PolarHBondContact O-N 3.26Å; C162-Y164 VanDerWaalsContact C-N 3.33Å; Y164-D167 PolarHBondContact O-N 2.84Å; Y164-S168 PolarHBondContact O-N 3.17Å; Y164-S168 VanDerWaalsContact O-N 3.17Å
165	A	46.1	Very low	48	Very low	62 Å²	62	97.9 Å²	97.9	51%	0.512	52%	0.519	S	S	.	.	H	α-helix	trans	-69.3	-39.6	176.2	0	0	0	0	0	112.6	I161 C162 L163 S169	I161-A165 PolarHBondContact O-N 3.11Å; C162-A165 PolarHBondContact O-N 2.84Å; L163-A165 VanDerWaalsContact C-N 3.35Å; L163-A165 PolarHBondContact O-N 3.3Å; A165-S169 PolarHBondContact O-N 3.06Å
166	M	46.9	Very low	48	Very low	118 Å²	118	100.6 Å²	100.6	58%	0.581	53%	0.526	S	S	*	.	H	α-helix	trans	-62.7	-42.7	172.9	-87.8	-169.5	163.1	0	0	111.6	C162 L163 S168 S169 M170	C162-M166 PolarHBondContact O-N 3.44Å; L163-M166 PolarHBondContact O-N 3.1Å; M166-S168 PolarHBondContact O-N 2.96Å; M166-S169 PolarHBondContact O-N 3.4Å; M166-S169 PolarHBondContact O-OG 3.35Å; M166-M170 PolarHBondContact O-N 3.03Å
167	D	45	Very low	47.7	Very low	77 Å²	77	99.4 Å²	99.4	41%	0.412	52%	0.517	S	S	.	.	H	α-helix	trans	-61.4	-44.2	-179.7	-144.7	6.9	0	0	0	111.7	L163 Y164 S169 M170 I171	L163-D167 PolarHBondContact O-N 3.23Å; Y164-D167 PolarHBondContact O-N 2.84Å; D167-S169 PolarHBondContact O-N 3.36Å; D167-M170 PolarHBondContact O-N 3.48Å; D167-I171 WeakPolarHBondContact O-CD1 3.32Å; D167-I171 WeakPolarHBondContact O-CG1 3.3Å; D167-I171 PolarHBondContact O-N 3.5Å
168	S	42.4	Very low	47.8	Very low	72 Å²	72	96 Å²	96	50%	0.503	50%	0.502	S	S	.	.	H	α-helix	trans	-58.8	-43.1	176.3	-179.8	0	0	0	0	113.2	Y164 M166 I171 Q172	Y164-S168 PolarHBondContact O-N 3.17Å; Y164-S168 VanDerWaalsContact O-N 3.17Å; M166-S168 PolarHBondContact O-N 2.96Å; S168-I171 PolarHBondContact O-N 2.85Å; S168-Q172 PolarHBondContact O-N 3.35Å
169	S	45.5	Very low	47.9	Very low	74 Å²	74	97.1 Å²	97.1	52%	0.517	51%	0.508	S	S	.	.	H	α-helix	trans	-70.1	-34.1	178.4	67.8	0	0	0	0	113.2	A165 M166 D167 F173	A165-S169 PolarHBondContact O-N 3.06Å; M166-S169 PolarHBondContact O-N 3.4Å; M166-S169 PolarHBondContact O-OG 3.35Å; D167-S169 PolarHBondContact O-N 3.36Å; S169-F173 PolarHBondContact O-N 3.23Å
170	M	42.4	Very low	48.2	Very low	117 Å²	117	99.2 Å²	99.2	58%	0.576	52%	0.517	S	S	*	.	H	α-helix	trans	-71.8	-35.6	175.4	-82	-72.8	-155	0	0	112.4	M166 D167 F173 K174	M166-M170 PolarHBondContact O-N 3.03Å; D167-M170 PolarHBondContact O-N 3.48Å; M170-F173 WeakPolarHBondContact O-CB 3.37Å; M170-F173 PolarHBondContact O-N 3.33Å; M170-K174 WeakPolarHBondContact O-CB 3.48Å; M170-K174 PolarHBondContact O-N 2.98Å
171	I	44.3	Very low	48.3	Very low	98 Å²	98	94.9 Å²	94.9	50%	0.503	49%	0.494	S	S	.	.	H	α-helix	trans	-67.3	-37.9	177.3	-68.1	161.8	0	0	0	111.6	D167 S168 K174 S175	D167-I171 WeakPolarHBondContact O-CD1 3.32Å; D167-I171 WeakPolarHBondContact O-CG1 3.3Å; D167-I171 PolarHBondContact O-N 3.5Å; S168-I171 PolarHBondContact O-N 2.85Å; I171-K174 WeakPolarHBondContact O-CB 3.32Å; I171-K174 PolarHBondContact O-N 3.32Å; I171-S175 PolarHBondContact O-N 3.38Å
172	Q	44.6	Very low	48.6	Very low	146 Å²	146	93.2 Å²	93.2	68%	0.682	49%	0.486	S	S	*	.	H	α-helix	trans	-66.7	-38.1	172.8	-85.2	-170.6	-11.3	0	0	112.4	S168 K174 S175 K176	S168-Q172 PolarHBondContact O-N 3.35Å; Q172-K174 VanDerWaalsContact C-N 3.34Å; Q172-S175 PolarHBondContact O-OG 3Å; Q172-K176 PolarHBondContact O-N 3.29Å
173	F	43.7	Very low	49.4	Very low	104 Å²	104	95.9 Å²	95.9	46%	0.456	49%	0.489	S	S	.	.	H	α-helix	trans	-62.1	-42	174	-169.3	-95.7	0	0	0	111.5	S169 M170 K176 F177 I697	S169-F173 PolarHBondContact O-N 3.23Å; M170-F173 WeakPolarHBondContact O-CB 3.37Å; M170-F173 PolarHBondContact O-N 3.33Å; F173-K176 PolarHBondContact O-N 3.14Å; F173-F177 HydrophobicContact CE1-CB 4.46Å; F173-F177 HydrophobicContact CE1-CD2 4.19Å; F173-F177 HydrophobicContact CE1-CG 4.35Å; F173-F177 HydrophobicContact CZ-CD2 4.03Å; F173-F177 HydrophobicContact CZ-CE2 4.47Å; F173-F177 WeakPolarHBondContact O-CB 3.26Å; F173-F177 PolarHBondContact O-N 2.7Å; F173-F177 VanDerWaalsContact O-N 3.1Å; F173-I697 HydrophobicContact CE2-CD1 4.21Å
174	K	42.7	Very low	50	Low	121 Å²	121	94.2 Å²	94.2	53%	0.526	48%	0.479	S	S	.	.	H	α-helix	trans	-54.4	-53.9	177.7	-176.8	-179.1	179.9	177.4	0	113.1	M170 I171 Q172 K176 F177 T178	M170-K174 WeakPolarHBondContact O-CB 3.48Å; M170-K174 PolarHBondContact O-N 2.98Å; I171-K174 WeakPolarHBondContact O-CB 3.32Å; I171-K174 PolarHBondContact O-N 3.32Å; Q172-K174 VanDerWaalsContact C-N 3.34Å; K174-K176 VanDerWaalsContact C-N 3.32Å; K174-K176 PolarHBondContact O-N 3.02Å; K174-F177 PolarHBondContact O-N 3.47Å; K174-T178 PolarHBondContact O-N 3.28Å; K174-T178 PolarHBondContact O-OG1 2.95Å
175	S	46.1	Very low	50.6	Low	71 Å²	71	85.6 Å²	85.6	50%	0.497	45%	0.446	S	S	.	.	H	α-helix	trans	-65.9	-33.6	-176.5	68.2	0	0	0	0	113.2	I171 Q172	I171-S175 PolarHBondContact O-N 3.38Å; Q172-S175 PolarHBondContact O-OG 3Å
176	K	51.2	Low	51.5	Low	156 Å²	156	87.7 Å²	87.7	68%	0.678	45%	0.445	S	S	*	.	H	α-helix	trans	-83.2	-22.9	-175.8	-146.8	174.4	-173.1	179.4	0	112.8	Q172 F173 K174 N180	Q172-K176 PolarHBondContact O-N 3.29Å; F173-K176 PolarHBondContact O-N 3.14Å; K174-K176 VanDerWaalsContact C-N 3.32Å; K174-K176 PolarHBondContact O-N 3.02Å; K176-N180 WeakPolarHBondContact O-CB 3.49Å; K176-N180 PolarHBondContact O-ND2 3.01Å
177	F	49.6	Very low	52.5	Low	66 Å²	66	85.6 Å²	85.6	29%	0.289	44%	0.436	S	S	.	.	H	α-helix	trans	-88.3	-41.3	-178.1	-160.8	-93.5	0	0	0	112.5	F173 K174 T181 I688	F173-F177 HydrophobicContact CE1-CB 4.46Å; F173-F177 HydrophobicContact CE1-CD2 4.19Å; F173-F177 HydrophobicContact CE1-CG 4.35Å; F173-F177 HydrophobicContact CZ-CD2 4.03Å; F173-F177 HydrophobicContact CZ-CE2 4.47Å; F173-F177 WeakPolarHBondContact O-CB 3.26Å; F173-F177 PolarHBondContact O-N 2.7Å; F173-F177 VanDerWaalsContact O-N 3.1Å; K174-F177 PolarHBondContact O-N 3.47Å; F177-T181 HydrophobicContact CD1-CG2 4.36Å; F177-T181 HydrophobicContact CE1-CG2 4.27Å; F177-T181 HydrophobicContact CZ-CG2 4.43Å; F177-T181 WeakPolarHBondContact O-CB 3.4Å; F177-T181 WeakPolarHBondContact O-CG2 3.38Å; F177-T181 PolarHBondContact O-N 3.26Å; F177-T181 PolarHBondContact O-OG1 3.28Å; F177-I688 HydrophobicContact CZ-CG2 4.36Å
178	T	53.2	Low	53.3	Low	40 Å²	40	82.6 Å²	82.6	25%	0.245	42%	0.42	C	S	.	.	H	α-helix	trans	-74.2	-46	-176.3	34.1	0	0	0	0	113.4	K174 T181	K174-T178 PolarHBondContact O-N 3.28Å; K174-T178 PolarHBondContact O-OG1 2.95Å; T178-T181 PolarHBondContact O-OG1 2.86Å
179	D	55.2	Low	54.4	Low	120 Å²	120	80 Å²	80	64%	0.642	40%	0.4	S	S	*	.	H	α-helix	trans	-74	-33.8	-176.5	-69.6	-19.4	0	0	0	113.3	K183	D179-K183 WeakPolarHBondContact O-CB 3.49Å; D179-K183 PolarHBondContact O-N 2.95Å
180	N	59.5	Low	55.4	Low	75 Å²	75	82.3 Å²	82.3	40%	0.401	40%	0.403	S	S	.	.	H	α-helix	trans	-76.9	-35.3	-179.3	-74.1	-38.2	0	0	0	112.6	K176 Q184	K176-N180 WeakPolarHBondContact O-CB 3.49Å; K176-N180 PolarHBondContact O-ND2 3.01Å; N180-Q184 VanDerWaalsContact O-CB 3.26Å; N180-Q184 WeakPolarHBondContact O-CB 3.47Å; N180-Q184 WeakPolarHBondContact O-CG 3.35Å; N180-Q184 PolarHBondContact O-N 2.93Å
181	T	56.6	Low	56.6	Low	12 Å²	12	80.7 Å²	80.7	7%	0.074	40%	0.397	C	S	.	.	H	α-helix	trans	-70.8	-44.8	-177.1	50.8	0	0	0	0	111.4	F177 T178 K183 Q184 T185 I688	F177-T181 HydrophobicContact CD1-CG2 4.36Å; F177-T181 HydrophobicContact CE1-CG2 4.27Å; F177-T181 HydrophobicContact CZ-CG2 4.43Å; F177-T181 WeakPolarHBondContact O-CB 3.4Å; F177-T181 WeakPolarHBondContact O-CG2 3.38Å; F177-T181 PolarHBondContact O-N 3.26Å; F177-T181 PolarHBondContact O-OG1 3.28Å; T178-T181 PolarHBondContact O-OG1 2.86Å; T181-K183 PolarHBondContact O-N 3.46Å; T181-Q184 PolarHBondContact O-N 3.49Å; T181-T185 WeakPolarHBondContact O-CB 3.36Å; T181-T185 PolarHBondContact O-N 3.49Å; T181-T185 PolarHBondContact O-OG1 3.38Å; T181-I688 HydrophobicContact CG2-CG1 4.25Å; T181-I688 HydrophobicContact CG2-CG2 4.34Å
182	L	59.8	Low	57.7	Low	68 Å²	68	76.1 Å²	76.1	36%	0.356	37%	0.373	S	S	.	.	H	α-helix	trans	-61.5	-47.1	177	-171.1	73.3	0	0	0	111.7	Q184 T185 Q186	L182-Q184 PolarHBondContact O-N 3.01Å; L182-T185 PolarHBondContact O-N 3.36Å; L182-Q186 WeakPolarHBondContact O-CG 3.35Å; L182-Q186 PolarHBondContact O-N 3.31Å
183	K	64.3	Low	58.6	Low	131 Å²	131	71.3 Å²	71.3	57%	0.57	35%	0.351	S	S	*	.	H	α-helix	trans	-64.1	-41.4	179.7	-173.5	176	-178.7	176.9	0	112.6	D179 T181 T185 Q186 N187	D179-K183 WeakPolarHBondContact O-CB 3.49Å; D179-K183 PolarHBondContact O-N 2.95Å; T181-K183 PolarHBondContact O-N 3.46Å; K183-T185 VanDerWaalsContact C-N 3.33Å; K183-Q186 PolarHBondContact O-N 3.42Å; K183-N187 WeakPolarHBondContact O-CB 3.27Å; K183-N187 VanDerWaalsContact O-CG 3.24Å; K183-N187 PolarHBondContact O-N 3.39Å; K183-N187 PolarHBondContact O-OD1 3.41Å
184	Q	62.9	Low	59.7	Low	64 Å²	64	71.5 Å²	71.5	30%	0.299	36%	0.355	S	S	.	.	H	α-helix	trans	-64.6	-40.6	175.3	-77.1	175.5	-9.8	0	0	111.4	N180 T181 L182 N187 T188	N180-Q184 VanDerWaalsContact O-CB 3.26Å; N180-Q184 WeakPolarHBondContact O-CB 3.47Å; N180-Q184 WeakPolarHBondContact O-CG 3.35Å; N180-Q184 PolarHBondContact O-N 2.93Å; T181-Q184 PolarHBondContact O-N 3.49Å; L182-Q184 PolarHBondContact O-N 3.01Å; Q184-N187 PolarHBondContact O-N 3.14Å; Q184-T188 PolarHBondContact O-N 3.42Å; Q184-T188 PolarHBondContact O-OG1 3.12Å; Q184-T188 VanDerWaalsContact O-OG1 3.06Å
185	T	60.3	Low	60.9	Low	6 Å²	6	68.6 Å²	68.6	4%	0.037	35%	0.345	C	S	.	.	H	α-helix	trans	-63.3	-44.6	177.5	-46.3	0	0	0	0	111.3	T181 L182 K183 T188 F189 L684	T181-T185 WeakPolarHBondContact O-CB 3.36Å; T181-T185 PolarHBondContact O-N 3.49Å; T181-T185 PolarHBondContact O-OG1 3.38Å; L182-T185 PolarHBondContact O-N 3.36Å; K183-T185 VanDerWaalsContact C-N 3.33Å; T185-T188 PolarHBondContact O-N 3.47Å; T185-F189 HydrophobicContact CG2-CD2 3.93Å; T185-F189 HydrophobicContact CG2-CE2 3.39Å; T185-F189 HydrophobicContact CG2-CZ 4.25Å; T185-F189 WeakPolarHBondContact O-CD2 3.33Å; T185-F189 PolarHBondContact O-N 2.74Å; T185-L684 HydrophobicContact CG2-CD1 3.88Å
186	Q	64.3	Low	61.8	Low	105 Å²	105	66 Å²	66	49%	0.491	33%	0.326	S	S	.	.	H	α-helix	trans	-60.8	-47.1	174.9	-73.9	174.9	-28.5	0	0	112.4	L182 K183 T188 F189 E190	L182-Q186 WeakPolarHBondContact O-CG 3.35Å; L182-Q186 PolarHBondContact O-N 3.31Å; K183-Q186 PolarHBondContact O-N 3.42Å; Q186-T188 VanDerWaalsContact C-N 3.34Å; Q186-T188 PolarHBondContact O-N 2.94Å; Q186-F189 PolarHBondContact O-N 3.31Å; Q186-F189 VanDerWaalsContact O-N 3.15Å; Q186-E190 PolarHBondContact O-N 3.4Å
187	N	68.1	Low	62.3	Low	74 Å²	74	61.7 Å²	61.7	40%	0.396	31%	0.309	S	S	.	.	H	α-helix	trans	-61.5	-40.6	178.4	-72.9	0.7	0	0	0	112.5	K183 Q184 F189 E190 N191	K183-N187 WeakPolarHBondContact O-CB 3.27Å; K183-N187 VanDerWaalsContact O-CG 3.24Å; K183-N187 PolarHBondContact O-N 3.39Å; K183-N187 PolarHBondContact O-OD1 3.41Å; Q184-N187 PolarHBondContact O-N 3.14Å; N187-F189 VanDerWaalsContact C-N 3.32Å; N187-E190 PolarHBondContact O-N 2.71Å; N187-N191 VanDerWaalsContact O-CG 3.32Å; N187-N191 PolarHBondContact O-N 2.99Å
188	T	63.7	Low	63.2	Low	15 Å²	15	62.6 Å²	62.6	9%	0.092	32%	0.317	C	S	.	.	H	α-helix	trans	-63.2	-41	175.9	-61.2	0	0	0	0	110.7	Q184 T185 Q186 N191 V192 E680 L684	Q184-T188 PolarHBondContact O-N 3.42Å; Q184-T188 PolarHBondContact O-OG1 3.12Å; Q184-T188 VanDerWaalsContact O-OG1 3.06Å; T185-T188 PolarHBondContact O-N 3.47Å; Q186-T188 VanDerWaalsContact C-N 3.34Å; Q186-T188 PolarHBondContact O-N 2.94Å; T188-N191 PolarHBondContact O-N 3.49Å; T188-V192 VanDerWaalsContact O-CG2 3.28Å; T188-V192 WeakPolarHBondContact O-CG2 3.49Å; T188-V192 PolarHBondContact O-N 3.33Å; T188-E680 HydrophobicContact CG2-CB 3.86Å; T188-L684 HydrophobicContact CG2-CB 4.42Å; T188-L684 HydrophobicContact CG2-CD1 4.24Å
189	F	64.9	Low	63.8	Low	16 Å²	16	63.5 Å²	63.5	7%	0.07	32%	0.318	C	S	.	.	H	α-helix	trans	-64.7	-43.3	174.9	-74.7	-53	0	0	0	113.2	T185 Q186 N187 N191 V192 I193 F360 F363 F681	T185-F189 HydrophobicContact CG2-CD2 3.93Å; T185-F189 HydrophobicContact CG2-CE2 3.39Å; T185-F189 HydrophobicContact CG2-CZ 4.25Å; T185-F189 WeakPolarHBondContact O-CD2 3.33Å; T185-F189 PolarHBondContact O-N 2.74Å; Q186-F189 PolarHBondContact O-N 3.31Å; Q186-F189 VanDerWaalsContact O-N 3.15Å; N187-F189 VanDerWaalsContact C-N 3.32Å; F189-N191 VanDerWaalsContact C-N 3.32Å; F189-N191 PolarHBondContact O-N 3.49Å; F189-V192 PolarHBondContact O-N 3.02Å; F189-I193 VanDerWaalsContact O-CG1 3.3Å; F189-I193 WeakPolarHBondContact O-CG1 3.48Å; F189-I193 PolarHBondContact O-N 3.21Å; F189-F360 HydrophobicContact CD1-CB 4.48Å; F189-F360 AromaticContact CD1-CD1 3.26Å; F189-F360 HydrophobicContact CD1-CD1 3.26Å; F189-F360 AromaticContact CD1-CE1 3.54Å; F189-F360 HydrophobicContact CD1-CE1 3.54Å; F189-F360 AromaticContact CD1-CG 3.95Å; F189-F360 HydrophobicContact CD1-CG 3.95Å; F189-F360 HydrophobicContact CD1-CZ 4.4Å; F189-F360 AromaticContact CE1-CD1 3.32Å; F189-F360 HydrophobicContact CE1-CD1 3.32Å; F189-F360 AromaticContact CE1-CE1 3.68Å; F189-F360 HydrophobicContact CE1-CE1 3.68Å; F189-F360 HydrophobicContact CE1-CG 4.3Å; F189-F360 HydrophobicContact CG-CD1 4.35Å; F189-F360 HydrophobicContact CZ-CD1 4.4Å; F189-F363 HydrophobicContact CE1-CD1 4.28Å; F189-F363 HydrophobicContact CE2-CD1 4.11Å; F189-F363 AromaticContact CZ-CD1 3.37Å; F189-F363 HydrophobicContact CZ-CD1 3.37Å; F189-F363 AromaticContact CZ-CE1 3.85Å; F189-F363 HydrophobicContact CZ-CE1 3.85Å; F189-F363 HydrophobicContact CZ-CG 4.18Å; F189-F681 HydrophobicContact CE1-CE2 4.26Å; F189-F681 AromaticContact CE1-CZ 3.79Å; F189-F681 HydrophobicContact CE1-CZ 3.79Å; F189-F681 HydrophobicContact CZ-CZ 4.03Å
190	E	66.2	Low	64.3	Low	123 Å²	123	58 Å²	58	58%	0.575	29%	0.289	S	S	*	.	H	α-helix	trans	-60.3	-41.9	175.7	-72.9	-177.9	174.1	0	0	111.9	Q186 N187 I193 M194	Q186-E190 PolarHBondContact O-N 3.4Å; N187-E190 PolarHBondContact O-N 2.71Å; E190-I193 PolarHBondContact O-N 3.01Å; E190-M194 WeakPolarHBondContact O-CB 3.5Å; E190-M194 WeakPolarHBondContact O-CG 3.39Å; E190-M194 PolarHBondContact O-N 2.88Å
191	N	68.4	Low	64.4	Low	84 Å²	84	56.6 Å²	56.6	45%	0.449	29%	0.285	S	S	.	.	H	α-helix	trans	-63.8	-42.3	176.7	-75	-12.3	0	0	0	112.5	N187 T188 F189 M194 N195	N187-N191 VanDerWaalsContact O-CG 3.32Å; N187-N191 PolarHBondContact O-N 2.99Å; T188-N191 PolarHBondContact O-N 3.49Å; F189-N191 VanDerWaalsContact C-N 3.32Å; F189-N191 PolarHBondContact O-N 3.49Å; N191-M194 PolarHBondContact O-N 3.44Å; N191-N195 WeakPolarHBondContact O-CB 3.49Å; N191-N195 PolarHBondContact O-N 2.97Å; N191-N195 PolarHBondContact O-ND2 2.92Å
192	V	65.5	Low	64.9	Low	1 Å²	1	59.7 Å²	59.7	1%	0.006	30%	0.3	C	S	.	.	H	α-helix	trans	-62.4	-46.6	176.9	172.3	0	0	0	0	110.5	T188 F189 M194 N195 E196 F360 L677 E680	T188-V192 VanDerWaalsContact O-CG2 3.28Å; T188-V192 WeakPolarHBondContact O-CG2 3.49Å; T188-V192 PolarHBondContact O-N 3.33Å; F189-V192 PolarHBondContact O-N 3.02Å; V192-M194 PolarHBondContact O-N 2.68Å; V192-N195 PolarHBondContact O-N 3.14Å; V192-E196 WeakPolarHBondContact O-CB 3.4Å; V192-E196 PolarHBondContact O-N 2.9Å; V192-F360 HydrophobicContact CB-CZ 4.37Å; V192-F360 HydrophobicContact CG1-CE1 4.32Å; V192-F360 HydrophobicContact CG1-CE2 4.46Å; V192-F360 HydrophobicContact CG1-CZ 3.61Å; V192-L677 HydrophobicContact CG1-CD2 3.59Å; V192-L677 HydrophobicContact CG1-CG 4.49Å; V192-L677 HydrophobicContact CG2-CD2 4.37Å; V192-E680 HydrophobicContact CG2-CB 3.76Å; V192-E680 HydrophobicContact CG2-CG 3.76Å
193	I	64.6	Low	65.1	Low	45 Å²	45	56.7 Å²	56.7	23%	0.231	29%	0.285	C	S	.	.	H	α-helix	trans	-59.9	-47.2	178.2	-69	166.2	0	0	0	110.7	F189 E190 N195 E196 I197 F360	F189-I193 VanDerWaalsContact O-CG1 3.3Å; F189-I193 WeakPolarHBondContact O-CG1 3.48Å; F189-I193 PolarHBondContact O-N 3.21Å; E190-I193 PolarHBondContact O-N 3.01Å; I193-N195 VanDerWaalsContact C-N 3.35Å; I193-N195 PolarHBondContact O-N 3.23Å; I193-E196 PolarHBondContact O-N 3.5Å; I193-I197 HydrophobicContact CG2-CD1 3.83Å; I193-I197 VanDerWaalsContact O-CG1 3.26Å; I193-I197 WeakPolarHBondContact O-CG1 3.49Å; I193-I197 PolarHBondContact O-N 3.49Å; I193-F360 HydrophobicContact CD1-CD2 4.12Å; I193-F360 HydrophobicContact CD1-CE2 4.28Å; I193-F360 HydrophobicContact CG1-CD2 4.02Å; I193-F360 HydrophobicContact CG1-CE2 3.66Å
194	M	66.1	Low	65	Low	108 Å²	108	50.8 Å²	50.8	53%	0.532	26%	0.26	S	S	.	.	H	α-helix	trans	-63.3	-40.4	-179.7	-75.1	-60.4	-60.2	0	0	112.5	E190 N191 V192 N198	E190-M194 WeakPolarHBondContact O-CB 3.5Å; E190-M194 WeakPolarHBondContact O-CG 3.39Å; E190-M194 PolarHBondContact O-N 2.88Å; N191-M194 PolarHBondContact O-N 3.44Å; V192-M194 PolarHBondContact O-N 2.68Å; M194-N198 PolarHBondContact O-N 3.47Å; M194-N198 PolarHBondContact O-ND2 3.49Å
195	N	68.1	Low	65	Low	60 Å²	60	52.9 Å²	52.9	32%	0.321	27%	0.27	S	S	.	.	H	α-helix	trans	-71.6	-37.1	178.3	-79.2	-25.5	0	0	0	112.5	N191 V192 I193 N198 Q199 L676	N191-N195 WeakPolarHBondContact O-CB 3.49Å; N191-N195 PolarHBondContact O-N 2.97Å; N191-N195 PolarHBondContact O-ND2 2.92Å; V192-N195 PolarHBondContact O-N 3.14Å; I193-N195 VanDerWaalsContact C-N 3.35Å; I193-N195 PolarHBondContact O-N 3.23Å; N195-N198 PolarHBondContact O-N 2.95Å; N195-Q199 WeakPolarHBondContact O-CG 3.33Å; N195-Q199 PolarHBondContact O-N 3.4Å; N195-L676 HydrophobicContact CB-CD1 4.26Å; N195-L676 HydrophobicContact CB-CD2 3.42Å; N195-L676 VanDerWaalsContact CB-CD2 3.42Å; N195-L676 HydrophobicContact CB-CG 4.46Å
196	E	64.7	Low	65.2	Low	18 Å²	18	56.9 Å²	56.9	8%	0.084	29%	0.289	C	S	.	.	H	α-helix	trans	-62.7	-43.1	173.6	-173.9	-178.6	-164.6	0	0	111.5	V192 I193 N198 Q199 L200 L356	V192-E196 WeakPolarHBondContact O-CB 3.4Å; V192-E196 PolarHBondContact O-N 2.9Å; I193-E196 PolarHBondContact O-N 3.5Å; E196-N198 VanDerWaalsContact C-N 3.27Å; E196-N198 PolarHBondContact O-N 3.35Å; E196-Q199 PolarHBondContact O-N 3.3Å; E196-L200 WeakPolarHBondContact O-CB 3.33Å; E196-L200 PolarHBondContact O-N 3.36Å; E196-L356 VanDerWaalsContact CD-CD1 3.44Å; E196-L356 VanDerWaalsContact OE1-CD1 3.29Å; E196-L356 WeakPolarHBondContact OE1-CD1 3.23Å; E196-L356 WeakPolarHBondContact OE1-CG 3.46Å; E196-L356 WeakPolarHBondContact OE2-CD1 3.37Å; E196-L356 WeakPolarHBondContact OE2-CG 3.3Å
197	I	63.2	Low	65.2	Low	65 Å²	65	52.2 Å²	52.2	33%	0.333	27%	0.267	S	S	.	.	H	α-helix	trans	-58.5	-41.4	175.5	-70.3	166.2	0	0	0	111.2	I193 S201	I193-I197 HydrophobicContact CG2-CD1 3.83Å; I193-I197 VanDerWaalsContact O-CG1 3.26Å; I193-I197 WeakPolarHBondContact O-CG1 3.49Å; I193-I197 PolarHBondContact O-N 3.49Å; I197-S201 PolarHBondContact O-N 3.5Å; I197-S201 VanDerWaalsContact O-N 3.1Å
198	N	66.6	Low	64.9	Low	85 Å²	85	49.9 Å²	49.9	46%	0.455	25%	0.254	S	S	.	.	H	α-helix	trans	-66.1	-45.1	177.4	-71.9	-21.7	0	0	0	111.6	M194 N195 E196 L200 S201 I202	M194-N198 PolarHBondContact O-N 3.47Å; M194-N198 PolarHBondContact O-ND2 3.49Å; N195-N198 PolarHBondContact O-N 2.95Å; E196-N198 VanDerWaalsContact C-N 3.27Å; E196-N198 PolarHBondContact O-N 3.35Å; N198-L200 VanDerWaalsContact C-N 3.31Å; N198-L200 PolarHBondContact O-N 2.95Å; N198-S201 WeakPolarHBondContact O-CB 3.5Å; N198-S201 PolarHBondContact O-N 3.5Å; N198-S201 VanDerWaalsContact O-N 3.16Å; N198-I202 WeakPolarHBondContact O-CG1 3.31Å; N198-I202 PolarHBondContact O-N 3.03Å; N198-I202 VanDerWaalsContact O-N 3.13Å
199	Q	66.2	Low	64.9	Low	58 Å²	58	53.5 Å²	53.5	27%	0.271	27%	0.27	S	S	.	.	H	α-helix	trans	-64.5	-37.2	177.9	-68.6	-59.3	-9.7	0	0	112.3	N195 E196 S201 I202 T203 L669	N195-Q199 WeakPolarHBondContact O-CG 3.33Å; N195-Q199 PolarHBondContact O-N 3.4Å; E196-Q199 PolarHBondContact O-N 3.3Å; Q199-S201 VanDerWaalsContact C-N 3.29Å; Q199-S201 PolarHBondContact O-N 3.17Å; Q199-I202 PolarHBondContact O-N 3.27Å; Q199-T203 VanDerWaalsContact O-CB 3.3Å; Q199-T203 WeakPolarHBondContact O-CB 3.26Å; Q199-T203 PolarHBondContact O-N 3.05Å; Q199-T203 PolarHBondContact O-OG1 3.46Å; Q199-L669 HydrophobicContact CB-CD1 3.8Å
200	L	65.3	Low	64.8	Low	5 Å²	5	54.7 Å²	54.7	3%	0.026	28%	0.28	C	S	.	.	H	α-helix	trans	-65.5	-33.5	175.3	-163.3	76.1	0	0	0	112	E196 N198 A204 M350 K351 F354 L669	E196-L200 WeakPolarHBondContact O-CB 3.33Å; E196-L200 PolarHBondContact O-N 3.36Å; N198-L200 VanDerWaalsContact C-N 3.31Å; N198-L200 PolarHBondContact O-N 2.95Å; L200-A204 WeakPolarHBondContact O-CB 3.49Å; L200-A204 PolarHBondContact O-N 2.96Å; L200-M350 HydrophobicContact CD1-CB 4.33Å; L200-M350 HydrophobicContact CD2-CB 4.26Å; L200-K351 HydrophobicContact CD2-CB 4.19Å; L200-K351 HydrophobicContact CD2-CG 3.39Å; L200-F354 HydrophobicContact CD1-CD2 3.89Å; L200-F354 HydrophobicContact CD1-CE2 4.2Å; L200-F354 HydrophobicContact CD1-CG 4.44Å; L200-L669 HydrophobicContact CD1-CD2 3.63Å
201	S	63.2	Low	64.8	Low	46 Å²	46	49.7 Å²	49.7	32%	0.322	26%	0.257	S	S	.	.	H	α-helix	trans	-65.2	-45	173.9	-165.9	0	0	0	0	111.9	I197 N198 Q199 A204 E205	I197-S201 PolarHBondContact O-N 3.5Å; I197-S201 VanDerWaalsContact O-N 3.1Å; N198-S201 WeakPolarHBondContact O-CB 3.5Å; N198-S201 PolarHBondContact O-N 3.5Å; N198-S201 VanDerWaalsContact O-N 3.16Å; Q199-S201 VanDerWaalsContact C-N 3.29Å; Q199-S201 PolarHBondContact O-N 3.17Å; S201-A204 PolarHBondContact O-N 3.45Å; S201-E205 PolarHBondContact O-N 3.3Å
202	I	66.2	Low	64.6	Low	77 Å²	77	46.9 Å²	46.9	40%	0.395	24%	0.242	S	C	.	.	H	α-helix	trans	-63.5	-47.4	177.5	-64.4	167.5	0	0	0	110.1	N198 Q199 A204 E205 E206	N198-I202 WeakPolarHBondContact O-CG1 3.31Å; N198-I202 PolarHBondContact O-N 3.03Å; N198-I202 VanDerWaalsContact O-N 3.13Å; Q199-I202 PolarHBondContact O-N 3.27Å; I202-A204 PolarHBondContact O-N 2.91Å; I202-E205 PolarHBondContact O-N 2.72Å; I202-E205 VanDerWaalsContact O-N 3.11Å; I202-E206 PolarHBondContact O-N 2.91Å
203	T	63.8	Low	64.6	Low	4 Å²	4	52.1 Å²	52.1	3%	0.025	27%	0.267	C	S	.	.	H	α-helix	trans	-53.6	-43.1	175.7	-61.4	0	0	0	0	111	Q199 E206 I207 T665 L669	Q199-T203 VanDerWaalsContact O-CB 3.3Å; Q199-T203 WeakPolarHBondContact O-CB 3.26Å; Q199-T203 PolarHBondContact O-N 3.05Å; Q199-T203 PolarHBondContact O-OG1 3.46Å; T203-E206 PolarHBondContact O-N 3.27Å; T203-I207 HydrophobicContact CG2-CD1 4.21Å; T203-I207 WeakPolarHBondContact O-CG1 3.27Å; T203-I207 PolarHBondContact O-N 3.38Å; T203-T665 HydrophobicContact CG2-CG2 3.27Å; T203-T665 WeakPolarHBondContact O-CG2 3.22Å; T203-L669 HydrophobicContact CG2-CB 4.49Å
204	A	62	Low	64.6	Low	7 Å²	7	51.3 Å²	51.3	6%	0.058	27%	0.267	C	S	.	.	H	α-helix	trans	-67.6	-38.5	179.4	0	0	0	0	0	113.3	L200 S201 I202 E206 I207 I208 I347	L200-A204 WeakPolarHBondContact O-CB 3.49Å; L200-A204 PolarHBondContact O-N 2.96Å; S201-A204 PolarHBondContact O-N 3.45Å; I202-A204 PolarHBondContact O-N 2.91Å; A204-E206 VanDerWaalsContact C-N 3.35Å; A204-I207 PolarHBondContact O-N 3.33Å; A204-I208 WeakPolarHBondContact O-CD1 3.3Å; A204-I208 VanDerWaalsContact O-CG1 3.27Å; A204-I208 WeakPolarHBondContact O-CG1 3.11Å; A204-I208 PolarHBondContact O-N 3.37Å; A204-I208 VanDerWaalsContact O-N 3.12Å; A204-I347 HydrophobicContact CB-CD1 3.58Å; A204-I347 HydrophobicContact CB-CG1 3.26Å
205	E	63.5	Low	64.5	Low	109 Å²	109	46.8 Å²	46.8	51%	0.509	24%	0.244	S	C	.	.	H	α-helix	trans	-61.9	-42.9	173.6	-72.3	-178.2	173.1	0	0	111.7	S201 I202 I207 I208 Q209	S201-E205 PolarHBondContact O-N 3.3Å; I202-E205 PolarHBondContact O-N 2.72Å; I202-E205 VanDerWaalsContact O-N 3.11Å; E205-I207 PolarHBondContact O-N 3.31Å; E205-I208 PolarHBondContact O-N 3.16Å; E205-Q209 PolarHBondContact O-N 2.92Å
206	E	65.2	Low	64.5	Low	90 Å²	90	47.8 Å²	47.8	42%	0.421	25%	0.246	S	C	.	.	H	α-helix	trans	-62.3	-40.8	175.4	-70.1	-178.9	172.2	0	0	112.4	I202 T203 A204 I208 Q209 S210 T665	I202-E206 PolarHBondContact O-N 2.91Å; T203-E206 PolarHBondContact O-N 3.27Å; A204-E206 VanDerWaalsContact C-N 3.35Å; E206-I208 VanDerWaalsContact C-N 3.3Å; E206-I208 PolarHBondContact O-N 3.24Å; E206-Q209 PolarHBondContact O-N 3.36Å; E206-S210 VanDerWaalsContact O-CB 3.24Å; E206-S210 WeakPolarHBondContact O-CB 3.45Å; E206-S210 PolarHBondContact O-N 2.85Å; E206-S210 PolarHBondContact O-OG 3.27Å; E206-T665 HydrophobicContact CB-CG2 4.12Å
207	I	63.3	Low	64.5	Low	7 Å²	7	47 Å²	47	4%	0.036	24%	0.243	C	C	.	.	H	α-helix	trans	-60.6	-42.3	175.9	-71.6	167.9	0	0	0	110.3	T203 A204 E205 S210 L211 M350 I661 F662 T665	T203-I207 HydrophobicContact CG2-CD1 4.21Å; T203-I207 WeakPolarHBondContact O-CG1 3.27Å; T203-I207 PolarHBondContact O-N 3.38Å; A204-I207 PolarHBondContact O-N 3.33Å; E205-I207 PolarHBondContact O-N 3.31Å; I207-S210 PolarHBondContact O-N 3.47Å; I207-L211 HydrophobicContact CG2-CD1 3.69Å; I207-L211 HydrophobicContact CG2-CG 4.16Å; I207-L211 VanDerWaalsContact O-CB 3.28Å; I207-L211 WeakPolarHBondContact O-CB 3.25Å; I207-L211 WeakPolarHBondContact O-CG 3.28Å; I207-L211 PolarHBondContact O-N 2.82Å; I207-M350 HydrophobicContact CD1-CE 3.66Å; I207-M350 HydrophobicContact CD1-SD 4.35Å; I207-I661 HydrophobicContact CG1-CG2 4.39Å; I207-I661 HydrophobicContact CG2-CG2 4.38Å; I207-F662 HydrophobicContact CD1-CD1 4.49Å; I207-F662 HydrophobicContact CG2-CD2 4.47Å; I207-F662 HydrophobicContact CG2-CE2 3.97Å; I207-F662 HydrophobicContact CG2-CZ 4.21Å; I207-T665 HydrophobicContact CD1-CG2 4.39Å; I207-T665 HydrophobicContact CG1-CG2 3.96Å; I207-T665 WeakPolarHBondContact CG1-OG1 3.5Å
208	I	61.5	Low	64.6	Low	25 Å²	25	45.4 Å²	45.4	13%	0.128	24%	0.237	C	C	.	.	H	α-helix	trans	-71.1	-43.4	-177.7	-64.5	149.7	0	0	0	111.5	A204 E205 E206 S210 L211 L212 K343	A204-I208 WeakPolarHBondContact O-CD1 3.3Å; A204-I208 VanDerWaalsContact O-CG1 3.27Å; A204-I208 WeakPolarHBondContact O-CG1 3.11Å; A204-I208 PolarHBondContact O-N 3.37Å; A204-I208 VanDerWaalsContact O-N 3.12Å; E205-I208 PolarHBondContact O-N 3.16Å; E206-I208 VanDerWaalsContact C-N 3.3Å; E206-I208 PolarHBondContact O-N 3.24Å; I208-S210 VanDerWaalsContact C-N 3.27Å; I208-S210 PolarHBondContact O-N 3.37Å; I208-L211 PolarHBondContact O-N 2.86Å; I208-L212 HydrophobicContact CG2-CD1 3.92Å; I208-L212 HydrophobicContact CG2-CG 4.29Å; I208-L212 WeakPolarHBondContact O-CB 3.34Å; I208-L212 WeakPolarHBondContact O-CG 3.37Å; I208-L212 PolarHBondContact O-N 3.45Å; I208-K343 HydrophobicContact CD1-CB 3.3Å; I208-K343 HydrophobicContact CD1-CD 3.05Å; I208-K343 HydrophobicContact CD1-CG 3.25Å; I208-K343 HydrophobicContact CG1-CB 3.97Å; I208-K343 HydrophobicContact CG1-CD 4.42Å; I208-K343 HydrophobicContact CG1-CG 4.38Å
209	Q	63.4	Low	64.6	Low	91 Å²	91	45 Å²	45	43%	0.425	24%	0.239	S	C	.	.	H	α-helix	trans	-60.2	-44.8	176.7	-174.4	59.4	26.4	0	0	110.1	E205 E206 L211 L212 E213	E205-Q209 PolarHBondContact O-N 2.92Å; E206-Q209 PolarHBondContact O-N 3.36Å; Q209-L211 VanDerWaalsContact C-N 3.35Å; Q209-L211 PolarHBondContact O-N 3.39Å; Q209-L212 PolarHBondContact O-N 3.06Å; Q209-E213 PolarHBondContact NE2-OE1 3.08Å; Q209-E213 WeakPolarHBondContact O-CB 3.18Å; Q209-E213 WeakPolarHBondContact O-CG 3.39Å; Q209-E213 PolarHBondContact O-N 3.4Å
210	S	64.4	Low	64.7	Low	40 Å²	40	42.3 Å²	42.3	28%	0.28	23%	0.227	S	C	.	.	H	α-helix	trans	-64.6	-38.2	176.1	-57.7	0	0	0	0	112.2	E206 I207 I208 A214 I661	E206-S210 VanDerWaalsContact O-CB 3.24Å; E206-S210 WeakPolarHBondContact O-CB 3.45Å; E206-S210 PolarHBondContact O-N 2.85Å; E206-S210 PolarHBondContact O-OG 3.27Å; I207-S210 PolarHBondContact O-N 3.47Å; I208-S210 VanDerWaalsContact C-N 3.27Å; I208-S210 PolarHBondContact O-N 3.37Å; S210-A214 WeakPolarHBondContact O-CB 3.28Å; S210-A214 PolarHBondContact O-N 3.35Å; S210-I661 VanDerWaalsContact CB-CG2 3.46Å
211	L	64.7	Low	64.8	Low	18 Å²	18	43.5 Å²	43.5	9%	0.094	23%	0.233	C	C	.	.	H	α-helix	trans	-65.8	-47.4	175	-77.7	172.9	0	0	0	111	I207 I208 Q209 E213 A214 Y215 I524 I658 I661	I207-L211 HydrophobicContact CG2-CD1 3.69Å; I207-L211 HydrophobicContact CG2-CG 4.16Å; I207-L211 VanDerWaalsContact O-CB 3.28Å; I207-L211 WeakPolarHBondContact O-CB 3.25Å; I207-L211 WeakPolarHBondContact O-CG 3.28Å; I207-L211 PolarHBondContact O-N 2.82Å; I208-L211 PolarHBondContact O-N 2.86Å; Q209-L211 VanDerWaalsContact C-N 3.35Å; Q209-L211 PolarHBondContact O-N 3.39Å; L211-E213 VanDerWaalsContact C-N 3.28Å; L211-E213 PolarHBondContact O-N 3.24Å; L211-A214 PolarHBondContact O-N 2.82Å; L211-Y215 HydrophobicContact CB-CD2 4.19Å; L211-Y215 HydrophobicContact CB-CE2 3.97Å; L211-Y215 HydrophobicContact CD2-CE2 4Å; L211-Y215 WeakPolarHBondContact O-CB 3.26Å; L211-Y215 WeakPolarHBondContact O-CD2 3.36Å; L211-Y215 PolarHBondContact O-N 3.45Å; L211-I524 HydrophobicContact CD1-CD1 4.24Å; L211-I658 HydrophobicContact CD2-CB 4.29Å; L211-I658 HydrophobicContact CD2-CG1 3.68Å; L211-I658 HydrophobicContact CD2-CG2 4.1Å; L211-I661 HydrophobicContact CD2-CD1 4.07Å; L211-I661 HydrophobicContact CG-CD1 4.44Å
212	L	64.3	Low	65	Low	26 Å²	26	48 Å²	48	14%	0.136	25%	0.247	C	C	.	.	H	α-helix	trans	-59.2	-39.3	177.8	-78.5	169.8	0	0	0	112.3	I208 Q209 Q216 L217 L339	I208-L212 HydrophobicContact CG2-CD1 3.92Å; I208-L212 HydrophobicContact CG2-CG 4.29Å; I208-L212 WeakPolarHBondContact O-CB 3.34Å; I208-L212 WeakPolarHBondContact O-CG 3.37Å; I208-L212 PolarHBondContact O-N 3.45Å; Q209-L212 PolarHBondContact O-N 3.06Å; L212-Q216 PolarHBondContact O-N 2.81Å; L212-L217 HydrophobicContact CD2-CB 4.35Å; L212-L217 HydrophobicContact CD2-CD1 4.46Å; L212-L217 PolarHBondContact O-N 3.05Å; L212-L217 VanDerWaalsContact O-N 3.09Å; L212-L339 HydrophobicContact CD2-CD1 3.46Å; L212-L339 VanDerWaalsContact CD2-CD1 3.46Å; L212-L339 HydrophobicContact CG-CD1 4.43Å
213	E	66.1	Low	65.2	Low	111 Å²	111	45 Å²	45	52%	0.519	23%	0.232	S	C	.	.	H	α-helix	trans	-69.1	-45.4	174.4	-74.1	174.6	-167.1	0	0	111.5	Q209 L211 Y215 Q216	Q209-E213 PolarHBondContact NE2-OE1 3.08Å; Q209-E213 WeakPolarHBondContact O-CB 3.18Å; Q209-E213 WeakPolarHBondContact O-CG 3.39Å; Q209-E213 PolarHBondContact O-N 3.4Å; L211-E213 VanDerWaalsContact C-N 3.28Å; L211-E213 PolarHBondContact O-N 3.24Å; E213-Y215 VanDerWaalsContact C-N 3.29Å; E213-Y215 PolarHBondContact O-N 2.92Å; E213-Q216 WeakPolarHBondContact O-CA 3.35Å; E213-Q216 PolarHBondContact O-N 3.03Å
214	A	64.4	Low	65.3	Low	28 Å²	28	45 Å²	45	23%	0.231	23%	0.233	C	C	.	.	H	α-helix	trans	-61.6	-36.3	176.3	0	0	0	0	0	113	S210 L211 Q216 T657 I661	S210-A214 WeakPolarHBondContact O-CB 3.28Å; S210-A214 PolarHBondContact O-N 3.35Å; L211-A214 PolarHBondContact O-N 2.82Å; A214-Q216 PolarHBondContact O-N 3.35Å; A214-T657 HydrophobicContact CB-CG2 3.66Å; A214-I661 HydrophobicContact CB-CD1 3.86Å
215	Y	64.7	Low	65.5	Low	13 Å²	13	50.7 Å²	50.7	5%	0.051	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-5.9	173.4	-72.3	-56.9	0	0	0	113.7	L211 E213 L217 I524 F644 L654	L211-Y215 HydrophobicContact CB-CD2 4.19Å; L211-Y215 HydrophobicContact CB-CE2 3.97Å; L211-Y215 HydrophobicContact CD2-CE2 4Å; L211-Y215 WeakPolarHBondContact O-CB 3.26Å; L211-Y215 WeakPolarHBondContact O-CD2 3.36Å; L211-Y215 PolarHBondContact O-N 3.45Å; E213-Y215 VanDerWaalsContact C-N 3.29Å; E213-Y215 PolarHBondContact O-N 2.92Å; Y215-L217 HydrophobicContact CG-CD1 4.41Å; Y215-L217 PolarHBondContact O-N 3.28Å; Y215-L217 VanDerWaalsContact O-N 3.14Å; Y215-I524 VanDerWaalsContact OH-CG2 3.31Å; Y215-I524 WeakPolarHBondContact OH-CG2 3.09Å; Y215-F644 HydrophobicContact CD1-CD2 4.07Å; Y215-F644 AromaticContact CD1-CE2 3.72Å; Y215-F644 HydrophobicContact CD1-CE2 3.72Å; Y215-F644 HydrophobicContact CE1-CE2 4.41Å; Y215-F644 HydrophobicContact CG-CD2 4.35Å; Y215-F644 AromaticContact CG-CE2 4Å; Y215-F644 HydrophobicContact CG-CE2 4Å; Y215-L654 HydrophobicContact CD1-CD1 4.44Å; Y215-L654 HydrophobicContact CE1-CD1 3.26Å; Y215-L654 VanDerWaalsContact OH-CD1 3.23Å; Y215-L654 WeakPolarHBondContact OH-CD1 3.3Å
216	Q	66.9	Low	65.8	Low	80 Å²	80	47.8 Å²	47.8	37%	0.374	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	23.4	-173.2	-54.2	-177.7	1.9	0	0	113.4	L212 E213 A214 P219 V220 N643	L212-Q216 PolarHBondContact O-N 2.81Å; E213-Q216 WeakPolarHBondContact O-CA 3.35Å; E213-Q216 PolarHBondContact O-N 3.03Å; A214-Q216 PolarHBondContact O-N 3.35Å; Q216-P219 WeakPolarHBondContact O-CD 3.22Å; Q216-P219 VanDerWaalsContact O-CG 3.28Å; Q216-P219 WeakPolarHBondContact O-CG 3.26Å; Q216-V220 WeakPolarHBondContact O-CG2 3.4Å; Q216-N643 PolarHBondContact OE1-ND2 3.44Å
217	L	65.8	Low	66	Low	3 Å²	3	43.7 Å²	43.7	2%	0.016	23%	0.231	C	C	.	.	H	α-helix	trans	-79.1	-31.2	-178.5	-74.9	169.8	0	0	0	112	L212 Y215 V220 I221 I335 L339 F644	L212-L217 HydrophobicContact CD2-CB 4.35Å; L212-L217 HydrophobicContact CD2-CD1 4.46Å; L212-L217 PolarHBondContact O-N 3.05Å; L212-L217 VanDerWaalsContact O-N 3.09Å; Y215-L217 HydrophobicContact CG-CD1 4.41Å; Y215-L217 PolarHBondContact O-N 3.28Å; Y215-L217 VanDerWaalsContact O-N 3.14Å; L217-V220 WeakPolarHBondContact O-CB 3.43Å; L217-V220 PolarHBondContact O-N 2.81Å; L217-I221 WeakPolarHBondContact O-CG1 3.22Å; L217-I221 PolarHBondContact O-N 2.88Å; L217-I335 HydrophobicContact CD1-CG2 4.17Å; L217-L339 HydrophobicContact CD1-CD1 4.33Å; L217-F644 HydrophobicContact CD1-CD2 4.06Å; L217-F644 HydrophobicContact CD1-CE2 3.71Å; L217-F644 HydrophobicContact CD1-CZ 4.31Å; L217-F644 HydrophobicContact CD2-CD2 3.94Å; L217-F644 HydrophobicContact CD2-CE2 4.27Å; L217-F644 HydrophobicContact CD2-CG 4.08Å; L217-F644 HydrophobicContact CG-CD2 3.92Å; L217-F644 HydrophobicContact CG-CE2 4.11Å
218	S	65.1	Low	66.2	Low	31 Å²	31	44.2 Å²	44.2	22%	0.217	24%	0.236	C	C	.	.	H	α-helix	trans	-52.7	-51.5	177.7	-179.9	0	0	0	0	114.1	V220 I221 K222	S218-V220 VanDerWaalsContact C-N 3.3Å; S218-V220 PolarHBondContact O-N 3.3Å; S218-I221 PolarHBondContact O-N 2.92Å; S218-K222 PolarHBondContact O-N 2.83Å
219	P	67.3	Low	66.6	Low	75 Å²	75	48.7 Å²	48.7	49%	0.487	26%	0.256	S	S	.	.	H	α-helix	trans	-64.4	-34.2	175.6	24.2	-33.5	0	0	0	112.5	Q216 K222 S223	Q216-P219 WeakPolarHBondContact O-CD 3.22Å; Q216-P219 VanDerWaalsContact O-CG 3.28Å; Q216-P219 WeakPolarHBondContact O-CG 3.26Å; P219-K222 PolarHBondContact O-N 3.28Å; P219-S223 WeakPolarHBondContact O-CB 3.34Å; P219-S223 PolarHBondContact O-N 3.35Å; P219-S223 PolarHBondContact O-OG 3.38Å; P219-S223 VanDerWaalsContact O-OG 3.06Å
220	V	67.1	Low	66.9	Low	2 Å²	2	45.1 Å²	45.1	1%	0.012	24%	0.241	C	C	.	.	H	α-helix	trans	-65.3	-43.8	178.5	-179	0	0	0	0	111.2	Q216 L217 S218 S223 A224 F332 I637 L641	Q216-V220 WeakPolarHBondContact O-CG2 3.4Å; L217-V220 WeakPolarHBondContact O-CB 3.43Å; L217-V220 PolarHBondContact O-N 2.81Å; S218-V220 VanDerWaalsContact C-N 3.3Å; S218-V220 PolarHBondContact O-N 3.3Å; V220-S223 PolarHBondContact O-N 3.48Å; V220-A224 WeakPolarHBondContact O-CB 3.32Å; V220-A224 PolarHBondContact O-N 2.78Å; V220-F332 HydrophobicContact CB-CE1 4.47Å; V220-F332 HydrophobicContact CG1-CE1 3.51Å; V220-F332 HydrophobicContact CG1-CE2 4.24Å; V220-F332 HydrophobicContact CG1-CZ 3.29Å; V220-I637 HydrophobicContact CG1-CG2 4.21Å; V220-L641 HydrophobicContact CG1-CD2 4.39Å; V220-L641 HydrophobicContact CG1-CG 4.29Å
221	I	67.1	Low	67.1	Low	31 Å²	31	43.3 Å²	43.3	16%	0.159	23%	0.228	C	C	.	.	H	α-helix	trans	-61.3	-49.1	177.5	-67	165.3	0	0	0	110.2	L217 S218 S223 A224 E225 F332	L217-I221 WeakPolarHBondContact O-CG1 3.22Å; L217-I221 PolarHBondContact O-N 2.88Å; S218-I221 PolarHBondContact O-N 2.92Å; I221-S223 VanDerWaalsContact C-N 3.32Å; I221-S223 PolarHBondContact O-N 3.24Å; I221-A224 WeakPolarHBondContact O-CB 3.46Å; I221-A224 PolarHBondContact O-N 3.04Å; I221-A224 VanDerWaalsContact O-N 3.1Å; I221-E225 PolarHBondContact O-N 3.38Å; I221-F332 HydrophobicContact CG1-CD1 4.1Å; I221-F332 HydrophobicContact CG1-CG 4.46Å
222	K	68.2	Low	67.4	Low	141 Å²	141	46.5 Å²	46.5	61%	0.613	25%	0.245	S	C	*	.	H	α-helix	trans	-60.2	-41.7	177.7	-71.3	-178.9	179.6	179.8	0	112.3	S218 P219 S226	S218-K222 PolarHBondContact O-N 2.83Å; P219-K222 PolarHBondContact O-N 3.28Å; K222-S226 WeakPolarHBondContact O-CB 3.49Å; K222-S226 PolarHBondContact O-N 3.22Å; K222-S226 VanDerWaalsContact O-N 3.14Å
223	S	69.4	Low	67.8	Low	13 Å²	13	48.6 Å²	48.6	9%	0.091	25%	0.254	C	S	.	.	H	α-helix	trans	-66.4	-38.1	175.5	-64.7	0	0	0	0	111.4	P219 V220 I221 S226 I227 Q636	P219-S223 WeakPolarHBondContact O-CB 3.34Å; P219-S223 PolarHBondContact O-N 3.35Å; P219-S223 PolarHBondContact O-OG 3.38Å; P219-S223 VanDerWaalsContact O-OG 3.06Å; V220-S223 PolarHBondContact O-N 3.48Å; I221-S223 VanDerWaalsContact C-N 3.32Å; I221-S223 PolarHBondContact O-N 3.24Å; S223-S226 PolarHBondContact O-N 3.46Å; S223-I227 WeakPolarHBondContact O-CB 3.3Å; S223-I227 VanDerWaalsContact O-CG1 3.23Å; S223-I227 WeakPolarHBondContact O-CG1 3.38Å; S223-I227 PolarHBondContact O-N 2.81Å; S223-Q636 PolarHBondContact OG-OE1 3.34Å
224	A	66.1	Low	68.1	Low	5 Å²	5	43.4 Å²	43.4	4%	0.041	23%	0.23	C	C	.	.	H	α-helix	trans	-64.3	-45.4	177.8	0	0	0	0	0	112.5	V220 I221 S226 I227 S228 F332 I637	V220-A224 WeakPolarHBondContact O-CB 3.32Å; V220-A224 PolarHBondContact O-N 2.78Å; I221-A224 WeakPolarHBondContact O-CB 3.46Å; I221-A224 PolarHBondContact O-N 3.04Å; I221-A224 VanDerWaalsContact O-N 3.1Å; A224-S226 PolarHBondContact O-N 2.84Å; A224-I227 PolarHBondContact O-N 2.86Å; A224-S228 PolarHBondContact O-N 2.74Å; A224-F332 HydrophobicContact CB-CD2 3.62Å; A224-F332 HydrophobicContact CB-CE2 3.56Å; A224-I637 HydrophobicContact CB-CD1 3.97Å
225	E	66.6	Low	68.4	Low	125 Å²	125	43 Å²	43	58%	0.584	23%	0.225	S	C	*	.	H	α-helix	trans	-60	-45.9	174.7	-71.5	177.4	177.2	0	0	111.6	I221 I227 S228 H229	I221-E225 PolarHBondContact O-N 3.38Å; E225-I227 PolarHBondContact O-N 2.98Å; E225-S228 PolarHBondContact O-N 3.18Å; E225-H229 PolarHBondContact O-N 3.45Å
226	S	70.1	Confident	68.9	Low	48 Å²	48	45.9 Å²	45.9	34%	0.336	24%	0.244	S	C	.	.	H	α-helix	trans	-63.5	-40.1	178.8	-173.8	0	0	0	0	112.4	K222 S223 A224 S230 Q633	K222-S226 WeakPolarHBondContact O-CB 3.49Å; K222-S226 PolarHBondContact O-N 3.22Å; K222-S226 VanDerWaalsContact O-N 3.14Å; S223-S226 PolarHBondContact O-N 3.46Å; A224-S226 PolarHBondContact O-N 2.84Å; S226-S230 VanDerWaalsContact O-CB 3.29Å; S226-S230 WeakPolarHBondContact O-CB 3.49Å; S226-S230 PolarHBondContact O-N 2.78Å; S226-S230 PolarHBondContact O-OG 2.92Å; S226-Q633 PolarHBondContact OG-NE2 2.88Å; S226-Q633 VanDerWaalsContact OG-NE2 3.14Å
227	I	69.8	Low	69.3	Low	4 Å²	4	42.2 Å²	42.2	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-67	-42.9	177.2	-73.5	177.5	0	0	0	111	S223 A224 E225 H229 S230 I231 L630 Q633 F634 I637	S223-I227 WeakPolarHBondContact O-CB 3.3Å; S223-I227 VanDerWaalsContact O-CG1 3.23Å; S223-I227 WeakPolarHBondContact O-CG1 3.38Å; S223-I227 PolarHBondContact O-N 2.81Å; A224-I227 PolarHBondContact O-N 2.86Å; E225-I227 PolarHBondContact O-N 2.98Å; I227-H229 VanDerWaalsContact C-N 3.34Å; I227-H229 PolarHBondContact O-N 3.23Å; I227-S230 PolarHBondContact O-N 3.05Å; I227-I231 HydrophobicContact CG2-CD1 3.32Å; I227-I231 HydrophobicContact CG2-CG1 3.98Å; I227-I231 WeakPolarHBondContact O-CB 3.3Å; I227-I231 VanDerWaalsContact O-CG1 3.31Å; I227-I231 WeakPolarHBondContact O-CG1 3.4Å; I227-I231 PolarHBondContact O-N 3.43Å; I227-L630 HydrophobicContact CG1-CD2 4.32Å; I227-L630 HydrophobicContact CG2-CD2 4.49Å; I227-Q633 HydrophobicContact CD1-CB 3.53Å; I227-Q633 HydrophobicContact CG1-CB 3.47Å; I227-Q633 VanDerWaalsContact CG1-CB 3.47Å; I227-Q633 HydrophobicContact CG1-CG 4.44Å; I227-Q633 VanDerWaalsContact CG1-OE1 3.24Å; I227-F634 HydrophobicContact CD1-CB 4.49Å; I227-F634 HydrophobicContact CD1-CD1 4.09Å; I227-F634 HydrophobicContact CD1-CD2 4.29Å; I227-F634 HydrophobicContact CD1-CE1 4.43Å; I227-F634 HydrophobicContact CD1-CG 4.03Å; I227-F634 HydrophobicContact CG2-CE1 4.22Å; I227-F634 HydrophobicContact CG2-CE2 4.13Å; I227-F634 HydrophobicContact CG2-CZ 3.85Å; I227-I637 HydrophobicContact CD1-CD1 3.29Å; I227-I637 HydrophobicContact CD1-CG1 4.01Å; I227-I637 HydrophobicContact CG1-CD1 4.32Å
228	S	67.4	Low	69.6	Low	19 Å²	19	42 Å²	42	13%	0.133	23%	0.226	C	C	.	.	H	α-helix	trans	-58	-47.6	179.3	-179.2	0	0	0	0	111.3	A224 E225 N232	A224-S228 PolarHBondContact O-N 2.74Å; E225-S228 PolarHBondContact O-N 3.18Å; S228-N232 PolarHBondContact O-N 2.79Å; S228-N232 VanDerWaalsContact O-N 3.15Å; S228-N232 PolarHBondContact O-ND2 3.42Å
229	H	69.6	Low	70.1	Confident	118 Å²	118	44.7 Å²	44.7	55%	0.546	24%	0.235	S	C	.	.	H	α-helix	trans	-61.7	-49.4	175.9	-172	67.2	0	0	0	112	E225 I227 I231 N232 E233	E225-H229 PolarHBondContact O-N 3.45Å; I227-H229 VanDerWaalsContact C-N 3.34Å; I227-H229 PolarHBondContact O-N 3.23Å; H229-I231 VanDerWaalsContact C-N 3.33Å; H229-I231 PolarHBondContact O-N 2.85Å; H229-N232 PolarHBondContact O-N 2.93Å; H229-E233 IonicContact NE2-OE1 2.67Å; H229-E233 PolarHBondContact O-N 2.74Å
230	S	70.5	Confident	70.5	Confident	16 Å²	16	44 Å²	44	11%	0.112	23%	0.227	C	C	.	.	H	α-helix	trans	-63.5	-37.4	-176.9	-59.6	0	0	0	0	112.3	S226 I227 T234 L630	S226-S230 VanDerWaalsContact O-CB 3.29Å; S226-S230 WeakPolarHBondContact O-CB 3.49Å; S226-S230 PolarHBondContact O-N 2.78Å; S226-S230 PolarHBondContact O-OG 2.92Å; I227-S230 PolarHBondContact O-N 3.05Å; S230-T234 WeakPolarHBondContact O-CB 3.42Å; S230-T234 PolarHBondContact O-N 3.48Å; S230-T234 PolarHBondContact O-OG1 2.65Å; S230-L630 VanDerWaalsContact CB-CD2 3.43Å
231	I	68.9	Low	71	Confident	2 Å²	2	44 Å²	44	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-69	-44.6	176.9	-69.2	172.6	0	0	0	110.8	I227 H229 E233 T234 V235 I318 L325 L630 F634	I227-I231 HydrophobicContact CG2-CD1 3.32Å; I227-I231 HydrophobicContact CG2-CG1 3.98Å; I227-I231 WeakPolarHBondContact O-CB 3.3Å; I227-I231 VanDerWaalsContact O-CG1 3.31Å; I227-I231 WeakPolarHBondContact O-CG1 3.4Å; I227-I231 PolarHBondContact O-N 3.43Å; H229-I231 VanDerWaalsContact C-N 3.33Å; H229-I231 PolarHBondContact O-N 2.85Å; I231-E233 VanDerWaalsContact C-N 3.28Å; I231-E233 PolarHBondContact O-N 3.37Å; I231-T234 CarbonylContact O-C 3.59Å; I231-T234 WeakPolarHBondContact O-CA 3.46Å; I231-T234 WeakPolarHBondContact O-CB 3.21Å; I231-T234 PolarHBondContact O-N 3.46Å; I231-V235 HydrophobicContact CG2-CG2 4.07Å; I231-V235 WeakPolarHBondContact O-CG2 3.19Å; I231-V235 PolarHBondContact O-N 3.45Å; I231-I318 HydrophobicContact CG2-CG2 4.03Å; I231-L325 HydrophobicContact CB-CD1 3.76Å; I231-L325 HydrophobicContact CD1-CD1 3.34Å; I231-L325 HydrophobicContact CD1-CD2 3.69Å; I231-L325 HydrophobicContact CD1-CG 4.16Å; I231-L325 HydrophobicContact CG1-CD1 4.13Å; I231-L325 HydrophobicContact CG2-CD1 3.37Å; I231-L630 HydrophobicContact CG1-CD1 4.45Å; I231-L630 HydrophobicContact CG1-CD2 4.35Å; I231-F634 HydrophobicContact CD1-CE2 4.02Å; I231-F634 HydrophobicContact CD1-CZ 3.61Å
232	N	69.4	Low	71.4	Confident	86 Å²	86	48.5 Å²	48.5	46%	0.46	24%	0.243	S	C	.	.	H	α-helix	trans	-58.7	-41.5	177.2	-77.5	-26.2	0	0	0	112	S228 H229 T234 T236	S228-N232 PolarHBondContact O-N 2.79Å; S228-N232 VanDerWaalsContact O-N 3.15Å; S228-N232 PolarHBondContact O-ND2 3.42Å; H229-N232 PolarHBondContact O-N 2.93Å; N232-T234 VanDerWaalsContact C-N 3.33Å; N232-T236 WeakPolarHBondContact O-CB 3.41Å; N232-T236 PolarHBondContact O-N 3.24Å; N232-T236 PolarHBondContact O-OG1 2.85Å
233	E	72.6	Confident	71.8	Confident	70 Å²	70	46.7 Å²	46.7	33%	0.327	24%	0.243	S	C	.	.	H	α-helix	trans	-62.9	-41	172.9	-69.5	-155.3	129.5	0	0	112.1	H229 I231 T236 A237 K623	H229-E233 IonicContact NE2-OE1 2.67Å; H229-E233 PolarHBondContact O-N 2.74Å; I231-E233 VanDerWaalsContact C-N 3.28Å; I231-E233 PolarHBondContact O-N 3.37Å; E233-T236 PolarHBondContact O-N 3.48Å; E233-A237 VanDerWaalsContact O-CB 3.26Å; E233-A237 WeakPolarHBondContact O-CB 3.28Å; E233-A237 PolarHBondContact O-N 3.1Å; E233-K623 IonicContact OE1-NZ 2.7Å
234	T	72.8	Confident	72.3	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.012	26%	0.255	C	S	.	.	H	α-helix	trans	-67.4	-40.2	-179.9	-51.7	0	0	0	0	111.9	S230 I231 N232 S238 L314 L551 L624 N627	S230-T234 WeakPolarHBondContact O-CB 3.42Å; S230-T234 PolarHBondContact O-N 3.48Å; S230-T234 PolarHBondContact O-OG1 2.65Å; I231-T234 CarbonylContact O-C 3.59Å; I231-T234 WeakPolarHBondContact O-CA 3.46Å; I231-T234 WeakPolarHBondContact O-CB 3.21Å; I231-T234 PolarHBondContact O-N 3.46Å; N232-T234 VanDerWaalsContact C-N 3.33Å; T234-S238 VanDerWaalsContact O-CB 3.26Å; T234-S238 WeakPolarHBondContact O-CB 3.24Å; T234-S238 PolarHBondContact O-N 3.25Å; T234-S238 PolarHBondContact O-OG 3.09Å; T234-L314 HydrophobicContact CG2-CD2 3.32Å; T234-L551 HydrophobicContact CG2-CD2 4.04Å; T234-L624 HydrophobicContact CG2-CD2 3.53Å; T234-N627 PolarHBondContact OG1-ND2 2.78Å
235	V	71.6	Confident	72.8	Confident	19 Å²	19	51 Å²	51	12%	0.115	26%	0.259	C	S	.	.	H	α-helix	trans	-61.1	-54.4	173.4	173.4	0	0	0	0	109.7	I231 A237 S238 E239 I318	I231-V235 HydrophobicContact CG2-CG2 4.07Å; I231-V235 WeakPolarHBondContact O-CG2 3.19Å; I231-V235 PolarHBondContact O-N 3.45Å; V235-A237 VanDerWaalsContact C-N 3.28Å; V235-A237 PolarHBondContact O-N 3.29Å; V235-S238 PolarHBondContact O-N 2.68Å; V235-E239 HydrophobicContact CG1-CG 4.24Å; V235-E239 WeakPolarHBondContact O-CG 3.37Å; V235-E239 PolarHBondContact O-N 3.38Å; V235-I318 HydrophobicContact CG2-CB 3.92Å; V235-I318 HydrophobicContact CG2-CD1 3.65Å; V235-I318 HydrophobicContact CG2-CG1 4.31Å; V235-I318 HydrophobicContact CG2-CG2 3.2Å
236	T	74.2	Confident	73.3	Confident	73 Å²	73	51.7 Å²	51.7	45%	0.448	26%	0.26	S	S	.	.	H	α-helix	trans	-58.2	-44.1	-178.2	-54.2	0	0	0	0	110.9	N232 E233 I240	N232-T236 WeakPolarHBondContact O-CB 3.41Å; N232-T236 PolarHBondContact O-N 3.24Å; N232-T236 PolarHBondContact O-OG1 2.85Å; E233-T236 PolarHBondContact O-N 3.48Å; T236-I240 HydrophobicContact CG2-CD1 3.95Å; T236-I240 WeakPolarHBondContact O-CD1 3.28Å; T236-I240 VanDerWaalsContact O-CG1 3.22Å; T236-I240 WeakPolarHBondContact O-CG1 3.48Å; T236-I240 PolarHBondContact O-N 2.75Å; T236-I240 VanDerWaalsContact O-N 3.1Å
237	A	75.2	Confident	73.8	Confident	3 Å²	3	53 Å²	53	3%	0.025	27%	0.266	C	S	.	.	H	α-helix	trans	-62.9	-44.7	176.6	0	0	0	0	0	111.7	E233 V235 I240 I241 L620 L624	E233-A237 VanDerWaalsContact O-CB 3.26Å; E233-A237 WeakPolarHBondContact O-CB 3.28Å; E233-A237 PolarHBondContact O-N 3.1Å; V235-A237 VanDerWaalsContact C-N 3.28Å; V235-A237 PolarHBondContact O-N 3.29Å; A237-I240 PolarHBondContact O-N 3.28Å; A237-I241 WeakPolarHBondContact O-CB 3.23Å; A237-I241 WeakPolarHBondContact O-CD1 3.37Å; A237-I241 WeakPolarHBondContact O-CG1 3.37Å; A237-I241 PolarHBondContact O-N 3.42Å; A237-L620 HydrophobicContact CB-CD2 3.97Å; A237-L624 HydrophobicContact CB-CD2 4.18Å; A237-L624 HydrophobicContact CB-CG 4.41Å
238	S	73.9	Confident	74.4	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-64.9	-42.8	179.6	-59.8	0	0	0	0	112.2	T234 V235 I241 Y242 L314	T234-S238 VanDerWaalsContact O-CB 3.26Å; T234-S238 WeakPolarHBondContact O-CB 3.24Å; T234-S238 PolarHBondContact O-N 3.25Å; T234-S238 PolarHBondContact O-OG 3.09Å; V235-S238 PolarHBondContact O-N 2.68Å; S238-I241 PolarHBondContact O-N 3.14Å; S238-Y242 WeakPolarHBondContact O-CB 3.45Å; S238-Y242 PolarHBondContact O-N 3.44Å; S238-L314 WeakPolarHBondContact OG-CD2 3.48Å
239	E	73.6	Confident	75.2	Confident	87 Å²	87	55.2 Å²	55.2	41%	0.407	28%	0.275	S	S	.	.	H	α-helix	trans	-59.9	-47.8	175.9	-74.5	-177.3	167.4	0	0	111.7	V235 I241 Y242 V243 I315	V235-E239 HydrophobicContact CG1-CG 4.24Å; V235-E239 WeakPolarHBondContact O-CG 3.37Å; V235-E239 PolarHBondContact O-N 3.38Å; E239-I241 VanDerWaalsContact C-N 3.31Å; E239-I241 PolarHBondContact O-N 3.11Å; E239-Y242 PolarHBondContact O-N 3.03Å; E239-V243 VanDerWaalsContact O-CG2 3.32Å; E239-V243 WeakPolarHBondContact O-CG2 3.47Å; E239-V243 PolarHBondContact O-N 2.82Å; E239-I315 HydrophobicContact CG-CD1 4.18Å; E239-I315 HydrophobicContact CG-CG1 4.14Å
240	I	77	Confident	75.9	Confident	61 Å²	61	54.8 Å²	54.8	31%	0.313	27%	0.273	S	S	.	.	H	α-helix	trans	-63.4	-41.7	178.5	-64.4	165.7	0	0	0	110.4	T236 A237 K244 L620	T236-I240 HydrophobicContact CG2-CD1 3.95Å; T236-I240 WeakPolarHBondContact O-CD1 3.28Å; T236-I240 VanDerWaalsContact O-CG1 3.22Å; T236-I240 WeakPolarHBondContact O-CG1 3.48Å; T236-I240 PolarHBondContact O-N 2.75Å; T236-I240 VanDerWaalsContact O-N 3.1Å; A237-I240 PolarHBondContact O-N 3.28Å; I240-K244 HydrophobicContact CG2-CD 3.9Å; I240-K244 HydrophobicContact CG2-CG 4.44Å; I240-K244 WeakPolarHBondContact O-CB 3.24Å; I240-K244 WeakPolarHBondContact O-CG 3.2Å; I240-K244 PolarHBondContact O-N 2.76Å; I240-L620 HydrophobicContact CB-CD1 3.85Å; I240-L620 HydrophobicContact CG2-CD1 3.39Å
241	I	77.6	Confident	76.7	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-62.1	-47.7	177	-75.4	163.5	0	0	0	110.7	A237 S238 E239 V243 K244 Q245 F308 L617 L620 F621 L624	A237-I241 WeakPolarHBondContact O-CB 3.23Å; A237-I241 WeakPolarHBondContact O-CD1 3.37Å; A237-I241 WeakPolarHBondContact O-CG1 3.37Å; A237-I241 PolarHBondContact O-N 3.42Å; S238-I241 PolarHBondContact O-N 3.14Å; E239-I241 VanDerWaalsContact C-N 3.31Å; E239-I241 PolarHBondContact O-N 3.11Å; I241-V243 PolarHBondContact O-N 3.04Å; I241-K244 PolarHBondContact O-N 2.89Å; I241-Q245 WeakPolarHBondContact O-CB 3.47Å; I241-Q245 PolarHBondContact O-N 2.81Å; I241-F308 HydrophobicContact CG2-CB 3.59Å; I241-F308 HydrophobicContact CG2-CD1 4.03Å; I241-F308 HydrophobicContact CG2-CG 3.9Å; I241-L617 HydrophobicContact CB-CD1 4.4Å; I241-L617 HydrophobicContact CG1-CD1 3.82Å; I241-L620 HydrophobicContact CD1-CB 3.8Å; I241-L620 HydrophobicContact CG1-CB 3.95Å; I241-L620 HydrophobicContact CG1-CD1 4.29Å; I241-F621 HydrophobicContact CB-CZ 4.38Å; I241-F621 HydrophobicContact CD1-CD1 4.05Å; I241-F621 HydrophobicContact CD1-CE1 3.6Å; I241-F621 HydrophobicContact CD1-CZ 3.79Å; I241-F621 HydrophobicContact CG1-CE1 4.14Å; I241-F621 HydrophobicContact CG1-CZ 3.81Å; I241-F621 HydrophobicContact CG2-CE1 3.94Å; I241-F621 HydrophobicContact CG2-CZ 3.63Å; I241-L624 HydrophobicContact CD1-CD1 3.43Å; I241-L624 VanDerWaalsContact CD1-CD1 3.43Å; I241-L624 HydrophobicContact CD1-CG 4.24Å
242	Y	75.4	Confident	77.5	Confident	126 Å²	126	57.3 Å²	57.3	49%	0.494	29%	0.285	S	S	.	.	H	α-helix	trans	-60.4	-45.9	-179.8	176.5	-105.5	0	0	0	112.1	S238 E239 K244 Q245 I315	S238-Y242 WeakPolarHBondContact O-CB 3.45Å; S238-Y242 PolarHBondContact O-N 3.44Å; E239-Y242 PolarHBondContact O-N 3.03Å; Y242-K244 VanDerWaalsContact C-N 3.33Å; Y242-K244 PolarHBondContact O-N 3.42Å; Y242-Q245 PolarHBondContact O-N 3.18Å; Y242-I315 HydrophobicContact CD1-CD1 4.28Å; Y242-I315 HydrophobicContact CG-CD1 3.92Å
243	V	76.4	Confident	78.3	Confident	102 Å²	102	56.7 Å²	56.7	62%	0.618	28%	0.282	S	S	*	.	H	α-helix	trans	-65.5	-38.9	178.9	172.7	0	0	0	0	111.1	E239 I241	E239-V243 VanDerWaalsContact O-CG2 3.32Å; E239-V243 WeakPolarHBondContact O-CG2 3.47Å; E239-V243 PolarHBondContact O-N 2.82Å; I241-V243 PolarHBondContact O-N 3.04Å
244	K	79.8	Confident	79.1	Confident	81 Å²	81	56.6 Å²	56.6	35%	0.352	29%	0.289	S	S	.	.	H	α-helix	trans	-81.6	-22.2	-178	-71.2	-175.2	176.4	-175.5	0	113.8	I240 I241 Y242 K246 L248 L617	I240-K244 HydrophobicContact CG2-CD 3.9Å; I240-K244 HydrophobicContact CG2-CG 4.44Å; I240-K244 WeakPolarHBondContact O-CB 3.24Å; I240-K244 WeakPolarHBondContact O-CG 3.2Å; I240-K244 PolarHBondContact O-N 2.76Å; I241-K244 PolarHBondContact O-N 2.89Å; Y242-K244 VanDerWaalsContact C-N 3.33Å; Y242-K244 PolarHBondContact O-N 3.42Å; K244-K246 PolarHBondContact O-N 3.46Å; K244-L248 VanDerWaalsContact O-CB 3.23Å; K244-L248 WeakPolarHBondContact O-CB 3.45Å; K244-L248 PolarHBondContact O-N 3.42Å; K244-L617 HydrophobicContact CB-CD1 4.05Å; K244-L617 HydrophobicContact CD-CD1 4.15Å
245	Q	77.4	Confident	79.8	Confident	28 Å²	28	56.7 Å²	56.7	13%	0.131	29%	0.289	C	S	.	.	H	α-helix	trans	-50.4	-59.5	-178.5	159.5	160.5	38.2	0	0	111.9	I241 Y242 T247 L248 Q249 F306 F308	I241-Q245 WeakPolarHBondContact O-CB 3.47Å; I241-Q245 PolarHBondContact O-N 2.81Å; Y242-Q245 PolarHBondContact O-N 3.18Å; Q245-T247 VanDerWaalsContact C-N 3.35Å; Q245-T247 PolarHBondContact O-N 3.39Å; Q245-L248 PolarHBondContact O-N 2.77Å; Q245-Q249 WeakPolarHBondContact O-CB 3.45Å; Q245-Q249 PolarHBondContact O-N 3.32Å; Q245-F306 PolarHBondContact NE2-O 3.45Å; Q245-F308 HydrophobicContact CB-CB 4.08Å; Q245-F308 HydrophobicContact CB-CD2 3.37Å; Q245-F308 HydrophobicContact CB-CE2 4.14Å; Q245-F308 HydrophobicContact CB-CG 4.11Å; Q245-F308 HydrophobicContact CG-CB 4.2Å; Q245-F308 HydrophobicContact CG-CD2 3.47Å; Q245-F308 VanDerWaalsContact CG-CD2 3.47Å; Q245-F308 HydrophobicContact CG-CE2 4.33Å; Q245-F308 HydrophobicContact CG-CG 4.3Å
246	K	75.4	Confident	80.6	Confident	139 Å²	139	56.2 Å²	56.2	60%	0.604	29%	0.286	S	S	*	.	H	α-helix	trans	-67.2	-42.4	-168.8	-171.8	175.5	-179.2	178.9	0	110.8	K244 Q250	K244-K246 PolarHBondContact O-N 3.46Å; K246-Q250 WeakPolarHBondContact O-CB 3.29Å; K246-Q250 WeakPolarHBondContact O-CG 3.26Å; K246-Q250 PolarHBondContact O-N 2.85Å
247	T	81.8	Confident	81.2	Confident	75 Å²	75	54.8 Å²	54.8	46%	0.46	29%	0.286	S	S	.	.	H	α-helix	trans	-62.1	-48.3	176.2	-48.2	0	0	0	0	110.6	Q245 Q249 Q250 D251	Q245-T247 VanDerWaalsContact C-N 3.35Å; Q245-T247 PolarHBondContact O-N 3.39Å; T247-Q249 PolarHBondContact O-N 2.95Å; T247-Q250 PolarHBondContact O-N 3.03Å; T247-D251 WeakPolarHBondContact O-CB 3.27Å; T247-D251 PolarHBondContact O-N 2.74Å
248	L	82.8	Confident	81.9	Confident	9 Å²	9	57.7 Å²	57.7	5%	0.047	30%	0.299	C	S	.	.	H	α-helix	trans	-63.3	-44.1	-179.9	-179.1	64.6	0	0	0	112.3	K244 Q245 Q250 D251 V252 F308 I610 I614 L617	K244-L248 VanDerWaalsContact O-CB 3.23Å; K244-L248 WeakPolarHBondContact O-CB 3.45Å; K244-L248 PolarHBondContact O-N 3.42Å; Q245-L248 PolarHBondContact O-N 2.77Å; L248-Q250 VanDerWaalsContact C-N 3.31Å; L248-Q250 PolarHBondContact O-N 2.81Å; L248-D251 PolarHBondContact O-N 3.28Å; L248-V252 HydrophobicContact CD1-CG2 3.96Å; L248-V252 HydrophobicContact CG-CG2 4.31Å; L248-V252 WeakPolarHBondContact O-CB 3.48Å; L248-V252 VanDerWaalsContact O-CG2 3.29Å; L248-V252 WeakPolarHBondContact O-CG2 3.27Å; L248-V252 PolarHBondContact O-N 2.8Å; L248-F308 HydrophobicContact CD2-CE2 4.43Å; L248-F308 HydrophobicContact CD2-CZ 4.27Å; L248-I610 HydrophobicContact CD1-CG2 3.91Å; L248-I614 HydrophobicContact CD1-CD1 3.89Å; L248-I614 HydrophobicContact CD1-CG1 3.43Å; L248-I614 VanDerWaalsContact CD1-CG1 3.43Å; L248-I614 HydrophobicContact CD2-CG1 3.96Å; L248-I614 HydrophobicContact CG-CG1 4.34Å; L248-L617 HydrophobicContact CD2-CD2 3.58Å
249	Q	83.4	Confident	82.5	Confident	61 Å²	61	57.7 Å²	57.7	29%	0.285	30%	0.299	S	S	.	.	H	α-helix	trans	-62.5	-40.5	178.1	-169.4	-177.6	18.4	0	0	111.2	Q245 T247 N253 T303	Q245-Q249 WeakPolarHBondContact O-CB 3.45Å; Q245-Q249 PolarHBondContact O-N 3.32Å; T247-Q249 PolarHBondContact O-N 2.95Å; Q249-N253 WeakPolarHBondContact O-CB 3.49Å; Q249-N253 PolarHBondContact O-N 3.31Å; Q249-N253 PolarHBondContact O-ND2 3.28Å; Q249-N253 VanDerWaalsContact O-ND2 3.11Å; Q249-T303 PolarHBondContact NE2-O 3.24Å
250	Q	85.2	Confident	83.3	Confident	110 Å²	110	59.1 Å²	59.1	51%	0.514	30%	0.301	S	S	.	.	H	α-helix	trans	-65.4	-46.4	175.3	-74.8	175.6	-19.2	0	0	111.8	K246 T247 L248 N253 S254	K246-Q250 WeakPolarHBondContact O-CB 3.29Å; K246-Q250 WeakPolarHBondContact O-CG 3.26Å; K246-Q250 PolarHBondContact O-N 2.85Å; T247-Q250 PolarHBondContact O-N 3.03Å; L248-Q250 VanDerWaalsContact C-N 3.31Å; L248-Q250 PolarHBondContact O-N 2.81Å; Q250-N253 PolarHBondContact O-N 3.4Å; Q250-S254 VanDerWaalsContact O-CB 3.25Å; Q250-S254 WeakPolarHBondContact O-CB 3.48Å; Q250-S254 PolarHBondContact O-N 3.45Å
251	D	86.5	Confident	83.8	Confident	70 Å²	70	57.7 Å²	57.7	37%	0.374	30%	0.3	S	S	.	.	H	α-helix	trans	-63.5	-44.9	-179.5	-67.9	-17.6	0	0	0	111.5	T247 L248 S254 Y255 I610	T247-D251 WeakPolarHBondContact O-CB 3.27Å; T247-D251 PolarHBondContact O-N 2.74Å; L248-D251 PolarHBondContact O-N 3.28Å; D251-S254 PolarHBondContact O-N 3.24Å; D251-Y255 WeakPolarHBondContact O-CB 3.16Å; D251-Y255 PolarHBondContact O-N 3.48Å; D251-I610 HydrophobicContact CB-CD1 4.09Å; D251-I610 HydrophobicContact CB-CG1 4.06Å
252	V	86	Confident	84.4	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-66.3	-45.5	177.5	173.6	0	0	0	0	110.9	L248 S254 Y255 I256 T303 F306 F566 I610	L248-V252 HydrophobicContact CD1-CG2 3.96Å; L248-V252 HydrophobicContact CG-CG2 4.31Å; L248-V252 WeakPolarHBondContact O-CB 3.48Å; L248-V252 VanDerWaalsContact O-CG2 3.29Å; L248-V252 WeakPolarHBondContact O-CG2 3.27Å; L248-V252 PolarHBondContact O-N 2.8Å; V252-S254 VanDerWaalsContact C-N 3.32Å; V252-S254 PolarHBondContact O-N 3.27Å; V252-Y255 PolarHBondContact O-N 3.45Å; V252-I256 HydrophobicContact CG1-CD1 3.72Å; V252-I256 HydrophobicContact CG1-CG1 4.33Å; V252-I256 WeakPolarHBondContact O-CB 3.29Å; V252-I256 VanDerWaalsContact O-CG1 3.24Å; V252-I256 WeakPolarHBondContact O-CG1 3.49Å; V252-I256 PolarHBondContact O-N 3.1Å; V252-T303 HydrophobicContact CB-CG2 4.45Å; V252-T303 HydrophobicContact CG1-CG2 3.76Å; V252-F306 HydrophobicContact CB-CE2 4.29Å; V252-F306 HydrophobicContact CG1-CE2 4.06Å; V252-F306 HydrophobicContact CG2-CE2 4.14Å; V252-F566 HydrophobicContact CG1-CD2 4.06Å; V252-F566 HydrophobicContact CG1-CE2 3.76Å; V252-F566 HydrophobicContact CG1-CZ 4.21Å; V252-F566 HydrophobicContact CG2-CE1 4.19Å; V252-F566 HydrophobicContact CG2-CE2 4.43Å; V252-F566 HydrophobicContact CG2-CZ 4.07Å; V252-I610 HydrophobicContact CG2-CG2 3.84Å
253	N	87	Confident	85	Confident	73 Å²	73	53.7 Å²	53.7	39%	0.39	29%	0.285	S	S	.	.	H	α-helix	trans	-62.8	-39.5	176.7	-77.6	-29.2	0	0	0	112	Q249 Q250 I256 G257 T303	Q249-N253 WeakPolarHBondContact O-CB 3.49Å; Q249-N253 PolarHBondContact O-N 3.31Å; Q249-N253 PolarHBondContact O-ND2 3.28Å; Q249-N253 VanDerWaalsContact O-ND2 3.11Å; Q250-N253 PolarHBondContact O-N 3.4Å; N253-I256 PolarHBondContact O-N 3.38Å; N253-G257 PolarHBondContact O-N 3.38Å; N253-T303 VanDerWaalsContact OD1-CG2 3.23Å; N253-T303 WeakPolarHBondContact OD1-CG2 3.33Å; N253-T303 PolarHBondContact OD1-OG1 3.38Å
254	S	87.5	Confident	85.6	Confident	69 Å²	69	52.7 Å²	52.7	48%	0.483	28%	0.276	S	S	.	.	H	α-helix	trans	-62.1	-47.8	175.4	-170.6	0	0	0	0	110.8	Q250 D251 V252 I256 G257 E258	Q250-S254 VanDerWaalsContact O-CB 3.25Å; Q250-S254 WeakPolarHBondContact O-CB 3.48Å; Q250-S254 PolarHBondContact O-N 3.45Å; D251-S254 PolarHBondContact O-N 3.24Å; V252-S254 VanDerWaalsContact C-N 3.32Å; V252-S254 PolarHBondContact O-N 3.27Å; S254-I256 PolarHBondContact O-N 3.25Å; S254-G257 WeakPolarHBondContact O-CA 3.34Å; S254-G257 PolarHBondContact O-N 2.94Å; S254-G257 VanDerWaalsContact O-N 3.12Å; S254-E258 PolarHBondContact O-N 3.05Å
255	Y	88.8	Confident	85.9	Confident	3 Å²	3	53 Å²	53	1%	0.012	28%	0.281	C	S	.	.	H	α-helix	trans	-61.6	-43.8	177.4	-179.2	-103.2	0	0	0	112.7	D251 V252 G257 E258 L259 I299 F566 S603 Y607 I610	D251-Y255 WeakPolarHBondContact O-CB 3.16Å; D251-Y255 PolarHBondContact O-N 3.48Å; V252-Y255 PolarHBondContact O-N 3.45Å; Y255-G257 VanDerWaalsContact C-N 3.27Å; Y255-G257 PolarHBondContact O-N 3.17Å; Y255-E258 PolarHBondContact O-N 2.99Å; Y255-L259 HydrophobicContact CD1-CD1 3.97Å; Y255-L259 HydrophobicContact CD1-CG 4.41Å; Y255-L259 HydrophobicContact CE1-CD1 3.25Å; Y255-L259 HydrophobicContact CE1-CG 3.9Å; Y255-L259 HydrophobicContact CE2-CD1 4.42Å; Y255-L259 HydrophobicContact CE2-CD2 4.45Å; Y255-L259 HydrophobicContact CE2-CG 4.25Å; Y255-L259 PolarHBondContact O-N 3.09Å; Y255-I299 HydrophobicContact CE1-CD1 4Å; Y255-F566 HydrophobicContact CD1-CE2 4.05Å; Y255-F566 AromaticContact CD1-CZ 3.98Å; Y255-F566 HydrophobicContact CD1-CZ 3.98Å; Y255-F566 HydrophobicContact CE1-CE2 4.47Å; Y255-F566 HydrophobicContact CE1-CZ 4.42Å; Y255-S603 WeakPolarHBondContact CD2-OG 3.23Å; Y255-S603 WeakPolarHBondContact CE2-O 3.49Å; Y255-S603 WeakPolarHBondContact CE2-OG 3.36Å; Y255-Y607 HydrophobicContact CD1-CD2 4.06Å; Y255-Y607 AromaticContact CE1-CD2 3.39Å; Y255-Y607 HydrophobicContact CE1-CD2 3.39Å; Y255-Y607 HydrophobicContact CE1-CE2 4.14Å; Y255-Y607 HydrophobicContact CE1-CG 4.27Å; Y255-Y607 HydrophobicContact CE2-CD2 4.37Å; Y255-Y607 AromaticContact CZ-CD2 3.57Å; Y255-I610 HydrophobicContact CG-CD1 4.26Å
256	I	87.5	Confident	86.4	Confident	10 Å²	10	51.7 Å²	51.7	5%	0.051	28%	0.275	C	S	.	.	H	α-helix	trans	-60.5	-40	173.9	-68.1	167.8	0	0	0	110.4	V252 N253 S254 L259 R260 I299 V301 T303	V252-I256 HydrophobicContact CG1-CD1 3.72Å; V252-I256 HydrophobicContact CG1-CG1 4.33Å; V252-I256 WeakPolarHBondContact O-CB 3.29Å; V252-I256 VanDerWaalsContact O-CG1 3.24Å; V252-I256 WeakPolarHBondContact O-CG1 3.49Å; V252-I256 PolarHBondContact O-N 3.1Å; N253-I256 PolarHBondContact O-N 3.38Å; S254-I256 PolarHBondContact O-N 3.25Å; I256-L259 PolarHBondContact O-N 2.88Å; I256-R260 VanDerWaalsContact O-CG 3.31Å; I256-R260 WeakPolarHBondContact O-CG 3.24Å; I256-R260 PolarHBondContact O-N 3.48Å; I256-I299 HydrophobicContact CD1-CG2 4.25Å; I256-I299 HydrophobicContact CG1-CB 4.27Å; I256-I299 HydrophobicContact CG1-CG2 4.08Å; I256-V301 HydrophobicContact CD1-CB 4.2Å; I256-T303 HydrophobicContact CD1-CG2 4.21Å
257	G	88	Confident	87.1	Confident	42 Å²	42	47.9 Å²	47.9	43%	0.433	26%	0.261	S	S	.	.	H	α-helix	trans	-61.7	-46.4	175.1	0	0	0	0	0	113	N253 S254 Y255 R260 G261	N253-G257 PolarHBondContact O-N 3.38Å; S254-G257 WeakPolarHBondContact O-CA 3.34Å; S254-G257 PolarHBondContact O-N 2.94Å; S254-G257 VanDerWaalsContact O-N 3.12Å; Y255-G257 VanDerWaalsContact C-N 3.27Å; Y255-G257 PolarHBondContact O-N 3.17Å; G257-R260 PolarHBondContact O-N 2.95Å; G257-G261 PolarHBondContact O-N 3.47Å
258	E	88.2	Confident	87.3	Confident	64 Å²	64	52.1 Å²	52.1	30%	0.299	27%	0.273	S	S	.	.	H	α-helix	trans	-57.7	-50.5	174.8	-73.6	-179.4	-174	0	0	111.2	S254 Y255 R260 G261 Y262 S603	S254-E258 PolarHBondContact O-N 3.05Å; Y255-E258 PolarHBondContact O-N 2.99Å; E258-R260 PolarHBondContact O-N 3.01Å; E258-G261 CarbonylContact O-C 3.59Å; E258-G261 WeakPolarHBondContact O-CA 3.13Å; E258-G261 PolarHBondContact O-N 2.67Å; E258-Y262 HydrophobicContact CB-CE2 4.09Å; E258-Y262 VanDerWaalsContact O-CD2 3.24Å; E258-Y262 WeakPolarHBondContact O-CD2 3.3Å; E258-Y262 PolarHBondContact O-N 2.85Å; E258-S603 PolarHBondContact OE2-OG 2.88Å
259	L	88.1	Confident	87.5	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62	-40.4	180	-74	-175.8	0	0	0	112.8	Y255 I256 G261 Y262 A263 L297 I299 I573 I600	Y255-L259 HydrophobicContact CD1-CD1 3.97Å; Y255-L259 HydrophobicContact CD1-CG 4.41Å; Y255-L259 HydrophobicContact CE1-CD1 3.25Å; Y255-L259 HydrophobicContact CE1-CG 3.9Å; Y255-L259 HydrophobicContact CE2-CD1 4.42Å; Y255-L259 HydrophobicContact CE2-CD2 4.45Å; Y255-L259 HydrophobicContact CE2-CG 4.25Å; Y255-L259 PolarHBondContact O-N 3.09Å; I256-L259 PolarHBondContact O-N 2.88Å; L259-G261 VanDerWaalsContact C-N 3.28Å; L259-G261 PolarHBondContact O-N 3.31Å; L259-Y262 HydrophobicContact CD2-CD2 4.34Å; L259-Y262 PolarHBondContact O-N 3.23Å; L259-A263 WeakPolarHBondContact O-CB 3.39Å; L259-A263 PolarHBondContact O-N 3.09Å; L259-L297 HydrophobicContact CD2-CD2 4.35Å; L259-I299 HydrophobicContact CD1-CD1 3.27Å; L259-I299 HydrophobicContact CD1-CG1 3.86Å; L259-I573 HydrophobicContact CD1-CD1 3.77Å; L259-I600 HydrophobicContact CD2-CG2 4.34Å
260	R	88.9	Confident	87.7	Confident	118 Å²	118	50 Å²	50	45%	0.445	26%	0.264	S	S	.	.	H	α-helix	trans	-62	-38.6	172.9	-74.2	176.6	-176.4	177	3.5	111.6	I256 G257 E258 A263 N264 F298	I256-R260 VanDerWaalsContact O-CG 3.31Å; I256-R260 WeakPolarHBondContact O-CG 3.24Å; I256-R260 PolarHBondContact O-N 3.48Å; G257-R260 PolarHBondContact O-N 2.95Å; E258-R260 PolarHBondContact O-N 3.01Å; R260-A263 PolarHBondContact O-N 2.96Å; R260-N264 WeakPolarHBondContact O-CB 3.33Å; R260-N264 VanDerWaalsContact O-CG 3.27Å; R260-N264 PolarHBondContact O-N 3.07Å; R260-N264 PolarHBondContact O-ND2 3.48Å; R260-N264 VanDerWaalsContact O-ND2 3.17Å; R260-F298 HydrophobicContact CG-CD1 4.18Å
261	G	89	Confident	87.8	Confident	30 Å²	30	47.4 Å²	47.4	31%	0.309	25%	0.254	S	S	.	.	H	α-helix	trans	-58.2	-51.3	172.3	0	0	0	0	0	111.7	G257 E258 L259 N264 I265	G257-G261 PolarHBondContact O-N 3.47Å; E258-G261 CarbonylContact O-C 3.59Å; E258-G261 WeakPolarHBondContact O-CA 3.13Å; E258-G261 PolarHBondContact O-N 2.67Å; L259-G261 VanDerWaalsContact C-N 3.28Å; L259-G261 PolarHBondContact O-N 3.31Å; G261-N264 PolarHBondContact O-N 3.23Å; G261-I265 VanDerWaalsContact O-CG1 3.32Å; G261-I265 WeakPolarHBondContact O-CG1 3.43Å; G261-I265 PolarHBondContact O-N 3.46Å; G261-I265 VanDerWaalsContact O-N 3.1Å
262	Y	88.5	Confident	87.7	Confident	43 Å²	43	47.7 Å²	47.7	17%	0.169	26%	0.262	C	S	.	.	H	α-helix	trans	-63.3	-41.8	177.3	-61.9	-46.3	0	0	0	112.6	E258 L259 N264 I265 L266 Q599 I600	E258-Y262 HydrophobicContact CB-CE2 4.09Å; E258-Y262 VanDerWaalsContact O-CD2 3.24Å; E258-Y262 WeakPolarHBondContact O-CD2 3.3Å; E258-Y262 PolarHBondContact O-N 2.85Å; L259-Y262 HydrophobicContact CD2-CD2 4.34Å; L259-Y262 PolarHBondContact O-N 3.23Å; Y262-N264 VanDerWaalsContact C-N 3.3Å; Y262-N264 PolarHBondContact O-N 3.47Å; Y262-I265 PolarHBondContact O-N 3.45Å; Y262-L266 WeakPolarHBondContact O-CB 3.33Å; Y262-L266 PolarHBondContact O-N 2.74Å; Y262-Q599 HydrophobicContact CD1-CB 4.25Å; Y262-Q599 HydrophobicContact CE1-CB 3.52Å; Y262-Q599 HydrophobicContact CE1-CG 4.39Å; Y262-I600 HydrophobicContact CD1-CG1 4.42Å; Y262-I600 HydrophobicContact CD2-CG1 3.83Å; Y262-I600 HydrophobicContact CG-CG1 3.74Å
263	A	88.6	Confident	87.6	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-58	-43.8	176.8	0	0	0	0	0	111.4	L259 R260 N267 N294 L297 F298	L259-A263 WeakPolarHBondContact O-CB 3.39Å; L259-A263 PolarHBondContact O-N 3.09Å; R260-A263 PolarHBondContact O-N 2.96Å; A263-N267 VanDerWaalsContact O-CB 3.27Å; A263-N267 WeakPolarHBondContact O-CB 3.4Å; A263-N267 PolarHBondContact O-N 3.11Å; A263-N294 PolarHBondContact O-ND2 2.78Å; A263-L297 HydrophobicContact CB-CB 3.65Å; A263-L297 HydrophobicContact CB-CD1 4.2Å; A263-F298 HydrophobicContact CB-CD2 4.1Å; A263-F298 HydrophobicContact CB-CE1 4.3Å; A263-F298 HydrophobicContact CB-CE2 3.64Å; A263-F298 HydrophobicContact CB-CZ 3.75Å
264	N	88.6	Confident	87.6	Confident	82 Å²	82	45 Å²	45	44%	0.439	25%	0.247	S	C	.	.	H	α-helix	trans	-66.8	-42.2	178.4	-73.3	-30.2	0	0	0	112.5	R260 G261 Y262 K268	R260-N264 WeakPolarHBondContact O-CB 3.33Å; R260-N264 VanDerWaalsContact O-CG 3.27Å; R260-N264 PolarHBondContact O-N 3.07Å; R260-N264 PolarHBondContact O-ND2 3.48Å; R260-N264 VanDerWaalsContact O-ND2 3.17Å; G261-N264 PolarHBondContact O-N 3.23Å; Y262-N264 VanDerWaalsContact C-N 3.3Å; Y262-N264 PolarHBondContact O-N 3.47Å; N264-K268 WeakPolarHBondContact O-CG 3.36Å; N264-K268 PolarHBondContact O-N 2.79Å; N264-K268 VanDerWaalsContact O-N 3.15Å
265	I	87.6	Confident	87.6	Confident	88 Å²	88	48.2 Å²	48.2	45%	0.451	25%	0.254	S	S	.	.	H	α-helix	trans	-67.2	-44	177.4	-63.2	165.9	0	0	0	110.1	G261 Y262 K268 T269 I596	G261-I265 VanDerWaalsContact O-CG1 3.32Å; G261-I265 WeakPolarHBondContact O-CG1 3.43Å; G261-I265 PolarHBondContact O-N 3.46Å; G261-I265 VanDerWaalsContact O-N 3.1Å; Y262-I265 PolarHBondContact O-N 3.45Å; I265-K268 PolarHBondContact O-N 3.21Å; I265-T269 WeakPolarHBondContact O-CB 3.09Å; I265-T269 PolarHBondContact O-N 3.49Å; I265-T269 PolarHBondContact O-OG1 2.95Å; I265-I596 HydrophobicContact CG2-CD1 3.68Å; I265-I596 HydrophobicContact CG2-CG1 3.92Å
266	L	88.2	Confident	87.4	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.7	-43.8	177.6	-173.4	64.1	0	0	0	110.8	Y262 K268 T269 L270 L297 Y576 I580 L593 I596	Y262-L266 WeakPolarHBondContact O-CB 3.33Å; Y262-L266 PolarHBondContact O-N 2.74Å; L266-K268 PolarHBondContact O-N 2.92Å; L266-T269 PolarHBondContact O-N 2.62Å; L266-L270 HydrophobicContact CD1-CD1 4.26Å; L266-L270 HydrophobicContact CD1-CG 4.24Å; L266-L270 HydrophobicContact CD2-CD1 4.47Å; L266-L270 HydrophobicContact CG-CD1 3.89Å; L266-L270 HydrophobicContact CG-CG 4.29Å; L266-L270 WeakPolarHBondContact O-CB 3.47Å; L266-L270 WeakPolarHBondContact O-CG 3.44Å; L266-L270 PolarHBondContact O-N 3.43Å; L266-L297 HydrophobicContact CD2-CD1 3.98Å; L266-Y576 HydrophobicContact CD2-CE1 3.78Å; L266-I580 HydrophobicContact CD1-CD1 4.37Å; L266-I580 HydrophobicContact CD2-CD1 3.65Å; L266-L593 HydrophobicContact CD1-CD2 3.58Å; L266-I596 HydrophobicContact CB-CG2 4.18Å; L266-I596 HydrophobicContact CD1-CG2 4.08Å
267	N	88.1	Confident	87.2	Confident	58 Å²	58	54 Å²	54	31%	0.31	29%	0.288	S	S	.	.	H	α-helix	trans	-59.4	-49.2	177.6	-161.8	23.6	0	0	0	111.1	A263 T269 L270 D271 Q291 N294	A263-N267 VanDerWaalsContact O-CB 3.27Å; A263-N267 WeakPolarHBondContact O-CB 3.4Å; A263-N267 PolarHBondContact O-N 3.11Å; N267-T269 VanDerWaalsContact C-N 3.3Å; N267-T269 PolarHBondContact O-N 2.81Å; N267-L270 PolarHBondContact O-N 2.68Å; N267-D271 WeakPolarHBondContact O-CB 3.42Å; N267-D271 PolarHBondContact O-N 3.36Å; N267-Q291 WeakPolarHBondContact OD1-CG 3.27Å; N267-Q291 PolarHBondContact OD1-NE2 2.78Å; N267-N294 VanDerWaalsContact CB-ND2 3.34Å; N267-N294 WeakPolarHBondContact CB-ND2 3.42Å; N267-N294 PolarHBondContact N-ND2 3.36Å
268	K	87.2	Confident	87	Confident	164 Å²	164	57.8 Å²	57.8	71%	0.713	30%	0.298	S	S	*	.	H	α-helix	trans	-60.4	-40	177.8	-73.2	178.6	179.5	-176.8	0	112.3	N264 I265 L266 S272	N264-K268 WeakPolarHBondContact O-CG 3.36Å; N264-K268 PolarHBondContact O-N 2.79Å; N264-K268 VanDerWaalsContact O-N 3.15Å; I265-K268 PolarHBondContact O-N 3.21Å; L266-K268 PolarHBondContact O-N 2.92Å; K268-S272 PolarHBondContact O-N 3.24Å
269	T	86.7	Confident	86.6	Confident	25 Å²	25	63 Å²	63	15%	0.153	32%	0.323	C	S	.	.	H	α-helix	trans	-69.9	-44.9	179.8	-54.3	0	0	0	0	111.2	I265 L266 N267 S272 I273 N592 L593 I596	I265-T269 WeakPolarHBondContact O-CB 3.09Å; I265-T269 PolarHBondContact O-N 3.49Å; I265-T269 PolarHBondContact O-OG1 2.95Å; L266-T269 PolarHBondContact O-N 2.62Å; N267-T269 VanDerWaalsContact C-N 3.3Å; N267-T269 PolarHBondContact O-N 2.81Å; T269-S272 PolarHBondContact O-N 3.38Å; T269-I273 HydrophobicContact CG2-CD1 3.92Å; T269-I273 WeakPolarHBondContact O-CB 3.16Å; T269-I273 WeakPolarHBondContact O-CD1 3.38Å; T269-I273 VanDerWaalsContact O-CG1 3.23Å; T269-I273 WeakPolarHBondContact O-CG1 3.36Å; T269-I273 PolarHBondContact O-N 2.82Å; T269-N592 HydrophobicContact CG2-CB 4.06Å; T269-L593 HydrophobicContact CG2-CD2 3.89Å; T269-L593 HydrophobicContact CG2-CG 4.29Å; T269-I596 HydrophobicContact CG2-CD1 4.1Å; T269-I596 WeakPolarHBondContact OG1-CD1 3.39Å
270	L	86.9	Confident	86	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-63.1	-42.5	175.8	-74.9	173.7	0	0	0	111.2	L266 N267 S272 I273 C274 L290 L593	L266-L270 HydrophobicContact CD1-CD1 4.26Å; L266-L270 HydrophobicContact CD1-CG 4.24Å; L266-L270 HydrophobicContact CD2-CD1 4.47Å; L266-L270 HydrophobicContact CG-CD1 3.89Å; L266-L270 HydrophobicContact CG-CG 4.29Å; L266-L270 WeakPolarHBondContact O-CB 3.47Å; L266-L270 WeakPolarHBondContact O-CG 3.44Å; L266-L270 PolarHBondContact O-N 3.43Å; N267-L270 PolarHBondContact O-N 2.68Å; L270-S272 PolarHBondContact O-N 2.98Å; L270-I273 CarbonylContact O-C 3.55Å; L270-I273 PolarHBondContact O-N 3.41Å; L270-I273 VanDerWaalsContact O-N 3.12Å; L270-C274 WeakPolarHBondContact O-CB 3.48Å; L270-C274 PolarHBondContact O-N 3.49Å; L270-C274 PolarHBondContact O-SG 2.95Å; L270-L290 HydrophobicContact CD1-CB 4.17Å; L270-L290 HydrophobicContact CD2-CB 4.41Å; L270-L593 HydrophobicContact CD2-CD1 4.41Å; L270-L593 HydrophobicContact CD2-CD2 4.15Å; L270-L593 HydrophobicContact CG-CD2 4.46Å
271	D	87.3	Confident	85.7	Confident	57 Å²	57	64.7 Å²	64.7	31%	0.305	35%	0.351	S	S	.	.	H	α-helix	trans	-60.4	-47.1	179.2	-147.2	32.4	0	0	0	111	N267 I273 C274 E275 R288 Q291	N267-D271 WeakPolarHBondContact O-CB 3.42Å; N267-D271 PolarHBondContact O-N 3.36Å; D271-I273 VanDerWaalsContact C-N 3.29Å; D271-I273 PolarHBondContact O-N 2.84Å; D271-C274 PolarHBondContact O-N 2.68Å; D271-E275 WeakPolarHBondContact O-CG 3.35Å; D271-E275 PolarHBondContact O-N 3.21Å; D271-E275 VanDerWaalsContact O-N 3.08Å; D271-R288 IonicContact OD1-CZ 3.96Å; D271-R288 IonicContact OD1-NH1 2.91Å; D271-R288 PolarHBondContact OD1-NH1 3.49Å; D271-Q291 PolarHBondContact OD1-NE2 3.15Å
272	S	85.7	Confident	85.5	Confident	76 Å²	76	70.4 Å²	70.4	53%	0.531	37%	0.373	S	S	.	.	H	α-helix	trans	-60	-36.9	174.7	176.3	0	0	0	0	112.9	K268 T269 L270	K268-S272 PolarHBondContact O-N 3.24Å; T269-S272 PolarHBondContact O-N 3.38Å; L270-S272 PolarHBondContact O-N 2.98Å
273	I	84.4	Confident	85.3	Confident	15 Å²	15	72.6 Å²	72.6	8%	0.077	39%	0.385	C	S	.	.	H	α-helix	trans	-71.6	-46.4	177	-73.1	167.7	0	0	0	110.8	T269 L270 D271 E275 T276 F277 F583 F590 L593	T269-I273 HydrophobicContact CG2-CD1 3.92Å; T269-I273 WeakPolarHBondContact O-CB 3.16Å; T269-I273 WeakPolarHBondContact O-CD1 3.38Å; T269-I273 VanDerWaalsContact O-CG1 3.23Å; T269-I273 WeakPolarHBondContact O-CG1 3.36Å; T269-I273 PolarHBondContact O-N 2.82Å; L270-I273 CarbonylContact O-C 3.55Å; L270-I273 PolarHBondContact O-N 3.41Å; L270-I273 VanDerWaalsContact O-N 3.12Å; D271-I273 VanDerWaalsContact C-N 3.29Å; D271-I273 PolarHBondContact O-N 2.84Å; I273-E275 PolarHBondContact O-N 3.02Å; I273-T276 PolarHBondContact O-N 3.41Å; I273-T276 PolarHBondContact O-OG1 2.89Å; I273-F277 HydrophobicContact CG2-CD2 4.49Å; I273-F277 HydrophobicContact CG2-CE2 3.75Å; I273-F277 WeakPolarHBondContact O-CD2 3.39Å; I273-F583 HydrophobicContact CG2-CE1 4.43Å; I273-F590 HydrophobicContact CB-CD1 4.49Å; I273-F590 HydrophobicContact CB-CE1 3.95Å; I273-F590 HydrophobicContact CB-CZ 4.39Å; I273-F590 HydrophobicContact CD1-CB 4.45Å; I273-F590 HydrophobicContact CD1-CD1 3.41Å; I273-F590 VanDerWaalsContact CD1-CD1 3.41Å; I273-F590 HydrophobicContact CD1-CE1 3.76Å; I273-F590 HydrophobicContact CD1-CG 3.98Å; I273-F590 HydrophobicContact CD1-CZ 4.49Å; I273-F590 HydrophobicContact CG1-CD1 3.66Å; I273-F590 HydrophobicContact CG1-CE1 3.56Å; I273-F590 HydrophobicContact CG1-CZ 4.4Å; I273-F590 HydrophobicContact CG2-CD1 4.04Å; I273-F590 HydrophobicContact CG2-CE1 3.21Å; I273-F590 HydrophobicContact CG2-CE2 4.04Å; I273-F590 HydrophobicContact CG2-CZ 3.21Å; I273-L593 HydrophobicContact CD1-CD1 3.68Å; I273-L593 HydrophobicContact CD1-CD2 4.21Å; I273-L593 HydrophobicContact CD1-CG 3.71Å
274	C	86.2	Confident	85.1	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-62.2	-30.5	-177.7	-63.4	0	0	0	0	111.8	L270 D271 T276 F277 C287	L270-C274 WeakPolarHBondContact O-CB 3.48Å; L270-C274 PolarHBondContact O-N 3.49Å; L270-C274 PolarHBondContact O-SG 2.95Å; D271-C274 PolarHBondContact O-N 2.68Å; C274-T276 VanDerWaalsContact C-N 3.31Å; C274-F277 PolarHBondContact O-N 3.45Å; C274-C287 WeakPolarHBondContact CA-SG 3.17Å; C274-C287 HydrophobicContact CB-CB 4.01Å; C274-C287 WeakPolarHBondContact CB-SG 3.2Å; C274-C287 PolarHBondContact N-SG 3.3Å; C274-C287 VanDerWaalsContact N-SG 3.4Å; C274-C287 WeakPolarHBondContact SG-CB 3.46Å; C274-C287 CovalentContact SG-SG 2.04Å; C274-C287 PolarHBondContact SG-SG 3.3Å
275	E	86.5	Confident	85	Confident	137 Å²	137	75 Å²	75	64%	0.64	40%	0.399	S	S	*	.	H	α-helix	trans	-68.9	-24.5	174.9	-75.2	-177.1	169.9	0	0	113.7	D271 I273 F277	D271-E275 WeakPolarHBondContact O-CG 3.35Å; D271-E275 PolarHBondContact O-N 3.21Å; D271-E275 VanDerWaalsContact O-N 3.08Å; I273-E275 PolarHBondContact O-N 3.02Å; E275-F277 PolarHBondContact O-N 3.15Å
276	T	84.6	Confident	84.9	Confident	99 Å²	99	72.6 Å²	72.6	61%	0.607	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-14.7	177.2	67	0	0	0	0	113.6	I273 C274	I273-T276 PolarHBondContact O-N 3.41Å; I273-T276 PolarHBondContact O-OG1 2.89Å; C274-T276 VanDerWaalsContact C-N 3.31Å
277	F	84.4	Confident	84.9	Confident	37 Å²	37	72.6 Å²	72.6	16%	0.162	39%	0.393	C	S	.	.	S	Bend	trans	-93.9	138.9	-179.9	-63.6	-65.3	0	0	0	112.5	I273 C274 E275 E283 K284 F583 F590	I273-F277 HydrophobicContact CG2-CD2 4.49Å; I273-F277 HydrophobicContact CG2-CE2 3.75Å; I273-F277 WeakPolarHBondContact O-CD2 3.39Å; C274-F277 PolarHBondContact O-N 3.45Å; E275-F277 PolarHBondContact O-N 3.15Å; F277-E283 HydrophobicContact CD1-CB 3.67Å; F277-E283 HydrophobicContact CD1-CG 4.41Å; F277-E283 HydrophobicContact CD2-CB 4.26Å; F277-E283 HydrophobicContact CE1-CB 3.53Å; F277-E283 HydrophobicContact CE1-CG 3.99Å; F277-E283 HydrophobicContact CE2-CB 4.14Å; F277-E283 HydrophobicContact CG-CB 4.03Å; F277-E283 HydrophobicContact CZ-CB 3.76Å; F277-E283 HydrophobicContact CZ-CG 4.39Å; F277-K284 HydrophobicContact CB-CB 3.78Å; F277-K284 HydrophobicContact CB-CG 4.18Å; F277-K284 PolarHBondContact O-NZ 3.46Å; F277-F583 HydrophobicContact CE2-CZ 4.03Å; F277-F583 HydrophobicContact CZ-CZ 4.37Å; F277-F590 AromaticContact CE2-CZ 3.99Å; F277-F590 HydrophobicContact CE2-CZ 3.99Å; F277-F590 HydrophobicContact CZ-CE2 4.39Å; F277-F590 AromaticContact CZ-CZ 3.73Å; F277-F590 HydrophobicContact CZ-CZ 3.73Å
278	N	82.6	Confident	84.8	Confident	121 Å²	121	75 Å²	75	65%	0.647	40%	0.398	S	S	*	.			trans	-62.4	145.7	173.3	-73.1	-14.1	0	0	0	110.7	S280 T281	N278-S280 PolarHBondContact O-N 3.38Å; N278-T281 HydrophobicContact CB-CG2 3.78Å; N278-T281 PolarHBondContact O-N 2.9Å; N278-T281 VanDerWaalsContact O-N 3.14Å; N278-T281 PolarHBondContact O-OG1 3.31Å
279	E	79.8	Confident	84.9	Confident	174 Å²	174	72.2 Å²	72.2	81%	0.813	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-29	-173.4	-75.9	-168.4	165.3	0	0	115.1
280	S	77.1	Confident	84.9	Confident	116 Å²	116	71.4 Å²	71.4	81%	0.811	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	5.3	-175.1	64.1	0	0	0	0	114.8	N278	N278-S280 PolarHBondContact O-N 3.38Å
281	T	82.7	Confident	85	Confident	37 Å²	37	73 Å²	73	23%	0.227	39%	0.39	C	S	.	.			trans	-92.1	146.7	-174.3	77.5	0	0	0	0	112.4	N278 E283 K284 V285	N278-T281 HydrophobicContact CB-CG2 3.78Å; N278-T281 PolarHBondContact O-N 2.9Å; N278-T281 VanDerWaalsContact O-N 3.14Å; N278-T281 PolarHBondContact O-OG1 3.31Å; T281-E283 WeakPolarHBondContact CB-OE2 3.45Å; T281-E283 PolarHBondContact O-N 3.38Å; T281-E283 PolarHBondContact OG1-OE2 2.85Å; T281-E283 VanDerWaalsContact OG1-OE2 3.13Å; T281-K284 PolarHBondContact O-N 2.77Å; T281-K284 VanDerWaalsContact O-N 3.12Å; T281-V285 PolarHBondContact O-N 3.23Å
282	L	84.2	Confident	85	Confident	150 Å²	150	77.5 Å²	77.5	79%	0.785	41%	0.407	S	S	*	.	H	α-helix	trans	-59.6	-33	178.8	-164.2	102.4	0	0	0	111.1	K284 V285 A286	L282-K284 PolarHBondContact O-N 3.04Å; L282-V285 PolarHBondContact O-N 2.67Å; L282-A286 PolarHBondContact O-N 3.15Å
283	E	83.2	Confident	85.1	Confident	89 Å²	89	75.2 Å²	75.2	42%	0.416	39%	0.388	S	S	.	.	H	α-helix	trans	-64.1	-37.2	177.5	-59.3	84.1	174.5	0	0	112.2	F277 T281 A286 C287	F277-E283 HydrophobicContact CD1-CB 3.67Å; F277-E283 HydrophobicContact CD1-CG 4.41Å; F277-E283 HydrophobicContact CD2-CB 4.26Å; F277-E283 HydrophobicContact CE1-CB 3.53Å; F277-E283 HydrophobicContact CE1-CG 3.99Å; F277-E283 HydrophobicContact CE2-CB 4.14Å; F277-E283 HydrophobicContact CG-CB 4.03Å; F277-E283 HydrophobicContact CZ-CB 3.76Å; F277-E283 HydrophobicContact CZ-CG 4.39Å; T281-E283 WeakPolarHBondContact CB-OE2 3.45Å; T281-E283 PolarHBondContact O-N 3.38Å; T281-E283 PolarHBondContact OG1-OE2 2.85Å; T281-E283 VanDerWaalsContact OG1-OE2 3.13Å; E283-A286 PolarHBondContact O-N 3.05Å; E283-C287 VanDerWaalsContact O-CB 3.22Å; E283-C287 WeakPolarHBondContact O-CB 3.32Å; E283-C287 PolarHBondContact O-N 3.02Å
284	K	85.4	Confident	85.3	Confident	33 Å²	33	74.6 Å²	74.6	14%	0.143	39%	0.385	C	S	.	.	H	α-helix	trans	-67.8	-41.3	177.1	-163.7	177.1	-164.3	149.4	0	111.6	F277 T281 L282 C287 R288	F277-K284 HydrophobicContact CB-CB 3.78Å; F277-K284 HydrophobicContact CB-CG 4.18Å; F277-K284 PolarHBondContact O-NZ 3.46Å; T281-K284 PolarHBondContact O-N 2.77Å; T281-K284 VanDerWaalsContact O-N 3.12Å; L282-K284 PolarHBondContact O-N 3.04Å; K284-C287 PolarHBondContact O-N 3.34Å; K284-R288 WeakPolarHBondContact O-CG 3.27Å; K284-R288 PolarHBondContact O-N 3.36Å
285	V	85.8	Confident	85.2	Confident	98 Å²	98	77.9 Å²	77.9	59%	0.594	41%	0.408	S	S	*	.	H	α-helix	trans	-61.8	-48	176	178.4	0	0	0	0	110.2	T281 L282 C287 R288 Q289	T281-V285 PolarHBondContact O-N 3.23Å; L282-V285 PolarHBondContact O-N 2.67Å; V285-C287 VanDerWaalsContact C-N 3.34Å; V285-C287 PolarHBondContact O-N 3.33Å; V285-R288 PolarHBondContact O-N 3.01Å; V285-Q289 WeakPolarHBondContact O-CB 3.23Å; V285-Q289 PolarHBondContact O-N 3.48Å
286	A	86.3	Confident	85.2	Confident	38 Å²	38	74.1 Å²	74.1	31%	0.314	39%	0.392	S	S	.	.	H	α-helix	trans	-61	-41.3	176.4	0	0	0	0	0	112.3	L282 E283 Q289 L290 F583	L282-A286 PolarHBondContact O-N 3.15Å; E283-A286 PolarHBondContact O-N 3.05Å; A286-Q289 WeakPolarHBondContact O-CB 3.35Å; A286-Q289 PolarHBondContact O-N 3.13Å; A286-L290 PolarHBondContact O-N 3.44Å; A286-F583 HydrophobicContact CB-CD2 3.97Å; A286-F583 HydrophobicContact CB-CE2 3.89Å
287	C	87.4	Confident	85.2	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-64.3	-45.7	178	-170.6	0	0	0	0	112.3	C274 E283 K284 V285 Q289 L290 Q291 F583	C274-C287 WeakPolarHBondContact CA-SG 3.17Å; C274-C287 HydrophobicContact CB-CB 4.01Å; C274-C287 WeakPolarHBondContact CB-SG 3.2Å; C274-C287 PolarHBondContact N-SG 3.3Å; C274-C287 VanDerWaalsContact N-SG 3.4Å; C274-C287 WeakPolarHBondContact SG-CB 3.46Å; C274-C287 CovalentContact SG-SG 2.04Å; C274-C287 PolarHBondContact SG-SG 3.3Å; E283-C287 VanDerWaalsContact O-CB 3.22Å; E283-C287 WeakPolarHBondContact O-CB 3.32Å; E283-C287 PolarHBondContact O-N 3.02Å; K284-C287 PolarHBondContact O-N 3.34Å; V285-C287 VanDerWaalsContact C-N 3.34Å; V285-C287 PolarHBondContact O-N 3.33Å; C287-Q289 VanDerWaalsContact C-N 3.29Å; C287-Q289 PolarHBondContact O-N 2.9Å; C287-L290 PolarHBondContact O-N 3.48Å; C287-Q291 PolarHBondContact O-N 3.13Å; C287-F583 HydrophobicContact CB-CE2 4.28Å; C287-F583 HydrophobicContact CB-CZ 3.83Å
288	R	87.5	Confident	85.3	Confident	109 Å²	109	72.1 Å²	72.1	41%	0.411	38%	0.375	S	S	.	.	H	α-helix	trans	-64.2	-34.5	175.5	-72.8	-65	-167.9	-163	-2.2	112	D271 K284 V285 Q291 F292	D271-R288 IonicContact OD1-CZ 3.96Å; D271-R288 IonicContact OD1-NH1 2.91Å; D271-R288 PolarHBondContact OD1-NH1 3.49Å; K284-R288 WeakPolarHBondContact O-CG 3.27Å; K284-R288 PolarHBondContact O-N 3.36Å; V285-R288 PolarHBondContact O-N 3.01Å; R288-Q291 WeakPolarHBondContact O-CB 3.41Å; R288-Q291 PolarHBondContact O-N 3.37Å; R288-F292 PolarHBondContact O-N 3.06Å
289	Q	88.1	Confident	85.1	Confident	105 Å²	105	66.7 Å²	66.7	49%	0.491	35%	0.346	S	S	.	.	H	α-helix	trans	-63.9	-44.7	173.7	-169.5	66.7	18.3	0	0	111.7	V285 A286 C287 Q291 F292 N293	V285-Q289 WeakPolarHBondContact O-CB 3.23Å; V285-Q289 PolarHBondContact O-N 3.48Å; A286-Q289 WeakPolarHBondContact O-CB 3.35Å; A286-Q289 PolarHBondContact O-N 3.13Å; C287-Q289 VanDerWaalsContact C-N 3.29Å; C287-Q289 PolarHBondContact O-N 2.9Å; Q289-Q291 VanDerWaalsContact C-N 3.29Å; Q289-Q291 PolarHBondContact O-N 3.4Å; Q289-F292 PolarHBondContact O-N 3.41Å; Q289-N293 WeakPolarHBondContact O-CB 3.4Å; Q289-N293 PolarHBondContact O-N 2.98Å
290	L	87.8	Confident	85.1	Confident	9 Å²	9	64.9 Å²	64.9	5%	0.047	34%	0.342	C	S	.	.	H	α-helix	trans	-62.2	-37.4	174.8	-72	175.8	0	0	0	112.3	L270 A286 C287 N293 N294 Y576 E579 I580 F583	L270-L290 HydrophobicContact CD1-CB 4.17Å; L270-L290 HydrophobicContact CD2-CB 4.41Å; A286-L290 PolarHBondContact O-N 3.44Å; C287-L290 PolarHBondContact O-N 3.48Å; L290-N293 PolarHBondContact O-N 2.77Å; L290-N294 PolarHBondContact O-N 3.02Å; L290-Y576 HydrophobicContact CD2-CE2 4.19Å; L290-Y576 PolarHBondContact O-OH 2.78Å; L290-E579 HydrophobicContact CD2-CB 3.81Å; L290-I580 HydrophobicContact CD2-CG1 3.94Å; L290-F583 HydrophobicContact CD1-CB 3.55Å; L290-F583 HydrophobicContact CD1-CD1 3.64Å; L290-F583 HydrophobicContact CD1-CD2 4.03Å; L290-F583 HydrophobicContact CD1-CE1 4.35Å; L290-F583 HydrophobicContact CD1-CG 3.46Å; L290-F583 VanDerWaalsContact CD1-CG 3.46Å
291	Q	87.8	Confident	85.2	Confident	34 Å²	34	60 Å²	60	16%	0.159	31%	0.307	C	S	.	.	H	α-helix	trans	-64.6	-41.6	175.9	-165.9	-179	12.7	0	0	111.6	N267 D271 C287 R288 Q289 N294	N267-Q291 WeakPolarHBondContact OD1-CG 3.27Å; N267-Q291 PolarHBondContact OD1-NE2 2.78Å; D271-Q291 PolarHBondContact OD1-NE2 3.15Å; C287-Q291 PolarHBondContact O-N 3.13Å; R288-Q291 WeakPolarHBondContact O-CB 3.41Å; R288-Q291 PolarHBondContact O-N 3.37Å; Q289-Q291 VanDerWaalsContact C-N 3.29Å; Q289-Q291 PolarHBondContact O-N 3.4Å; Q291-N294 WeakPolarHBondContact O-CB 3.43Å; Q291-N294 PolarHBondContact O-N 2.91Å
292	F	87.2	Confident	85	Confident	151 Å²	151	61.6 Å²	61.6	66%	0.662	31%	0.314	S	S	*	.	H	α-helix	trans	-65.5	-44.2	174.8	-176.3	-96.7	0	0	0	111.9	R288 Q289 N294 S295	R288-F292 PolarHBondContact O-N 3.06Å; Q289-F292 PolarHBondContact O-N 3.41Å; F292-N294 PolarHBondContact O-N 3.4Å; F292-S295 WeakPolarHBondContact O-CB 3.26Å; F292-S295 PolarHBondContact O-N 3.06Å; F292-S295 PolarHBondContact O-OG 3.38Å
293	N	88.3	Confident	84.7	Confident	28 Å²	28	55.2 Å²	55.2	15%	0.15	28%	0.281	C	S	.	.	H	α-helix	trans	-68.2	-14.7	177.9	-73.6	2.5	0	0	0	113.1	Q289 L290 S295 I296 Y576 E579	Q289-N293 WeakPolarHBondContact O-CB 3.4Å; Q289-N293 PolarHBondContact O-N 2.98Å; L290-N293 PolarHBondContact O-N 2.77Å; N293-S295 PolarHBondContact O-N 3.11Å; N293-I296 HydrophobicContact CB-CD1 4.33Å; N293-I296 VanDerWaalsContact O-CB 3.31Å; N293-I296 WeakPolarHBondContact O-CB 3.41Å; N293-I296 WeakPolarHBondContact O-CD1 3.08Å; N293-I296 WeakPolarHBondContact O-CG1 3.32Å; N293-I296 PolarHBondContact O-N 3.35Å; N293-Y576 HydrophobicContact CB-CD2 3.75Å; N293-Y576 HydrophobicContact CB-CE2 3.47Å; N293-Y576 VanDerWaalsContact CB-CE2 3.47Å; N293-E579 PolarHBondContact ND2-OE2 2.99Å
294	N	87.6	Confident	84.3	Confident	2 Å²	2	58 Å²	58	1%	0.011	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-60.1	-18.9	174.3	-167.3	26.6	0	0	0	113	A263 N267 L290 Q291 F292 I296 L297 Y576	A263-N294 PolarHBondContact O-ND2 2.78Å; N267-N294 VanDerWaalsContact CB-ND2 3.34Å; N267-N294 WeakPolarHBondContact CB-ND2 3.42Å; N267-N294 PolarHBondContact N-ND2 3.36Å; L290-N294 PolarHBondContact O-N 3.02Å; Q291-N294 WeakPolarHBondContact O-CB 3.43Å; Q291-N294 PolarHBondContact O-N 2.91Å; F292-N294 PolarHBondContact O-N 3.4Å; N294-I296 PolarHBondContact O-N 3.43Å; N294-I296 VanDerWaalsContact O-N 3.13Å; N294-L297 PolarHBondContact O-N 3.47Å; N294-L297 VanDerWaalsContact O-N 3.09Å; N294-L297 WeakPolarHBondContact OD1-CD1 3.35Å; N294-Y576 VanDerWaalsContact CA-OH 3.24Å; N294-Y576 WeakPolarHBondContact CA-OH 3.35Å; N294-Y576 VanDerWaalsContact CB-OH 3.29Å; N294-Y576 WeakPolarHBondContact CB-OH 3.18Å; N294-Y576 PolarHBondContact N-OH 3.38Å
295	S	85.3	Confident	83.7	Confident	68 Å²	68	59.7 Å²	59.7	48%	0.476	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-51.7	-27.6	168.4	54.8	0	0	0	0	113.4	F292 N293 L297 F298	F292-S295 WeakPolarHBondContact O-CB 3.26Å; F292-S295 PolarHBondContact O-N 3.06Å; F292-S295 PolarHBondContact O-OG 3.38Å; N293-S295 PolarHBondContact O-N 3.11Å; S295-L297 PolarHBondContact O-N 3.42Å; S295-F298 WeakPolarHBondContact O-CB 3.34Å; S295-F298 PolarHBondContact O-N 3.34Å
296	I	85.8	Confident	83	Confident	58 Å²	58	55.1 Å²	55.1	30%	0.297	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-60.4	-30.5	177.7	-65.8	167.4	0	0	0	112.4	N293 N294 F298 N572 I573 Y576	N293-I296 HydrophobicContact CB-CD1 4.33Å; N293-I296 VanDerWaalsContact O-CB 3.31Å; N293-I296 WeakPolarHBondContact O-CB 3.41Å; N293-I296 WeakPolarHBondContact O-CD1 3.08Å; N293-I296 WeakPolarHBondContact O-CG1 3.32Å; N293-I296 PolarHBondContact O-N 3.35Å; N294-I296 PolarHBondContact O-N 3.43Å; N294-I296 VanDerWaalsContact O-N 3.13Å; I296-F298 VanDerWaalsContact C-N 3.27Å; I296-F298 PolarHBondContact O-N 3.12Å; I296-N572 HydrophobicContact CG2-CB 4.09Å; I296-I573 HydrophobicContact CG2-CG1 4.5Å; I296-Y576 HydrophobicContact CD1-CD2 4.35Å; I296-Y576 HydrophobicContact CD1-CG 4.37Å
297	L	84.9	Confident	81.9	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-77.5	-13.9	177.7	-62	-175.8	0	0	0	112.7	L259 A263 L266 N294 S295 I299 I573 Y576 I600	L259-L297 HydrophobicContact CD2-CD2 4.35Å; A263-L297 HydrophobicContact CB-CB 3.65Å; A263-L297 HydrophobicContact CB-CD1 4.2Å; L266-L297 HydrophobicContact CD2-CD1 3.98Å; N294-L297 PolarHBondContact O-N 3.47Å; N294-L297 VanDerWaalsContact O-N 3.09Å; N294-L297 WeakPolarHBondContact OD1-CD1 3.35Å; S295-L297 PolarHBondContact O-N 3.42Å; L297-I299 PolarHBondContact O-N 3.42Å; L297-I573 HydrophobicContact CD2-CG1 4.33Å; L297-I573 HydrophobicContact CD2-CG2 4.11Å; L297-Y576 HydrophobicContact CD1-CE1 4.07Å; L297-Y576 HydrophobicContact CD2-CD1 4.31Å; L297-Y576 HydrophobicContact CG-CD1 4.2Å; L297-Y576 HydrophobicContact CG-CE1 4.07Å; L297-I600 HydrophobicContact CD1-CD1 4Å
298	F	86.4	Confident	80.7	Confident	94 Å²	94	58.3 Å²	58.3	41%	0.412	28%	0.283	S	S	.	.	S	Bend	trans	-83.4	71.5	171.6	-65.6	-88.3	0	0	0	110.2	R260 A263 S295 I296 N300	R260-F298 HydrophobicContact CG-CD1 4.18Å; A263-F298 HydrophobicContact CB-CD2 4.1Å; A263-F298 HydrophobicContact CB-CE1 4.3Å; A263-F298 HydrophobicContact CB-CE2 3.64Å; A263-F298 HydrophobicContact CB-CZ 3.75Å; S295-F298 WeakPolarHBondContact O-CB 3.34Å; S295-F298 PolarHBondContact O-N 3.34Å; I296-F298 VanDerWaalsContact C-N 3.27Å; I296-F298 PolarHBondContact O-N 3.12Å; F298-N300 PolarHBondContact O-N 3.18Å
299	I	79.4	Confident	79.3	Confident	7 Å²	7	58.5 Å²	58.5	4%	0.036	29%	0.288	C	S	.	.			trans	-57.1	126.8	175.2	-62.4	-173	0	0	0	110.3	Y255 I256 L259 L297 V301 I569 I573	Y255-I299 HydrophobicContact CE1-CD1 4Å; I256-I299 HydrophobicContact CD1-CG2 4.25Å; I256-I299 HydrophobicContact CG1-CB 4.27Å; I256-I299 HydrophobicContact CG1-CG2 4.08Å; L259-I299 HydrophobicContact CD1-CD1 3.27Å; L259-I299 HydrophobicContact CD1-CG1 3.86Å; L297-I299 PolarHBondContact O-N 3.42Å; I299-V301 HydrophobicContact CG2-CB 4.08Å; I299-V301 HydrophobicContact CG2-CG2 3.6Å; I299-I569 HydrophobicContact CB-CD1 4.36Å; I299-I569 HydrophobicContact CD1-CB 4.46Å; I299-I569 HydrophobicContact CD1-CD1 4.04Å; I299-I569 HydrophobicContact CD1-CG2 3.63Å; I299-I569 HydrophobicContact CG1-CD1 4.14Å; I299-I569 HydrophobicContact CG1-CG2 3.91Å; I299-I569 HydrophobicContact CG2-CD1 3.51Å; I299-I573 HydrophobicContact CD1-CD1 4.21Å
300	N	79.9	Confident	77.8	Confident	137 Å²	137	53.9 Å²	53.9	73%	0.733	27%	0.267	S	S	*	.			trans	-110.6	84.6	171	-170.5	35.7	0	0	0	109.5	F298	F298-N300 PolarHBondContact O-N 3.18Å
301	V	77.5	Confident	76.6	Confident	12 Å²	12	53.4 Å²	53.4	7%	0.073	27%	0.265	C	S	.	.			trans	-110.9	125.7	171	165.8	0	0	0	0	107.5	I256 I299 T303 F306 E562 F566 I569	I256-V301 HydrophobicContact CD1-CB 4.2Å; I299-V301 HydrophobicContact CG2-CB 4.08Å; I299-V301 HydrophobicContact CG2-CG2 3.6Å; V301-T303 VanDerWaalsContact C-N 3.35Å; V301-T303 HydrophobicContact CG1-CG2 4.11Å; V301-T303 PolarHBondContact O-N 2.93Å; V301-F306 HydrophobicContact CG1-CE1 4.27Å; V301-F306 HydrophobicContact CG1-CE2 4.26Å; V301-F306 HydrophobicContact CG1-CZ 3.66Å; V301-E562 WeakPolarHBondContact CA-OE1 3.47Å; V301-E562 HydrophobicContact CG1-CG 4.18Å; V301-F566 HydrophobicContact CG2-CB 4.14Å; V301-F566 HydrophobicContact CG2-CD2 4.05Å; V301-I569 HydrophobicContact CG2-CD1 3.92Å
302	D	80.2	Confident	75.3	Confident	72 Å²	72	53.9 Å²	53.9	39%	0.385	27%	0.272	S	S	.	.			trans	-80.7	88.9	176.4	-168.1	-4.7	0	0	0	109.1	K304 L305 E562	D302-K304 PolarHBondContact O-N 2.83Å; D302-K304 WeakPolarHBondContact OD1-CB 3.46Å; D302-K304 WeakPolarHBondContact OD1-CG 3.22Å; D302-K304 PolarHBondContact OD1-N 3.02Å; D302-L305 HydrophobicContact CB-CD1 3.97Å; D302-L305 HydrophobicContact CB-CG 3.99Å; D302-L305 WeakPolarHBondContact O-CB 3.18Å; D302-L305 PolarHBondContact O-N 2.96Å; D302-E562 PolarHBondContact N-OE1 3.19Å
303	T	77.4	Confident	74.2	Confident	15 Å²	15	49.4 Å²	49.4	9%	0.092	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-2.8	178.4	62.9	0	0	0	0	113.2	Q249 V252 N253 I256 V301 F306	Q249-T303 PolarHBondContact NE2-O 3.24Å; V252-T303 HydrophobicContact CB-CG2 4.45Å; V252-T303 HydrophobicContact CG1-CG2 3.76Å; N253-T303 VanDerWaalsContact OD1-CG2 3.23Å; N253-T303 WeakPolarHBondContact OD1-CG2 3.33Å; N253-T303 PolarHBondContact OD1-OG1 3.38Å; I256-T303 HydrophobicContact CD1-CG2 4.21Å; V301-T303 VanDerWaalsContact C-N 3.35Å; V301-T303 HydrophobicContact CG1-CG2 4.11Å; V301-T303 PolarHBondContact O-N 2.93Å; T303-F306 HydrophobicContact CG2-CD2 4.26Å; T303-F306 HydrophobicContact CG2-CE2 4.04Å; T303-F306 WeakPolarHBondContact O-CB 3.05Å
304	K	75.2	Confident	73	Confident	147 Å²	147	48 Å²	48	64%	0.639	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-28	166.4	-56.7	177.2	177.9	178.3	0	112.1	D302 F306 E307	D302-K304 PolarHBondContact O-N 2.83Å; D302-K304 WeakPolarHBondContact OD1-CB 3.46Å; D302-K304 WeakPolarHBondContact OD1-CG 3.22Å; D302-K304 PolarHBondContact OD1-N 3.02Å; K304-F306 PolarHBondContact O-N 3.4Å; K304-E307 VanDerWaalsContact O-CB 3.22Å; K304-E307 WeakPolarHBondContact O-CB 3.44Å; K304-E307 VanDerWaalsContact O-CG 3.24Å; K304-E307 WeakPolarHBondContact O-CG 3.39Å; K304-E307 PolarHBondContact O-N 3.36Å
305	L	72.8	Confident	72	Confident	70 Å²	70	49 Å²	49	37%	0.366	25%	0.252	S	S	.	.	S	Bend	trans	-71.1	-11.6	173.3	-65.1	177.4	0	0	0	112.9	D302 E307 T559 E562	D302-L305 HydrophobicContact CB-CD1 3.97Å; D302-L305 HydrophobicContact CB-CG 3.99Å; D302-L305 WeakPolarHBondContact O-CB 3.18Å; D302-L305 PolarHBondContact O-N 2.96Å; L305-E307 PolarHBondContact O-N 2.99Å; L305-T559 PolarHBondContact O-OG1 3.04Å; L305-E562 HydrophobicContact CB-CB 4.36Å; L305-E562 HydrophobicContact CB-CG 4.21Å; L305-E562 HydrophobicContact CD1-CG 4.26Å
306	F	71.4	Confident	71	Confident	2 Å²	2	51.8 Å²	51.8	1%	0.009	26%	0.256	C	S	.	.			trans	-73.1	39	160.6	-57.5	-11.3	0	0	0	110.6	Q245 V252 V301 T303 K304 F308 E562 I563	Q245-F306 PolarHBondContact NE2-O 3.45Å; V252-F306 HydrophobicContact CB-CE2 4.29Å; V252-F306 HydrophobicContact CG1-CE2 4.06Å; V252-F306 HydrophobicContact CG2-CE2 4.14Å; V301-F306 HydrophobicContact CG1-CE1 4.27Å; V301-F306 HydrophobicContact CG1-CE2 4.26Å; V301-F306 HydrophobicContact CG1-CZ 3.66Å; T303-F306 HydrophobicContact CG2-CD2 4.26Å; T303-F306 HydrophobicContact CG2-CE2 4.04Å; T303-F306 WeakPolarHBondContact O-CB 3.05Å; K304-F306 PolarHBondContact O-N 3.4Å; F306-F308 HydrophobicContact CB-CD2 4.35Å; F306-F308 HydrophobicContact CB-CE2 3.69Å; F306-F308 HydrophobicContact CB-CZ 3.84Å; F306-F308 HydrophobicContact CG-CZ 4.36Å; F306-F308 WeakPolarHBondContact O-CD2 3.4Å; F306-F308 WeakPolarHBondContact O-CE2 3.47Å; F306-F308 WeakPolarHBondContact O-CG 3.28Å; F306-F308 PolarHBondContact O-N 3.29Å; F306-E562 HydrophobicContact CD1-CG 4.36Å; F306-E562 HydrophobicContact CE1-CB 4.04Å; F306-E562 HydrophobicContact CE1-CG 3.74Å; F306-I563 HydrophobicContact CD1-CG1 3.9Å; F306-I563 HydrophobicContact CE1-CB 4.49Å; F306-I563 HydrophobicContact CE1-CG1 3.57Å; F306-I563 HydrophobicContact CZ-CG1 4.23Å
307	E	61.8	Low	69.9	Low	104 Å²	104	50.5 Å²	50.5	49%	0.486	25%	0.249	S	C	.	.			trans	-77.1	80.7	-178.6	-119.9	178.2	-140.8	0	0	108	K304 L305 E309	K304-E307 VanDerWaalsContact O-CB 3.22Å; K304-E307 WeakPolarHBondContact O-CB 3.44Å; K304-E307 VanDerWaalsContact O-CG 3.24Å; K304-E307 WeakPolarHBondContact O-CG 3.39Å; K304-E307 PolarHBondContact O-N 3.36Å; L305-E307 PolarHBondContact O-N 2.99Å; E307-E309 HydrophobicContact CG-CG 4.42Å; E307-E309 PolarHBondContact O-N 3.45Å
308	F	62.8	Low	68.9	Low	1 Å²	1	51.2 Å²	51.2	0%	0.004	25%	0.253	C	S	.	.			trans	-83.8	12.2	174	-44.3	-62.2	0	0	0	111.8	I241 Q245 L248 F306 S310 S311 T559 I563 L617 F621	I241-F308 HydrophobicContact CG2-CB 3.59Å; I241-F308 HydrophobicContact CG2-CD1 4.03Å; I241-F308 HydrophobicContact CG2-CG 3.9Å; Q245-F308 HydrophobicContact CB-CB 4.08Å; Q245-F308 HydrophobicContact CB-CD2 3.37Å; Q245-F308 HydrophobicContact CB-CE2 4.14Å; Q245-F308 HydrophobicContact CB-CG 4.11Å; Q245-F308 HydrophobicContact CG-CB 4.2Å; Q245-F308 HydrophobicContact CG-CD2 3.47Å; Q245-F308 VanDerWaalsContact CG-CD2 3.47Å; Q245-F308 HydrophobicContact CG-CE2 4.33Å; Q245-F308 HydrophobicContact CG-CG 4.3Å; L248-F308 HydrophobicContact CD2-CE2 4.43Å; L248-F308 HydrophobicContact CD2-CZ 4.27Å; F306-F308 HydrophobicContact CB-CD2 4.35Å; F306-F308 HydrophobicContact CB-CE2 3.69Å; F306-F308 HydrophobicContact CB-CZ 3.84Å; F306-F308 HydrophobicContact CG-CZ 4.36Å; F306-F308 WeakPolarHBondContact O-CD2 3.4Å; F306-F308 WeakPolarHBondContact O-CE2 3.47Å; F306-F308 WeakPolarHBondContact O-CG 3.28Å; F306-F308 PolarHBondContact O-N 3.29Å; F308-S310 PolarHBondContact O-N 3.41Å; F308-S310 VanDerWaalsContact O-N 3.12Å; F308-S311 WeakPolarHBondContact O-CA 3.46Å; F308-S311 WeakPolarHBondContact O-CB 3.47Å; F308-S311 PolarHBondContact O-N 3.14Å; F308-S311 PolarHBondContact O-OG 2.88Å; F308-T559 HydrophobicContact CD1-CG2 4.11Å; F308-T559 HydrophobicContact CE1-CG2 3.52Å; F308-T559 HydrophobicContact CZ-CG2 4.38Å; F308-I563 HydrophobicContact CE1-CD1 4.22Å; F308-I563 HydrophobicContact CZ-CD1 4.15Å; F308-L617 HydrophobicContact CE1-CD2 4.19Å; F308-L617 HydrophobicContact CE2-CD2 4.35Å; F308-L617 HydrophobicContact CZ-CD2 3.71Å; F308-F621 AromaticContact CD1-CE1 3.53Å; F308-F621 HydrophobicContact CD1-CE1 3.53Å; F308-F621 AromaticContact CD1-CE2 3.73Å; F308-F621 HydrophobicContact CD1-CE2 3.73Å; F308-F621 AromaticContact CD1-CZ 2.94Å; F308-F621 HydrophobicContact CD1-CZ 2.94Å; F308-F621 HydrophobicContact CE1-CD2 4.37Å; F308-F621 AromaticContact CE1-CE1 3.89Å; F308-F621 HydrophobicContact CE1-CE1 3.89Å; F308-F621 AromaticContact CE1-CE2 3.18Å; F308-F621 HydrophobicContact CE1-CE2 3.18Å; F308-F621 AromaticContact CE1-CZ 2.95Å; F308-F621 HydrophobicContact CE1-CZ 2.95Å; F308-F621 HydrophobicContact CG-CZ 4.03Å; F308-F621 HydrophobicContact CZ-CE2 4.07Å; F308-F621 HydrophobicContact CZ-CZ 4.07Å
309	E	57.2	Low	67.8	Low	113 Å²	113	51.1 Å²	51.1	53%	0.528	26%	0.257	S	S	.	.	H	α-helix	trans	-57.8	-29.7	-175.6	-71.5	-168.4	160.4	0	0	113	E307 S311 S312 I313	E307-E309 HydrophobicContact CG-CG 4.42Å; E307-E309 PolarHBondContact O-N 3.45Å; E309-S311 PolarHBondContact O-N 3.19Å; E309-S312 PolarHBondContact O-N 3.1Å; E309-S312 PolarHBondContact O-OG 3.17Å; E309-I313 PolarHBondContact O-N 2.82Å
310	S	58	Low	66.9	Low	7 Å²	7	55.4 Å²	55.4	5%	0.049	28%	0.28	C	S	.	.	H	α-helix	trans	-56.5	-32.5	172.5	57.5	0	0	0	0	111.6	F308 S312 I313 L314 Y556	F308-S310 PolarHBondContact O-N 3.41Å; F308-S310 VanDerWaalsContact O-N 3.12Å; S310-S312 PolarHBondContact O-N 2.84Å; S310-I313 PolarHBondContact O-N 2.85Å; S310-L314 WeakPolarHBondContact O-CB 3.07Å; S310-L314 PolarHBondContact O-N 3Å; S310-Y556 VanDerWaalsContact CB-OH 3.31Å; S310-Y556 WeakPolarHBondContact CB-OH 3.02Å; S310-Y556 WeakPolarHBondContact OG-CE1 3.45Å; S310-Y556 PolarHBondContact OG-OH 3.44Å
311	S	62.1	Low	65.7	Low	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.9	-39.8	175.7	70.8	0	0	0	0	112.5	F308 E309 L314 I315	F308-S311 WeakPolarHBondContact O-CA 3.46Å; F308-S311 WeakPolarHBondContact O-CB 3.47Å; F308-S311 PolarHBondContact O-N 3.14Å; F308-S311 PolarHBondContact O-OG 2.88Å; E309-S311 PolarHBondContact O-N 3.19Å; S311-L314 PolarHBondContact O-N 2.95Å; S311-I315 WeakPolarHBondContact O-CB 3.49Å; S311-I315 VanDerWaalsContact O-CD1 3.31Å; S311-I315 WeakPolarHBondContact O-CD1 3.07Å; S311-I315 WeakPolarHBondContact O-CG1 3.1Å; S311-I315 PolarHBondContact O-N 3.45Å
312	S	60.5	Low	64.3	Low	43 Å²	43	56.3 Å²	56.3	30%	0.301	28%	0.284	S	S	.	.	H	α-helix	trans	-68.9	-38.3	177.6	72.4	0	0	0	0	112.2	E309 S310 F316	E309-S312 PolarHBondContact O-N 3.1Å; E309-S312 PolarHBondContact O-OG 3.17Å; S310-S312 PolarHBondContact O-N 2.84Å; S312-F316 VanDerWaalsContact O-CB 3.24Å; S312-F316 WeakPolarHBondContact O-CB 3.35Å; S312-F316 PolarHBondContact O-N 2.71Å
313	I	63.1	Low	63	Low	57 Å²	57	54.7 Å²	54.7	29%	0.292	28%	0.275	S	S	.	.	H	α-helix	trans	-73.1	-35.3	176.2	-60.2	168.6	0	0	0	110	E309 S310 F316 L317 Y550	E309-I313 PolarHBondContact O-N 2.82Å; S310-I313 PolarHBondContact O-N 2.85Å; I313-F316 PolarHBondContact O-N 3.04Å; I313-L317 HydrophobicContact CG2-CD1 3.6Å; I313-L317 HydrophobicContact CG2-CG 4.05Å; I313-L317 VanDerWaalsContact O-CB 3.23Å; I313-L317 WeakPolarHBondContact O-CB 3.31Å; I313-L317 WeakPolarHBondContact O-CD1 3.28Å; I313-L317 WeakPolarHBondContact O-CG 3.48Å; I313-L317 PolarHBondContact O-N 3.43Å; I313-Y550 HydrophobicContact CB-CD1 4.39Å; I313-Y550 HydrophobicContact CB-CE1 4.09Å; I313-Y550 HydrophobicContact CD1-CE1 4.02Å; I313-Y550 HydrophobicContact CG2-CD1 3.8Å; I313-Y550 HydrophobicContact CG2-CE1 3.29Å; I313-Y550 HydrophobicContact CG2-CE2 4.13Å; I313-Y550 HydrophobicContact CG2-CG 4.37Å; I313-Y550 VanDerWaalsContact CG2-CZ 3.46Å
314	L	64.8	Low	61.9	Low	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-67.5	-44.3	175.4	-149.1	98.4	0	0	0	110.8	T234 S238 S310 S311 F316 L317 I318 L551	T234-L314 HydrophobicContact CG2-CD2 3.32Å; S238-L314 WeakPolarHBondContact OG-CD2 3.48Å; S310-L314 WeakPolarHBondContact O-CB 3.07Å; S310-L314 PolarHBondContact O-N 3Å; S311-L314 PolarHBondContact O-N 2.95Å; L314-F316 VanDerWaalsContact C-N 3.33Å; L314-F316 PolarHBondContact O-N 3.33Å; L314-L317 PolarHBondContact O-N 3.22Å; L314-I318 HydrophobicContact CD2-CD1 3.55Å; L314-I318 HydrophobicContact CG-CD1 3.74Å; L314-I318 HydrophobicContact CG-CG1 4.46Å; L314-I318 VanDerWaalsContact O-CB 3.27Å; L314-I318 WeakPolarHBondContact O-CB 3.02Å; L314-I318 WeakPolarHBondContact O-CD1 3.24Å; L314-I318 WeakPolarHBondContact O-CG1 3.33Å; L314-I318 PolarHBondContact O-N 2.88Å; L314-L551 HydrophobicContact CD1-CD2 3.7Å; L314-L551 HydrophobicContact CD1-CG 4.08Å; L314-L551 HydrophobicContact CD2-CD2 4.28Å
315	I	65.9	Low	60.8	Low	22 Å²	22	51.9 Å²	51.9	11%	0.113	27%	0.266	C	S	.	.	H	α-helix	trans	-59.8	-45.9	171.5	-67.6	160.2	0	0	0	109.6	E239 Y242 S311 I318 N319	E239-I315 HydrophobicContact CG-CD1 4.18Å; E239-I315 HydrophobicContact CG-CG1 4.14Å; Y242-I315 HydrophobicContact CD1-CD1 4.28Å; Y242-I315 HydrophobicContact CG-CD1 3.92Å; S311-I315 WeakPolarHBondContact O-CB 3.49Å; S311-I315 VanDerWaalsContact O-CD1 3.31Å; S311-I315 WeakPolarHBondContact O-CD1 3.07Å; S311-I315 WeakPolarHBondContact O-CG1 3.1Å; S311-I315 PolarHBondContact O-N 3.45Å; I315-I318 PolarHBondContact O-N 3.48Å; I315-N319 VanDerWaalsContact CG2-ND2 3.27Å; I315-N319 WeakPolarHBondContact CG2-ND2 3.41Å; I315-N319 WeakPolarHBondContact O-CB 3.45Å; I315-N319 PolarHBondContact O-N 2.81Å; I315-N319 PolarHBondContact O-ND2 2.96Å
316	F	64.6	Low	59.9	Low	126 Å²	126	51.9 Å²	51.9	55%	0.553	27%	0.267	S	S	*	.	H	α-helix	trans	-65.2	-40.8	179.2	179.3	-106.2	0	0	0	112.2	S312 I313 L314 N320	S312-F316 VanDerWaalsContact O-CB 3.24Å; S312-F316 WeakPolarHBondContact O-CB 3.35Å; S312-F316 PolarHBondContact O-N 2.71Å; I313-F316 PolarHBondContact O-N 3.04Å; L314-F316 VanDerWaalsContact C-N 3.33Å; L314-F316 PolarHBondContact O-N 3.33Å; F316-N320 WeakPolarHBondContact CD1-ND2 3.22Å; F316-N320 WeakPolarHBondContact CE1-ND2 3.37Å; F316-N320 WeakPolarHBondContact CE2-ND2 3.46Å; F316-N320 WeakPolarHBondContact CZ-ND2 3.17Å; F316-N320 WeakPolarHBondContact O-CA 3.32Å; F316-N320 WeakPolarHBondContact O-CB 3.5Å; F316-N320 VanDerWaalsContact O-CG 3.23Å; F316-N320 PolarHBondContact O-N 3.04Å
317	L	62.4	Low	59.3	Low	31 Å²	31	55.7 Å²	55.7	16%	0.162	29%	0.287	C	S	.	.	H	α-helix	trans	-70.5	-36.1	177.4	-73.8	167.2	0	0	0	111.3	I313 L314 L321 Y550	I313-L317 HydrophobicContact CG2-CD1 3.6Å; I313-L317 HydrophobicContact CG2-CG 4.05Å; I313-L317 VanDerWaalsContact O-CB 3.23Å; I313-L317 WeakPolarHBondContact O-CB 3.31Å; I313-L317 WeakPolarHBondContact O-CD1 3.28Å; I313-L317 WeakPolarHBondContact O-CG 3.48Å; I313-L317 PolarHBondContact O-N 3.43Å; L314-L317 PolarHBondContact O-N 3.22Å; L317-L321 VanDerWaalsContact O-CB 3.24Å; L317-L321 WeakPolarHBondContact O-CB 3.42Å; L317-L321 WeakPolarHBondContact O-CD1 3.49Å; L317-L321 WeakPolarHBondContact O-CG 3.35Å; L317-L321 PolarHBondContact O-N 2.74Å; L317-Y550 HydrophobicContact CD1-CD1 4.43Å; L317-Y550 HydrophobicContact CD1-CD2 3.11Å; L317-Y550 HydrophobicContact CD1-CE1 4.5Å; L317-Y550 HydrophobicContact CD1-CE2 3.23Å; L317-Y550 HydrophobicContact CD1-CG 3.78Å
318	I	63.2	Low	58.9	Low	16 Å²	16	51.7 Å²	51.7	8%	0.082	27%	0.268	C	S	.	.	H	α-helix	trans	-79.3	-26	177.3	-58.3	164.6	0	0	0	112.1	I231 V235 L314 I315 L321 L547	I231-I318 HydrophobicContact CG2-CG2 4.03Å; V235-I318 HydrophobicContact CG2-CB 3.92Å; V235-I318 HydrophobicContact CG2-CD1 3.65Å; V235-I318 HydrophobicContact CG2-CG1 4.31Å; V235-I318 HydrophobicContact CG2-CG2 3.2Å; L314-I318 HydrophobicContact CD2-CD1 3.55Å; L314-I318 HydrophobicContact CG-CD1 3.74Å; L314-I318 HydrophobicContact CG-CG1 4.46Å; L314-I318 VanDerWaalsContact O-CB 3.27Å; L314-I318 WeakPolarHBondContact O-CB 3.02Å; L314-I318 WeakPolarHBondContact O-CD1 3.24Å; L314-I318 WeakPolarHBondContact O-CG1 3.33Å; L314-I318 PolarHBondContact O-N 2.88Å; I315-I318 PolarHBondContact O-N 3.48Å; I318-L321 HydrophobicContact CG1-CD1 4.4Å; I318-L321 WeakPolarHBondContact O-CB 3.21Å; I318-L547 HydrophobicContact CD1-CD1 4.38Å; I318-L547 HydrophobicContact CG1-CD1 3.81Å
319	N	63.8	Low	58.6	Low	91 Å²	91	53 Å²	53	49%	0.487	28%	0.276	S	S	.	.	H	α-helix	trans	-84.1	-33.5	172.6	-70.2	-10.3	0	0	0	111.9	I315 L321	I315-N319 VanDerWaalsContact CG2-ND2 3.27Å; I315-N319 WeakPolarHBondContact CG2-ND2 3.41Å; I315-N319 WeakPolarHBondContact O-CB 3.45Å; I315-N319 PolarHBondContact O-N 2.81Å; I315-N319 PolarHBondContact O-ND2 2.96Å; N319-L321 VanDerWaalsContact C-N 3.25Å
320	N	59.6	Low	59	Low	97 Å²	97	51.1 Å²	51.1	52%	0.519	27%	0.27	S	S	.	.	H	α-helix	trans	-77	-16.2	169.5	-77.7	-11.1	0	0	0	112.8	F316 N322	F316-N320 WeakPolarHBondContact CD1-ND2 3.22Å; F316-N320 WeakPolarHBondContact CE1-ND2 3.37Å; F316-N320 WeakPolarHBondContact CE2-ND2 3.46Å; F316-N320 WeakPolarHBondContact CZ-ND2 3.17Å; F316-N320 WeakPolarHBondContact O-CA 3.32Å; F316-N320 WeakPolarHBondContact O-CB 3.5Å; F316-N320 VanDerWaalsContact O-CG 3.23Å; F316-N320 PolarHBondContact O-N 3.04Å; N320-N322 PolarHBondContact O-N 3.38Å
321	L	56.3	Low	59.2	Low	19 Å²	19	54 Å²	54	10%	0.099	28%	0.283	C	S	.	.			trans	-62.8	68.5	149.1	-83.8	167	0	0	0	108	L317 I318 N319 I323 I543 L547	L317-L321 VanDerWaalsContact O-CB 3.24Å; L317-L321 WeakPolarHBondContact O-CB 3.42Å; L317-L321 WeakPolarHBondContact O-CD1 3.49Å; L317-L321 WeakPolarHBondContact O-CG 3.35Å; L317-L321 PolarHBondContact O-N 2.74Å; I318-L321 HydrophobicContact CG1-CD1 4.4Å; I318-L321 WeakPolarHBondContact O-CB 3.21Å; N319-L321 VanDerWaalsContact C-N 3.25Å; L321-I323 HydrophobicContact CD2-CB 4.13Å; L321-I323 HydrophobicContact CD2-CD1 4.1Å; L321-I323 HydrophobicContact CD2-CG1 4.2Å; L321-I323 CarbonylContact O-C 3.59Å; L321-I323 PolarHBondContact O-N 3.34Å; L321-I543 HydrophobicContact CD1-CG2 3.89Å; L321-I543 HydrophobicContact CD2-CB 4.05Å; L321-I543 HydrophobicContact CD2-CD1 3.77Å; L321-I543 HydrophobicContact CD2-CG1 3.96Å; L321-I543 HydrophobicContact CD2-CG2 3.05Å; L321-I543 HydrophobicContact CG-CG2 3.83Å; L321-L547 HydrophobicContact CD1-CD1 4.24Å
322	N	47.5	Very low	59.3	Low	149 Å²	149	54.6 Å²	54.6	80%	0.797	29%	0.286	S	S	*	.			trans	-66.8	7.4	162.7	-154.8	33	0	0	0	110.9	N320 N324	N320-N322 PolarHBondContact O-N 3.38Å; N322-N324 VanDerWaalsContact C-N 3.29Å; N322-N324 PolarHBondContact O-N 3.36Å
323	I	52.8	Low	59.5	Low	39 Å²	39	56.2 Å²	56.2	20%	0.2	29%	0.291	C	S	.	.	S	Bend	trans	-75.7	91.4	155.9	-50.9	-177.6	0	0	0	105.1	L321 L325 I328 I543	L321-I323 HydrophobicContact CD2-CB 4.13Å; L321-I323 HydrophobicContact CD2-CD1 4.1Å; L321-I323 HydrophobicContact CD2-CG1 4.2Å; L321-I323 CarbonylContact O-C 3.59Å; L321-I323 PolarHBondContact O-N 3.34Å; I323-L325 PolarHBondContact O-N 3.31Å; I323-I328 HydrophobicContact CG2-CD1 3.72Å; I323-I328 HydrophobicContact CG2-CG1 4.07Å; I323-I543 HydrophobicContact CD1-CD1 3.33Å; I323-I543 HydrophobicContact CG1-CD1 4.24Å
324	N	54	Low	59.7	Low	77 Å²	77	58.5 Å²	58.5	41%	0.412	30%	0.303	S	S	.	.			trans	-46.9	110.1	157.7	-177.9	5.8	0	0	0	105.3	N322 N326 L327	N322-N324 VanDerWaalsContact C-N 3.29Å; N322-N324 PolarHBondContact O-N 3.36Å; N324-N326 PolarHBondContact O-N 2.88Å; N324-N326 VanDerWaalsContact O-N 3.07Å; N324-N326 WeakPolarHBondContact OD1-CB 3.33Å; N324-N326 PolarHBondContact OD1-N 3.36Å; N324-N326 VanDerWaalsContact OD1-N 3.15Å; N324-N326 PolarHBondContact OD1-ND2 3.5Å; N324-L327 HydrophobicContact CB-CB 4.46Å; N324-L327 HydrophobicContact CB-CD1 3.78Å; N324-L327 HydrophobicContact CB-CG 3.9Å; N324-L327 WeakPolarHBondContact O-CA 3.46Å; N324-L327 WeakPolarHBondContact O-CB 3.3Å; N324-L327 PolarHBondContact O-N 3.19Å
325	L	51.6	Low	59.5	Low	25 Å²	25	59.1 Å²	59.1	13%	0.131	31%	0.306	C	S	.	.	H	α-helix	trans	-60.5	-20.1	177.9	-75.4	145.5	0	0	0	110.1	I231 I323 L327 I328 T329	I231-L325 HydrophobicContact CB-CD1 3.76Å; I231-L325 HydrophobicContact CD1-CD1 3.34Å; I231-L325 HydrophobicContact CD1-CD2 3.69Å; I231-L325 HydrophobicContact CD1-CG 4.16Å; I231-L325 HydrophobicContact CG1-CD1 4.13Å; I231-L325 HydrophobicContact CG2-CD1 3.37Å; I323-L325 PolarHBondContact O-N 3.31Å; L325-L327 VanDerWaalsContact C-N 3.25Å; L325-L327 PolarHBondContact O-N 3.31Å; L325-I328 HydrophobicContact CD2-CD1 4.09Å; L325-I328 WeakPolarHBondContact O-CB 3.45Å; L325-I328 PolarHBondContact O-N 2.53Å; L325-T329 PolarHBondContact O-N 2.78Å
326	N	55.3	Low	59.4	Low	71 Å²	71	62 Å²	62	38%	0.38	32%	0.319	S	S	.	.	H	α-helix	trans	-61.3	-32.2	166.3	-48.4	-20.8	0	0	0	111.6	N324 I328 T329 D330	N324-N326 PolarHBondContact O-N 2.88Å; N324-N326 VanDerWaalsContact O-N 3.07Å; N324-N326 WeakPolarHBondContact OD1-CB 3.33Å; N324-N326 PolarHBondContact OD1-N 3.36Å; N324-N326 VanDerWaalsContact OD1-N 3.15Å; N324-N326 PolarHBondContact OD1-ND2 3.5Å; N326-I328 VanDerWaalsContact C-N 3.25Å; N326-I328 PolarHBondContact O-N 3.03Å; N326-T329 VanDerWaalsContact CA-OG1 3.24Å; N326-T329 WeakPolarHBondContact CA-OG1 3.41Å; N326-T329 CarbonylContact O-C 3.55Å; N326-T329 PolarHBondContact O-N 2.76Å; N326-T329 PolarHBondContact O-OG1 3.38Å; N326-D330 WeakPolarHBondContact O-CA 3.26Å; N326-D330 WeakPolarHBondContact O-CB 3.32Å; N326-D330 PolarHBondContact O-N 3.01Å; N326-D330 VanDerWaalsContact O-OD1 3.14Å
327	L	57.4	Low	59.7	Low	82 Å²	82	60.1 Å²	60.1	43%	0.429	32%	0.315	S	S	.	.	H	α-helix	trans	-59.9	-34.8	170	-73.6	158	0	0	0	112.3	N324 L325 Q331	N324-L327 HydrophobicContact CB-CB 4.46Å; N324-L327 HydrophobicContact CB-CD1 3.78Å; N324-L327 HydrophobicContact CB-CG 3.9Å; N324-L327 WeakPolarHBondContact O-CA 3.46Å; N324-L327 WeakPolarHBondContact O-CB 3.3Å; N324-L327 PolarHBondContact O-N 3.19Å; L325-L327 VanDerWaalsContact C-N 3.25Å; L325-L327 PolarHBondContact O-N 3.31Å; L327-Q331 WeakPolarHBondContact O-CB 3.04Å; L327-Q331 WeakPolarHBondContact O-CG 3.39Å; L327-Q331 PolarHBondContact O-N 2.99Å
328	I	54	Low	59.9	Low	19 Å²	19	62.6 Å²	62.6	10%	0.097	33%	0.328	C	S	.	.	H	α-helix	trans	-72.5	-44	177.1	-69.5	165.9	0	0	0	109.7	I323 L325 N326 Q331 F332 L540	I323-I328 HydrophobicContact CG2-CD1 3.72Å; I323-I328 HydrophobicContact CG2-CG1 4.07Å; L325-I328 HydrophobicContact CD2-CD1 4.09Å; L325-I328 WeakPolarHBondContact O-CB 3.45Å; L325-I328 PolarHBondContact O-N 2.53Å; N326-I328 VanDerWaalsContact C-N 3.25Å; N326-I328 PolarHBondContact O-N 3.03Å; I328-Q331 WeakPolarHBondContact O-CB 3.29Å; I328-Q331 PolarHBondContact O-N 3.41Å; I328-F332 HydrophobicContact CG2-CD2 3.87Å; I328-F332 HydrophobicContact CG2-CE2 3.49Å; I328-F332 VanDerWaalsContact CG2-CE2 3.49Å; I328-F332 WeakPolarHBondContact O-CD2 3.24Å; I328-F332 PolarHBondContact O-N 3.41Å; I328-L540 HydrophobicContact CD1-CD1 3.56Å; I328-L540 HydrophobicContact CD1-CD2 4.49Å
329	T	57.7	Low	59.9	Low	28 Å²	28	63.4 Å²	63.4	17%	0.172	33%	0.332	C	S	.	.	H	α-helix	trans	-67	-39.3	174.6	56.3	0	0	0	0	112	L325 N326 Q331 F332 D333	L325-T329 PolarHBondContact O-N 2.78Å; N326-T329 VanDerWaalsContact CA-OG1 3.24Å; N326-T329 WeakPolarHBondContact CA-OG1 3.41Å; N326-T329 CarbonylContact O-C 3.55Å; N326-T329 PolarHBondContact O-N 2.76Å; N326-T329 PolarHBondContact O-OG1 3.38Å; T329-Q331 VanDerWaalsContact C-N 3.3Å; T329-Q331 PolarHBondContact O-N 3.28Å; T329-F332 CarbonylContact O-C 3.58Å; T329-F332 WeakPolarHBondContact O-CA 3.2Å; T329-F332 WeakPolarHBondContact O-CB 3.45Å; T329-F332 PolarHBondContact O-N 2.83Å; T329-F332 VanDerWaalsContact O-N 3.07Å; T329-D333 PolarHBondContact O-N 3.32Å
330	D	64.7	Low	60.1	Low	75 Å²	75	61.7 Å²	61.7	40%	0.401	32%	0.323	S	S	.	.	H	α-helix	trans	-63.1	-38.5	175.6	-66.4	-16.4	0	0	0	109.8	N326 D333 L334	N326-D330 WeakPolarHBondContact O-CA 3.26Å; N326-D330 WeakPolarHBondContact O-CB 3.32Å; N326-D330 PolarHBondContact O-N 3.01Å; N326-D330 VanDerWaalsContact O-OD1 3.14Å; D330-D333 PolarHBondContact O-N 3.38Å; D330-L334 WeakPolarHBondContact O-CB 3.37Å; D330-L334 VanDerWaalsContact O-CG 3.23Å; D330-L334 WeakPolarHBondContact O-CG 3.27Å; D330-L334 PolarHBondContact O-N 3.44Å
331	Q	62.9	Low	60.6	Low	67 Å²	67	62 Å²	62	31%	0.313	32%	0.324	S	S	.	.	H	α-helix	trans	-63.2	-45	171.8	-81.7	169.2	-16.4	0	0	110.8	L327 I328 T329 L334 I335	L327-Q331 WeakPolarHBondContact O-CB 3.04Å; L327-Q331 WeakPolarHBondContact O-CG 3.39Å; L327-Q331 PolarHBondContact O-N 2.99Å; I328-Q331 WeakPolarHBondContact O-CB 3.29Å; I328-Q331 PolarHBondContact O-N 3.41Å; T329-Q331 VanDerWaalsContact C-N 3.3Å; T329-Q331 PolarHBondContact O-N 3.28Å; Q331-L334 WeakPolarHBondContact O-CB 3.49Å; Q331-L334 PolarHBondContact O-N 3.41Å; Q331-I335 WeakPolarHBondContact O-CG1 3.26Å; Q331-I335 PolarHBondContact O-N 2.95Å
332	F	62.5	Low	61	Low	13 Å²	13	64.5 Å²	64.5	6%	0.057	34%	0.335	C	S	.	.	H	α-helix	trans	-62.4	-39.9	174	-74.1	-60.7	0	0	0	112.9	V220 I221 A224 I328 T329 L334 I335 Q336 L641	V220-F332 HydrophobicContact CB-CE1 4.47Å; V220-F332 HydrophobicContact CG1-CE1 3.51Å; V220-F332 HydrophobicContact CG1-CE2 4.24Å; V220-F332 HydrophobicContact CG1-CZ 3.29Å; I221-F332 HydrophobicContact CG1-CD1 4.1Å; I221-F332 HydrophobicContact CG1-CG 4.46Å; A224-F332 HydrophobicContact CB-CD2 3.62Å; A224-F332 HydrophobicContact CB-CE2 3.56Å; I328-F332 HydrophobicContact CG2-CD2 3.87Å; I328-F332 HydrophobicContact CG2-CE2 3.49Å; I328-F332 VanDerWaalsContact CG2-CE2 3.49Å; I328-F332 WeakPolarHBondContact O-CD2 3.24Å; I328-F332 PolarHBondContact O-N 3.41Å; T329-F332 CarbonylContact O-C 3.58Å; T329-F332 WeakPolarHBondContact O-CA 3.2Å; T329-F332 WeakPolarHBondContact O-CB 3.45Å; T329-F332 PolarHBondContact O-N 2.83Å; T329-F332 VanDerWaalsContact O-N 3.07Å; F332-L334 VanDerWaalsContact C-N 3.31Å; F332-L334 PolarHBondContact O-N 2.99Å; F332-I335 HydrophobicContact CD1-CD1 4.08Å; F332-I335 HydrophobicContact CE1-CD1 4.35Å; F332-I335 WeakPolarHBondContact O-CB 3.35Å; F332-I335 PolarHBondContact O-N 3.21Å; F332-I335 VanDerWaalsContact O-N 3.15Å; F332-Q336 WeakPolarHBondContact O-CB 3.3Å; F332-Q336 PolarHBondContact O-N 2.87Å; F332-L641 HydrophobicContact CE1-CD2 4.21Å; F332-L641 HydrophobicContact CZ-CD2 4.11Å
333	D	65	Low	61.7	Low	77 Å²	77	60 Å²	60	41%	0.412	31%	0.308	S	S	.	.	H	α-helix	trans	-63.5	-38.4	173.5	-72.3	-14.7	0	0	0	111	T329 D330 Q336 N337	T329-D333 PolarHBondContact O-N 3.32Å; D330-D333 PolarHBondContact O-N 3.38Å; D333-Q336 PolarHBondContact O-N 3.43Å; D333-N337 VanDerWaalsContact O-CB 3.24Å; D333-N337 WeakPolarHBondContact O-CB 3.28Å; D333-N337 PolarHBondContact O-N 3Å; D333-N337 PolarHBondContact O-ND2 3.5Å
334	L	67.2	Low	62.2	Low	105 Å²	105	62 Å²	62	55%	0.55	32%	0.319	S	S	.	.	H	α-helix	trans	-63.5	-43.3	171.6	-74.9	168.3	0	0	0	111.2	D330 Q331 F332 Q336 N337 L338	D330-L334 WeakPolarHBondContact O-CB 3.37Å; D330-L334 VanDerWaalsContact O-CG 3.23Å; D330-L334 WeakPolarHBondContact O-CG 3.27Å; D330-L334 PolarHBondContact O-N 3.44Å; Q331-L334 WeakPolarHBondContact O-CB 3.49Å; Q331-L334 PolarHBondContact O-N 3.41Å; F332-L334 VanDerWaalsContact C-N 3.31Å; F332-L334 PolarHBondContact O-N 2.99Å; L334-Q336 VanDerWaalsContact C-N 3.33Å; L334-Q336 PolarHBondContact O-N 3.31Å; L334-N337 PolarHBondContact O-N 3.21Å; L334-L338 VanDerWaalsContact O-CB 3.3Å; L334-L338 WeakPolarHBondContact O-CB 3.33Å; L334-L338 WeakPolarHBondContact O-CG 3.4Å; L334-L338 PolarHBondContact O-N 3.43Å
335	I	61.5	Low	62.8	Low	13 Å²	13	61.6 Å²	61.6	7%	0.067	32%	0.315	C	S	.	.	H	α-helix	trans	-58.6	-48.4	174.2	-47.1	-157.9	0	0	0	109.7	L217 Q331 F332 N337 L338 L339 I532	L217-I335 HydrophobicContact CD1-CG2 4.17Å; Q331-I335 WeakPolarHBondContact O-CG1 3.26Å; Q331-I335 PolarHBondContact O-N 2.95Å; F332-I335 HydrophobicContact CD1-CD1 4.08Å; F332-I335 HydrophobicContact CE1-CD1 4.35Å; F332-I335 WeakPolarHBondContact O-CB 3.35Å; F332-I335 PolarHBondContact O-N 3.21Å; F332-I335 VanDerWaalsContact O-N 3.15Å; I335-N337 PolarHBondContact O-N 3.24Å; I335-L338 PolarHBondContact O-N 3.16Å; I335-L339 HydrophobicContact CG2-CD1 3.86Å; I335-L339 HydrophobicContact CG2-CG 4.34Å; I335-L339 WeakPolarHBondContact O-CB 3.01Å; I335-L339 VanDerWaalsContact O-CG 3.29Å; I335-L339 WeakPolarHBondContact O-CG 3.5Å; I335-L339 PolarHBondContact O-N 3.28Å; I335-I532 HydrophobicContact CB-CG2 4.15Å; I335-I532 HydrophobicContact CD1-CG2 3.39Å; I335-I532 HydrophobicContact CG1-CG2 3.3Å; I335-I532 HydrophobicContact CG2-CG2 4.26Å
336	Q	63.4	Low	63.3	Low	82 Å²	82	61.2 Å²	61.2	38%	0.383	31%	0.313	S	S	.	.	H	α-helix	trans	-64	-43	-177.7	-170.2	169.4	16.6	0	0	111.4	F332 D333 L334 L339 N340	F332-Q336 WeakPolarHBondContact O-CB 3.3Å; F332-Q336 PolarHBondContact O-N 2.87Å; D333-Q336 PolarHBondContact O-N 3.43Å; L334-Q336 VanDerWaalsContact C-N 3.33Å; L334-Q336 PolarHBondContact O-N 3.31Å; Q336-L339 PolarHBondContact O-N 2.87Å; Q336-N340 WeakPolarHBondContact O-CB 3.29Å; Q336-N340 PolarHBondContact O-N 3.45Å; Q336-N340 PolarHBondContact O-ND2 2.87Å
337	N	70.2	Confident	63.5	Low	86 Å²	86	58.4 Å²	58.4	46%	0.46	30%	0.298	S	S	.	.	H	α-helix	trans	-66.5	-39.2	176.1	-73.8	-34.9	0	0	0	112.3	D333 L334 I335 N340 N341	D333-N337 VanDerWaalsContact O-CB 3.24Å; D333-N337 WeakPolarHBondContact O-CB 3.28Å; D333-N337 PolarHBondContact O-N 3Å; D333-N337 PolarHBondContact O-ND2 3.5Å; L334-N337 PolarHBondContact O-N 3.21Å; I335-N337 PolarHBondContact O-N 3.24Å; N337-N340 PolarHBondContact O-N 2.96Å; N337-N341 WeakPolarHBondContact O-CB 3.47Å; N337-N341 PolarHBondContact O-N 3.03Å; N337-N341 PolarHBondContact O-ND2 3Å
338	L	67.5	Low	63.9	Low	83 Å²	83	60 Å²	60	44%	0.435	30%	0.303	S	S	.	.	H	α-helix	trans	-64.7	-43	174.9	-75	170.9	0	0	0	111.5	L334 I335 N341 K342 I532	L334-L338 VanDerWaalsContact O-CB 3.3Å; L334-L338 WeakPolarHBondContact O-CB 3.33Å; L334-L338 WeakPolarHBondContact O-CG 3.4Å; L334-L338 PolarHBondContact O-N 3.43Å; I335-L338 PolarHBondContact O-N 3.16Å; L338-N341 PolarHBondContact O-N 3.4Å; L338-K342 WeakPolarHBondContact O-CB 3.32Å; L338-K342 WeakPolarHBondContact O-CG 3.33Å; L338-K342 PolarHBondContact O-N 2.99Å; L338-I532 HydrophobicContact CD1-CD1 3.93Å; L338-I532 HydrophobicContact CD1-CG1 4.21Å
339	L	64	Low	64.5	Low	34 Å²	34	60.6 Å²	60.6	18%	0.178	31%	0.307	C	S	.	.	H	α-helix	trans	-64.3	-39.7	174.5	-71.7	171.9	0	0	0	111.5	L212 L217 I335 Q336 K342 K343	L212-L339 HydrophobicContact CD2-CD1 3.46Å; L212-L339 VanDerWaalsContact CD2-CD1 3.46Å; L212-L339 HydrophobicContact CG-CD1 4.43Å; L217-L339 HydrophobicContact CD1-CD1 4.33Å; I335-L339 HydrophobicContact CG2-CD1 3.86Å; I335-L339 HydrophobicContact CG2-CG 4.34Å; I335-L339 WeakPolarHBondContact O-CB 3.01Å; I335-L339 VanDerWaalsContact O-CG 3.29Å; I335-L339 WeakPolarHBondContact O-CG 3.5Å; I335-L339 PolarHBondContact O-N 3.28Å; Q336-L339 PolarHBondContact O-N 2.87Å; L339-K342 PolarHBondContact O-N 3.31Å; L339-K343 WeakPolarHBondContact O-CB 3.48Å; L339-K343 PolarHBondContact O-N 3.05Å
340	N	66.4	Low	64.6	Low	55 Å²	55	59.6 Å²	59.6	29%	0.294	30%	0.3	S	S	.	.	H	α-helix	trans	-65.9	-43.3	175.1	-75.5	-25.2	0	0	0	112.6	Q336 N337 K342 K343 D344	Q336-N340 WeakPolarHBondContact O-CB 3.29Å; Q336-N340 PolarHBondContact O-N 3.45Å; Q336-N340 PolarHBondContact O-ND2 2.87Å; N337-N340 PolarHBondContact O-N 2.96Å; N340-K342 VanDerWaalsContact C-N 3.32Å; N340-K342 PolarHBondContact O-N 3.14Å; N340-K343 WeakPolarHBondContact O-CB 3.18Å; N340-K343 PolarHBondContact O-N 3.47Å; N340-D344 PolarHBondContact O-N 3.47Å; N340-D344 VanDerWaalsContact O-N 3.1Å
341	N	70	Confident	64.5	Low	102 Å²	102	59.4 Å²	59.4	55%	0.545	30%	0.296	S	S	.	.	H	α-helix	trans	-64.8	-39.3	176.8	-72.5	-20	0	0	0	111.3	N337 L338 D344 E345	N337-N341 WeakPolarHBondContact O-CB 3.47Å; N337-N341 PolarHBondContact O-N 3.03Å; N337-N341 PolarHBondContact O-ND2 3Å; L338-N341 PolarHBondContact O-N 3.4Å; N341-D344 PolarHBondContact O-N 3.28Å; N341-E345 PolarHBondContact O-N 2.02Å; N341-E345 VanDerWaalsContact O-N 3.14Å
342	K	65.5	Low	64.6	Low	73 Å²	73	60.1 Å²	60.1	32%	0.317	31%	0.309	S	S	.	.	H	α-helix	trans	-74.6	-29.6	176.7	-73.9	-66.1	-169.4	-178.3	0	112.9	L338 L339 N340 D344 E345 V346 M527	L338-K342 WeakPolarHBondContact O-CB 3.32Å; L338-K342 WeakPolarHBondContact O-CG 3.33Å; L338-K342 PolarHBondContact O-N 2.99Å; L339-K342 PolarHBondContact O-N 3.31Å; N340-K342 VanDerWaalsContact C-N 3.32Å; N340-K342 PolarHBondContact O-N 3.14Å; K342-D344 VanDerWaalsContact C-N 3.28Å; K342-D344 PolarHBondContact O-N 3.21Å; K342-E345 WeakPolarHBondContact CD-OE2 3.47Å; K342-E345 IonicContact NZ-OE2 3.66Å; K342-E345 PolarHBondContact NZ-OE2 3.27Å; K342-E345 PolarHBondContact O-N 3.39Å; K342-V346 WeakPolarHBondContact O-CB 3.31Å; K342-V346 VanDerWaalsContact O-CG2 3.27Å; K342-V346 WeakPolarHBondContact O-CG2 3.26Å; K342-V346 PolarHBondContact O-N 3.03Å; K342-M527 HydrophobicContact CB-CE 3.51Å; K342-M527 HydrophobicContact CD-CE 3.59Å; K342-M527 HydrophobicContact CG-CE 3.34Å; K342-M527 HydrophobicContact CG-SD 4.19Å
343	K	62.1	Low	64.4	Low	53 Å²	53	62 Å²	62	23%	0.23	32%	0.323	C	S	.	.	H	α-helix	trans	-51.4	-51.9	163.9	147.1	-176.6	133.7	168.9	0	109.9	I208 L339 N340 E345 V346 I347	I208-K343 HydrophobicContact CD1-CB 3.3Å; I208-K343 HydrophobicContact CD1-CD 3.05Å; I208-K343 HydrophobicContact CD1-CG 3.25Å; I208-K343 HydrophobicContact CG1-CB 3.97Å; I208-K343 HydrophobicContact CG1-CD 4.42Å; I208-K343 HydrophobicContact CG1-CG 4.38Å; L339-K343 WeakPolarHBondContact O-CB 3.48Å; L339-K343 PolarHBondContact O-N 3.05Å; N340-K343 WeakPolarHBondContact O-CB 3.18Å; N340-K343 PolarHBondContact O-N 3.47Å; K343-E345 VanDerWaalsContact C-N 3.28Å; K343-E345 PolarHBondContact O-N 3.34Å; K343-V346 PolarHBondContact O-N 3.02Å; K343-I347 HydrophobicContact CD-CD1 4.23Å; K343-I347 HydrophobicContact CG-CD1 3.55Å; K343-I347 HydrophobicContact CG-CG1 4.36Å; K343-I347 WeakPolarHBondContact O-CB 3.3Å; K343-I347 WeakPolarHBondContact O-CG1 3.43Å; K343-I347 PolarHBondContact O-N 2.85Å
344	D	63.2	Low	64.1	Low	82 Å²	82	59.9 Å²	59.9	44%	0.439	31%	0.31	S	S	.	.	H	α-helix	trans	-64.6	-39	-176.4	-68.2	-20.1	0	0	0	110.4	N340 N341 K342 I347 Q348	N340-D344 PolarHBondContact O-N 3.47Å; N340-D344 VanDerWaalsContact O-N 3.1Å; N341-D344 PolarHBondContact O-N 3.28Å; K342-D344 VanDerWaalsContact C-N 3.28Å; K342-D344 PolarHBondContact O-N 3.21Å; D344-I347 PolarHBondContact O-N 3.09Å; D344-Q348 WeakPolarHBondContact O-CB 3.18Å; D344-Q348 WeakPolarHBondContact O-CG 3.34Å; D344-Q348 PolarHBondContact O-N 3.3Å
345	E	66.3	Low	63.7	Low	68 Å²	68	58.4 Å²	58.4	32%	0.318	30%	0.303	S	S	.	.	H	α-helix	trans	-64.8	-44	174.6	-161.2	-168.1	148.1	0	0	112.7	N341 K342 K343 Q348 N349 K523	N341-E345 PolarHBondContact O-N 2.02Å; N341-E345 VanDerWaalsContact O-N 3.14Å; K342-E345 WeakPolarHBondContact CD-OE2 3.47Å; K342-E345 IonicContact NZ-OE2 3.66Å; K342-E345 PolarHBondContact NZ-OE2 3.27Å; K342-E345 PolarHBondContact O-N 3.39Å; K343-E345 VanDerWaalsContact C-N 3.28Å; K343-E345 PolarHBondContact O-N 3.34Å; E345-Q348 PolarHBondContact O-N 3.43Å; E345-N349 PolarHBondContact O-N 3.1Å; E345-N349 PolarHBondContact O-ND2 3.01Å; E345-K523 IonicContact OE1-NZ 3.95Å; E345-K523 PolarHBondContact OE1-NZ 3.5Å
346	V	61.9	Low	63.5	Low	17 Å²	17	58.8 Å²	58.8	10%	0.103	31%	0.305	C	S	.	.	H	α-helix	trans	-64.7	-42.3	176.9	171.1	0	0	0	0	110.3	K342 K343 Q348 N349 M350	K342-V346 WeakPolarHBondContact O-CB 3.31Å; K342-V346 VanDerWaalsContact O-CG2 3.27Å; K342-V346 WeakPolarHBondContact O-CG2 3.26Å; K342-V346 PolarHBondContact O-N 3.03Å; K343-V346 PolarHBondContact O-N 3.02Å; V346-Q348 VanDerWaalsContact C-N 3.33Å; V346-Q348 PolarHBondContact O-N 3.47Å; V346-N349 PolarHBondContact O-N 3.24Å; V346-M350 HydrophobicContact CG1-CE 3.74Å; V346-M350 HydrophobicContact CG1-CG 4.39Å; V346-M350 WeakPolarHBondContact O-CB 3.11Å; V346-M350 WeakPolarHBondContact O-CG 3.19Å; V346-M350 PolarHBondContact O-N 2.88Å
347	I	61	Low	63.4	Low	13 Å²	13	58.3 Å²	58.3	7%	0.067	31%	0.305	C	S	.	.	H	α-helix	trans	-56.9	-48	172.4	-72.6	168	0	0	0	109.9	A204 K343 D344 N349 M350 K351	A204-I347 HydrophobicContact CB-CD1 3.58Å; A204-I347 HydrophobicContact CB-CG1 3.26Å; K343-I347 HydrophobicContact CD-CD1 4.23Å; K343-I347 HydrophobicContact CG-CD1 3.55Å; K343-I347 HydrophobicContact CG-CG1 4.36Å; K343-I347 WeakPolarHBondContact O-CB 3.3Å; K343-I347 WeakPolarHBondContact O-CG1 3.43Å; K343-I347 PolarHBondContact O-N 2.85Å; D344-I347 PolarHBondContact O-N 3.09Å; I347-N349 VanDerWaalsContact C-N 3.34Å; I347-N349 PolarHBondContact O-N 2.74Å; I347-M350 PolarHBondContact O-N 3.19Å; I347-K351 HydrophobicContact CG2-CD 3.86Å; I347-K351 VanDerWaalsContact CG2-CE 3.5Å; I347-K351 HydrophobicContact CG2-CG 4.22Å; I347-K351 WeakPolarHBondContact O-CB 3.44Å; I347-K351 VanDerWaalsContact O-CG 3.26Å; I347-K351 WeakPolarHBondContact O-CG 3.32Å; I347-K351 PolarHBondContact O-N 3.24Å
348	Q	65.9	Low	62.9	Low	114 Å²	114	59.3 Å²	59.3	53%	0.533	30%	0.303	S	S	.	.	H	α-helix	trans	-64.9	-38.9	179.5	-69.5	-62.7	-17	0	0	111.8	D344 E345 V346 K351 S352	D344-Q348 WeakPolarHBondContact O-CB 3.18Å; D344-Q348 WeakPolarHBondContact O-CG 3.34Å; D344-Q348 PolarHBondContact O-N 3.3Å; E345-Q348 PolarHBondContact O-N 3.43Å; V346-Q348 VanDerWaalsContact C-N 3.33Å; V346-Q348 PolarHBondContact O-N 3.47Å; Q348-K351 PolarHBondContact O-N 3.49Å; Q348-S352 WeakPolarHBondContact O-CB 3.39Å; Q348-S352 PolarHBondContact O-N 3.02Å; Q348-S352 PolarHBondContact O-OG 2.95Å
349	N	65.5	Low	62.4	Low	32 Å²	32	58 Å²	58	17%	0.171	29%	0.293	C	S	.	.	H	α-helix	trans	-65.8	-43.5	175.3	-61	-43.5	0	0	0	111.5	E345 V346 I347 S352 S353 K523	E345-N349 PolarHBondContact O-N 3.1Å; E345-N349 PolarHBondContact O-ND2 3.01Å; V346-N349 PolarHBondContact O-N 3.24Å; I347-N349 VanDerWaalsContact C-N 3.34Å; I347-N349 PolarHBondContact O-N 2.74Å; N349-S352 WeakPolarHBondContact CA-OG 3.46Å; N349-S352 PolarHBondContact O-N 3.46Å; N349-S352 PolarHBondContact O-OG 3.45Å; N349-S353 WeakPolarHBondContact O-CB 3.33Å; N349-S353 PolarHBondContact O-N 2.9Å; N349-S353 PolarHBondContact O-OG 3.43Å; N349-K523 VanDerWaalsContact CG-NZ 3.28Å; N349-K523 WeakPolarHBondContact ND2-CD 3.03Å; N349-K523 PolarHBondContact ND2-NZ 2.81Å; N349-K523 PolarHBondContact OD1-NZ 3.24Å
350	M	60.4	Low	62.3	Low	7 Å²	7	57.3 Å²	57.3	3%	0.034	29%	0.288	C	S	.	.	H	α-helix	trans	-62.2	-47.6	174.3	-72.2	-167	-173	0	0	110.6	L200 I207 V346 I347 S352 S353 F354 F662	L200-M350 HydrophobicContact CD1-CB 4.33Å; L200-M350 HydrophobicContact CD2-CB 4.26Å; I207-M350 HydrophobicContact CD1-CE 3.66Å; I207-M350 HydrophobicContact CD1-SD 4.35Å; V346-M350 HydrophobicContact CG1-CE 3.74Å; V346-M350 HydrophobicContact CG1-CG 4.39Å; V346-M350 WeakPolarHBondContact O-CB 3.11Å; V346-M350 WeakPolarHBondContact O-CG 3.19Å; V346-M350 PolarHBondContact O-N 2.88Å; I347-M350 PolarHBondContact O-N 3.19Å; M350-S352 VanDerWaalsContact C-N 3.29Å; M350-S352 PolarHBondContact O-N 3.46Å; M350-S353 CarbonylContact O-C 3.47Å; M350-S353 PolarHBondContact O-N 2.82Å; M350-F354 HydrophobicContact CB-CD2 4.3Å; M350-F354 WeakPolarHBondContact O-CB 3.46Å; M350-F354 WeakPolarHBondContact O-CD2 3.14Å; M350-F354 PolarHBondContact O-N 3.19Å; M350-F662 HydrophobicContact CE-CD1 3.69Å; M350-F662 HydrophobicContact CE-CE1 3.18Å; M350-F662 HydrophobicContact CE-CZ 4.08Å
351	K	61.8	Low	62.1	Low	72 Å²	72	59.7 Å²	59.7	31%	0.313	30%	0.301	S	S	.	.	H	α-helix	trans	-54.4	-44.9	175.3	-79	179.5	178.2	-180	0	111.8	L200 I347 Q348 S353 F354 D355	L200-K351 HydrophobicContact CD2-CB 4.19Å; L200-K351 HydrophobicContact CD2-CG 3.39Å; I347-K351 HydrophobicContact CG2-CD 3.86Å; I347-K351 VanDerWaalsContact CG2-CE 3.5Å; I347-K351 HydrophobicContact CG2-CG 4.22Å; I347-K351 WeakPolarHBondContact O-CB 3.44Å; I347-K351 VanDerWaalsContact O-CG 3.26Å; I347-K351 WeakPolarHBondContact O-CG 3.32Å; I347-K351 PolarHBondContact O-N 3.24Å; Q348-K351 PolarHBondContact O-N 3.49Å; K351-S353 VanDerWaalsContact C-N 3.25Å; K351-S353 PolarHBondContact O-N 3.32Å; K351-F354 CarbonylContact O-C 3.57Å; K351-D355 PolarHBondContact O-N 3.09Å
352	S	64.4	Low	61.6	Low	82 Å²	82	56.5 Å²	56.5	57%	0.573	28%	0.284	S	S	*	.	H	α-helix	trans	-68.3	-24.5	178.2	71.9	0	0	0	0	113.5	Q348 N349 M350	Q348-S352 WeakPolarHBondContact O-CB 3.39Å; Q348-S352 PolarHBondContact O-N 3.02Å; Q348-S352 PolarHBondContact O-OG 2.95Å; N349-S352 WeakPolarHBondContact CA-OG 3.46Å; N349-S352 PolarHBondContact O-N 3.46Å; N349-S352 PolarHBondContact O-OG 3.45Å; M350-S352 VanDerWaalsContact C-N 3.29Å; M350-S352 PolarHBondContact O-N 3.46Å
353	S	59.9	Low	61.2	Low	52 Å²	52	55.1 Å²	55.1	36%	0.364	28%	0.278	S	S	.	.	H	α-helix	trans	-90.6	-33.1	-179.6	-55.5	0	0	0	0	112.5	N349 M350 K351 D355 A516	N349-S353 WeakPolarHBondContact O-CB 3.33Å; N349-S353 PolarHBondContact O-N 2.9Å; N349-S353 PolarHBondContact O-OG 3.43Å; M350-S353 CarbonylContact O-C 3.47Å; M350-S353 PolarHBondContact O-N 2.82Å; K351-S353 VanDerWaalsContact C-N 3.25Å; K351-S353 PolarHBondContact O-N 3.32Å; S353-D355 PolarHBondContact O-N 3.47Å; S353-A516 WeakPolarHBondContact OG-CB 3.45Å
354	F	58.6	Low	61.1	Low	32 Å²	32	55 Å²	55	14%	0.14	28%	0.282	C	S	.	.	S	Bend	trans	-86.2	30.8	169.7	-74.9	-80.6	0	0	0	111.5	L200 M350 K351 L356 I513 L669	L200-F354 HydrophobicContact CD1-CD2 3.89Å; L200-F354 HydrophobicContact CD1-CE2 4.2Å; L200-F354 HydrophobicContact CD1-CG 4.44Å; M350-F354 HydrophobicContact CB-CD2 4.3Å; M350-F354 WeakPolarHBondContact O-CB 3.46Å; M350-F354 WeakPolarHBondContact O-CD2 3.14Å; M350-F354 PolarHBondContact O-N 3.19Å; K351-F354 CarbonylContact O-C 3.57Å; F354-L356 PolarHBondContact O-N 3.4Å; F354-I513 HydrophobicContact CE1-CD1 4.15Å; F354-I513 HydrophobicContact CE1-CG1 4.02Å; F354-I513 HydrophobicContact CZ-CD1 4.35Å; F354-I513 HydrophobicContact CZ-CG1 3.98Å; F354-L669 HydrophobicContact CE1-CD2 4.01Å; F354-L669 HydrophobicContact CE2-CD2 4.19Å; F354-L669 HydrophobicContact CZ-CD2 3.82Å
355	D	59.1	Low	61	Low	75 Å²	75	53.8 Å²	53.8	40%	0.401	28%	0.279	S	S	.	.			trans	-73	84.9	172	-170.7	9.3	0	0	0	109.7	K351 S353 N357 Y358	K351-D355 PolarHBondContact O-N 3.09Å; S353-D355 PolarHBondContact O-N 3.47Å; D355-N357 PolarHBondContact O-N 2.87Å; D355-N357 VanDerWaalsContact O-N 3.13Å; D355-N357 WeakPolarHBondContact OD1-CB 3.35Å; D355-N357 PolarHBondContact OD1-N 3.41Å; D355-N357 PolarHBondContact OD1-ND2 2.88Å; D355-Y358 PolarHBondContact O-N 3.44Å
356	L	57.6	Low	60.7	Low	21 Å²	21	53.4 Å²	53.4	11%	0.11	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-9.4	173.3	-70.7	-168.9	0	0	0	112	E196 F354 Y358 Y359 F360	E196-L356 VanDerWaalsContact CD-CD1 3.44Å; E196-L356 VanDerWaalsContact OE1-CD1 3.29Å; E196-L356 WeakPolarHBondContact OE1-CD1 3.23Å; E196-L356 WeakPolarHBondContact OE1-CG 3.46Å; E196-L356 WeakPolarHBondContact OE2-CD1 3.37Å; E196-L356 WeakPolarHBondContact OE2-CG 3.3Å; F354-L356 PolarHBondContact O-N 3.4Å; L356-Y358 PolarHBondContact O-N 3.35Å; L356-Y358 VanDerWaalsContact O-N 3.13Å; L356-Y359 HydrophobicContact CD2-CD2 4.03Å; L356-Y359 CarbonylContact O-C 3.49Å; L356-Y359 WeakPolarHBondContact O-CA 3.29Å; L356-Y359 PolarHBondContact O-N 3.14Å; L356-F360 HydrophobicContact CB-CD2 3.65Å; L356-F360 HydrophobicContact CB-CE2 3.28Å; L356-F360 HydrophobicContact CB-CZ 3.95Å; L356-F360 HydrophobicContact CD1-CE2 3.91Å; L356-F360 HydrophobicContact CD1-CZ 3.77Å; L356-F360 HydrophobicContact CG-CE2 4.25Å; L356-F360 VanDerWaalsContact O-CD2 3.24Å; L356-F360 WeakPolarHBondContact O-CD2 3.45Å; L356-F360 WeakPolarHBondContact O-CG 3.31Å; L356-F360 PolarHBondContact O-N 2.95Å
357	N	60.1	Low	60.7	Low	71 Å²	71	54.6 Å²	54.6	38%	0.38	28%	0.282	S	S	.	.	H	α-helix	trans	-55.5	-34.1	176.3	-70.2	-43.1	0	0	0	112	D355 Y359 F360 N361	D355-N357 PolarHBondContact O-N 2.87Å; D355-N357 VanDerWaalsContact O-N 3.13Å; D355-N357 WeakPolarHBondContact OD1-CB 3.35Å; D355-N357 PolarHBondContact OD1-N 3.41Å; D355-N357 PolarHBondContact OD1-ND2 2.88Å; N357-Y359 VanDerWaalsContact C-N 3.33Å; N357-Y359 PolarHBondContact O-N 3.34Å; N357-F360 PolarHBondContact O-N 3.03Å; N357-N361 WeakPolarHBondContact O-CB 3.41Å; N357-N361 PolarHBondContact O-N 3.2Å; N357-N361 PolarHBondContact O-ND2 2.93Å; N357-N361 VanDerWaalsContact O-ND2 3.11Å
358	Y	59.7	Low	60.7	Low	108 Å²	108	58 Å²	58	42%	0.424	30%	0.3	S	S	.	.	H	α-helix	trans	-60	-44.5	174.5	-179.9	-99.9	0	0	0	111.8	D355 L356 I362	D355-Y358 PolarHBondContact O-N 3.44Å; L356-Y358 PolarHBondContact O-N 3.35Å; L356-Y358 VanDerWaalsContact O-N 3.13Å; Y358-I362 HydrophobicContact CD1-CD1 3.8Å; Y358-I362 HydrophobicContact CE1-CD1 3.32Å; Y358-I362 HydrophobicContact CE1-CG1 4.42Å; Y358-I362 WeakPolarHBondContact O-CG1 3.26Å; Y358-I362 PolarHBondContact O-N 2.91Å; Y358-I362 VanDerWaalsContact O-N 3.07Å
359	Y	57.3	Low	60.4	Low	56 Å²	56	56.9 Å²	56.9	22%	0.22	30%	0.297	C	S	.	.	H	α-helix	trans	-77.1	-35.1	-180	-62.8	-79.6	0	0	0	112.3	L356 N357 N361 I362 F363 I509	L356-Y359 HydrophobicContact CD2-CD2 4.03Å; L356-Y359 CarbonylContact O-C 3.49Å; L356-Y359 WeakPolarHBondContact O-CA 3.29Å; L356-Y359 PolarHBondContact O-N 3.14Å; N357-Y359 VanDerWaalsContact C-N 3.33Å; N357-Y359 PolarHBondContact O-N 3.34Å; Y359-N361 VanDerWaalsContact C-N 3.32Å; Y359-I362 HydrophobicContact CD1-CD1 4.42Å; Y359-I362 WeakPolarHBondContact O-CB 3.34Å; Y359-I362 PolarHBondContact O-N 2.86Å; Y359-F363 WeakPolarHBondContact O-CB 3.35Å; Y359-F363 PolarHBondContact O-N 3.12Å; Y359-I509 HydrophobicContact CE1-CD1 4.4Å; Y359-I509 HydrophobicContact CE1-CG1 4.33Å; Y359-I509 HydrophobicContact CE2-CD1 4.42Å; Y359-I509 HydrophobicContact CE2-CG1 4.37Å
360	F	61.3	Low	60	Low	18 Å²	18	58.4 Å²	58.4	8%	0.079	31%	0.305	C	S	.	.	H	α-helix	trans	-66.3	-34.7	171.6	-67.6	-47.7	0	0	0	111.8	F189 V192 I193 L356 N357 F363 T364	F189-F360 HydrophobicContact CD1-CB 4.48Å; F189-F360 AromaticContact CD1-CD1 3.26Å; F189-F360 HydrophobicContact CD1-CD1 3.26Å; F189-F360 AromaticContact CD1-CE1 3.54Å; F189-F360 HydrophobicContact CD1-CE1 3.54Å; F189-F360 AromaticContact CD1-CG 3.95Å; F189-F360 HydrophobicContact CD1-CG 3.95Å; F189-F360 HydrophobicContact CD1-CZ 4.4Å; F189-F360 AromaticContact CE1-CD1 3.32Å; F189-F360 HydrophobicContact CE1-CD1 3.32Å; F189-F360 AromaticContact CE1-CE1 3.68Å; F189-F360 HydrophobicContact CE1-CE1 3.68Å; F189-F360 HydrophobicContact CE1-CG 4.3Å; F189-F360 HydrophobicContact CG-CD1 4.35Å; F189-F360 HydrophobicContact CZ-CD1 4.4Å; V192-F360 HydrophobicContact CB-CZ 4.37Å; V192-F360 HydrophobicContact CG1-CE1 4.32Å; V192-F360 HydrophobicContact CG1-CE2 4.46Å; V192-F360 HydrophobicContact CG1-CZ 3.61Å; I193-F360 HydrophobicContact CD1-CD2 4.12Å; I193-F360 HydrophobicContact CD1-CE2 4.28Å; I193-F360 HydrophobicContact CG1-CD2 4.02Å; I193-F360 HydrophobicContact CG1-CE2 3.66Å; L356-F360 HydrophobicContact CB-CD2 3.65Å; L356-F360 HydrophobicContact CB-CE2 3.28Å; L356-F360 HydrophobicContact CB-CZ 3.95Å; L356-F360 HydrophobicContact CD1-CE2 3.91Å; L356-F360 HydrophobicContact CD1-CZ 3.77Å; L356-F360 HydrophobicContact CG-CE2 4.25Å; L356-F360 VanDerWaalsContact O-CD2 3.24Å; L356-F360 WeakPolarHBondContact O-CD2 3.45Å; L356-F360 WeakPolarHBondContact O-CG 3.31Å; L356-F360 PolarHBondContact O-N 2.95Å; N357-F360 PolarHBondContact O-N 3.03Å; F360-F363 PolarHBondContact O-N 2.85Å; F360-T364 WeakPolarHBondContact O-CB 3.26Å; F360-T364 PolarHBondContact O-N 3.3Å; F360-T364 PolarHBondContact O-OG1 2.77Å
361	N	62	Low	59.9	Low	105 Å²	105	59.7 Å²	59.7	56%	0.561	31%	0.311	S	S	*	.	H	α-helix	trans	-66.1	-40.8	171.3	-74.4	-24	0	0	0	111	N357 Y359 T364 S365	N357-N361 WeakPolarHBondContact O-CB 3.41Å; N357-N361 PolarHBondContact O-N 3.2Å; N357-N361 PolarHBondContact O-ND2 2.93Å; N357-N361 VanDerWaalsContact O-ND2 3.11Å; Y359-N361 VanDerWaalsContact C-N 3.32Å; N361-T364 PolarHBondContact O-N 3.26Å; N361-S365 VanDerWaalsContact O-CB 3.26Å; N361-S365 WeakPolarHBondContact O-CB 3.46Å; N361-S365 PolarHBondContact O-N 3.26Å; N361-S365 PolarHBondContact O-OG 3.1Å
362	I	59.3	Low	59.8	Low	36 Å²	36	62.1 Å²	62.1	19%	0.185	32%	0.323	C	S	.	.	H	α-helix	trans	-61	-48.6	172.5	-69.5	166.1	0	0	0	110.1	Y358 Y359 T364 S365 L366 L450	Y358-I362 HydrophobicContact CD1-CD1 3.8Å; Y358-I362 HydrophobicContact CE1-CD1 3.32Å; Y358-I362 HydrophobicContact CE1-CG1 4.42Å; Y358-I362 WeakPolarHBondContact O-CG1 3.26Å; Y358-I362 PolarHBondContact O-N 2.91Å; Y358-I362 VanDerWaalsContact O-N 3.07Å; Y359-I362 HydrophobicContact CD1-CD1 4.42Å; Y359-I362 WeakPolarHBondContact O-CB 3.34Å; Y359-I362 PolarHBondContact O-N 2.86Å; I362-T364 PolarHBondContact O-N 3.26Å; I362-S365 WeakPolarHBondContact CA-OG 3.45Å; I362-S365 PolarHBondContact O-N 2.88Å; I362-S365 PolarHBondContact O-OG 3.15Å; I362-L366 WeakPolarHBondContact O-CB 3.49Å; I362-L366 PolarHBondContact O-N 2.97Å; I362-L450 HydrophobicContact CG2-CD1 3.78Å
363	F	57	Low	59.3	Low	44 Å²	44	61.7 Å²	61.7	19%	0.193	32%	0.315	C	S	.	.	H	α-helix	trans	-63.4	-42.5	179.5	-168.1	-84.3	0	0	0	112	F189 Y359 F360 S365 L366 W367 I498 F681	F189-F363 HydrophobicContact CE1-CD1 4.28Å; F189-F363 HydrophobicContact CE2-CD1 4.11Å; F189-F363 AromaticContact CZ-CD1 3.37Å; F189-F363 HydrophobicContact CZ-CD1 3.37Å; F189-F363 AromaticContact CZ-CE1 3.85Å; F189-F363 HydrophobicContact CZ-CE1 3.85Å; F189-F363 HydrophobicContact CZ-CG 4.18Å; Y359-F363 WeakPolarHBondContact O-CB 3.35Å; Y359-F363 PolarHBondContact O-N 3.12Å; F360-F363 PolarHBondContact O-N 2.85Å; F363-S365 VanDerWaalsContact C-N 3.33Å; F363-S365 PolarHBondContact O-N 3.32Å; F363-L366 PolarHBondContact O-N 2.67Å; F363-W367 HydrophobicContact CE1-CE3 4.44Å; F363-W367 WeakPolarHBondContact O-CB 3.43Å; F363-W367 PolarHBondContact O-N 2.8Å; F363-I498 HydrophobicContact CD2-CD1 4.41Å; F363-I498 HydrophobicContact CE2-CD1 3.39Å; F363-I498 HydrophobicContact CZ-CD1 3.83Å; F363-F681 HydrophobicContact CD1-CE1 4.47Å; F363-F681 HydrophobicContact CD1-CZ 4.44Å; F363-F681 AromaticContact CE1-CE1 3.72Å; F363-F681 HydrophobicContact CE1-CE1 3.72Å; F363-F681 HydrophobicContact CE1-CZ 4.12Å; F363-F681 AromaticContact CE2-CE1 4Å; F363-F681 HydrophobicContact CE2-CE1 4Å; F363-F681 HydrophobicContact CE2-CZ 4.36Å; F363-F681 HydrophobicContact CZ-CD1 4.48Å; F363-F681 AromaticContact CZ-CE1 3.45Å; F363-F681 HydrophobicContact CZ-CE1 3.45Å; F363-F681 VanDerWaalsContact CZ-CE1 3.45Å; F363-F681 HydrophobicContact CZ-CZ 4.09Å
364	T	61.3	Low	59	Low	50 Å²	50	63.6 Å²	63.6	31%	0.307	32%	0.32	S	S	.	.	H	α-helix	trans	-62.5	-41.4	175.5	-58	0	0	0	0	110.5	F360 N361 I362 L366 W367 L368	F360-T364 WeakPolarHBondContact O-CB 3.26Å; F360-T364 PolarHBondContact O-N 3.3Å; F360-T364 PolarHBondContact O-OG1 2.77Å; N361-T364 PolarHBondContact O-N 3.26Å; I362-T364 PolarHBondContact O-N 3.26Å; T364-L366 VanDerWaalsContact C-N 3.34Å; T364-W367 PolarHBondContact O-N 3.2Å; T364-L368 HydrophobicContact CG2-CD1 4.12Å; T364-L368 HydrophobicContact CG2-CG 4.46Å; T364-L368 WeakPolarHBondContact O-CB 3.34Å; T364-L368 VanDerWaalsContact O-CG 3.23Å; T364-L368 WeakPolarHBondContact O-CG 3.22Å; T364-L368 PolarHBondContact O-N 2.87Å
365	S	61.4	Low	58.7	Low	56 Å²	56	64.7 Å²	64.7	39%	0.392	33%	0.326	S	S	.	.	H	α-helix	trans	-65.9	-37.3	175.4	74.7	0	0	0	0	112.2	N361 I362 F363 L368 L369	N361-S365 VanDerWaalsContact O-CB 3.26Å; N361-S365 WeakPolarHBondContact O-CB 3.46Å; N361-S365 PolarHBondContact O-N 3.26Å; N361-S365 PolarHBondContact O-OG 3.1Å; I362-S365 WeakPolarHBondContact CA-OG 3.45Å; I362-S365 PolarHBondContact O-N 2.88Å; I362-S365 PolarHBondContact O-OG 3.15Å; F363-S365 VanDerWaalsContact C-N 3.33Å; F363-S365 PolarHBondContact O-N 3.32Å; S365-L368 PolarHBondContact O-N 3.45Å; S365-L369 VanDerWaalsContact O-CB 3.29Å; S365-L369 WeakPolarHBondContact O-CB 3.24Å; S365-L369 PolarHBondContact O-N 2.9Å
366	L	59.7	Low	58.4	Low	60 Å²	60	64.4 Å²	64.4	31%	0.314	33%	0.325	S	S	.	.	H	α-helix	trans	-69.9	-39.7	176.8	-159.3	146.2	0	0	0	110.5	I362 F363 T364 L369 L370	I362-L366 WeakPolarHBondContact O-CB 3.49Å; I362-L366 PolarHBondContact O-N 2.97Å; F363-L366 PolarHBondContact O-N 2.67Å; T364-L366 VanDerWaalsContact C-N 3.34Å; L366-L369 WeakPolarHBondContact O-CB 3.11Å; L366-L369 PolarHBondContact O-N 3.14Å; L366-L370 HydrophobicContact CD2-CD1 4.46Å; L366-L370 VanDerWaalsContact O-CB 3.27Å; L366-L370 WeakPolarHBondContact O-CB 3.35Å; L366-L370 PolarHBondContact O-N 3.26Å
367	W	61.2	Low	58.1	Low	42 Å²	42	68.5 Å²	68.5	16%	0.159	34%	0.343	C	S	.	.	H	α-helix	trans	-64.5	-43.8	173.2	-169.8	-99.8	0	0	0	111.9	F363 T364 L370 Q371 I688	F363-W367 HydrophobicContact CE1-CE3 4.44Å; F363-W367 WeakPolarHBondContact O-CB 3.43Å; F363-W367 PolarHBondContact O-N 2.8Å; T364-W367 PolarHBondContact O-N 3.2Å; W367-L370 PolarHBondContact O-N 3.18Å; W367-Q371 VanDerWaalsContact O-CB 3.3Å; W367-Q371 WeakPolarHBondContact O-CB 3.37Å; W367-Q371 PolarHBondContact O-N 3.14Å; W367-I688 HydrophobicContact CH2-CD1 3.77Å; W367-I688 HydrophobicContact CZ2-CD1 3.81Å
368	L	62	Low	57.4	Low	85 Å²	85	70.3 Å²	70.3	45%	0.445	35%	0.353	S	S	.	.	H	α-helix	trans	-62.5	-42.9	173.3	-75.6	169.3	0	0	0	111.3	T364 S365 L370 Q371 E372	T364-L368 HydrophobicContact CG2-CD1 4.12Å; T364-L368 HydrophobicContact CG2-CG 4.46Å; T364-L368 WeakPolarHBondContact O-CB 3.34Å; T364-L368 VanDerWaalsContact O-CG 3.23Å; T364-L368 WeakPolarHBondContact O-CG 3.22Å; T364-L368 PolarHBondContact O-N 2.87Å; S365-L368 PolarHBondContact O-N 3.45Å; L368-L370 VanDerWaalsContact C-N 3.32Å; L368-L370 PolarHBondContact O-N 2.81Å; L368-Q371 WeakPolarHBondContact O-CB 3.16Å; L368-Q371 PolarHBondContact O-N 3.27Å; L368-E372 VanDerWaalsContact O-CB 3.26Å; L368-E372 WeakPolarHBondContact O-CB 3.35Å; L368-E372 PolarHBondContact O-N 3.34Å
369	L	59.5	Low	56.7	Low	90 Å²	90	67.8 Å²	67.8	47%	0.471	35%	0.346	S	S	.	.	H	α-helix	trans	-61.9	-39	173.5	-97.4	155	0	0	0	112.1	S365 L366 N373	S365-L369 VanDerWaalsContact O-CB 3.29Å; S365-L369 WeakPolarHBondContact O-CB 3.24Å; S365-L369 PolarHBondContact O-N 2.9Å; L366-L369 WeakPolarHBondContact O-CB 3.11Å; L366-L369 PolarHBondContact O-N 3.14Å; L369-N373 VanDerWaalsContact CD2-ND2 3.34Å; L369-N373 WeakPolarHBondContact CD2-ND2 3.39Å; L369-N373 WeakPolarHBondContact O-CB 3.37Å; L369-N373 PolarHBondContact O-N 3.45Å; L369-N373 PolarHBondContact O-ND2 3.27Å
370	L	55.7	Low	56.1	Low	64 Å²	64	68.7 Å²	68.7	34%	0.335	36%	0.361	S	S	.	.	H	α-helix	trans	-71.9	-37.7	178.9	-152.5	141	0	0	0	110.5	L366 W367 L368 I374	L366-L370 HydrophobicContact CD2-CD1 4.46Å; L366-L370 VanDerWaalsContact O-CB 3.27Å; L366-L370 WeakPolarHBondContact O-CB 3.35Å; L366-L370 PolarHBondContact O-N 3.26Å; W367-L370 PolarHBondContact O-N 3.18Å; L368-L370 VanDerWaalsContact C-N 3.32Å; L368-L370 PolarHBondContact O-N 2.81Å; L370-I374 HydrophobicContact CD2-CD1 3.9Å; L370-I374 HydrophobicContact CG-CD1 3.81Å; L370-I374 HydrophobicContact CG-CG1 4.42Å; L370-I374 WeakPolarHBondContact O-CA 3.18Å; L370-I374 VanDerWaalsContact O-CB 3.23Å; L370-I374 WeakPolarHBondContact O-CB 3.37Å; L370-I374 PolarHBondContact O-N 3.41Å
371	Q	59.6	Low	55.2	Low	34 Å²	34	77.8 Å²	77.8	16%	0.159	40%	0.396	C	S	.	.	I	π-helix	trans	-63.6	-48.8	171.3	-176.1	172.4	-13.8	0	0	111.1	W367 L368 I375 D376	W367-Q371 VanDerWaalsContact O-CB 3.3Å; W367-Q371 WeakPolarHBondContact O-CB 3.37Å; W367-Q371 PolarHBondContact O-N 3.14Å; L368-Q371 WeakPolarHBondContact O-CB 3.16Å; L368-Q371 PolarHBondContact O-N 3.27Å; Q371-I375 HydrophobicContact CG-CD1 4.43Å; Q371-I375 CarbonylContact O-C 3.51Å; Q371-I375 WeakPolarHBondContact O-CA 3.47Å; Q371-I375 VanDerWaalsContact O-CB 3.24Å; Q371-I375 WeakPolarHBondContact O-CB 3.28Å; Q371-I375 PolarHBondContact O-N 3.36Å; Q371-D376 PolarHBondContact O-N 3.5Å
372	E	58.8	Low	54.2	Low	124 Å²	124	78.5 Å²	78.5	58%	0.579	40%	0.399	S	S	*	.	I	π-helix	trans	-69.9	-43.2	-178.5	-166.2	175.2	-169	0	0	112.1	L368 D376 Q377	L368-E372 VanDerWaalsContact O-CB 3.26Å; L368-E372 WeakPolarHBondContact O-CB 3.35Å; L368-E372 PolarHBondContact O-N 3.34Å; E372-D376 WeakPolarHBondContact O-CB 3.34Å; E372-Q377 PolarHBondContact O-N 2.88Å
373	N	53.9	Low	53.4	Low	73 Å²	73	79.7 Å²	79.7	39%	0.39	41%	0.409	S	S	.	.	I	π-helix	trans	-84.3	-29.9	-176.2	-73.8	-37.8	0	0	0	114.4	L369 Q377	L369-N373 VanDerWaalsContact CD2-ND2 3.34Å; L369-N373 WeakPolarHBondContact CD2-ND2 3.39Å; L369-N373 WeakPolarHBondContact O-CB 3.37Å; L369-N373 PolarHBondContact O-N 3.45Å; L369-N373 PolarHBondContact O-ND2 3.27Å; N373-Q377 VanDerWaalsContact O-CB 3.22Å; N373-Q377 WeakPolarHBondContact O-CB 3.37Å; N373-Q377 VanDerWaalsContact O-CG 3.22Å; N373-Q377 WeakPolarHBondContact O-CG 3.46Å; N373-Q377 PolarHBondContact O-OE1 2.9Å
374	I	53.1	Low	52.6	Low	92 Å²	92	83.4 Å²	83.4	47%	0.472	43%	0.429	S	S	.	.	I	π-helix	trans	-103.4	-52.1	-177.9	-54.1	-174.9	0	0	0	110.1	L370 L378	L370-I374 HydrophobicContact CD2-CD1 3.9Å; L370-I374 HydrophobicContact CG-CD1 3.81Å; L370-I374 HydrophobicContact CG-CG1 4.42Å; L370-I374 WeakPolarHBondContact O-CA 3.18Å; L370-I374 VanDerWaalsContact O-CB 3.23Å; L370-I374 WeakPolarHBondContact O-CB 3.37Å; L370-I374 PolarHBondContact O-N 3.41Å; I374-L378 HydrophobicContact CG2-CD1 4.48Å; I374-L378 VanDerWaalsContact O-CB 3.3Å; I374-L378 WeakPolarHBondContact O-CB 3.45Å; I374-L378 WeakPolarHBondContact O-CD1 3.31Å; I374-L378 PolarHBondContact O-N 3.05Å; I374-L378 VanDerWaalsContact O-N 3.08Å
375	I	52.4	Low	51.6	Low	54 Å²	54	88.7 Å²	88.7	28%	0.277	46%	0.456	S	S	.	.	I	π-helix	trans	-76.8	-46.8	-174	-56.6	177.4	0	0	0	110.1	Q371 L378 N379	Q371-I375 HydrophobicContact CG-CD1 4.43Å; Q371-I375 CarbonylContact O-C 3.51Å; Q371-I375 WeakPolarHBondContact O-CA 3.47Å; Q371-I375 VanDerWaalsContact O-CB 3.24Å; Q371-I375 WeakPolarHBondContact O-CB 3.28Å; Q371-I375 PolarHBondContact O-N 3.36Å; I375-L378 PolarHBondContact O-N 3.1Å; I375-N379 WeakPolarHBondContact O-CB 3.3Å; I375-N379 PolarHBondContact O-N 3.09Å; I375-N379 PolarHBondContact O-ND2 2.77Å; I375-N379 PolarHBondContact O-OD1 2.69Å
376	D	54.3	Low	51	Low	70 Å²	70	93.7 Å²	93.7	37%	0.374	47%	0.47	S	S	.	.	I	π-helix	trans	-75.7	-31	-179.8	-65.2	-31.9	0	0	0	113.2	Q371 E372 N379 S380	Q371-D376 PolarHBondContact O-N 3.5Å; E372-D376 WeakPolarHBondContact O-CB 3.34Å; D376-N379 CarbonylContact O-C 3.6Å; D376-N379 PolarHBondContact O-N 3.1Å; D376-N379 PolarHBondContact OD1-ND2 3.37Å; D376-S380 VanDerWaalsContact O-CB 3.31Å; D376-S380 WeakPolarHBondContact O-CB 3.44Å; D376-S380 PolarHBondContact O-N 3.3Å; D376-S380 PolarHBondContact O-OG 2.99Å
377	Q	51	Low	50.2	Low	106 Å²	106	97.8 Å²	97.8	50%	0.495	49%	0.488	S	S	.	.	H	α-helix	trans	-66.7	-42.9	168.4	-70.7	-171.5	0.5	0	0	111.9	E372 N373 N379 S380 Y381	E372-Q377 PolarHBondContact O-N 2.88Å; N373-Q377 VanDerWaalsContact O-CB 3.22Å; N373-Q377 WeakPolarHBondContact O-CB 3.37Å; N373-Q377 VanDerWaalsContact O-CG 3.22Å; N373-Q377 WeakPolarHBondContact O-CG 3.46Å; N373-Q377 PolarHBondContact O-OE1 2.9Å; Q377-N379 VanDerWaalsContact C-N 3.25Å; Q377-N379 PolarHBondContact O-N 3.35Å; Q377-S380 PolarHBondContact O-N 3.2Å; Q377-S380 PolarHBondContact O-OG 2.91Å; Q377-Y381 PolarHBondContact O-N 3.34Å
378	L	44.6	Very low	49.4	Very low	110 Å²	110	103.4 Å²	103.4	58%	0.576	52%	0.521	S	S	*	.	H	α-helix	trans	-57.1	-42.9	170.2	-113	93.5	0	0	0	110.8	I374 I375 Y381 L382	I374-L378 HydrophobicContact CG2-CD1 4.48Å; I374-L378 VanDerWaalsContact O-CB 3.3Å; I374-L378 WeakPolarHBondContact O-CB 3.45Å; I374-L378 WeakPolarHBondContact O-CD1 3.31Å; I374-L378 PolarHBondContact O-N 3.05Å; I374-L378 VanDerWaalsContact O-N 3.08Å; I375-L378 PolarHBondContact O-N 3.1Å; L378-Y381 PolarHBondContact O-N 3.47Å; L378-L382 WeakPolarHBondContact O-CB 3.45Å; L378-L382 WeakPolarHBondContact O-CD1 3.5Å; L378-L382 WeakPolarHBondContact O-CG 3.41Å; L378-L382 PolarHBondContact O-N 3.39Å
379	N	46	Very low	48.6	Very low	54 Å²	54	106.2 Å²	106.2	29%	0.289	53%	0.532	S	S	.	.	H	α-helix	trans	-67.5	-37.9	180	-68.6	-29	0	0	0	112.5	I375 D376 Q377 L382 T383	I375-N379 WeakPolarHBondContact O-CB 3.3Å; I375-N379 PolarHBondContact O-N 3.09Å; I375-N379 PolarHBondContact O-ND2 2.77Å; I375-N379 PolarHBondContact O-OD1 2.69Å; D376-N379 CarbonylContact O-C 3.6Å; D376-N379 PolarHBondContact O-N 3.1Å; D376-N379 PolarHBondContact OD1-ND2 3.37Å; Q377-N379 VanDerWaalsContact C-N 3.25Å; Q377-N379 PolarHBondContact O-N 3.35Å; N379-L382 PolarHBondContact O-N 2.97Å; N379-T383 PolarHBondContact O-N 3.22Å; N379-T383 VanDerWaalsContact O-N 3.14Å; N379-T383 PolarHBondContact O-OG1 3.47Å
380	S	44.6	Very low	47.9	Very low	75 Å²	75	105.5 Å²	105.5	52%	0.524	53%	0.528	S	S	.	.	H	α-helix	trans	-71.2	-34	178.9	76.7	0	0	0	0	112.1	D376 Q377 L382	D376-S380 VanDerWaalsContact O-CB 3.31Å; D376-S380 WeakPolarHBondContact O-CB 3.44Å; D376-S380 PolarHBondContact O-N 3.3Å; D376-S380 PolarHBondContact O-OG 2.99Å; Q377-S380 PolarHBondContact O-N 3.2Å; Q377-S380 PolarHBondContact O-OG 2.91Å; S380-L382 PolarHBondContact O-N 3.22Å
381	Y	41.3	Very low	47.2	Very low	209 Å²	209	110.3 Å²	110.3	82%	0.82	55%	0.548	S	S	*	.	H	α-helix	trans	-69	-22.7	171.7	-100.4	-86.1	0	0	0	112.6	Q377 L378	Q377-Y381 PolarHBondContact O-N 3.34Å; L378-Y381 PolarHBondContact O-N 3.47Å
382	L	42.2	Very low	46.5	Very low	120 Å²	120	115.4 Å²	115.4	63%	0.628	58%	0.576	S	S	*	*	H	α-helix	trans	-99.5	-5.2	-177.6	-73.8	166.4	0	0	0	114.2	L378 N379 S380	L378-L382 WeakPolarHBondContact O-CB 3.45Å; L378-L382 WeakPolarHBondContact O-CD1 3.5Å; L378-L382 WeakPolarHBondContact O-CG 3.41Å; L378-L382 PolarHBondContact O-N 3.39Å; N379-L382 PolarHBondContact O-N 2.97Å; S380-L382 PolarHBondContact O-N 3.22Å
383	T	42.2	Very low	45.9	Very low	62 Å²	62	113.7 Å²	113.7	38%	0.38	57%	0.574	S	S	.	*	S	Bend	trans	-125.3	104.4	-174.3	50.3	0	0	0	0	115	N379 N385	N379-T383 PolarHBondContact O-N 3.22Å; N379-T383 VanDerWaalsContact O-N 3.14Å; N379-T383 PolarHBondContact O-OG1 3.47Å; T383-N385 PolarHBondContact O-N 3.44Å; T383-N385 VanDerWaalsContact O-N 3.14Å
384	I	40.1	Very low	45.3	Very low	121 Å²	121	116.3 Å²	116.3	62%	0.621	59%	0.587	S	S	*	*	S	Bend	trans	80.1	-11.9	130.6	-61.9	164.1	0	0	0	120.6	K386	I384-K386 PolarHBondContact O-N 3.39Å
385	N	40.6	Very low	44.6	Very low	162 Å²	162	121.7 Å²	121.7	87%	0.866	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	25.4	-170.8	-93.6	-5.8	0	0	0	120	T383	T383-N385 PolarHBondContact O-N 3.44Å; T383-N385 VanDerWaalsContact O-N 3.14Å
386	K	47.1	Very low	44.2	Very low	161 Å²	161	126.5 Å²	126.5	70%	0.7	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.3	13.1	173	-94.2	-166.1	175.1	-175.4	0	117.5	I384 N388	I384-K386 PolarHBondContact O-N 3.39Å; K386-N388 PolarHBondContact O-N 3.13Å
387	Q	43.1	Very low	43.7	Very low	146 Å²	146	130 Å²	130	68%	0.682	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	-17.4	-174.1	-114.1	165.4	-22.2	0	0	115.7
388	N	44.9	Very low	43	Very low	159 Å²	159	130.3 Å²	130.3	85%	0.85	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	-9.5	-175.7	-80.9	-15.6	0	0	0	115.7	K386	K386-N388 PolarHBondContact O-N 3.13Å
389	E	45.8	Very low	42.7	Very low	145 Å²	145	132.3 Å²	132.3	68%	0.678	67%	0.666	S	S	*	*	S	Bend	trans	-95.4	-15	-179	-95	-178	149.2	0	0	114.3
390	I	43.5	Very low	42.5	Very low	75 Å²	75	137.2 Å²	137.2	39%	0.385	69%	0.691	S	S	.	*	S	Bend	trans	-88.6	-13	-171.5	-64.7	172.1	0	0	0	112.5	N392 I394	I390-N392 PolarHBondContact O-N 3.02Å; I390-I394 HydrophobicContact CG2-CD1 4.26Å; I390-I394 WeakPolarHBondContact O-CD1 3.46Å
391	H	41.3	Very low	42.6	Very low	164 Å²	164	140.6 Å²	140.6	76%	0.759	70%	0.702	S	S	*	*	S	Bend	trans	-74.5	-22	-178.1	-154.3	59.4	0	0	0	114
392	N	46.5	Very low	42.5	Very low	141 Å²	141	136 Å²	136	75%	0.754	70%	0.7	S	S	*	*	S	Bend	trans	-95.3	-11.8	-172.9	-75.4	-19.9	0	0	0	115	I390	I390-N392 PolarHBondContact O-N 3.02Å
393	T	45.3	Very low	42.9	Very low	88 Å²	88	136.9 Å²	136.9	54%	0.54	71%	0.705	S	S	.	*	S	Bend	trans	-101.6	-10.3	-171.5	37.5	0	0	0	0	114.5	K395	T393-K395 VanDerWaalsContact C-N 3.3Å; T393-K395 PolarHBondContact O-N 2.87Å
394	I	41.9	Very low	43.2	Very low	129 Å²	129	138.7 Å²	138.7	66%	0.662	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	-10.2	-173.6	-67	171.4	0	0	0	113.4	I390 L396	I390-I394 HydrophobicContact CG2-CD1 4.26Å; I390-I394 WeakPolarHBondContact O-CD1 3.46Å; I394-L396 PolarHBondContact O-N 3.3Å
395	K	37.3	Very low	43.6	Very low	205 Å²	205	137.3 Å²	137.3	89%	0.891	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	-8.1	-173.4	-156.8	171.9	-179.2	179.1	0	115.5	T393	T393-K395 VanDerWaalsContact C-N 3.3Å; T393-K395 PolarHBondContact O-N 2.87Å
396	L	44.6	Very low	43.8	Very low	155 Å²	155	138.8 Å²	138.8	81%	0.812	71%	0.706	S	S	*	*	S	Bend	trans	-113.6	-4.7	-163.8	-88.1	163.7	0	0	0	116.7	I394	I394-L396 PolarHBondContact O-N 3.3Å
397	I	44.4	Very low	44.1	Very low	143 Å²	143	135.1 Å²	135.1	73%	0.733	69%	0.693	S	S	*	*			trans	-124.8	68.7	-163.4	-50.8	176.1	0	0	0	110.4
398	N	35	Very low	44.3	Very low	112 Å²	112	132.9 Å²	132.9	60%	0.599	68%	0.684	S	S	*	*			trans	-121.1	-0.8	-174.8	-155.8	28.4	0	0	0	115.1
399	D	38.4	Very low	44.5	Very low	153 Å²	153	130.9 Å²	130.9	82%	0.818	67%	0.672	S	S	*	*	S	Bend	trans	-119.2	8.8	-163.6	-73.2	-17.4	0	0	0	117.7
400	L	43.2	Very low	44.9	Very low	156 Å²	156	129.6 Å²	129.6	82%	0.817	67%	0.668	S	S	*	*			trans	-126.7	16.7	-168.3	-84.4	159.3	0	0	0	117.7
401	I	45.9	Very low	45.2	Very low	146 Å²	146	130.2 Å²	130.2	75%	0.749	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	2.9	-163.5	-65.3	172.3	0	0	0	115.7
402	S	38.3	Very low	45.7	Very low	112 Å²	112	127.2 Å²	127.2	78%	0.783	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-16.2	-175.6	-171.4	0	0	0	0	116.2
403	I	50.6	Low	46	Very low	140 Å²	140	126.6 Å²	126.6	72%	0.718	66%	0.657	S	S	*	*	S	Bend	trans	-103.1	-15.2	-168.1	-64.6	170.3	0	0	0	112.6
404	M	49	Very low	46.4	Very low	99 Å²	99	127.5 Å²	127.5	49%	0.488	66%	0.658	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.7	-7.4	-167.3	-65.7	-63.6	-95.2	0	0	115.6	Y406 I407 M408	M404-Y406 VanDerWaalsContact C-N 3.27Å; M404-Y406 PolarHBondContact O-N 2.99Å; M404-I407 PolarHBondContact O-N 3.19Å; M404-I407 HydrophobicContact SD-CD1 3.96Å; M404-M408 VanDerWaalsContact O-CG 3.27Å; M404-M408 WeakPolarHBondContact O-CG 3.25Å; M404-M408 PolarHBondContact O-N 3.19Å
405	S	47.9	Very low	46.9	Very low	93 Å²	93	125.1 Å²	125.1	65%	0.65	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	-23.7	-172.9	66.9	0	0	0	0	114.5
406	Y	45.2	Very low	47.9	Very low	193 Å²	193	120.2 Å²	120.2	76%	0.757	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-29.5	-179.8	-148.2	-94.2	0	0	0	113	M404 M408	M404-Y406 VanDerWaalsContact C-N 3.27Å; M404-Y406 PolarHBondContact O-N 2.99Å; Y406-M408 PolarHBondContact O-N 3.5Å
407	I	54.1	Low	48.4	Very low	83 Å²	83	116.3 Å²	116.3	43%	0.426	61%	0.611	S	S	.	*	H	α-helix	trans	-68.9	-26.3	174.6	-70.1	171	0	0	0	110.9	M404 I409 I410 L411	M404-I407 PolarHBondContact O-N 3.19Å; M404-I407 HydrophobicContact SD-CD1 3.96Å; I407-I409 PolarHBondContact O-N 3.41Å; I407-I410 PolarHBondContact O-N 3.25Å; I407-L411 HydrophobicContact CG2-CD1 3.38Å; I407-L411 PolarHBondContact O-N 3.4Å; I407-L411 VanDerWaalsContact O-N 3.12Å
408	M	48.2	Very low	49	Very low	100 Å²	100	115.4 Å²	115.4	49%	0.493	60%	0.602	S	S	.	*	H	α-helix	trans	-64.3	-31.2	-177.1	-75.2	-73.8	-75.2	0	0	115.1	M404 Y406 L412	M404-M408 VanDerWaalsContact O-CG 3.27Å; M404-M408 WeakPolarHBondContact O-CG 3.25Å; M404-M408 PolarHBondContact O-N 3.19Å; Y406-M408 PolarHBondContact O-N 3.5Å; M408-L412 PolarHBondContact O-N 3.23Å; M408-L412 VanDerWaalsContact O-N 3.14Å
409	I	49.1	Very low	50	Low	117 Å²	117	115 Å²	115	60%	0.6	60%	0.599	S	S	*	*	H	α-helix	trans	-74.5	-39.8	-179.4	-60.8	177.9	0	0	0	110.6	I407 L412	I407-I409 PolarHBondContact O-N 3.41Å; I409-L412 PolarHBondContact O-N 3.4Å
410	I	53.2	Low	50.8	Low	118 Å²	118	113.3 Å²	113.3	61%	0.605	59%	0.59	S	S	*	*	H	α-helix	trans	-69.5	-37.4	177.7	-63.2	179.3	0	0	0	110.4	I407 L412 L414	I407-I410 PolarHBondContact O-N 3.25Å; I410-L412 VanDerWaalsContact C-N 3.34Å; I410-L412 PolarHBondContact O-N 3.17Å; I410-L414 PolarHBondContact O-N 3.01Å
411	L	50.5	Low	51.7	Low	88 Å²	88	110.3 Å²	110.3	46%	0.461	57%	0.574	S	S	.	*	H	α-helix	trans	-67.8	-29.1	175.3	-106.2	130.5	0	0	0	113.6	I407 L414 L415	I407-L411 HydrophobicContact CG2-CD1 3.38Å; I407-L411 PolarHBondContact O-N 3.4Å; I407-L411 VanDerWaalsContact O-N 3.12Å; L411-L414 CarbonylContact O-C 3.57Å; L411-L414 PolarHBondContact O-N 3.14Å; L411-L415 WeakPolarHBondContact O-CB 3.24Å; L411-L415 PolarHBondContact O-N 3.37Å
412	L	51	Low	52.5	Low	100 Å²	100	109.1 Å²	109.1	52%	0.524	56%	0.561	S	S	.	*	H	α-helix	trans	-65.5	-41.3	178.1	-159.7	88.6	0	0	0	112.3	M408 I409 I410 L414 L415 I416	M408-L412 PolarHBondContact O-N 3.23Å; M408-L412 VanDerWaalsContact O-N 3.14Å; I409-L412 PolarHBondContact O-N 3.4Å; I410-L412 VanDerWaalsContact C-N 3.34Å; I410-L412 PolarHBondContact O-N 3.17Å; L412-L414 VanDerWaalsContact C-N 3.32Å; L412-L415 PolarHBondContact O-N 2.95Å; L412-I416 WeakPolarHBondContact O-CG1 3.38Å; L412-I416 PolarHBondContact O-N 3.2Å
413	L	52.4	Low	53.5	Low	128 Å²	128	111.8 Å²	111.8	67%	0.67	56%	0.555	S	S	*	*	H	α-helix	trans	-67.6	-33.5	174.2	-94.7	115	0	0	0	112.2	T417	L413-T417 PolarHBondContact O-N 3.27Å; L413-T417 PolarHBondContact O-OG1 2.92Å; L413-T417 VanDerWaalsContact O-OG1 3.04Å
414	L	54.5	Low	53.9	Low	108 Å²	108	110.4 Å²	110.4	57%	0.565	55%	0.548	S	S	*	.	H	α-helix	trans	-73	-30.2	175.7	-123.1	151	0	0	0	112.2	I410 L411 L412 T417 F418	I410-L414 PolarHBondContact O-N 3.01Å; L411-L414 CarbonylContact O-C 3.57Å; L411-L414 PolarHBondContact O-N 3.14Å; L412-L414 VanDerWaalsContact C-N 3.32Å; L414-T417 WeakPolarHBondContact CA-OG1 3.45Å; L414-T417 PolarHBondContact O-OG1 3.04Å; L414-F418 VanDerWaalsContact O-CB 3.26Å; L414-F418 WeakPolarHBondContact O-CB 3.45Å; L414-F418 PolarHBondContact O-N 3.23Å
415	L	52.3	Low	54.2	Low	79 Å²	79	109.9 Å²	109.9	41%	0.414	55%	0.547	S	S	.	.	H	α-helix	trans	-71.9	-39.8	176.8	-163.7	89	0	0	0	112.4	L411 L412 T417 F418 L419	L411-L415 WeakPolarHBondContact O-CB 3.24Å; L411-L415 PolarHBondContact O-N 3.37Å; L412-L415 PolarHBondContact O-N 2.95Å; L415-T417 VanDerWaalsContact C-N 3.33Å; L415-F418 PolarHBondContact O-N 3.18Å; L415-L419 HydrophobicContact CD2-CD1 4.36Å; L415-L419 HydrophobicContact CG-CD1 4.37Å; L415-L419 WeakPolarHBondContact O-CB 3.16Å; L415-L419 PolarHBondContact O-N 2.79Å
416	I	58.5	Low	54.5	Low	101 Å²	101	108.8 Å²	108.8	52%	0.518	53%	0.533	S	S	.	.	H	α-helix	trans	-65	-40.8	177.4	-66.6	167.7	0	0	0	110.4	L412 L420	L412-I416 WeakPolarHBondContact O-CG1 3.38Å; L412-I416 PolarHBondContact O-N 3.2Å; I416-L420 PolarHBondContact O-N 2.93Å
417	T	55.1	Low	54.9	Low	73 Å²	73	104.3 Å²	104.3	45%	0.448	52%	0.522	S	S	.	.	H	α-helix	trans	-69	-38.8	174.9	46.3	0	0	0	0	111.7	L413 L414 L415 L420 I421	L413-T417 PolarHBondContact O-N 3.27Å; L413-T417 PolarHBondContact O-OG1 2.92Å; L413-T417 VanDerWaalsContact O-OG1 3.04Å; L414-T417 WeakPolarHBondContact CA-OG1 3.45Å; L414-T417 PolarHBondContact O-OG1 3.04Å; L415-T417 VanDerWaalsContact C-N 3.33Å; T417-L420 PolarHBondContact O-N 3.37Å; T417-I421 WeakPolarHBondContact O-CD1 3.43Å; T417-I421 VanDerWaalsContact O-CG1 3.27Å; T417-I421 WeakPolarHBondContact O-CG1 3.49Å; T417-I421 PolarHBondContact O-N 3.15Å
418	F	56	Low	55	Low	124 Å²	124	104.9 Å²	104.9	54%	0.544	53%	0.526	S	S	.	.	H	α-helix	trans	-66.7	-36.6	174.4	-168.8	-94.7	0	0	0	113.2	L414 L415 I421 Y422	L414-F418 VanDerWaalsContact O-CB 3.26Å; L414-F418 WeakPolarHBondContact O-CB 3.45Å; L414-F418 PolarHBondContact O-N 3.23Å; L415-F418 PolarHBondContact O-N 3.18Å; F418-I421 CarbonylContact O-C 3.57Å; F418-I421 PolarHBondContact O-N 3.22Å; F418-Y422 VanDerWaalsContact O-CB 3.28Å; F418-Y422 WeakPolarHBondContact O-CB 3.17Å; F418-Y422 PolarHBondContact O-N 3.41Å
419	L	55.9	Low	55.3	Low	103 Å²	103	106.2 Å²	106.2	54%	0.539	53%	0.526	S	S	.	.	H	α-helix	trans	-67.2	-37.6	175.3	-84.6	163.5	0	0	0	112.2	L415 Y422 Y423	L415-L419 HydrophobicContact CD2-CD1 4.36Å; L415-L419 HydrophobicContact CG-CD1 4.37Å; L415-L419 WeakPolarHBondContact O-CB 3.16Å; L415-L419 PolarHBondContact O-N 2.79Å; L419-Y422 PolarHBondContact O-N 3.38Å; L419-Y423 WeakPolarHBondContact O-CB 3.5Å; L419-Y423 PolarHBondContact O-N 3.01Å
420	L	56.3	Low	55.5	Low	119 Å²	119	105.8 Å²	105.8	62%	0.623	52%	0.524	S	S	*	.	H	α-helix	trans	-64.2	-41.8	171.7	-79.2	165.2	0	0	0	111.5	I416 T417 L424	I416-L420 PolarHBondContact O-N 2.93Å; T417-L420 PolarHBondContact O-N 3.37Å; L420-L424 WeakPolarHBondContact O-CB 3.32Å; L420-L424 PolarHBondContact O-N 3.45Å; L420-L424 VanDerWaalsContact O-N 3.11Å
421	I	62.1	Low	55.6	Low	92 Å²	92	107.4 Å²	107.4	47%	0.472	53%	0.527	S	S	.	.	H	α-helix	trans	-67.6	-41.5	175.5	-67.7	164.4	0	0	0	111	T417 F418 L424 I425	T417-I421 WeakPolarHBondContact O-CD1 3.43Å; T417-I421 VanDerWaalsContact O-CG1 3.27Å; T417-I421 WeakPolarHBondContact O-CG1 3.49Å; T417-I421 PolarHBondContact O-N 3.15Å; F418-I421 CarbonylContact O-C 3.57Å; F418-I421 PolarHBondContact O-N 3.22Å; I421-L424 CarbonylContact O-C 3.44Å; I421-L424 WeakPolarHBondContact O-CA 3.39Å; I421-L424 WeakPolarHBondContact O-CB 3.26Å; I421-L424 PolarHBondContact O-N 3.35Å; I421-L424 VanDerWaalsContact O-N 3.14Å; I421-I425 HydrophobicContact CG2-CD1 3.6Å; I421-I425 HydrophobicContact CG2-CG1 4.15Å; I421-I425 WeakPolarHBondContact O-CB 3.4Å; I421-I425 VanDerWaalsContact O-CG1 3.27Å; I421-I425 WeakPolarHBondContact O-CG1 3.43Å; I421-I425 PolarHBondContact O-N 3.49Å
422	Y	61.6	Low	55.8	Low	122 Å²	122	110 Å²	110	48%	0.478	53%	0.532	S	S	.	.	H	α-helix	trans	-65.4	-40.3	177.5	-177.6	-95.7	0	0	0	111.6	F418 L419 L424 I425 L426	F418-Y422 VanDerWaalsContact O-CB 3.28Å; F418-Y422 WeakPolarHBondContact O-CB 3.17Å; F418-Y422 PolarHBondContact O-N 3.41Å; L419-Y422 PolarHBondContact O-N 3.38Å; Y422-L424 VanDerWaalsContact C-N 3.27Å; Y422-L424 PolarHBondContact O-N 2.98Å; Y422-I425 PolarHBondContact O-N 3.11Å; Y422-L426 VanDerWaalsContact O-CB 3.29Å; Y422-L426 WeakPolarHBondContact O-CB 3.29Å; Y422-L426 PolarHBondContact O-N 3.31Å
423	Y	60.6	Low	56	Low	167 Å²	167	108.5 Å²	108.5	66%	0.655	52%	0.522	S	S	*	.	H	α-helix	trans	-60.1	-40.2	171.8	-172.6	-95.4	0	0	0	111.1	L419 N427	L419-Y423 WeakPolarHBondContact O-CB 3.5Å; L419-Y423 PolarHBondContact O-N 3.01Å; Y423-N427 WeakPolarHBondContact O-CB 3.31Å; Y423-N427 PolarHBondContact O-N 3.26Å; Y423-N427 VanDerWaalsContact O-N 3.09Å
424	L	59.1	Low	56.1	Low	112 Å²	112	107.4 Å²	107.4	59%	0.586	52%	0.516	S	S	*	.	H	α-helix	trans	-69.1	-38.9	176.3	-147	132.3	0	0	0	112.3	L420 I421 Y422 L428	L420-L424 WeakPolarHBondContact O-CB 3.32Å; L420-L424 PolarHBondContact O-N 3.45Å; L420-L424 VanDerWaalsContact O-N 3.11Å; I421-L424 CarbonylContact O-C 3.44Å; I421-L424 WeakPolarHBondContact O-CA 3.39Å; I421-L424 WeakPolarHBondContact O-CB 3.26Å; I421-L424 PolarHBondContact O-N 3.35Å; I421-L424 VanDerWaalsContact O-N 3.14Å; Y422-L424 VanDerWaalsContact C-N 3.27Å; Y422-L424 PolarHBondContact O-N 2.98Å; L424-L428 HydrophobicContact CD2-CD1 3.96Å; L424-L428 WeakPolarHBondContact O-CB 3.25Å; L424-L428 WeakPolarHBondContact O-CG 3.31Å; L424-L428 PolarHBondContact O-N 3.4Å
425	I	55	Low	56.3	Low	88 Å²	88	104.3 Å²	104.3	45%	0.451	50%	0.504	S	S	.	.	H	α-helix	trans	-70	-41.2	175.7	-70	169.9	0	0	0	111.3	I421 Y422 N427 L428 Y429	I421-I425 HydrophobicContact CG2-CD1 3.6Å; I421-I425 HydrophobicContact CG2-CG1 4.15Å; I421-I425 WeakPolarHBondContact O-CB 3.4Å; I421-I425 VanDerWaalsContact O-CG1 3.27Å; I421-I425 WeakPolarHBondContact O-CG1 3.43Å; I421-I425 PolarHBondContact O-N 3.49Å; Y422-I425 PolarHBondContact O-N 3.11Å; I425-N427 VanDerWaalsContact C-N 3.3Å; I425-N427 PolarHBondContact O-N 3.42Å; I425-L428 CarbonylContact O-C 3.58Å; I425-L428 PolarHBondContact O-N 3.09Å; I425-Y429 WeakPolarHBondContact O-CB 3.39Å; I425-Y429 PolarHBondContact O-N 3.37Å
426	L	53.1	Low	56.5	Low	70 Å²	70	102.3 Å²	102.3	37%	0.366	49%	0.493	S	S	.	.	H	α-helix	trans	-64.8	-38.8	176.7	-172	73.1	0	0	0	110.5	Y422 Y429 L430	Y422-L426 VanDerWaalsContact O-CB 3.29Å; Y422-L426 WeakPolarHBondContact O-CB 3.29Å; Y422-L426 PolarHBondContact O-N 3.31Å; L426-Y429 PolarHBondContact O-N 3.09Å; L426-L430 WeakPolarHBondContact O-CB 3.3Å; L426-L430 PolarHBondContact O-N 3.41Å
427	N	55	Low	56.4	Low	98 Å²	98	102.3 Å²	102.3	52%	0.524	49%	0.493	S	S	.	.	H	α-helix	trans	-66.7	-39.7	174.5	-149.5	11.1	0	0	0	111.4	Y423 I425 K431	Y423-N427 WeakPolarHBondContact O-CB 3.31Å; Y423-N427 PolarHBondContact O-N 3.26Å; Y423-N427 VanDerWaalsContact O-N 3.09Å; I425-N427 VanDerWaalsContact C-N 3.3Å; I425-N427 PolarHBondContact O-N 3.42Å; N427-K431 WeakPolarHBondContact O-CB 3.2Å; N427-K431 PolarHBondContact O-N 3.19Å; N427-K431 VanDerWaalsContact O-N 3.09Å
428	L	56.1	Low	56.2	Low	96 Å²	96	101.8 Å²	101.8	50%	0.503	49%	0.487	S	S	.	.	H	α-helix	trans	-67.9	-34.2	171	-79.2	164	0	0	0	112.9	L424 I425 K431 Y432	L424-L428 HydrophobicContact CD2-CD1 3.96Å; L424-L428 WeakPolarHBondContact O-CB 3.25Å; L424-L428 WeakPolarHBondContact O-CG 3.31Å; L424-L428 PolarHBondContact O-N 3.4Å; I425-L428 CarbonylContact O-C 3.58Å; I425-L428 PolarHBondContact O-N 3.09Å; L428-K431 CarbonylContact O-C 3.56Å; L428-K431 WeakPolarHBondContact O-CB 3.31Å; L428-K431 PolarHBondContact O-N 3.44Å; L428-Y432 VanDerWaalsContact O-CB 3.24Å; L428-Y432 WeakPolarHBondContact O-CB 3.3Å; L428-Y432 PolarHBondContact O-N 3.37Å
429	Y	54	Low	56.1	Low	127 Å²	127	100.6 Å²	100.6	50%	0.498	49%	0.486	S	S	.	.	H	α-helix	trans	-74.2	-40.3	-179.9	-178.5	-98.7	0	0	0	111.3	I425 L426 K431 Y432 Q433	I425-Y429 WeakPolarHBondContact O-CB 3.39Å; I425-Y429 PolarHBondContact O-N 3.37Å; L426-Y429 PolarHBondContact O-N 3.09Å; Y429-K431 VanDerWaalsContact C-N 3.32Å; Y429-Y432 PolarHBondContact O-N 3.44Å; Y429-Q433 HydrophobicContact CD1-CG 4.09Å; Y429-Q433 HydrophobicContact CD2-CG 4.4Å; Y429-Q433 HydrophobicContact CE1-CG 3.6Å; Y429-Q433 HydrophobicContact CE2-CG 3.94Å; Y429-Q433 HydrophobicContact CG-CG 4.47Å; Y429-Q433 WeakPolarHBondContact O-CB 3.39Å; Y429-Q433 PolarHBondContact O-N 3.42Å; Y429-Q433 PolarHBondContact OH-NE2 3.38Å
430	L	52.8	Low	56	Low	108 Å²	108	101.5 Å²	101.5	57%	0.565	49%	0.492	S	S	*	.	H	α-helix	trans	-61.1	-42.9	168.4	-86.4	158.7	0	0	0	110.6	L426 Y432 L434	L426-L430 WeakPolarHBondContact O-CB 3.3Å; L426-L430 PolarHBondContact O-N 3.41Å; L430-Y432 VanDerWaalsContact C-N 3.32Å; L430-Y432 PolarHBondContact O-N 2.88Å; L430-L434 WeakPolarHBondContact O-CB 3.27Å; L430-L434 PolarHBondContact O-N 2.84Å
431	K	56	Low	55.7	Low	153 Å²	153	99 Å²	99	67%	0.665	48%	0.479	S	S	*	.	H	α-helix	trans	-62	-39.2	174.2	-163.9	177.8	-176.3	-178.8	0	112.2	N427 L428 Y429 S435	N427-K431 WeakPolarHBondContact O-CB 3.2Å; N427-K431 PolarHBondContact O-N 3.19Å; N427-K431 VanDerWaalsContact O-N 3.09Å; L428-K431 CarbonylContact O-C 3.56Å; L428-K431 WeakPolarHBondContact O-CB 3.31Å; L428-K431 PolarHBondContact O-N 3.44Å; Y429-K431 VanDerWaalsContact C-N 3.32Å; K431-S435 WeakPolarHBondContact O-CB 3.38Å; K431-S435 PolarHBondContact O-N 3.08Å; K431-S435 PolarHBondContact O-OG 3.42Å
432	Y	53.8	Low	54.7	Low	143 Å²	143	97.7 Å²	97.7	56%	0.561	47%	0.473	S	S	*	.	H	α-helix	trans	-74.9	-46	180	-177.7	-113.5	0	0	0	112.4	L428 Y429 L430 S435 I436	L428-Y432 VanDerWaalsContact O-CB 3.24Å; L428-Y432 WeakPolarHBondContact O-CB 3.3Å; L428-Y432 PolarHBondContact O-N 3.37Å; Y429-Y432 PolarHBondContact O-N 3.44Å; L430-Y432 VanDerWaalsContact C-N 3.32Å; L430-Y432 PolarHBondContact O-N 2.88Å; Y432-S435 WeakPolarHBondContact CA-OG 3.49Å; Y432-S435 CarbonylContact O-C 3.52Å; Y432-S435 WeakPolarHBondContact O-CA 3.41Å; Y432-S435 WeakPolarHBondContact O-CB 3.28Å; Y432-S435 PolarHBondContact O-N 2.78Å; Y432-S435 VanDerWaalsContact O-N 3.1Å; Y432-S435 PolarHBondContact O-OG 3.44Å; Y432-I436 HydrophobicContact CD1-CD1 3.48Å; Y432-I436 VanDerWaalsContact CD1-CD1 3.48Å; Y432-I436 HydrophobicContact CD1-CG1 4.41Å; Y432-I436 HydrophobicContact CD2-CD1 4.35Å; Y432-I436 HydrophobicContact CE1-CD1 3.08Å; Y432-I436 HydrophobicContact CE1-CG1 4.13Å; Y432-I436 HydrophobicContact CE2-CD1 4.01Å; Y432-I436 HydrophobicContact CE2-CG1 4.2Å; Y432-I436 HydrophobicContact CG-CD1 4.11Å; Y432-I436 WeakPolarHBondContact O-CG1 3.45Å; Y432-I436 PolarHBondContact O-N 3.05Å
433	Q	56.8	Low	54.1	Low	67 Å²	67	99.3 Å²	99.3	31%	0.313	49%	0.49	S	S	.	.	H	α-helix	trans	-65.3	-39.6	175.9	-77.9	-67.5	6.9	0	0	111.8	Y429 S435 I436 I437	Y429-Q433 HydrophobicContact CD1-CG 4.09Å; Y429-Q433 HydrophobicContact CD2-CG 4.4Å; Y429-Q433 HydrophobicContact CE1-CG 3.6Å; Y429-Q433 HydrophobicContact CE2-CG 3.94Å; Y429-Q433 HydrophobicContact CG-CG 4.47Å; Y429-Q433 WeakPolarHBondContact O-CB 3.39Å; Y429-Q433 PolarHBondContact O-N 3.42Å; Y429-Q433 PolarHBondContact OH-NE2 3.38Å; Q433-S435 VanDerWaalsContact C-N 3.3Å; Q433-S435 PolarHBondContact O-N 3.4Å; Q433-I436 PolarHBondContact O-N 3.12Å; Q433-I437 WeakPolarHBondContact O-CB 3.37Å; Q433-I437 VanDerWaalsContact O-CG1 3.24Å; Q433-I437 WeakPolarHBondContact O-CG1 3.24Å; Q433-I437 PolarHBondContact O-N 3Å
434	L	53.6	Low	53.6	Low	106 Å²	106	95.8 Å²	95.8	56%	0.555	48%	0.482	S	S	*	.	H	α-helix	trans	-60.9	-42.8	170.6	-161.8	76.5	0	0	0	110.2	L430 I436 I437 I438	L430-L434 WeakPolarHBondContact O-CB 3.27Å; L430-L434 PolarHBondContact O-N 2.84Å; L434-I436 PolarHBondContact O-N 3.05Å; L434-I437 PolarHBondContact O-N 3.47Å; L434-I438 HydrophobicContact CG-CD1 4.11Å; L434-I438 WeakPolarHBondContact O-CB 3.38Å; L434-I438 VanDerWaalsContact O-CD1 3.27Å; L434-I438 WeakPolarHBondContact O-CD1 3.18Å; L434-I438 WeakPolarHBondContact O-CG1 3.33Å; L434-I438 PolarHBondContact O-N 3.29Å
435	S	59.4	Low	53.4	Low	43 Å²	43	97 Å²	97	30%	0.301	49%	0.489	S	S	.	.	H	α-helix	trans	-65.8	-31.5	175.4	78.4	0	0	0	0	114.3	K431 Y432 Q433 N439	K431-S435 WeakPolarHBondContact O-CB 3.38Å; K431-S435 PolarHBondContact O-N 3.08Å; K431-S435 PolarHBondContact O-OG 3.42Å; Y432-S435 WeakPolarHBondContact CA-OG 3.49Å; Y432-S435 CarbonylContact O-C 3.52Å; Y432-S435 WeakPolarHBondContact O-CA 3.41Å; Y432-S435 WeakPolarHBondContact O-CB 3.28Å; Y432-S435 PolarHBondContact O-N 2.78Å; Y432-S435 VanDerWaalsContact O-N 3.1Å; Y432-S435 PolarHBondContact O-OG 3.44Å; Q433-S435 VanDerWaalsContact C-N 3.3Å; Q433-S435 PolarHBondContact O-N 3.4Å; S435-N439 VanDerWaalsContact O-CB 3.23Å; S435-N439 WeakPolarHBondContact O-CB 3.33Å; S435-N439 PolarHBondContact O-N 3.47Å
436	I	56.5	Low	53.1	Low	37 Å²	37	97 Å²	97	19%	0.19	49%	0.49	C	S	.	.	H	α-helix	trans	-75.4	-39.9	175	-70.1	163.8	0	0	0	110.6	Y432 Q433 L434 I438 N439 N440	Y432-I436 HydrophobicContact CD1-CD1 3.48Å; Y432-I436 VanDerWaalsContact CD1-CD1 3.48Å; Y432-I436 HydrophobicContact CD1-CG1 4.41Å; Y432-I436 HydrophobicContact CD2-CD1 4.35Å; Y432-I436 HydrophobicContact CE1-CD1 3.08Å; Y432-I436 HydrophobicContact CE1-CG1 4.13Å; Y432-I436 HydrophobicContact CE2-CD1 4.01Å; Y432-I436 HydrophobicContact CE2-CG1 4.2Å; Y432-I436 HydrophobicContact CG-CD1 4.11Å; Y432-I436 WeakPolarHBondContact O-CG1 3.45Å; Y432-I436 PolarHBondContact O-N 3.05Å; Q433-I436 PolarHBondContact O-N 3.12Å; L434-I436 PolarHBondContact O-N 3.05Å; I436-I438 PolarHBondContact O-N 2.83Å; I436-N439 PolarHBondContact O-N 3.12Å; I436-N440 HydrophobicContact CG2-CB 4.42Å; I436-N440 VanDerWaalsContact CG2-ND2 3.28Å; I436-N440 WeakPolarHBondContact CG2-ND2 3.43Å; I436-N440 VanDerWaalsContact O-CB 3.25Å; I436-N440 WeakPolarHBondContact O-CB 3.21Å; I436-N440 PolarHBondContact O-N 3.29Å
437	I	55.1	Low	53	Low	100 Å²	100	96 Å²	96	51%	0.513	48%	0.484	S	S	.	.	H	α-helix	trans	-62.9	-36.3	173.2	-67.4	164.9	0	0	0	109.9	Q433 L434	Q433-I437 WeakPolarHBondContact O-CB 3.37Å; Q433-I437 VanDerWaalsContact O-CG1 3.24Å; Q433-I437 WeakPolarHBondContact O-CG1 3.24Å; Q433-I437 PolarHBondContact O-N 3Å; L434-I437 PolarHBondContact O-N 3.47Å
438	I	51.1	Low	52.8	Low	62 Å²	62	93.8 Å²	93.8	32%	0.318	47%	0.472	S	S	.	.	H	α-helix	trans	-67.7	-43.3	171.5	-67.9	162.4	0	0	0	111.1	L434 I436 N442 I451	L434-I438 HydrophobicContact CG-CD1 4.11Å; L434-I438 WeakPolarHBondContact O-CB 3.38Å; L434-I438 VanDerWaalsContact O-CD1 3.27Å; L434-I438 WeakPolarHBondContact O-CD1 3.18Å; L434-I438 WeakPolarHBondContact O-CG1 3.33Å; L434-I438 PolarHBondContact O-N 3.29Å; I436-I438 PolarHBondContact O-N 2.83Å; I438-N442 PolarHBondContact O-OD1 3.44Å; I438-I451 HydrophobicContact CB-CD1 4.48Å; I438-I451 HydrophobicContact CG1-CD1 4.19Å; I438-I451 HydrophobicContact CG2-CD1 4.33Å
439	N	53.9	Low	52.7	Low	99 Å²	99	92.3 Å²	92.3	53%	0.529	47%	0.465	S	S	.	.	H	α-helix	trans	-83.9	-33.3	-174.1	-90.4	-11.6	0	0	0	115.5	S435 I436 N441 N442	S435-N439 VanDerWaalsContact O-CB 3.23Å; S435-N439 WeakPolarHBondContact O-CB 3.33Å; S435-N439 PolarHBondContact O-N 3.47Å; I436-N439 PolarHBondContact O-N 3.12Å; N439-N441 VanDerWaalsContact C-N 3.32Å; N439-N442 WeakPolarHBondContact CA-ND2 3.46Å; N439-N442 VanDerWaalsContact O-CB 3.28Å; N439-N442 WeakPolarHBondContact O-CB 3.3Å; N439-N442 PolarHBondContact O-N 3.45Å; N439-N442 PolarHBondContact O-ND2 2.88Å; N439-N442 VanDerWaalsContact O-ND2 3.09Å; N439-N442 PolarHBondContact OD1-ND2 3.5Å
440	N	53.3	Low	52.6	Low	123 Å²	123	88.5 Å²	88.5	66%	0.658	45%	0.453	S	S	*	.	H	α-helix	trans	-79.3	-16.6	-178.8	-79.5	-3.9	0	0	0	112.6	I436	I436-N440 HydrophobicContact CG2-CB 4.42Å; I436-N440 VanDerWaalsContact CG2-ND2 3.28Å; I436-N440 WeakPolarHBondContact CG2-ND2 3.43Å; I436-N440 VanDerWaalsContact O-CB 3.25Å; I436-N440 WeakPolarHBondContact O-CB 3.21Å; I436-N440 PolarHBondContact O-N 3.29Å
441	N	50.1	Low	52.6	Low	66 Å²	66	86 Å²	86	35%	0.353	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	7.9	173.1	-78	-22.5	0	0	0	113.7	N439 N443 N444 I447	N439-N441 VanDerWaalsContact C-N 3.32Å; N441-N443 PolarHBondContact O-N 3.28Å; N441-N444 PolarHBondContact O-N 2.94Å; N441-I447 HydrophobicContact CB-CD1 4.08Å; N441-I447 HydrophobicContact CB-CG2 4.21Å
442	N	42.1	Very low	52.6	Low	65 Å²	65	84.1 Å²	84.1	35%	0.348	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-6.9	176.4	-82.4	-29.8	0	0	0	114.9	I438 N439 N448	I438-N442 PolarHBondContact O-OD1 3.44Å; N439-N442 WeakPolarHBondContact CA-ND2 3.46Å; N439-N442 VanDerWaalsContact O-CB 3.28Å; N439-N442 WeakPolarHBondContact O-CB 3.3Å; N439-N442 PolarHBondContact O-N 3.45Å; N439-N442 PolarHBondContact O-ND2 2.88Å; N439-N442 VanDerWaalsContact O-ND2 3.09Å; N439-N442 PolarHBondContact OD1-ND2 3.5Å; N442-N448 PolarHBondContact OD1-ND2 3.44Å; N442-N448 PolarHBondContact OD1-OD1 3.34Å
443	N	48.5	Very low	52.7	Low	156 Å²	156	78.9 Å²	78.9	83%	0.834	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-5.3	174.5	-71.5	-15.8	0	0	0	113.9	N441	N441-N443 PolarHBondContact O-N 3.28Å
444	N	50.1	Low	52.8	Low	93 Å²	93	78.4 Å²	78.4	50%	0.497	42%	0.416	S	S	.	.			trans	-111.1	100.6	172.5	-79.3	-19.8	0	0	0	110.1	N441 L446 I447	N441-N444 PolarHBondContact O-N 2.94Å; N444-L446 PolarHBondContact O-N 3.45Å; N444-I447 HydrophobicContact CB-CD1 4.05Å; N444-I447 HydrophobicContact CB-CG1 4.17Å; N444-I447 PolarHBondContact O-N 3.45Å
445	N	54.2	Low	52.8	Low	136 Å²	136	78.4 Å²	78.4	73%	0.727	42%	0.417	S	S	*	.	H	α-helix	trans	-50.4	-21.4	174.8	-80.1	-14.7	0	0	0	114	N449	N445-N449 PolarHBondContact O-ND2 2.96Å
446	L	50	Low	52.6	Low	89 Å²	89	82.8 Å²	82.8	47%	0.466	43%	0.431	S	S	.	.	H	α-helix	trans	-71.8	-34.7	176.7	-82.1	159.9	0	0	0	113.9	N444 L450	N444-L446 PolarHBondContact O-N 3.45Å; L446-L450 WeakPolarHBondContact O-CD1 3.44Å
447	I	51.1	Low	52.5	Low	50 Å²	50	84 Å²	84	26%	0.256	44%	0.442	S	S	.	.	H	α-helix	trans	-82.3	-34.5	-174.5	-63.3	175.3	0	0	0	111	N441 N444 N449 L450 I451	N441-I447 HydrophobicContact CB-CD1 4.08Å; N441-I447 HydrophobicContact CB-CG2 4.21Å; N444-I447 HydrophobicContact CB-CD1 4.05Å; N444-I447 HydrophobicContact CB-CG1 4.17Å; N444-I447 PolarHBondContact O-N 3.45Å; I447-N449 VanDerWaalsContact C-N 3.27Å; I447-N449 PolarHBondContact O-N 3.43Å; I447-L450 PolarHBondContact O-N 2.62Å; I447-I451 HydrophobicContact CG2-CD1 3.8Å; I447-I451 HydrophobicContact CG2-CG1 4.23Å; I447-I451 WeakPolarHBondContact O-CG1 3.35Å; I447-I451 PolarHBondContact O-N 2.95Å
448	N	49.9	Very low	52.2	Low	50 Å²	50	85.6 Å²	85.6	27%	0.267	45%	0.45	S	S	.	.	H	α-helix	trans	-65.3	-28.7	176.7	-80.2	-5.5	0	0	0	113.4	N442 N452	N442-N448 PolarHBondContact OD1-ND2 3.44Å; N442-N448 PolarHBondContact OD1-OD1 3.34Å; N448-N452 PolarHBondContact O-ND2 3.46Å
449	N	54.4	Low	52.3	Low	66 Å²	66	84.9 Å²	84.9	35%	0.353	45%	0.45	S	S	.	.	H	α-helix	trans	-72.5	-36.6	171.3	-70.6	-20.7	0	0	0	111.5	N445 I447 N452 F453	N445-N449 PolarHBondContact O-ND2 2.96Å; I447-N449 VanDerWaalsContact C-N 3.27Å; I447-N449 PolarHBondContact O-N 3.43Å; N449-N452 PolarHBondContact O-N 2.83Å; N449-F453 HydrophobicContact CB-CE2 4.26Å; N449-F453 HydrophobicContact CB-CZ 4.49Å; N449-F453 WeakPolarHBondContact O-CD2 3.5Å; N449-F453 WeakPolarHBondContact O-CE2 3.31Å; N449-F453 WeakPolarHBondContact O-CG 3.49Å; N449-F453 WeakPolarHBondContact O-CZ 3.5Å
450	L	51.9	Low	52.2	Low	47 Å²	47	86.1 Å²	86.1	25%	0.246	46%	0.456	C	S	.	.	H	α-helix	trans	-72.2	-36.1	-178.9	-77.6	158	0	0	0	113.8	I362 L446 I447 N452 F453	I362-L450 HydrophobicContact CG2-CD1 3.78Å; L446-L450 WeakPolarHBondContact O-CD1 3.44Å; I447-L450 PolarHBondContact O-N 2.62Å; L450-N452 PolarHBondContact O-N 3.3Å; L450-F453 HydrophobicContact CD2-CD2 4.19Å; L450-F453 WeakPolarHBondContact O-CB 3.48Å; L450-F453 PolarHBondContact O-N 3.34Å
451	I	52.7	Low	52.6	Low	55 Å²	55	86 Å²	86	28%	0.282	46%	0.456	S	S	.	.	H	α-helix	trans	-63.2	-30.1	177.5	-67.4	164.5	0	0	0	111.2	I438 I447 F453	I438-I451 HydrophobicContact CB-CD1 4.48Å; I438-I451 HydrophobicContact CG1-CD1 4.19Å; I438-I451 HydrophobicContact CG2-CD1 4.33Å; I447-I451 HydrophobicContact CG2-CD1 3.8Å; I447-I451 HydrophobicContact CG2-CG1 4.23Å; I447-I451 WeakPolarHBondContact O-CG1 3.35Å; I447-I451 PolarHBondContact O-N 2.95Å; I451-F453 PolarHBondContact O-N 2.84Å
452	N	55.3	Low	53.4	Low	113 Å²	113	86.6 Å²	86.6	60%	0.604	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-11.7	175.5	-67.8	-23.2	0	0	0	113.9	N448 N449 L450	N448-N452 PolarHBondContact O-ND2 3.46Å; N449-N452 PolarHBondContact O-N 2.83Å; L450-N452 PolarHBondContact O-N 3.3Å
453	F	57.7	Low	54.4	Low	33 Å²	33	88.9 Å²	88.9	15%	0.145	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-7.8	-179.4	-55.8	-39.9	0	0	0	113.6	N449 L450 I451 D499 K502 I503	N449-F453 HydrophobicContact CB-CE2 4.26Å; N449-F453 HydrophobicContact CB-CZ 4.49Å; N449-F453 WeakPolarHBondContact O-CD2 3.5Å; N449-F453 WeakPolarHBondContact O-CE2 3.31Å; N449-F453 WeakPolarHBondContact O-CG 3.49Å; N449-F453 WeakPolarHBondContact O-CZ 3.5Å; L450-F453 HydrophobicContact CD2-CD2 4.19Å; L450-F453 WeakPolarHBondContact O-CB 3.48Å; L450-F453 PolarHBondContact O-N 3.34Å; I451-F453 PolarHBondContact O-N 2.84Å; F453-D499 PolarHBondContact O-N 2.84Å; F453-K502 HydrophobicContact CD1-CB 3.42Å; F453-K502 VanDerWaalsContact CD1-CB 3.42Å; F453-K502 HydrophobicContact CD1-CD 4.23Å; F453-K502 HydrophobicContact CD1-CG 4.45Å; F453-K502 HydrophobicContact CE1-CB 3.68Å; F453-K502 WeakPolarHBondContact CE1-O 3.42Å; F453-K502 HydrophobicContact CG-CB 4.5Å; F453-I503 HydrophobicContact CB-CD1 4.48Å; F453-I503 HydrophobicContact CB-CG1 4.06Å; F453-I503 HydrophobicContact CD1-CG1 4.45Å; F453-I503 HydrophobicContact CD2-CG1 3.82Å; F453-I503 HydrophobicContact CE2-CG1 4.4Å; F453-I503 HydrophobicContact CG-CG1 3.87Å
454	I	57.5	Low	55.4	Low	57 Å²	57	83.3 Å²	83.3	29%	0.292	44%	0.436	S	S	.	.	B	Isolated β-bridge	trans	-108.8	112.4	-177.2	-58.9	172.6	0	0	0	108.6	F456	I454-F456 HydrophobicContact CG2-CD2 3.18Å; I454-F456 HydrophobicContact CG2-CE2 3.23Å; I454-F456 HydrophobicContact CG2-CG 4.05Å; I454-F456 HydrophobicContact CG2-CZ 4.12Å; I454-F456 PolarHBondContact O-N 3.3Å
455	D	54.8	Low	56.2	Low	106 Å²	106	79 Å²	79	57%	0.567	41%	0.413	S	S	*	.			trans	-96.5	82.6	175.7	-166.7	-2.8	0	0	0	110.6	S457 I497	D455-S457 PolarHBondContact O-N 2.79Å; D455-I497 PolarHBondContact N-O 3.41Å
456	F	54.5	Low	56.9	Low	136 Å²	136	73.9 Å²	73.9	60%	0.596	39%	0.385	S	S	*	.			trans	-87.3	82.6	167.2	-77.7	-61.4	0	0	0	110.1	I454 I497	I454-F456 HydrophobicContact CG2-CD2 3.18Å; I454-F456 HydrophobicContact CG2-CE2 3.23Å; I454-F456 HydrophobicContact CG2-CG 4.05Å; I454-F456 HydrophobicContact CG2-CZ 4.12Å; I454-F456 PolarHBondContact O-N 3.3Å; F456-I497 HydrophobicContact CE1-CG2 4.36Å; F456-I497 HydrophobicContact CZ-CG2 4.27Å
457	S	53.6	Low	57.7	Low	61 Å²	61	73.7 Å²	73.7	43%	0.427	38%	0.378	S	S	.	.			trans	-62.1	151.5	158.7	52.4	0	0	0	0	110.3	D455 Y494	D455-S457 PolarHBondContact O-N 2.79Å; S457-Y494 VanDerWaalsContact O-CE1 3.24Å; S457-Y494 WeakPolarHBondContact O-CE1 3.46Å; S457-Y494 VanDerWaalsContact O-CZ 3.28Å; S457-Y494 PolarHBondContact O-OH 3Å; S457-Y494 VanDerWaalsContact OG-CE1 3.3Å; S457-Y494 WeakPolarHBondContact OG-CE1 3.42Å
458	I	49.3	Very low	58.6	Low	135 Å²	135	77.4 Å²	77.4	69%	0.692	39%	0.39	S	S	*	.			trans	-72.6	127.5	-179.7	-63.4	166.4	0	0	0	108.6	N460	I458-N460 PolarHBondContact O-N 3.27Å
459	P	52.8	Low	59.7	Low	47 Å²	47	79.7 Å²	79.7	31%	0.305	40%	0.398	S	S	.	.			trans	-70.2	109.5	-176.9	24.6	-28.5	0	0	0	109.7	I462 L492 Y494	P459-I462 HydrophobicContact CB-CD1 3.91Å; P459-I462 HydrophobicContact CB-CG1 3.72Å; P459-I462 HydrophobicContact CG-CD1 3.6Å; P459-I462 HydrophobicContact CG-CG1 4.03Å; P459-L492 HydrophobicContact CB-CD1 4.41Å; P459-L492 HydrophobicContact CB-CD2 4.38Å; P459-Y494 WeakPolarHBondContact CA-OH 3.35Å; P459-Y494 HydrophobicContact CB-CE2 4.11Å; P459-Y494 VanDerWaalsContact CB-OH 3.27Å; P459-Y494 WeakPolarHBondContact CB-OH 3.41Å; P459-Y494 WeakPolarHBondContact CD-OH 3.41Å; P459-Y494 VanDerWaalsContact N-OH 3.09Å
460	N	53.2	Low	60.5	Low	125 Å²	125	76.6 Å²	76.6	67%	0.668	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	145.3	171.1	-70.7	-26.9	0	0	0	109.2	I458 I462	I458-N460 PolarHBondContact O-N 3.27Å; N460-I462 PolarHBondContact O-N 3.32Å
461	N	61.4	Low	61.1	Low	120 Å²	120	77.9 Å²	77.9	64%	0.642	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.6	35.8	166.4	-72.1	-23.8	0	0	0	114.8	Y463 S464 T465	N461-Y463 VanDerWaalsContact C-N 3.35Å; N461-Y463 PolarHBondContact O-N 3.3Å; N461-S464 VanDerWaalsContact CB-OG 3.26Å; N461-S464 WeakPolarHBondContact CB-OG 3.37Å; N461-S464 PolarHBondContact O-N 2.86Å; N461-S464 PolarHBondContact O-OG 3.35Å; N461-T465 VanDerWaalsContact O-CB 3.32Å; N461-T465 WeakPolarHBondContact O-CB 3.44Å; N461-T465 PolarHBondContact O-N 2.73Å; N461-T465 PolarHBondContact O-OG1 3.44Å
462	I	66.4	Low	61.2	Low	78 Å²	78	85.5 Å²	85.5	40%	0.4	41%	0.411	S	S	.	.	H	α-helix	trans	-52.4	-52	177.6	-64.3	165.1	0	0	0	111.1	P459 N460 S464 T465 I466 L492	P459-I462 HydrophobicContact CB-CD1 3.91Å; P459-I462 HydrophobicContact CB-CG1 3.72Å; P459-I462 HydrophobicContact CG-CD1 3.6Å; P459-I462 HydrophobicContact CG-CG1 4.03Å; N460-I462 PolarHBondContact O-N 3.32Å; I462-S464 PolarHBondContact O-N 3.44Å; I462-T465 PolarHBondContact O-N 2.88Å; I462-I466 HydrophobicContact CG2-CD1 3.57Å; I462-I466 HydrophobicContact CG2-CG1 4.27Å; I462-I466 VanDerWaalsContact O-CG1 3.31Å; I462-I466 WeakPolarHBondContact O-CG1 3.23Å; I462-I466 PolarHBondContact O-N 2.9Å; I462-L492 HydrophobicContact CG1-CD2 4.23Å
463	Y	62.6	Low	61	Low	113 Å²	113	82.4 Å²	82.4	44%	0.443	40%	0.397	S	S	.	.	H	α-helix	trans	-60.4	-45.6	-178.6	176.1	-102.8	0	0	0	112.6	N461 T465 I466 R467 L698	N461-Y463 VanDerWaalsContact C-N 3.35Å; N461-Y463 PolarHBondContact O-N 3.3Å; Y463-T465 VanDerWaalsContact C-N 3.32Å; Y463-T465 PolarHBondContact O-N 3.02Å; Y463-I466 PolarHBondContact O-N 3Å; Y463-R467 WeakPolarHBondContact O-CB 3.48Å; Y463-R467 PolarHBondContact O-N 3.47Å; Y463-R467 PolarHBondContact OH-NH1 3.42Å; Y463-L698 HydrophobicContact CD2-CD1 4.49Å; Y463-L698 HydrophobicContact CD2-CD2 4.3Å; Y463-L698 HydrophobicContact CE2-CD1 4.16Å; Y463-L698 HydrophobicContact CE2-CD2 4.05Å
464	S	69	Low	60.5	Low	40 Å²	40	84.7 Å²	84.7	28%	0.28	41%	0.41	S	S	.	.	H	α-helix	trans	-72.5	-28.3	-179.6	65.1	0	0	0	0	112.2	N461 I462 Y468	N461-S464 VanDerWaalsContact CB-OG 3.26Å; N461-S464 WeakPolarHBondContact CB-OG 3.37Å; N461-S464 PolarHBondContact O-N 2.86Å; N461-S464 PolarHBondContact O-OG 3.35Å; I462-S464 PolarHBondContact O-N 3.44Å; S464-Y468 WeakPolarHBondContact O-CB 3.39Å; S464-Y468 WeakPolarHBondContact O-CD2 3.18Å; S464-Y468 PolarHBondContact O-N 3.04Å
465	T	67.8	Low	60	Low	3 Å²	3	88 Å²	88	2%	0.018	43%	0.427	C	S	.	.	I	π-helix	trans	-67.4	-49.1	171.5	-60.7	0	0	0	0	111	N461 I462 Y463 R467 K469 C470 L491 L492	N461-T465 VanDerWaalsContact O-CB 3.32Å; N461-T465 WeakPolarHBondContact O-CB 3.44Å; N461-T465 PolarHBondContact O-N 2.73Å; N461-T465 PolarHBondContact O-OG1 3.44Å; I462-T465 PolarHBondContact O-N 2.88Å; Y463-T465 VanDerWaalsContact C-N 3.32Å; Y463-T465 PolarHBondContact O-N 3.02Å; T465-R467 PolarHBondContact O-N 3.3Å; T465-K469 HydrophobicContact CG2-CB 4.25Å; T465-K469 HydrophobicContact CG2-CD 3.94Å; T465-K469 WeakPolarHBondContact O-CA 3.38Å; T465-K469 VanDerWaalsContact O-CB 3.3Å; T465-K469 WeakPolarHBondContact O-CB 3.19Å; T465-K469 PolarHBondContact O-N 3.16Å; T465-C470 PolarHBondContact O-N 3.49Å; T465-L491 HydrophobicContact CG2-CB 3.83Å; T465-L492 HydrophobicContact CG2-CD2 3.87Å; T465-L492 HydrophobicContact CG2-CG 4.16Å
466	I	69.1	Low	59.3	Low	28 Å²	28	89.9 Å²	89.9	14%	0.144	44%	0.436	C	S	.	.	I	π-helix	trans	-62.3	-43.6	176.5	-63.3	170.5	0	0	0	110.9	I462 Y463 C470 L488 L694 L698	I462-I466 HydrophobicContact CG2-CD1 3.57Å; I462-I466 HydrophobicContact CG2-CG1 4.27Å; I462-I466 VanDerWaalsContact O-CG1 3.31Å; I462-I466 WeakPolarHBondContact O-CG1 3.23Å; I462-I466 PolarHBondContact O-N 2.9Å; Y463-I466 PolarHBondContact O-N 3Å; I466-C470 VanDerWaalsContact O-CB 3.32Å; I466-C470 WeakPolarHBondContact O-CB 3.42Å; I466-L488 HydrophobicContact CG1-CD1 3.72Å; I466-L694 HydrophobicContact CG2-CB 4.3Å; I466-L698 HydrophobicContact CB-CD2 4.29Å; I466-L698 HydrophobicContact CG2-CB 4.18Å; I466-L698 HydrophobicContact CG2-CD2 3.66Å
467	R	67	Low	58.9	Low	84 Å²	84	90.3 Å²	90.3	32%	0.317	45%	0.445	S	S	.	.	I	π-helix	trans	-74.3	-47	-176	-172.6	178.4	-175	-173.8	7.1	113.7	Y463 T465 Q471 L698	Y463-R467 WeakPolarHBondContact O-CB 3.48Å; Y463-R467 PolarHBondContact O-N 3.47Å; Y463-R467 PolarHBondContact OH-NH1 3.42Å; T465-R467 PolarHBondContact O-N 3.3Å; R467-Q471 WeakPolarHBondContact O-CB 3.21Å; R467-Q471 PolarHBondContact O-OE1 2.82Å; R467-L698 HydrophobicContact CB-CD2 4.12Å
468	Y	70.8	Confident	58.5	Low	128 Å²	128	94.4 Å²	94.4	50%	0.502	46%	0.462	S	S	.	.	I	π-helix	trans	-105.8	-35.4	-169.4	-61.1	-67.7	0	0	0	113.6	S464	S464-Y468 WeakPolarHBondContact O-CB 3.39Å; S464-Y468 WeakPolarHBondContact O-CD2 3.18Å; S464-Y468 PolarHBondContact O-N 3.04Å
469	K	71.5	Confident	58.3	Low	98 Å²	98	94.6 Å²	94.6	43%	0.426	46%	0.464	S	S	.	.	I	π-helix	trans	-83.7	-40.2	-178	-67.2	178.5	170.7	-179.8	0	112	T465 Q471 L491	T465-K469 HydrophobicContact CG2-CB 4.25Å; T465-K469 HydrophobicContact CG2-CD 3.94Å; T465-K469 WeakPolarHBondContact O-CA 3.38Å; T465-K469 VanDerWaalsContact O-CB 3.3Å; T465-K469 WeakPolarHBondContact O-CB 3.19Å; T465-K469 PolarHBondContact O-N 3.16Å; K469-Q471 PolarHBondContact O-N 3.13Å; K469-L491 HydrophobicContact CB-CD2 4.29Å; K469-L491 HydrophobicContact CD-CD2 4.5Å; K469-L491 PolarHBondContact NZ-O 3.14Å; K469-L491 VanDerWaalsContact NZ-O 3.17Å
470	C	70.8	Confident	57.8	Low	1 Å²	1	101 Å²	101	1%	0.007	50%	0.496	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-7.1	172	-54.8	0	0	0	0	113.3	T465 I466 T473 C691 N695	T465-C470 PolarHBondContact O-N 3.49Å; I466-C470 VanDerWaalsContact O-CB 3.32Å; I466-C470 WeakPolarHBondContact O-CB 3.42Å; C470-T473 PolarHBondContact O-OG1 3.48Å; C470-C691 HydrophobicContact CB-CB 3.84Å; C470-C691 WeakPolarHBondContact CB-O 3.23Å; C470-C691 WeakPolarHBondContact CB-SG 3.32Å; C470-C691 VanDerWaalsContact SG-CA 3.59Å; C470-C691 WeakPolarHBondContact SG-CB 3.29Å; C470-C691 PolarHBondContact SG-O 3.49Å; C470-C691 VanDerWaalsContact SG-O 3.34Å; C470-C691 CovalentContact SG-SG 2.02Å; C470-C691 PolarHBondContact SG-SG 2.92Å; C470-N695 HydrophobicContact CB-CB 3.73Å; C470-N695 PolarHBondContact O-ND2 3.17Å
471	Q	64.9	Low	57.1	Low	74 Å²	74	103.7 Å²	103.7	35%	0.346	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-26.5	-179.5	-168.1	179	7.7	0	0	112.5	R467 K469 T473 I474 N695	R467-Q471 WeakPolarHBondContact O-CB 3.21Å; R467-Q471 PolarHBondContact O-OE1 2.82Å; K469-Q471 PolarHBondContact O-N 3.13Å; Q471-T473 PolarHBondContact O-N 3.16Å; Q471-T473 VanDerWaalsContact O-N 3.15Å; Q471-I474 PolarHBondContact O-N 2.82Å; Q471-N695 WeakPolarHBondContact CA-ND2 3.36Å; Q471-N695 WeakPolarHBondContact CB-ND2 3.29Å; Q471-N695 PolarHBondContact N-ND2 3.48Å; Q471-N695 VanDerWaalsContact N-ND2 3.19Å
472	R	55.2	Low	56	Low	215 Å²	215	102.7 Å²	102.7	81%	0.811	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-14.4	-174.7	-94.9	-175.6	172.5	-177.4	-1.7	114.4
473	T	51.3	Low	54.8	Low	49 Å²	49	105.9 Å²	105.9	30%	0.301	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-16.2	-179.4	30.8	0	0	0	0	114	C470 Q471 Y486 D692	C470-T473 PolarHBondContact O-OG1 3.48Å; Q471-T473 PolarHBondContact O-N 3.16Å; Q471-T473 VanDerWaalsContact O-N 3.15Å; T473-Y486 HydrophobicContact CG2-CD2 4.38Å; T473-D692 PolarHBondContact OG1-OD1 2.99Å
474	I	47.5	Very low	54.1	Low	81 Å²	81	108 Å²	108	42%	0.415	53%	0.526	S	S	.	.	S	Bend	trans	-98.6	-18.6	-171.7	-59.2	175.2	0	0	0	113.6	Q471	Q471-I474 PolarHBondContact O-N 2.82Å
475	I	45.8	Very low	53.5	Low	127 Å²	127	111.1 Å²	111.1	65%	0.651	54%	0.54	S	S	*	.	S	Bend	trans	-94.1	-9.7	-167	-59.5	176.9	0	0	0	113.9	N477	I475-N477 PolarHBondContact O-N 3.32Å
476	N	41.6	Very low	53.1	Low	144 Å²	144	116.1 Å²	116.1	77%	0.77	56%	0.559	S	S	*	*			trans	-100.9	64.6	178.9	-85.4	-9.8	0	0	0	113.1	N478	N476-N478 VanDerWaalsContact C-N 3.26Å; N476-N478 PolarHBondContact O-N 3.37Å
477	N	45.4	Very low	52.8	Low	145 Å²	145	115.2 Å²	115.2	78%	0.775	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	4.7	177.1	-93.8	-9.1	0	0	0	115.4	I475	I475-N477 PolarHBondContact O-N 3.32Å
478	N	45.7	Very low	52.8	Low	147 Å²	147	112 Å²	112	79%	0.786	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.6	11.7	-170.5	-80.2	-0.2	0	0	0	116.6	N476	N476-N478 VanDerWaalsContact C-N 3.26Å; N476-N478 PolarHBondContact O-N 3.37Å
479	N	45.1	Very low	52.5	Low	139 Å²	139	106.9 Å²	106.9	74%	0.743	53%	0.526	S	S	*	.	S	Bend	trans	-144.8	129	173.8	-75	-50	0	0	0	111.4	K481	N479-K481 PolarHBondContact O-N 3.42Å
480	N	41.6	Very low	52.3	Low	181 Å²	181	106.7 Å²	106.7	97%	0.968	53%	0.525	S	S	*	.			trans	-58.8	55.3	178.4	-72.2	-21.6	0	0	0	115
481	K	38.3	Very low	52	Low	183 Å²	183	108.3 Å²	108.3	80%	0.796	53%	0.533	S	S	*	.			trans	-111	102.1	170.8	-78.9	-175.6	175.4	-180	0	108.4	N479 N483	N479-K481 PolarHBondContact O-N 3.42Å; K481-N483 PolarHBondContact O-N 2.93Å
482	T	38.8	Very low	51.9	Low	98 Å²	98	106.1 Å²	106.1	60%	0.601	52%	0.524	S	S	*	.			trans	3.5	107.2	159.4	52.5	0	0	0	0	114.4	Y484	T482-Y484 VanDerWaalsContact C-N 3.31Å; T482-Y484 VanDerWaalsContact O-CD2 3.31Å; T482-Y484 WeakPolarHBondContact O-CD2 3.28Å; T482-Y484 PolarHBondContact O-N 3.05Å; T482-Y484 WeakPolarHBondContact OG1-CE2 3.38Å
483	N	40.3	Very low	52.2	Low	146 Å²	146	101.8 Å²	101.8	78%	0.781	52%	0.517	S	S	*	.			trans	-56.6	92.8	167.3	-87.6	-11.5	0	0	0	109.2	K481 N485	K481-N483 PolarHBondContact O-N 2.93Å; N483-N485 PolarHBondContact O-N 3.11Å
484	Y	49.1	Very low	52.6	Low	156 Å²	156	100.7 Å²	100.7	61%	0.612	51%	0.507	S	S	*	.			trans	-75.4	103.4	166.9	-74.4	-77.4	0	0	0	107.4	T482 Y486	T482-Y484 VanDerWaalsContact C-N 3.31Å; T482-Y484 VanDerWaalsContact O-CD2 3.31Å; T482-Y484 WeakPolarHBondContact O-CD2 3.28Å; T482-Y484 PolarHBondContact O-N 3.05Å; T482-Y484 WeakPolarHBondContact OG1-CE2 3.38Å; Y484-Y486 VanDerWaalsContact C-N 3.33Å; Y484-Y486 WeakPolarHBondContact O-CD2 3.14Å; Y484-Y486 PolarHBondContact O-N 3.09Å
485	N	55.2	Low	52.9	Low	107 Å²	107	101.9 Å²	101.9	57%	0.572	52%	0.518	S	S	*	.			trans	-65	94.6	167	-76.6	-10.9	0	0	0	108	N483	N483-N485 PolarHBondContact O-N 3.11Å
486	Y	59.9	Low	53.5	Low	107 Å²	107	100.4 Å²	100.4	42%	0.42	51%	0.509	S	S	.	.			trans	-73.4	129	174.2	-70	-82.2	0	0	0	109.7	T473 Y484 K490 C691	T473-Y486 HydrophobicContact CG2-CD2 4.38Å; Y484-Y486 VanDerWaalsContact C-N 3.33Å; Y484-Y486 WeakPolarHBondContact O-CD2 3.14Å; Y484-Y486 PolarHBondContact O-N 3.09Å; Y486-K490 HydrophobicContact CD1-CD 4.37Å; Y486-C691 WeakPolarHBondContact O-CB 3.47Å
487	S	64.1	Low	54.3	Low	9 Å²	9	94.6 Å²	94.6	6%	0.063	48%	0.477	C	S	.	.	B	Isolated β-bridge	trans	-65.5	143.5	169.2	72.3	0	0	0	0	109.9	I489 K490 L491	S487-I489 PolarHBondContact O-N 2.89Å; S487-K490 PolarHBondContact O-N 3.47Å; S487-K490 VanDerWaalsContact OG-CB 3.25Å; S487-K490 WeakPolarHBondContact OG-CB 3.33Å; S487-K490 PolarHBondContact OG-N 3.34Å; S487-L491 PolarHBondContact O-N 3.39Å
488	L	65.7	Low	55.2	Low	18 Å²	18	88.3 Å²	88.3	9%	0.094	44%	0.444	C	S	.	.	H	α-helix	trans	-53.2	-38.1	171.4	-176.9	78.2	0	0	0	110.6	I466 L491 L492 L689 L694	I466-L488 HydrophobicContact CG1-CD1 3.72Å; L488-L491 PolarHBondContact O-N 3.09Å; L488-L492 HydrophobicContact CD2-CD1 4.02Å; L488-L492 HydrophobicContact CG-CD1 3.82Å; L488-L492 HydrophobicContact CG-CG 4.33Å; L488-L492 WeakPolarHBondContact O-CB 3.41Å; L488-L492 VanDerWaalsContact O-CG 3.29Å; L488-L492 WeakPolarHBondContact O-CG 3.23Å; L488-L492 PolarHBondContact O-N 2.93Å; L488-L689 HydrophobicContact CB-CB 4.28Å; L488-L689 HydrophobicContact CD2-CD2 4.4Å; L488-L689 PolarHBondContact N-O 2.97Å; L488-L694 HydrophobicContact CB-CD1 4.39Å; L488-L694 HydrophobicContact CD1-CD1 4.17Å; L488-L694 HydrophobicContact CD2-CD1 3.65Å; L488-L694 HydrophobicContact CG-CD1 4.28Å
489	I	65.4	Low	56.2	Low	20 Å²	20	82.9 Å²	82.9	10%	0.103	41%	0.414	C	S	.	.	H	α-helix	trans	-57.5	-49	179.3	-71.7	160.6	0	0	0	111.4	S487 L491 L492 N493 Y494 I497 F685 L689	S487-I489 PolarHBondContact O-N 2.89Å; I489-L491 VanDerWaalsContact C-N 3.32Å; I489-L491 PolarHBondContact O-N 3.16Å; I489-L492 PolarHBondContact O-N 3.49Å; I489-N493 PolarHBondContact O-N 3.4Å; I489-Y494 HydrophobicContact CG2-CG 4.45Å; I489-Y494 WeakPolarHBondContact O-CB 3.41Å; I489-Y494 PolarHBondContact O-N 3.42Å; I489-Y494 VanDerWaalsContact O-N 3.09Å; I489-I497 HydrophobicContact CB-CD1 4.28Å; I489-I497 HydrophobicContact CD1-CD1 3.65Å; I489-I497 HydrophobicContact CG1-CD1 4.02Å; I489-I497 HydrophobicContact CG2-CD1 3.32Å; I489-I497 HydrophobicContact CG2-CG1 3.8Å; I489-F685 HydrophobicContact CD1-CB 3.7Å; I489-F685 HydrophobicContact CD1-CD1 3.35Å; I489-F685 HydrophobicContact CD1-CE1 4.15Å; I489-F685 HydrophobicContact CD1-CG 3.68Å; I489-L689 HydrophobicContact CD1-CD1 3.99Å; I489-L689 HydrophobicContact CG1-CD1 4.46Å
490	K	66	Low	57.3	Low	94 Å²	94	76.9 Å²	76.9	41%	0.409	38%	0.382	S	S	.	.	H	α-helix	trans	-64.6	-36.8	178.1	-170.2	164	-169	154.3	0	111.9	Y486 S487 L492 N493 E682	Y486-K490 HydrophobicContact CD1-CD 4.37Å; S487-K490 PolarHBondContact O-N 3.47Å; S487-K490 VanDerWaalsContact OG-CB 3.25Å; S487-K490 WeakPolarHBondContact OG-CB 3.33Å; S487-K490 PolarHBondContact OG-N 3.34Å; K490-L492 VanDerWaalsContact C-N 3.32Å; K490-N493 PolarHBondContact O-N 3.06Å; K490-E682 IonicContact NZ-OE2 3.34Å; K490-E682 PolarHBondContact NZ-OE2 3.1Å
491	L	66	Low	58.7	Low	35 Å²	35	71.4 Å²	71.4	18%	0.183	35%	0.352	C	S	.	.	H	α-helix	trans	-74.9	-21.9	178.6	-73.3	167.7	0	0	0	114	T465 K469 S487 L488 I489 C691	T465-L491 HydrophobicContact CG2-CB 3.83Å; K469-L491 HydrophobicContact CB-CD2 4.29Å; K469-L491 HydrophobicContact CD-CD2 4.5Å; K469-L491 PolarHBondContact NZ-O 3.14Å; K469-L491 VanDerWaalsContact NZ-O 3.17Å; S487-L491 PolarHBondContact O-N 3.39Å; L488-L491 PolarHBondContact O-N 3.09Å; I489-L491 VanDerWaalsContact C-N 3.32Å; I489-L491 PolarHBondContact O-N 3.16Å; L491-C691 HydrophobicContact CD1-CB 4.21Å; L491-C691 WeakPolarHBondContact CD1-SG 3.37Å
492	L	62.7	Low	60.2	Low	28 Å²	28	67.7 Å²	67.7	15%	0.147	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	9.9	169.7	-69.9	171.4	0	0	0	112.9	P459 I462 T465 L488 I489 K490 Y494	P459-L492 HydrophobicContact CB-CD1 4.41Å; P459-L492 HydrophobicContact CB-CD2 4.38Å; I462-L492 HydrophobicContact CG1-CD2 4.23Å; T465-L492 HydrophobicContact CG2-CD2 3.87Å; T465-L492 HydrophobicContact CG2-CG 4.16Å; L488-L492 HydrophobicContact CD2-CD1 4.02Å; L488-L492 HydrophobicContact CG-CD1 3.82Å; L488-L492 HydrophobicContact CG-CG 4.33Å; L488-L492 WeakPolarHBondContact O-CB 3.41Å; L488-L492 VanDerWaalsContact O-CG 3.29Å; L488-L492 WeakPolarHBondContact O-CG 3.23Å; L488-L492 PolarHBondContact O-N 2.93Å; I489-L492 PolarHBondContact O-N 3.49Å; K490-L492 VanDerWaalsContact C-N 3.32Å; L492-Y494 VanDerWaalsContact C-N 3.27Å; L492-Y494 HydrophobicContact CB-CD2 3.64Å; L492-Y494 HydrophobicContact CB-CE2 3.69Å; L492-Y494 HydrophobicContact CD1-CE2 4.25Å; L492-Y494 PolarHBondContact O-N 3.07Å
493	N	59.8	Low	61.7	Low	124 Å²	124	64.8 Å²	64.8	66%	0.663	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	18.6	-178.4	-76	6.6	0	0	0	115.4	I489 K490 T495	I489-N493 PolarHBondContact O-N 3.4Å; K490-N493 PolarHBondContact O-N 3.06Å; N493-T495 VanDerWaalsContact C-N 3.34Å; N493-T495 PolarHBondContact O-N 3.3Å
494	Y	61.4	Low	63.2	Low	26 Å²	26	58.2 Å²	58.2	10%	0.102	28%	0.282	C	S	.	.			trans	-79.6	88.8	166.2	-62.2	-76.8	0	0	0	108.6	S457 P459 I489 L492 Q496	S457-Y494 VanDerWaalsContact O-CE1 3.24Å; S457-Y494 WeakPolarHBondContact O-CE1 3.46Å; S457-Y494 VanDerWaalsContact O-CZ 3.28Å; S457-Y494 PolarHBondContact O-OH 3Å; S457-Y494 VanDerWaalsContact OG-CE1 3.3Å; S457-Y494 WeakPolarHBondContact OG-CE1 3.42Å; P459-Y494 WeakPolarHBondContact CA-OH 3.35Å; P459-Y494 HydrophobicContact CB-CE2 4.11Å; P459-Y494 VanDerWaalsContact CB-OH 3.27Å; P459-Y494 WeakPolarHBondContact CB-OH 3.41Å; P459-Y494 WeakPolarHBondContact CD-OH 3.41Å; P459-Y494 VanDerWaalsContact N-OH 3.09Å; I489-Y494 HydrophobicContact CG2-CG 4.45Å; I489-Y494 WeakPolarHBondContact O-CB 3.41Å; I489-Y494 PolarHBondContact O-N 3.42Å; I489-Y494 VanDerWaalsContact O-N 3.09Å; L492-Y494 VanDerWaalsContact C-N 3.27Å; L492-Y494 HydrophobicContact CB-CD2 3.64Å; L492-Y494 HydrophobicContact CB-CE2 3.69Å; L492-Y494 HydrophobicContact CD1-CE2 4.25Å; L492-Y494 PolarHBondContact O-N 3.07Å; Y494-Q496 VanDerWaalsContact C-N 3.32Å
495	T	53.8	Low	64.5	Low	105 Å²	105	55 Å²	55	64%	0.644	27%	0.269	S	S	*	.	S	Bend	trans	-76.9	-21.4	176.6	48.8	0	0	0	0	112.3	N493	N493-T495 VanDerWaalsContact C-N 3.34Å; N493-T495 PolarHBondContact O-N 3.3Å
496	Q	57.2	Low	65.3	Low	97 Å²	97	50.8 Å²	50.8	45%	0.453	25%	0.248	S	C	.	.			trans	-149.3	89.7	-178.7	-67.1	175.3	-19.4	0	0	109.5	Y494 I498	Y494-Q496 VanDerWaalsContact C-N 3.32Å; Q496-I498 PolarHBondContact O-N 3.41Å
497	I	59.2	Low	66	Low	21 Å²	21	50.1 Å²	50.1	11%	0.108	26%	0.259	C	S	.	.	S	Bend	trans	-61.9	-35.6	172.6	-66.7	174.1	0	0	0	110	D455 F456 I489 F685	D455-I497 PolarHBondContact N-O 3.41Å; F456-I497 HydrophobicContact CE1-CG2 4.36Å; F456-I497 HydrophobicContact CZ-CG2 4.27Å; I489-I497 HydrophobicContact CB-CD1 4.28Å; I489-I497 HydrophobicContact CD1-CD1 3.65Å; I489-I497 HydrophobicContact CG1-CD1 4.02Å; I489-I497 HydrophobicContact CG2-CD1 3.32Å; I489-I497 HydrophobicContact CG2-CG1 3.8Å; I497-F685 HydrophobicContact CB-CE2 4.14Å; I497-F685 HydrophobicContact CB-CZ 4.22Å; I497-F685 HydrophobicContact CD1-CD1 3.92Å; I497-F685 HydrophobicContact CD1-CD2 3.88Å; I497-F685 HydrophobicContact CD1-CE1 3.66Å; I497-F685 HydrophobicContact CD1-CE2 3.64Å; I497-F685 HydrophobicContact CD1-CG 4.03Å; I497-F685 HydrophobicContact CD1-CZ 3.53Å; I497-F685 HydrophobicContact CG1-CE2 4.36Å; I497-F685 HydrophobicContact CG1-CZ 4.46Å; I497-F685 HydrophobicContact CG2-CZ 4.17Å
498	I	63.4	Low	66.3	Low	13 Å²	13	52.5 Å²	52.5	7%	0.067	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-124.6	121.1	-178	-56.1	166	0	0	0	107.4	F363 Q496 F500 I503 F681	F363-I498 HydrophobicContact CD2-CD1 4.41Å; F363-I498 HydrophobicContact CE2-CD1 3.39Å; F363-I498 HydrophobicContact CZ-CD1 3.83Å; Q496-I498 PolarHBondContact O-N 3.41Å; I498-F500 HydrophobicContact CB-CD2 4.46Å; I498-F500 HydrophobicContact CB-CE1 4.45Å; I498-F500 HydrophobicContact CB-CE2 3.98Å; I498-F500 HydrophobicContact CB-CZ 3.95Å; I498-F500 HydrophobicContact CD1-CZ 3.95Å; I498-F500 HydrophobicContact CG2-CD1 4.01Å; I498-F500 HydrophobicContact CG2-CD2 4.32Å; I498-F500 HydrophobicContact CG2-CE1 3.74Å; I498-F500 HydrophobicContact CG2-CE2 4.08Å; I498-F500 HydrophobicContact CG2-CG 4.28Å; I498-F500 HydrophobicContact CG2-CZ 3.75Å; I498-F500 PolarHBondContact O-N 3.02Å; I498-I503 HydrophobicContact CG2-CD1 3.47Å; I498-I503 VanDerWaalsContact CG2-CD1 3.47Å; I498-F681 HydrophobicContact CD1-CD1 3.86Å; I498-F681 HydrophobicContact CD1-CE1 3.77Å; I498-F681 HydrophobicContact CD1-CZ 4.45Å
499	D	67.4	Low	66.5	Low	33 Å²	33	52.3 Å²	52.3	18%	0.176	27%	0.269	C	S	.	.			trans	-83.3	88.6	171.8	-173.3	-18.1	0	0	0	109.3	F453 N501 K502 I503	F453-D499 PolarHBondContact O-N 2.84Å; D499-N501 PolarHBondContact O-N 3.3Å; D499-N501 WeakPolarHBondContact OD1-CB 3.49Å; D499-N501 PolarHBondContact OD1-N 3.3Å; D499-N501 VanDerWaalsContact OD1-N 3.14Å; D499-K502 HydrophobicContact CB-CB 4.25Å; D499-K502 HydrophobicContact CB-CD 4.03Å; D499-K502 HydrophobicContact CB-CG 4.25Å; D499-K502 PolarHBondContact O-N 2.82Å; D499-K502 VanDerWaalsContact O-N 3.15Å; D499-K502 PolarHBondContact OD1-N 3.05Å; D499-K502 VanDerWaalsContact OD1-N 3.1Å; D499-K502 WeakPolarHBondContact OD2-CD 3.06Å; D499-K502 WeakPolarHBondContact OD2-CE 3.29Å; D499-K502 VanDerWaalsContact OD2-CG 3.24Å; D499-K502 WeakPolarHBondContact OD2-CG 3.4Å; D499-K502 IonicContact OD2-NZ 2.82Å; D499-I503 PolarHBondContact O-N 3.2Å
500	F	68.2	Low	67.1	Low	14 Å²	14	53.3 Å²	53.3	6%	0.061	27%	0.274	C	S	.	.	H	α-helix	trans	-62.3	-25.1	179.1	-71.4	-70.4	0	0	0	113	I498 I503 L504 L677 N678 F681	I498-F500 HydrophobicContact CB-CD2 4.46Å; I498-F500 HydrophobicContact CB-CE1 4.45Å; I498-F500 HydrophobicContact CB-CE2 3.98Å; I498-F500 HydrophobicContact CB-CZ 3.95Å; I498-F500 HydrophobicContact CD1-CZ 3.95Å; I498-F500 HydrophobicContact CG2-CD1 4.01Å; I498-F500 HydrophobicContact CG2-CD2 4.32Å; I498-F500 HydrophobicContact CG2-CE1 3.74Å; I498-F500 HydrophobicContact CG2-CE2 4.08Å; I498-F500 HydrophobicContact CG2-CG 4.28Å; I498-F500 HydrophobicContact CG2-CZ 3.75Å; I498-F500 PolarHBondContact O-N 3.02Å; F500-I503 HydrophobicContact CD1-CD1 4.13Å; F500-I503 HydrophobicContact CE1-CD1 4.45Å; F500-I503 PolarHBondContact O-N 3.31Å; F500-L504 WeakPolarHBondContact O-CB 3.28Å; F500-L504 VanDerWaalsContact O-CG 3.28Å; F500-L504 WeakPolarHBondContact O-CG 3.04Å; F500-L504 PolarHBondContact O-N 3.08Å; F500-L677 HydrophobicContact CB-CB 4.37Å; F500-L677 HydrophobicContact CB-CD1 4.4Å; F500-L677 HydrophobicContact CD1-CB 3.88Å; F500-L677 HydrophobicContact CD1-CD1 3.7Å; F500-L677 HydrophobicContact CD1-CD2 4.48Å; F500-L677 HydrophobicContact CD1-CG 4.25Å; F500-L677 HydrophobicContact CD2-CB 3.84Å; F500-L677 HydrophobicContact CE1-CB 4.12Å; F500-L677 HydrophobicContact CE1-CD1 4.26Å; F500-L677 HydrophobicContact CE1-CD2 4.24Å; F500-L677 HydrophobicContact CE1-CG 4.46Å; F500-L677 HydrophobicContact CE2-CB 4.09Å; F500-L677 HydrophobicContact CG-CB 3.75Å; F500-L677 HydrophobicContact CG-CD1 4.14Å; F500-L677 HydrophobicContact CZ-CB 4.24Å; F500-N678 WeakPolarHBondContact CD2-OD1 3.31Å; F500-F681 HydrophobicContact CE1-CD2 4.13Å; F500-F681 AromaticContact CE1-CE2 3.9Å; F500-F681 HydrophobicContact CE1-CE2 3.9Å; F500-F681 HydrophobicContact CE1-CZ 4.38Å; F500-F681 HydrophobicContact CE2-CB 4.04Å; F500-F681 AromaticContact CE2-CD2 3.76Å; F500-F681 HydrophobicContact CE2-CD2 3.76Å; F500-F681 HydrophobicContact CE2-CE2 4.35Å; F500-F681 AromaticContact CE2-CG 3.89Å; F500-F681 HydrophobicContact CE2-CG 3.89Å; F500-F681 HydrophobicContact CZ-CB 4.25Å; F500-F681 HydrophobicContact CZ-CD1 4.09Å; F500-F681 AromaticContact CZ-CD2 3.22Å; F500-F681 HydrophobicContact CZ-CD2 3.22Å; F500-F681 HydrophobicContact CZ-CE1 4.24Å; F500-F681 AromaticContact CZ-CE2 3.39Å; F500-F681 HydrophobicContact CZ-CE2 3.39Å; F500-F681 AromaticContact CZ-CG 3.58Å; F500-F681 HydrophobicContact CZ-CG 3.58Å; F500-F681 AromaticContact CZ-CZ 3.9Å; F500-F681 HydrophobicContact CZ-CZ 3.9Å
501	N	71	Confident	67.8	Low	65 Å²	65	54.6 Å²	54.6	35%	0.348	28%	0.281	S	S	.	.	H	α-helix	trans	-64.9	-47.5	173.8	-69.4	-31.6	0	0	0	109.9	D499 I503 L504 Y505 S674	D499-N501 PolarHBondContact O-N 3.3Å; D499-N501 WeakPolarHBondContact OD1-CB 3.49Å; D499-N501 PolarHBondContact OD1-N 3.3Å; D499-N501 VanDerWaalsContact OD1-N 3.14Å; N501-I503 PolarHBondContact O-N 3.3Å; N501-L504 PolarHBondContact O-N 3.21Å; N501-Y505 HydrophobicContact CB-CD2 4.2Å; N501-Y505 WeakPolarHBondContact O-CB 3.46Å; N501-Y505 WeakPolarHBondContact O-CD2 3.12Å; N501-Y505 PolarHBondContact O-N 3.35Å; N501-S674 WeakPolarHBondContact OD1-CB 3.27Å; N501-S674 PolarHBondContact OD1-OG 2.83Å
502	K	70	Confident	68.2	Low	105 Å²	105	57 Å²	57	46%	0.457	29%	0.29	S	S	.	.	H	α-helix	trans	-61.5	-32	176.7	-74	176.5	-174.1	165.8	0	113.1	F453 D499 S506	F453-K502 HydrophobicContact CD1-CB 3.42Å; F453-K502 VanDerWaalsContact CD1-CB 3.42Å; F453-K502 HydrophobicContact CD1-CD 4.23Å; F453-K502 HydrophobicContact CD1-CG 4.45Å; F453-K502 HydrophobicContact CE1-CB 3.68Å; F453-K502 WeakPolarHBondContact CE1-O 3.42Å; F453-K502 HydrophobicContact CG-CB 4.5Å; D499-K502 HydrophobicContact CB-CB 4.25Å; D499-K502 HydrophobicContact CB-CD 4.03Å; D499-K502 HydrophobicContact CB-CG 4.25Å; D499-K502 PolarHBondContact O-N 2.82Å; D499-K502 VanDerWaalsContact O-N 3.15Å; D499-K502 PolarHBondContact OD1-N 3.05Å; D499-K502 VanDerWaalsContact OD1-N 3.1Å; D499-K502 WeakPolarHBondContact OD2-CD 3.06Å; D499-K502 WeakPolarHBondContact OD2-CE 3.29Å; D499-K502 VanDerWaalsContact OD2-CG 3.24Å; D499-K502 WeakPolarHBondContact OD2-CG 3.4Å; D499-K502 IonicContact OD2-NZ 2.82Å; K502-S506 WeakPolarHBondContact O-CB 3.35Å; K502-S506 PolarHBondContact O-N 2.79Å; K502-S506 VanDerWaalsContact O-N 3.12Å
503	I	68.9	Low	68.8	Low	37 Å²	37	56.1 Å²	56.1	19%	0.19	29%	0.285	C	S	.	.	H	α-helix	trans	-67.2	-57.5	174.3	-63.7	173.6	0	0	0	109.8	F453 I498 D499 F500 N501 Y505 S506 I509	F453-I503 HydrophobicContact CB-CD1 4.48Å; F453-I503 HydrophobicContact CB-CG1 4.06Å; F453-I503 HydrophobicContact CD1-CG1 4.45Å; F453-I503 HydrophobicContact CD2-CG1 3.82Å; F453-I503 HydrophobicContact CE2-CG1 4.4Å; F453-I503 HydrophobicContact CG-CG1 3.87Å; I498-I503 HydrophobicContact CG2-CD1 3.47Å; I498-I503 VanDerWaalsContact CG2-CD1 3.47Å; D499-I503 PolarHBondContact O-N 3.2Å; F500-I503 HydrophobicContact CD1-CD1 4.13Å; F500-I503 HydrophobicContact CE1-CD1 4.45Å; F500-I503 PolarHBondContact O-N 3.31Å; N501-I503 PolarHBondContact O-N 3.3Å; I503-Y505 VanDerWaalsContact C-N 3.3Å; I503-Y505 PolarHBondContact O-N 3.14Å; I503-S506 WeakPolarHBondContact O-CB 3.47Å; I503-S506 PolarHBondContact O-N 2.93Å; I503-S506 PolarHBondContact O-OG 3.09Å; I503-I509 HydrophobicContact CG2-CD1 3.84Å; I503-I509 WeakPolarHBondContact O-CD1 3.14Å
504	L	71.9	Confident	69.9	Low	9 Å²	9	53.8 Å²	53.8	5%	0.047	27%	0.273	C	S	.	.	H	α-helix	trans	-62	-33.6	-176.6	-71.3	171.4	0	0	0	113.2	F500 N501 I509 Q510 L670 T673 L677	F500-L504 WeakPolarHBondContact O-CB 3.28Å; F500-L504 VanDerWaalsContact O-CG 3.28Å; F500-L504 WeakPolarHBondContact O-CG 3.04Å; F500-L504 PolarHBondContact O-N 3.08Å; N501-L504 PolarHBondContact O-N 3.21Å; L504-I509 WeakPolarHBondContact O-CG2 3Å; L504-Q510 PolarHBondContact O-NE2 3.15Å; L504-L670 HydrophobicContact CB-CD2 4.25Å; L504-L670 HydrophobicContact CD2-CD2 4.08Å; L504-T673 HydrophobicContact CD1-CG2 4.41Å; L504-T673 HydrophobicContact CD2-CG2 4.29Å; L504-L677 HydrophobicContact CD1-CD1 4.43Å
505	Y	76.6	Confident	70.8	Confident	87 Å²	87	56.7 Å²	56.7	34%	0.341	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	10.7	176.8	-64.2	-73	0	0	0	113.4	N501 I503 Q667 L670 N671	N501-Y505 HydrophobicContact CB-CD2 4.2Å; N501-Y505 WeakPolarHBondContact O-CB 3.46Å; N501-Y505 WeakPolarHBondContact O-CD2 3.12Å; N501-Y505 PolarHBondContact O-N 3.35Å; I503-Y505 VanDerWaalsContact C-N 3.3Å; I503-Y505 PolarHBondContact O-N 3.14Å; Y505-Q667 PolarHBondContact OH-OE1 2.96Å; Y505-L670 HydrophobicContact CD1-CD1 4.45Å; Y505-L670 HydrophobicContact CE1-CD1 3.9Å; Y505-N671 PolarHBondContact OH-OD1 3.44Å
506	S	72.2	Confident	71.7	Confident	19 Å²	19	52.1 Å²	52.1	13%	0.133	26%	0.263	C	S	.	.	S	Bend	trans	-64.3	148.9	174.3	68	0	0	0	0	111.5	K502 I503 I508 I509 Q510	K502-S506 WeakPolarHBondContact O-CB 3.35Å; K502-S506 PolarHBondContact O-N 2.79Å; K502-S506 VanDerWaalsContact O-N 3.12Å; I503-S506 WeakPolarHBondContact O-CB 3.47Å; I503-S506 PolarHBondContact O-N 2.93Å; I503-S506 PolarHBondContact O-OG 3.09Å; S506-I508 PolarHBondContact O-N 3.23Å; S506-I508 VanDerWaalsContact O-N 3.14Å; S506-I509 PolarHBondContact O-N 3.46Å; S506-I509 VanDerWaalsContact O-N 3.14Å; S506-I509 WeakPolarHBondContact OG-CG1 3.41Å; S506-I509 PolarHBondContact OG-N 2.82Å; S506-Q510 WeakPolarHBondContact O-CB 3.38Å; S506-Q510 VanDerWaalsContact O-CG 3.31Å; S506-Q510 WeakPolarHBondContact O-CG 3.35Å; S506-Q510 PolarHBondContact O-N 3.29Å
507	S	75.6	Confident	72.8	Confident	94 Å²	94	47.8 Å²	47.8	66%	0.657	24%	0.244	S	C	*	.	H	α-helix	trans	-55.4	-34.3	179.9	55.1	0	0	0	0	113	Q511	S507-Q511 WeakPolarHBondContact O-CB 3.23Å; S507-Q511 PolarHBondContact O-N 3.42Å
508	I	70.7	Confident	73.9	Confident	59 Å²	59	49.6 Å²	49.6	30%	0.303	25%	0.253	S	S	.	.	H	α-helix	trans	-68.1	-47.6	179.3	-59.1	170.1	0	0	0	111	S506 Q511 K512	S506-I508 PolarHBondContact O-N 3.23Å; S506-I508 VanDerWaalsContact O-N 3.14Å; I508-Q511 PolarHBondContact O-N 3.4Å; I508-K512 PolarHBondContact O-N 3.19Å; I508-K512 VanDerWaalsContact O-N 3.1Å
509	I	69.6	Low	74.7	Confident	13 Å²	13	51.7 Å²	51.7	7%	0.067	27%	0.269	C	S	.	.	H	α-helix	trans	-67.8	-44.4	179	-66.2	-167.6	0	0	0	109.9	Y359 I503 L504 S506 Q511 K512 I513	Y359-I509 HydrophobicContact CE1-CD1 4.4Å; Y359-I509 HydrophobicContact CE1-CG1 4.33Å; Y359-I509 HydrophobicContact CE2-CD1 4.42Å; Y359-I509 HydrophobicContact CE2-CG1 4.37Å; I503-I509 HydrophobicContact CG2-CD1 3.84Å; I503-I509 WeakPolarHBondContact O-CD1 3.14Å; L504-I509 WeakPolarHBondContact O-CG2 3Å; S506-I509 PolarHBondContact O-N 3.46Å; S506-I509 VanDerWaalsContact O-N 3.14Å; S506-I509 WeakPolarHBondContact OG-CG1 3.41Å; S506-I509 PolarHBondContact OG-N 2.82Å; I509-Q511 VanDerWaalsContact C-N 3.29Å; I509-Q511 PolarHBondContact O-N 2.89Å; I509-K512 PolarHBondContact O-N 3.02Å; I509-I513 HydrophobicContact CG2-CD1 3.66Å; I509-I513 HydrophobicContact CG2-CG1 4.21Å; I509-I513 WeakPolarHBondContact O-CB 3.39Å; I509-I513 VanDerWaalsContact O-CG1 3.26Å; I509-I513 WeakPolarHBondContact O-CG1 3.11Å; I509-I513 PolarHBondContact O-N 3.37Å
510	Q	78.5	Confident	75	Confident	41 Å²	41	50.1 Å²	50.1	19%	0.192	26%	0.261	C	S	.	.	H	α-helix	trans	-61.8	-36.7	177.1	-66.6	-62.2	-43.3	0	0	112.3	L504 S506 N514	L504-Q510 PolarHBondContact O-NE2 3.15Å; S506-Q510 WeakPolarHBondContact O-CB 3.38Å; S506-Q510 VanDerWaalsContact O-CG 3.31Å; S506-Q510 WeakPolarHBondContact O-CG 3.35Å; S506-Q510 PolarHBondContact O-N 3.29Å; Q510-N514 VanDerWaalsContact O-CB 3.29Å; Q510-N514 WeakPolarHBondContact O-CB 3.4Å; Q510-N514 PolarHBondContact O-N 3.4Å; Q510-N514 PolarHBondContact O-ND2 3.49Å
511	Q	79.1	Confident	75.5	Confident	122 Å²	122	49.5 Å²	49.5	57%	0.57	26%	0.258	S	S	*	.	H	α-helix	trans	-64.4	-47.8	173.6	-175.2	176.7	-3	0	0	111.6	S507 I508 I509 I513 N514 D515	S507-Q511 WeakPolarHBondContact O-CB 3.23Å; S507-Q511 PolarHBondContact O-N 3.42Å; I508-Q511 PolarHBondContact O-N 3.4Å; I509-Q511 VanDerWaalsContact C-N 3.29Å; I509-Q511 PolarHBondContact O-N 2.89Å; Q511-I513 VanDerWaalsContact C-N 3.32Å; Q511-I513 PolarHBondContact O-N 3.41Å; Q511-N514 PolarHBondContact O-N 3.47Å; Q511-N514 VanDerWaalsContact O-N 3.17Å; Q511-D515 WeakPolarHBondContact O-CB 3.24Å; Q511-D515 VanDerWaalsContact O-CG 3.23Å; Q511-D515 PolarHBondContact O-N 3.47Å
512	K	74.4	Confident	75.9	Confident	84 Å²	84	49.9 Å²	49.9	37%	0.365	26%	0.26	S	S	.	.	H	α-helix	trans	-60.4	-41.7	176.4	-75.1	-174.8	174	-176.7	0	112.6	I508 I509 D515 A516	I508-K512 PolarHBondContact O-N 3.19Å; I508-K512 VanDerWaalsContact O-N 3.1Å; I509-K512 PolarHBondContact O-N 3.02Å; K512-D515 PolarHBondContact O-N 3.25Å; K512-A516 WeakPolarHBondContact O-CB 2.88Å; K512-A516 PolarHBondContact O-N 2.82Å
513	I	76.5	Confident	76.2	Confident	10 Å²	10	47.9 Å²	47.9	5%	0.051	25%	0.251	C	S	.	.	H	α-helix	trans	-60.4	-48.7	174.5	-71.4	173	0	0	0	109.8	F354 I509 Q511 D515 A516 V517 I666 L670	F354-I513 HydrophobicContact CE1-CD1 4.15Å; F354-I513 HydrophobicContact CE1-CG1 4.02Å; F354-I513 HydrophobicContact CZ-CD1 4.35Å; F354-I513 HydrophobicContact CZ-CG1 3.98Å; I509-I513 HydrophobicContact CG2-CD1 3.66Å; I509-I513 HydrophobicContact CG2-CG1 4.21Å; I509-I513 WeakPolarHBondContact O-CB 3.39Å; I509-I513 VanDerWaalsContact O-CG1 3.26Å; I509-I513 WeakPolarHBondContact O-CG1 3.11Å; I509-I513 PolarHBondContact O-N 3.37Å; Q511-I513 VanDerWaalsContact C-N 3.32Å; Q511-I513 PolarHBondContact O-N 3.41Å; I513-D515 VanDerWaalsContact C-N 3.35Å; I513-D515 PolarHBondContact O-N 2.86Å; I513-A516 PolarHBondContact O-N 3.22Å; I513-V517 HydrophobicContact CG2-CG2 4.37Å; I513-V517 WeakPolarHBondContact O-CB 3.14Å; I513-V517 WeakPolarHBondContact O-CG2 3.1Å; I513-V517 PolarHBondContact O-N 3.12Å; I513-I666 HydrophobicContact CD1-CG2 4.5Å; I513-I666 HydrophobicContact CG2-CD1 3.93Å; I513-I666 HydrophobicContact CG2-CG2 3.69Å; I513-L670 HydrophobicContact CD1-CD1 4.19Å; I513-L670 HydrophobicContact CD1-CD2 3.89Å; I513-L670 HydrophobicContact CD1-CG 4.48Å
514	N	82.9	Confident	76.3	Confident	76 Å²	76	46.7 Å²	46.7	41%	0.406	25%	0.245	S	C	.	.	H	α-helix	trans	-62.2	-40.4	178.9	-74.2	-32.3	0	0	0	112.4	Q510 Q511 V517 N518	Q510-N514 VanDerWaalsContact O-CB 3.29Å; Q510-N514 WeakPolarHBondContact O-CB 3.4Å; Q510-N514 PolarHBondContact O-N 3.4Å; Q510-N514 PolarHBondContact O-ND2 3.49Å; Q511-N514 PolarHBondContact O-N 3.47Å; Q511-N514 VanDerWaalsContact O-N 3.17Å; N514-V517 PolarHBondContact O-N 2.88Å; N514-N518 WeakPolarHBondContact O-CB 3.35Å; N514-N518 PolarHBondContact O-N 3.43Å; N514-N518 PolarHBondContact O-ND2 3.34Å; N514-N518 VanDerWaalsContact O-ND2 3.09Å
515	D	80	Confident	76.4	Confident	87 Å²	87	47.1 Å²	47.1	47%	0.465	25%	0.248	S	C	.	.	H	α-helix	trans	-64.9	-41.7	176.8	-67.8	-19.8	0	0	0	111.1	Q511 K512 I513 N518 S519	Q511-D515 WeakPolarHBondContact O-CB 3.24Å; Q511-D515 VanDerWaalsContact O-CG 3.23Å; Q511-D515 PolarHBondContact O-N 3.47Å; K512-D515 PolarHBondContact O-N 3.25Å; I513-D515 VanDerWaalsContact C-N 3.35Å; I513-D515 PolarHBondContact O-N 2.86Å; D515-N518 PolarHBondContact O-N 2.98Å; D515-S519 VanDerWaalsContact O-CB 3.26Å; D515-S519 WeakPolarHBondContact O-CB 3.33Å; D515-S519 PolarHBondContact O-N 2.99Å
516	A	73.4	Confident	76.3	Confident	9 Å²	9	48.3 Å²	48.3	7%	0.074	26%	0.26	C	S	.	.	H	α-helix	trans	-65.7	-40.9	175.4	0	0	0	0	0	112.5	S353 K512 I513 S520	S353-A516 WeakPolarHBondContact OG-CB 3.45Å; K512-A516 WeakPolarHBondContact O-CB 2.88Å; K512-A516 PolarHBondContact O-N 2.82Å; I513-A516 PolarHBondContact O-N 3.22Å; A516-S520 WeakPolarHBondContact O-CB 3.15Å; A516-S520 PolarHBondContact O-N 3.04Å; A516-S520 PolarHBondContact O-OG 2.66Å
517	V	78.5	Confident	76.2	Confident	6 Å²	6	49.3 Å²	49.3	4%	0.036	26%	0.263	C	S	.	.	H	α-helix	trans	-62	-50.9	174.3	169.5	0	0	0	0	110.3	I513 N514 S519 S520 I521 F662 I666	I513-V517 HydrophobicContact CG2-CG2 4.37Å; I513-V517 WeakPolarHBondContact O-CB 3.14Å; I513-V517 WeakPolarHBondContact O-CG2 3.1Å; I513-V517 PolarHBondContact O-N 3.12Å; N514-V517 PolarHBondContact O-N 2.88Å; V517-S519 PolarHBondContact O-N 3.37Å; V517-S520 PolarHBondContact O-N 2.7Å; V517-I521 HydrophobicContact CG1-CD1 3.58Å; V517-I521 HydrophobicContact CG1-CG1 4.27Å; V517-I521 WeakPolarHBondContact O-CB 3.36Å; V517-I521 VanDerWaalsContact O-CG1 3.26Å; V517-I521 WeakPolarHBondContact O-CG1 3.5Å; V517-I521 PolarHBondContact O-N 3.49Å; V517-F662 HydrophobicContact CG1-CB 4.13Å; V517-F662 HydrophobicContact CG1-CD1 4.28Å; V517-F662 HydrophobicContact CG1-CG 4.4Å; V517-F662 HydrophobicContact CG2-CD1 4.21Å; V517-I666 HydrophobicContact CG2-CD1 3.09Å
518	N	82.7	Confident	75.8	Confident	59 Å²	59	49.3 Å²	49.3	32%	0.316	26%	0.255	S	S	.	.	H	α-helix	trans	-61.3	-44.4	179.9	-72.2	-33.4	0	0	0	111.3	N514 D515 S520 I521 D522	N514-N518 WeakPolarHBondContact O-CB 3.35Å; N514-N518 PolarHBondContact O-N 3.43Å; N514-N518 PolarHBondContact O-ND2 3.34Å; N514-N518 VanDerWaalsContact O-ND2 3.09Å; D515-N518 PolarHBondContact O-N 2.98Å; N518-S520 VanDerWaalsContact C-N 3.34Å; N518-S520 PolarHBondContact O-N 3.47Å; N518-I521 PolarHBondContact O-N 3.19Å; N518-D522 WeakPolarHBondContact O-CB 3.22Å; N518-D522 PolarHBondContact O-N 3.11Å
519	S	80	Confident	75.5	Confident	56 Å²	56	47.1 Å²	47.1	39%	0.392	24%	0.244	S	C	.	.	H	α-helix	trans	-59.4	-43.2	174.9	-179.8	0	0	0	0	112.2	D515 V517 D522 K523	D515-S519 VanDerWaalsContact O-CB 3.26Å; D515-S519 WeakPolarHBondContact O-CB 3.33Å; D515-S519 PolarHBondContact O-N 2.99Å; V517-S519 PolarHBondContact O-N 3.37Å; S519-D522 PolarHBondContact O-N 3.19Å; S519-K523 WeakPolarHBondContact O-CB 3.46Å; S519-K523 WeakPolarHBondContact O-CG 3.45Å; S519-K523 PolarHBondContact O-N 2.96Å
520	S	74.5	Confident	75.3	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.007	27%	0.268	C	S	.	.	H	α-helix	trans	-66.6	-43.3	177.8	-58.7	0	0	0	0	111.9	A516 V517 N518 K523 I524	A516-S520 WeakPolarHBondContact O-CB 3.15Å; A516-S520 PolarHBondContact O-N 3.04Å; A516-S520 PolarHBondContact O-OG 2.66Å; V517-S520 PolarHBondContact O-N 2.7Å; N518-S520 VanDerWaalsContact C-N 3.34Å; N518-S520 PolarHBondContact O-N 3.47Å; S520-K523 PolarHBondContact O-N 3.46Å; S520-I524 VanDerWaalsContact O-CG1 3.31Å; S520-I524 WeakPolarHBondContact O-CG1 3.05Å; S520-I524 PolarHBondContact O-N 2.93Å
521	I	78.1	Confident	74.7	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61.1	-46.4	175.1	-72.5	174.1	0	0	0	110.4	V517 N518 K523 I524 I525 K655 I658 R659	V517-I521 HydrophobicContact CG1-CD1 3.58Å; V517-I521 HydrophobicContact CG1-CG1 4.27Å; V517-I521 WeakPolarHBondContact O-CB 3.36Å; V517-I521 VanDerWaalsContact O-CG1 3.26Å; V517-I521 WeakPolarHBondContact O-CG1 3.5Å; V517-I521 PolarHBondContact O-N 3.49Å; N518-I521 PolarHBondContact O-N 3.19Å; I521-K523 VanDerWaalsContact C-N 3.31Å; I521-K523 PolarHBondContact O-N 3.46Å; I521-I524 PolarHBondContact O-N 3.1Å; I521-I524 VanDerWaalsContact O-N 3.08Å; I521-I525 HydrophobicContact CG2-CD1 3.48Å; I521-I525 VanDerWaalsContact CG2-CD1 3.48Å; I521-I525 HydrophobicContact CG2-CG1 4.2Å; I521-I525 VanDerWaalsContact O-CG1 3.32Å; I521-I525 WeakPolarHBondContact O-CG1 3.41Å; I521-I525 PolarHBondContact O-N 3.42Å; I521-K655 HydrophobicContact CG2-CD 4.35Å; I521-K655 HydrophobicContact CG2-CG 3.94Å; I521-I658 HydrophobicContact CD1-CG2 4.48Å; I521-I658 HydrophobicContact CG1-CG2 3.86Å; I521-R659 HydrophobicContact CD1-CB 4.33Å; I521-R659 HydrophobicContact CD1-CG 4.47Å
522	D	80.4	Confident	73.9	Confident	73 Å²	73	53.7 Å²	53.7	39%	0.39	28%	0.276	S	S	.	.	H	α-helix	trans	-64.7	-36.9	179.6	-70.4	-18.7	0	0	0	111.2	N518 S519 I524 I525 N526	N518-D522 WeakPolarHBondContact O-CB 3.22Å; N518-D522 PolarHBondContact O-N 3.11Å; S519-D522 PolarHBondContact O-N 3.19Å; D522-I524 VanDerWaalsContact C-N 3.31Å; D522-I524 PolarHBondContact O-N 3.46Å; D522-I525 PolarHBondContact O-N 3.14Å; D522-N526 VanDerWaalsContact O-CB 3.23Å; D522-N526 WeakPolarHBondContact O-CB 3.33Å; D522-N526 PolarHBondContact O-N 3.09Å; D522-N526 PolarHBondContact O-ND2 3.07Å
523	K	75	Confident	73.5	Confident	64 Å²	64	50.5 Å²	50.5	28%	0.278	26%	0.262	S	S	.	.	H	α-helix	trans	-62.4	-36.5	171.7	-77.2	-177	178.4	-157.2	0	112.6	E345 N349 S519 S520 I521 M527	E345-K523 IonicContact OE1-NZ 3.95Å; E345-K523 PolarHBondContact OE1-NZ 3.5Å; N349-K523 VanDerWaalsContact CG-NZ 3.28Å; N349-K523 WeakPolarHBondContact ND2-CD 3.03Å; N349-K523 PolarHBondContact ND2-NZ 2.81Å; N349-K523 PolarHBondContact OD1-NZ 3.24Å; S519-K523 WeakPolarHBondContact O-CB 3.46Å; S519-K523 WeakPolarHBondContact O-CG 3.45Å; S519-K523 PolarHBondContact O-N 2.96Å; S520-K523 PolarHBondContact O-N 3.46Å; I521-K523 VanDerWaalsContact C-N 3.31Å; I521-K523 PolarHBondContact O-N 3.46Å; K523-M527 VanDerWaalsContact O-CG 3.31Å; K523-M527 WeakPolarHBondContact O-CG 3.4Å
524	I	70.7	Confident	72.8	Confident	11 Å²	11	51.6 Å²	51.6	6%	0.056	27%	0.27	C	S	.	.	H	α-helix	trans	-72.9	-44.9	176.2	-63.5	163.4	0	0	0	111.4	L211 Y215 S520 I521 D522 N526 M527 I658 F662	L211-I524 HydrophobicContact CD1-CD1 4.24Å; Y215-I524 VanDerWaalsContact OH-CG2 3.31Å; Y215-I524 WeakPolarHBondContact OH-CG2 3.09Å; S520-I524 VanDerWaalsContact O-CG1 3.31Å; S520-I524 WeakPolarHBondContact O-CG1 3.05Å; S520-I524 PolarHBondContact O-N 2.93Å; I521-I524 PolarHBondContact O-N 3.1Å; I521-I524 VanDerWaalsContact O-N 3.08Å; D522-I524 VanDerWaalsContact C-N 3.31Å; D522-I524 PolarHBondContact O-N 3.46Å; I524-N526 VanDerWaalsContact C-N 3.3Å; I524-N526 PolarHBondContact O-N 2.96Å; I524-M527 HydrophobicContact CB-CE 4.37Å; I524-M527 HydrophobicContact CG1-CE 4Å; I524-M527 VanDerWaalsContact O-CB 3.25Å; I524-M527 WeakPolarHBondContact O-CB 3.37Å; I524-M527 VanDerWaalsContact O-CG 3.29Å; I524-M527 WeakPolarHBondContact O-CG 3.37Å; I524-M527 PolarHBondContact O-N 3.12Å; I524-M527 VanDerWaalsContact O-N 3.12Å; I524-I658 HydrophobicContact CB-CD1 4.18Å; I524-I658 HydrophobicContact CD1-CG2 4.37Å; I524-I658 HydrophobicContact CG2-CD1 3.53Å; I524-F662 HydrophobicContact CD1-CE2 4.01Å; I524-F662 HydrophobicContact CD1-CZ 3.95Å
525	I	75.7	Confident	71.9	Confident	19 Å²	19	53.1 Å²	53.1	10%	0.097	29%	0.286	C	S	.	.	H	α-helix	trans	-66	-34.4	-179.9	-66.7	168.3	0	0	0	111.8	I521 D522 M527 R651 L654 K655	I521-I525 HydrophobicContact CG2-CD1 3.48Å; I521-I525 VanDerWaalsContact CG2-CD1 3.48Å; I521-I525 HydrophobicContact CG2-CG1 4.2Å; I521-I525 VanDerWaalsContact O-CG1 3.32Å; I521-I525 WeakPolarHBondContact O-CG1 3.41Å; I521-I525 PolarHBondContact O-N 3.42Å; D522-I525 PolarHBondContact O-N 3.14Å; I525-M527 PolarHBondContact O-N 2.72Å; I525-R651 HydrophobicContact CG2-CB 3.89Å; I525-R651 HydrophobicContact CG2-CG 3.87Å; I525-L654 HydrophobicContact CB-CD2 4.33Å; I525-L654 HydrophobicContact CG1-CD2 3.97Å; I525-L654 HydrophobicContact CG1-CG 4.22Å; I525-K655 HydrophobicContact CD1-CB 3.69Å; I525-K655 HydrophobicContact CD1-CD 3.97Å; I525-K655 HydrophobicContact CD1-CG 3.97Å
526	N	74.6	Confident	71.2	Confident	112 Å²	112	53.7 Å²	53.7	60%	0.599	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	1	177.7	-68	-32	0	0	0	113.2	D522 I524 N528	D522-N526 VanDerWaalsContact O-CB 3.23Å; D522-N526 WeakPolarHBondContact O-CB 3.33Å; D522-N526 PolarHBondContact O-N 3.09Å; D522-N526 PolarHBondContact O-ND2 3.07Å; I524-N526 VanDerWaalsContact C-N 3.3Å; I524-N526 PolarHBondContact O-N 2.96Å; N526-N528 PolarHBondContact O-N 2.98Å
527	M	69.5	Low	70.9	Confident	40 Å²	40	53.6 Å²	53.6	20%	0.197	29%	0.288	C	S	.	.	S	Bend	trans	-65.2	131.8	168.5	-63.2	-177.7	-173.4	0	0	108.7	K342 K523 I524 I525 L529	K342-M527 HydrophobicContact CB-CE 3.51Å; K342-M527 HydrophobicContact CD-CE 3.59Å; K342-M527 HydrophobicContact CG-CE 3.34Å; K342-M527 HydrophobicContact CG-SD 4.19Å; K523-M527 VanDerWaalsContact O-CG 3.31Å; K523-M527 WeakPolarHBondContact O-CG 3.4Å; I524-M527 HydrophobicContact CB-CE 4.37Å; I524-M527 HydrophobicContact CG1-CE 4Å; I524-M527 VanDerWaalsContact O-CB 3.25Å; I524-M527 WeakPolarHBondContact O-CB 3.37Å; I524-M527 VanDerWaalsContact O-CG 3.29Å; I524-M527 WeakPolarHBondContact O-CG 3.37Å; I524-M527 PolarHBondContact O-N 3.12Å; I524-M527 VanDerWaalsContact O-N 3.12Å; I525-M527 PolarHBondContact O-N 2.72Å; M527-L529 HydrophobicContact CB-CD2 3.89Å; M527-L529 HydrophobicContact CB-CG 4Å; M527-L529 PolarHBondContact O-N 3.38Å; M527-L529 HydrophobicContact SD-CD2 4.47Å
528	N	66.9	Low	70.4	Confident	93 Å²	93	59.7 Å²	59.7	50%	0.497	32%	0.32	S	S	.	.			trans	-74.2	65.2	172.6	-165.2	13.9	0	0	0	109.8	N526 E530 E531	N526-N528 PolarHBondContact O-N 2.98Å; N528-E530 PolarHBondContact O-N 3.36Å; N528-E530 VanDerWaalsContact O-N 3.14Å; N528-E531 HydrophobicContact CB-CB 4.35Å; N528-E531 WeakPolarHBondContact ND2-CB 3.38Å; N528-E531 PolarHBondContact ND2-OE2 3.18Å; N528-E531 WeakPolarHBondContact O-CB 3.26Å; N528-E531 PolarHBondContact O-N 2.8Å
529	L	65.2	Low	69.7	Low	13 Å²	13	59 Å²	59	7%	0.068	32%	0.32	C	S	.	.	H	α-helix	trans	-60.5	-22.3	-178.7	-63.6	177.9	0	0	0	111.7	M527 E531 I532 F644 L654	M527-L529 HydrophobicContact CB-CD2 3.89Å; M527-L529 HydrophobicContact CB-CG 4Å; M527-L529 PolarHBondContact O-N 3.38Å; M527-L529 HydrophobicContact SD-CD2 4.47Å; L529-E531 VanDerWaalsContact C-N 3.33Å; L529-I532 HydrophobicContact CD2-CD1 3.98Å; L529-I532 WeakPolarHBondContact O-CB 3.35Å; L529-I532 PolarHBondContact O-N 3.34Å; L529-F644 HydrophobicContact CB-CZ 4.35Å; L529-F644 HydrophobicContact CD1-CZ 4.45Å; L529-F644 HydrophobicContact CD2-CZ 4.43Å; L529-L654 HydrophobicContact CD1-CD2 4.2Å
530	E	64.5	Low	69	Low	122 Å²	122	56.9 Å²	56.9	57%	0.57	30%	0.304	S	S	*	.	H	α-helix	trans	-64.8	-34	174.7	-69.3	-175.8	-178.8	0	0	112.8	N528 I532 I533	N528-E530 PolarHBondContact O-N 3.36Å; N528-E530 VanDerWaalsContact O-N 3.14Å; E530-I532 PolarHBondContact O-N 2.79Å; E530-I533 PolarHBondContact O-N 2.99Å
531	E	65.7	Low	68.9	Low	154 Å²	154	57.5 Å²	57.5	72%	0.72	31%	0.308	S	S	*	.	H	α-helix	trans	-70.3	-18.7	178.6	-168.5	171.6	-177.5	0	0	112.6	N528 L529	N528-E531 HydrophobicContact CB-CB 4.35Å; N528-E531 WeakPolarHBondContact ND2-CB 3.38Å; N528-E531 PolarHBondContact ND2-OE2 3.18Å; N528-E531 WeakPolarHBondContact O-CB 3.26Å; N528-E531 PolarHBondContact O-N 2.8Å; L529-E531 VanDerWaalsContact C-N 3.33Å
532	I	63.2	Low	68.6	Low	39 Å²	39	60 Å²	60	20%	0.2	33%	0.325	C	S	.	.	H	α-helix	trans	-84.2	-26.3	-179.8	-53.2	-179.6	0	0	0	110.9	I335 L338 L529 E530	I335-I532 HydrophobicContact CB-CG2 4.15Å; I335-I532 HydrophobicContact CD1-CG2 3.39Å; I335-I532 HydrophobicContact CG1-CG2 3.3Å; I335-I532 HydrophobicContact CG2-CG2 4.26Å; L338-I532 HydrophobicContact CD1-CD1 3.93Å; L338-I532 HydrophobicContact CD1-CG1 4.21Å; L529-I532 HydrophobicContact CD2-CD1 3.98Å; L529-I532 WeakPolarHBondContact O-CB 3.35Å; L529-I532 PolarHBondContact O-N 3.34Å; E530-I532 PolarHBondContact O-N 2.79Å
533	I	64.6	Low	68	Low	17 Å²	17	58.2 Å²	58.2	9%	0.087	32%	0.315	C	S	.	.	S	Bend	trans	-75.1	128.2	177.1	-59.7	170.8	0	0	0	107.6	E530 S535 F644 K645	E530-I533 PolarHBondContact O-N 2.99Å; I533-S535 PolarHBondContact O-N 3.46Å; I533-S535 VanDerWaalsContact O-N 3.07Å; I533-F644 HydrophobicContact CD1-CD1 3.92Å; I533-F644 HydrophobicContact CD1-CE1 4.15Å; I533-F644 HydrophobicContact CG1-CD1 3.89Å; I533-F644 HydrophobicContact CG1-CE1 3.93Å; I533-K645 HydrophobicContact CD1-CB 3.74Å; I533-K645 HydrophobicContact CD1-CG 3.88Å
534	P	62.4	Low	67.7	Low	32 Å²	32	55.4 Å²	55.4	21%	0.208	30%	0.304	C	S	.	.			trans	-54.8	122.8	176.1	-22.2	33	0	0	0	109.1	D536 L537	P534-D536 PolarHBondContact O-N 2.86Å; P534-L537 PolarHBondContact O-N 3.19Å; P534-L537 VanDerWaalsContact O-N 3.12Å
535	S	63.5	Low	67.8	Low	108 Å²	108	62.8 Å²	62.8	76%	0.755	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-28.7	179.1	56.2	0	0	0	0	111.8	I533 L537	I533-S535 PolarHBondContact O-N 3.46Å; I533-S535 VanDerWaalsContact O-N 3.07Å; S535-L537 PolarHBondContact O-N 3.2Å
536	D	65.5	Low	67.7	Low	99 Å²	99	67.3 Å²	67.3	53%	0.529	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	33	-172.9	-49.5	-17.3	0	0	0	111.7	P534 D538 S539 L540	P534-D536 PolarHBondContact O-N 2.86Å; D536-D538 PolarHBondContact O-N 3.32Å; D536-D538 VanDerWaalsContact O-N 3.13Å; D536-S539 VanDerWaalsContact CB-OG 3.23Å; D536-S539 WeakPolarHBondContact CB-OG 3.5Å; D536-S539 WeakPolarHBondContact O-CA 3.32Å; D536-S539 VanDerWaalsContact O-CB 3.26Å; D536-S539 WeakPolarHBondContact O-CB 3.36Å; D536-S539 PolarHBondContact O-N 3.42Å; D536-S539 PolarHBondContact O-OG 2.67Å; D536-L540 PolarHBondContact O-N 3.44Å
537	L	67.8	Low	67.4	Low	7 Å²	7	62.2 Å²	62.2	4%	0.037	32%	0.323	C	S	.	.	H	α-helix	trans	-52.3	-33.6	174	-171.4	70.1	0	0	0	112.1	P534 S535 S539 L540 T541 L641 N642	P534-L537 PolarHBondContact O-N 3.19Å; P534-L537 VanDerWaalsContact O-N 3.12Å; S535-L537 PolarHBondContact O-N 3.2Å; L537-S539 VanDerWaalsContact C-N 3.33Å; L537-L540 HydrophobicContact CD1-CD2 4.36Å; L537-L540 WeakPolarHBondContact O-CB 3.35Å; L537-L540 PolarHBondContact O-N 2.94Å; L537-T541 WeakPolarHBondContact O-CB 3.48Å; L537-T541 PolarHBondContact O-N 2.74Å; L537-T541 PolarHBondContact O-OG1 3.02Å; L537-L641 HydrophobicContact CD1-CB 3.8Å; L537-L641 HydrophobicContact CD1-CD1 3.45Å; L537-L641 VanDerWaalsContact CD1-CD1 3.45Å; L537-L641 HydrophobicContact CD1-CG 4.25Å; L537-L641 HydrophobicContact CD2-CB 4.4Å; L537-N642 WeakPolarHBondContact CD2-OD1 3.22Å
538	D	68.4	Low	67.3	Low	134 Å²	134	61.3 Å²	61.3	72%	0.717	32%	0.321	S	S	*	.	H	α-helix	trans	-66.4	-35.3	174.3	-69.2	-27	0	0	0	112.1	D536 T541 S542	D536-D538 PolarHBondContact O-N 3.32Å; D536-D538 VanDerWaalsContact O-N 3.13Å; D538-T541 PolarHBondContact O-N 3.37Å; D538-S542 WeakPolarHBondContact O-CB 3.33Å; D538-S542 PolarHBondContact O-N 2.77Å
539	S	67.5	Low	67.5	Low	44 Å²	44	61.6 Å²	61.6	31%	0.308	33%	0.325	S	S	.	.	H	α-helix	trans	-66.1	-44.7	173.5	83.8	0	0	0	0	110.7	D536 L537 T541 S542 I543	D536-S539 VanDerWaalsContact CB-OG 3.23Å; D536-S539 WeakPolarHBondContact CB-OG 3.5Å; D536-S539 WeakPolarHBondContact O-CA 3.32Å; D536-S539 VanDerWaalsContact O-CB 3.26Å; D536-S539 WeakPolarHBondContact O-CB 3.36Å; D536-S539 PolarHBondContact O-N 3.42Å; D536-S539 PolarHBondContact O-OG 2.67Å; L537-S539 VanDerWaalsContact C-N 3.33Å; S539-T541 VanDerWaalsContact C-N 3.29Å; S539-T541 PolarHBondContact O-N 2.86Å; S539-S542 PolarHBondContact O-N 3.07Å; S539-I543 VanDerWaalsContact O-CB 3.25Å; S539-I543 WeakPolarHBondContact O-CB 3.36Å; S539-I543 VanDerWaalsContact O-CD1 3.25Å; S539-I543 WeakPolarHBondContact O-CD1 3.43Å; S539-I543 VanDerWaalsContact O-CG1 3.23Å; S539-I543 WeakPolarHBondContact O-CG1 3.42Å; S539-I543 PolarHBondContact O-N 3Å
540	L	66.3	Low	67.6	Low	13 Å²	13	64.4 Å²	64.4	7%	0.068	34%	0.336	C	S	.	.	H	α-helix	trans	-59.2	-43.9	176.4	-176	65.4	0	0	0	110.6	I328 D536 L537 I543 A544 F634 I637 L641	I328-L540 HydrophobicContact CD1-CD1 3.56Å; I328-L540 HydrophobicContact CD1-CD2 4.49Å; D536-L540 PolarHBondContact O-N 3.44Å; L537-L540 HydrophobicContact CD1-CD2 4.36Å; L537-L540 WeakPolarHBondContact O-CB 3.35Å; L537-L540 PolarHBondContact O-N 2.94Å; L540-I543 PolarHBondContact O-N 3.48Å; L540-A544 VanDerWaalsContact O-CB 3.28Å; L540-A544 WeakPolarHBondContact O-CB 3.28Å; L540-A544 PolarHBondContact O-N 3.43Å; L540-F634 HydrophobicContact CD1-CE1 4.49Å; L540-I637 HydrophobicContact CD2-CG2 4.44Å; L540-L641 HydrophobicContact CD2-CD1 4.26Å
541	T	71.9	Confident	67.7	Low	14 Å²	14	58.8 Å²	58.8	9%	0.086	31%	0.309	C	S	.	.	H	α-helix	trans	-63.8	-45.6	176.8	-56.5	0	0	0	0	111.5	L537 D538 S539 I543 A544 R545 I638	L537-T541 WeakPolarHBondContact O-CB 3.48Å; L537-T541 PolarHBondContact O-N 2.74Å; L537-T541 PolarHBondContact O-OG1 3.02Å; D538-T541 PolarHBondContact O-N 3.37Å; S539-T541 VanDerWaalsContact C-N 3.29Å; S539-T541 PolarHBondContact O-N 2.86Å; T541-I543 VanDerWaalsContact C-N 3.26Å; T541-I543 PolarHBondContact O-N 2.97Å; T541-A544 PolarHBondContact O-N 2.65Å; T541-R545 WeakPolarHBondContact O-CB 3.46Å; T541-R545 VanDerWaalsContact O-CG 3.31Å; T541-R545 WeakPolarHBondContact O-CG 3.36Å; T541-R545 PolarHBondContact O-N 3.37Å; T541-I638 HydrophobicContact CG2-CD1 4.27Å
542	S	71.9	Confident	67.8	Low	51 Å²	51	55 Å²	55	36%	0.357	29%	0.294	S	S	.	.	H	α-helix	trans	-62	-37.8	176.8	177.7	0	0	0	0	111.9	D538 S539 K546	D538-S542 WeakPolarHBondContact O-CB 3.33Å; D538-S542 PolarHBondContact O-N 2.77Å; S539-S542 PolarHBondContact O-N 3.07Å; S542-K546 WeakPolarHBondContact O-CG 3.45Å; S542-K546 PolarHBondContact O-N 3.36Å
543	I	66.8	Low	68	Low	37 Å²	37	55.9 Å²	55.9	19%	0.19	31%	0.313	C	S	.	.	H	α-helix	trans	-71.2	-48.6	-179.6	-81	157.9	0	0	0	110.6	L321 I323 S539 L540 T541 R545 K546 L547	L321-I543 HydrophobicContact CD1-CG2 3.89Å; L321-I543 HydrophobicContact CD2-CB 4.05Å; L321-I543 HydrophobicContact CD2-CD1 3.77Å; L321-I543 HydrophobicContact CD2-CG1 3.96Å; L321-I543 HydrophobicContact CD2-CG2 3.05Å; L321-I543 HydrophobicContact CG-CG2 3.83Å; I323-I543 HydrophobicContact CD1-CD1 3.33Å; I323-I543 HydrophobicContact CG1-CD1 4.24Å; S539-I543 VanDerWaalsContact O-CB 3.25Å; S539-I543 WeakPolarHBondContact O-CB 3.36Å; S539-I543 VanDerWaalsContact O-CD1 3.25Å; S539-I543 WeakPolarHBondContact O-CD1 3.43Å; S539-I543 VanDerWaalsContact O-CG1 3.23Å; S539-I543 WeakPolarHBondContact O-CG1 3.42Å; S539-I543 PolarHBondContact O-N 3Å; L540-I543 PolarHBondContact O-N 3.48Å; T541-I543 VanDerWaalsContact C-N 3.26Å; T541-I543 PolarHBondContact O-N 2.97Å; I543-R545 PolarHBondContact O-N 2.85Å; I543-K546 CarbonylContact O-C 3.49Å; I543-K546 WeakPolarHBondContact O-CA 3.24Å; I543-K546 WeakPolarHBondContact O-CB 3.32Å; I543-K546 PolarHBondContact O-N 2.86Å; I543-L547 PolarHBondContact O-N 2.92Å
544	A	69.8	Low	68.2	Low	5 Å²	5	59.4 Å²	59.4	4%	0.041	33%	0.328	C	S	.	.	H	α-helix	trans	-56.5	-43	177.5	0	0	0	0	0	110.5	L540 T541 L547 S548 F634 I638	L540-A544 VanDerWaalsContact O-CB 3.28Å; L540-A544 WeakPolarHBondContact O-CB 3.28Å; L540-A544 PolarHBondContact O-N 3.43Å; T541-A544 PolarHBondContact O-N 2.65Å; A544-L547 PolarHBondContact O-N 3.33Å; A544-S548 WeakPolarHBondContact O-CB 3.47Å; A544-S548 PolarHBondContact O-N 3.24Å; A544-S548 PolarHBondContact O-OG 3.13Å; A544-F634 HydrophobicContact CB-CB 3.82Å; A544-F634 HydrophobicContact CB-CD1 3.66Å; A544-F634 HydrophobicContact CB-CD2 4.44Å; A544-F634 HydrophobicContact CB-CE1 4.29Å; A544-F634 HydrophobicContact CB-CG 3.73Å; A544-I638 HydrophobicContact CB-CD1 3.81Å
545	R	73.2	Confident	68.8	Low	166 Å²	166	61.9 Å²	61.9	63%	0.626	34%	0.339	S	S	*	.	H	α-helix	trans	-64.6	-37.2	173.8	-73.6	178.4	179.4	147.2	3.2	113.4	T541 I543 S548 V549	T541-R545 WeakPolarHBondContact O-CB 3.46Å; T541-R545 VanDerWaalsContact O-CG 3.31Å; T541-R545 WeakPolarHBondContact O-CG 3.36Å; T541-R545 PolarHBondContact O-N 3.37Å; I543-R545 PolarHBondContact O-N 2.85Å; R545-S548 WeakPolarHBondContact CA-OG 3.44Å; R545-S548 PolarHBondContact O-OG 2.89Å; R545-V549 VanDerWaalsContact O-CG2 3.24Å; R545-V549 WeakPolarHBondContact O-CG2 2.94Å; R545-V549 PolarHBondContact O-N 3.26Å
546	K	71.9	Confident	69.5	Low	114 Å²	114	57 Å²	57	50%	0.496	31%	0.305	S	S	.	.	H	α-helix	trans	-66.4	-48.8	173.9	-76.5	173.9	-176.9	176.9	0	109.9	S542 I543 S548 V549 Y550	S542-K546 WeakPolarHBondContact O-CG 3.45Å; S542-K546 PolarHBondContact O-N 3.36Å; I543-K546 CarbonylContact O-C 3.49Å; I543-K546 WeakPolarHBondContact O-CA 3.24Å; I543-K546 WeakPolarHBondContact O-CB 3.32Å; I543-K546 PolarHBondContact O-N 2.86Å; K546-S548 VanDerWaalsContact C-N 3.3Å; K546-S548 PolarHBondContact O-N 2.64Å; K546-V549 WeakPolarHBondContact O-CB 3.18Å; K546-V549 PolarHBondContact O-N 2.82Å; K546-Y550 WeakPolarHBondContact O-CD2 3.19Å; K546-Y550 PolarHBondContact O-N 3.49Å
547	L	68	Low	70.3	Confident	5 Å²	5	57.3 Å²	57.3	3%	0.026	30%	0.301	C	S	.	.	H	α-helix	trans	-60	-41.8	-180	-157.3	83.7	0	0	0	111.3	I318 L321 I543 A544 V549 Y550 L551 F634	I318-L547 HydrophobicContact CD1-CD1 4.38Å; I318-L547 HydrophobicContact CG1-CD1 3.81Å; L321-L547 HydrophobicContact CD1-CD1 4.24Å; I543-L547 PolarHBondContact O-N 2.92Å; A544-L547 PolarHBondContact O-N 3.33Å; L547-V549 VanDerWaalsContact C-N 3.34Å; L547-V549 PolarHBondContact O-N 2.9Å; L547-Y550 PolarHBondContact O-N 2.83Å; L547-Y550 VanDerWaalsContact O-N 3.11Å; L547-L551 HydrophobicContact CD2-CD1 3.66Å; L547-L551 HydrophobicContact CG-CD1 3.75Å; L547-L551 HydrophobicContact CG-CG 4.33Å; L547-L551 WeakPolarHBondContact O-CG 3.28Å; L547-L551 PolarHBondContact O-N 2.85Å; L547-F634 HydrophobicContact CD2-CD2 4.5Å; L547-F634 HydrophobicContact CD2-CE2 3.57Å; L547-F634 HydrophobicContact CD2-CZ 4.13Å
548	S	68.8	Low	71	Confident	21 Å²	21	59.6 Å²	59.6	15%	0.147	32%	0.316	C	S	.	.	H	α-helix	trans	-61.6	-40.5	177.3	74	0	0	0	0	112.3	A544 R545 K546 Y550 L551 D552 T631	A544-S548 WeakPolarHBondContact O-CB 3.47Å; A544-S548 PolarHBondContact O-N 3.24Å; A544-S548 PolarHBondContact O-OG 3.13Å; R545-S548 WeakPolarHBondContact CA-OG 3.44Å; R545-S548 PolarHBondContact O-OG 2.89Å; K546-S548 VanDerWaalsContact C-N 3.3Å; K546-S548 PolarHBondContact O-N 2.64Å; S548-Y550 PolarHBondContact O-N 2.86Å; S548-L551 PolarHBondContact O-N 3.06Å; S548-D552 WeakPolarHBondContact O-CA 3.25Å; S548-D552 WeakPolarHBondContact O-CB 3.29Å; S548-D552 PolarHBondContact O-N 3.38Å; S548-T631 WeakPolarHBondContact CA-OG1 3.25Å; S548-T631 VanDerWaalsContact CB-CG2 3.43Å; S548-T631 WeakPolarHBondContact CB-OG1 3.23Å
549	V	70.2	Confident	71.6	Confident	98 Å²	98	53.8 Å²	53.8	59%	0.594	29%	0.286	S	S	*	.	H	α-helix	trans	-59	-34.1	176.1	169.1	0	0	0	0	111.8	R545 K546 L547 G553	R545-V549 VanDerWaalsContact O-CG2 3.24Å; R545-V549 WeakPolarHBondContact O-CG2 2.94Å; R545-V549 PolarHBondContact O-N 3.26Å; K546-V549 WeakPolarHBondContact O-CB 3.18Å; K546-V549 PolarHBondContact O-N 2.82Å; L547-V549 VanDerWaalsContact C-N 3.34Å; L547-V549 PolarHBondContact O-N 2.9Å; V549-G553 VanDerWaalsContact O-CA 3.24Å; V549-G553 WeakPolarHBondContact O-CA 2.85Å; V549-G553 PolarHBondContact O-N 3.45Å; V549-G553 VanDerWaalsContact O-N 3.16Å
550	Y	67.6	Low	72.3	Confident	73 Å²	73	52.5 Å²	52.5	29%	0.286	28%	0.275	S	S	.	.	H	α-helix	trans	-86.2	-34.9	178.9	-72.3	-82.8	0	0	0	113.9	I313 L317 K546 L547 S548	I313-Y550 HydrophobicContact CB-CD1 4.39Å; I313-Y550 HydrophobicContact CB-CE1 4.09Å; I313-Y550 HydrophobicContact CD1-CE1 4.02Å; I313-Y550 HydrophobicContact CG2-CD1 3.8Å; I313-Y550 HydrophobicContact CG2-CE1 3.29Å; I313-Y550 HydrophobicContact CG2-CE2 4.13Å; I313-Y550 HydrophobicContact CG2-CG 4.37Å; I313-Y550 VanDerWaalsContact CG2-CZ 3.46Å; L317-Y550 HydrophobicContact CD1-CD1 4.43Å; L317-Y550 HydrophobicContact CD1-CD2 3.11Å; L317-Y550 HydrophobicContact CD1-CE1 4.5Å; L317-Y550 HydrophobicContact CD1-CE2 3.23Å; L317-Y550 HydrophobicContact CD1-CG 3.78Å; K546-Y550 WeakPolarHBondContact O-CD2 3.19Å; K546-Y550 PolarHBondContact O-N 3.49Å; L547-Y550 PolarHBondContact O-N 2.83Å; L547-Y550 VanDerWaalsContact O-N 3.11Å; S548-Y550 PolarHBondContact O-N 2.86Å
551	L	67.7	Low	73.2	Confident	3 Å²	3	58.1 Å²	58.1	2%	0.016	30%	0.301	C	S	.	.	H	α-helix	trans	-77.5	-46.6	178.5	-69.4	173	0	0	0	111.7	T234 L314 L547 S548 L630	T234-L551 HydrophobicContact CG2-CD2 4.04Å; L314-L551 HydrophobicContact CD1-CD2 3.7Å; L314-L551 HydrophobicContact CD1-CG 4.08Å; L314-L551 HydrophobicContact CD2-CD2 4.28Å; L547-L551 HydrophobicContact CD2-CD1 3.66Å; L547-L551 HydrophobicContact CG-CD1 3.75Å; L547-L551 HydrophobicContact CG-CG 4.33Å; L547-L551 WeakPolarHBondContact O-CG 3.28Å; L547-L551 PolarHBondContact O-N 2.85Å; S548-L551 PolarHBondContact O-N 3.06Å; L551-L630 HydrophobicContact CD1-CB 3.92Å; L551-L630 HydrophobicContact CD1-CD1 3.6Å; L551-L630 HydrophobicContact CD1-CG 4.4Å
552	D	67.4	Low	73.8	Confident	74 Å²	74	59 Å²	59	40%	0.396	30%	0.304	S	S	.	.	H	α-helix	trans	-83.4	-33.1	-178	-58.6	-23.8	0	0	0	112.1	S548 K554 T631	S548-D552 WeakPolarHBondContact O-CA 3.25Å; S548-D552 WeakPolarHBondContact O-CB 3.29Å; S548-D552 PolarHBondContact O-N 3.38Å; D552-K554 VanDerWaalsContact C-N 3.29Å; D552-K554 PolarHBondContact O-N 3.14Å; D552-T631 PolarHBondContact OD1-OG1 3.05Å; D552-T631 WeakPolarHBondContact OD2-CB 3.37Å; D552-T631 WeakPolarHBondContact OD2-CG2 3.46Å; D552-T631 PolarHBondContact OD2-OG1 3.41Å
553	G	65.9	Low	74.4	Confident	59 Å²	59	56.6 Å²	56.6	61%	0.608	29%	0.287	S	S	*	.	S	Bend	trans	-78.1	-8.5	-175.8	0	0	0	0	0	114.6	V549	V549-G553 VanDerWaalsContact O-CA 3.24Å; V549-G553 WeakPolarHBondContact O-CA 2.85Å; V549-G553 PolarHBondContact O-N 3.45Å; V549-G553 VanDerWaalsContact O-N 3.16Å
554	K	70.5	Confident	75.3	Confident	90 Å²	90	58.9 Å²	58.9	39%	0.391	30%	0.3	S	S	.	.			trans	-110.5	124.8	179.8	-70.9	-70.7	-176	172.5	0	111.2	D552 Y556 K628	D552-K554 VanDerWaalsContact C-N 3.29Å; D552-K554 PolarHBondContact O-N 3.14Å; K554-Y556 HydrophobicContact CB-CE2 4.32Å; K554-K628 WeakPolarHBondContact O-CE 3.48Å
555	D	75.1	Confident	76.1	Confident	85 Å²	85	62.9 Å²	62.9	46%	0.455	32%	0.317	S	S	.	.			trans	-97.3	113.4	169.6	-167.1	9.4	0	0	0	109.5	K557 P558 K628	D555-K557 VanDerWaalsContact C-N 3.32Å; D555-K557 WeakPolarHBondContact OD1-CB 3.08Å; D555-K557 WeakPolarHBondContact OD1-CG 3.47Å; D555-K557 PolarHBondContact OD1-N 3.35Å; D555-K557 VanDerWaalsContact OD1-N 3.16Å; D555-P558 VanDerWaalsContact O-CD 3.25Å; D555-P558 WeakPolarHBondContact O-CD 3.41Å; D555-K628 IonicContact OD1-NZ 2.87Å
556	Y	77.4	Confident	76.6	Confident	6 Å²	6	55 Å²	55	2%	0.024	29%	0.287	C	S	.	.			trans	-84.6	-6.7	177.2	-65.2	-72	0	0	0	112.8	S310 K554 P558 T559 I560 F621 L624	S310-Y556 VanDerWaalsContact CB-OH 3.31Å; S310-Y556 WeakPolarHBondContact CB-OH 3.02Å; S310-Y556 WeakPolarHBondContact OG-CE1 3.45Å; S310-Y556 PolarHBondContact OG-OH 3.44Å; K554-Y556 HydrophobicContact CB-CE2 4.32Å; Y556-P558 VanDerWaalsContact C-CD 3.49Å; Y556-T559 PolarHBondContact O-N 2.94Å; Y556-I560 WeakPolarHBondContact O-CG1 3.44Å; Y556-I560 PolarHBondContact O-N 3.35Å; Y556-F621 AromaticContact CD1-CD1 3.65Å; Y556-F621 HydrophobicContact CD1-CD1 3.65Å; Y556-F621 HydrophobicContact CD1-CE1 4.06Å; Y556-F621 HydrophobicContact CE1-CD1 4.24Å; Y556-F621 HydrophobicContact CE1-CE1 4.32Å; Y556-F621 HydrophobicContact CG-CD1 4.04Å; Y556-L624 HydrophobicContact CD2-CB 4.15Å; Y556-L624 HydrophobicContact CE1-CD1 4.45Å; Y556-L624 HydrophobicContact CE2-CB 3.94Å; Y556-L624 HydrophobicContact CE2-CD1 4.27Å
557	K	82.2	Confident	77.3	Confident	104 Å²	104	51.3 Å²	51.3	45%	0.452	27%	0.273	S	S	.	.	H	α-helix	trans	-55.5	-43.8	177.9	-68.7	176.7	-171.6	-176.7	0	113.8	D555 T559 I560 Q561 E625	D555-K557 VanDerWaalsContact C-N 3.32Å; D555-K557 WeakPolarHBondContact OD1-CB 3.08Å; D555-K557 WeakPolarHBondContact OD1-CG 3.47Å; D555-K557 PolarHBondContact OD1-N 3.35Å; D555-K557 VanDerWaalsContact OD1-N 3.16Å; K557-T559 VanDerWaalsContact C-N 3.32Å; K557-T559 PolarHBondContact O-N 2.88Å; K557-I560 PolarHBondContact O-N 3.06Å; K557-Q561 WeakPolarHBondContact O-CB 3.11Å; K557-Q561 VanDerWaalsContact O-CG 3.28Å; K557-Q561 WeakPolarHBondContact O-CG 3.18Å; K557-Q561 PolarHBondContact O-N 2.89Å; K557-E625 WeakPolarHBondContact CE-OE1 3.46Å; K557-E625 IonicContact NZ-OE1 3.89Å
558	P	83	Confident	78.1	Confident	56 Å²	56	53.7 Å²	53.7	36%	0.364	29%	0.29	S	S	.	.	H	α-helix	trans	-60.8	-41.7	177.7	-22.6	34.9	0	0	0	112.1	D555 Y556 Q561 E562	D555-P558 VanDerWaalsContact O-CD 3.25Å; D555-P558 WeakPolarHBondContact O-CD 3.41Å; Y556-P558 VanDerWaalsContact C-CD 3.49Å; P558-Q561 PolarHBondContact O-N 3.09Å; P558-E562 PolarHBondContact O-N 3.2Å
559	T	80	Confident	78.9	Confident	11 Å²	11	53.3 Å²	53.3	7%	0.067	29%	0.286	C	S	.	.	H	α-helix	trans	-64	-44.8	176.7	-56.4	0	0	0	0	111.5	L305 F308 Y556 K557 Q561 E562 I563 F621	L305-T559 PolarHBondContact O-OG1 3.04Å; F308-T559 HydrophobicContact CD1-CG2 4.11Å; F308-T559 HydrophobicContact CE1-CG2 3.52Å; F308-T559 HydrophobicContact CZ-CG2 4.38Å; Y556-T559 PolarHBondContact O-N 2.94Å; K557-T559 VanDerWaalsContact C-N 3.32Å; K557-T559 PolarHBondContact O-N 2.88Å; T559-Q561 VanDerWaalsContact C-N 3.31Å; T559-Q561 PolarHBondContact O-N 3.26Å; T559-E562 PolarHBondContact O-N 2.97Å; T559-I563 HydrophobicContact CG2-CD1 3.96Å; T559-I563 WeakPolarHBondContact O-CB 3.4Å; T559-I563 VanDerWaalsContact O-CG1 3.22Å; T559-I563 WeakPolarHBondContact O-CG1 3.13Å; T559-I563 PolarHBondContact O-N 3.17Å; T559-F621 HydrophobicContact CG2-CE2 4.46Å
560	I	83	Confident	79.6	Confident	17 Å²	17	50.6 Å²	50.6	9%	0.087	27%	0.267	C	S	.	.	H	α-helix	trans	-59.7	-43.6	175.5	-65.9	167.4	0	0	0	110.4	Y556 K557 I563 L564 I618 F621 E622	Y556-I560 WeakPolarHBondContact O-CG1 3.44Å; Y556-I560 PolarHBondContact O-N 3.35Å; K557-I560 PolarHBondContact O-N 3.06Å; I560-I563 PolarHBondContact O-N 2.86Å; I560-L564 HydrophobicContact CG2-CD1 3.91Å; I560-L564 HydrophobicContact CG2-CG 4.41Å; I560-L564 WeakPolarHBondContact O-CB 3.24Å; I560-L564 VanDerWaalsContact O-CG 3.26Å; I560-L564 WeakPolarHBondContact O-CG 3.41Å; I560-L564 PolarHBondContact O-N 3.07Å; I560-I618 HydrophobicContact CG2-CG2 4.25Å; I560-F621 HydrophobicContact CD1-CB 3.82Å; I560-F621 HydrophobicContact CG1-CB 3.72Å; I560-F621 HydrophobicContact CG1-CG 4.38Å; I560-E622 HydrophobicContact CD1-CG 4.25Å
561	Q	85.2	Confident	80.5	Confident	131 Å²	131	50 Å²	50	61%	0.612	27%	0.274	S	S	*	.	H	α-helix	trans	-63.7	-43.9	178.8	-75	175.3	-8	0	0	112.6	K557 P558 T559 I563 L564 H565	K557-Q561 WeakPolarHBondContact O-CB 3.11Å; K557-Q561 VanDerWaalsContact O-CG 3.28Å; K557-Q561 WeakPolarHBondContact O-CG 3.18Å; K557-Q561 PolarHBondContact O-N 2.89Å; P558-Q561 PolarHBondContact O-N 3.09Å; T559-Q561 VanDerWaalsContact C-N 3.31Å; T559-Q561 PolarHBondContact O-N 3.26Å; Q561-I563 VanDerWaalsContact C-N 3.34Å; Q561-I563 PolarHBondContact O-N 3.19Å; Q561-L564 PolarHBondContact O-N 3.1Å; Q561-H565 WeakPolarHBondContact O-CB 3.31Å; Q561-H565 PolarHBondContact O-N 2.98Å
562	E	84.3	Confident	81.4	Confident	33 Å²	33	53.9 Å²	53.9	15%	0.154	29%	0.294	C	S	.	.	H	α-helix	trans	-66.4	-39.2	179.5	-166.9	64.8	-162.7	0	0	111.5	V301 D302 L305 F306 P558 T559 H565 F566	V301-E562 WeakPolarHBondContact CA-OE1 3.47Å; V301-E562 HydrophobicContact CG1-CG 4.18Å; D302-E562 PolarHBondContact N-OE1 3.19Å; L305-E562 HydrophobicContact CB-CB 4.36Å; L305-E562 HydrophobicContact CB-CG 4.21Å; L305-E562 HydrophobicContact CD1-CG 4.26Å; F306-E562 HydrophobicContact CD1-CG 4.36Å; F306-E562 HydrophobicContact CE1-CB 4.04Å; F306-E562 HydrophobicContact CE1-CG 3.74Å; P558-E562 PolarHBondContact O-N 3.2Å; T559-E562 PolarHBondContact O-N 2.97Å; E562-H565 WeakPolarHBondContact O-CB 3.23Å; E562-H565 PolarHBondContact O-N 3.38Å; E562-F566 PolarHBondContact O-N 3.41Å
563	I	83.5	Confident	82.3	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-62.9	-45.3	174.2	-71.9	174.9	0	0	0	110.7	F306 F308 T559 I560 Q561 H565 F566 I567 I614 I618 F621	F306-I563 HydrophobicContact CD1-CG1 3.9Å; F306-I563 HydrophobicContact CE1-CB 4.49Å; F306-I563 HydrophobicContact CE1-CG1 3.57Å; F306-I563 HydrophobicContact CZ-CG1 4.23Å; F308-I563 HydrophobicContact CE1-CD1 4.22Å; F308-I563 HydrophobicContact CZ-CD1 4.15Å; T559-I563 HydrophobicContact CG2-CD1 3.96Å; T559-I563 WeakPolarHBondContact O-CB 3.4Å; T559-I563 VanDerWaalsContact O-CG1 3.22Å; T559-I563 WeakPolarHBondContact O-CG1 3.13Å; T559-I563 PolarHBondContact O-N 3.17Å; I560-I563 PolarHBondContact O-N 2.86Å; Q561-I563 VanDerWaalsContact C-N 3.34Å; Q561-I563 PolarHBondContact O-N 3.19Å; I563-H565 VanDerWaalsContact C-N 3.31Å; I563-H565 PolarHBondContact O-N 3.15Å; I563-F566 PolarHBondContact O-N 3.16Å; I563-I567 HydrophobicContact CG2-CD1 4.42Å; I563-I567 WeakPolarHBondContact O-CG1 3.27Å; I563-I567 PolarHBondContact O-N 3.46Å; I563-I567 VanDerWaalsContact O-N 3.07Å; I563-I614 HydrophobicContact CG2-CB 4.46Å; I563-I614 HydrophobicContact CG2-CG2 3.06Å; I563-I618 HydrophobicContact CG2-CD1 3.82Å; I563-I618 HydrophobicContact CG2-CG1 3.78Å; I563-F621 HydrophobicContact CD1-CD2 4.38Å; I563-F621 HydrophobicContact CD1-CE2 4.17Å
564	L	86.3	Confident	83.3	Confident	86 Å²	86	50.6 Å²	50.6	45%	0.45	26%	0.262	S	S	.	.	H	α-helix	trans	-64.1	-37.3	175.8	-73.4	171.6	0	0	0	111.8	I560 Q561 I567 S568 I618	I560-L564 HydrophobicContact CG2-CD1 3.91Å; I560-L564 HydrophobicContact CG2-CG 4.41Å; I560-L564 WeakPolarHBondContact O-CB 3.24Å; I560-L564 VanDerWaalsContact O-CG 3.26Å; I560-L564 WeakPolarHBondContact O-CG 3.41Å; I560-L564 PolarHBondContact O-N 3.07Å; Q561-L564 PolarHBondContact O-N 3.1Å; L564-I567 PolarHBondContact O-N 2.81Å; L564-S568 PolarHBondContact O-N 3.39Å; L564-I618 HydrophobicContact CD2-CD1 3.93Å; L564-I618 HydrophobicContact CG-CD1 4.4Å
565	H	86	Confident	84.1	Confident	89 Å²	89	50.5 Å²	50.5	41%	0.412	27%	0.266	S	S	.	.	H	α-helix	trans	-59.7	-49.6	173.8	-178.5	56	0	0	0	110.4	Q561 E562 I563 I567 S568 I569	Q561-H565 WeakPolarHBondContact O-CB 3.31Å; Q561-H565 PolarHBondContact O-N 2.98Å; E562-H565 WeakPolarHBondContact O-CB 3.23Å; E562-H565 PolarHBondContact O-N 3.38Å; I563-H565 VanDerWaalsContact C-N 3.31Å; I563-H565 PolarHBondContact O-N 3.15Å; H565-I567 VanDerWaalsContact C-N 3.33Å; H565-I567 PolarHBondContact O-N 3.32Å; H565-S568 WeakPolarHBondContact O-CB 3.44Å; H565-S568 PolarHBondContact O-N 3.31Å; H565-S568 PolarHBondContact O-OG 2.86Å; H565-I569 WeakPolarHBondContact O-CG1 3.47Å; H565-I569 PolarHBondContact O-N 3.19Å
566	F	85.2	Confident	84.7	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-53.6	-49.8	174.9	178.9	-100.9	0	0	0	111.2	V252 Y255 V301 E562 I563 S568 I569 Y607 I610 I614	V252-F566 HydrophobicContact CG1-CD2 4.06Å; V252-F566 HydrophobicContact CG1-CE2 3.76Å; V252-F566 HydrophobicContact CG1-CZ 4.21Å; V252-F566 HydrophobicContact CG2-CE1 4.19Å; V252-F566 HydrophobicContact CG2-CE2 4.43Å; V252-F566 HydrophobicContact CG2-CZ 4.07Å; Y255-F566 HydrophobicContact CD1-CE2 4.05Å; Y255-F566 AromaticContact CD1-CZ 3.98Å; Y255-F566 HydrophobicContact CD1-CZ 3.98Å; Y255-F566 HydrophobicContact CE1-CE2 4.47Å; Y255-F566 HydrophobicContact CE1-CZ 4.42Å; V301-F566 HydrophobicContact CG2-CB 4.14Å; V301-F566 HydrophobicContact CG2-CD2 4.05Å; E562-F566 PolarHBondContact O-N 3.41Å; I563-F566 PolarHBondContact O-N 3.16Å; F566-S568 PolarHBondContact O-N 2.88Å; F566-I569 WeakPolarHBondContact O-CB 3.34Å; F566-I569 PolarHBondContact O-N 3.39Å; F566-I569 VanDerWaalsContact O-N 3.1Å; F566-Y607 HydrophobicContact CD1-CE2 4.19Å; F566-Y607 HydrophobicContact CE1-CD2 4.02Å; F566-Y607 AromaticContact CE1-CE2 3.61Å; F566-Y607 HydrophobicContact CE1-CE2 3.61Å; F566-Y607 HydrophobicContact CE2-CD2 4.46Å; F566-Y607 HydrophobicContact CE2-CE2 4.07Å; F566-Y607 AromaticContact CZ-CD2 3.73Å; F566-Y607 HydrophobicContact CZ-CD2 3.73Å; F566-Y607 AromaticContact CZ-CE2 3.56Å; F566-Y607 HydrophobicContact CZ-CE2 3.56Å; F566-Y607 PolarHBondContact O-OH 3.46Å; F566-I610 HydrophobicContact CE1-CG2 3.71Å; F566-I610 HydrophobicContact CZ-CG2 4.2Å; F566-I614 HydrophobicContact CD1-CD1 3.7Å; F566-I614 HydrophobicContact CE1-CD1 3.92Å
567	I	85.7	Confident	85.2	Confident	37 Å²	37	46.5 Å²	46.5	19%	0.19	25%	0.245	C	C	.	.	H	α-helix	trans	-56.6	-36.9	178.8	-65.9	173.9	0	0	0	112.3	I563 L564 H565 I569 Y607 T611 I614 I618	I563-I567 HydrophobicContact CG2-CD1 4.42Å; I563-I567 WeakPolarHBondContact O-CG1 3.27Å; I563-I567 PolarHBondContact O-N 3.46Å; I563-I567 VanDerWaalsContact O-N 3.07Å; L564-I567 PolarHBondContact O-N 2.81Å; H565-I567 VanDerWaalsContact C-N 3.33Å; H565-I567 PolarHBondContact O-N 3.32Å; I567-I569 VanDerWaalsContact C-N 3.26Å; I567-I569 PolarHBondContact O-N 2.89Å; I567-Y607 WeakPolarHBondContact CA-OH 3.45Å; I567-Y607 PolarHBondContact O-OH 3.13Å; I567-T611 HydrophobicContact CD1-CG2 4.44Å; I567-T611 HydrophobicContact CG1-CG2 4.11Å; I567-T611 HydrophobicContact CG2-CG2 4.09Å; I567-I614 HydrophobicContact CD1-CG2 3.78Å; I567-I614 HydrophobicContact CG1-CG2 4.29Å; I567-I618 HydrophobicContact CD1-CD1 3.92Å
568	S	85.1	Confident	85.4	Confident	55 Å²	55	45.3 Å²	45.3	39%	0.385	24%	0.243	S	C	.	.	H	α-helix	trans	-69.9	-19.7	-178.5	75.4	0	0	0	0	114.1	L564 H565 F566 Q570 S571	L564-S568 PolarHBondContact O-N 3.39Å; H565-S568 WeakPolarHBondContact O-CB 3.44Å; H565-S568 PolarHBondContact O-N 3.31Å; H565-S568 PolarHBondContact O-OG 2.86Å; F566-S568 PolarHBondContact O-N 2.88Å; S568-Q570 PolarHBondContact O-N 2.87Å; S568-S571 PolarHBondContact O-OG 2.85Å
569	I	84.9	Confident	85.6	Confident	12 Å²	12	46.8 Å²	46.8	6%	0.062	25%	0.245	C	C	.	.	H	α-helix	trans	-66.8	-27.4	-175.3	-65.8	170.1	0	0	0	111.9	I299 V301 H565 F566 I567 S571 N572 I573	I299-I569 HydrophobicContact CB-CD1 4.36Å; I299-I569 HydrophobicContact CD1-CB 4.46Å; I299-I569 HydrophobicContact CD1-CD1 4.04Å; I299-I569 HydrophobicContact CD1-CG2 3.63Å; I299-I569 HydrophobicContact CG1-CD1 4.14Å; I299-I569 HydrophobicContact CG1-CG2 3.91Å; I299-I569 HydrophobicContact CG2-CD1 3.51Å; V301-I569 HydrophobicContact CG2-CD1 3.92Å; H565-I569 WeakPolarHBondContact O-CG1 3.47Å; H565-I569 PolarHBondContact O-N 3.19Å; F566-I569 WeakPolarHBondContact O-CB 3.34Å; F566-I569 PolarHBondContact O-N 3.39Å; F566-I569 VanDerWaalsContact O-N 3.1Å; I567-I569 VanDerWaalsContact C-N 3.26Å; I567-I569 PolarHBondContact O-N 2.89Å; I569-S571 VanDerWaalsContact C-N 3.29Å; I569-S571 PolarHBondContact O-N 3.47Å; I569-N572 WeakPolarHBondContact O-CB 3.31Å; I569-N572 PolarHBondContact O-N 2.86Å; I569-I573 HydrophobicContact CG2-CD1 3.7Å; I569-I573 HydrophobicContact CG2-CG1 3.88Å; I569-I573 PolarHBondContact O-N 3.47Å
570	Q	86.2	Confident	85.8	Confident	42 Å²	42	46.2 Å²	46.2	20%	0.196	24%	0.242	C	C	.	.	H	α-helix	trans	-52.2	-45.9	-178.1	-157.7	178.9	-2.3	0	0	113.5	S568 N572 I573 I574 L604 Y607 N608	S568-Q570 PolarHBondContact O-N 2.87Å; Q570-N572 VanDerWaalsContact C-N 3.28Å; Q570-N572 PolarHBondContact O-N 2.77Å; Q570-I573 PolarHBondContact O-N 3.41Å; Q570-I574 HydrophobicContact CG-CD1 3.88Å; Q570-I574 HydrophobicContact CG-CG1 4.49Å; Q570-I574 VanDerWaalsContact O-CG1 3.29Å; Q570-I574 WeakPolarHBondContact O-CG1 3.5Å; Q570-I574 PolarHBondContact O-N 2.82Å; Q570-L604 HydrophobicContact CG-CD2 4.32Å; Q570-Y607 HydrophobicContact CB-CD1 4.08Å; Q570-Y607 HydrophobicContact CB-CE1 3.34Å; Q570-Y607 HydrophobicContact CG-CD1 3.65Å; Q570-Y607 HydrophobicContact CG-CE1 3.42Å; Q570-Y607 VanDerWaalsContact CG-CE1 3.42Å; Q570-Y607 PolarHBondContact N-OH 2.61Å; Q570-Y607 VanDerWaalsContact OE1-CE1 3.32Å; Q570-N608 PolarHBondContact NE2-OD1 3.24Å
571	S	85.5	Confident	85.9	Confident	61 Å²	61	48.3 Å²	48.3	43%	0.427	25%	0.253	S	S	.	.	H	α-helix	trans	-64	-38.8	-177.7	54.3	0	0	0	0	110.7	S568 I569 I574 N575	S568-S571 PolarHBondContact O-OG 2.85Å; I569-S571 VanDerWaalsContact C-N 3.29Å; I569-S571 PolarHBondContact O-N 3.47Å; S571-I574 PolarHBondContact O-N 2.76Å; S571-N575 WeakPolarHBondContact O-CB 3.47Å; S571-N575 PolarHBondContact O-N 3.41Å; S571-N575 PolarHBondContact O-ND2 2.94Å
572	N	86.1	Confident	85.8	Confident	83 Å²	83	47 Å²	47	44%	0.444	25%	0.251	S	S	.	.	H	α-helix	trans	-65.7	-42.7	177.6	-62.5	-18.9	0	0	0	111.3	I296 I569 Q570 N575 Y576	I296-N572 HydrophobicContact CG2-CB 4.09Å; I569-N572 WeakPolarHBondContact O-CB 3.31Å; I569-N572 PolarHBondContact O-N 2.86Å; Q570-N572 VanDerWaalsContact C-N 3.28Å; Q570-N572 PolarHBondContact O-N 2.77Å; N572-N575 PolarHBondContact O-N 3.08Å; N572-Y576 WeakPolarHBondContact O-CB 3.44Å; N572-Y576 PolarHBondContact O-N 3.16Å
573	I	86.4	Confident	85.7	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-64.4	-45.9	176.1	-62.5	174.4	0	0	0	110.6	L259 I296 L297 I299 I569 Q570 N575 Y576 L577 I600 L604	L259-I573 HydrophobicContact CD1-CD1 3.77Å; I296-I573 HydrophobicContact CG2-CG1 4.5Å; L297-I573 HydrophobicContact CD2-CG1 4.33Å; L297-I573 HydrophobicContact CD2-CG2 4.11Å; I299-I573 HydrophobicContact CD1-CD1 4.21Å; I569-I573 HydrophobicContact CG2-CD1 3.7Å; I569-I573 HydrophobicContact CG2-CG1 3.88Å; I569-I573 PolarHBondContact O-N 3.47Å; Q570-I573 PolarHBondContact O-N 3.41Å; I573-N575 VanDerWaalsContact C-N 3.33Å; I573-N575 PolarHBondContact O-N 2.91Å; I573-Y576 PolarHBondContact O-N 3.48Å; I573-L577 HydrophobicContact CG2-CD1 4.04Å; I573-L577 HydrophobicContact CG2-CG 4.27Å; I573-L577 WeakPolarHBondContact O-CG 3.39Å; I573-L577 PolarHBondContact O-N 3.38Å; I573-I600 HydrophobicContact CG2-CG2 4.27Å; I573-L604 HydrophobicContact CB-CD2 4.43Å; I573-L604 HydrophobicContact CG2-CD1 4.44Å; I573-L604 HydrophobicContact CG2-CD2 3.98Å; I573-L604 HydrophobicContact CG2-CG 4.48Å
574	I	87.6	Confident	85.5	Confident	64 Å²	64	48.3 Å²	48.3	33%	0.328	26%	0.256	S	S	.	.	H	α-helix	trans	-60.4	-44.1	178.9	-70.2	168.3	0	0	0	110.8	Q570 S571 Y576 L577 N578 L604	Q570-I574 HydrophobicContact CG-CD1 3.88Å; Q570-I574 HydrophobicContact CG-CG1 4.49Å; Q570-I574 VanDerWaalsContact O-CG1 3.29Å; Q570-I574 WeakPolarHBondContact O-CG1 3.5Å; Q570-I574 PolarHBondContact O-N 2.82Å; S571-I574 PolarHBondContact O-N 2.76Å; I574-Y576 PolarHBondContact O-N 3.47Å; I574-L577 PolarHBondContact O-N 2.95Å; I574-N578 VanDerWaalsContact O-CG 3.24Å; I574-N578 PolarHBondContact O-N 2.73Å; I574-N578 PolarHBondContact O-ND2 2.84Å; I574-L604 HydrophobicContact CG1-CD1 4.08Å
575	N	87.5	Confident	84.9	Confident	89 Å²	89	51 Å²	51	48%	0.476	27%	0.267	S	S	.	.	H	α-helix	trans	-61.4	-44.9	177.1	-71.2	-15.7	0	0	0	111.3	S571 N572 I573 L577 N578 E579	S571-N575 WeakPolarHBondContact O-CB 3.47Å; S571-N575 PolarHBondContact O-N 3.41Å; S571-N575 PolarHBondContact O-ND2 2.94Å; N572-N575 PolarHBondContact O-N 3.08Å; I573-N575 VanDerWaalsContact C-N 3.33Å; I573-N575 PolarHBondContact O-N 2.91Å; N575-L577 PolarHBondContact O-N 3.35Å; N575-N578 WeakPolarHBondContact O-CB 3.15Å; N575-N578 PolarHBondContact O-N 3.33Å; N575-E579 PolarHBondContact O-N 3.06Å
576	Y	88.3	Confident	84.1	Confident	1 Å²	1	51 Å²	51	0%	0.004	28%	0.276	C	S	.	.	H	α-helix	trans	-62.9	-41.4	176.8	-179.3	-120.6	0	0	0	112.6	L266 L290 N293 N294 I296 L297 N572 I573 I574 N578 E579 I580	L266-Y576 HydrophobicContact CD2-CE1 3.78Å; L290-Y576 HydrophobicContact CD2-CE2 4.19Å; L290-Y576 PolarHBondContact O-OH 2.78Å; N293-Y576 HydrophobicContact CB-CD2 3.75Å; N293-Y576 HydrophobicContact CB-CE2 3.47Å; N293-Y576 VanDerWaalsContact CB-CE2 3.47Å; N294-Y576 VanDerWaalsContact CA-OH 3.24Å; N294-Y576 WeakPolarHBondContact CA-OH 3.35Å; N294-Y576 VanDerWaalsContact CB-OH 3.29Å; N294-Y576 WeakPolarHBondContact CB-OH 3.18Å; N294-Y576 PolarHBondContact N-OH 3.38Å; I296-Y576 HydrophobicContact CD1-CD2 4.35Å; I296-Y576 HydrophobicContact CD1-CG 4.37Å; L297-Y576 HydrophobicContact CD1-CE1 4.07Å; L297-Y576 HydrophobicContact CD2-CD1 4.31Å; L297-Y576 HydrophobicContact CG-CD1 4.2Å; L297-Y576 HydrophobicContact CG-CE1 4.07Å; N572-Y576 WeakPolarHBondContact O-CB 3.44Å; N572-Y576 PolarHBondContact O-N 3.16Å; I573-Y576 PolarHBondContact O-N 3.48Å; I574-Y576 PolarHBondContact O-N 3.47Å; Y576-N578 VanDerWaalsContact C-N 3.3Å; Y576-N578 PolarHBondContact O-N 3.42Å; Y576-E579 WeakPolarHBondContact O-CB 3.45Å; Y576-E579 PolarHBondContact O-N 3.19Å; Y576-I580 HydrophobicContact CD1-CD1 3.98Å; Y576-I580 HydrophobicContact CE1-CD1 3.53Å; Y576-I580 HydrophobicContact CE1-CG1 4.4Å; Y576-I580 HydrophobicContact CE2-CD1 4.23Å; Y576-I580 HydrophobicContact CE2-CG1 4.24Å; Y576-I580 WeakPolarHBondContact O-CG1 3.24Å; Y576-I580 PolarHBondContact O-N 3.15Å
577	L	87.2	Confident	83	Confident	5 Å²	5	52 Å²	52	3%	0.026	28%	0.284	C	S	.	.	H	α-helix	trans	-63.5	-36.4	174.9	-69.7	176.3	0	0	0	112.3	I573 I574 N575 I580 N581 I597 I600 N601 L604	I573-L577 HydrophobicContact CG2-CD1 4.04Å; I573-L577 HydrophobicContact CG2-CG 4.27Å; I573-L577 WeakPolarHBondContact O-CG 3.39Å; I573-L577 PolarHBondContact O-N 3.38Å; I574-L577 PolarHBondContact O-N 2.95Å; N575-L577 PolarHBondContact O-N 3.35Å; L577-I580 HydrophobicContact CD2-CD1 4.5Å; L577-I580 PolarHBondContact O-N 3.25Å; L577-N581 VanDerWaalsContact O-CB 3.31Å; L577-N581 WeakPolarHBondContact O-CB 3.47Å; L577-N581 PolarHBondContact O-N 2.81Å; L577-I597 HydrophobicContact CD2-CG2 4.48Å; L577-I600 HydrophobicContact CD1-CB 4.42Å; L577-I600 HydrophobicContact CD1-CG2 3.8Å; L577-I600 HydrophobicContact CD2-CB 4.03Å; L577-I600 HydrophobicContact CD2-CD1 3.92Å; L577-I600 HydrophobicContact CD2-CG2 3.88Å; L577-I600 HydrophobicContact CG-CG2 4.3Å; L577-N601 WeakPolarHBondContact CD1-OD1 3.26Å; L577-L604 HydrophobicContact CD1-CD1 3.53Å
578	N	86.7	Confident	81.8	Confident	80 Å²	80	59.4 Å²	59.4	43%	0.428	32%	0.315	S	S	.	.	H	α-helix	trans	-65.6	-38.7	173.9	-69.6	-27.4	0	0	0	111.7	I574 N575 Y576 N581 N582	I574-N578 VanDerWaalsContact O-CG 3.24Å; I574-N578 PolarHBondContact O-N 2.73Å; I574-N578 PolarHBondContact O-ND2 2.84Å; N575-N578 WeakPolarHBondContact O-CB 3.15Å; N575-N578 PolarHBondContact O-N 3.33Å; Y576-N578 VanDerWaalsContact C-N 3.3Å; Y576-N578 PolarHBondContact O-N 3.42Å; N578-N581 PolarHBondContact O-N 3.05Å; N578-N582 WeakPolarHBondContact O-CB 3.34Å; N578-N582 PolarHBondContact O-N 3.35Å; N578-N582 PolarHBondContact O-ND2 3.05Å
579	E	86	Confident	80.7	Confident	86 Å²	86	63.6 Å²	63.6	40%	0.402	33%	0.333	S	S	.	.	H	α-helix	trans	-60.9	-46.2	173.7	-69.6	178.3	-176.1	0	0	111.8	L290 N293 N575 Y576 N582 F583	L290-E579 HydrophobicContact CD2-CB 3.81Å; N293-E579 PolarHBondContact ND2-OE2 2.99Å; N575-E579 PolarHBondContact O-N 3.06Å; Y576-E579 WeakPolarHBondContact O-CB 3.45Å; Y576-E579 PolarHBondContact O-N 3.19Å; E579-N582 PolarHBondContact O-N 3.47Å; E579-F583 PolarHBondContact O-N 3.49Å
580	I	85.1	Confident	80.1	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-64.2	-42.3	176.9	-59.1	166.5	0	0	0	110.6	L266 L290 Y576 L577 N582 F583 Q584 I597	L266-I580 HydrophobicContact CD1-CD1 4.37Å; L266-I580 HydrophobicContact CD2-CD1 3.65Å; L290-I580 HydrophobicContact CD2-CG1 3.94Å; Y576-I580 HydrophobicContact CD1-CD1 3.98Å; Y576-I580 HydrophobicContact CE1-CD1 3.53Å; Y576-I580 HydrophobicContact CE1-CG1 4.4Å; Y576-I580 HydrophobicContact CE2-CD1 4.23Å; Y576-I580 HydrophobicContact CE2-CG1 4.24Å; Y576-I580 WeakPolarHBondContact O-CG1 3.24Å; Y576-I580 PolarHBondContact O-N 3.15Å; L577-I580 HydrophobicContact CD2-CD1 4.5Å; L577-I580 PolarHBondContact O-N 3.25Å; I580-N582 VanDerWaalsContact C-N 3.33Å; I580-N582 PolarHBondContact O-N 3.14Å; I580-F583 CarbonylContact O-C 3.53Å; I580-F583 WeakPolarHBondContact O-CB 3.4Å; I580-F583 PolarHBondContact O-N 3.06Å; I580-Q584 WeakPolarHBondContact O-CB 3.3Å; I580-Q584 PolarHBondContact O-N 2.99Å; I580-I597 HydrophobicContact CB-CD1 4.27Å; I580-I597 HydrophobicContact CG2-CD1 3.46Å; I580-I597 VanDerWaalsContact CG2-CD1 3.46Å; I580-I597 HydrophobicContact CG2-CG1 3.93Å
581	N	84.2	Confident	79.4	Confident	60 Å²	60	69.4 Å²	69.4	32%	0.321	36%	0.357	S	S	.	.	H	α-helix	trans	-64.3	-39.2	179.6	-166.1	19.5	0	0	0	111.6	L577 N578 Q584 Q585	L577-N581 VanDerWaalsContact O-CB 3.31Å; L577-N581 WeakPolarHBondContact O-CB 3.47Å; L577-N581 PolarHBondContact O-N 2.81Å; N578-N581 PolarHBondContact O-N 3.05Å; N581-Q584 WeakPolarHBondContact O-CB 3.23Å; N581-Q584 PolarHBondContact O-N 3.32Å; N581-Q585 WeakPolarHBondContact O-CG 3.1Å; N581-Q585 PolarHBondContact O-N 3.49Å
582	N	84.3	Confident	78.8	Confident	105 Å²	105	72.3 Å²	72.3	56%	0.561	37%	0.368	S	S	*	.	H	α-helix	trans	-63.8	-40.5	173.6	-70.6	-18.1	0	0	0	111.7	N578 E579 I580 Q584 Q585	N578-N582 WeakPolarHBondContact O-CB 3.34Å; N578-N582 PolarHBondContact O-N 3.35Å; N578-N582 PolarHBondContact O-ND2 3.05Å; E579-N582 PolarHBondContact O-N 3.47Å; I580-N582 VanDerWaalsContact C-N 3.33Å; I580-N582 PolarHBondContact O-N 3.14Å; N582-Q584 VanDerWaalsContact C-N 3.34Å; N582-Q585 PolarHBondContact O-N 3.49Å
583	F	82.3	Confident	78.5	Confident	17 Å²	17	68.3 Å²	68.3	8%	0.075	35%	0.347	C	S	.	.	H	α-helix	trans	-67.7	-32.3	174	-178.1	-98.5	0	0	0	112.9	I273 F277 A286 C287 L290 E579 I580 S586 F590	I273-F583 HydrophobicContact CG2-CE1 4.43Å; F277-F583 HydrophobicContact CE2-CZ 4.03Å; F277-F583 HydrophobicContact CZ-CZ 4.37Å; A286-F583 HydrophobicContact CB-CD2 3.97Å; A286-F583 HydrophobicContact CB-CE2 3.89Å; C287-F583 HydrophobicContact CB-CE2 4.28Å; C287-F583 HydrophobicContact CB-CZ 3.83Å; L290-F583 HydrophobicContact CD1-CB 3.55Å; L290-F583 HydrophobicContact CD1-CD1 3.64Å; L290-F583 HydrophobicContact CD1-CD2 4.03Å; L290-F583 HydrophobicContact CD1-CE1 4.35Å; L290-F583 HydrophobicContact CD1-CG 3.46Å; L290-F583 VanDerWaalsContact CD1-CG 3.46Å; E579-F583 PolarHBondContact O-N 3.49Å; I580-F583 CarbonylContact O-C 3.53Å; I580-F583 WeakPolarHBondContact O-CB 3.4Å; I580-F583 PolarHBondContact O-N 3.06Å; F583-S586 PolarHBondContact O-N 2.84Å; F583-S586 PolarHBondContact O-OG 2.8Å; F583-F590 HydrophobicContact CD1-CE2 4.23Å; F583-F590 HydrophobicContact CE1-CD2 4.2Å; F583-F590 AromaticContact CE1-CE2 3.54Å; F583-F590 HydrophobicContact CE1-CE2 3.54Å; F583-F590 HydrophobicContact CE1-CZ 4.23Å; F583-F590 HydrophobicContact CZ-CE2 4.12Å
584	Q	78.6	Confident	78.2	Confident	42 Å²	42	71.4 Å²	71.4	20%	0.196	36%	0.362	C	S	.	.	H	α-helix	trans	-67.4	-39.9	174.4	-172.1	-151.6	-47.7	0	0	111.4	I580 N581 N582 S586 S587 I594	I580-Q584 WeakPolarHBondContact O-CB 3.3Å; I580-Q584 PolarHBondContact O-N 2.99Å; N581-Q584 WeakPolarHBondContact O-CB 3.23Å; N581-Q584 PolarHBondContact O-N 3.32Å; N582-Q584 VanDerWaalsContact C-N 3.34Å; Q584-S586 PolarHBondContact O-N 3.36Å; Q584-S587 CarbonylContact O-C 3.36Å; Q584-S587 PolarHBondContact O-N 2.9Å; Q584-I594 HydrophobicContact CG-CG1 4.35Å; Q584-I594 VanDerWaalsContact NE2-CG1 3.3Å
585	Q	74.7	Confident	78	Confident	143 Å²	143	72.9 Å²	72.9	67%	0.668	37%	0.371	S	S	*	.	H	α-helix	trans	-63.7	-27.4	179.8	-73	-179.8	16.9	0	0	113.1	N581 N582 S587	N581-Q585 WeakPolarHBondContact O-CG 3.1Å; N581-Q585 PolarHBondContact O-N 3.49Å; N582-Q585 PolarHBondContact O-N 3.49Å; Q585-S587 VanDerWaalsContact C-N 3.33Å
586	S	68.3	Low	77.8	Confident	88 Å²	88	69.4 Å²	69.4	62%	0.615	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-13.1	175.4	60.6	0	0	0	0	113.8	F583 Q584	F583-S586 PolarHBondContact O-N 2.84Å; F583-S586 PolarHBondContact O-OG 2.8Å; Q584-S586 PolarHBondContact O-N 3.36Å
587	S	62.9	Low	77.7	Confident	23 Å²	23	69.9 Å²	69.9	16%	0.161	36%	0.355	C	S	.	.			trans	-142.6	107.9	-176.5	168.7	0	0	0	0	112.9	Q584 Q585 N589 F590	Q584-S587 CarbonylContact O-C 3.36Å; Q584-S587 PolarHBondContact O-N 2.9Å; Q585-S587 VanDerWaalsContact C-N 3.33Å; S587-N589 PolarHBondContact O-N 3.39Å; S587-F590 VanDerWaalsContact OG-CD2 3.23Å; S587-F590 WeakPolarHBondContact OG-CD2 3.44Å; S587-F590 WeakPolarHBondContact OG-CE2 3.27Å; S587-F590 WeakPolarHBondContact OG-CZ 3.35Å
588	K	59.5	Low	77.6	Confident	192 Å²	192	73.9 Å²	73.9	84%	0.835	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-8.4	-178.6	-70.7	-176.7	178.5	178.7	0	114.9	F590	K588-F590 VanDerWaalsContact C-N 3.33Å; K588-F590 PolarHBondContact O-N 3.22Å
589	N	62	Low	77.7	Confident	142 Å²	142	73.4 Å²	73.4	76%	0.759	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	11.4	-169.6	-72	-11	0	0	0	114.7	S587	S587-N589 PolarHBondContact O-N 3.39Å
590	F	72.1	Confident	77.8	Confident	15 Å²	15	69.3 Å²	69.3	7%	0.066	35%	0.349	C	S	.	.			trans	-113.6	47.5	-168.5	-56.1	-41.8	0	0	0	115.3	I273 F277 F583 S587 K588 N592 L593 I594	I273-F590 HydrophobicContact CB-CD1 4.49Å; I273-F590 HydrophobicContact CB-CE1 3.95Å; I273-F590 HydrophobicContact CB-CZ 4.39Å; I273-F590 HydrophobicContact CD1-CB 4.45Å; I273-F590 HydrophobicContact CD1-CD1 3.41Å; I273-F590 VanDerWaalsContact CD1-CD1 3.41Å; I273-F590 HydrophobicContact CD1-CE1 3.76Å; I273-F590 HydrophobicContact CD1-CG 3.98Å; I273-F590 HydrophobicContact CD1-CZ 4.49Å; I273-F590 HydrophobicContact CG1-CD1 3.66Å; I273-F590 HydrophobicContact CG1-CE1 3.56Å; I273-F590 HydrophobicContact CG1-CZ 4.4Å; I273-F590 HydrophobicContact CG2-CD1 4.04Å; I273-F590 HydrophobicContact CG2-CE1 3.21Å; I273-F590 HydrophobicContact CG2-CE2 4.04Å; I273-F590 HydrophobicContact CG2-CZ 3.21Å; F277-F590 AromaticContact CE2-CZ 3.99Å; F277-F590 HydrophobicContact CE2-CZ 3.99Å; F277-F590 HydrophobicContact CZ-CE2 4.39Å; F277-F590 AromaticContact CZ-CZ 3.73Å; F277-F590 HydrophobicContact CZ-CZ 3.73Å; F583-F590 HydrophobicContact CD1-CE2 4.23Å; F583-F590 HydrophobicContact CE1-CD2 4.2Å; F583-F590 AromaticContact CE1-CE2 3.54Å; F583-F590 HydrophobicContact CE1-CE2 3.54Å; F583-F590 HydrophobicContact CE1-CZ 4.23Å; F583-F590 HydrophobicContact CZ-CE2 4.12Å; S587-F590 VanDerWaalsContact OG-CD2 3.23Å; S587-F590 WeakPolarHBondContact OG-CD2 3.44Å; S587-F590 WeakPolarHBondContact OG-CE2 3.27Å; S587-F590 WeakPolarHBondContact OG-CZ 3.35Å; K588-F590 VanDerWaalsContact C-N 3.33Å; K588-F590 PolarHBondContact O-N 3.22Å; F590-N592 PolarHBondContact O-N 2.9Å; F590-N592 VanDerWaalsContact O-N 3.12Å; F590-L593 HydrophobicContact CB-CB 4.08Å; F590-L593 HydrophobicContact CB-CD1 3.78Å; F590-L593 HydrophobicContact CB-CG 4.05Å; F590-L593 HydrophobicContact CD2-CD1 4.09Å; F590-L593 HydrophobicContact CG-CD1 3.97Å; F590-L593 WeakPolarHBondContact O-CB 3.31Å; F590-L593 PolarHBondContact O-N 3.37Å; F590-I594 PolarHBondContact O-N 3.37Å
591	F	71.6	Confident	77.8	Confident	162 Å²	162	73.1 Å²	73.1	71%	0.711	37%	0.37	S	S	*	.	H	α-helix	trans	-52.8	-33.9	175.4	-75.5	-76.7	0	0	0	113.6	L593 I594 N595	F591-L593 PolarHBondContact O-N 3.24Å; F591-I594 HydrophobicContact CD1-CD1 4.23Å; F591-I594 WeakPolarHBondContact O-CB 3.47Å; F591-I594 PolarHBondContact O-N 3.1Å; F591-N595 PolarHBondContact O-N 3Å
592	N	73.7	Confident	78	Confident	121 Å²	121	74.9 Å²	74.9	65%	0.647	38%	0.375	S	S	*	.	H	α-helix	trans	-68.1	-32.1	177.7	-69.8	-13	0	0	0	113	T269 F590 I594 I596	T269-N592 HydrophobicContact CG2-CB 4.06Å; F590-N592 PolarHBondContact O-N 2.9Å; F590-N592 VanDerWaalsContact O-N 3.12Å; N592-I594 VanDerWaalsContact C-N 3.35Å; N592-I596 WeakPolarHBondContact O-CD1 3.36Å; N592-I596 WeakPolarHBondContact O-CG1 3.09Å; N592-I596 PolarHBondContact O-N 3.34Å
593	L	80.2	Confident	78.2	Confident	0 Å²	0	70 Å²	70	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-67	-38	174.4	-73.6	-179.4	0	0	0	111.1	L266 T269 L270 I273 F590 F591 N595 I596 I597	L266-L593 HydrophobicContact CD1-CD2 3.58Å; T269-L593 HydrophobicContact CG2-CD2 3.89Å; T269-L593 HydrophobicContact CG2-CG 4.29Å; L270-L593 HydrophobicContact CD2-CD1 4.41Å; L270-L593 HydrophobicContact CD2-CD2 4.15Å; L270-L593 HydrophobicContact CG-CD2 4.46Å; I273-L593 HydrophobicContact CD1-CD1 3.68Å; I273-L593 HydrophobicContact CD1-CD2 4.21Å; I273-L593 HydrophobicContact CD1-CG 3.71Å; F590-L593 HydrophobicContact CB-CB 4.08Å; F590-L593 HydrophobicContact CB-CD1 3.78Å; F590-L593 HydrophobicContact CB-CG 4.05Å; F590-L593 HydrophobicContact CD2-CD1 4.09Å; F590-L593 HydrophobicContact CG-CD1 3.97Å; F590-L593 WeakPolarHBondContact O-CB 3.31Å; F590-L593 PolarHBondContact O-N 3.37Å; F591-L593 PolarHBondContact O-N 3.24Å; L593-N595 VanDerWaalsContact C-N 3.34Å; L593-N595 PolarHBondContact O-N 3.06Å; L593-I596 PolarHBondContact O-N 2.83Å; L593-I597 HydrophobicContact CB-CD1 4.38Å; L593-I597 WeakPolarHBondContact O-CB 3.35Å; L593-I597 WeakPolarHBondContact O-CD1 3.45Å; L593-I597 WeakPolarHBondContact O-CG1 3.39Å; L593-I597 PolarHBondContact O-N 2.78Å
594	I	79.7	Confident	78.5	Confident	65 Å²	65	69.8 Å²	69.8	33%	0.333	35%	0.348	S	S	.	.	H	α-helix	trans	-56.6	-49.4	179.6	-61.3	176.9	0	0	0	110.8	Q584 F590 F591 N592 I596 I597 E598	Q584-I594 HydrophobicContact CG-CG1 4.35Å; Q584-I594 VanDerWaalsContact NE2-CG1 3.3Å; F590-I594 PolarHBondContact O-N 3.37Å; F591-I594 HydrophobicContact CD1-CD1 4.23Å; F591-I594 WeakPolarHBondContact O-CB 3.47Å; F591-I594 PolarHBondContact O-N 3.1Å; N592-I594 VanDerWaalsContact C-N 3.35Å; I594-I596 VanDerWaalsContact C-N 3.34Å; I594-I596 PolarHBondContact O-N 3.49Å; I594-I597 PolarHBondContact O-N 3.37Å; I594-E598 WeakPolarHBondContact O-CB 3.29Å; I594-E598 PolarHBondContact O-N 2.79Å
595	N	82.7	Confident	78.8	Confident	95 Å²	95	72.3 Å²	72.3	51%	0.508	36%	0.362	S	S	.	.	H	α-helix	trans	-62.9	-42.5	-179	-168.9	11	0	0	0	110.9	F591 L593 E598 Q599	F591-N595 PolarHBondContact O-N 3Å; L593-N595 VanDerWaalsContact C-N 3.34Å; L593-N595 PolarHBondContact O-N 3.06Å; N595-E598 PolarHBondContact O-N 2.73Å; N595-Q599 VanDerWaalsContact O-CG 3.22Å; N595-Q599 WeakPolarHBondContact O-CG 3.43Å; N595-Q599 PolarHBondContact O-N 3.36Å
596	I	84.8	Confident	79.3	Confident	15 Å²	15	68.6 Å²	68.6	8%	0.077	35%	0.347	C	S	.	.	H	α-helix	trans	-64.6	-45.6	178.8	-60.6	161.5	0	0	0	111.1	I265 L266 T269 N592 L593 I594 E598 Q599 I600	I265-I596 HydrophobicContact CG2-CD1 3.68Å; I265-I596 HydrophobicContact CG2-CG1 3.92Å; L266-I596 HydrophobicContact CB-CG2 4.18Å; L266-I596 HydrophobicContact CD1-CG2 4.08Å; T269-I596 HydrophobicContact CG2-CD1 4.1Å; T269-I596 WeakPolarHBondContact OG1-CD1 3.39Å; N592-I596 WeakPolarHBondContact O-CD1 3.36Å; N592-I596 WeakPolarHBondContact O-CG1 3.09Å; N592-I596 PolarHBondContact O-N 3.34Å; L593-I596 PolarHBondContact O-N 2.83Å; I594-I596 VanDerWaalsContact C-N 3.34Å; I594-I596 PolarHBondContact O-N 3.49Å; I596-E598 VanDerWaalsContact C-N 3.31Å; I596-E598 PolarHBondContact O-N 3.28Å; I596-Q599 PolarHBondContact O-N 3.34Å; I596-I600 HydrophobicContact CG2-CD1 3.99Å; I596-I600 HydrophobicContact CG2-CG1 4.47Å; I596-I600 WeakPolarHBondContact O-CG1 3.4Å; I596-I600 PolarHBondContact O-N 2.99Å
597	I	85.2	Confident	80.2	Confident	12 Å²	12	64.4 Å²	64.4	6%	0.062	32%	0.317	C	S	.	.	H	α-helix	trans	-60.7	-42	177.1	-65.3	163	0	0	0	110.5	L577 I580 L593 I594 Q599 I600 N601	L577-I597 HydrophobicContact CD2-CG2 4.48Å; I580-I597 HydrophobicContact CB-CD1 4.27Å; I580-I597 HydrophobicContact CG2-CD1 3.46Å; I580-I597 VanDerWaalsContact CG2-CD1 3.46Å; I580-I597 HydrophobicContact CG2-CG1 3.93Å; L593-I597 HydrophobicContact CB-CD1 4.38Å; L593-I597 WeakPolarHBondContact O-CB 3.35Å; L593-I597 WeakPolarHBondContact O-CD1 3.45Å; L593-I597 WeakPolarHBondContact O-CG1 3.39Å; L593-I597 PolarHBondContact O-N 2.78Å; I594-I597 PolarHBondContact O-N 3.37Å; I597-Q599 VanDerWaalsContact C-N 3.33Å; I597-Q599 PolarHBondContact O-N 3.38Å; I597-I600 PolarHBondContact O-N 2.75Å; I597-N601 WeakPolarHBondContact O-CB 3.43Å; I597-N601 PolarHBondContact O-N 3.14Å; I597-N601 PolarHBondContact O-ND2 2.8Å
598	E	86	Confident	81.3	Confident	89 Å²	89	66.5 Å²	66.5	42%	0.416	33%	0.327	S	S	.	.	H	α-helix	trans	-62.6	-40.4	176.9	-165	-170	149.4	0	0	111.7	I594 N595 I596 N601 K602	I594-E598 WeakPolarHBondContact O-CB 3.29Å; I594-E598 PolarHBondContact O-N 2.79Å; N595-E598 PolarHBondContact O-N 2.73Å; I596-E598 VanDerWaalsContact C-N 3.31Å; I596-E598 PolarHBondContact O-N 3.28Å; E598-N601 PolarHBondContact O-N 3Å; E598-K602 WeakPolarHBondContact O-CG 3.24Å; E598-K602 PolarHBondContact O-N 3.47Å; E598-K602 VanDerWaalsContact OE1-CE 3.23Å; E598-K602 WeakPolarHBondContact OE1-CE 3.49Å; E598-K602 IonicContact OE1-NZ 3.89Å; E598-K602 PolarHBondContact OE1-NZ 3.06Å
599	Q	87.5	Confident	82.6	Confident	69 Å²	69	62.8 Å²	62.8	32%	0.322	31%	0.312	S	S	.	.	H	α-helix	trans	-66.4	-42.9	176.1	-64.7	-65.4	-21	0	0	112	Y262 N595 I596 I597 N601 K602 S603	Y262-Q599 HydrophobicContact CD1-CB 4.25Å; Y262-Q599 HydrophobicContact CE1-CB 3.52Å; Y262-Q599 HydrophobicContact CE1-CG 4.39Å; N595-Q599 VanDerWaalsContact O-CG 3.22Å; N595-Q599 WeakPolarHBondContact O-CG 3.43Å; N595-Q599 PolarHBondContact O-N 3.36Å; I596-Q599 PolarHBondContact O-N 3.34Å; I597-Q599 VanDerWaalsContact C-N 3.33Å; I597-Q599 PolarHBondContact O-N 3.38Å; Q599-N601 VanDerWaalsContact C-N 3.33Å; Q599-N601 PolarHBondContact O-N 2.61Å; Q599-K602 PolarHBondContact O-N 3.01Å; Q599-S603 PolarHBondContact O-N 3.31Å
600	I	88.2	Confident	83.7	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-64	-41.3	175.3	-58.6	165.4	0	0	0	110.2	L259 Y262 L297 I573 L577 I596 I597 K602 S603 L604	L259-I600 HydrophobicContact CD2-CG2 4.34Å; Y262-I600 HydrophobicContact CD1-CG1 4.42Å; Y262-I600 HydrophobicContact CD2-CG1 3.83Å; Y262-I600 HydrophobicContact CG-CG1 3.74Å; L297-I600 HydrophobicContact CD1-CD1 4Å; I573-I600 HydrophobicContact CG2-CG2 4.27Å; L577-I600 HydrophobicContact CD1-CB 4.42Å; L577-I600 HydrophobicContact CD1-CG2 3.8Å; L577-I600 HydrophobicContact CD2-CB 4.03Å; L577-I600 HydrophobicContact CD2-CD1 3.92Å; L577-I600 HydrophobicContact CD2-CG2 3.88Å; L577-I600 HydrophobicContact CG-CG2 4.3Å; I596-I600 HydrophobicContact CG2-CD1 3.99Å; I596-I600 HydrophobicContact CG2-CG1 4.47Å; I596-I600 WeakPolarHBondContact O-CG1 3.4Å; I596-I600 PolarHBondContact O-N 2.99Å; I597-I600 PolarHBondContact O-N 2.75Å; I600-K602 VanDerWaalsContact C-N 3.32Å; I600-K602 PolarHBondContact O-N 3.02Å; I600-S603 CarbonylContact O-C 3.58Å; I600-S603 PolarHBondContact O-N 2.77Å; I600-S603 VanDerWaalsContact O-N 3.13Å; I600-L604 PolarHBondContact O-N 3.07Å
601	N	86.4	Confident	84.4	Confident	80 Å²	80	56.4 Å²	56.4	43%	0.428	28%	0.279	S	S	.	.	H	α-helix	trans	-61.6	-37.4	174.9	-83.2	-29.5	0	0	0	112.7	L577 I597 E598 Q599 L604	L577-N601 WeakPolarHBondContact CD1-OD1 3.26Å; I597-N601 WeakPolarHBondContact O-CB 3.43Å; I597-N601 PolarHBondContact O-N 3.14Å; I597-N601 PolarHBondContact O-ND2 2.8Å; E598-N601 PolarHBondContact O-N 3Å; Q599-N601 VanDerWaalsContact C-N 3.33Å; Q599-N601 PolarHBondContact O-N 2.61Å; N601-L604 WeakPolarHBondContact O-CB 3.19Å; N601-L604 PolarHBondContact O-N 3.22Å
602	K	88.2	Confident	85	Confident	98 Å²	98	56.2 Å²	56.2	43%	0.426	28%	0.278	S	S	.	.	H	α-helix	trans	-65.3	-42.6	172	-75.2	172.6	-174.7	164.1	0	111.4	E598 Q599 I600 L604 I605	E598-K602 WeakPolarHBondContact O-CG 3.24Å; E598-K602 PolarHBondContact O-N 3.47Å; E598-K602 VanDerWaalsContact OE1-CE 3.23Å; E598-K602 WeakPolarHBondContact OE1-CE 3.49Å; E598-K602 IonicContact OE1-NZ 3.89Å; E598-K602 PolarHBondContact OE1-NZ 3.06Å; Q599-K602 PolarHBondContact O-N 3.01Å; I600-K602 VanDerWaalsContact C-N 3.32Å; I600-K602 PolarHBondContact O-N 3.02Å; K602-L604 VanDerWaalsContact C-N 3.28Å; K602-L604 PolarHBondContact O-N 2.93Å; K602-I605 VanDerWaalsContact O-CB 3.26Å; K602-I605 WeakPolarHBondContact O-CB 3.19Å; K602-I605 PolarHBondContact O-N 3.22Å
603	S	88	Confident	85.3	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.007	27%	0.269	C	S	.	.	H	α-helix	trans	-66	-29	176.8	-170.8	0	0	0	0	112.4	Y255 E258 Q599 I600 I605 N606 Y607	Y255-S603 WeakPolarHBondContact CD2-OG 3.23Å; Y255-S603 WeakPolarHBondContact CE2-O 3.49Å; Y255-S603 WeakPolarHBondContact CE2-OG 3.36Å; E258-S603 PolarHBondContact OE2-OG 2.88Å; Q599-S603 PolarHBondContact O-N 3.31Å; I600-S603 CarbonylContact O-C 3.58Å; I600-S603 PolarHBondContact O-N 2.77Å; I600-S603 VanDerWaalsContact O-N 3.13Å; S603-I605 PolarHBondContact O-N 2.82Å; S603-N606 WeakPolarHBondContact O-CA 3.08Å; S603-N606 WeakPolarHBondContact O-CB 3.48Å; S603-N606 PolarHBondContact O-N 3.38Å; S603-Y607 PolarHBondContact O-N 2.9Å
604	L	87.8	Confident	85.4	Confident	13 Å²	13	53.7 Å²	53.7	7%	0.068	27%	0.27	C	S	.	.	H	α-helix	trans	-61.3	-23.6	170.1	-76.4	175.4	0	0	0	113.5	Q570 I573 I574 L577 I600 N601 K602 N608	Q570-L604 HydrophobicContact CG-CD2 4.32Å; I573-L604 HydrophobicContact CB-CD2 4.43Å; I573-L604 HydrophobicContact CG2-CD1 4.44Å; I573-L604 HydrophobicContact CG2-CD2 3.98Å; I573-L604 HydrophobicContact CG2-CG 4.48Å; I574-L604 HydrophobicContact CG1-CD1 4.08Å; L577-L604 HydrophobicContact CD1-CD1 3.53Å; I600-L604 PolarHBondContact O-N 3.07Å; N601-L604 WeakPolarHBondContact O-CB 3.19Å; N601-L604 PolarHBondContact O-N 3.22Å; K602-L604 VanDerWaalsContact C-N 3.28Å; K602-L604 PolarHBondContact O-N 2.93Å; L604-N608 PolarHBondContact O-N 3.22Å; L604-N608 VanDerWaalsContact O-N 3.07Å; L604-N608 PolarHBondContact O-ND2 3.4Å; L604-N608 VanDerWaalsContact O-ND2 3.09Å
605	I	86.4	Confident	85.5	Confident	96 Å²	96	56.7 Å²	56.7	49%	0.492	28%	0.28	S	S	.	.	H	α-helix	trans	-68.4	-43.4	171.5	-57.9	173.5	0	0	0	110	K602 S603 Y607 N608 Q609	K602-I605 VanDerWaalsContact O-CB 3.26Å; K602-I605 WeakPolarHBondContact O-CB 3.19Å; K602-I605 PolarHBondContact O-N 3.22Å; S603-I605 PolarHBondContact O-N 2.82Å; I605-Y607 VanDerWaalsContact C-N 3.34Å; I605-Y607 PolarHBondContact O-N 3.38Å; I605-N608 WeakPolarHBondContact O-CB 3.45Å; I605-N608 PolarHBondContact O-N 3.11Å; I605-Q609 WeakPolarHBondContact O-CG 3.17Å; I605-Q609 PolarHBondContact O-N 3.19Å; I605-Q609 VanDerWaalsContact O-N 3.13Å
606	N	85.4	Confident	85.5	Confident	65 Å²	65	55 Å²	55	35%	0.348	27%	0.274	S	S	.	.	H	α-helix	trans	-61.8	-43.6	174.8	-66.4	-8.7	0	0	0	110.5	S603 N608 Q609 I610	S603-N606 WeakPolarHBondContact O-CA 3.08Å; S603-N606 WeakPolarHBondContact O-CB 3.48Å; S603-N606 PolarHBondContact O-N 3.38Å; N606-N608 VanDerWaalsContact C-N 3.3Å; N606-N608 PolarHBondContact O-N 3.43Å; N606-Q609 WeakPolarHBondContact O-CA 3.4Å; N606-Q609 WeakPolarHBondContact O-CB 3.2Å; N606-Q609 PolarHBondContact O-N 2.77Å; N606-I610 WeakPolarHBondContact O-CG1 3.26Å; N606-I610 PolarHBondContact O-N 3.34Å
607	Y	87	Confident	85.4	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-55.4	-43.8	174.1	-178.7	-86.5	0	0	0	113.1	Y255 F566 I567 Q570 S603 I605 Q609 I610 T611	Y255-Y607 HydrophobicContact CD1-CD2 4.06Å; Y255-Y607 AromaticContact CE1-CD2 3.39Å; Y255-Y607 HydrophobicContact CE1-CD2 3.39Å; Y255-Y607 HydrophobicContact CE1-CE2 4.14Å; Y255-Y607 HydrophobicContact CE1-CG 4.27Å; Y255-Y607 HydrophobicContact CE2-CD2 4.37Å; Y255-Y607 AromaticContact CZ-CD2 3.57Å; F566-Y607 HydrophobicContact CD1-CE2 4.19Å; F566-Y607 HydrophobicContact CE1-CD2 4.02Å; F566-Y607 AromaticContact CE1-CE2 3.61Å; F566-Y607 HydrophobicContact CE1-CE2 3.61Å; F566-Y607 HydrophobicContact CE2-CD2 4.46Å; F566-Y607 HydrophobicContact CE2-CE2 4.07Å; F566-Y607 AromaticContact CZ-CD2 3.73Å; F566-Y607 HydrophobicContact CZ-CD2 3.73Å; F566-Y607 AromaticContact CZ-CE2 3.56Å; F566-Y607 HydrophobicContact CZ-CE2 3.56Å; F566-Y607 PolarHBondContact O-OH 3.46Å; I567-Y607 WeakPolarHBondContact CA-OH 3.45Å; I567-Y607 PolarHBondContact O-OH 3.13Å; Q570-Y607 HydrophobicContact CB-CD1 4.08Å; Q570-Y607 HydrophobicContact CB-CE1 3.34Å; Q570-Y607 HydrophobicContact CG-CD1 3.65Å; Q570-Y607 HydrophobicContact CG-CE1 3.42Å; Q570-Y607 VanDerWaalsContact CG-CE1 3.42Å; Q570-Y607 PolarHBondContact N-OH 2.61Å; Q570-Y607 VanDerWaalsContact OE1-CE1 3.32Å; S603-Y607 PolarHBondContact O-N 2.9Å; I605-Y607 VanDerWaalsContact C-N 3.34Å; I605-Y607 PolarHBondContact O-N 3.38Å; Y607-Q609 VanDerWaalsContact C-N 3.29Å; Y607-Q609 PolarHBondContact O-N 2.75Å; Y607-I610 PolarHBondContact O-N 3.36Å; Y607-T611 WeakPolarHBondContact CE1-OG1 3.49Å; Y607-T611 WeakPolarHBondContact O-CB 3.22Å; Y607-T611 PolarHBondContact O-N 3.19Å; Y607-T611 PolarHBondContact O-OG1 3.49Å
608	N	85.8	Confident	85.3	Confident	67 Å²	67	54.4 Å²	54.4	36%	0.358	27%	0.272	S	S	.	.	H	α-helix	trans	-62.7	-36.3	176.6	-79.7	-43.8	0	0	0	112	Q570 L604 I605 N606 K612	Q570-N608 PolarHBondContact NE2-OD1 3.24Å; L604-N608 PolarHBondContact O-N 3.22Å; L604-N608 VanDerWaalsContact O-N 3.07Å; L604-N608 PolarHBondContact O-ND2 3.4Å; L604-N608 VanDerWaalsContact O-ND2 3.09Å; I605-N608 WeakPolarHBondContact O-CB 3.45Å; I605-N608 PolarHBondContact O-N 3.11Å; N606-N608 VanDerWaalsContact C-N 3.3Å; N606-N608 PolarHBondContact O-N 3.43Å; N608-K612 WeakPolarHBondContact O-CB 3.13Å; N608-K612 VanDerWaalsContact O-CG 3.3Å; N608-K612 WeakPolarHBondContact O-CG 3.26Å; N608-K612 PolarHBondContact O-N 3Å
609	Q	86.3	Confident	85.1	Confident	114 Å²	114	54.7 Å²	54.7	53%	0.533	28%	0.276	S	S	.	.	H	α-helix	trans	-68.4	-42.5	175.4	-67.3	176.5	-6.2	0	0	111.7	I605 N606 Y607 K612 S613	I605-Q609 WeakPolarHBondContact O-CG 3.17Å; I605-Q609 PolarHBondContact O-N 3.19Å; I605-Q609 VanDerWaalsContact O-N 3.13Å; N606-Q609 WeakPolarHBondContact O-CA 3.4Å; N606-Q609 WeakPolarHBondContact O-CB 3.2Å; N606-Q609 PolarHBondContact O-N 2.77Å; Y607-Q609 VanDerWaalsContact C-N 3.29Å; Y607-Q609 PolarHBondContact O-N 2.75Å; Q609-K612 PolarHBondContact O-N 3.45Å; Q609-S613 PolarHBondContact O-N 3.09Å; Q609-S613 VanDerWaalsContact O-N 3.12Å; Q609-S613 PolarHBondContact O-OG 2.92Å
610	I	86	Confident	84.8	Confident	11 Å²	11	52.6 Å²	52.6	6%	0.056	27%	0.267	C	S	.	.	H	α-helix	trans	-59.6	-50.2	174.1	-64.3	170	0	0	0	109.6	L248 D251 V252 Y255 F566 N606 Y607 K612 S613 I614	L248-I610 HydrophobicContact CD1-CG2 3.91Å; D251-I610 HydrophobicContact CB-CD1 4.09Å; D251-I610 HydrophobicContact CB-CG1 4.06Å; V252-I610 HydrophobicContact CG2-CG2 3.84Å; Y255-I610 HydrophobicContact CG-CD1 4.26Å; F566-I610 HydrophobicContact CE1-CG2 3.71Å; F566-I610 HydrophobicContact CZ-CG2 4.2Å; N606-I610 WeakPolarHBondContact O-CG1 3.26Å; N606-I610 PolarHBondContact O-N 3.34Å; Y607-I610 PolarHBondContact O-N 3.36Å; I610-K612 VanDerWaalsContact C-N 3.33Å; I610-K612 PolarHBondContact O-N 3.38Å; I610-S613 WeakPolarHBondContact O-CA 3.33Å; I610-S613 WeakPolarHBondContact O-CB 3.32Å; I610-S613 PolarHBondContact O-N 2.57Å; I610-I614 HydrophobicContact CG2-CD1 3.68Å; I610-I614 HydrophobicContact CG2-CG1 4.23Å; I610-I614 VanDerWaalsContact O-CG1 3.31Å; I610-I614 WeakPolarHBondContact O-CG1 3.38Å; I610-I614 PolarHBondContact O-N 2.83Å
611	T	84.9	Confident	84.4	Confident	11 Å²	11	52.6 Å²	52.6	7%	0.067	27%	0.267	C	S	.	.	H	α-helix	trans	-60.3	-38.9	-179.9	-61.3	0	0	0	0	112.9	I567 Y607 S613 I614 K615	I567-T611 HydrophobicContact CD1-CG2 4.44Å; I567-T611 HydrophobicContact CG1-CG2 4.11Å; I567-T611 HydrophobicContact CG2-CG2 4.09Å; Y607-T611 WeakPolarHBondContact CE1-OG1 3.49Å; Y607-T611 WeakPolarHBondContact O-CB 3.22Å; Y607-T611 PolarHBondContact O-N 3.19Å; Y607-T611 PolarHBondContact O-OG1 3.49Å; T611-S613 VanDerWaalsContact C-N 3.29Å; T611-S613 PolarHBondContact O-N 2.72Å; T611-I614 PolarHBondContact O-N 3.46Å; T611-K615 PolarHBondContact O-N 2.97Å
612	K	84.6	Confident	84.1	Confident	158 Å²	158	53.7 Å²	53.7	69%	0.687	27%	0.269	S	S	*	.	H	α-helix	trans	-64	-35.1	174	-78.2	176.2	-179.2	-178.3	0	112.4	N608 Q609 I610 P616	N608-K612 WeakPolarHBondContact O-CB 3.13Å; N608-K612 VanDerWaalsContact O-CG 3.3Å; N608-K612 WeakPolarHBondContact O-CG 3.26Å; N608-K612 PolarHBondContact O-N 3Å; Q609-K612 PolarHBondContact O-N 3.45Å; I610-K612 VanDerWaalsContact C-N 3.33Å; I610-K612 PolarHBondContact O-N 3.38Å; K612-P616 WeakPolarHBondContact O-CD 3.2Å
613	S	81	Confident	83.5	Confident	67 Å²	67	53.7 Å²	53.7	47%	0.469	27%	0.269	S	S	.	.	H	α-helix	trans	-75.4	-30.2	178	-56.7	0	0	0	0	112.4	Q609 I610 T611	Q609-S613 PolarHBondContact O-N 3.09Å; Q609-S613 VanDerWaalsContact O-N 3.12Å; Q609-S613 PolarHBondContact O-OG 2.92Å; I610-S613 WeakPolarHBondContact O-CA 3.33Å; I610-S613 WeakPolarHBondContact O-CB 3.32Å; I610-S613 PolarHBondContact O-N 2.57Å; T611-S613 VanDerWaalsContact C-N 3.29Å; T611-S613 PolarHBondContact O-N 2.72Å
614	I	82.4	Confident	82.9	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-71.5	-43.4	178.8	-75.2	175	0	0	0	112.7	L248 I563 F566 I567 I610 T611 L617 I618	L248-I614 HydrophobicContact CD1-CD1 3.89Å; L248-I614 HydrophobicContact CD1-CG1 3.43Å; L248-I614 VanDerWaalsContact CD1-CG1 3.43Å; L248-I614 HydrophobicContact CD2-CG1 3.96Å; L248-I614 HydrophobicContact CG-CG1 4.34Å; I563-I614 HydrophobicContact CG2-CB 4.46Å; I563-I614 HydrophobicContact CG2-CG2 3.06Å; F566-I614 HydrophobicContact CD1-CD1 3.7Å; F566-I614 HydrophobicContact CE1-CD1 3.92Å; I567-I614 HydrophobicContact CD1-CG2 3.78Å; I567-I614 HydrophobicContact CG1-CG2 4.29Å; I610-I614 HydrophobicContact CG2-CD1 3.68Å; I610-I614 HydrophobicContact CG2-CG1 4.23Å; I610-I614 VanDerWaalsContact O-CG1 3.31Å; I610-I614 WeakPolarHBondContact O-CG1 3.38Å; I610-I614 PolarHBondContact O-N 2.83Å; T611-I614 PolarHBondContact O-N 3.46Å; I614-L617 WeakPolarHBondContact O-CA 3.35Å; I614-L617 WeakPolarHBondContact O-CB 3.43Å; I614-L617 PolarHBondContact O-N 3.32Å; I614-I618 HydrophobicContact CG2-CD1 4.15Å; I614-I618 HydrophobicContact CG2-CG1 4.25Å; I614-I618 PolarHBondContact O-N 2.93Å; I614-I618 VanDerWaalsContact O-N 3.12Å
615	K	81.3	Confident	82.4	Confident	128 Å²	128	55.4 Å²	55.4	56%	0.557	28%	0.277	S	S	*	.	H	α-helix	trans	-54.4	-46.6	-173.7	-76.5	-178.2	-179.6	-174.5	0	114	T611 L617 I618 N619	T611-K615 PolarHBondContact O-N 2.97Å; K615-L617 PolarHBondContact O-N 2.82Å; K615-I618 PolarHBondContact O-N 3.43Å; K615-N619 PolarHBondContact O-N 3.04Å
616	P	82.8	Confident	81.8	Confident	59 Å²	59	58.6 Å²	58.6	38%	0.383	29%	0.287	S	S	.	.	H	α-helix	trans	-60.8	-28.9	173.7	-23.7	33.7	0	0	0	113.5	K612 N619 L620	K612-P616 WeakPolarHBondContact O-CD 3.2Å; P616-N619 PolarHBondContact O-N 3.48Å; P616-L620 WeakPolarHBondContact O-CG 3.32Å; P616-L620 PolarHBondContact O-N 3.46Å
617	L	82.2	Confident	81.1	Confident	2 Å²	2	56 Å²	56	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-71.3	-37.3	179.6	-159.3	74.5	0	0	0	111.6	I241 K244 L248 F308 I614 K615 N619 L620 F621	I241-L617 HydrophobicContact CB-CD1 4.4Å; I241-L617 HydrophobicContact CG1-CD1 3.82Å; K244-L617 HydrophobicContact CB-CD1 4.05Å; K244-L617 HydrophobicContact CD-CD1 4.15Å; L248-L617 HydrophobicContact CD2-CD2 3.58Å; F308-L617 HydrophobicContact CE1-CD2 4.19Å; F308-L617 HydrophobicContact CE2-CD2 4.35Å; F308-L617 HydrophobicContact CZ-CD2 3.71Å; I614-L617 WeakPolarHBondContact O-CA 3.35Å; I614-L617 WeakPolarHBondContact O-CB 3.43Å; I614-L617 PolarHBondContact O-N 3.32Å; K615-L617 PolarHBondContact O-N 2.82Å; L617-N619 VanDerWaalsContact C-N 3.33Å; L617-N619 PolarHBondContact O-N 3.44Å; L617-L620 HydrophobicContact CD1-CD1 4.34Å; L617-L620 WeakPolarHBondContact O-CB 3.22Å; L617-L620 PolarHBondContact O-N 3.29Å; L617-L620 VanDerWaalsContact O-N 3.1Å; L617-F621 HydrophobicContact CD1-CE2 4.46Å; L617-F621 HydrophobicContact CD2-CE2 3.84Å; L617-F621 HydrophobicContact CD2-CZ 4.46Å; L617-F621 HydrophobicContact CG-CD2 4.37Å; L617-F621 HydrophobicContact CG-CE2 3.59Å; L617-F621 HydrophobicContact CG-CZ 4.26Å; L617-F621 WeakPolarHBondContact O-CD2 3.32Å; L617-F621 PolarHBondContact O-N 3.16Å
618	I	82.6	Confident	80.3	Confident	14 Å²	14	58.5 Å²	58.5	7%	0.072	29%	0.285	C	S	.	.	H	α-helix	trans	-57.1	-48.2	172.8	-63.5	173.5	0	0	0	110.2	I560 I563 L564 I567 I614 K615 L620 F621 E622	I560-I618 HydrophobicContact CG2-CG2 4.25Å; I563-I618 HydrophobicContact CG2-CD1 3.82Å; I563-I618 HydrophobicContact CG2-CG1 3.78Å; L564-I618 HydrophobicContact CD2-CD1 3.93Å; L564-I618 HydrophobicContact CG-CD1 4.4Å; I567-I618 HydrophobicContact CD1-CD1 3.92Å; I614-I618 HydrophobicContact CG2-CD1 4.15Å; I614-I618 HydrophobicContact CG2-CG1 4.25Å; I614-I618 PolarHBondContact O-N 2.93Å; I614-I618 VanDerWaalsContact O-N 3.12Å; K615-I618 PolarHBondContact O-N 3.43Å; I618-L620 PolarHBondContact O-N 3.1Å; I618-F621 PolarHBondContact O-N 3.4Å; I618-E622 HydrophobicContact CG2-CG 4.44Å; I618-E622 PolarHBondContact O-N 3.12Å
619	N	83.4	Confident	79.6	Confident	94 Å²	94	59.2 Å²	59.2	50%	0.503	29%	0.288	S	S	.	.	H	α-helix	trans	-59.5	-32.3	177.8	-66.3	5.5	0	0	0	112.4	K615 P616 L617 K623	K615-N619 PolarHBondContact O-N 3.04Å; P616-N619 PolarHBondContact O-N 3.48Å; L617-N619 VanDerWaalsContact C-N 3.33Å; L617-N619 PolarHBondContact O-N 3.44Å; N619-K623 WeakPolarHBondContact O-CG 3.24Å; N619-K623 PolarHBondContact O-N 3.2Å
620	L	80.8	Confident	78.8	Confident	25 Å²	25	54 Å²	54	13%	0.131	26%	0.264	C	S	.	.	H	α-helix	trans	-72.2	-36.7	176.4	-65.3	170.4	0	0	0	111.7	A237 I240 I241 P616 L617 I618 K623 L624	A237-L620 HydrophobicContact CB-CD2 3.97Å; I240-L620 HydrophobicContact CB-CD1 3.85Å; I240-L620 HydrophobicContact CG2-CD1 3.39Å; I241-L620 HydrophobicContact CD1-CB 3.8Å; I241-L620 HydrophobicContact CG1-CB 3.95Å; I241-L620 HydrophobicContact CG1-CD1 4.29Å; P616-L620 WeakPolarHBondContact O-CG 3.32Å; P616-L620 PolarHBondContact O-N 3.46Å; L617-L620 HydrophobicContact CD1-CD1 4.34Å; L617-L620 WeakPolarHBondContact O-CB 3.22Å; L617-L620 PolarHBondContact O-N 3.29Å; L617-L620 VanDerWaalsContact O-N 3.1Å; I618-L620 PolarHBondContact O-N 3.1Å; L620-K623 PolarHBondContact O-N 3.04Å; L620-L624 WeakPolarHBondContact O-CG 3.31Å; L620-L624 PolarHBondContact O-N 3.19Å
621	F	78.3	Confident	78.1	Confident	1 Å²	1	54.4 Å²	54.4	0%	0.004	27%	0.267	C	S	.	.	H	α-helix	trans	-66.2	-41.3	171.9	-72.1	-60.6	0	0	0	112.7	I241 F308 Y556 T559 I560 I563 L617 I618 K623 L624 E625	I241-F621 HydrophobicContact CB-CZ 4.38Å; I241-F621 HydrophobicContact CD1-CD1 4.05Å; I241-F621 HydrophobicContact CD1-CE1 3.6Å; I241-F621 HydrophobicContact CD1-CZ 3.79Å; I241-F621 HydrophobicContact CG1-CE1 4.14Å; I241-F621 HydrophobicContact CG1-CZ 3.81Å; I241-F621 HydrophobicContact CG2-CE1 3.94Å; I241-F621 HydrophobicContact CG2-CZ 3.63Å; F308-F621 AromaticContact CD1-CE1 3.53Å; F308-F621 HydrophobicContact CD1-CE1 3.53Å; F308-F621 AromaticContact CD1-CE2 3.73Å; F308-F621 HydrophobicContact CD1-CE2 3.73Å; F308-F621 AromaticContact CD1-CZ 2.94Å; F308-F621 HydrophobicContact CD1-CZ 2.94Å; F308-F621 HydrophobicContact CE1-CD2 4.37Å; F308-F621 AromaticContact CE1-CE1 3.89Å; F308-F621 HydrophobicContact CE1-CE1 3.89Å; F308-F621 AromaticContact CE1-CE2 3.18Å; F308-F621 HydrophobicContact CE1-CE2 3.18Å; F308-F621 AromaticContact CE1-CZ 2.95Å; F308-F621 HydrophobicContact CE1-CZ 2.95Å; F308-F621 HydrophobicContact CG-CZ 4.03Å; F308-F621 HydrophobicContact CZ-CE2 4.07Å; F308-F621 HydrophobicContact CZ-CZ 4.07Å; Y556-F621 AromaticContact CD1-CD1 3.65Å; Y556-F621 HydrophobicContact CD1-CD1 3.65Å; Y556-F621 HydrophobicContact CD1-CE1 4.06Å; Y556-F621 HydrophobicContact CE1-CD1 4.24Å; Y556-F621 HydrophobicContact CE1-CE1 4.32Å; Y556-F621 HydrophobicContact CG-CD1 4.04Å; T559-F621 HydrophobicContact CG2-CE2 4.46Å; I560-F621 HydrophobicContact CD1-CB 3.82Å; I560-F621 HydrophobicContact CG1-CB 3.72Å; I560-F621 HydrophobicContact CG1-CG 4.38Å; I563-F621 HydrophobicContact CD1-CD2 4.38Å; I563-F621 HydrophobicContact CD1-CE2 4.17Å; L617-F621 HydrophobicContact CD1-CE2 4.46Å; L617-F621 HydrophobicContact CD2-CE2 3.84Å; L617-F621 HydrophobicContact CD2-CZ 4.46Å; L617-F621 HydrophobicContact CG-CD2 4.37Å; L617-F621 HydrophobicContact CG-CE2 3.59Å; L617-F621 HydrophobicContact CG-CZ 4.26Å; L617-F621 WeakPolarHBondContact O-CD2 3.32Å; L617-F621 PolarHBondContact O-N 3.16Å; I618-F621 PolarHBondContact O-N 3.4Å; F621-K623 VanDerWaalsContact C-N 3.27Å; F621-K623 PolarHBondContact O-N 2.77Å; F621-L624 HydrophobicContact CD1-CD1 4.38Å; F621-L624 PolarHBondContact O-N 3.33Å; F621-E625 PolarHBondContact O-N 2.81Å
622	E	80.8	Confident	77.6	Confident	102 Å²	102	60.3 Å²	60.3	48%	0.477	29%	0.292	S	S	.	.	H	α-helix	trans	-61	-39.1	175.3	-70.1	177.1	171.1	0	0	111.2	I560 I618 E625 F626	I560-E622 HydrophobicContact CD1-CG 4.25Å; I618-E622 HydrophobicContact CG2-CG 4.44Å; I618-E622 PolarHBondContact O-N 3.12Å; E622-E625 PolarHBondContact O-N 2.75Å; E622-F626 PolarHBondContact O-N 2.9Å
623	K	76.6	Confident	77	Confident	98 Å²	98	54.8 Å²	54.8	43%	0.426	27%	0.268	S	S	.	.	H	α-helix	trans	-62.1	-45.3	172.6	-79.1	-177	170.6	-150.6	0	112.7	E233 N619 L620 F621 E625 F626 N627	E233-K623 IonicContact OE1-NZ 2.7Å; N619-K623 WeakPolarHBondContact O-CG 3.24Å; N619-K623 PolarHBondContact O-N 3.2Å; L620-K623 PolarHBondContact O-N 3.04Å; F621-K623 VanDerWaalsContact C-N 3.27Å; F621-K623 PolarHBondContact O-N 2.77Å; K623-E625 PolarHBondContact O-N 3.36Å; K623-F626 PolarHBondContact O-N 3.25Å; K623-N627 PolarHBondContact O-N 3.38Å; K623-N627 VanDerWaalsContact O-N 3.12Å
624	L	75.1	Confident	76.6	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-61.2	-36.5	175	-70.3	-179.4	0	0	0	111.7	T234 A237 I241 Y556 L620 F621 N627	T234-L624 HydrophobicContact CG2-CD2 3.53Å; A237-L624 HydrophobicContact CB-CD2 4.18Å; A237-L624 HydrophobicContact CB-CG 4.41Å; I241-L624 HydrophobicContact CD1-CD1 3.43Å; I241-L624 VanDerWaalsContact CD1-CD1 3.43Å; I241-L624 HydrophobicContact CD1-CG 4.24Å; Y556-L624 HydrophobicContact CD2-CB 4.15Å; Y556-L624 HydrophobicContact CE1-CD1 4.45Å; Y556-L624 HydrophobicContact CE2-CB 3.94Å; Y556-L624 HydrophobicContact CE2-CD1 4.27Å; L620-L624 WeakPolarHBondContact O-CG 3.31Å; L620-L624 PolarHBondContact O-N 3.19Å; F621-L624 HydrophobicContact CD1-CD1 4.38Å; F621-L624 PolarHBondContact O-N 3.33Å; L624-N627 PolarHBondContact O-N 3.46Å
625	E	76.3	Confident	76.3	Confident	49 Å²	49	55.4 Å²	55.4	23%	0.229	27%	0.266	C	S	.	.	H	α-helix	trans	-68.3	-37.6	176.2	-176.4	162.7	-151.8	0	0	112.6	K557 F621 E622 K623 N627 K628	K557-E625 WeakPolarHBondContact CE-OE1 3.46Å; K557-E625 IonicContact NZ-OE1 3.89Å; F621-E625 PolarHBondContact O-N 2.81Å; E622-E625 PolarHBondContact O-N 2.75Å; K623-E625 PolarHBondContact O-N 3.36Å; E625-N627 VanDerWaalsContact C-N 3.26Å; E625-N627 PolarHBondContact O-N 3.37Å; E625-K628 HydrophobicContact CG-CD 4.16Å; E625-K628 WeakPolarHBondContact O-CB 3.23Å; E625-K628 WeakPolarHBondContact O-CD 3.19Å; E625-K628 VanDerWaalsContact O-CG 3.23Å; E625-K628 WeakPolarHBondContact O-CG 3.36Å; E625-K628 PolarHBondContact O-N 3.42Å; E625-K628 IonicContact OE1-NZ 3.19Å; E625-K628 PolarHBondContact OE1-NZ 3.23Å
626	F	74.1	Confident	76.1	Confident	162 Å²	162	54.5 Å²	54.5	71%	0.711	26%	0.264	S	S	*	.	H	α-helix	trans	-64.2	-34	174.6	-170.2	-100.1	0	0	0	112.2	E622 K623 K628	E622-F626 PolarHBondContact O-N 2.9Å; K623-F626 PolarHBondContact O-N 3.25Å; F626-K628 PolarHBondContact O-N 3.12Å
627	N	70.4	Confident	75.6	Confident	11 Å²	11	52 Å²	52	6%	0.059	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-77	4.2	-179.3	-69	-9.9	0	0	0	114.2	T234 K623 L624 E625 N629 L630	T234-N627 PolarHBondContact OG1-ND2 2.78Å; K623-N627 PolarHBondContact O-N 3.38Å; K623-N627 VanDerWaalsContact O-N 3.12Å; L624-N627 PolarHBondContact O-N 3.46Å; E625-N627 VanDerWaalsContact C-N 3.26Å; E625-N627 PolarHBondContact O-N 3.37Å; N627-N629 PolarHBondContact O-N 2.94Å; N627-N629 VanDerWaalsContact O-N 3.09Å; N627-L630 HydrophobicContact CB-CD1 3.97Å; N627-L630 HydrophobicContact CB-CG 4.38Å; N627-L630 VanDerWaalsContact O-CB 3.26Å; N627-L630 WeakPolarHBondContact O-CB 3.4Å; N627-L630 WeakPolarHBondContact O-CG 3.23Å; N627-L630 PolarHBondContact O-N 3.45Å
628	K	70.1	Confident	75.3	Confident	53 Å²	53	52.4 Å²	52.4	23%	0.23	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-56.9	-18.5	167	-72.2	176.9	178.5	173.8	0	113.2	K554 D555 E625 F626 L630	K554-K628 WeakPolarHBondContact O-CE 3.48Å; D555-K628 IonicContact OD1-NZ 2.87Å; E625-K628 HydrophobicContact CG-CD 4.16Å; E625-K628 WeakPolarHBondContact O-CB 3.23Å; E625-K628 WeakPolarHBondContact O-CD 3.19Å; E625-K628 VanDerWaalsContact O-CG 3.23Å; E625-K628 WeakPolarHBondContact O-CG 3.36Å; E625-K628 PolarHBondContact O-N 3.42Å; E625-K628 IonicContact OE1-NZ 3.19Å; E625-K628 PolarHBondContact OE1-NZ 3.23Å; F626-K628 PolarHBondContact O-N 3.12Å; K628-L630 VanDerWaalsContact C-N 3.28Å; K628-L630 PolarHBondContact O-N 2.82Å
629	N	71.5	Confident	75.2	Confident	82 Å²	82	56.1 Å²	56.1	44%	0.439	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-78.5	-5.9	174.4	-80.1	-36.4	0	0	0	114.5	N627 T631 K632 Q633	N627-N629 PolarHBondContact O-N 2.94Å; N627-N629 VanDerWaalsContact O-N 3.09Å; N629-T631 PolarHBondContact O-N 3.26Å; N629-K632 PolarHBondContact O-N 3.39Å; N629-K632 VanDerWaalsContact O-N 3.13Å; N629-Q633 PolarHBondContact O-N 3.03Å
630	L	69.7	Low	74.8	Confident	3 Å²	3	52 Å²	52	2%	0.016	25%	0.249	C	C	.	.	H	α-helix	trans	-55.6	-37	178.4	-85.5	172	0	0	0	112.4	I227 S230 I231 L551 N627 K628 K632 Q633 F634	I227-L630 HydrophobicContact CG1-CD2 4.32Å; I227-L630 HydrophobicContact CG2-CD2 4.49Å; S230-L630 VanDerWaalsContact CB-CD2 3.43Å; I231-L630 HydrophobicContact CG1-CD1 4.45Å; I231-L630 HydrophobicContact CG1-CD2 4.35Å; L551-L630 HydrophobicContact CD1-CB 3.92Å; L551-L630 HydrophobicContact CD1-CD1 3.6Å; L551-L630 HydrophobicContact CD1-CG 4.4Å; N627-L630 HydrophobicContact CB-CD1 3.97Å; N627-L630 HydrophobicContact CB-CG 4.38Å; N627-L630 VanDerWaalsContact O-CB 3.26Å; N627-L630 WeakPolarHBondContact O-CB 3.4Å; N627-L630 WeakPolarHBondContact O-CG 3.23Å; N627-L630 PolarHBondContact O-N 3.45Å; K628-L630 VanDerWaalsContact C-N 3.28Å; K628-L630 PolarHBondContact O-N 2.82Å; L630-K632 VanDerWaalsContact C-N 3.33Å; L630-K632 PolarHBondContact O-N 3.07Å; L630-Q633 WeakPolarHBondContact O-CB 3.36Å; L630-Q633 PolarHBondContact O-N 3.06Å; L630-Q633 VanDerWaalsContact O-N 3.1Å; L630-F634 WeakPolarHBondContact O-CD2 3.25Å; L630-F634 PolarHBondContact O-N 3.46Å
631	T	71.7	Confident	74.5	Confident	21 Å²	21	51.1 Å²	51.1	13%	0.129	25%	0.245	C	C	.	.	H	α-helix	trans	-58.3	-44	177.9	-54.6	0	0	0	0	112.3	S548 D552 N629 Q633 F634 D635	S548-T631 WeakPolarHBondContact CA-OG1 3.25Å; S548-T631 VanDerWaalsContact CB-CG2 3.43Å; S548-T631 WeakPolarHBondContact CB-OG1 3.23Å; D552-T631 PolarHBondContact OD1-OG1 3.05Å; D552-T631 WeakPolarHBondContact OD2-CB 3.37Å; D552-T631 WeakPolarHBondContact OD2-CG2 3.46Å; D552-T631 PolarHBondContact OD2-OG1 3.41Å; N629-T631 PolarHBondContact O-N 3.26Å; T631-Q633 VanDerWaalsContact C-N 3.27Å; T631-Q633 PolarHBondContact O-N 3.19Å; T631-F634 PolarHBondContact O-N 3.1Å; T631-D635 PolarHBondContact O-N 3.27Å
632	K	74	Confident	74.4	Confident	134 Å²	134	53.8 Å²	53.8	58%	0.583	26%	0.259	S	S	*	.	H	α-helix	trans	-63.5	-36.8	177.5	-68	179.6	-179.2	167.7	0	111.6	N629 L630 Q636	N629-K632 PolarHBondContact O-N 3.39Å; N629-K632 VanDerWaalsContact O-N 3.13Å; L630-K632 VanDerWaalsContact C-N 3.33Å; L630-K632 PolarHBondContact O-N 3.07Å; K632-Q636 VanDerWaalsContact O-CG 3.3Å; K632-Q636 WeakPolarHBondContact O-CG 3.35Å; K632-Q636 PolarHBondContact O-N 3.5Å
633	Q	72.1	Confident	74.2	Confident	42 Å²	42	52.1 Å²	52.1	20%	0.196	25%	0.253	C	S	.	.	H	α-helix	trans	-69.5	-40.7	177.2	-60.4	-177.5	-9.4	0	0	111	S226 I227 N629 L630 T631 Q636 I637	S226-Q633 PolarHBondContact OG-NE2 2.88Å; S226-Q633 VanDerWaalsContact OG-NE2 3.14Å; I227-Q633 HydrophobicContact CD1-CB 3.53Å; I227-Q633 HydrophobicContact CG1-CB 3.47Å; I227-Q633 VanDerWaalsContact CG1-CB 3.47Å; I227-Q633 HydrophobicContact CG1-CG 4.44Å; I227-Q633 VanDerWaalsContact CG1-OE1 3.24Å; N629-Q633 PolarHBondContact O-N 3.03Å; L630-Q633 WeakPolarHBondContact O-CB 3.36Å; L630-Q633 PolarHBondContact O-N 3.06Å; L630-Q633 VanDerWaalsContact O-N 3.1Å; T631-Q633 VanDerWaalsContact C-N 3.27Å; T631-Q633 PolarHBondContact O-N 3.19Å; Q633-Q636 WeakPolarHBondContact O-CB 3.36Å; Q633-Q636 PolarHBondContact O-N 3.29Å; Q633-I637 PolarHBondContact O-N 3.16Å; Q633-I637 VanDerWaalsContact O-N 3.08Å
634	F	72.9	Confident	74.1	Confident	7 Å²	7	47.6 Å²	47.6	3%	0.031	23%	0.234	C	C	.	.	H	α-helix	trans	-61.9	-43.2	173.6	-87.8	-69.2	0	0	0	112	I227 I231 L540 A544 L547 L630 T631 Q636 I637 I638	I227-F634 HydrophobicContact CD1-CB 4.49Å; I227-F634 HydrophobicContact CD1-CD1 4.09Å; I227-F634 HydrophobicContact CD1-CD2 4.29Å; I227-F634 HydrophobicContact CD1-CE1 4.43Å; I227-F634 HydrophobicContact CD1-CG 4.03Å; I227-F634 HydrophobicContact CG2-CE1 4.22Å; I227-F634 HydrophobicContact CG2-CE2 4.13Å; I227-F634 HydrophobicContact CG2-CZ 3.85Å; I231-F634 HydrophobicContact CD1-CE2 4.02Å; I231-F634 HydrophobicContact CD1-CZ 3.61Å; L540-F634 HydrophobicContact CD1-CE1 4.49Å; A544-F634 HydrophobicContact CB-CB 3.82Å; A544-F634 HydrophobicContact CB-CD1 3.66Å; A544-F634 HydrophobicContact CB-CD2 4.44Å; A544-F634 HydrophobicContact CB-CE1 4.29Å; A544-F634 HydrophobicContact CB-CG 3.73Å; L547-F634 HydrophobicContact CD2-CD2 4.5Å; L547-F634 HydrophobicContact CD2-CE2 3.57Å; L547-F634 HydrophobicContact CD2-CZ 4.13Å; L630-F634 WeakPolarHBondContact O-CD2 3.25Å; L630-F634 PolarHBondContact O-N 3.46Å; T631-F634 PolarHBondContact O-N 3.1Å; F634-Q636 VanDerWaalsContact C-N 3.28Å; F634-Q636 PolarHBondContact O-N 2.85Å; F634-I637 PolarHBondContact O-N 2.9Å; F634-I637 VanDerWaalsContact O-N 3.16Å; F634-I638 VanDerWaalsContact O-CG1 3.29Å; F634-I638 WeakPolarHBondContact O-CG1 3.22Å; F634-I638 PolarHBondContact O-N 2.9Å
635	D	76.5	Confident	74.1	Confident	75 Å²	75	52 Å²	52	40%	0.401	25%	0.253	S	S	.	.	H	α-helix	trans	-61.8	-37	176.1	-73.8	-25.8	0	0	0	111.6	T631 I638 N639	T631-D635 PolarHBondContact O-N 3.27Å; D635-I638 PolarHBondContact O-N 3.18Å; D635-N639 WeakPolarHBondContact O-CB 3.38Å; D635-N639 PolarHBondContact O-N 2.91Å; D635-N639 PolarHBondContact O-ND2 2.97Å
636	Q	75.7	Confident	74.1	Confident	108 Å²	108	54.5 Å²	54.5	51%	0.505	27%	0.268	S	S	.	.	H	α-helix	trans	-62.3	-44.1	173.4	-74.2	170.6	-10.3	0	0	112	S223 K632 Q633 F634 G640	S223-Q636 PolarHBondContact OG-OE1 3.34Å; K632-Q636 VanDerWaalsContact O-CG 3.3Å; K632-Q636 WeakPolarHBondContact O-CG 3.35Å; K632-Q636 PolarHBondContact O-N 3.5Å; Q633-Q636 WeakPolarHBondContact O-CB 3.36Å; Q633-Q636 PolarHBondContact O-N 3.29Å; F634-Q636 VanDerWaalsContact C-N 3.28Å; F634-Q636 PolarHBondContact O-N 2.85Å; Q636-G640 PolarHBondContact O-N 3.31Å
637	I	72.2	Confident	74	Confident	6 Å²	6	48.5 Å²	48.5	3%	0.031	24%	0.243	C	C	.	.	H	α-helix	trans	-64.1	-48.3	176.2	-65.7	-175.8	0	0	0	110.7	V220 A224 I227 L540 Q633 F634 N639 G640 L641	V220-I637 HydrophobicContact CG1-CG2 4.21Å; A224-I637 HydrophobicContact CB-CD1 3.97Å; I227-I637 HydrophobicContact CD1-CD1 3.29Å; I227-I637 HydrophobicContact CD1-CG1 4.01Å; I227-I637 HydrophobicContact CG1-CD1 4.32Å; L540-I637 HydrophobicContact CD2-CG2 4.44Å; Q633-I637 PolarHBondContact O-N 3.16Å; Q633-I637 VanDerWaalsContact O-N 3.08Å; F634-I637 PolarHBondContact O-N 2.9Å; F634-I637 VanDerWaalsContact O-N 3.16Å; I637-N639 PolarHBondContact O-N 3.19Å; I637-G640 PolarHBondContact O-N 2.89Å; I637-L641 HydrophobicContact CG2-CD1 3.67Å; I637-L641 HydrophobicContact CG2-CG 4.21Å; I637-L641 WeakPolarHBondContact O-CB 3.24Å; I637-L641 WeakPolarHBondContact O-CG 3.43Å; I637-L641 PolarHBondContact O-N 3.3Å
638	I	76.5	Confident	74	Confident	11 Å²	11	48.5 Å²	48.5	6%	0.056	24%	0.244	C	C	.	.	H	α-helix	trans	-62.1	-46.2	-178.4	-68	161.9	0	0	0	110.4	T541 A544 F634 D635 L641 N642	T541-I638 HydrophobicContact CG2-CD1 4.27Å; A544-I638 HydrophobicContact CB-CD1 3.81Å; F634-I638 VanDerWaalsContact O-CG1 3.29Å; F634-I638 WeakPolarHBondContact O-CG1 3.22Å; F634-I638 PolarHBondContact O-N 2.9Å; D635-I638 PolarHBondContact O-N 3.18Å; I638-L641 PolarHBondContact O-N 3.46Å; I638-N642 WeakPolarHBondContact O-CB 3.04Å; I638-N642 VanDerWaalsContact O-CG 3.25Å; I638-N642 PolarHBondContact O-N 3.2Å; I638-N642 PolarHBondContact O-ND2 3Å; I638-N642 VanDerWaalsContact O-ND2 3.16Å
639	N	80.3	Confident	74.1	Confident	92 Å²	92	49 Å²	49	49%	0.492	25%	0.254	S	S	.	.	H	α-helix	trans	-66.3	-41.3	178.6	-69.6	-27.7	0	0	0	111.5	D635 I637 N642 N643	D635-N639 WeakPolarHBondContact O-CB 3.38Å; D635-N639 PolarHBondContact O-N 2.91Å; D635-N639 PolarHBondContact O-ND2 2.97Å; I637-N639 PolarHBondContact O-N 3.19Å; N639-N642 PolarHBondContact O-N 3.34Å; N639-N643 WeakPolarHBondContact O-CB 3.4Å; N639-N643 PolarHBondContact O-N 3.45Å; N639-N643 PolarHBondContact O-OD1 2.9Å
640	G	75.5	Confident	74.3	Confident	8 Å²	8	47.5 Å²	47.5	8%	0.082	25%	0.246	C	C	.	.	H	α-helix	trans	-66.1	-41.3	177	0	0	0	0	0	112.9	Q636 I637 N643 F644	Q636-G640 PolarHBondContact O-N 3.31Å; I637-G640 PolarHBondContact O-N 2.89Å; G640-N643 PolarHBondContact O-N 3.25Å; G640-F644 WeakPolarHBondContact O-CB 3.39Å; G640-F644 PolarHBondContact O-N 3.12Å
641	L	73.4	Confident	74.5	Confident	6 Å²	6	55 Å²	55	3%	0.031	27%	0.274	C	S	.	.	H	α-helix	trans	-66.2	-38.2	173.9	-72.6	174.5	0	0	0	112.1	V220 F332 L537 L540 I637 I638 F644 K645	V220-L641 HydrophobicContact CG1-CD2 4.39Å; V220-L641 HydrophobicContact CG1-CG 4.29Å; F332-L641 HydrophobicContact CE1-CD2 4.21Å; F332-L641 HydrophobicContact CZ-CD2 4.11Å; L537-L641 HydrophobicContact CD1-CB 3.8Å; L537-L641 HydrophobicContact CD1-CD1 3.45Å; L537-L641 VanDerWaalsContact CD1-CD1 3.45Å; L537-L641 HydrophobicContact CD1-CG 4.25Å; L537-L641 HydrophobicContact CD2-CB 4.4Å; L540-L641 HydrophobicContact CD2-CD1 4.26Å; I637-L641 HydrophobicContact CG2-CD1 3.67Å; I637-L641 HydrophobicContact CG2-CG 4.21Å; I637-L641 WeakPolarHBondContact O-CB 3.24Å; I637-L641 WeakPolarHBondContact O-CG 3.43Å; I637-L641 PolarHBondContact O-N 3.3Å; I638-L641 PolarHBondContact O-N 3.46Å; L641-F644 PolarHBondContact O-N 2.95Å; L641-K645 WeakPolarHBondContact O-CB 3.49Å; L641-K645 PolarHBondContact O-N 3.47Å
642	N	77	Confident	74.8	Confident	58 Å²	58	60.2 Å²	60.2	31%	0.31	30%	0.297	S	S	.	.	H	α-helix	trans	-66.3	-41.4	173.8	-78	-32.1	0	0	0	112	L537 I638 N639 K645 N646	L537-N642 WeakPolarHBondContact CD2-OD1 3.22Å; I638-N642 WeakPolarHBondContact O-CB 3.04Å; I638-N642 VanDerWaalsContact O-CG 3.25Å; I638-N642 PolarHBondContact O-N 3.2Å; I638-N642 PolarHBondContact O-ND2 3Å; I638-N642 VanDerWaalsContact O-ND2 3.16Å; N639-N642 PolarHBondContact O-N 3.34Å; N642-K645 PolarHBondContact O-N 2.92Å; N642-N646 WeakPolarHBondContact O-CB 3.45Å; N642-N646 PolarHBondContact O-N 2.85Å; N642-N646 PolarHBondContact O-ND2 3.46Å
643	N	77.2	Confident	74.9	Confident	66 Å²	66	58.9 Å²	58.9	35%	0.353	29%	0.291	S	S	.	.	H	α-helix	trans	-63.6	-44.5	175	-72.3	-11.1	0	0	0	110.9	Q216 N639 G640 N646 L647	Q216-N643 PolarHBondContact OE1-ND2 3.44Å; N639-N643 WeakPolarHBondContact O-CB 3.4Å; N639-N643 PolarHBondContact O-N 3.45Å; N639-N643 PolarHBondContact O-OD1 2.9Å; G640-N643 PolarHBondContact O-N 3.25Å; N643-N646 PolarHBondContact O-N 3.12Å; N643-L647 WeakPolarHBondContact O-CB 3.15Å; N643-L647 WeakPolarHBondContact O-CG 2.87Å; N643-L647 PolarHBondContact O-N 3.32Å
644	F	73.8	Confident	74.9	Confident	4 Å²	4	57 Å²	57	2%	0.018	28%	0.283	C	S	.	.	H	α-helix	trans	-59.5	-46.4	174.5	-178.6	-104.7	0	0	0	111.4	Y215 L217 L529 I533 G640 L641 N646 L647 S648	Y215-F644 HydrophobicContact CD1-CD2 4.07Å; Y215-F644 AromaticContact CD1-CE2 3.72Å; Y215-F644 HydrophobicContact CD1-CE2 3.72Å; Y215-F644 HydrophobicContact CE1-CE2 4.41Å; Y215-F644 HydrophobicContact CG-CD2 4.35Å; Y215-F644 AromaticContact CG-CE2 4Å; Y215-F644 HydrophobicContact CG-CE2 4Å; L217-F644 HydrophobicContact CD1-CD2 4.06Å; L217-F644 HydrophobicContact CD1-CE2 3.71Å; L217-F644 HydrophobicContact CD1-CZ 4.31Å; L217-F644 HydrophobicContact CD2-CD2 3.94Å; L217-F644 HydrophobicContact CD2-CE2 4.27Å; L217-F644 HydrophobicContact CD2-CG 4.08Å; L217-F644 HydrophobicContact CG-CD2 3.92Å; L217-F644 HydrophobicContact CG-CE2 4.11Å; L529-F644 HydrophobicContact CB-CZ 4.35Å; L529-F644 HydrophobicContact CD1-CZ 4.45Å; L529-F644 HydrophobicContact CD2-CZ 4.43Å; I533-F644 HydrophobicContact CD1-CD1 3.92Å; I533-F644 HydrophobicContact CD1-CE1 4.15Å; I533-F644 HydrophobicContact CG1-CD1 3.89Å; I533-F644 HydrophobicContact CG1-CE1 3.93Å; G640-F644 WeakPolarHBondContact O-CB 3.39Å; G640-F644 PolarHBondContact O-N 3.12Å; L641-F644 PolarHBondContact O-N 2.95Å; F644-N646 VanDerWaalsContact C-N 3.34Å; F644-N646 PolarHBondContact O-N 3.27Å; F644-L647 PolarHBondContact O-N 3.2Å; F644-S648 WeakPolarHBondContact O-CB 3.2Å; F644-S648 PolarHBondContact O-N 3.39Å; F644-S648 PolarHBondContact O-OG 3.03Å; F644-S648 VanDerWaalsContact O-OG 3.09Å
645	K	75.7	Confident	75	Confident	94 Å²	94	60.3 Å²	60.3	41%	0.409	30%	0.297	S	S	.	.	H	α-helix	trans	-57.7	-44.8	174.9	-171.9	174.5	179	175.5	0	112.2	I533 L641 N642 L647 S648 S649	I533-K645 HydrophobicContact CD1-CB 3.74Å; I533-K645 HydrophobicContact CD1-CG 3.88Å; L641-K645 WeakPolarHBondContact O-CB 3.49Å; L641-K645 PolarHBondContact O-N 3.47Å; N642-K645 PolarHBondContact O-N 2.92Å; K645-L647 VanDerWaalsContact C-N 3.34Å; K645-L647 PolarHBondContact O-N 3.34Å; K645-S648 WeakPolarHBondContact CA-OG 3.36Å; K645-S648 PolarHBondContact O-N 2.99Å; K645-S648 PolarHBondContact O-OG 2.87Å; K645-S648 VanDerWaalsContact O-OG 3.14Å; K645-S649 VanDerWaalsContact O-CB 3.29Å; K645-S649 WeakPolarHBondContact O-CB 3.29Å; K645-S649 PolarHBondContact O-N 2.99Å; K645-S649 PolarHBondContact O-OG 3.29Å
646	N	76.2	Confident	75	Confident	102 Å²	102	62.3 Å²	62.3	55%	0.545	30%	0.304	S	S	.	.	H	α-helix	trans	-66.6	-36	179.4	-71	-22.9	0	0	0	112.3	N642 N643 F644	N642-N646 WeakPolarHBondContact O-CB 3.45Å; N642-N646 PolarHBondContact O-N 2.85Å; N642-N646 PolarHBondContact O-ND2 3.46Å; N643-N646 PolarHBondContact O-N 3.12Å; F644-N646 VanDerWaalsContact C-N 3.34Å; F644-N646 PolarHBondContact O-N 3.27Å
647	L	72.5	Confident	74.9	Confident	35 Å²	35	59.6 Å²	59.6	18%	0.183	30%	0.295	C	S	.	.	H	α-helix	trans	-73.1	-41.7	175.5	-74.3	167.4	0	0	0	112	N643 F644 K645 D650	N643-L647 WeakPolarHBondContact O-CB 3.15Å; N643-L647 WeakPolarHBondContact O-CG 2.87Å; N643-L647 PolarHBondContact O-N 3.32Å; F644-L647 PolarHBondContact O-N 3.2Å; K645-L647 VanDerWaalsContact C-N 3.34Å; K645-L647 PolarHBondContact O-N 3.34Å; L647-D650 PolarHBondContact O-N 2.99Å
648	S	70.6	Confident	75	Confident	12 Å²	12	59.4 Å²	59.4	8%	0.084	29%	0.294	C	S	.	.	H	α-helix	trans	-73.3	-32	-177.8	65.8	0	0	0	0	113	F644 K645 D650	F644-S648 WeakPolarHBondContact O-CB 3.2Å; F644-S648 PolarHBondContact O-N 3.39Å; F644-S648 PolarHBondContact O-OG 3.03Å; F644-S648 VanDerWaalsContact O-OG 3.09Å; K645-S648 WeakPolarHBondContact CA-OG 3.36Å; K645-S648 PolarHBondContact O-N 2.99Å; K645-S648 PolarHBondContact O-OG 2.87Å; K645-S648 VanDerWaalsContact O-OG 3.14Å; S648-D650 VanDerWaalsContact C-N 3.3Å; S648-D650 PolarHBondContact O-N 3.04Å
649	S	71.5	Confident	75.2	Confident	62 Å²	62	65.2 Å²	65.2	43%	0.434	32%	0.315	S	S	.	.	H	α-helix	trans	-69.2	-28.6	177	-56.4	0	0	0	0	112.4	K645	K645-S649 VanDerWaalsContact O-CB 3.29Å; K645-S649 WeakPolarHBondContact O-CB 3.29Å; K645-S649 PolarHBondContact O-N 2.99Å; K645-S649 PolarHBondContact O-OG 3.29Å
650	D	76	Confident	75.1	Confident	52 Å²	52	64.3 Å²	64.3	28%	0.278	31%	0.314	S	S	.	.			trans	-100.3	90.4	-178.9	-170.8	-23.3	0	0	0	110.4	L647 S648 Q652 K653 L654	L647-D650 PolarHBondContact O-N 2.99Å; S648-D650 VanDerWaalsContact C-N 3.3Å; S648-D650 PolarHBondContact O-N 3.04Å; D650-Q652 PolarHBondContact O-N 3.29Å; D650-Q652 WeakPolarHBondContact OD1-CB 3.14Å; D650-Q652 PolarHBondContact OD1-N 2.86Å; D650-Q652 VanDerWaalsContact OD1-N 3.11Å; D650-K653 HydrophobicContact CB-CB 3.99Å; D650-K653 HydrophobicContact CB-CD 3.94Å; D650-K653 HydrophobicContact CB-CG 4.13Å; D650-K653 PolarHBondContact O-N 3.42Å; D650-K653 VanDerWaalsContact O-N 3.09Å; D650-K653 PolarHBondContact OD1-N 3.03Å; D650-K653 VanDerWaalsContact OD1-N 3.1Å; D650-K653 WeakPolarHBondContact OD2-CD 3.39Å; D650-K653 WeakPolarHBondContact OD2-CE 3.43Å; D650-K653 VanDerWaalsContact OD2-CG 3.28Å; D650-K653 WeakPolarHBondContact OD2-CG 3.49Å; D650-K653 IonicContact OD2-NZ 3.93Å; D650-K653 PolarHBondContact OD2-NZ 3.3Å; D650-L654 WeakPolarHBondContact O-CB 3.42Å; D650-L654 PolarHBondContact O-N 2.93Å
651	R	73.4	Confident	75	Confident	161 Å²	161	64.9 Å²	64.9	61%	0.608	32%	0.315	S	S	*	.	H	α-helix	trans	-53.3	-29.9	179.5	-65.3	-173.7	-178.2	-171.5	-0.2	113.1	I525 K655	I525-R651 HydrophobicContact CG2-CB 3.89Å; I525-R651 HydrophobicContact CG2-CG 3.87Å; R651-K655 WeakPolarHBondContact O-CB 3.31Å; R651-K655 PolarHBondContact O-N 2.89Å; R651-K655 VanDerWaalsContact O-N 3.09Å
652	Q	78.7	Confident	75	Confident	130 Å²	130	64.6 Å²	64.6	61%	0.607	31%	0.313	S	S	*	.	H	α-helix	trans	-75.5	-46.2	179.2	-174.3	176.1	-21.9	0	0	111	D650 L654 K655 E656	D650-Q652 PolarHBondContact O-N 3.29Å; D650-Q652 WeakPolarHBondContact OD1-CB 3.14Å; D650-Q652 PolarHBondContact OD1-N 2.86Å; D650-Q652 VanDerWaalsContact OD1-N 3.11Å; Q652-L654 VanDerWaalsContact C-N 3.27Å; Q652-L654 PolarHBondContact O-N 3.11Å; Q652-K655 WeakPolarHBondContact O-CB 3.41Å; Q652-K655 PolarHBondContact O-N 3.04Å; Q652-K655 VanDerWaalsContact O-N 3.16Å; Q652-E656 WeakPolarHBondContact CG-OE1 3.46Å; Q652-E656 PolarHBondContact NE2-OE1 3.45Å; Q652-E656 WeakPolarHBondContact O-CG 3.4Å; Q652-E656 PolarHBondContact O-N 3.42Å
653	K	74.7	Confident	75.1	Confident	105 Å²	105	65.3 Å²	65.3	46%	0.457	32%	0.317	S	S	.	.	H	α-helix	trans	-60.2	-39.9	173.5	-75.3	177.8	-170.1	151.6	0	112.2	D650 K655 E656 T657	D650-K653 HydrophobicContact CB-CB 3.99Å; D650-K653 HydrophobicContact CB-CD 3.94Å; D650-K653 HydrophobicContact CB-CG 4.13Å; D650-K653 PolarHBondContact O-N 3.42Å; D650-K653 VanDerWaalsContact O-N 3.09Å; D650-K653 PolarHBondContact OD1-N 3.03Å; D650-K653 VanDerWaalsContact OD1-N 3.1Å; D650-K653 WeakPolarHBondContact OD2-CD 3.39Å; D650-K653 WeakPolarHBondContact OD2-CE 3.43Å; D650-K653 VanDerWaalsContact OD2-CG 3.28Å; D650-K653 WeakPolarHBondContact OD2-CG 3.49Å; D650-K653 IonicContact OD2-NZ 3.93Å; D650-K653 PolarHBondContact OD2-NZ 3.3Å; K653-K655 VanDerWaalsContact C-N 3.34Å; K653-K655 PolarHBondContact O-N 3.37Å; K653-E656 PolarHBondContact O-N 2.93Å; K653-T657 WeakPolarHBondContact O-CB 3.14Å; K653-T657 PolarHBondContact O-N 3.49Å; K653-T657 PolarHBondContact O-OG1 3.43Å
654	L	72.1	Confident	75	Confident	4 Å²	4	65.6 Å²	65.6	2%	0.021	33%	0.325	C	S	.	.	H	α-helix	trans	-55.6	-51.3	173.8	-175.5	61.5	0	0	0	110.7	Y215 I525 L529 D650 Q652 E656 T657 I658	Y215-L654 HydrophobicContact CD1-CD1 4.44Å; Y215-L654 HydrophobicContact CE1-CD1 3.26Å; Y215-L654 VanDerWaalsContact OH-CD1 3.23Å; Y215-L654 WeakPolarHBondContact OH-CD1 3.3Å; I525-L654 HydrophobicContact CB-CD2 4.33Å; I525-L654 HydrophobicContact CG1-CD2 3.97Å; I525-L654 HydrophobicContact CG1-CG 4.22Å; L529-L654 HydrophobicContact CD1-CD2 4.2Å; D650-L654 WeakPolarHBondContact O-CB 3.42Å; D650-L654 PolarHBondContact O-N 2.93Å; Q652-L654 VanDerWaalsContact C-N 3.27Å; Q652-L654 PolarHBondContact O-N 3.11Å; L654-E656 PolarHBondContact O-N 3.48Å; L654-T657 PolarHBondContact O-N 2.94Å; L654-I658 HydrophobicContact CD1-CD1 3.88Å; L654-I658 HydrophobicContact CD1-CG1 4.5Å; L654-I658 HydrophobicContact CG-CD1 3.79Å; L654-I658 WeakPolarHBondContact O-CD1 3.5Å; L654-I658 WeakPolarHBondContact O-CG1 3.49Å; L654-I658 PolarHBondContact O-N 3.41Å
655	K	76.7	Confident	74.8	Confident	75 Å²	75	65.7 Å²	65.7	33%	0.326	33%	0.325	S	S	.	.	H	α-helix	trans	-59.9	-45.7	177.3	-171.4	164.4	-175.7	162.9	0	113	I521 I525 R651 Q652 K653 T657 I658 R659	I521-K655 HydrophobicContact CG2-CD 4.35Å; I521-K655 HydrophobicContact CG2-CG 3.94Å; I525-K655 HydrophobicContact CD1-CB 3.69Å; I525-K655 HydrophobicContact CD1-CD 3.97Å; I525-K655 HydrophobicContact CD1-CG 3.97Å; R651-K655 WeakPolarHBondContact O-CB 3.31Å; R651-K655 PolarHBondContact O-N 2.89Å; R651-K655 VanDerWaalsContact O-N 3.09Å; Q652-K655 WeakPolarHBondContact O-CB 3.41Å; Q652-K655 PolarHBondContact O-N 3.04Å; Q652-K655 VanDerWaalsContact O-N 3.16Å; K653-K655 VanDerWaalsContact C-N 3.34Å; K653-K655 PolarHBondContact O-N 3.37Å; K655-T657 VanDerWaalsContact C-N 3.27Å; K655-T657 PolarHBondContact O-N 3.44Å; K655-I658 PolarHBondContact O-N 2.99Å; K655-R659 WeakPolarHBondContact O-CB 3.18Å; K655-R659 PolarHBondContact O-N 2.83Å
656	E	75.7	Confident	74.8	Confident	118 Å²	118	61.7 Å²	61.7	55%	0.551	31%	0.308	S	S	*	.	H	α-helix	trans	-65.9	-29.8	-179.1	-74.2	175.7	-171.6	0	0	112.4	Q652 K653 L654 P660	Q652-E656 WeakPolarHBondContact CG-OE1 3.46Å; Q652-E656 PolarHBondContact NE2-OE1 3.45Å; Q652-E656 WeakPolarHBondContact O-CG 3.4Å; Q652-E656 PolarHBondContact O-N 3.42Å; K653-E656 PolarHBondContact O-N 2.93Å; L654-E656 PolarHBondContact O-N 3.48Å; E656-P660 WeakPolarHBondContact O-CD 3.37Å
657	T	72.9	Confident	75	Confident	51 Å²	51	60.7 Å²	60.7	31%	0.313	30%	0.3	S	S	.	.	H	α-helix	trans	-79	-38.3	177	-50.6	0	0	0	0	112	A214 K653 L654 K655 P660	A214-T657 HydrophobicContact CB-CG2 3.66Å; K653-T657 WeakPolarHBondContact O-CB 3.14Å; K653-T657 PolarHBondContact O-N 3.49Å; K653-T657 PolarHBondContact O-OG1 3.43Å; L654-T657 PolarHBondContact O-N 2.94Å; K655-T657 VanDerWaalsContact C-N 3.27Å; K655-T657 PolarHBondContact O-N 3.44Å; T657-P660 WeakPolarHBondContact O-CD 3.28Å; T657-P660 WeakPolarHBondContact O-CG 3.44Å
658	I	74.5	Confident	75.1	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-74.1	-41.6	-178	-64.6	164.4	0	0	0	112.1	L211 I521 I524 L654 K655 I661 F662	L211-I658 HydrophobicContact CD2-CB 4.29Å; L211-I658 HydrophobicContact CD2-CG1 3.68Å; L211-I658 HydrophobicContact CD2-CG2 4.1Å; I521-I658 HydrophobicContact CD1-CG2 4.48Å; I521-I658 HydrophobicContact CG1-CG2 3.86Å; I524-I658 HydrophobicContact CB-CD1 4.18Å; I524-I658 HydrophobicContact CD1-CG2 4.37Å; I524-I658 HydrophobicContact CG2-CD1 3.53Å; L654-I658 HydrophobicContact CD1-CD1 3.88Å; L654-I658 HydrophobicContact CD1-CG1 4.5Å; L654-I658 HydrophobicContact CG-CD1 3.79Å; L654-I658 WeakPolarHBondContact O-CD1 3.5Å; L654-I658 WeakPolarHBondContact O-CG1 3.49Å; L654-I658 PolarHBondContact O-N 3.41Å; K655-I658 PolarHBondContact O-N 2.99Å; I658-I661 WeakPolarHBondContact O-CB 3.23Å; I658-I661 PolarHBondContact O-N 2.89Å; I658-I661 VanDerWaalsContact O-N 3.14Å; I658-F662 HydrophobicContact CG2-CD2 3.4Å; I658-F662 HydrophobicContact CG2-CE2 3.31Å; I658-F662 HydrophobicContact CG2-CZ 4.46Å; I658-F662 PolarHBondContact O-N 2.93Å
659	R	80.1	Confident	75.3	Confident	133 Å²	133	60.7 Å²	60.7	50%	0.502	30%	0.303	S	S	.	.	H	α-helix	trans	-54.8	-46.1	-174.3	-167.9	174.9	-171.8	-178.7	1.8	115.1	I521 K655 I661 F662 N663	I521-R659 HydrophobicContact CD1-CB 4.33Å; I521-R659 HydrophobicContact CD1-CG 4.47Å; K655-R659 WeakPolarHBondContact O-CB 3.18Å; K655-R659 PolarHBondContact O-N 2.83Å; R659-I661 VanDerWaalsContact C-N 3.28Å; R659-I661 PolarHBondContact O-N 3.3Å; R659-F662 PolarHBondContact O-N 3.07Å; R659-N663 VanDerWaalsContact O-CG 3.3Å; R659-N663 PolarHBondContact O-N 3.49Å
660	P	78.5	Confident	75.7	Confident	73 Å²	73	57.9 Å²	57.9	47%	0.474	28%	0.283	S	S	.	.	H	α-helix	trans	-63.2	-34.5	178.5	23.6	-33.8	0	0	0	112.6	E656 T657 N663 S664	E656-P660 WeakPolarHBondContact O-CD 3.37Å; T657-P660 WeakPolarHBondContact O-CD 3.28Å; T657-P660 WeakPolarHBondContact O-CG 3.44Å; P660-N663 PolarHBondContact O-N 3.02Å; P660-S664 PolarHBondContact O-N 3.22Å; P660-S664 PolarHBondContact O-OG 3.31Å
661	I	72.9	Confident	75.8	Confident	20 Å²	20	59.3 Å²	59.3	10%	0.103	29%	0.291	C	S	.	.	H	α-helix	trans	-61.5	-53.8	176.7	-62.2	167.8	0	0	0	109.6	I207 S210 L211 A214 I658 R659 N663 S664 T665	I207-I661 HydrophobicContact CG1-CG2 4.39Å; I207-I661 HydrophobicContact CG2-CG2 4.38Å; S210-I661 VanDerWaalsContact CB-CG2 3.46Å; L211-I661 HydrophobicContact CD2-CD1 4.07Å; L211-I661 HydrophobicContact CG-CD1 4.44Å; A214-I661 HydrophobicContact CB-CD1 3.86Å; I658-I661 WeakPolarHBondContact O-CB 3.23Å; I658-I661 PolarHBondContact O-N 2.89Å; I658-I661 VanDerWaalsContact O-N 3.14Å; R659-I661 VanDerWaalsContact C-N 3.28Å; R659-I661 PolarHBondContact O-N 3.3Å; I661-N663 VanDerWaalsContact C-N 3.28Å; I661-N663 PolarHBondContact O-N 2.91Å; I661-S664 PolarHBondContact O-N 2.97Å; I661-S664 PolarHBondContact O-OG 2.86Å; I661-T665 PolarHBondContact O-N 3.5Å; I661-T665 PolarHBondContact O-OG1 2.99Å
662	F	73.7	Confident	75.8	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-57.7	-42.8	177.7	-85.2	-105.3	0	0	0	111.8	I207 M350 V517 I524 I658 R659 T665 I666	I207-F662 HydrophobicContact CD1-CD1 4.49Å; I207-F662 HydrophobicContact CG2-CD2 4.47Å; I207-F662 HydrophobicContact CG2-CE2 3.97Å; I207-F662 HydrophobicContact CG2-CZ 4.21Å; M350-F662 HydrophobicContact CE-CD1 3.69Å; M350-F662 HydrophobicContact CE-CE1 3.18Å; M350-F662 HydrophobicContact CE-CZ 4.08Å; V517-F662 HydrophobicContact CG1-CB 4.13Å; V517-F662 HydrophobicContact CG1-CD1 4.28Å; V517-F662 HydrophobicContact CG1-CG 4.4Å; V517-F662 HydrophobicContact CG2-CD1 4.21Å; I524-F662 HydrophobicContact CD1-CE2 4.01Å; I524-F662 HydrophobicContact CD1-CZ 3.95Å; I658-F662 HydrophobicContact CG2-CD2 3.4Å; I658-F662 HydrophobicContact CG2-CE2 3.31Å; I658-F662 HydrophobicContact CG2-CZ 4.46Å; I658-F662 PolarHBondContact O-N 2.93Å; R659-F662 PolarHBondContact O-N 3.07Å; F662-T665 PolarHBondContact O-N 3.03Å; F662-I666 VanDerWaalsContact O-CB 3.3Å; F662-I666 WeakPolarHBondContact O-CB 3.24Å; F662-I666 WeakPolarHBondContact O-CD1 3.25Å; F662-I666 WeakPolarHBondContact O-CG1 3.22Å; F662-I666 PolarHBondContact O-N 3.32Å
663	N	80.1	Confident	75.4	Confident	74 Å²	74	49.1 Å²	49.1	40%	0.396	25%	0.251	S	S	.	.	H	α-helix	trans	-61	-46.7	178	-73.8	-10.3	0	0	0	112	R659 P660 I661 Q667	R659-N663 VanDerWaalsContact O-CG 3.3Å; R659-N663 PolarHBondContact O-N 3.49Å; P660-N663 PolarHBondContact O-N 3.02Å; I661-N663 VanDerWaalsContact C-N 3.28Å; I661-N663 PolarHBondContact O-N 2.91Å; N663-Q667 WeakPolarHBondContact O-CB 3.41Å; N663-Q667 WeakPolarHBondContact O-CG 3.45Å; N663-Q667 PolarHBondContact O-N 3.13Å; N663-Q667 VanDerWaalsContact O-N 3.08Å
664	S	74.1	Confident	75.5	Confident	72 Å²	72	44.4 Å²	44.4	50%	0.503	23%	0.231	S	C	.	.	H	α-helix	trans	-63.2	-43.6	179.6	51.1	0	0	0	0	112.1	P660 I661 Q667 S668	P660-S664 PolarHBondContact O-N 3.22Å; P660-S664 PolarHBondContact O-OG 3.31Å; I661-S664 PolarHBondContact O-N 2.97Å; I661-S664 PolarHBondContact O-OG 2.86Å; S664-Q667 PolarHBondContact O-N 3.3Å; S664-S668 PolarHBondContact O-N 3.41Å; S664-S668 VanDerWaalsContact O-N 3.09Å
665	T	70.4	Confident	75.7	Confident	5 Å²	5	50.4 Å²	50.4	3%	0.031	26%	0.262	C	S	.	.	H	α-helix	trans	-72.8	-37.1	-175.8	-28.9	0	0	0	0	111.7	T203 E206 I207 I661 F662 S668 L669	T203-T665 HydrophobicContact CG2-CG2 3.27Å; T203-T665 WeakPolarHBondContact O-CG2 3.22Å; E206-T665 HydrophobicContact CB-CG2 4.12Å; I207-T665 HydrophobicContact CD1-CG2 4.39Å; I207-T665 HydrophobicContact CG1-CG2 3.96Å; I207-T665 WeakPolarHBondContact CG1-OG1 3.5Å; I661-T665 PolarHBondContact O-N 3.5Å; I661-T665 PolarHBondContact O-OG1 2.99Å; F662-T665 PolarHBondContact O-N 3.03Å; T665-S668 WeakPolarHBondContact O-CB 3.26Å; T665-S668 PolarHBondContact O-N 3.07Å; T665-L669 PolarHBondContact O-N 3.29Å
666	I	76.3	Confident	75.5	Confident	10 Å²	10	48.6 Å²	48.6	5%	0.051	26%	0.256	C	S	.	.	H	α-helix	trans	-65	-41.1	174.9	-72.2	166.7	0	0	0	111.4	I513 V517 F662 S668 L669 L670	I513-I666 HydrophobicContact CD1-CG2 4.5Å; I513-I666 HydrophobicContact CG2-CD1 3.93Å; I513-I666 HydrophobicContact CG2-CG2 3.69Å; V517-I666 HydrophobicContact CG2-CD1 3.09Å; F662-I666 VanDerWaalsContact O-CB 3.3Å; F662-I666 WeakPolarHBondContact O-CB 3.24Å; F662-I666 WeakPolarHBondContact O-CD1 3.25Å; F662-I666 WeakPolarHBondContact O-CG1 3.22Å; F662-I666 PolarHBondContact O-N 3.32Å; I666-S668 VanDerWaalsContact C-N 3.31Å; I666-S668 PolarHBondContact O-N 2.98Å; I666-L669 PolarHBondContact O-N 2.81Å; I666-L670 HydrophobicContact CG2-CD1 4.02Å; I666-L670 HydrophobicContact CG2-CG 4.23Å; I666-L670 WeakPolarHBondContact O-CB 3.38Å; I666-L670 VanDerWaalsContact O-CG 3.28Å; I666-L670 WeakPolarHBondContact O-CG 3.38Å; I666-L670 PolarHBondContact O-N 3.28Å
667	Q	79.4	Confident	75.3	Confident	82 Å²	82	43.3 Å²	43.3	38%	0.383	23%	0.232	S	C	.	.	H	α-helix	trans	-63	-39.5	176	-70.9	-66	-26.4	0	0	111.8	Y505 N663 S664 L670 N671	Y505-Q667 PolarHBondContact OH-OE1 2.96Å; N663-Q667 WeakPolarHBondContact O-CB 3.41Å; N663-Q667 WeakPolarHBondContact O-CG 3.45Å; N663-Q667 PolarHBondContact O-N 3.13Å; N663-Q667 VanDerWaalsContact O-N 3.08Å; S664-Q667 PolarHBondContact O-N 3.3Å; Q667-L670 PolarHBondContact O-N 3.39Å; Q667-N671 VanDerWaalsContact O-CG 3.3Å; Q667-N671 PolarHBondContact O-N 3.49Å; Q667-N671 VanDerWaalsContact O-N 3.12Å; Q667-N671 PolarHBondContact O-ND2 2.95Å
668	S	75.5	Confident	75.2	Confident	45 Å²	45	42.6 Å²	42.6	32%	0.315	23%	0.226	S	C	.	.	H	α-helix	trans	-59.7	-50	172.9	-170.1	0	0	0	0	111.4	S664 T665 I666 L670 N671 Q672	S664-S668 PolarHBondContact O-N 3.41Å; S664-S668 VanDerWaalsContact O-N 3.09Å; T665-S668 WeakPolarHBondContact O-CB 3.26Å; T665-S668 PolarHBondContact O-N 3.07Å; I666-S668 VanDerWaalsContact C-N 3.31Å; I666-S668 PolarHBondContact O-N 2.98Å; S668-L670 PolarHBondContact O-N 3.12Å; S668-N671 PolarHBondContact O-N 3.1Å; S668-Q672 WeakPolarHBondContact O-CG 3.36Å; S668-Q672 PolarHBondContact O-N 3.23Å
669	L	74	Confident	75.1	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-58.4	-46.5	178	-179.9	69.5	0	0	0	112.1	Q199 L200 T203 F354 T665 I666 N671 Q672 T673	Q199-L669 HydrophobicContact CB-CD1 3.8Å; L200-L669 HydrophobicContact CD1-CD2 3.63Å; T203-L669 HydrophobicContact CG2-CB 4.49Å; F354-L669 HydrophobicContact CE1-CD2 4.01Å; F354-L669 HydrophobicContact CE2-CD2 4.19Å; F354-L669 HydrophobicContact CZ-CD2 3.82Å; T665-L669 PolarHBondContact O-N 3.29Å; I666-L669 PolarHBondContact O-N 2.81Å; L669-N671 VanDerWaalsContact C-N 3.35Å; L669-N671 PolarHBondContact O-N 2.69Å; L669-Q672 PolarHBondContact O-N 3.35Å; L669-T673 VanDerWaalsContact O-CB 3.31Å; L669-T673 WeakPolarHBondContact O-CB 3.5Å; L669-T673 PolarHBondContact O-N 2.64Å; L669-T673 PolarHBondContact O-OG1 3.27Å
670	L	79.2	Confident	74.5	Confident	2 Å²	2	44 Å²	44	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-61.8	-42.3	179.9	-71.3	176.8	0	0	0	111.9	L504 Y505 I513 I666 Q667 S668 T673 S674	L504-L670 HydrophobicContact CB-CD2 4.25Å; L504-L670 HydrophobicContact CD2-CD2 4.08Å; Y505-L670 HydrophobicContact CD1-CD1 4.45Å; Y505-L670 HydrophobicContact CE1-CD1 3.9Å; I513-L670 HydrophobicContact CD1-CD1 4.19Å; I513-L670 HydrophobicContact CD1-CD2 3.89Å; I513-L670 HydrophobicContact CD1-CG 4.48Å; I666-L670 HydrophobicContact CG2-CD1 4.02Å; I666-L670 HydrophobicContact CG2-CG 4.23Å; I666-L670 WeakPolarHBondContact O-CB 3.38Å; I666-L670 VanDerWaalsContact O-CG 3.28Å; I666-L670 WeakPolarHBondContact O-CG 3.38Å; I666-L670 PolarHBondContact O-N 3.28Å; Q667-L670 PolarHBondContact O-N 3.39Å; S668-L670 PolarHBondContact O-N 3.12Å; L670-T673 PolarHBondContact O-N 3Å; L670-S674 WeakPolarHBondContact O-CB 3.35Å; L670-S674 PolarHBondContact O-N 3.49Å
671	N	78.4	Confident	74.1	Confident	83 Å²	83	41 Å²	41	44%	0.444	21%	0.212	S	C	.	.	H	α-helix	trans	-65.5	-43.9	177.9	-72.9	-25.2	0	0	0	112	Y505 Q667 S668 L669 S674 L675	Y505-N671 PolarHBondContact OH-OD1 3.44Å; Q667-N671 VanDerWaalsContact O-CG 3.3Å; Q667-N671 PolarHBondContact O-N 3.49Å; Q667-N671 VanDerWaalsContact O-N 3.12Å; Q667-N671 PolarHBondContact O-ND2 2.95Å; S668-N671 PolarHBondContact O-N 3.1Å; L669-N671 VanDerWaalsContact C-N 3.35Å; L669-N671 PolarHBondContact O-N 2.69Å; N671-S674 PolarHBondContact O-N 2.89Å; N671-L675 WeakPolarHBondContact O-CG 3.16Å; N671-L675 PolarHBondContact O-N 2.73Å; N671-L675 VanDerWaalsContact O-N 3.16Å
672	Q	73.6	Confident	73.7	Confident	70 Å²	70	44.1 Å²	44.1	33%	0.327	23%	0.227	S	C	.	.	H	α-helix	trans	-64.7	-41.9	176.4	-71	177	-12.2	0	0	112	S668 L669 S674 L675 L676	S668-Q672 WeakPolarHBondContact O-CG 3.36Å; S668-Q672 PolarHBondContact O-N 3.23Å; L669-Q672 PolarHBondContact O-N 3.35Å; Q672-S674 PolarHBondContact O-N 3.01Å; Q672-L675 PolarHBondContact O-N 3.37Å; Q672-L676 WeakPolarHBondContact O-CB 3.41Å; Q672-L676 PolarHBondContact O-N 3.3Å
673	T	70.8	Confident	73.4	Confident	7 Å²	7	48 Å²	48	4%	0.043	25%	0.245	C	C	.	.	H	α-helix	trans	-63.4	-41.7	178.2	-54.7	0	0	0	0	111	L504 L669 L670 L675 L676 L677	L504-T673 HydrophobicContact CD1-CG2 4.41Å; L504-T673 HydrophobicContact CD2-CG2 4.29Å; L669-T673 VanDerWaalsContact O-CB 3.31Å; L669-T673 WeakPolarHBondContact O-CB 3.5Å; L669-T673 PolarHBondContact O-N 2.64Å; L669-T673 PolarHBondContact O-OG1 3.27Å; L670-T673 PolarHBondContact O-N 3Å; T673-L675 PolarHBondContact O-N 3.06Å; T673-L676 PolarHBondContact O-N 3.43Å; T673-L677 HydrophobicContact CG2-CD1 3.82Å; T673-L677 HydrophobicContact CG2-CG 4.3Å; T673-L677 WeakPolarHBondContact O-CB 3.26Å; T673-L677 VanDerWaalsContact O-CG 3.3Å; T673-L677 WeakPolarHBondContact O-CG 3.34Å; T673-L677 PolarHBondContact O-N 3.02Å
674	S	76.5	Confident	72.7	Confident	6 Å²	6	44.5 Å²	44.5	4%	0.042	23%	0.226	C	C	.	.	H	α-helix	trans	-59.9	-46.2	175	-178.3	0	0	0	0	112.4	N501 L670 N671 Q672 L676 L677 N678	N501-S674 WeakPolarHBondContact OD1-CB 3.27Å; N501-S674 PolarHBondContact OD1-OG 2.83Å; L670-S674 WeakPolarHBondContact O-CB 3.35Å; L670-S674 PolarHBondContact O-N 3.49Å; N671-S674 PolarHBondContact O-N 2.89Å; Q672-S674 PolarHBondContact O-N 3.01Å; S674-L676 PolarHBondContact O-N 3.4Å; S674-L677 PolarHBondContact O-N 2.97Å; S674-N678 WeakPolarHBondContact O-CB 3.44Å; S674-N678 PolarHBondContact O-N 3.32Å; S674-N678 PolarHBondContact O-ND2 3.4Å; S674-N678 PolarHBondContact OG-ND2 3.2Å
675	L	76.1	Confident	72.3	Confident	129 Å²	129	42.3 Å²	42.3	68%	0.675	21%	0.208	S	C	*	.	H	α-helix	trans	-62.2	-43.8	178.2	-71.7	171.8	0	0	0	111.9	N671 Q672 T673 Y679	N671-L675 WeakPolarHBondContact O-CG 3.16Å; N671-L675 PolarHBondContact O-N 2.73Å; N671-L675 VanDerWaalsContact O-N 3.16Å; Q672-L675 PolarHBondContact O-N 3.37Å; T673-L675 PolarHBondContact O-N 3.06Å; L675-Y679 WeakPolarHBondContact O-CB 3.39Å; L675-Y679 PolarHBondContact O-N 2.77Å; L675-Y679 VanDerWaalsContact O-N 3.13Å
676	L	73.3	Confident	71.9	Confident	37 Å²	37	42.6 Å²	42.6	19%	0.194	21%	0.211	C	C	.	.	H	α-helix	trans	-64.2	-48	178.8	-178.1	72.5	0	0	0	111.9	N195 Q672 T673 S674 N678 Y679 E680	N195-L676 HydrophobicContact CB-CD1 4.26Å; N195-L676 HydrophobicContact CB-CD2 3.42Å; N195-L676 VanDerWaalsContact CB-CD2 3.42Å; N195-L676 HydrophobicContact CB-CG 4.46Å; Q672-L676 WeakPolarHBondContact O-CB 3.41Å; Q672-L676 PolarHBondContact O-N 3.3Å; T673-L676 PolarHBondContact O-N 3.43Å; S674-L676 PolarHBondContact O-N 3.4Å; L676-N678 PolarHBondContact O-N 2.72Å; L676-Y679 PolarHBondContact O-N 3.09Å; L676-E680 HydrophobicContact CD1-CG 4.38Å; L676-E680 WeakPolarHBondContact O-CG 3.44Å; L676-E680 PolarHBondContact O-N 2.89Å
677	L	71	Confident	71.2	Confident	8 Å²	8	45.7 Å²	45.7	4%	0.042	23%	0.227	C	C	.	.	H	α-helix	trans	-60.1	-46	179	-76.5	168.5	0	0	0	111.5	V192 F500 L504 T673 S674 Y679 E680 F681	V192-L677 HydrophobicContact CG1-CD2 3.59Å; V192-L677 HydrophobicContact CG1-CG 4.49Å; V192-L677 HydrophobicContact CG2-CD2 4.37Å; F500-L677 HydrophobicContact CB-CB 4.37Å; F500-L677 HydrophobicContact CB-CD1 4.4Å; F500-L677 HydrophobicContact CD1-CB 3.88Å; F500-L677 HydrophobicContact CD1-CD1 3.7Å; F500-L677 HydrophobicContact CD1-CD2 4.48Å; F500-L677 HydrophobicContact CD1-CG 4.25Å; F500-L677 HydrophobicContact CD2-CB 3.84Å; F500-L677 HydrophobicContact CE1-CB 4.12Å; F500-L677 HydrophobicContact CE1-CD1 4.26Å; F500-L677 HydrophobicContact CE1-CD2 4.24Å; F500-L677 HydrophobicContact CE1-CG 4.46Å; F500-L677 HydrophobicContact CE2-CB 4.09Å; F500-L677 HydrophobicContact CG-CB 3.75Å; F500-L677 HydrophobicContact CG-CD1 4.14Å; F500-L677 HydrophobicContact CZ-CB 4.24Å; L504-L677 HydrophobicContact CD1-CD1 4.43Å; T673-L677 HydrophobicContact CG2-CD1 3.82Å; T673-L677 HydrophobicContact CG2-CG 4.3Å; T673-L677 WeakPolarHBondContact O-CB 3.26Å; T673-L677 VanDerWaalsContact O-CG 3.3Å; T673-L677 WeakPolarHBondContact O-CG 3.34Å; T673-L677 PolarHBondContact O-N 3.02Å; S674-L677 PolarHBondContact O-N 2.97Å; L677-Y679 VanDerWaalsContact C-N 3.31Å; L677-Y679 PolarHBondContact O-N 2.95Å; L677-E680 PolarHBondContact O-N 2.91Å; L677-F681 HydrophobicContact CD2-CE2 4.22Å; L677-F681 WeakPolarHBondContact O-CB 3.48Å; L677-F681 WeakPolarHBondContact O-CD2 3.36Å; L677-F681 PolarHBondContact O-N 3.02Å
678	N	71.8	Confident	70.3	Confident	36 Å²	36	42.3 Å²	42.3	19%	0.193	21%	0.212	C	C	.	.	H	α-helix	trans	-58	-44.4	176.5	-78.4	-54.4	0	0	0	111.7	F500 S674 L676 E682	F500-N678 WeakPolarHBondContact CD2-OD1 3.31Å; S674-N678 WeakPolarHBondContact O-CB 3.44Å; S674-N678 PolarHBondContact O-N 3.32Å; S674-N678 PolarHBondContact O-ND2 3.4Å; S674-N678 PolarHBondContact OG-ND2 3.2Å; L676-N678 PolarHBondContact O-N 2.72Å; N678-E682 WeakPolarHBondContact O-CB 3.45Å; N678-E682 WeakPolarHBondContact O-CG 3.45Å; N678-E682 PolarHBondContact O-N 3.38Å
679	Y	71.3	Confident	69.7	Low	138 Å²	138	42.9 Å²	42.9	54%	0.541	21%	0.211	S	C	.	.	H	α-helix	trans	-64.4	-49.7	179.8	178.9	-97.7	0	0	0	112.7	L675 L676 L677 F681 E682 Q683	L675-Y679 WeakPolarHBondContact O-CB 3.39Å; L675-Y679 PolarHBondContact O-N 2.77Å; L675-Y679 VanDerWaalsContact O-N 3.13Å; L676-Y679 PolarHBondContact O-N 3.09Å; L677-Y679 VanDerWaalsContact C-N 3.31Å; L677-Y679 PolarHBondContact O-N 2.95Å; Y679-F681 PolarHBondContact O-N 2.7Å; Y679-E682 PolarHBondContact O-N 3.25Å; Y679-Q683 HydrophobicContact CE1-CG 4.22Å; Y679-Q683 WeakPolarHBondContact O-CG 3.18Å; Y679-Q683 PolarHBondContact O-N 3.22Å; Y679-Q683 VanDerWaalsContact O-N 3.14Å
680	E	68.6	Low	69.3	Low	26 Å²	26	45 Å²	45	12%	0.121	23%	0.225	C	C	.	.	H	α-helix	trans	-65.5	-39.7	-177.9	-73.7	-66.4	164.7	0	0	112	T188 V192 L676 L677 Q683 L684	T188-E680 HydrophobicContact CG2-CB 3.86Å; V192-E680 HydrophobicContact CG2-CB 3.76Å; V192-E680 HydrophobicContact CG2-CG 3.76Å; L676-E680 HydrophobicContact CD1-CG 4.38Å; L676-E680 WeakPolarHBondContact O-CG 3.44Å; L676-E680 PolarHBondContact O-N 2.89Å; L677-E680 PolarHBondContact O-N 2.91Å; E680-Q683 PolarHBondContact O-N 3.47Å; E680-L684 PolarHBondContact O-N 3.04Å
681	F	68.2	Low	68.7	Low	8 Å²	8	45 Å²	45	4%	0.035	23%	0.225	C	C	.	.	H	α-helix	trans	-69.6	-35.8	175	-87.5	-93.8	0	0	0	112.8	F189 F363 I498 F500 L677 Y679 Q683 L684 F685	F189-F681 HydrophobicContact CE1-CE2 4.26Å; F189-F681 AromaticContact CE1-CZ 3.79Å; F189-F681 HydrophobicContact CE1-CZ 3.79Å; F189-F681 HydrophobicContact CZ-CZ 4.03Å; F363-F681 HydrophobicContact CD1-CE1 4.47Å; F363-F681 HydrophobicContact CD1-CZ 4.44Å; F363-F681 AromaticContact CE1-CE1 3.72Å; F363-F681 HydrophobicContact CE1-CE1 3.72Å; F363-F681 HydrophobicContact CE1-CZ 4.12Å; F363-F681 AromaticContact CE2-CE1 4Å; F363-F681 HydrophobicContact CE2-CE1 4Å; F363-F681 HydrophobicContact CE2-CZ 4.36Å; F363-F681 HydrophobicContact CZ-CD1 4.48Å; F363-F681 AromaticContact CZ-CE1 3.45Å; F363-F681 HydrophobicContact CZ-CE1 3.45Å; F363-F681 VanDerWaalsContact CZ-CE1 3.45Å; F363-F681 HydrophobicContact CZ-CZ 4.09Å; I498-F681 HydrophobicContact CD1-CD1 3.86Å; I498-F681 HydrophobicContact CD1-CE1 3.77Å; I498-F681 HydrophobicContact CD1-CZ 4.45Å; F500-F681 HydrophobicContact CE1-CD2 4.13Å; F500-F681 AromaticContact CE1-CE2 3.9Å; F500-F681 HydrophobicContact CE1-CE2 3.9Å; F500-F681 HydrophobicContact CE1-CZ 4.38Å; F500-F681 HydrophobicContact CE2-CB 4.04Å; F500-F681 AromaticContact CE2-CD2 3.76Å; F500-F681 HydrophobicContact CE2-CD2 3.76Å; F500-F681 HydrophobicContact CE2-CE2 4.35Å; F500-F681 AromaticContact CE2-CG 3.89Å; F500-F681 HydrophobicContact CE2-CG 3.89Å; F500-F681 HydrophobicContact CZ-CB 4.25Å; F500-F681 HydrophobicContact CZ-CD1 4.09Å; F500-F681 AromaticContact CZ-CD2 3.22Å; F500-F681 HydrophobicContact CZ-CD2 3.22Å; F500-F681 HydrophobicContact CZ-CE1 4.24Å; F500-F681 AromaticContact CZ-CE2 3.39Å; F500-F681 HydrophobicContact CZ-CE2 3.39Å; F500-F681 AromaticContact CZ-CG 3.58Å; F500-F681 HydrophobicContact CZ-CG 3.58Å; F500-F681 AromaticContact CZ-CZ 3.9Å; F500-F681 HydrophobicContact CZ-CZ 3.9Å; L677-F681 HydrophobicContact CD2-CE2 4.22Å; L677-F681 WeakPolarHBondContact O-CB 3.48Å; L677-F681 WeakPolarHBondContact O-CD2 3.36Å; L677-F681 PolarHBondContact O-N 3.02Å; Y679-F681 PolarHBondContact O-N 2.7Å; F681-Q683 VanDerWaalsContact C-N 3.28Å; F681-Q683 PolarHBondContact O-N 3.28Å; F681-L684 HydrophobicContact CD1-CD2 4.41Å; F681-L684 WeakPolarHBondContact O-CB 3.49Å; F681-L684 PolarHBondContact O-N 3.04Å; F681-F685 HydrophobicContact CB-CE2 4.32Å; F681-F685 HydrophobicContact CD1-CE2 4.07Å; F681-F685 HydrophobicContact CD1-CZ 4.48Å; F681-F685 WeakPolarHBondContact O-CD2 3.46Å; F681-F685 PolarHBondContact O-N 2.9Å
682	E	66	Low	68.1	Low	86 Å²	86	42.9 Å²	42.9	40%	0.402	21%	0.214	S	C	.	.	H	α-helix	trans	-58.4	-41.8	171.4	-85.4	-162.2	-156.9	0	0	111.7	K490 N678 Y679 F685 A686	K490-E682 IonicContact NZ-OE2 3.34Å; K490-E682 PolarHBondContact NZ-OE2 3.1Å; N678-E682 WeakPolarHBondContact O-CB 3.45Å; N678-E682 WeakPolarHBondContact O-CG 3.45Å; N678-E682 PolarHBondContact O-N 3.38Å; Y679-E682 PolarHBondContact O-N 3.25Å; E682-F685 PolarHBondContact O-N 3.44Å; E682-A686 PolarHBondContact O-N 3.47Å
683	Q	66.5	Low	67.7	Low	81 Å²	81	43.4 Å²	43.4	38%	0.379	22%	0.219	S	C	.	.	H	α-helix	trans	-66.3	-42.3	176.9	-67.1	-63.5	-17.1	0	0	112.2	Y679 E680 F681 F685 A686 N687	Y679-Q683 HydrophobicContact CE1-CG 4.22Å; Y679-Q683 WeakPolarHBondContact O-CG 3.18Å; Y679-Q683 PolarHBondContact O-N 3.22Å; Y679-Q683 VanDerWaalsContact O-N 3.14Å; E680-Q683 PolarHBondContact O-N 3.47Å; F681-Q683 VanDerWaalsContact C-N 3.28Å; F681-Q683 PolarHBondContact O-N 3.28Å; Q683-F685 PolarHBondContact O-N 3.05Å; Q683-A686 PolarHBondContact O-N 3.42Å; Q683-N687 PolarHBondContact O-N 3.25Å; Q683-N687 PolarHBondContact O-ND2 3.33Å
684	L	66	Low	67.5	Low	2 Å²	2	45.5 Å²	45.5	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-56.7	-49.6	174.7	-177.6	118.1	0	0	0	111.2	T185 T188 E680 F681 A686 N687 I688	T185-L684 HydrophobicContact CG2-CD1 3.88Å; T188-L684 HydrophobicContact CG2-CB 4.42Å; T188-L684 HydrophobicContact CG2-CD1 4.24Å; E680-L684 PolarHBondContact O-N 3.04Å; F681-L684 HydrophobicContact CD1-CD2 4.41Å; F681-L684 WeakPolarHBondContact O-CB 3.49Å; F681-L684 PolarHBondContact O-N 3.04Å; L684-A686 VanDerWaalsContact C-N 3.32Å; L684-A686 PolarHBondContact O-N 2.78Å; L684-N687 PolarHBondContact O-N 3.04Å; L684-N687 VanDerWaalsContact O-N 3.14Å; L684-I688 HydrophobicContact CD1-CD1 4.47Å; L684-I688 HydrophobicContact CD2-CD1 3.5Å; L684-I688 HydrophobicContact CG-CD1 3.67Å; L684-I688 WeakPolarHBondContact O-CG1 3.47Å; L684-I688 PolarHBondContact O-N 3.05Å; L684-I688 VanDerWaalsContact O-N 3.11Å
685	F	64.7	Low	67.3	Low	25 Å²	25	45.4 Å²	45.4	11%	0.11	23%	0.229	C	C	.	.	H	α-helix	trans	-67	-29.7	179.5	-72.6	-55.9	0	0	0	113.7	I489 I497 F681 E682 Q683 N687 L689	I489-F685 HydrophobicContact CD1-CB 3.7Å; I489-F685 HydrophobicContact CD1-CD1 3.35Å; I489-F685 HydrophobicContact CD1-CE1 4.15Å; I489-F685 HydrophobicContact CD1-CG 3.68Å; I497-F685 HydrophobicContact CB-CE2 4.14Å; I497-F685 HydrophobicContact CB-CZ 4.22Å; I497-F685 HydrophobicContact CD1-CD1 3.92Å; I497-F685 HydrophobicContact CD1-CD2 3.88Å; I497-F685 HydrophobicContact CD1-CE1 3.66Å; I497-F685 HydrophobicContact CD1-CE2 3.64Å; I497-F685 HydrophobicContact CD1-CG 4.03Å; I497-F685 HydrophobicContact CD1-CZ 3.53Å; I497-F685 HydrophobicContact CG1-CE2 4.36Å; I497-F685 HydrophobicContact CG1-CZ 4.46Å; I497-F685 HydrophobicContact CG2-CZ 4.17Å; F681-F685 HydrophobicContact CB-CE2 4.32Å; F681-F685 HydrophobicContact CD1-CE2 4.07Å; F681-F685 HydrophobicContact CD1-CZ 4.48Å; F681-F685 WeakPolarHBondContact O-CD2 3.46Å; F681-F685 PolarHBondContact O-N 2.9Å; E682-F685 PolarHBondContact O-N 3.44Å; Q683-F685 PolarHBondContact O-N 3.05Å; F685-N687 VanDerWaalsContact C-N 3.29Å; F685-L689 PolarHBondContact O-N 3.23Å
686	A	61.8	Low	66.8	Low	12 Å²	12	44.7 Å²	44.7	10%	0.099	22%	0.22	C	C	.	.	H	α-helix	trans	-65.2	-32.6	172.6	0	0	0	0	0	113	E682 Q683 L684	E682-A686 PolarHBondContact O-N 3.47Å; Q683-A686 PolarHBondContact O-N 3.42Å; L684-A686 VanDerWaalsContact C-N 3.32Å; L684-A686 PolarHBondContact O-N 2.78Å
687	N	62.2	Low	66.4	Low	74 Å²	74	46.3 Å²	46.3	40%	0.396	23%	0.228	S	C	.	.	H	α-helix	trans	-84.7	-33.7	-179.2	-68	-31	0	0	0	113.4	Q683 L684 F685	Q683-N687 PolarHBondContact O-N 3.25Å; Q683-N687 PolarHBondContact O-ND2 3.33Å; L684-N687 PolarHBondContact O-N 3.04Å; L684-N687 VanDerWaalsContact O-N 3.14Å; F685-N687 VanDerWaalsContact C-N 3.29Å
688	I	61.4	Low	66.1	Low	11 Å²	11	47.7 Å²	47.7	6%	0.056	24%	0.235	C	C	.	.	H	α-helix	trans	-73.6	-40.6	-177.5	-65.4	167.6	0	0	0	112.2	F177 T181 W367 L684 P690	F177-I688 HydrophobicContact CZ-CG2 4.36Å; T181-I688 HydrophobicContact CG2-CG1 4.25Å; T181-I688 HydrophobicContact CG2-CG2 4.34Å; W367-I688 HydrophobicContact CH2-CD1 3.77Å; W367-I688 HydrophobicContact CZ2-CD1 3.81Å; L684-I688 HydrophobicContact CD1-CD1 4.47Å; L684-I688 HydrophobicContact CD2-CD1 3.5Å; L684-I688 HydrophobicContact CG-CD1 3.67Å; L684-I688 WeakPolarHBondContact O-CG1 3.47Å; L684-I688 PolarHBondContact O-N 3.05Å; L684-I688 VanDerWaalsContact O-N 3.11Å; I688-P690 VanDerWaalsContact C-CD 3.4Å; I688-P690 VanDerWaalsContact O-CD 3.31Å; I688-P690 WeakPolarHBondContact O-CD 3.16Å
689	L	63.1	Low	65.7	Low	58 Å²	58	49 Å²	49	30%	0.304	24%	0.241	S	C	.	.	S	Bend	trans	-123.4	70.6	-176.6	-82.6	149.7	0	0	0	111.4	L488 I489 F685 C691 L694	L488-L689 HydrophobicContact CB-CB 4.28Å; L488-L689 HydrophobicContact CD2-CD2 4.4Å; L488-L689 PolarHBondContact N-O 2.97Å; I489-L689 HydrophobicContact CD1-CD1 3.99Å; I489-L689 HydrophobicContact CG1-CD1 4.46Å; F685-L689 PolarHBondContact O-N 3.23Å; L689-C691 PolarHBondContact O-N 3.13Å; L689-C691 VanDerWaalsContact O-N 3.09Å; L689-L694 HydrophobicContact CD2-CD1 4.02Å
690	P	64.2	Low	65.3	Low	45 Å²	45	47.4 Å²	47.4	29%	0.292	24%	0.241	S	C	.	.	B	Isolated β-bridge	trans	-64.9	113.2	177.5	24.2	-31.2	0	0	0	110.1	I688 D692 N693 L694	I688-P690 VanDerWaalsContact C-CD 3.4Å; I688-P690 VanDerWaalsContact O-CD 3.31Å; I688-P690 WeakPolarHBondContact O-CD 3.16Å; P690-D692 PolarHBondContact O-N 3.41Å; P690-N693 HydrophobicContact CB-CB 4.45Å; P690-N693 HydrophobicContact CG-CB 4.02Å; P690-N693 VanDerWaalsContact CG-ND2 3.28Å; P690-N693 WeakPolarHBondContact CG-ND2 3.38Å; P690-N693 PolarHBondContact O-N 3.33Å; P690-N693 VanDerWaalsContact O-N 3.12Å; P690-L694 PolarHBondContact O-N 3.19Å
691	C	67.9	Low	64.7	Low	3 Å²	3	49.7 Å²	49.7	2%	0.02	25%	0.253	C	S	.	.	H	α-helix	trans	-52.8	-39.5	-178.7	-146.3	0	0	0	0	111.8	C470 Y486 L491 L689 N693 L694 N695	C470-C691 HydrophobicContact CB-CB 3.84Å; C470-C691 WeakPolarHBondContact CB-O 3.23Å; C470-C691 WeakPolarHBondContact CB-SG 3.32Å; C470-C691 VanDerWaalsContact SG-CA 3.59Å; C470-C691 WeakPolarHBondContact SG-CB 3.29Å; C470-C691 PolarHBondContact SG-O 3.49Å; C470-C691 VanDerWaalsContact SG-O 3.34Å; C470-C691 CovalentContact SG-SG 2.02Å; C470-C691 PolarHBondContact SG-SG 2.92Å; Y486-C691 WeakPolarHBondContact O-CB 3.47Å; L491-C691 HydrophobicContact CD1-CB 4.21Å; L491-C691 WeakPolarHBondContact CD1-SG 3.37Å; L689-C691 PolarHBondContact O-N 3.13Å; L689-C691 VanDerWaalsContact O-N 3.09Å; C691-N693 PolarHBondContact O-N 3.35Å; C691-L694 PolarHBondContact O-N 3.4Å; C691-N695 PolarHBondContact O-N 2.9Å
692	D	65.1	Low	64.2	Low	39 Å²	39	51.4 Å²	51.4	21%	0.209	26%	0.263	C	S	.	.	H	α-helix	trans	-65	-36.4	-176.9	-63.9	-14.4	0	0	0	112.7	T473 P690 K696	T473-D692 PolarHBondContact OG1-OD1 2.99Å; P690-D692 PolarHBondContact O-N 3.41Å; D692-K696 VanDerWaalsContact O-CG 3.32Å; D692-K696 WeakPolarHBondContact O-CG 3.5Å; D692-K696 PolarHBondContact O-N 3.42Å
693	N	66.1	Low	63.9	Low	80 Å²	80	51.7 Å²	51.7	43%	0.428	27%	0.267	S	S	.	.	H	α-helix	trans	-71.8	-39.9	178.9	-72.1	-16.3	0	0	0	111.2	P690 C691 N695 K696 I697	P690-N693 HydrophobicContact CB-CB 4.45Å; P690-N693 HydrophobicContact CG-CB 4.02Å; P690-N693 VanDerWaalsContact CG-ND2 3.28Å; P690-N693 WeakPolarHBondContact CG-ND2 3.38Å; P690-N693 PolarHBondContact O-N 3.33Å; P690-N693 VanDerWaalsContact O-N 3.12Å; C691-N693 PolarHBondContact O-N 3.35Å; N693-N695 VanDerWaalsContact C-N 3.33Å; N693-K696 PolarHBondContact O-N 2.95Å; N693-I697 WeakPolarHBondContact O-CG1 3.34Å; N693-I697 PolarHBondContact O-N 3.47Å
694	L	66.7	Low	63.2	Low	51 Å²	51	53.3 Å²	53.3	27%	0.267	28%	0.278	S	S	.	.	H	α-helix	trans	-63.6	-40.8	175.5	-71.6	171.6	0	0	0	111.6	I466 L488 L689 P690 C691 I697 L698	I466-L694 HydrophobicContact CG2-CB 4.3Å; L488-L694 HydrophobicContact CB-CD1 4.39Å; L488-L694 HydrophobicContact CD1-CD1 4.17Å; L488-L694 HydrophobicContact CD2-CD1 3.65Å; L488-L694 HydrophobicContact CG-CD1 4.28Å; L689-L694 HydrophobicContact CD2-CD1 4.02Å; P690-L694 PolarHBondContact O-N 3.19Å; C691-L694 PolarHBondContact O-N 3.4Å; L694-I697 PolarHBondContact O-N 3.43Å; L694-L698 WeakPolarHBondContact O-CB 3.24Å; L694-L698 PolarHBondContact O-N 3.26Å
695	N	70.5	Confident	62.3	Low	5 Å²	5	57.5 Å²	57.5	3%	0.027	30%	0.296	C	S	.	.	H	α-helix	trans	-62.1	-46.3	173.5	-171.6	-0.2	0	0	0	111.8	C470 Q471 C691 N693 I697 L698 M699	C470-N695 HydrophobicContact CB-CB 3.73Å; C470-N695 PolarHBondContact O-ND2 3.17Å; Q471-N695 WeakPolarHBondContact CA-ND2 3.36Å; Q471-N695 WeakPolarHBondContact CB-ND2 3.29Å; Q471-N695 PolarHBondContact N-ND2 3.48Å; Q471-N695 VanDerWaalsContact N-ND2 3.19Å; C691-N695 PolarHBondContact O-N 2.9Å; N693-N695 VanDerWaalsContact C-N 3.33Å; N695-I697 VanDerWaalsContact C-N 3.34Å; N695-I697 PolarHBondContact O-N 3.4Å; N695-L698 PolarHBondContact O-N 3.25Å; N695-M699 WeakPolarHBondContact O-CB 3.33Å; N695-M699 WeakPolarHBondContact O-CG 3.43Å; N695-M699 PolarHBondContact O-N 2.87Å; N695-M699 WeakPolarHBondContact OD1-CG 3.22Å
696	K	66	Low	61.5	Low	114 Å²	114	60.8 Å²	60.8	50%	0.496	32%	0.321	S	S	.	.	H	α-helix	trans	-57.3	-45	175.8	-75.8	173.4	-175.5	174.5	0	112.1	D692 N693 M699 I700	D692-K696 VanDerWaalsContact O-CG 3.32Å; D692-K696 WeakPolarHBondContact O-CG 3.5Å; D692-K696 PolarHBondContact O-N 3.42Å; N693-K696 PolarHBondContact O-N 2.95Å; K696-M699 PolarHBondContact O-N 2.82Å; K696-I700 WeakPolarHBondContact O-CD1 3.38Å; K696-I700 WeakPolarHBondContact O-CG1 3.41Å; K696-I700 PolarHBondContact O-N 3.09Å
697	I	64.4	Low	60.8	Low	71 Å²	71	63.8 Å²	63.8	36%	0.364	34%	0.335	S	S	.	.	H	α-helix	trans	-62	-45.8	176.7	-67.5	165.4	0	0	0	110.7	F173 N693 L694 N695 M699 I700 L701	F173-I697 HydrophobicContact CE2-CD1 4.21Å; N693-I697 WeakPolarHBondContact O-CG1 3.34Å; N693-I697 PolarHBondContact O-N 3.47Å; L694-I697 PolarHBondContact O-N 3.43Å; N695-I697 VanDerWaalsContact C-N 3.34Å; N695-I697 PolarHBondContact O-N 3.4Å; I697-M699 VanDerWaalsContact C-N 3.34Å; I697-M699 PolarHBondContact O-N 2.99Å; I697-I700 PolarHBondContact O-N 2.97Å; I697-L701 HydrophobicContact CG2-CD1 3.95Å; I697-L701 PolarHBondContact O-N 3.13Å
698	L	66.6	Low	59.9	Low	36 Å²	36	65.9 Å²	65.9	19%	0.188	36%	0.356	C	S	.	.	H	α-helix	trans	-61	-42.3	177.6	-176	69	0	0	0	111.7	Y463 I466 R467 L694 N695 L701 L702	Y463-L698 HydrophobicContact CD2-CD1 4.49Å; Y463-L698 HydrophobicContact CD2-CD2 4.3Å; Y463-L698 HydrophobicContact CE2-CD1 4.16Å; Y463-L698 HydrophobicContact CE2-CD2 4.05Å; I466-L698 HydrophobicContact CB-CD2 4.29Å; I466-L698 HydrophobicContact CG2-CB 4.18Å; I466-L698 HydrophobicContact CG2-CD2 3.66Å; R467-L698 HydrophobicContact CB-CD2 4.12Å; L694-L698 WeakPolarHBondContact O-CB 3.24Å; L694-L698 PolarHBondContact O-N 3.26Å; N695-L698 PolarHBondContact O-N 3.25Å; L698-L701 PolarHBondContact O-N 3.15Å; L698-L702 HydrophobicContact CD1-CD1 4.37Å; L698-L702 HydrophobicContact CD2-CD1 4.38Å; L698-L702 HydrophobicContact CG-CD1 3.87Å; L698-L702 WeakPolarHBondContact O-CB 3.42Å; L698-L702 WeakPolarHBondContact O-CG 3.4Å; L698-L702 PolarHBondContact O-N 3.37Å
699	M	62.2	Low	59.4	Low	65 Å²	65	69.9 Å²	69.9	32%	0.32	38%	0.381	S	S	.	.	H	α-helix	trans	-68.6	-36.9	177.7	-71.1	-58.9	-60.3	0	0	112.4	N695 K696 I697 L702 N703	N695-M699 WeakPolarHBondContact O-CB 3.33Å; N695-M699 WeakPolarHBondContact O-CG 3.43Å; N695-M699 PolarHBondContact O-N 2.87Å; N695-M699 WeakPolarHBondContact OD1-CG 3.22Å; K696-M699 PolarHBondContact O-N 2.82Å; I697-M699 VanDerWaalsContact C-N 3.34Å; I697-M699 PolarHBondContact O-N 2.99Å; M699-L702 HydrophobicContact SD-CD1 4.32Å; M699-N703 VanDerWaalsContact O-CB 3.28Å; M699-N703 WeakPolarHBondContact O-CB 3.22Å; M699-N703 PolarHBondContact O-N 3.33Å; M699-N703 PolarHBondContact O-OD1 2.85Å
700	I	62.4	Low	58.4	Low	103 Å²	103	74 Å²	74	53%	0.528	40%	0.398	S	S	.	.	H	α-helix	trans	-63.4	-46.3	173.1	-69.9	162.9	0	0	0	110.3	K696 I697 N703 L704	K696-I700 WeakPolarHBondContact O-CD1 3.38Å; K696-I700 WeakPolarHBondContact O-CG1 3.41Å; K696-I700 PolarHBondContact O-N 3.09Å; I697-I700 PolarHBondContact O-N 2.97Å; I700-N703 PolarHBondContact O-N 3.29Å; I700-L704 HydrophobicContact CG2-CD1 4.11Å; I700-L704 WeakPolarHBondContact O-CB 3.46Å; I700-L704 PolarHBondContact O-N 3Å
701	L	55.7	Low	57.4	Low	75 Å²	75	74.5 Å²	74.5	39%	0.393	40%	0.403	S	S	.	.	H	α-helix	trans	-61.2	-48.9	176	-79.7	160.9	0	0	0	111.4	I697 L698 N703 L704 F705	I697-L701 HydrophobicContact CG2-CD1 3.95Å; I697-L701 PolarHBondContact O-N 3.13Å; L698-L701 PolarHBondContact O-N 3.15Å; L701-N703 VanDerWaalsContact C-N 3.32Å; L701-N703 PolarHBondContact O-N 3.45Å; L701-L704 WeakPolarHBondContact O-CB 3.27Å; L701-L704 PolarHBondContact O-N 3.42Å; L701-L704 VanDerWaalsContact O-N 3.15Å; L701-F705 HydrophobicContact CD2-CE2 3.94Å; L701-F705 WeakPolarHBondContact O-CD2 3.14Å; L701-F705 PolarHBondContact O-N 2.77Å
702	L	58.6	Low	56.3	Low	44 Å²	44	81 Å²	81	23%	0.23	44%	0.436	C	S	.	.	H	α-helix	trans	-60	-41.4	177.4	-80.6	163.2	0	0	0	111.7	L698 M699 F705 C706	L698-L702 HydrophobicContact CD1-CD1 4.37Å; L698-L702 HydrophobicContact CD2-CD1 4.38Å; L698-L702 HydrophobicContact CG-CD1 3.87Å; L698-L702 WeakPolarHBondContact O-CB 3.42Å; L698-L702 WeakPolarHBondContact O-CG 3.4Å; L698-L702 PolarHBondContact O-N 3.37Å; M699-L702 HydrophobicContact SD-CD1 4.32Å; L702-F705 PolarHBondContact O-N 3.49Å; L702-C706 WeakPolarHBondContact O-CA 3.46Å; L702-C706 WeakPolarHBondContact O-CB 3.32Å; L702-C706 PolarHBondContact O-N 3.48Å
703	N	59.2	Low	55.3	Low	91 Å²	91	84.5 Å²	84.5	49%	0.487	46%	0.458	S	S	.	.	H	α-helix	trans	-65.8	-40.8	175.1	-72.3	-5.4	0	0	0	111.2	M699 I700 L701 F705 D707	M699-N703 VanDerWaalsContact O-CB 3.28Å; M699-N703 WeakPolarHBondContact O-CB 3.22Å; M699-N703 PolarHBondContact O-N 3.33Å; M699-N703 PolarHBondContact O-OD1 2.85Å; I700-N703 PolarHBondContact O-N 3.29Å; L701-N703 VanDerWaalsContact C-N 3.32Å; L701-N703 PolarHBondContact O-N 3.45Å; N703-F705 VanDerWaalsContact C-N 3.28Å; N703-F705 PolarHBondContact O-N 3.24Å; N703-D707 WeakPolarHBondContact O-CB 3.31Å; N703-D707 PolarHBondContact O-N 2.89Å
704	L	51.8	Low	54.4	Low	116 Å²	116	85.7 Å²	85.7	61%	0.607	46%	0.464	S	S	*	.	H	α-helix	trans	-61.3	-34.2	176.6	-116.2	130.8	0	0	0	113.4	I700 L701	I700-L704 HydrophobicContact CG2-CD1 4.11Å; I700-L704 WeakPolarHBondContact O-CB 3.46Å; I700-L704 PolarHBondContact O-N 3Å; L701-L704 WeakPolarHBondContact O-CB 3.27Å; L701-L704 PolarHBondContact O-N 3.42Å; L701-L704 VanDerWaalsContact O-N 3.15Å
705	F	47.1	Very low	53.4	Low	89 Å²	89	86.3 Å²	86.3	39%	0.39	47%	0.472	S	S	.	.	H	α-helix	trans	-96.8	-25.9	-177.4	-72.4	-68.8	0	0	0	114.6	L701 L702 N703 C715	L701-F705 HydrophobicContact CD2-CE2 3.94Å; L701-F705 WeakPolarHBondContact O-CD2 3.14Å; L701-F705 PolarHBondContact O-N 2.77Å; L702-F705 PolarHBondContact O-N 3.49Å; N703-F705 VanDerWaalsContact C-N 3.28Å; N703-F705 PolarHBondContact O-N 3.24Å; F705-C715 PolarHBondContact O-SG 3.39Å
706	C	49.5	Very low	52.5	Low	94 Å²	94	90.6 Å²	90.6	64%	0.635	49%	0.494	S	S	*	.	H	α-helix	trans	-123.3	3.5	-169.8	-60.3	0	0	0	0	114.7	L702 S708	L702-C706 WeakPolarHBondContact O-CA 3.46Å; L702-C706 WeakPolarHBondContact O-CB 3.32Å; L702-C706 PolarHBondContact O-N 3.48Å; C706-S708 PolarHBondContact O-N 3.43Å
707	D	45.3	Very low	51.9	Low	76 Å²	76	86.9 Å²	86.9	41%	0.406	49%	0.489	S	S	.	.			trans	-68.5	108.3	175.9	-164.9	-11.6	0	0	0	110.5	N703 T709 H710	N703-D707 WeakPolarHBondContact O-CB 3.31Å; N703-D707 PolarHBondContact O-N 2.89Å; D707-T709 PolarHBondContact O-N 2.93Å; D707-T709 WeakPolarHBondContact OD1-CB 3.38Å; D707-T709 WeakPolarHBondContact OD1-CG2 3.42Å; D707-T709 PolarHBondContact OD1-N 3.26Å; D707-T709 VanDerWaalsContact OD1-N 3.15Å; D707-T709 PolarHBondContact OD1-OG1 2.97Å; D707-T709 PolarHBondContact OD2-OG1 3.32Å; D707-H710 PolarHBondContact O-N 3.4Å
708	S	45.1	Very low	51.4	Low	118 Å²	118	85.1 Å²	85.1	83%	0.825	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-12.5	179.7	53.6	0	0	0	0	113.7	C706	C706-S708 PolarHBondContact O-N 3.43Å
709	T	49.9	Very low	50.8	Low	95 Å²	95	89.9 Å²	89.9	58%	0.583	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-19.6	-171.8	64.4	0	0	0	0	113.8	D707	D707-T709 PolarHBondContact O-N 2.93Å; D707-T709 WeakPolarHBondContact OD1-CB 3.38Å; D707-T709 WeakPolarHBondContact OD1-CG2 3.42Å; D707-T709 PolarHBondContact OD1-N 3.26Å; D707-T709 VanDerWaalsContact OD1-N 3.15Å; D707-T709 PolarHBondContact OD1-OG1 2.97Å; D707-T709 PolarHBondContact OD2-OG1 3.32Å
710	H	42.1	Very low	50.6	Low	145 Å²	145	92 Å²	92	67%	0.671	51%	0.514	S	S	*	.	S	Bend	trans	-121.2	79.9	-178.3	-78.6	-64.5	0	0	0	113.3	D707	D707-H710 PolarHBondContact O-N 3.4Å
711	S	42.9	Very low	50.3	Low	54 Å²	54	91 Å²	91	38%	0.378	51%	0.505	S	S	.	.			trans	57.6	112.5	160	77	0	0	0	0	116.1	V713 L714 C715	S711-V713 PolarHBondContact O-N 3.44Å; S711-L714 PolarHBondContact O-N 3.2Å; S711-L714 PolarHBondContact OG-N 2.89Å; S711-C715 PolarHBondContact O-N 3.37Å
712	I	45.7	Very low	50.6	Low	140 Å²	140	91.8 Å²	91.8	72%	0.718	51%	0.509	S	S	*	.	H	α-helix	trans	-41.2	-27	156.3	-70.7	160.2	0	0	0	111.8	L716	I712-L716 HydrophobicContact CG2-CD1 3.56Å; I712-L716 HydrophobicContact CG2-CG 4.14Å; I712-L716 WeakPolarHBondContact O-CB 3.46Å; I712-L716 WeakPolarHBondContact O-CD1 3.37Å; I712-L716 WeakPolarHBondContact O-CG 3.21Å; I712-L716 PolarHBondContact O-N 2.91Å
713	V	42.8	Very low	50.7	Low	112 Å²	112	93.2 Å²	93.2	68%	0.679	52%	0.516	S	S	*	.	H	α-helix	trans	-64.7	-38.9	174.4	-174.1	0	0	0	0	113.9	S711 G717	S711-V713 PolarHBondContact O-N 3.44Å; V713-G717 WeakPolarHBondContact O-CA 3.49Å; V713-G717 PolarHBondContact O-N 3.42Å
714	L	46.8	Very low	50.5	Low	105 Å²	105	92.3 Å²	92.3	55%	0.55	52%	0.517	S	S	.	.	H	α-helix	trans	-75	-36.9	176.5	-123	99.1	0	0	0	111.8	S711 G717 S718	S711-L714 PolarHBondContact O-N 3.2Å; S711-L714 PolarHBondContact OG-N 2.89Å; L714-G717 PolarHBondContact O-N 3.49Å; L714-S718 WeakPolarHBondContact O-CB 3.31Å; L714-S718 PolarHBondContact O-N 3.4Å; L714-S718 PolarHBondContact O-OG 3.06Å
715	C	46.6	Very low	51	Low	64 Å²	64	90.7 Å²	90.7	43%	0.432	51%	0.508	S	S	.	.	H	α-helix	trans	-69.3	-42.6	176.2	-153.8	0	0	0	0	110.7	F705 S711 S718 F719	F705-C715 PolarHBondContact O-SG 3.39Å; S711-C715 PolarHBondContact O-N 3.37Å; C715-S718 PolarHBondContact O-OG 3.31Å; C715-S718 VanDerWaalsContact O-OG 3.05Å; C715-F719 VanDerWaalsContact O-CB 3.28Å; C715-F719 WeakPolarHBondContact O-CB 3.44Å; C715-F719 PolarHBondContact O-N 2.82Å
716	L	51.5	Low	51.6	Low	95 Å²	95	89.4 Å²	89.4	50%	0.497	51%	0.511	S	S	.	.	H	α-helix	trans	-65	-40.5	169.6	-77.4	167.9	0	0	0	111.8	I712 F719 I720	I712-L716 HydrophobicContact CG2-CD1 3.56Å; I712-L716 HydrophobicContact CG2-CG 4.14Å; I712-L716 WeakPolarHBondContact O-CB 3.46Å; I712-L716 WeakPolarHBondContact O-CD1 3.37Å; I712-L716 WeakPolarHBondContact O-CG 3.21Å; I712-L716 PolarHBondContact O-N 2.91Å; L716-F719 PolarHBondContact O-N 3.23Å; L716-I720 VanDerWaalsContact O-CB 3.3Å; L716-I720 WeakPolarHBondContact O-CB 3.49Å; L716-I720 WeakPolarHBondContact O-CD1 3.37Å; L716-I720 WeakPolarHBondContact O-CG1 3.15Å; L716-I720 PolarHBondContact O-N 3.41Å
717	G	53.6	Low	52	Low	37 Å²	37	91 Å²	91	38%	0.381	50%	0.504	S	S	.	.	H	α-helix	trans	-64	-44.2	-179.8	0	0	0	0	0	112.6	V713 L714 I720 F721	V713-G717 WeakPolarHBondContact O-CA 3.49Å; V713-G717 PolarHBondContact O-N 3.42Å; L714-G717 PolarHBondContact O-N 3.49Å; G717-I720 PolarHBondContact O-N 3.29Å; G717-F721 VanDerWaalsContact O-CB 3.27Å; G717-F721 WeakPolarHBondContact O-CB 3.34Å; G717-F721 PolarHBondContact O-N 3.22Å
718	S	53.7	Low	52.5	Low	34 Å²	34	92.2 Å²	92.2	24%	0.238	51%	0.506	C	S	.	.	H	α-helix	trans	-68.6	-37.5	174.5	51.6	0	0	0	0	112.3	L714 C715 F721 I722	L714-S718 WeakPolarHBondContact O-CB 3.31Å; L714-S718 PolarHBondContact O-N 3.4Å; L714-S718 PolarHBondContact O-OG 3.06Å; C715-S718 PolarHBondContact O-OG 3.31Å; C715-S718 VanDerWaalsContact O-OG 3.05Å; S718-F721 PolarHBondContact O-N 2.86Å; S718-I722 VanDerWaalsContact O-CG1 3.3Å; S718-I722 WeakPolarHBondContact O-CG1 3.19Å; S718-I722 PolarHBondContact O-N 3.43Å
719	F	55.1	Low	53.2	Low	136 Å²	136	91.7 Å²	91.7	60%	0.596	49%	0.493	S	S	*	.	H	α-helix	trans	-64.8	-44.3	173.9	-155.6	-98.4	0	0	0	112	C715 L716 F721 I722 I723	C715-F719 VanDerWaalsContact O-CB 3.28Å; C715-F719 WeakPolarHBondContact O-CB 3.44Å; C715-F719 PolarHBondContact O-N 2.82Å; L716-F719 PolarHBondContact O-N 3.23Å; F719-F721 VanDerWaalsContact C-N 3.29Å; F719-F721 PolarHBondContact O-N 3.47Å; F719-I722 PolarHBondContact O-N 3.36Å; F719-I723 HydrophobicContact CD1-CD1 3.5Å; F719-I723 HydrophobicContact CD1-CG1 4.34Å; F719-I723 HydrophobicContact CE1-CD1 3.6Å; F719-I723 HydrophobicContact CE1-CG1 4.42Å; F719-I723 WeakPolarHBondContact O-CB 3.29Å; F719-I723 VanDerWaalsContact O-CG1 3.26Å; F719-I723 WeakPolarHBondContact O-CG1 3.24Å; F719-I723 PolarHBondContact O-N 2.76Å
720	I	56.4	Low	53.4	Low	109 Å²	109	91 Å²	91	56%	0.559	49%	0.486	S	S	*	.	H	α-helix	trans	-62.7	-38.3	174.3	-69.8	163.7	0	0	0	110.5	L716 G717 I723 S724	L716-I720 VanDerWaalsContact O-CB 3.3Å; L716-I720 WeakPolarHBondContact O-CB 3.49Å; L716-I720 WeakPolarHBondContact O-CD1 3.37Å; L716-I720 WeakPolarHBondContact O-CG1 3.15Å; L716-I720 PolarHBondContact O-N 3.41Å; G717-I720 PolarHBondContact O-N 3.29Å; I720-I723 PolarHBondContact O-N 3.01Å; I720-S724 WeakPolarHBondContact O-CB 3.44Å; I720-S724 PolarHBondContact O-N 3.43Å
721	F	56.7	Low	54.1	Low	81 Å²	81	88 Å²	88	36%	0.355	47%	0.473	S	S	.	.	H	α-helix	trans	-66.1	-44.8	177.9	-167.5	-106.1	0	0	0	112.3	S159 G717 S718 F719 I723 S724 I725	S159-F721 VanDerWaalsContact CB-CE2 3.43Å; G717-F721 VanDerWaalsContact O-CB 3.27Å; G717-F721 WeakPolarHBondContact O-CB 3.34Å; G717-F721 PolarHBondContact O-N 3.22Å; S718-F721 PolarHBondContact O-N 2.86Å; F719-F721 VanDerWaalsContact C-N 3.29Å; F719-F721 PolarHBondContact O-N 3.47Å; F721-I723 PolarHBondContact O-N 3.37Å; F721-S724 PolarHBondContact O-N 3.39Å; F721-I725 HydrophobicContact CD1-CD1 3.77Å; F721-I725 HydrophobicContact CE1-CD1 3.37Å; F721-I725 HydrophobicContact CE1-CG1 4.42Å; F721-I725 HydrophobicContact CZ-CD1 3.84Å; F721-I725 WeakPolarHBondContact O-CG1 3.41Å; F721-I725 PolarHBondContact O-N 2.89Å
722	I	62	Low	55	Low	92 Å²	92	88.4 Å²	88.4	47%	0.472	47%	0.473	S	S	.	.	H	α-helix	trans	-62.9	-42.4	175.1	-68.5	166.9	0	0	0	110.7	S718 F719 S724 S726	S718-I722 VanDerWaalsContact O-CG1 3.3Å; S718-I722 WeakPolarHBondContact O-CG1 3.19Å; S718-I722 PolarHBondContact O-N 3.43Å; F719-I722 PolarHBondContact O-N 3.36Å; I722-S724 VanDerWaalsContact C-N 3.34Å; I722-S724 PolarHBondContact O-N 3.37Å; I722-S726 WeakPolarHBondContact O-CB 3.34Å; I722-S726 PolarHBondContact O-N 2.79Å; I722-S726 PolarHBondContact O-OG 2.97Å
723	I	61.6	Low	55.7	Low	75 Å²	75	85.8 Å²	85.8	39%	0.385	46%	0.464	S	S	.	.	H	α-helix	trans	-61.7	-42.7	174.9	-70.8	168.7	0	0	0	110.9	F719 I720 F721 S726 Y727	F719-I723 HydrophobicContact CD1-CD1 3.5Å; F719-I723 HydrophobicContact CD1-CG1 4.34Å; F719-I723 HydrophobicContact CE1-CD1 3.6Å; F719-I723 HydrophobicContact CE1-CG1 4.42Å; F719-I723 WeakPolarHBondContact O-CB 3.29Å; F719-I723 VanDerWaalsContact O-CG1 3.26Å; F719-I723 WeakPolarHBondContact O-CG1 3.24Å; F719-I723 PolarHBondContact O-N 2.76Å; I720-I723 PolarHBondContact O-N 3.01Å; F721-I723 PolarHBondContact O-N 3.37Å; I723-S726 PolarHBondContact O-N 2.77Å; I723-Y727 WeakPolarHBondContact O-CB 3.42Å; I723-Y727 PolarHBondContact O-N 3.05Å
724	S	54.9	Low	56.4	Low	72 Å²	72	84.8 Å²	84.8	50%	0.503	45%	0.454	S	S	.	.	H	α-helix	trans	-63.9	-45.6	-179.4	-171.1	0	0	0	0	112.3	I720 F721 I722 S726 Y727 F728	I720-S724 WeakPolarHBondContact O-CB 3.44Å; I720-S724 PolarHBondContact O-N 3.43Å; F721-S724 PolarHBondContact O-N 3.39Å; I722-S724 VanDerWaalsContact C-N 3.34Å; I722-S724 PolarHBondContact O-N 3.37Å; S724-S726 VanDerWaalsContact C-N 3.34Å; S724-S726 PolarHBondContact O-N 3.23Å; S724-Y727 PolarHBondContact O-N 3.18Å; S724-F728 PolarHBondContact O-N 3.41Å
725	I	61.4	Low	56.7	Low	81 Å²	81	83.4 Å²	83.4	42%	0.415	45%	0.452	S	S	.	.	H	α-helix	trans	-63.5	-42	175.4	-68.5	173.3	0	0	0	110.8	F721 Y727 F728 L729	F721-I725 HydrophobicContact CD1-CD1 3.77Å; F721-I725 HydrophobicContact CE1-CD1 3.37Å; F721-I725 HydrophobicContact CE1-CG1 4.42Å; F721-I725 HydrophobicContact CZ-CD1 3.84Å; F721-I725 WeakPolarHBondContact O-CG1 3.41Å; F721-I725 PolarHBondContact O-N 2.89Å; I725-Y727 PolarHBondContact O-N 3.2Å; I725-F728 PolarHBondContact O-N 3.01Å; I725-L729 HydrophobicContact CG2-CD1 4.11Å; I725-L729 WeakPolarHBondContact O-CG 3.35Å; I725-L729 PolarHBondContact O-N 3.2Å
726	S	61	Low	57.5	Low	63 Å²	63	85.4 Å²	85.4	44%	0.441	46%	0.457	S	S	.	.	H	α-helix	trans	-63.5	-42	177.9	-56.6	0	0	0	0	111.8	I722 I723 S724 L729 L730	I722-S726 WeakPolarHBondContact O-CB 3.34Å; I722-S726 PolarHBondContact O-N 2.79Å; I722-S726 PolarHBondContact O-OG 2.97Å; I723-S726 PolarHBondContact O-N 2.77Å; S724-S726 VanDerWaalsContact C-N 3.34Å; S724-S726 PolarHBondContact O-N 3.23Å; S726-L729 PolarHBondContact O-N 2.97Å; S726-L730 WeakPolarHBondContact O-CB 3.34Å; S726-L730 PolarHBondContact O-N 3.48Å
727	Y	57.2	Low	57.7	Low	126 Å²	126	87.2 Å²	87.2	49%	0.494	46%	0.462	S	S	.	.	H	α-helix	trans	-63.4	-42.7	175.9	-174.9	-97.6	0	0	0	111.9	I723 S724 I725 L730 M731	I723-Y727 WeakPolarHBondContact O-CB 3.42Å; I723-Y727 PolarHBondContact O-N 3.05Å; S724-Y727 PolarHBondContact O-N 3.18Å; I725-Y727 PolarHBondContact O-N 3.2Å; Y727-L730 PolarHBondContact O-N 3.36Å; Y727-M731 HydrophobicContact CD1-CG 4.14Å; Y727-M731 HydrophobicContact CE1-CE 4.5Å; Y727-M731 HydrophobicContact CE1-CG 3.8Å; Y727-M731 WeakPolarHBondContact O-CG 3.45Å; Y727-M731 PolarHBondContact O-N 2.82Å
728	F	56.2	Low	57.9	Low	103 Å²	103	89.7 Å²	89.7	45%	0.452	47%	0.469	S	S	.	.	H	α-helix	trans	-61.8	-47.7	177.2	-178.2	-99.3	0	0	0	112	S724 I725 L730 M731 V732	S724-F728 PolarHBondContact O-N 3.41Å; I725-F728 PolarHBondContact O-N 3.01Å; F728-L730 VanDerWaalsContact C-N 3.31Å; F728-L730 PolarHBondContact O-N 3.2Å; F728-M731 PolarHBondContact O-N 3.46Å; F728-V732 HydrophobicContact CD1-CG2 4.46Å; F728-V732 HydrophobicContact CE1-CG2 4.12Å; F728-V732 HydrophobicContact CZ-CG2 4.21Å; F728-V732 WeakPolarHBondContact O-CG2 3.43Å; F728-V732 PolarHBondContact O-N 3.02Å
729	L	59.1	Low	58.3	Low	106 Å²	106	93.7 Å²	93.7	56%	0.555	49%	0.486	S	S	*	.	H	α-helix	trans	-63.5	-35.5	178.1	-72.8	171.1	0	0	0	112.6	I725 S726 T733	I725-L729 HydrophobicContact CG2-CD1 4.11Å; I725-L729 WeakPolarHBondContact O-CG 3.35Å; I725-L729 PolarHBondContact O-N 3.2Å; S726-L729 PolarHBondContact O-N 2.97Å; L729-T733 PolarHBondContact O-N 3.38Å; L729-T733 VanDerWaalsContact O-N 3.11Å; L729-T733 PolarHBondContact O-OG1 2.91Å
730	L	54.8	Low	58.3	Low	82 Å²	82	94 Å²	94	43%	0.429	49%	0.485	S	S	.	.	H	α-helix	trans	-71.3	-37.2	177	-169	134.1	0	0	0	112.5	S726 Y727 F728 T733 L734	S726-L730 WeakPolarHBondContact O-CB 3.34Å; S726-L730 PolarHBondContact O-N 3.48Å; Y727-L730 PolarHBondContact O-N 3.36Å; F728-L730 VanDerWaalsContact C-N 3.31Å; F728-L730 PolarHBondContact O-N 3.2Å; L730-T733 WeakPolarHBondContact CA-OG1 3.44Å; L730-T733 PolarHBondContact O-N 3.32Å; L730-T733 PolarHBondContact O-OG1 3.12Å; L730-T733 VanDerWaalsContact O-OG1 3.11Å; L730-L734 HydrophobicContact CD2-CD1 3.68Å; L730-L734 WeakPolarHBondContact O-CB 3.47Å; L730-L734 PolarHBondContact O-N 3.04Å
731	M	56.8	Low	57.9	Low	80 Å²	80	90.4 Å²	90.4	39%	0.394	47%	0.469	S	S	.	.	H	α-helix	trans	-67	-38.3	174.1	-72.6	-67.4	-93.5	0	0	111.9	Y727 F728 C735	Y727-M731 HydrophobicContact CD1-CG 4.14Å; Y727-M731 HydrophobicContact CE1-CE 4.5Å; Y727-M731 HydrophobicContact CE1-CG 3.8Å; Y727-M731 WeakPolarHBondContact O-CG 3.45Å; Y727-M731 PolarHBondContact O-N 2.82Å; F728-M731 PolarHBondContact O-N 3.46Å; M731-C735 WeakPolarHBondContact O-CB 3.49Å; M731-C735 PolarHBondContact O-N 3.24Å
732	V	60.6	Low	57.6	Low	63 Å²	63	94.8 Å²	94.8	38%	0.382	48%	0.483	S	S	.	.	H	α-helix	trans	-64.5	-45	175.5	172.5	0	0	0	0	111	F728 C735 I736	F728-V732 HydrophobicContact CD1-CG2 4.46Å; F728-V732 HydrophobicContact CE1-CG2 4.12Å; F728-V732 HydrophobicContact CZ-CG2 4.21Å; F728-V732 WeakPolarHBondContact O-CG2 3.43Å; F728-V732 PolarHBondContact O-N 3.02Å; V732-C735 PolarHBondContact O-N 2.94Å; V732-I736 HydrophobicContact CG1-CD1 3.9Å; V732-I736 VanDerWaalsContact O-CG1 3.29Å; V732-I736 WeakPolarHBondContact O-CG1 3.47Å; V732-I736 PolarHBondContact O-N 2.96Å
733	T	60.7	Low	57	Low	86 Å²	86	99.2 Å²	99.2	53%	0.528	49%	0.494	S	S	.	.	H	α-helix	trans	-65.9	-40.1	177.4	31.7	0	0	0	0	112.7	L729 L730 I736 F737	L729-T733 PolarHBondContact O-N 3.38Å; L729-T733 VanDerWaalsContact O-N 3.11Å; L729-T733 PolarHBondContact O-OG1 2.91Å; L730-T733 WeakPolarHBondContact CA-OG1 3.44Å; L730-T733 PolarHBondContact O-N 3.32Å; L730-T733 PolarHBondContact O-OG1 3.12Å; L730-T733 VanDerWaalsContact O-OG1 3.11Å; T733-I736 PolarHBondContact O-N 3.24Å; T733-F737 WeakPolarHBondContact O-CB 3.41Å; T733-F737 PolarHBondContact O-N 3.32Å
734	L	57.1	Low	56.4	Low	90 Å²	90	99.9 Å²	99.9	47%	0.471	50%	0.495	S	S	.	.	H	α-helix	trans	-63.4	-41.9	173.7	-84.8	167.1	0	0	0	112.5	L730 F737 V738	L730-L734 HydrophobicContact CD2-CD1 3.68Å; L730-L734 WeakPolarHBondContact O-CB 3.47Å; L730-L734 PolarHBondContact O-N 3.04Å; L734-F737 PolarHBondContact O-N 2.99Å; L734-V738 WeakPolarHBondContact O-CG2 3.43Å; L734-V738 PolarHBondContact O-N 3.41Å
735	C	54.7	Low	56	Low	76 Å²	76	101.2 Å²	101.2	51%	0.514	50%	0.496	S	S	.	.	H	α-helix	trans	-61.7	-44	175.2	-83.8	0	0	0	0	112	M731 V732 F737 V738 I739	M731-C735 WeakPolarHBondContact O-CB 3.49Å; M731-C735 PolarHBondContact O-N 3.24Å; V732-C735 PolarHBondContact O-N 2.94Å; C735-F737 VanDerWaalsContact C-N 3.32Å; C735-F737 PolarHBondContact O-N 2.91Å; C735-V738 PolarHBondContact O-N 2.98Å; C735-I739 WeakPolarHBondContact O-CB 3.45Å; C735-I739 VanDerWaalsContact O-CG1 3.25Å; C735-I739 WeakPolarHBondContact O-CG1 3.46Å; C735-I739 PolarHBondContact O-N 3.45Å
736	I	62.6	Low	55.3	Low	106 Å²	106	102.8 Å²	102.8	54%	0.544	50%	0.501	S	S	.	.	H	α-helix	trans	-61.4	-42.8	175.5	-67.1	166.3	0	0	0	110.2	V732 T733 I739 Y740	V732-I736 HydrophobicContact CG1-CD1 3.9Å; V732-I736 VanDerWaalsContact O-CG1 3.29Å; V732-I736 WeakPolarHBondContact O-CG1 3.47Å; V732-I736 PolarHBondContact O-N 2.96Å; T733-I736 PolarHBondContact O-N 3.24Å; I736-I739 PolarHBondContact O-N 3.47Å; I736-Y740 VanDerWaalsContact O-CB 3.24Å; I736-Y740 WeakPolarHBondContact O-CB 3.05Å; I736-Y740 PolarHBondContact O-N 3.05Å
737	F	55.6	Low	54.6	Low	134 Å²	134	105.9 Å²	105.9	59%	0.588	51%	0.512	S	S	*	.	H	α-helix	trans	-65.2	-40.9	177.8	-176.9	-97.2	0	0	0	113.1	T733 L734 C735 Y740 S741	T733-F737 WeakPolarHBondContact O-CB 3.41Å; T733-F737 PolarHBondContact O-N 3.32Å; L734-F737 PolarHBondContact O-N 2.99Å; C735-F737 VanDerWaalsContact C-N 3.32Å; C735-F737 PolarHBondContact O-N 2.91Å; F737-Y740 PolarHBondContact O-N 2.04Å; F737-S741 VanDerWaalsContact O-CB 3.32Å; F737-S741 WeakPolarHBondContact O-CB 3.42Å; F737-S741 PolarHBondContact O-N 3.12Å; F737-S741 PolarHBondContact O-OG 3.04Å
738	V	57.6	Low	53.9	Low	88 Å²	88	105.1 Å²	105.1	53%	0.533	52%	0.516	S	S	.	.	H	α-helix	trans	-67.2	-40.4	176.6	172.4	0	0	0	0	111.4	L734 C735 S741 R742	L734-V738 WeakPolarHBondContact O-CG2 3.43Å; L734-V738 PolarHBondContact O-N 3.41Å; C735-V738 PolarHBondContact O-N 2.98Å; V738-S741 VanDerWaalsContact CA-OG 3.31Å; V738-S741 WeakPolarHBondContact CA-OG 3.37Å; V738-S741 PolarHBondContact O-OG 3.08Å; V738-S741 VanDerWaalsContact O-OG 3.11Å; V738-R742 VanDerWaalsContact O-CB 3.31Å; V738-R742 WeakPolarHBondContact O-CB 3.46Å; V738-R742 PolarHBondContact O-N 3.25Å
739	I	62.1	Low	53.2	Low	118 Å²	118	107.9 Å²	107.9	61%	0.605	53%	0.532	S	S	*	.	H	α-helix	trans	-64.6	-44.5	174.5	-67.8	166.9	0	0	0	110.3	C735 I736 R743	C735-I739 WeakPolarHBondContact O-CB 3.45Å; C735-I739 VanDerWaalsContact O-CG1 3.25Å; C735-I739 WeakPolarHBondContact O-CG1 3.46Å; C735-I739 PolarHBondContact O-N 3.45Å; I736-I739 PolarHBondContact O-N 3.47Å; I739-R743 WeakPolarHBondContact O-CB 3.23Å; I739-R743 PolarHBondContact O-N 3.4Å; I739-R743 VanDerWaalsContact O-N 3.14Å
740	Y	55.9	Low	52.4	Low	143 Å²	143	113 Å²	113	56%	0.561	55%	0.546	S	S	*	.	H	α-helix	trans	-62.4	-48.7	178	-173.7	-92.6	0	0	0	111.8	I736 F737 R743 H744	I736-Y740 VanDerWaalsContact O-CB 3.24Å; I736-Y740 WeakPolarHBondContact O-CB 3.05Å; I736-Y740 PolarHBondContact O-N 3.05Å; F737-Y740 PolarHBondContact O-N 2.04Å; Y740-R743 PolarHBondContact O-N 3.32Å; Y740-H744 AromaticContact CE1-CD2 3.53Å; Y740-H744 AromaticContact CZ-CD2 3.65Å; Y740-H744 PolarHBondContact O-N 3.02Å
741	S	46.4	Very low	51.8	Low	33 Å²	33	113.8 Å²	113.8	23%	0.231	55%	0.554	C	S	.	*	H	α-helix	trans	-66.2	-38.8	179.7	51.2	0	0	0	0	112.8	F737 V738 R743 H744 I745	F737-S741 VanDerWaalsContact O-CB 3.32Å; F737-S741 WeakPolarHBondContact O-CB 3.42Å; F737-S741 PolarHBondContact O-N 3.12Å; F737-S741 PolarHBondContact O-OG 3.04Å; V738-S741 VanDerWaalsContact CA-OG 3.31Å; V738-S741 WeakPolarHBondContact CA-OG 3.37Å; V738-S741 PolarHBondContact O-OG 3.08Å; V738-S741 VanDerWaalsContact O-OG 3.11Å; S741-R743 VanDerWaalsContact C-N 3.33Å; S741-R743 PolarHBondContact O-N 3.24Å; S741-H744 PolarHBondContact O-N 3.37Å; S741-I745 WeakPolarHBondContact O-CB 3.49Å; S741-I745 VanDerWaalsContact O-CG1 3.22Å; S741-I745 WeakPolarHBondContact O-CG1 3.31Å; S741-I745 PolarHBondContact O-N 3.07Å
742	R	51.8	Low	50.7	Low	174 Å²	174	118.6 Å²	118.6	66%	0.657	57%	0.573	S	S	*	*	H	α-helix	trans	-61.3	-42.5	174	-171.2	174.6	-178.6	166.2	3	111.8	V738 H744 I745 E746	V738-R742 VanDerWaalsContact O-CB 3.31Å; V738-R742 WeakPolarHBondContact O-CB 3.46Å; V738-R742 PolarHBondContact O-N 3.25Å; R742-H744 VanDerWaalsContact C-N 3.35Å; R742-I745 PolarHBondContact O-N 2.76Å; R742-E746 IonicContact NE-OE1 3.6Å; R742-E746 PolarHBondContact O-N 3.07Å
743	R	49	Very low	49.8	Very low	184 Å²	184	127.3 Å²	127.3	69%	0.694	60%	0.599	S	S	*	*	H	α-helix	trans	-67.6	-35.5	177.5	-154.5	171.7	-179.7	172.1	-1.4	111.9	I739 Y740 S741 L747	I739-R743 WeakPolarHBondContact O-CB 3.23Å; I739-R743 PolarHBondContact O-N 3.4Å; I739-R743 VanDerWaalsContact O-N 3.14Å; Y740-R743 PolarHBondContact O-N 3.32Å; S741-R743 VanDerWaalsContact C-N 3.33Å; S741-R743 PolarHBondContact O-N 3.24Å; R743-L747 PolarHBondContact O-N 3.27Å
744	H	48	Very low	48.6	Very low	89 Å²	89	130.9 Å²	130.9	41%	0.412	61%	0.61	S	S	.	*	H	α-helix	trans	-71.6	-37.3	175.2	-126.2	-73.9	0	0	0	113	Y740 S741 R742 L747 L748	Y740-H744 AromaticContact CE1-CD2 3.53Å; Y740-H744 AromaticContact CZ-CD2 3.65Å; Y740-H744 PolarHBondContact O-N 3.02Å; S741-H744 PolarHBondContact O-N 3.37Å; R742-H744 VanDerWaalsContact C-N 3.35Å; H744-L747 PolarHBondContact O-N 3.5Å; H744-L748 WeakPolarHBondContact O-CB 3.13Å; H744-L748 WeakPolarHBondContact O-CD1 2.82Å; H744-L748 PolarHBondContact O-N 2.82Å
745	I	47.1	Very low	47.7	Very low	100 Å²	100	134 Å²	134	51%	0.513	63%	0.627	S	S	.	*	H	α-helix	trans	-69.2	-38.4	176.4	-69	164.8	0	0	0	110.9	S741 R742 L747 L748 M749	S741-I745 WeakPolarHBondContact O-CB 3.49Å; S741-I745 VanDerWaalsContact O-CG1 3.22Å; S741-I745 WeakPolarHBondContact O-CG1 3.31Å; S741-I745 PolarHBondContact O-N 3.07Å; R742-I745 PolarHBondContact O-N 2.76Å; I745-L747 VanDerWaalsContact C-N 3.31Å; I745-L747 PolarHBondContact O-N 3.38Å; I745-L748 PolarHBondContact O-N 2.97Å; I745-M749 HydrophobicContact CG2-CG 4.23Å; I745-M749 WeakPolarHBondContact O-CB 3.23Å; I745-M749 WeakPolarHBondContact O-CG 3.13Å; I745-M749 PolarHBondContact O-N 3.31Å
746	E	46.7	Very low	47	Very low	114 Å²	114	136.5 Å²	136.5	53%	0.533	63%	0.634	S	S	.	*	H	α-helix	trans	-64	-34.5	172.8	-78.4	176.2	-175.1	0	0	112.3	R742 Y750	R742-E746 IonicContact NE-OE1 3.6Å; R742-E746 PolarHBondContact O-N 3.07Å; E746-Y750 WeakPolarHBondContact O-CD2 3.45Å
747	L	46.3	Very low	46.2	Very low	128 Å²	128	136.1 Å²	136.1	67%	0.67	64%	0.638	S	S	*	*	H	α-helix	trans	-74.1	-32.9	174.4	-94.1	147.9	0	0	0	113.5	R743 H744 I745	R743-L747 PolarHBondContact O-N 3.27Å; H744-L747 PolarHBondContact O-N 3.5Å; I745-L747 VanDerWaalsContact C-N 3.31Å; I745-L747 PolarHBondContact O-N 3.38Å
748	L	42.8	Very low	45.6	Very low	111 Å²	111	136.5 Å²	136.5	58%	0.581	65%	0.646	S	S	*	*	H	α-helix	trans	-80.8	-25.8	179.4	-86.7	154	0	0	0	113.8	H744 I745 Y750 T751	H744-L748 WeakPolarHBondContact O-CB 3.13Å; H744-L748 WeakPolarHBondContact O-CD1 2.82Å; H744-L748 PolarHBondContact O-N 2.82Å; I745-L748 PolarHBondContact O-N 2.97Å; L748-Y750 VanDerWaalsContact C-N 3.26Å; L748-Y750 PolarHBondContact O-N 3.42Å; L748-T751 PolarHBondContact O-N 3.25Å; L748-T751 PolarHBondContact O-OG1 3.43Å
749	M	41	Very low	45	Very low	160 Å²	160	141.2 Å²	141.2	79%	0.788	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	-12.9	179	-76.6	-100.5	-94.1	0	0	114	I745	I745-M749 HydrophobicContact CG2-CG 4.23Å; I745-M749 WeakPolarHBondContact O-CB 3.23Å; I745-M749 WeakPolarHBondContact O-CG 3.13Å; I745-M749 PolarHBondContact O-N 3.31Å
750	Y	41.9	Very low	44.5	Very low	213 Å²	213	139.8 Å²	139.8	84%	0.835	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	-9.4	177.1	-88.6	-82.6	0	0	0	114.6	E746 L748	E746-Y750 WeakPolarHBondContact O-CD2 3.45Å; L748-Y750 VanDerWaalsContact C-N 3.26Å; L748-Y750 PolarHBondContact O-N 3.42Å
751	T	43.8	Very low	44.2	Very low	99 Å²	99	135.8 Å²	135.8	61%	0.607	64%	0.642	S	S	*	*			trans	-105.3	91.4	178.7	52	0	0	0	0	110.8	L748 W753	L748-T751 PolarHBondContact O-N 3.25Å; L748-T751 PolarHBondContact O-OG1 3.43Å; T751-W753 PolarHBondContact O-N 2.93Å
752	K	33.6	Very low	44.8	Very low	182 Å²	182	138.3 Å²	138.3	79%	0.791	66%	0.656	S	S	*	*			trans	-81.8	96.1	-175.7	-168.3	-173.2	-168.9	-175.7	0	111.6
753	W	40.7	Very low	45.3	Very low	246 Å²	246	136 Å²	136	93%	0.932	65%	0.651	S	S	*	*			trans	-142.1	105.3	163.8	-75.8	88	0	0	0	111.3	T751	T751-W753 PolarHBondContact O-N 2.93Å
754	E	36.5	Very low	45.6	Very low	161 Å²	161	132.7 Å²	132.7	75%	0.752	65%	0.646	S	S	*	*			trans	-69.2	146.4	168.4	-71.2	168.6	147.3	0	0	110.4
755	N	38.3	Very low	45.8	Very low	154 Å²	154	132.4 Å²	132.4	82%	0.824	65%	0.653	S	S	*	*			trans	79.2	52.7	158.7	-57.9	-23.1	0	0	0	120.2
756	I	40.1	Very low	46.4	Very low	129 Å²	129	135.8 Å²	135.8	66%	0.662	66%	0.66	S	S	*	*			trans	-129.4	122.8	157.5	-54.5	176.4	0	0	0	109.6	D760	I756-D760 HydrophobicContact CG2-CB 4.08Å
757	P	45.4	Very low	47.1	Very low	98 Å²	98	134.7 Å²	134.7	64%	0.636	66%	0.658	S	S	*	*			trans	-64.6	139.3	-179.8	24.7	-31	0	0	0	111.5	Y759 D760	P757-Y759 PolarHBondContact O-N 3.39Å; P757-D760 PolarHBondContact O-N 3.34Å
758	L	42.3	Very low	47.5	Very low	142 Å²	142	133.8 Å²	133.8	74%	0.743	65%	0.654	S	S	*	*	H	α-helix	trans	-44.1	-20.9	-170	-146	100	0	0	0	116.8	S761 V762	L758-S761 WeakPolarHBondContact CA-OG 3.46Å; L758-S761 PolarHBondContact O-OG 3.47Å; L758-V762 WeakPolarHBondContact O-CG2 3.22Å; L758-V762 PolarHBondContact O-N 2.99Å
759	Y	46.1	Very low	48.2	Very low	187 Å²	187	135 Å²	135	73%	0.733	66%	0.66	S	S	*	*	H	α-helix	trans	-67.9	-40.8	-177.7	-169.4	-100.7	0	0	0	112.7	P757 K763	P757-Y759 PolarHBondContact O-N 3.39Å; Y759-K763 PolarHBondContact O-N 3.02Å
760	D	51.5	Low	49	Very low	88 Å²	88	134.6 Å²	134.6	47%	0.471	66%	0.656	S	S	.	*	H	α-helix	trans	-77.7	-27.7	-179.3	-71.5	-31	0	0	0	112.4	I756 P757 K763 L764	I756-D760 HydrophobicContact CG2-CB 4.08Å; P757-D760 PolarHBondContact O-N 3.34Å; D760-K763 PolarHBondContact O-N 2.87Å; D760-L764 WeakPolarHBondContact O-CB 3.49Å; D760-L764 PolarHBondContact O-N 3.43Å
761	S	49.8	Very low	49.4	Very low	59 Å²	59	134.6 Å²	134.6	41%	0.413	66%	0.656	S	S	.	*	H	α-helix	trans	-69.9	-35.2	173	48.6	0	0	0	0	113.1	L758 C765	L758-S761 WeakPolarHBondContact CA-OG 3.46Å; L758-S761 PolarHBondContact O-OG 3.47Å; S761-C765 PolarHBondContact O-N 3.14Å
762	V	58.8	Low	49.2	Very low	87 Å²	87	139.6 Å²	139.6	53%	0.527	68%	0.679	S	S	.	*	H	α-helix	trans	-70.8	-37.3	175.1	174	0	0	0	0	110.4	L758 C765 Y766	L758-V762 WeakPolarHBondContact O-CG2 3.22Å; L758-V762 PolarHBondContact O-N 2.99Å; V762-C765 PolarHBondContact O-N 3.03Å; V762-Y766 WeakPolarHBondContact O-CB 3.42Å; V762-Y766 PolarHBondContact O-N 3.37Å
763	K	61.5	Low	50	Low	125 Å²	125	137.5 Å²	137.5	54%	0.543	67%	0.673	S	S	.	*	H	α-helix	trans	-66.8	-37	175	-164.9	172.4	-177.6	178.3	0	112.7	Y759 D760 Y766 N767	Y759-K763 PolarHBondContact O-N 3.02Å; D760-K763 PolarHBondContact O-N 2.87Å; K763-Y766 PolarHBondContact O-N 2.66Å; K763-N767 PolarHBondContact O-N 3.38Å; K763-N767 VanDerWaalsContact O-N 3.1Å
764	L	54.8	Low	50.5	Low	115 Å²	115	131.7 Å²	131.7	60%	0.602	66%	0.66	S	S	*	*	H	α-helix	trans	-68.7	-40.3	174.3	-153.6	94.9	0	0	0	112	D760 Y766 N767 L768	D760-L764 WeakPolarHBondContact O-CB 3.49Å; D760-L764 PolarHBondContact O-N 3.43Å; L764-Y766 VanDerWaalsContact C-N 3.34Å; L764-N767 PolarHBondContact O-N 3.04Å; L764-L768 HydrophobicContact CD2-CD1 4.2Å; L764-L768 HydrophobicContact CG-CD1 4.3Å; L764-L768 WeakPolarHBondContact O-CB 3.09Å; L764-L768 PolarHBondContact O-N 3.12Å; L764-L768 VanDerWaalsContact O-N 3.1Å
765	C	52.8	Low	51.2	Low	82 Å²	82	130.1 Å²	130.1	55%	0.554	66%	0.655	S	S	*	*	H	α-helix	trans	-64.2	-36.5	173.1	-92.8	0	0	0	0	112.7	S761 V762 L768 L769	S761-C765 PolarHBondContact O-N 3.14Å; V762-C765 PolarHBondContact O-N 3.03Å; C765-L768 PolarHBondContact O-N 3.48Å; C765-L769 PolarHBondContact O-N 3.13Å; C765-L769 VanDerWaalsContact O-N 3.17Å
766	Y	59.7	Low	52	Low	171 Å²	171	128.7 Å²	128.7	67%	0.671	65%	0.645	S	S	*	*	H	α-helix	trans	-67.4	-42.8	176.9	-140.9	-90.2	0	0	0	111.6	V762 K763 L764 L768 L769 E770	V762-Y766 WeakPolarHBondContact O-CB 3.42Å; V762-Y766 PolarHBondContact O-N 3.37Å; K763-Y766 PolarHBondContact O-N 2.66Å; L764-Y766 VanDerWaalsContact C-N 3.34Å; Y766-L768 VanDerWaalsContact C-N 3.32Å; Y766-L768 PolarHBondContact O-N 3.26Å; Y766-L769 PolarHBondContact O-N 3.43Å; Y766-E770 PolarHBondContact O-N 3.36Å
767	N	62	Low	52.7	Low	91 Å²	91	128.7 Å²	128.7	49%	0.487	64%	0.644	S	S	.	*	H	α-helix	trans	-70.7	-23.7	177.8	-71.2	0.3	0	0	0	113.8	K763 L764	K763-N767 PolarHBondContact O-N 3.38Å; K763-N767 VanDerWaalsContact O-N 3.1Å; L764-N767 PolarHBondContact O-N 3.04Å
768	L	54.8	Low	53.2	Low	110 Å²	110	130.7 Å²	130.7	58%	0.576	64%	0.644	S	S	*	*	H	α-helix	trans	-84.5	-22.3	175.9	-89.8	154.2	0	0	0	113.3	L764 C765 Y766	L764-L768 HydrophobicContact CD2-CD1 4.2Å; L764-L768 HydrophobicContact CG-CD1 4.3Å; L764-L768 WeakPolarHBondContact O-CB 3.09Å; L764-L768 PolarHBondContact O-N 3.12Å; L764-L768 VanDerWaalsContact O-N 3.1Å; C765-L768 PolarHBondContact O-N 3.48Å; Y766-L768 VanDerWaalsContact C-N 3.32Å; Y766-L768 PolarHBondContact O-N 3.26Å
769	L	57.2	Low	54	Low	136 Å²	136	129.9 Å²	129.9	71%	0.712	64%	0.637	S	S	*	*	H	α-helix	trans	-82.3	-16.3	171.5	-94.4	152.7	0	0	0	113.1	C765 Y766	C765-L769 PolarHBondContact O-N 3.13Å; C765-L769 VanDerWaalsContact O-N 3.17Å; Y766-L769 PolarHBondContact O-N 3.43Å
770	E	57.1	Low	54.6	Low	151 Å²	151	125.5 Å²	125.5	71%	0.706	63%	0.63	S	S	*	*	S	Bend	trans	-86.9	-5.7	175.7	-157.5	173.6	-177.3	0	0	112.7	Y766	Y766-E770 PolarHBondContact O-N 3.36Å
771	Y	50.9	Low	54.9	Low	213 Å²	213	128.7 Å²	128.7	84%	0.835	64%	0.643	S	S	*	*			trans	-112.9	1.2	-177.3	-108.7	-86.8	0	0	0	115.1
772	N	39.2	Very low	55.3	Low	204 Å²	204	135 Å²	135	100%	1.091	66%	0.664	S	S	*	*			trans	-126.1	0	171.8	-84.2	-25.5	0	0	0	109.4

Retrieved 772 of 772 residues in 1139.9 ms (Link to these results)

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