A0A5K4F3G0_SCHMA Loading...

DUF4456 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F3G0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 418 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	36.6	Very low	29.5	Very low	250 Å²	250	165.2 Å²	165.2	100%	1.232	89%	0.886	S	S	*	*				0	149.2	0	-71.6	161.8	169.7	0	0	109
2	K	25.7	Very low	29.6	Very low	202 Å²	202	161 Å²	161	88%	0.878	88%	0.879	S	S	*	*			trans	-135.2	139.7	171.9	-78.7	-177.4	175.5	178.9	0	107.9
3	L	30.4	Very low	29.7	Very low	176 Å²	176	163.5 Å²	163.5	92%	0.921	88%	0.876	S	S	*	*			trans	-141.3	118.3	161.8	-81	175.8	0	0	0	109.2
4	N	26.9	Very low	29.4	Very low	169 Å²	169	160.9 Å²	160.9	90%	0.904	87%	0.873	S	S	*	*			trans	-112.6	131.3	166.2	-84.7	4.8	0	0	0	107.6
5	A	33.2	Very low	29.5	Very low	95 Å²	95	161.9 Å²	161.9	79%	0.785	87%	0.874	S	S	*	*			trans	-172.9	150.5	160.6	0	0	0	0	0	108.9
6	S	32.6	Very low	29.3	Very low	117 Å²	117	158.3 Å²	158.3	82%	0.818	87%	0.865	S	S	*	*			cis	-161.1	160.1	-20.6	-96.2	0	0	0	0	108.5
7	N	27.4	Very low	29.3	Very low	159 Å²	159	156 Å²	156	85%	0.85	86%	0.857	S	S	*	*			trans	-68.6	154.7	178.9	-63.1	-44.2	0	0	0	113
8	L	28.9	Very low	29.3	Very low	165 Å²	165	158.5 Å²	158.5	86%	0.864	86%	0.858	S	S	*	*			trans	-143.6	125.1	141.1	-147	78.3	0	0	0	110.8
9	M	26.2	Very low	29.1	Very low	170 Å²	170	162.7 Å²	162.7	84%	0.837	86%	0.86	S	S	*	*			trans	-103.2	147	168.5	-84.5	-169.7	168.9	0	0	109.9
10	Q	31	Very low	29.2	Very low	187 Å²	187	164.9 Å²	164.9	87%	0.874	87%	0.865	S	S	*	*			trans	-138.3	147	153.1	-77.4	-166.7	-16.7	0	0	110.2
11	T	25.1	Very low	29.2	Very low	127 Å²	127	160.6 Å²	160.6	78%	0.779	86%	0.861	S	S	*	*			trans	-140.2	131.9	-169.6	48.7	0	0	0	0	112
12	S	31.5	Very low	28.5	Very low	115 Å²	115	154.9 Å²	154.9	80%	0.804	84%	0.844	S	S	*	*			trans	176.5	148.1	165.8	41.5	0	0	0	0	108.7
13	K	30.7	Very low	28.6	Very low	193 Å²	193	157.4 Å²	157.4	84%	0.839	85%	0.848	S	S	*	*			cis	-149.3	150.4	-14.6	-99.3	166.9	-177	176.5	0	106.7
14	P	25.9	Very low	28.3	Very low	128 Å²	128	158.1 Å²	158.1	83%	0.831	84%	0.844	S	S	*	*			trans	-88.2	151.5	174.5	35	-33.8	0	0	0	112.9
15	I	31.1	Very low	28.2	Very low	175 Å²	175	156.5 Å²	156.5	90%	0.897	84%	0.84	S	S	*	*			trans	-132.1	154.6	166.4	-62.5	-177.7	0	0	0	108
16	S	26.4	Very low	27.8	Very low	104 Å²	104	156.6 Å²	156.6	73%	0.727	84%	0.835	S	S	*	*			trans	-143.4	-179.7	-158.8	-174.9	0	0	0	0	112.9
17	V	27.7	Very low	27.5	Very low	120 Å²	120	158.5 Å²	158.5	73%	0.727	84%	0.835	S	S	*	*			trans	79.6	137.9	169.2	-168	0	0	0	0	113.1
18	K	29.6	Very low	27.5	Very low	201 Å²	201	157 Å²	157	87%	0.874	83%	0.832	S	S	*	*			cis	-143.1	170.5	21.5	-139	148	-159.7	174.2	0	113.1
19	R	25.3	Very low	27.3	Very low	238 Å²	238	155.1 Å²	155.1	90%	0.898	83%	0.828	S	S	*	*			trans	-114.5	146.3	173.7	-71.9	178.5	171.8	179.3	-2.8	112.2
20	Q	31	Very low	27.2	Very low	206 Å²	206	157.2 Å²	157.2	96%	0.963	83%	0.833	S	S	*	*			trans	177.3	150.2	148.7	-100.9	161.9	-0.5	0	0	108.1
21	G	29.2	Very low	27	Very low	75 Å²	75	151.9 Å²	151.9	77%	0.773	83%	0.827	S	S	*	*			cis	-175.6	150.5	-8.3	0	0	0	0	0	110.1
22	C	22.8	Very low	27	Very low	131 Å²	131	151.9 Å²	151.9	89%	0.885	83%	0.827	S	S	*	*			trans	-91.6	151.7	-169.6	-51.8	0	0	0	0	114.9
23	R	27.5	Very low	26.9	Very low	254 Å²	254	152.5 Å²	152.5	96%	0.958	83%	0.828	S	S	*	*			trans	-156.2	167.4	146.4	-111.5	167.4	-170.8	-162.4	-0	112.1
24	K	25	Very low	26.5	Very low	191 Å²	191	154.1 Å²	154.1	83%	0.83	83%	0.831	S	S	*	*			trans	-117.4	177.3	-167.3	-73.7	-174.8	172.6	-176.5	0	112.5
25	T	24.7	Very low	26.7	Very low	135 Å²	135	152.9 Å²	152.9	83%	0.828	83%	0.825	S	S	*	*			trans	68.2	147.7	159.2	41.1	0	0	0	0	116.5
26	S	23.4	Very low	26.5	Very low	98 Å²	98	152.5 Å²	152.5	69%	0.685	82%	0.82	S	S	*	*			cis	-173.2	161.7	-6.1	42.4	0	0	0	0	109.6
27	L	26.5	Very low	26.7	Very low	156 Å²	156	155.2 Å²	155.2	82%	0.817	83%	0.826	S	S	*	*			trans	168.3	115.2	148.5	-109.6	73.4	0	0	0	107.7
28	T	28.2	Very low	26.7	Very low	128 Å²	128	152.6 Å²	152.6	79%	0.785	82%	0.824	S	S	*	*				72.9	126.6	84.8	63.5	0	0	0	0	117.9
29	T	24	Very low	26.5	Very low	125 Å²	125	150.5 Å²	150.5	77%	0.767	82%	0.822	S	S	*	*			trans	-75.7	155.5	177	-33.8	0	0	0	0	113.8
30	F	25	Very low	26.6	Very low	215 Å²	215	148.4 Å²	148.4	94%	0.943	82%	0.822	S	S	*	*				167.1	149.5	127.6	-98.3	-70.9	0	0	0	112.6
31	G	27.5	Very low	26.2	Very low	74 Å²	74	147.4 Å²	147.4	76%	0.763	82%	0.82	S	S	*	*			trans	121	114.4	159.5	0	0	0	0	0	118.1
32	V	25.1	Very low	26.2	Very low	127 Å²	127	149.9 Å²	149.9	77%	0.77	83%	0.826	S	S	*	*			trans	-146.8	148.4	162.6	-158.6	0	0	0	0	107.1
33	P	28.6	Very low	26.3	Very low	128 Å²	128	150.9 Å²	150.9	83%	0.831	82%	0.822	S	S	*	*				-146.9	176.9	115.3	36.2	-18.9	0	0	0	115.2
34	Y	22.5	Very low	26.6	Very low	227 Å²	227	144.4 Å²	144.4	89%	0.89	81%	0.813	S	S	*	*			trans	-100.9	162.1	-177	-105.2	-105.5	0	0	0	113.6
35	S	30.3	Very low	26.7	Very low	103 Å²	103	138.9 Å²	138.9	72%	0.72	81%	0.81	S	S	*	*			trans	-167.7	150.4	153.2	-179	0	0	0	0	107.7
36	Q	26.2	Very low	26.7	Very low	166 Å²	166	137.6 Å²	137.6	78%	0.776	81%	0.813	S	S	*	*			cis	164.4	162.5	-28.8	-120.7	-171.9	-16.9	0	0	105
37	N	30.9	Very low	26.6	Very low	161 Å²	161	141.9 Å²	141.9	86%	0.861	82%	0.82	S	S	*	*			trans	73.8	140.1	-178.2	-44.7	-26.8	0	0	0	115.3
38	G	26.8	Very low	26.6	Very low	66 Å²	66	141.5 Å²	141.5	68%	0.68	82%	0.824	S	S	*	*			cis	-177.5	147.4	-8.3	0	0	0	0	0	113.5
39	D	26.9	Very low	26.3	Very low	156 Å²	156	140.3 Å²	140.3	83%	0.834	82%	0.82	S	S	*	*			trans	25.6	124.9	158.4	-46.7	-30.5	0	0	0	122.3
40	Q	27.2	Very low	26.4	Very low	195 Å²	195	140.1 Å²	140.1	91%	0.911	82%	0.824	S	S	*	*				-179.4	156.7	97.2	-92.5	-177.1	15.7	0	0	112.7
41	M	22.9	Very low	26.4	Very low	185 Å²	185	137.1 Å²	137.1	91%	0.911	82%	0.817	S	S	*	*			trans	-123.2	143.2	179.9	-59.2	171	78.5	0	0	111.7
42	S	29.3	Very low	26.3	Very low	127 Å²	127	142.1 Å²	142.1	89%	0.888	82%	0.821	S	S	*	*			trans	-174.9	162.2	140.9	26.6	0	0	0	0	112.3
43	N	24.4	Very low	26.3	Very low	152 Å²	152	141 Å²	141	81%	0.813	82%	0.819	S	S	*	*			trans	-162.6	-173	-167.3	-157.8	20.3	0	0	0	107.8
44	P	33	Very low	26.1	Very low	117 Å²	117	140.4 Å²	140.4	76%	0.76	82%	0.818	S	S	*	*				-109	-170.8	-55.4	29	-10.1	0	0	0	112.4
45	G	26.6	Very low	26.3	Very low	75 Å²	75	134.1 Å²	134.1	77%	0.773	81%	0.807	S	S	*	*			trans	-164.3	97.9	171.4	0	0	0	0	0	118.8
46	A	25.7	Very low	26.1	Very low	108 Å²	108	136.3 Å²	136.3	89%	0.893	81%	0.81	S	S	*	*			trans	39.8	143.9	150	0	0	0	0	0	124.8
47	F	21.9	Very low	26.1	Very low	189 Å²	189	136.2 Å²	136.2	83%	0.829	82%	0.815	S	S	*	*			trans	-101.8	160.3	170	-99	-109.1	0	0	0	112.2
48	T	26.4	Very low	25.9	Very low	147 Å²	147	136.6 Å²	136.6	90%	0.902	82%	0.817	S	S	*	*			trans	-163	160.4	134.2	18.4	0	0	0	0	111.8
49	C	21.4	Very low	25.8	Very low	104 Å²	104	138.5 Å²	138.5	70%	0.703	82%	0.817	S	S	*	*			trans	-123.6	160.9	-174.6	-54.1	0	0	0	0	112.5
50	S	26.1	Very low	25.7	Very low	121 Å²	121	138.4 Å²	138.4	85%	0.846	82%	0.816	S	S	*	*			trans	-161.2	156.2	158.6	-71.3	0	0	0	0	109.5
51	D	24.2	Very low	25.7	Very low	152 Å²	152	137.2 Å²	137.2	81%	0.813	82%	0.815	S	S	*	*			trans	-104.1	155.9	-159.4	-54.6	-86.8	0	0	0	115.3
52	E	25.7	Very low	25.7	Very low	179 Å²	179	135.2 Å²	135.2	84%	0.836	81%	0.807	S	S	*	*				155.8	117.6	113.6	-79.5	-144.9	139.1	0	0	114.8
53	S	24.9	Very low	25.5	Very low	103 Å²	103	138.9 Å²	138.9	72%	0.72	81%	0.807	S	S	*	*			trans	74.1	144.6	143.8	82.5	0	0	0	0	122.5
54	S	25.6	Very low	25.5	Very low	116 Å²	116	136.6 Å²	136.6	81%	0.811	80%	0.803	S	S	*	*			trans	74.6	160.8	164.2	79	0	0	0	0	119.3
55	S	25.3	Very low	25.1	Very low	95 Å²	95	139.4 Å²	139.4	66%	0.664	81%	0.806	S	S	*	*	S	Bend	trans	-51.2	157.7	-166.6	42.4	0	0	0	0	118.5
56	D	26.4	Very low	25	Very low	148 Å²	148	147 Å²	147	79%	0.791	81%	0.812	S	S	*	*			trans	61.6	67.8	156	-57.2	-28.9	0	0	0	117.9
57	N	26.1	Very low	25	Very low	165 Å²	165	145.9 Å²	145.9	88%	0.882	79%	0.794	S	S	*	*			trans	-160.8	111.3	147.3	-95.4	-57.8	0	0	0	112
58	L	26.2	Very low	25.2	Very low	169 Å²	169	141.2 Å²	141.2	89%	0.885	78%	0.783	S	S	*	*			trans	-85.9	142.1	162.7	-102.3	153.8	0	0	0	108.8
59	P	25.5	Very low	25.2	Very low	106 Å²	106	139.2 Å²	139.2	69%	0.688	77%	0.767	S	S	*	*			trans	-67.2	143.6	-162.8	-24	34.7	0	0	0	115.4	L61	P59-L61 VanDerWaalsContact C-N 3.33Å; P59-L61 PolarHBondContact O-N 2.79Å
60	N	24.2	Very low	25.4	Very low	153 Å²	153	138 Å²	138	82%	0.818	76%	0.756	S	S	*	*			trans	-66.7	87.3	165.5	-90.1	-49.7	0	0	0	110.7	L62	N60-L62 VanDerWaalsContact C-N 3.29Å; N60-L62 PolarHBondContact O-N 2.79Å
61	L	27.7	Very low	25.4	Very low	171 Å²	171	134.5 Å²	134.5	90%	0.895	73%	0.729	S	S	*	*			trans	-70.3	84.6	170.9	-84.3	165.9	0	0	0	110.7	P59 K63	P59-L61 VanDerWaalsContact C-N 3.33Å; P59-L61 PolarHBondContact O-N 2.79Å; L61-K63 PolarHBondContact O-N 2.78Å; L61-K63 VanDerWaalsContact O-N 3.09Å
62	L	24.1	Very low	25.5	Very low	142 Å²	142	130.6 Å²	130.6	74%	0.743	70%	0.703	S	S	*	*			trans	-68.7	99.7	178.2	-83.6	164.7	0	0	0	112.1	N60 S64	N60-L62 VanDerWaalsContact C-N 3.29Å; N60-L62 PolarHBondContact O-N 2.79Å; L62-S64 PolarHBondContact O-N 2.83Å
63	K	25.2	Very low	25.5	Very low	204 Å²	204	124.6 Å²	124.6	89%	0.887	68%	0.679	S	S	*	*	S	Bend	trans	48.7	66.3	147.2	-59.9	-178.5	179	177.1	0	117.1	L61	L61-K63 PolarHBondContact O-N 2.78Å; L61-K63 VanDerWaalsContact O-N 3.09Å
64	S	23.6	Very low	25.5	Very low	104 Å²	104	128.2 Å²	128.2	73%	0.727	68%	0.678	S	S	*	*			trans	-140.5	147.8	149.3	61.6	0	0	0	0	112.7	L62	L62-S64 PolarHBondContact O-N 2.83Å
65	E	25.1	Very low	25.6	Very low	177 Å²	177	126.9 Å²	126.9	83%	0.827	67%	0.665	S	S	*	*			trans	42.6	78.7	155.9	-59.4	-173.6	134.5	0	0	118.7	T67	E65-T67 PolarHBondContact O-N 3.23Å
66	R	24.7	Very low	25.9	Very low	233 Å²	233	125.1 Å²	125.1	88%	0.879	65%	0.648	S	S	*	*			trans	-52.5	122.7	160.3	-62.6	173.9	178	162.2	-4.6	110.3
67	T	25.1	Very low	26.1	Very low	85 Å²	85	122.5 Å²	122.5	52%	0.521	63%	0.634	S	S	.	*			trans	-135.5	149.2	174.5	48.6	0	0	0	0	112.2	E65 N69	E65-T67 PolarHBondContact O-N 3.23Å; T67-N69 PolarHBondContact O-N 2.9Å
68	P	26.8	Very low	26.3	Very low	91 Å²	91	121.7 Å²	121.7	59%	0.591	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	14.9	-163.8	-16.9	33.5	0	0	0	116.5
69	N	26.2	Very low	26.5	Very low	106 Å²	106	117.3 Å²	117.3	57%	0.567	60%	0.597	S	S	*	*	H	α-helix	trans	-86	-20.8	-161.3	-73.9	-34.2	0	0	0	115.3	T67 T73	T67-N69 PolarHBondContact O-N 2.9Å; N69-T73 WeakPolarHBondContact O-CG2 3.43Å; N69-T73 PolarHBondContact O-N 2.92Å; N69-T73 PolarHBondContact O-OG1 3.19Å; N69-T73 VanDerWaalsContact O-OG1 3.13Å
70	V	25.6	Very low	26.9	Very low	78 Å²	78	116.3 Å²	116.3	47%	0.473	58%	0.582	S	S	.	*	H	α-helix	trans	-95	-21.4	-159.9	160.9	0	0	0	0	115.1	T73 Y74 N226	V70-T73 WeakPolarHBondContact CA-OG1 3.49Å; V70-T73 PolarHBondContact O-OG1 2.86Å; V70-Y74 PolarHBondContact O-N 3.49Å; V70-N226 WeakPolarHBondContact CB-OD1 3.18Å; V70-N226 HydrophobicContact CG1-CB 4.1Å; V70-N226 WeakPolarHBondContact CG1-OD1 3.37Å
71	V	25.9	Very low	27.1	Very low	48 Å²	48	111.7 Å²	111.7	29%	0.291	57%	0.565	S	S	.	*	H	α-helix	trans	-70.8	-43.9	167	-178.4	0	0	0	0	111.4	Y74 D225 N226	V71-Y74 PolarHBondContact O-N 3.32Å; V71-D225 WeakPolarHBondContact CG2-O 3.43Å; V71-N226 PolarHBondContact N-OD1 2.84Å
72	Y	25.6	Very low	27.1	Very low	69 Å²	69	105.3 Å²	105.3	27%	0.271	53%	0.534	S	S	.	.	H	α-helix	trans	-59.9	-47.9	175.7	-89	-81.1	0	0	0	110.7	Y74 T75 D76 H187 L190	Y72-Y74 VanDerWaalsContact C-N 3.28Å; Y72-Y74 PolarHBondContact O-N 3.03Å; Y72-T75 PolarHBondContact O-N 3.42Å; Y72-D76 WeakPolarHBondContact O-CB 3.47Å; Y72-D76 PolarHBondContact O-N 3.24Å; Y72-H187 AromaticContact CD1-CE1 3.72Å; Y72-H187 AromaticContact CE1-CE1 3.32Å; Y72-H187 WeakPolarHBondContact CE1-CE1 3.38Å; Y72-H187 AromaticContact CE1-ND1 3.19Å; Y72-H187 WeakPolarHBondContact CE1-ND1 3.49Å; Y72-H187 AromaticContact CE2-CE1 3.81Å; Y72-H187 AromaticContact CE2-ND1 3.99Å; Y72-H187 AromaticContact CZ-CE1 3.37Å; Y72-H187 AromaticContact CZ-ND1 3.16Å; Y72-H187 PolarHBondContact OH-ND1 3.49Å; Y72-L190 HydrophobicContact CE1-CD2 4.21Å; Y72-L190 WeakPolarHBondContact OH-CD2 3.46Å
73	T	26.2	Very low	27.5	Very low	53 Å²	53	101.5 Å²	101.5	33%	0.325	51%	0.513	S	S	.	.	H	α-helix	trans	-64.7	-22.4	177.2	52.2	0	0	0	0	114	N69 V70 N77	N69-T73 WeakPolarHBondContact O-CG2 3.43Å; N69-T73 PolarHBondContact O-N 2.92Å; N69-T73 PolarHBondContact O-OG1 3.19Å; N69-T73 VanDerWaalsContact O-OG1 3.13Å; V70-T73 WeakPolarHBondContact CA-OG1 3.49Å; V70-T73 PolarHBondContact O-OG1 2.86Å; T73-N77 WeakPolarHBondContact O-CA 3.42Å; T73-N77 WeakPolarHBondContact O-CB 3.36Å; T73-N77 PolarHBondContact O-N 3.01Å; T73-N77 PolarHBondContact O-ND2 3.15Å; T73-N77 VanDerWaalsContact O-ND2 3.08Å
74	Y	25.4	Very low	28	Very low	180 Å²	180	93.1 Å²	93.1	71%	0.706	48%	0.48	S	S	*	.	H	α-helix	trans	-69.5	-46.8	174.8	-163.4	-89.2	0	0	0	112.7	V70 V71 Y72 Y78	V70-Y74 PolarHBondContact O-N 3.49Å; V71-Y74 PolarHBondContact O-N 3.32Å; Y72-Y74 VanDerWaalsContact C-N 3.28Å; Y72-Y74 PolarHBondContact O-N 3.03Å; Y74-Y78 PolarHBondContact O-N 3.47Å
75	T	27.7	Very low	28.7	Very low	87 Å²	87	93.2 Å²	93.2	53%	0.534	47%	0.473	S	S	.	.	H	α-helix	trans	-75.2	-38.2	-179.7	-51.3	0	0	0	0	111.4	Y72 Y78 L79	Y72-T75 PolarHBondContact O-N 3.42Å; T75-Y78 PolarHBondContact O-N 2.76Å; T75-L79 PolarHBondContact O-N 2.78Å
76	D	31	Very low	29.4	Very low	59 Å²	59	86.3 Å²	86.3	32%	0.316	44%	0.443	S	S	.	.	H	α-helix	trans	-65.5	-39.5	172.3	-176.2	40.5	0	0	0	111	Y72 L79 K80	Y72-D76 WeakPolarHBondContact O-CB 3.47Å; Y72-D76 PolarHBondContact O-N 3.24Å; D76-L79 PolarHBondContact O-N 3.07Å; D76-K80 WeakPolarHBondContact O-CA 3.4Å; D76-K80 WeakPolarHBondContact O-CB 3.14Å; D76-K80 WeakPolarHBondContact O-CG 3.47Å; D76-K80 PolarHBondContact O-N 3.04Å; D76-K80 WeakPolarHBondContact OD1-CD 3.4Å; D76-K80 WeakPolarHBondContact OD1-CE 3.49Å; D76-K80 IonicContact OD1-NZ 2.7Å; D76-K80 PolarHBondContact OD1-NZ 3.28Å; D76-K80 VanDerWaalsContact OD2-CE 3.3Å; D76-K80 WeakPolarHBondContact OD2-CE 3.38Å; D76-K80 IonicContact OD2-NZ 2.61Å; D76-K80 PolarHBondContact OD2-NZ 3.34Å
77	N	30.8	Very low	30	Very low	93 Å²	93	77.3 Å²	77.3	50%	0.497	41%	0.41	S	S	.	.	H	α-helix	trans	-69.2	-31.1	172.5	-71.6	-20.5	0	0	0	112.7	T73 A81	T73-N77 WeakPolarHBondContact O-CA 3.42Å; T73-N77 WeakPolarHBondContact O-CB 3.36Å; T73-N77 PolarHBondContact O-N 3.01Å; T73-N77 PolarHBondContact O-ND2 3.15Å; T73-N77 VanDerWaalsContact O-ND2 3.08Å; N77-A81 WeakPolarHBondContact O-CA 3.48Å; N77-A81 WeakPolarHBondContact O-CB 3.13Å; N77-A81 PolarHBondContact O-N 3.13Å
78	Y	29.2	Very low	30.9	Very low	148 Å²	148	80.2 Å²	80.2	58%	0.58	42%	0.416	S	S	*	.	H	α-helix	trans	-70.8	-45	174.3	-174.7	-92.5	0	0	0	111.5	Y74 T75 A81 C82	Y74-Y78 PolarHBondContact O-N 3.47Å; T75-Y78 PolarHBondContact O-N 2.76Å; Y78-A81 PolarHBondContact O-N 3.41Å; Y78-C82 VanDerWaalsContact CE1-SG 3.59Å; Y78-C82 WeakPolarHBondContact O-CB 3.26Å; Y78-C82 PolarHBondContact O-N 3.05Å; Y78-C82 PolarHBondContact O-SG 3.43Å; Y78-C82 VanDerWaalsContact O-SG 3.39Å
79	L	30.9	Very low	31.7	Very low	77 Å²	77	81.9 Å²	81.9	40%	0.403	41%	0.414	S	S	.	.	H	α-helix	trans	-64.6	-48	173.8	-81.1	165.5	0	0	0	111.2	T75 D76 A81 C82 M83	T75-L79 PolarHBondContact O-N 2.78Å; D76-L79 PolarHBondContact O-N 3.07Å; L79-A81 VanDerWaalsContact C-N 3.29Å; L79-A81 PolarHBondContact O-N 3.38Å; L79-C82 PolarHBondContact O-N 3.35Å; L79-M83 VanDerWaalsContact O-CB 3.24Å; L79-M83 WeakPolarHBondContact O-CB 3.45Å; L79-M83 VanDerWaalsContact O-CG 3.26Å; L79-M83 WeakPolarHBondContact O-CG 3.3Å; L79-M83 PolarHBondContact O-N 2.86Å
80	K	33.5	Very low	32.3	Very low	85 Å²	85	78.2 Å²	78.2	37%	0.37	39%	0.394	S	S	.	.	H	α-helix	trans	-59.5	-33.1	171.7	-74.5	170.9	172.9	166.5	0	112.2	D76 S84	D76-K80 WeakPolarHBondContact O-CA 3.4Å; D76-K80 WeakPolarHBondContact O-CB 3.14Å; D76-K80 WeakPolarHBondContact O-CG 3.47Å; D76-K80 PolarHBondContact O-N 3.04Å; D76-K80 WeakPolarHBondContact OD1-CD 3.4Å; D76-K80 WeakPolarHBondContact OD1-CE 3.49Å; D76-K80 IonicContact OD1-NZ 2.7Å; D76-K80 PolarHBondContact OD1-NZ 3.28Å; D76-K80 VanDerWaalsContact OD2-CE 3.3Å; D76-K80 WeakPolarHBondContact OD2-CE 3.38Å; D76-K80 IonicContact OD2-NZ 2.61Å; D76-K80 PolarHBondContact OD2-NZ 3.34Å; K80-S84 VanDerWaalsContact O-CA 3.27Å; K80-S84 WeakPolarHBondContact O-CA 3.34Å; K80-S84 WeakPolarHBondContact O-CB 3.28Å; K80-S84 PolarHBondContact O-N 2.71Å
81	A	28.2	Very low	33	Very low	56 Å²	56	80 Å²	80	46%	0.463	40%	0.396	S	S	.	.	H	α-helix	trans	-73.4	-44.7	175.8	0	0	0	0	0	111.9	N77 Y78 L79 S84 N85	N77-A81 WeakPolarHBondContact O-CA 3.48Å; N77-A81 WeakPolarHBondContact O-CB 3.13Å; N77-A81 PolarHBondContact O-N 3.13Å; Y78-A81 PolarHBondContact O-N 3.41Å; L79-A81 VanDerWaalsContact C-N 3.29Å; L79-A81 PolarHBondContact O-N 3.38Å; A81-S84 PolarHBondContact O-N 2.92Å; A81-N85 WeakPolarHBondContact O-CB 3.33Å; A81-N85 PolarHBondContact O-N 3.39Å
82	C	28.4	Very low	33.7	Very low	36 Å²	36	79.1 Å²	79.1	24%	0.243	40%	0.396	C	S	.	.	H	α-helix	trans	-64.7	-42.5	176.7	-70.9	0	0	0	0	112.2	Y78 L79	Y78-C82 VanDerWaalsContact CE1-SG 3.59Å; Y78-C82 WeakPolarHBondContact O-CB 3.26Å; Y78-C82 PolarHBondContact O-N 3.05Å; Y78-C82 PolarHBondContact O-SG 3.43Å; Y78-C82 VanDerWaalsContact O-SG 3.39Å; L79-C82 PolarHBondContact O-N 3.35Å
83	M	32.2	Very low	34.5	Very low	63 Å²	63	78 Å²	78	31%	0.31	39%	0.393	S	S	.	.	H	α-helix	trans	-66.1	-56.4	171.9	-70.1	166.4	45.3	0	0	109.5	L79 N85 V86 E87 Y277	L79-M83 VanDerWaalsContact O-CB 3.24Å; L79-M83 WeakPolarHBondContact O-CB 3.45Å; L79-M83 VanDerWaalsContact O-CG 3.26Å; L79-M83 WeakPolarHBondContact O-CG 3.3Å; L79-M83 PolarHBondContact O-N 2.86Å; M83-N85 VanDerWaalsContact C-N 3.26Å; M83-N85 PolarHBondContact O-N 3.43Å; M83-V86 CarbonylContact O-C 3.56Å; M83-V86 PolarHBondContact O-N 2.92Å; M83-E87 VanDerWaalsContact C-OE2 3.28Å; M83-E87 HydrophobicContact CB-CG 4.34Å; M83-E87 WeakPolarHBondContact CB-OE2 3.46Å; M83-E87 WeakPolarHBondContact CE-OE1 3.3Å; M83-E87 WeakPolarHBondContact O-CB 3.33Å; M83-E87 WeakPolarHBondContact O-CG 3.46Å; M83-E87 PolarHBondContact O-N 3.04Å; M83-Y277 HydrophobicContact CG-CE1 4.26Å
84	S	36.4	Very low	35.2	Very low	27 Å²	27	79.1 Å²	79.1	19%	0.189	40%	0.396	C	S	.	.	H	α-helix	trans	-54.3	-33.6	-177.2	-178.9	0	0	0	0	114.1	K80 A81 V86 E87 K88	K80-S84 VanDerWaalsContact O-CA 3.27Å; K80-S84 WeakPolarHBondContact O-CA 3.34Å; K80-S84 WeakPolarHBondContact O-CB 3.28Å; K80-S84 PolarHBondContact O-N 2.71Å; A81-S84 PolarHBondContact O-N 2.92Å; S84-V86 VanDerWaalsContact C-N 3.31Å; S84-V86 PolarHBondContact O-N 3.48Å; S84-E87 PolarHBondContact N-OE2 3.3Å; S84-K88 WeakPolarHBondContact O-CA 3.46Å; S84-K88 WeakPolarHBondContact O-CB 3.39Å; S84-K88 WeakPolarHBondContact O-CG 3.22Å; S84-K88 PolarHBondContact O-N 3.38Å; S84-K88 VanDerWaalsContact OG-CD 3.24Å; S84-K88 WeakPolarHBondContact OG-CD 3.42Å; S84-K88 WeakPolarHBondContact OG-CE 3.49Å; S84-K88 PolarHBondContact OG-NZ 3.25Å
85	N	38.3	Very low	36	Very low	106 Å²	106	74.7 Å²	74.7	57%	0.567	38%	0.384	S	S	*	.	H	α-helix	trans	-76.4	-20.1	179.8	-153.4	-3.1	0	0	0	113.1	A81 M83 K89	A81-N85 WeakPolarHBondContact O-CB 3.33Å; A81-N85 PolarHBondContact O-N 3.39Å; M83-N85 VanDerWaalsContact C-N 3.26Å; M83-N85 PolarHBondContact O-N 3.43Å; N85-K89 WeakPolarHBondContact O-CD 3.37Å; N85-K89 WeakPolarHBondContact O-CG 3.49Å
86	V	39.2	Very low	36.8	Very low	33 Å²	33	74.5 Å²	74.5	20%	0.2	38%	0.379	C	S	.	.	H	α-helix	trans	-95.9	-41.5	173.8	-172.1	0	0	0	0	110.3	M83 S84 K89 L90 I281 L285	M83-V86 CarbonylContact O-C 3.56Å; M83-V86 PolarHBondContact O-N 2.92Å; S84-V86 VanDerWaalsContact C-N 3.31Å; S84-V86 PolarHBondContact O-N 3.48Å; V86-K89 WeakPolarHBondContact O-CB 3.47Å; V86-K89 PolarHBondContact O-N 2.91Å; V86-L90 PolarHBondContact O-N 3.45Å; V86-I281 HydrophobicContact CB-CD1 4.5Å; V86-I281 HydrophobicContact CG1-CB 3.86Å; V86-I281 HydrophobicContact CG1-CD1 3.92Å; V86-I281 HydrophobicContact CG1-CG2 3.56Å; V86-L285 HydrophobicContact CG1-CD1 4.46Å
87	E	38.2	Very low	37.2	Very low	43 Å²	43	72.6 Å²	72.6	20%	0.201	37%	0.37	C	S	.	.	H	α-helix	trans	-61.5	-46.7	172	-70.4	174.1	145.9	0	0	111.9	M83 S84 K89 L90 F91 Y277	M83-E87 VanDerWaalsContact C-OE2 3.28Å; M83-E87 HydrophobicContact CB-CG 4.34Å; M83-E87 WeakPolarHBondContact CB-OE2 3.46Å; M83-E87 WeakPolarHBondContact CE-OE1 3.3Å; M83-E87 WeakPolarHBondContact O-CB 3.33Å; M83-E87 WeakPolarHBondContact O-CG 3.46Å; M83-E87 PolarHBondContact O-N 3.04Å; S84-E87 PolarHBondContact N-OE2 3.3Å; E87-K89 PolarHBondContact O-N 3.4Å; E87-L90 CarbonylContact O-C 3.58Å; E87-L90 WeakPolarHBondContact O-CA 3.34Å; E87-L90 WeakPolarHBondContact O-CB 3.46Å; E87-L90 PolarHBondContact O-N 2.97Å; E87-F91 HydrophobicContact CB-CD2 3.94Å; E87-F91 HydrophobicContact CB-CE2 3.94Å; E87-F91 HydrophobicContact CG-CE2 4.37Å; E87-F91 WeakPolarHBondContact O-CB 3.26Å; E87-F91 WeakPolarHBondContact O-CD2 3.29Å; E87-F91 PolarHBondContact O-N 3.28Å; E87-Y277 PolarHBondContact OE1-OH 3.47Å
88	K	42.7	Very low	37.7	Very low	147 Å²	147	72.6 Å²	72.6	64%	0.639	37%	0.37	S	S	*	.	H	α-helix	trans	-62.4	-28.3	174.9	-76.9	170.8	173.6	142.6	0	112.5	S84 G92	S84-K88 WeakPolarHBondContact O-CA 3.46Å; S84-K88 WeakPolarHBondContact O-CB 3.39Å; S84-K88 WeakPolarHBondContact O-CG 3.22Å; S84-K88 PolarHBondContact O-N 3.38Å; S84-K88 VanDerWaalsContact OG-CD 3.24Å; S84-K88 WeakPolarHBondContact OG-CD 3.42Å; S84-K88 WeakPolarHBondContact OG-CE 3.49Å; S84-K88 PolarHBondContact OG-NZ 3.25Å; K88-G92 WeakPolarHBondContact O-CA 3.38Å; K88-G92 PolarHBondContact O-N 2.75Å
89	K	44	Very low	38.5	Very low	125 Å²	125	70.1 Å²	70.1	54%	0.543	37%	0.367	S	S	.	.	H	α-helix	trans	-73.6	-36.6	171.9	-72.1	178.1	-176.8	-175.9	0	111.6	N85 V86 E87 K93 L285	N85-K89 WeakPolarHBondContact O-CD 3.37Å; N85-K89 WeakPolarHBondContact O-CG 3.49Å; V86-K89 WeakPolarHBondContact O-CB 3.47Å; V86-K89 PolarHBondContact O-N 2.91Å; E87-K89 PolarHBondContact O-N 3.4Å; K89-K93 WeakPolarHBondContact O-CB 3.48Å; K89-K93 WeakPolarHBondContact O-CG 3.34Å; K89-K93 PolarHBondContact O-N 3.01Å; K89-L285 HydrophobicContact CB-CD2 4.35Å
90	L	38.4	Very low	39.3	Very low	29 Å²	29	69 Å²	69	15%	0.152	36%	0.359	C	S	.	.	H	α-helix	trans	-70.2	-58.8	175.4	-176.3	66.8	0	0	0	111	V86 E87 K93 L94 I281 F284 L285 I288	V86-L90 PolarHBondContact O-N 3.45Å; E87-L90 CarbonylContact O-C 3.58Å; E87-L90 WeakPolarHBondContact O-CA 3.34Å; E87-L90 WeakPolarHBondContact O-CB 3.46Å; E87-L90 PolarHBondContact O-N 2.97Å; L90-K93 PolarHBondContact O-N 2.9Å; L90-L94 HydrophobicContact CD1-CD1 4.37Å; L90-L94 HydrophobicContact CG-CD1 3.99Å; L90-L94 VanDerWaalsContact O-CG 3.31Å; L90-L94 WeakPolarHBondContact O-CG 3.32Å; L90-L94 PolarHBondContact O-N 3.47Å; L90-I281 HydrophobicContact CB-CG2 3.99Å; L90-I281 HydrophobicContact CD1-CG2 4.28Å; L90-I281 HydrophobicContact CD2-CG1 4.5Å; L90-I281 HydrophobicContact CD2-CG2 3.96Å; L90-I281 HydrophobicContact CG-CG2 4.3Å; L90-F284 HydrophobicContact CD1-CB 4.03Å; L90-L285 HydrophobicContact CB-CD2 4.33Å; L90-L285 HydrophobicContact CD1-CD2 4.23Å; L90-L285 HydrophobicContact CD1-CG 4.4Å; L90-I288 HydrophobicContact CD1-CD1 3.72Å
91	F	40	Very low	39.7	Very low	117 Å²	117	68.2 Å²	68.2	51%	0.513	36%	0.358	S	S	.	.	H	α-helix	trans	-57.2	-48.9	175.9	-68.8	-60.3	0	0	0	111.5	E87 K93 L94 D95	E87-F91 HydrophobicContact CB-CD2 3.94Å; E87-F91 HydrophobicContact CB-CE2 3.94Å; E87-F91 HydrophobicContact CG-CE2 4.37Å; E87-F91 WeakPolarHBondContact O-CB 3.26Å; E87-F91 WeakPolarHBondContact O-CD2 3.29Å; E87-F91 PolarHBondContact O-N 3.28Å; F91-K93 VanDerWaalsContact C-N 3.28Å; F91-K93 PolarHBondContact O-N 3.24Å; F91-L94 HydrophobicContact CD1-CD1 4.41Å; F91-L94 CarbonylContact O-C 3.53Å; F91-L94 WeakPolarHBondContact O-CA 3.32Å; F91-L94 WeakPolarHBondContact O-CB 3.01Å; F91-L94 PolarHBondContact O-N 3.39Å; F91-D95 WeakPolarHBondContact O-CB 3.35Å; F91-D95 PolarHBondContact O-N 2.94Å
92	G	41.9	Very low	40.4	Very low	28 Å²	28	70.2 Å²	70.2	29%	0.289	36%	0.358	S	S	.	.	H	α-helix	trans	-60.3	-32.5	178.4	0	0	0	0	0	114.2	K88 I96	K88-G92 WeakPolarHBondContact O-CA 3.38Å; K88-G92 PolarHBondContact O-N 2.75Å; G92-I96 WeakPolarHBondContact O-CD1 3.35Å; G92-I96 WeakPolarHBondContact O-CG1 3.31Å; G92-I96 PolarHBondContact O-N 3.22Å
93	K	42.4	Very low	41.4	Very low	47 Å²	47	70.8 Å²	70.8	20%	0.204	36%	0.362	C	S	.	.	H	α-helix	trans	-76.7	-36.8	170.8	-73.2	-169.4	-175.2	-171.1	0	112.8	K89 L90 F91 I96 C97 L285 I288 D289	K89-K93 WeakPolarHBondContact O-CB 3.48Å; K89-K93 WeakPolarHBondContact O-CG 3.34Å; K89-K93 PolarHBondContact O-N 3.01Å; L90-K93 PolarHBondContact O-N 2.9Å; F91-K93 VanDerWaalsContact C-N 3.28Å; F91-K93 PolarHBondContact O-N 3.24Å; K93-I96 PolarHBondContact O-N 3.29Å; K93-C97 PolarHBondContact O-N 3.11Å; K93-C97 PolarHBondContact O-SG 2.89Å; K93-C97 VanDerWaalsContact O-SG 3.36Å; K93-L285 HydrophobicContact CD-CD2 4.14Å; K93-I288 HydrophobicContact CB-CG2 3.95Å; K93-I288 HydrophobicContact CD-CG2 4.16Å; K93-D289 IonicContact NZ-OD1 3.41Å; K93-D289 PolarHBondContact NZ-OD1 3.31Å; K93-D289 IonicContact NZ-OD2 3.63Å; K93-D289 PolarHBondContact NZ-OD2 2.94Å
94	L	40	Very low	41.9	Very low	76 Å²	76	69 Å²	69	40%	0.398	35%	0.354	S	S	.	.	H	α-helix	trans	-62.3	-42.7	173.2	-71.9	168.8	0	0	0	111.2	L90 F91 C97 L98 I288	L90-L94 HydrophobicContact CD1-CD1 4.37Å; L90-L94 HydrophobicContact CG-CD1 3.99Å; L90-L94 VanDerWaalsContact O-CG 3.31Å; L90-L94 WeakPolarHBondContact O-CG 3.32Å; L90-L94 PolarHBondContact O-N 3.47Å; F91-L94 HydrophobicContact CD1-CD1 4.41Å; F91-L94 CarbonylContact O-C 3.53Å; F91-L94 WeakPolarHBondContact O-CA 3.32Å; F91-L94 WeakPolarHBondContact O-CB 3.01Å; F91-L94 PolarHBondContact O-N 3.39Å; L94-C97 PolarHBondContact O-N 3.42Å; L94-L98 VanDerWaalsContact O-CB 3.25Å; L94-L98 WeakPolarHBondContact O-CB 3.41Å; L94-L98 PolarHBondContact O-N 3.45Å; L94-I288 HydrophobicContact CD2-CD1 4.02Å; L94-I288 HydrophobicContact CG-CD1 4.21Å
95	D	42.4	Very low	42.2	Very low	86 Å²	86	71.4 Å²	71.4	46%	0.46	36%	0.362	S	S	.	.	H	α-helix	trans	-62	-43.4	176	-62.1	-26.2	0	0	0	110.8	F91 L98 N99	F91-D95 WeakPolarHBondContact O-CB 3.35Å; F91-D95 PolarHBondContact O-N 2.94Å; D95-L98 PolarHBondContact O-N 3.41Å; D95-N99 VanDerWaalsContact O-CB 3.27Å; D95-N99 WeakPolarHBondContact O-CB 3.42Å; D95-N99 PolarHBondContact O-N 2.9Å; D95-N99 PolarHBondContact O-ND2 3.44Å
96	I	44.2	Very low	42.5	Very low	83 Å²	83	68.9 Å²	68.9	43%	0.426	36%	0.355	S	S	.	.	H	α-helix	trans	-60	-46.5	173.6	-71.4	164.1	0	0	0	111.1	G92 K93 K100	G92-I96 WeakPolarHBondContact O-CD1 3.35Å; G92-I96 WeakPolarHBondContact O-CG1 3.31Å; G92-I96 PolarHBondContact O-N 3.22Å; K93-I96 PolarHBondContact O-N 3.29Å; I96-K100 WeakPolarHBondContact O-CB 3.44Å; I96-K100 PolarHBondContact O-N 2.88Å; I96-K100 VanDerWaalsContact O-N 3.11Å
97	C	39.5	Very low	42.9	Very low	19 Å²	19	70.6 Å²	70.6	13%	0.128	36%	0.361	C	S	.	.	H	α-helix	trans	-63.9	-42.7	176.6	-70.1	0	0	0	0	112.2	K93 L94 K100 I101 L295	K93-C97 PolarHBondContact O-N 3.11Å; K93-C97 PolarHBondContact O-SG 2.89Å; K93-C97 VanDerWaalsContact O-SG 3.36Å; L94-C97 PolarHBondContact O-N 3.42Å; C97-K100 PolarHBondContact O-N 3.29Å; C97-I101 VanDerWaalsContact O-CG1 3.29Å; C97-I101 WeakPolarHBondContact O-CG1 3.35Å; C97-I101 PolarHBondContact O-N 2.73Å; C97-L295 HydrophobicContact CB-CD1 4.09Å
98	L	42.1	Very low	43	Very low	93 Å²	93	70.2 Å²	70.2	49%	0.487	37%	0.366	S	S	.	.	H	α-helix	trans	-67.3	-44.2	-178.6	-168	118.5	0	0	0	111.4	L94 D95 K100 I101 Q102	L94-L98 VanDerWaalsContact O-CB 3.25Å; L94-L98 WeakPolarHBondContact O-CB 3.41Å; L94-L98 PolarHBondContact O-N 3.45Å; D95-L98 PolarHBondContact O-N 3.41Å; L98-K100 VanDerWaalsContact C-N 3.33Å; L98-K100 PolarHBondContact O-N 3Å; L98-I101 PolarHBondContact O-N 2.61Å; L98-Q102 WeakPolarHBondContact O-CG 3.33Å; L98-Q102 PolarHBondContact O-N 2.94Å
99	N	46.3	Very low	42.9	Very low	97 Å²	97	66.7 Å²	66.7	52%	0.519	35%	0.354	S	S	.	.	H	α-helix	trans	-61.3	-39.2	174.2	-70.4	-30.5	0	0	0	111.9	D95 S103	D95-N99 VanDerWaalsContact O-CB 3.27Å; D95-N99 WeakPolarHBondContact O-CB 3.42Å; D95-N99 PolarHBondContact O-N 2.9Å; D95-N99 PolarHBondContact O-ND2 3.44Å; N99-S103 WeakPolarHBondContact O-CB 3.42Å; N99-S103 PolarHBondContact O-N 3.43Å
100	K	46	Very low	43	Very low	53 Å²	53	66.3 Å²	66.3	23%	0.23	35%	0.354	C	S	.	.	H	α-helix	trans	-68.4	-36.3	175.1	179.2	61.8	175.6	178.1	0	111.9	I96 C97 L98 L104 L295 L298	I96-K100 WeakPolarHBondContact O-CB 3.44Å; I96-K100 PolarHBondContact O-N 2.88Å; I96-K100 VanDerWaalsContact O-N 3.11Å; C97-K100 PolarHBondContact O-N 3.29Å; L98-K100 VanDerWaalsContact C-N 3.33Å; L98-K100 PolarHBondContact O-N 3Å; K100-L104 HydrophobicContact CG-CD1 4.36Å; K100-L104 WeakPolarHBondContact O-CD1 3.26Å; K100-L104 WeakPolarHBondContact O-CG 3.41Å; K100-L104 PolarHBondContact O-N 2.95Å; K100-L295 WeakPolarHBondContact CE-O 3.38Å; K100-L298 PolarHBondContact NZ-O 2.79Å
101	I	42.6	Very low	43.1	Very low	68 Å²	68	70.4 Å²	70.4	35%	0.349	38%	0.376	S	S	.	.	H	α-helix	trans	-66.2	-47.9	173.3	-69.9	163.8	0	0	0	110.7	C97 L98 S103 L104 E105	C97-I101 VanDerWaalsContact O-CG1 3.29Å; C97-I101 WeakPolarHBondContact O-CG1 3.35Å; C97-I101 PolarHBondContact O-N 2.73Å; L98-I101 PolarHBondContact O-N 2.61Å; I101-S103 VanDerWaalsContact C-N 3.29Å; I101-S103 PolarHBondContact O-N 3.36Å; I101-L104 WeakPolarHBondContact O-CB 3.35Å; I101-L104 PolarHBondContact O-N 3.06Å; I101-L104 VanDerWaalsContact O-N 3.13Å; I101-E105 WeakPolarHBondContact O-CB 3.36Å; I101-E105 PolarHBondContact O-N 3.41Å
102	Q	44.4	Very low	43.2	Very low	99 Å²	99	72.1 Å²	72.1	46%	0.463	38%	0.383	S	S	.	.	H	α-helix	trans	-62.4	-34.1	176.7	-72.8	177.4	-25.3	0	0	112.6	L98 A106	L98-Q102 WeakPolarHBondContact O-CG 3.33Å; L98-Q102 PolarHBondContact O-N 2.94Å; Q102-A106 WeakPolarHBondContact O-CB 3.39Å; Q102-A106 PolarHBondContact O-N 3.01Å
103	S	47.8	Very low	43.1	Very low	47 Å²	47	75.6 Å²	75.6	33%	0.329	40%	0.399	S	S	.	.	H	α-helix	trans	-65.6	-45.7	171.3	169.3	0	0	0	0	112.2	N99 I101 E105 A106 H107	N99-S103 WeakPolarHBondContact O-CB 3.42Å; N99-S103 PolarHBondContact O-N 3.43Å; I101-S103 VanDerWaalsContact C-N 3.29Å; I101-S103 PolarHBondContact O-N 3.36Å; S103-E105 VanDerWaalsContact C-N 3.31Å; S103-E105 PolarHBondContact O-N 3.02Å; S103-A106 PolarHBondContact O-N 3.11Å; S103-H107 PolarHBondContact O-CD2 3.39Å; S103-H107 PolarHBondContact O-N 2.78Å; S103-H107 VanDerWaalsContact O-N 3.11Å
104	L	42.5	Very low	43.2	Very low	27 Å²	27	81.4 Å²	81.4	14%	0.141	43%	0.427	C	S	.	.	H	α-helix	trans	-59.3	-42.5	174.1	-75.4	160.2	0	0	0	111.5	K100 I101 H107 A108 L298 I300	K100-L104 HydrophobicContact CG-CD1 4.36Å; K100-L104 WeakPolarHBondContact O-CD1 3.26Å; K100-L104 WeakPolarHBondContact O-CG 3.41Å; K100-L104 PolarHBondContact O-N 2.95Å; I101-L104 WeakPolarHBondContact O-CB 3.35Å; I101-L104 PolarHBondContact O-N 3.06Å; I101-L104 VanDerWaalsContact O-N 3.13Å; L104-H107 PolarHBondContact O-N 3.27Å; L104-A108 WeakPolarHBondContact O-CB 3.4Å; L104-A108 PolarHBondContact O-N 2.82Å; L104-L298 HydrophobicContact CD1-CD1 4.05Å; L104-I300 HydrophobicContact CD2-CD1 3.57Å; L104-I300 HydrophobicContact CD2-CG1 3.61Å; L104-I300 HydrophobicContact CG-CD1 3.98Å; L104-I300 HydrophobicContact CG-CG1 4.5Å
105	E	43.3	Very low	43.4	Very low	77 Å²	77	84 Å²	84	36%	0.36	44%	0.441	S	S	.	.	H	α-helix	trans	-64.7	-44.3	177.8	-170.3	-177.2	158.3	0	0	112.3	I101 S103 H107 A108 N109	I101-E105 WeakPolarHBondContact O-CB 3.36Å; I101-E105 PolarHBondContact O-N 3.41Å; S103-E105 VanDerWaalsContact C-N 3.31Å; S103-E105 PolarHBondContact O-N 3.02Å; E105-H107 PolarHBondContact O-N 2.99Å; E105-A108 PolarHBondContact O-N 3.48Å; E105-N109 PolarHBondContact O-N 2.92Å; E105-N109 PolarHBondContact O-ND2 3.08Å
106	A	44.8	Very low	43.5	Very low	52 Å²	52	87 Å²	87	43%	0.43	46%	0.457	S	S	.	.	H	α-helix	trans	-60.6	-44.7	176.1	0	0	0	0	0	112.1	Q102 S103 N109 Q110	Q102-A106 WeakPolarHBondContact O-CB 3.39Å; Q102-A106 PolarHBondContact O-N 3.01Å; S103-A106 PolarHBondContact O-N 3.11Å; A106-N109 PolarHBondContact O-N 3.23Å; A106-Q110 WeakPolarHBondContact O-CG 3.2Å; A106-Q110 PolarHBondContact O-N 3.43Å
107	H	48.7	Very low	43.5	Very low	69 Å²	69	89.5 Å²	89.5	32%	0.319	47%	0.471	S	S	.	.	H	α-helix	trans	-66.7	-37.7	175.7	-74	-61.2	0	0	0	112.7	S103 L104 E105 N109 Q110 N111 I300	S103-H107 PolarHBondContact O-CD2 3.39Å; S103-H107 PolarHBondContact O-N 2.78Å; S103-H107 VanDerWaalsContact O-N 3.11Å; L104-H107 PolarHBondContact O-N 3.27Å; E105-H107 PolarHBondContact O-N 2.99Å; H107-N109 VanDerWaalsContact C-N 3.3Å; H107-N109 PolarHBondContact O-N 3.35Å; H107-Q110 PolarHBondContact ND1-OE1 2.91Å; H107-Q110 PolarHBondContact O-N 3.35Å; H107-N111 PolarHBondContact O-N 2.91Å; H107-I300 HydrophobicContact CB-CG2 4.36Å
108	A	38.6	Very low	43.3	Very low	36 Å²	36	98.3 Å²	98.3	30%	0.298	50%	0.502	S	S	.	.	H	α-helix	trans	-64.3	-34.2	175.5	0	0	0	0	0	112.6	L104 E105	L104-A108 WeakPolarHBondContact O-CB 3.4Å; L104-A108 PolarHBondContact O-N 2.82Å; E105-A108 PolarHBondContact O-N 3.48Å
109	N	40.9	Very low	43	Very low	73 Å²	73	99.3 Å²	99.3	39%	0.39	51%	0.514	S	S	.	.	H	α-helix	trans	-81	-32.4	178.9	-70.3	-31.4	0	0	0	112.9	E105 A106 H107 N111 K112 T113	E105-N109 PolarHBondContact O-N 2.92Å; E105-N109 PolarHBondContact O-ND2 3.08Å; A106-N109 PolarHBondContact O-N 3.23Å; H107-N109 VanDerWaalsContact C-N 3.3Å; H107-N109 PolarHBondContact O-N 3.35Å; N109-N111 VanDerWaalsContact C-N 3.33Å; N109-N111 PolarHBondContact O-N 3.19Å; N109-K112 PolarHBondContact O-N 3.02Å; N109-T113 PolarHBondContact O-OG1 3.25Å
110	Q	45.9	Very low	42.4	Very low	116 Å²	116	101 Å²	101	54%	0.542	53%	0.528	S	S	.	.	H	α-helix	trans	-57.1	-45.9	172.1	-79	177	-35.4	0	0	111.8	A106 H107 K112 T113	A106-Q110 WeakPolarHBondContact O-CG 3.2Å; A106-Q110 PolarHBondContact O-N 3.43Å; H107-Q110 PolarHBondContact ND1-OE1 2.91Å; H107-Q110 PolarHBondContact O-N 3.35Å; Q110-K112 PolarHBondContact O-N 2.96Å; Q110-T113 PolarHBondContact O-N 3.09Å; Q110-T113 VanDerWaalsContact O-N 3.1Å; Q110-T113 PolarHBondContact O-OG1 3.43Å
111	N	41.2	Very low	41.7	Very low	116 Å²	116	106.1 Å²	106.1	62%	0.62	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-9.8	-179.7	-68.3	-4.1	0	0	0	114.2	H107 N109	H107-N111 PolarHBondContact O-N 2.91Å; N109-N111 VanDerWaalsContact C-N 3.33Å; N109-N111 PolarHBondContact O-N 3.19Å
112	K	41.7	Very low	41.6	Very low	152 Å²	152	108.3 Å²	108.3	66%	0.661	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	-22.6	173.9	-72.1	-167.3	170	-164.2	0	114.1	N109 Q110	N109-K112 PolarHBondContact O-N 3.02Å; Q110-K112 PolarHBondContact O-N 2.96Å
113	T	40.7	Very low	41.3	Very low	101 Å²	101	113.1 Å²	113.1	62%	0.62	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-7.3	-170.2	17.9	0	0	0	0	115.7	N109 Q110	N109-T113 PolarHBondContact O-OG1 3.25Å; Q110-T113 PolarHBondContact O-N 3.09Å; Q110-T113 VanDerWaalsContact O-N 3.1Å; Q110-T113 PolarHBondContact O-OG1 3.43Å
114	E	43.6	Very low	40.4	Very low	170 Å²	170	119.3 Å²	119.3	79%	0.794	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	-30.4	-179.2	-62.4	-166.6	142.1	0	0	113.6
115	D	43.4	Very low	40	Very low	129 Å²	129	124 Å²	124	69%	0.69	66%	0.656	S	S	*	*	G	3₁₀ helix	trans	-82	-24.8	-174.2	-126.5	-19.2	0	0	0	113.9	N117	D115-N117 PolarHBondContact O-N 3.07Å
116	D	45.8	Very low	39.4	Very low	149 Å²	149	125.9 Å²	125.9	80%	0.797	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-66.4	-5.1	-176.7	-101.7	-13.5	0	0	0	114.7	R118	D116-R118 VanDerWaalsContact C-N 3.33Å; D116-R118 PolarHBondContact O-N 3.15Å
117	N	43.7	Very low	38.8	Very low	137 Å²	137	130.4 Å²	130.4	73%	0.733	69%	0.69	S	S	*	*	G	3₁₀ helix	trans	-88.5	12.6	-176.9	-72.3	-73	0	0	0	114.5	D115	D115-N117 PolarHBondContact O-N 3.07Å
118	R	34.8	Very low	38.1	Very low	203 Å²	203	132.1 Å²	132.1	77%	0.766	71%	0.709	S	S	*	*			trans	-99.2	112.2	-175.2	-163.4	172.9	-172.6	170.7	1.7	112.3	D116 T120	D116-R118 VanDerWaalsContact C-N 3.33Å; D116-R118 PolarHBondContact O-N 3.15Å; R118-T120 PolarHBondContact O-N 2.74Å
119	P	36.9	Very low	37.6	Very low	115 Å²	115	139.9 Å²	139.9	75%	0.747	74%	0.739	S	S	*	*			trans	-69.4	130.1	-175.9	26.8	-34	0	0	0	112.5
120	T	32.1	Very low	37	Very low	133 Å²	133	145.4 Å²	145.4	82%	0.816	76%	0.763	S	S	*	*			trans	-86.6	134.9	-177.4	36.2	0	0	0	0	112.8	R118	R118-T120 PolarHBondContact O-N 2.74Å
121	N	32.4	Very low	36.1	Very low	159 Å²	159	148.6 Å²	148.6	85%	0.85	78%	0.778	S	S	*	*			trans	-153.5	91.7	175.3	-84	-46.1	0	0	0	110.9
122	S	40	Very low	35.4	Very low	114 Å²	114	151 Å²	151	80%	0.797	79%	0.791	S	S	*	*			trans	174.3	106.6	148.9	56.7	0	0	0	0	112.8
123	E	38.5	Very low	34.7	Very low	200 Å²	200	149.2 Å²	149.2	94%	0.935	80%	0.798	S	S	*	*			trans	34.6	154.1	139.4	-62.6	178	144.3	0	0	123.9
124	E	29.4	Very low	34.2	Very low	178 Å²	178	148.4 Å²	148.4	83%	0.832	80%	0.796	S	S	*	*			trans	-81.5	157.7	-159.1	-48.2	171.2	135.5	0	0	116.1
125	T	33.7	Very low	33.4	Very low	126 Å²	126	149.6 Å²	149.6	77%	0.773	80%	0.801	S	S	*	*				-153.9	126.3	128.2	-41.4	0	0	0	0	110.7
126	P	29.6	Very low	32.5	Very low	116 Å²	116	150 Å²	150	75%	0.753	80%	0.801	S	S	*	*			trans	-91.4	133.2	177.6	33.8	-32.6	0	0	0	112.5
127	I	33.3	Very low	31.6	Very low	146 Å²	146	146 Å²	146	75%	0.749	79%	0.785	S	S	*	*			trans	-133.7	127.2	175.4	-66.1	-177.8	0	0	0	110.6
128	S	33.2	Very low	30.8	Very low	105 Å²	105	143.6 Å²	143.6	73%	0.734	78%	0.775	S	S	*	*			trans	20.5	127.4	167.7	60.1	0	0	0	0	121	E130	S128-E130 PolarHBondContact O-N 3.32Å
129	Q	28.7	Very low	30.2	Very low	199 Å²	199	139.3 Å²	139.3	93%	0.93	76%	0.759	S	S	*	*			trans	-67	122.7	161.3	-56.7	167.3	-78.7	0	0	111
130	E	27.6	Very low	29.6	Very low	189 Å²	189	135.5 Å²	135.5	88%	0.883	74%	0.735	S	S	*	*			trans	-146	132.3	146.9	-141.4	161.8	-139.5	0	0	108.9	S128	S128-E130 PolarHBondContact O-N 3.32Å
131	E	27.9	Very low	29.3	Very low	184 Å²	184	135.2 Å²	135.2	86%	0.86	73%	0.725	S	S	*	*			trans	16.4	114.2	-174.8	-55.8	-161.1	139.2	0	0	119.8	S133	E131-S133 PolarHBondContact O-N 3.3Å
132	N	27	Very low	29	Very low	167 Å²	167	132.6 Å²	132.6	89%	0.893	70%	0.704	S	S	*	*			trans	-53	99.3	170.3	-70.1	-24.3	0	0	0	111.8	S134	N132-S134 PolarHBondContact O-N 3.34Å
133	S	27.4	Very low	28.3	Very low	114 Å²	114	133.1 Å²	133.1	80%	0.797	69%	0.694	S	S	*	*			trans	-69.3	79.7	164.7	60.2	0	0	0	0	108.9	E131 E135	E131-S133 PolarHBondContact O-N 3.3Å; S133-E135 PolarHBondContact O-N 3.39Å; S133-E135 VanDerWaalsContact O-N 3.14Å
134	S	29.7	Very low	27.6	Very low	84 Å²	84	127.5 Å²	127.5	59%	0.587	67%	0.672	S	S	*	*			trans	-58.1	121.4	-179.4	60	0	0	0	0	109.5	N132 M136	N132-S134 PolarHBondContact O-N 3.34Å; S134-M136 PolarHBondContact O-N 2.91Å
135	E	26.2	Very low	27.4	Very low	194 Å²	194	125.6 Å²	125.6	91%	0.907	66%	0.659	S	S	*	*			trans	-66	77.2	165.9	-65.6	-175.6	112.6	0	0	109.1	S133 S137	S133-E135 PolarHBondContact O-N 3.39Å; S133-E135 VanDerWaalsContact O-N 3.14Å; E135-S137 PolarHBondContact O-N 3.45Å
136	M	25.7	Very low	27.1	Very low	138 Å²	138	126.1 Å²	126.1	68%	0.68	65%	0.65	S	S	*	*			trans	-63.1	90.9	156.3	-81	-161.6	-176.9	0	0	106.2	S134 V138	S134-M136 PolarHBondContact O-N 2.91Å; M136-V138 PolarHBondContact O-N 2.97Å
137	S	25.7	Very low	27	Very low	65 Å²	65	122.5 Å²	122.5	46%	0.455	63%	0.626	S	S	.	*			trans	-44.3	134.4	175.5	63.1	0	0	0	0	108.9	E135 Y139 S140	E135-S137 PolarHBondContact O-N 3.45Å; S137-Y139 CarbonylContact O-C 3.53Å; S137-Y139 PolarHBondContact O-N 3.13Å; S137-S140 PolarHBondContact O-N 3.23Å; S137-S140 PolarHBondContact O-OG 2.87Å
138	V	26.4	Very low	26.6	Very low	87 Å²	87	119.4 Å²	119.4	53%	0.527	61%	0.614	S	S	.	*	H	α-helix	trans	-50	-26.1	-173.9	171.2	0	0	0	0	113.3	M136 S140 Y142	M136-V138 PolarHBondContact O-N 2.97Å; V138-S140 VanDerWaalsContact C-N 3.35Å; V138-S140 PolarHBondContact O-N 3.49Å; V138-Y142 HydrophobicContact CG1-CD2 3.87Å; V138-Y142 HydrophobicContact CG1-CE2 3.43Å; V138-Y142 VanDerWaalsContact CG1-CE2 3.43Å; V138-Y142 VanDerWaalsContact O-CD2 3.24Å; V138-Y142 WeakPolarHBondContact O-CD2 3.34Å
139	Y	23	Very low	26.3	Very low	113 Å²	113	117.1 Å²	117.1	44%	0.443	60%	0.595	S	S	.	*	H	α-helix	trans	-50.4	-40.8	167.7	-67.2	-89.8	0	0	0	115.4	S137 Y142 Q143	S137-Y139 CarbonylContact O-C 3.53Å; S137-Y139 PolarHBondContact O-N 3.13Å; Y139-Y142 PolarHBondContact O-N 3.11Å; Y139-Q143 WeakPolarHBondContact O-CB 3.42Å; Y139-Q143 PolarHBondContact O-N 3.48Å
140	S	25	Very low	26.3	Very low	34 Å²	34	107.6 Å²	107.6	24%	0.238	55%	0.551	C	S	.	*	H	α-helix	trans	-73	-32.5	-172.8	58.8	0	0	0	0	113.1	S137 V138 V144	S137-S140 PolarHBondContact O-N 3.23Å; S137-S140 PolarHBondContact O-OG 2.87Å; V138-S140 VanDerWaalsContact C-N 3.35Å; V138-S140 PolarHBondContact O-N 3.49Å; S140-V144 VanDerWaalsContact O-CB 3.31Å; S140-V144 WeakPolarHBondContact O-CB 3.32Å; S140-V144 VanDerWaalsContact O-CG2 3.23Å; S140-V144 WeakPolarHBondContact O-CG2 3.47Å; S140-V144 PolarHBondContact O-N 2.9Å
141	E	24.9	Very low	26.2	Very low	127 Å²	127	102 Å²	102	59%	0.593	53%	0.53	S	S	*	.	H	α-helix	trans	-70.2	-42.1	173.7	-66.9	-160.4	125.9	0	0	111.4	V144 Y145	E141-V144 PolarHBondContact O-N 3.07Å; E141-Y145 WeakPolarHBondContact O-CD2 3.47Å; E141-Y145 PolarHBondContact O-N 3.35Å
142	Y	25.7	Very low	26.2	Very low	104 Å²	104	98 Å²	98	41%	0.408	51%	0.507	S	S	.	.	H	α-helix	trans	-65.9	-40.8	176	-70	-57.3	0	0	0	112.1	V138 Y139 F146 L330	V138-Y142 HydrophobicContact CG1-CD2 3.87Å; V138-Y142 HydrophobicContact CG1-CE2 3.43Å; V138-Y142 VanDerWaalsContact CG1-CE2 3.43Å; V138-Y142 VanDerWaalsContact O-CD2 3.24Å; V138-Y142 WeakPolarHBondContact O-CD2 3.34Å; Y139-Y142 PolarHBondContact O-N 3.11Å; Y142-F146 WeakPolarHBondContact O-CB 3.44Å; Y142-F146 PolarHBondContact O-N 3Å; Y142-L330 HydrophobicContact CE1-CB 4.28Å; Y142-L330 HydrophobicContact CE1-CD1 4.24Å; Y142-L330 HydrophobicContact CE2-CD1 4.12Å; Y142-L330 WeakPolarHBondContact OH-CB 3.34Å; Y142-L330 WeakPolarHBondContact OH-CD1 3.29Å
143	Q	25.3	Very low	26.3	Very low	126 Å²	126	92.9 Å²	92.9	59%	0.589	48%	0.478	S	S	*	.	H	α-helix	trans	-61.5	-50.3	169.6	-79.2	-172	-10.3	0	0	111	Y139 Y145 F146 T147	Y139-Q143 WeakPolarHBondContact O-CB 3.42Å; Y139-Q143 PolarHBondContact O-N 3.48Å; Q143-Y145 VanDerWaalsContact C-N 3.33Å; Q143-Y145 PolarHBondContact O-N 3.43Å; Q143-F146 CarbonylContact O-C 3.39Å; Q143-F146 WeakPolarHBondContact O-CA 3.41Å; Q143-F146 WeakPolarHBondContact O-CB 3.43Å; Q143-F146 PolarHBondContact O-N 2.99Å; Q143-T147 PolarHBondContact O-N 3.27Å; Q143-T147 PolarHBondContact O-OG1 3.25Å
144	V	24	Very low	26.2	Very low	81 Å²	81	89.2 Å²	89.2	49%	0.491	45%	0.452	S	S	.	.	H	α-helix	trans	-62.3	-35	-179.2	169.2	0	0	0	0	112.8	S140 E141 F146 T147 V148	S140-V144 VanDerWaalsContact O-CB 3.31Å; S140-V144 WeakPolarHBondContact O-CB 3.32Å; S140-V144 VanDerWaalsContact O-CG2 3.23Å; S140-V144 WeakPolarHBondContact O-CG2 3.47Å; S140-V144 PolarHBondContact O-N 2.9Å; E141-V144 PolarHBondContact O-N 3.07Å; V144-F146 VanDerWaalsContact C-N 3.33Å; V144-T147 CarbonylContact O-C 3.51Å; V144-T147 WeakPolarHBondContact O-CA 3.34Å; V144-T147 PolarHBondContact O-N 3.4Å; V144-V148 HydrophobicContact CG1-CG2 3.96Å; V144-V148 WeakPolarHBondContact O-CB 3.15Å; V144-V148 VanDerWaalsContact O-CG2 3.32Å; V144-V148 WeakPolarHBondContact O-CG2 3.42Å; V144-V148 PolarHBondContact O-N 2.93Å
145	Y	25.2	Very low	26.1	Very low	139 Å²	139	89 Å²	89	55%	0.545	45%	0.445	S	S	.	.	H	α-helix	trans	-69.2	-32.4	167.5	-88.2	-78.7	0	0	0	112.3	E141 Q143 T147 V149 H334 K377	E141-Y145 WeakPolarHBondContact O-CD2 3.47Å; E141-Y145 PolarHBondContact O-N 3.35Å; Q143-Y145 VanDerWaalsContact C-N 3.33Å; Q143-Y145 PolarHBondContact O-N 3.43Å; Y145-T147 VanDerWaalsContact C-N 3.27Å; Y145-T147 PolarHBondContact O-N 3.48Å; Y145-V149 PolarHBondContact O-N 3.44Å; Y145-H334 AromaticContact CE1-CE1 3.71Å; Y145-H334 AromaticContact CZ-CE1 3.86Å; Y145-K377 PolarHBondContact O-NZ 3.49Å
146	F	27.4	Very low	26.2	Very low	136 Å²	136	81.7 Å²	81.7	60%	0.596	41%	0.411	S	S	*	.	H	α-helix	trans	-68.6	-16.6	163.8	-106	-123	0	0	0	114.5	Y142 Q143 V144 A150 K377 E381	Y142-F146 WeakPolarHBondContact O-CB 3.44Å; Y142-F146 PolarHBondContact O-N 3Å; Q143-F146 CarbonylContact O-C 3.39Å; Q143-F146 WeakPolarHBondContact O-CA 3.41Å; Q143-F146 WeakPolarHBondContact O-CB 3.43Å; Q143-F146 PolarHBondContact O-N 2.99Å; V144-F146 VanDerWaalsContact C-N 3.33Å; F146-A150 VanDerWaalsContact O-CB 3.22Å; F146-A150 WeakPolarHBondContact O-CB 3.33Å; F146-K377 VanDerWaalsContact C-NZ 3.32Å; F146-K377 VanDerWaalsContact CA-NZ 3.26Å; F146-K377 HydrophobicContact CB-CD 4.14Å; F146-K377 HydrophobicContact CD1-CD 3.33Å; F146-K377 HydrophobicContact CD1-CG 3.94Å; F146-K377 HydrophobicContact CD2-CD 4.15Å; F146-K377 HydrophobicContact CE1-CD 3.52Å; F146-K377 HydrophobicContact CE1-CG 4.28Å; F146-K377 HydrophobicContact CE2-CD 4.32Å; F146-K377 HydrophobicContact CG-CD 3.64Å; F146-K377 HydrophobicContact CZ-CD 4.02Å; F146-K377 WeakPolarHBondContact O-CD 3.29Å; F146-K377 WeakPolarHBondContact O-CE 3.29Å; F146-K377 WeakPolarHBondContact O-CG 3.09Å; F146-K377 PolarHBondContact O-NZ 2.79Å; F146-E381 VanDerWaalsContact C-OE1 3.27Å
147	T	26.8	Very low	26.4	Very low	40 Å²	40	80.8 Å²	80.8	25%	0.245	40%	0.401	C	S	.	.	H	α-helix	trans	-98.8	-24.1	176.7	-45.9	0	0	0	0	113.5	Q143 V144 Y145 A150 V151 I378 E381	Q143-T147 PolarHBondContact O-N 3.27Å; Q143-T147 PolarHBondContact O-OG1 3.25Å; V144-T147 CarbonylContact O-C 3.51Å; V144-T147 WeakPolarHBondContact O-CA 3.34Å; V144-T147 PolarHBondContact O-N 3.4Å; Y145-T147 VanDerWaalsContact C-N 3.27Å; Y145-T147 PolarHBondContact O-N 3.48Å; T147-A150 VanDerWaalsContact CA-CB 3.46Å; T147-A150 CarbonylContact O-C 3.56Å; T147-A150 VanDerWaalsContact O-C 3.28Å; T147-A150 WeakPolarHBondContact O-CA 3.44Å; T147-A150 WeakPolarHBondContact O-CB 3.45Å; T147-A150 PolarHBondContact O-N 3.1Å; T147-V151 PolarHBondContact O-N 3.44Å; T147-I378 HydrophobicContact CG2-CD1 3.67Å; T147-I378 HydrophobicContact CG2-CG1 3.68Å; T147-E381 WeakPolarHBondContact CA-OE1 3.2Å; T147-E381 PolarHBondContact N-OE1 2.99Å; T147-E381 PolarHBondContact OG1-OE1 2.92Å
148	V	24.9	Very low	26.5	Very low	82 Å²	82	81.9 Å²	81.9	50%	0.497	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	10.7	-178.2	179.5	0	0	0	0	112.2	V144 L374	V144-V148 HydrophobicContact CG1-CG2 3.96Å; V144-V148 WeakPolarHBondContact O-CB 3.15Å; V144-V148 VanDerWaalsContact O-CG2 3.32Å; V144-V148 WeakPolarHBondContact O-CG2 3.42Å; V144-V148 PolarHBondContact O-N 2.93Å; V148-L374 WeakPolarHBondContact O-CD1 3.44Å; V148-L374 WeakPolarHBondContact O-CG 3.47Å
149	V	28.6	Very low	26.6	Very low	56 Å²	56	82.4 Å²	82.4	34%	0.339	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	43.9	143.5	-153.9	0	0	0	0	108.5	Y145 I373 L374 K377	Y145-V149 PolarHBondContact O-N 3.44Å; V149-I373 HydrophobicContact CG1-CB 3.85Å; V149-I373 HydrophobicContact CG1-CG2 3.61Å; V149-L374 CarbonylContact C-O 3.46Å; V149-L374 HydrophobicContact CG1-CB 4.31Å; V149-L374 WeakPolarHBondContact O-CA 3.31Å; V149-K377 VanDerWaalsContact CB-NZ 3.3Å; V149-K377 WeakPolarHBondContact O-CE 3.35Å
150	A	27.9	Very low	26.9	Very low	0 Å²	0	80.4 Å²	80.4	0%	0	40%	0.4	C	S	.	.	S	Bend	trans	-154.8	4.8	-166.1	0	0	0	0	0	120.7	F146 T147 L374 V375 K377 I378	F146-A150 VanDerWaalsContact O-CB 3.22Å; F146-A150 WeakPolarHBondContact O-CB 3.33Å; T147-A150 VanDerWaalsContact CA-CB 3.46Å; T147-A150 CarbonylContact O-C 3.56Å; T147-A150 VanDerWaalsContact O-C 3.28Å; T147-A150 WeakPolarHBondContact O-CA 3.44Å; T147-A150 WeakPolarHBondContact O-CB 3.45Å; T147-A150 PolarHBondContact O-N 3.1Å; A150-L374 CarbonylContact C-O 2.93Å; A150-L374 VanDerWaalsContact CA-C 3.5Å; A150-L374 WeakPolarHBondContact CA-O 3.33Å; A150-L374 VanDerWaalsContact N-C 3.28Å; A150-L374 PolarHBondContact N-O 2.92Å; A150-V375 CarbonylContact C-O 3.6Å; A150-V375 WeakPolarHBondContact CA-O 3.46Å; A150-V375 CarbonylContact O-C 3.6Å; A150-V375 VanDerWaalsContact O-CA 3.28Å; A150-V375 WeakPolarHBondContact O-CA 3.46Å; A150-K377 HydrophobicContact CB-CB 3.66Å; A150-K377 HydrophobicContact CB-CD 4.46Å; A150-K377 HydrophobicContact CB-CG 3.97Å; A150-I378 HydrophobicContact CB-CB 4.38Å; A150-I378 HydrophobicContact CB-CG1 4.02Å; A150-I378 WeakPolarHBondContact O-CB 3.38Å; A150-I378 WeakPolarHBondContact O-CD1 3.27Å; A150-I378 VanDerWaalsContact O-CG1 3.25Å; A150-I378 WeakPolarHBondContact O-CG1 3.06Å; A150-I378 PolarHBondContact O-N 2.8Å
151	V	26.3	Very low	27	Very low	71 Å²	71	80.8 Å²	80.8	43%	0.43	40%	0.4	S	S	.	.	S	Bend	trans	-107.3	12.5	165.6	83.5	0	0	0	0	122.1	T147 L374 I378	T147-V151 PolarHBondContact O-N 3.44Å; V151-L374 CarbonylContact C-O 3.07Å; V151-L374 VanDerWaalsContact C-O 3.29Å; V151-L374 VanDerWaalsContact CA-O 3.31Å; V151-L374 WeakPolarHBondContact CA-O 3.4Å; V151-L374 HydrophobicContact CG1-CD2 3.91Å; V151-L374 PolarHBondContact N-O 2.81Å; V151-I378 HydrophobicContact CB-CD1 3.77Å; V151-I378 HydrophobicContact CG2-CD1 3.81Å
152	R	26.3	Very low	27.2	Very low	100 Å²	100	78.5 Å²	78.5	38%	0.377	39%	0.392	S	S	.	.	S	Bend	trans	-143.5	-20.6	-177.9	-58.9	-175.2	-162.6	133	17.6	124.1	S154 D155 I156 E371 L374	R152-S154 PolarHBondContact O-N 3.02Å; R152-D155 HydrophobicContact CB-CB 4.4Å; R152-D155 WeakPolarHBondContact CG-OD2 3.32Å; R152-D155 WeakPolarHBondContact O-CA 3.27Å; R152-D155 VanDerWaalsContact O-CB 3.26Å; R152-D155 WeakPolarHBondContact O-CB 3.25Å; R152-D155 PolarHBondContact O-N 3.06Å; R152-I156 PolarHBondContact O-N 3.23Å; R152-E371 CarbonylContact C-O 3.27Å; R152-E371 HydrophobicContact CB-CB 4.24Å; R152-E371 WeakPolarHBondContact CB-O 3.37Å; R152-E371 IonicContact NH1-OE1 2.81Å; R152-E371 VanDerWaalsContact O-O 3.09Å; R152-L374 HydrophobicContact CB-CD2 3.68Å; R152-L374 HydrophobicContact CG-CD2 3.54Å; R152-L374 VanDerWaalsContact N-C 3.26Å; R152-L374 PolarHBondContact N-O 3.32Å
153	M	29.4	Very low	27.3	Very low	59 Å²	59	80.8 Å²	80.8	29%	0.291	41%	0.407	S	S	.	.	H	α-helix	trans	-33.6	-45.9	168.9	-113.5	-65.5	171.5	0	0	113.6	Y157 E371 S372 V375 V376	M153-Y157 WeakPolarHBondContact O-CB 3.41Å; M153-Y157 PolarHBondContact O-N 3.42Å; M153-E371 PolarHBondContact N-O 3.18Å; M153-E371 VanDerWaalsContact N-O 3.16Å; M153-S372 WeakPolarHBondContact CA-O 3.19Å; M153-S372 WeakPolarHBondContact CB-O 3.28Å; M153-S372 WeakPolarHBondContact CG-O 3.44Å; M153-S372 PolarHBondContact N-O 2.87Å; M153-V375 HydrophobicContact CB-CB 3.53Å; M153-V375 HydrophobicContact CB-CG1 3.71Å; M153-V376 HydrophobicContact CB-CG2 4.1Å; M153-V376 HydrophobicContact CG-CB 4.36Å; M153-V376 HydrophobicContact CG-CG2 3.74Å
154	S	26.7	Very low	27.4	Very low	37 Å²	37	83.5 Å²	83.5	26%	0.259	41%	0.413	S	S	.	.	H	α-helix	trans	-92.1	-9.3	-179.1	-59	0	0	0	0	113.5	R152 I156 M158 V375	R152-S154 PolarHBondContact O-N 3.02Å; S154-I156 VanDerWaalsContact C-N 3.31Å; S154-M158 WeakPolarHBondContact O-CA 3.24Å; S154-M158 WeakPolarHBondContact O-CB 3.46Å; S154-M158 WeakPolarHBondContact O-CG 3.23Å; S154-M158 PolarHBondContact O-N 2.96Å; S154-V375 VanDerWaalsContact OG-CG1 3.26Å; S154-V375 WeakPolarHBondContact OG-CG1 3.4Å
155	D	26.7	Very low	27.5	Very low	80 Å²	80	86.4 Å²	86.4	43%	0.428	42%	0.419	S	S	.	.	H	α-helix	trans	-67	-41.1	163.3	-63.3	-1.6	0	0	0	109.3	R152 N159	R152-D155 HydrophobicContact CB-CB 4.4Å; R152-D155 WeakPolarHBondContact CG-OD2 3.32Å; R152-D155 WeakPolarHBondContact O-CA 3.27Å; R152-D155 VanDerWaalsContact O-CB 3.26Å; R152-D155 WeakPolarHBondContact O-CB 3.25Å; R152-D155 PolarHBondContact O-N 3.06Å; D155-N159 VanDerWaalsContact O-CB 3.22Å; D155-N159 WeakPolarHBondContact O-CB 3.39Å; D155-N159 PolarHBondContact O-N 3.44Å; D155-N159 PolarHBondContact O-ND2 3.26Å
156	I	29.1	Very low	27.6	Very low	40 Å²	40	87.4 Å²	87.4	21%	0.205	43%	0.434	C	S	.	.	H	α-helix	trans	-75.6	-39.2	177	-68.2	173.6	0	0	0	110.9	R152 S154 T160 T368 E371	R152-I156 PolarHBondContact O-N 3.23Å; S154-I156 VanDerWaalsContact C-N 3.31Å; I156-T160 WeakPolarHBondContact O-CB 3.1Å; I156-T160 PolarHBondContact O-N 2.85Å; I156-T160 VanDerWaalsContact O-N 3.16Å; I156-T160 PolarHBondContact O-OG1 3.07Å; I156-T368 HydrophobicContact CD1-CG2 3.71Å; I156-T368 WeakPolarHBondContact CD1-O 3.43Å; I156-T368 HydrophobicContact CG1-CG2 4.44Å; I156-T368 HydrophobicContact CG2-CG2 4Å; I156-E371 VanDerWaalsContact CD1-C 3.46Å; I156-E371 HydrophobicContact CD1-CB 3.74Å; I156-E371 WeakPolarHBondContact CD1-O 3.21Å
157	Y	28.4	Very low	27.6	Very low	119 Å²	119	91.2 Å²	91.2	47%	0.467	45%	0.445	S	S	.	.	H	α-helix	trans	-62.1	-49	171.7	-151.3	-102.3	0	0	0	111.9	M153 T160 V161 C181	M153-Y157 WeakPolarHBondContact O-CB 3.41Å; M153-Y157 PolarHBondContact O-N 3.42Å; Y157-T160 PolarHBondContact O-N 3.01Å; Y157-V161 HydrophobicContact CD1-CG2 3.99Å; Y157-V161 HydrophobicContact CE1-CG2 3.98Å; Y157-V161 WeakPolarHBondContact O-CG2 3.24Å; Y157-V161 PolarHBondContact O-N 3.2Å; Y157-C181 PolarHBondContact OH-SG 3.49Å
158	M	27.9	Very low	27.7	Very low	88 Å²	88	95 Å²	95	43%	0.433	47%	0.47	S	S	.	.	H	α-helix	trans	-73.4	-36.2	-175.9	-65.1	-79.9	-93.3	0	0	112.3	S154 T160 V161 N162	S154-M158 WeakPolarHBondContact O-CA 3.24Å; S154-M158 WeakPolarHBondContact O-CB 3.46Å; S154-M158 WeakPolarHBondContact O-CG 3.23Å; S154-M158 PolarHBondContact O-N 2.96Å; M158-T160 VanDerWaalsContact C-N 3.26Å; M158-T160 PolarHBondContact O-N 3.25Å; M158-V161 PolarHBondContact O-N 3.39Å; M158-N162 WeakPolarHBondContact O-CB 3.14Å; M158-N162 PolarHBondContact O-N 2.98Å; M158-N162 PolarHBondContact O-ND2 2.78Å
159	N	28.9	Very low	28.1	Very low	98 Å²	98	94.4 Å²	94.4	52%	0.524	47%	0.466	S	S	.	.	H	α-helix	trans	-61.1	-38.1	170	-85.2	-61.4	0	0	0	111.4	D155 Q163	D155-N159 VanDerWaalsContact O-CB 3.22Å; D155-N159 WeakPolarHBondContact O-CB 3.39Å; D155-N159 PolarHBondContact O-N 3.44Å; D155-N159 PolarHBondContact O-ND2 3.26Å; N159-Q163 WeakPolarHBondContact O-CB 3.03Å; N159-Q163 WeakPolarHBondContact O-CG 3.44Å; N159-Q163 PolarHBondContact O-N 3.48Å
160	T	29.2	Very low	28	Very low	72 Å²	72	97.1 Å²	97.1	44%	0.442	49%	0.488	S	S	.	.	H	α-helix	trans	-69.8	-47.1	176	-52.3	0	0	0	0	111.4	I156 Y157 M158 Q163 Y164	I156-T160 WeakPolarHBondContact O-CB 3.1Å; I156-T160 PolarHBondContact O-N 2.85Å; I156-T160 VanDerWaalsContact O-N 3.16Å; I156-T160 PolarHBondContact O-OG1 3.07Å; Y157-T160 PolarHBondContact O-N 3.01Å; M158-T160 VanDerWaalsContact C-N 3.26Å; M158-T160 PolarHBondContact O-N 3.25Å; T160-Q163 PolarHBondContact O-N 3.08Å; T160-Y164 HydrophobicContact CG2-CD2 4.4Å; T160-Y164 WeakPolarHBondContact O-CD2 3.36Å; T160-Y164 PolarHBondContact O-N 3.3Å
161	V	28.4	Very low	27.9	Very low	41 Å²	41	101.7 Å²	101.7	25%	0.248	53%	0.525	C	S	.	.	H	α-helix	trans	-63.2	-45.2	179.6	169.7	0	0	0	0	111.6	Y157 M158 Q163 Y164 F165	Y157-V161 HydrophobicContact CD1-CG2 3.99Å; Y157-V161 HydrophobicContact CE1-CG2 3.98Å; Y157-V161 WeakPolarHBondContact O-CG2 3.24Å; Y157-V161 PolarHBondContact O-N 3.2Å; M158-V161 PolarHBondContact O-N 3.39Å; V161-Q163 VanDerWaalsContact C-N 3.28Å; V161-Q163 PolarHBondContact O-N 2.74Å; V161-Y164 PolarHBondContact O-N 2.98Å; V161-Y164 VanDerWaalsContact O-N 3.12Å; V161-F165 HydrophobicContact CG1-CD2 4.49Å; V161-F165 PolarHBondContact O-N 2.87Å
162	N	27.9	Very low	27.9	Very low	79 Å²	79	102.8 Å²	102.8	42%	0.422	53%	0.528	S	S	.	.	H	α-helix	trans	-66.6	-26.5	178.6	-70.3	-24	0	0	0	112.9	M158	M158-N162 WeakPolarHBondContact O-CB 3.14Å; M158-N162 PolarHBondContact O-N 2.98Å; M158-N162 PolarHBondContact O-ND2 2.78Å
163	Q	29.1	Very low	27.9	Very low	153 Å²	153	101.5 Å²	101.5	72%	0.715	53%	0.529	S	S	*	.	H	α-helix	trans	-74.7	-25	173	-77.4	177	23.6	0	0	113.4	N159 T160 V161	N159-Q163 WeakPolarHBondContact O-CB 3.03Å; N159-Q163 WeakPolarHBondContact O-CG 3.44Å; N159-Q163 PolarHBondContact O-N 3.48Å; T160-Q163 PolarHBondContact O-N 3.08Å; V161-Q163 VanDerWaalsContact C-N 3.28Å; V161-Q163 PolarHBondContact O-N 2.74Å
164	Y	25.8	Very low	27.8	Very low	182 Å²	182	103.9 Å²	103.9	71%	0.714	54%	0.542	S	S	*	.	H	α-helix	trans	-98.3	-25.2	179.9	-83.9	-94.2	0	0	0	114.1	T160 V161	T160-Y164 HydrophobicContact CG2-CD2 4.4Å; T160-Y164 WeakPolarHBondContact O-CD2 3.36Å; T160-Y164 PolarHBondContact O-N 3.3Å; V161-Y164 PolarHBondContact O-N 2.98Å; V161-Y164 VanDerWaalsContact O-N 3.12Å
165	F	26.3	Very low	27.7	Very low	142 Å²	142	111.3 Å²	111.3	62%	0.623	57%	0.565	S	S	*	*			trans	-127.4	92.3	-174.1	-66.9	-82.8	0	0	0	112.9	V161 R167	V161-F165 HydrophobicContact CG1-CD2 4.49Å; V161-F165 PolarHBondContact O-N 2.87Å; F165-R167 PolarHBondContact O-N 3.39Å
166	N	27.2	Very low	27.7	Very low	161 Å²	161	115.1 Å²	115.1	86%	0.861	57%	0.574	S	S	*	*			trans	-70.8	64	173.3	-81.5	-42	0	0	0	113
167	R	27.6	Very low	27.6	Very low	216 Å²	216	116.1 Å²	116.1	82%	0.815	58%	0.578	S	S	*	*	S	Bend	trans	-144.4	146.9	168.6	-74.1	-164.6	174	-166.6	-1.7	112.4	F165 T169	F165-R167 PolarHBondContact O-N 3.39Å; R167-T169 PolarHBondContact O-N 3.2Å
168	P	30	Very low	27.6	Very low	119 Å²	119	118 Å²	118	77%	0.773	59%	0.585	S	S	*	*			trans	-67.6	130.2	179.5	-17.1	31.4	0	0	0	112.3	S170	P168-S170 VanDerWaalsContact C-N 3.26Å; P168-S170 PolarHBondContact O-N 3.36Å
169	T	32.3	Very low	27.5	Very low	69 Å²	69	121.9 Å²	121.9	42%	0.423	60%	0.6	S	S	.	*			trans	-86.1	22.6	-176.7	32.1	0	0	0	0	114.3	R167 A171	R167-T169 PolarHBondContact O-N 3.2Å; T169-A171 VanDerWaalsContact C-N 3.28Å; T169-A171 PolarHBondContact O-N 3.24Å; T169-A171 VanDerWaalsContact O-N 3.07Å
170	S	26.1	Very low	27.4	Very low	113 Å²	113	120.3 Å²	120.3	79%	0.79	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	13.1	-165.9	56.5	0	0	0	0	116.9	P168	P168-S170 VanDerWaalsContact C-N 3.26Å; P168-S170 PolarHBondContact O-N 3.36Å
171	A	26.1	Very low	27.3	Very low	96 Å²	96	118.8 Å²	118.8	79%	0.793	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-147.9	7.9	-172.6	0	0	0	0	0	116.6	T169	T169-A171 VanDerWaalsContact C-N 3.28Å; T169-A171 PolarHBondContact O-N 3.24Å; T169-A171 VanDerWaalsContact O-N 3.07Å
172	L	26.7	Very low	27.3	Very low	94 Å²	94	121.8 Å²	121.8	49%	0.492	59%	0.594	S	S	.	*			trans	-107.4	105.5	-171.7	-83.3	160.6	0	0	0	113	L174 H177	L172-L174 PolarHBondContact O-N 3.22Å; L172-H177 PolarHBondContact O-ND1 2.77Å
173	D	26.3	Very low	27.1	Very low	74 Å²	74	119 Å²	119	40%	0.396	59%	0.585	S	S	.	*			trans	-46	133.6	175.5	-175.5	-20	0	0	0	111.2	R175 Y176 H177	D173-R175 PolarHBondContact O-N 2.95Å; D173-R175 VanDerWaalsContact O-N 3.1Å; D173-R175 WeakPolarHBondContact OD1-CB 3.34Å; D173-R175 PolarHBondContact OD1-N 3.31Å; D173-R175 IonicContact OD1-NE 3.37Å; D173-R175 IonicContact OD2-CZ 2.67Å; D173-R175 IonicContact OD2-NE 2.69Å; D173-R175 PolarHBondContact OD2-NE 3.01Å; D173-R175 IonicContact OD2-NH2 2.64Å; D173-R175 PolarHBondContact OD2-NH2 3.13Å; D173-Y176 HydrophobicContact CB-CD2 4.47Å; D173-Y176 WeakPolarHBondContact O-CB 3.38Å; D173-Y176 PolarHBondContact O-N 2.99Å; D173-H177 PolarHBondContact O-N 3.06Å
174	L	27	Very low	27	Very low	108 Å²	108	115.6 Å²	115.6	57%	0.565	57%	0.571	S	S	*	*	H	α-helix	trans	-57.4	-24.5	178.3	-79.9	82.1	0	0	0	112.8	L172 H177 Y178	L172-L174 PolarHBondContact O-N 3.22Å; L174-H177 PolarHBondContact O-N 2.85Å; L174-Y178 PolarHBondContact O-N 3.24Å; L174-Y178 VanDerWaalsContact O-N 3.15Å
175	R	25.8	Very low	27.1	Very low	193 Å²	193	109.4 Å²	109.4	73%	0.728	56%	0.562	S	S	*	*	H	α-helix	trans	-66.2	-39.3	173.3	-72.9	-177.5	-83.1	-151.9	-3.6	112.6	D173	D173-R175 PolarHBondContact O-N 2.95Å; D173-R175 VanDerWaalsContact O-N 3.1Å; D173-R175 WeakPolarHBondContact OD1-CB 3.34Å; D173-R175 PolarHBondContact OD1-N 3.31Å; D173-R175 IonicContact OD1-NE 3.37Å; D173-R175 IonicContact OD2-CZ 2.67Å; D173-R175 IonicContact OD2-NE 2.69Å; D173-R175 PolarHBondContact OD2-NE 3.01Å; D173-R175 IonicContact OD2-NH2 2.64Å; D173-R175 PolarHBondContact OD2-NH2 3.13Å
176	Y	25.7	Very low	27.1	Very low	160 Å²	160	105.5 Å²	105.5	63%	0.627	55%	0.552	S	S	*	*	H	α-helix	trans	-65.8	-44.4	171.5	-91.8	-90.1	0	0	0	110.8	D173 Y178 F179 I180	D173-Y176 HydrophobicContact CB-CD2 4.47Å; D173-Y176 WeakPolarHBondContact O-CB 3.38Å; D173-Y176 PolarHBondContact O-N 2.99Å; Y176-Y178 VanDerWaalsContact C-N 3.31Å; Y176-Y178 PolarHBondContact O-N 2.81Å; Y176-F179 PolarHBondContact O-N 3.47Å; Y176-I180 VanDerWaalsContact O-CB 3.23Å; Y176-I180 WeakPolarHBondContact O-CB 3.35Å; Y176-I180 WeakPolarHBondContact O-CG1 3.18Å; Y176-I180 PolarHBondContact O-N 3.15Å
177	H	28	Very low	27.1	Very low	61 Å²	61	101.2 Å²	101.2	28%	0.282	53%	0.527	S	S	.	.	H	α-helix	trans	-54.8	-42.1	178	-91.5	92.8	0	0	0	113.1	L172 D173 L174 I180 C181	L172-H177 PolarHBondContact O-ND1 2.77Å; D173-H177 PolarHBondContact O-N 3.06Å; L174-H177 PolarHBondContact O-N 2.85Å; H177-I180 CarbonylContact O-C 3.52Å; H177-I180 WeakPolarHBondContact O-CB 3.48Å; H177-I180 PolarHBondContact O-N 2.89Å; H177-C181 WeakPolarHBondContact O-CB 3.49Å; H177-C181 PolarHBondContact O-N 3.33Å; H177-C181 PolarHBondContact O-SG 3.34Å
178	Y	28.5	Very low	27.2	Very low	158 Å²	158	94.6 Å²	94.6	62%	0.62	51%	0.507	S	S	*	.	H	α-helix	trans	-65.4	-43	-179.2	-165.3	-95.3	0	0	0	113.1	L174 Y176 C181 Q182	L174-Y178 PolarHBondContact O-N 3.24Å; L174-Y178 VanDerWaalsContact O-N 3.15Å; Y176-Y178 VanDerWaalsContact C-N 3.31Å; Y176-Y178 PolarHBondContact O-N 2.81Å; Y178-C181 PolarHBondContact O-N 3.19Å; Y178-Q182 PolarHBondContact O-N 3.11Å
179	F	25.3	Very low	27	Very low	170 Å²	170	91.9 Å²	91.9	75%	0.746	50%	0.495	S	S	*	.	H	α-helix	trans	-65.3	-42.5	173.6	-108.9	-91.6	0	0	0	112	Y176 C181 G183	Y176-F179 PolarHBondContact O-N 3.47Å; F179-C181 VanDerWaalsContact C-N 3.27Å; F179-C181 PolarHBondContact O-N 2.93Å; F179-G183 PolarHBondContact O-N 2.95Å
180	I	26.3	Very low	26.9	Very low	65 Å²	65	92.4 Å²	92.4	33%	0.333	49%	0.494	S	S	.	.	H	α-helix	trans	-57.2	-39.5	172.7	-76.6	170.6	0	0	0	110.5	Y176 H177 L184	Y176-I180 VanDerWaalsContact O-CB 3.23Å; Y176-I180 WeakPolarHBondContact O-CB 3.35Å; Y176-I180 WeakPolarHBondContact O-CG1 3.18Å; Y176-I180 PolarHBondContact O-N 3.15Å; H177-I180 CarbonylContact O-C 3.52Å; H177-I180 WeakPolarHBondContact O-CB 3.48Å; H177-I180 PolarHBondContact O-N 2.89Å; I180-L184 HydrophobicContact CB-CD1 4.38Å; I180-L184 HydrophobicContact CG2-CD1 3.63Å; I180-L184 WeakPolarHBondContact O-CB 3.35Å; I180-L184 PolarHBondContact O-N 2.81Å
181	C	26.7	Very low	27	Very low	40 Å²	40	92 Å²	92	27%	0.27	48%	0.482	S	S	.	.	H	α-helix	trans	-70.5	-46.8	-179.5	-67.9	0	0	0	0	113.5	Y157 H177 Y178 F179 G185	Y157-C181 PolarHBondContact OH-SG 3.49Å; H177-C181 WeakPolarHBondContact O-CB 3.49Å; H177-C181 PolarHBondContact O-N 3.33Å; H177-C181 PolarHBondContact O-SG 3.34Å; Y178-C181 PolarHBondContact O-N 3.19Å; F179-C181 VanDerWaalsContact C-N 3.27Å; F179-C181 PolarHBondContact O-N 2.93Å; C181-G185 PolarHBondContact O-N 3.14Å
182	Q	28.3	Very low	27.2	Very low	105 Å²	105	92 Å²	92	49%	0.491	47%	0.47	S	S	.	.	H	α-helix	trans	-70.2	-40.4	176.7	-71.9	-166.9	-6.1	0	0	111.9	Y178 S186	Y178-Q182 PolarHBondContact O-N 3.11Å; Q182-S186 PolarHBondContact O-N 2.88Å; Q182-S186 PolarHBondContact O-OG 3.45Å
183	G	25	Very low	27.4	Very low	21 Å²	21	89.2 Å²	89.2	22%	0.216	46%	0.456	C	S	.	.	H	α-helix	trans	-59.7	-62.7	173.4	0	0	0	0	0	111.2	F179 G185 S186 H187	F179-G183 PolarHBondContact O-N 2.95Å; G183-G185 VanDerWaalsContact C-N 3.34Å; G183-G185 PolarHBondContact O-N 2.84Å; G183-S186 PolarHBondContact O-N 2.83Å; G183-S186 PolarHBondContact O-OG 3.07Å; G183-H187 VanDerWaalsContact O-CB 3.3Å; G183-H187 WeakPolarHBondContact O-CB 3.41Å; G183-H187 PolarHBondContact O-CD2 3.35Å; G183-H187 VanDerWaalsContact O-CG 3.25Å; G183-H187 PolarHBondContact O-N 3.38Å
184	L	27.2	Very low	27.6	Very low	81 Å²	81	88.1 Å²	88.1	42%	0.424	45%	0.449	S	S	.	.	H	α-helix	trans	-72.5	-20.9	-175.6	-72.8	146.6	0	0	0	114.1	I180 I188	I180-L184 HydrophobicContact CB-CD1 4.38Å; I180-L184 HydrophobicContact CG2-CD1 3.63Å; I180-L184 WeakPolarHBondContact O-CB 3.35Å; I180-L184 PolarHBondContact O-N 2.81Å; L184-I188 HydrophobicContact CB-CD1 3.92Å; L184-I188 HydrophobicContact CB-CG1 4.16Å; L184-I188 HydrophobicContact CD2-CD1 4.11Å; L184-I188 HydrophobicContact CD2-CG1 3.92Å; L184-I188 WeakPolarHBondContact O-CA 3.25Å; L184-I188 WeakPolarHBondContact O-CB 3.19Å; L184-I188 WeakPolarHBondContact O-CG1 3.48Å; L184-I188 PolarHBondContact O-N 2.74Å
185	G	26.9	Very low	27.8	Very low	51 Å²	51	86.5 Å²	86.5	53%	0.526	44%	0.444	S	S	.	.	H	α-helix	trans	-60.6	-45.8	168.1	0	0	0	0	0	112.2	C181 G183 A189	C181-G185 PolarHBondContact O-N 3.14Å; G183-G185 VanDerWaalsContact C-N 3.34Å; G183-G185 PolarHBondContact O-N 2.84Å; G185-A189 WeakPolarHBondContact O-CB 3.27Å; G185-A189 PolarHBondContact O-N 2.82Å
186	S	27.4	Very low	28.1	Very low	61 Å²	61	83.6 Å²	83.6	43%	0.427	44%	0.438	S	S	.	.	H	α-helix	trans	-80.7	-43	177.9	58.6	0	0	0	0	112.6	Q182 G183 A189 L190	Q182-S186 PolarHBondContact O-N 2.88Å; Q182-S186 PolarHBondContact O-OG 3.45Å; G183-S186 PolarHBondContact O-N 2.83Å; G183-S186 PolarHBondContact O-OG 3.07Å; S186-A189 PolarHBondContact O-N 2.86Å; S186-L190 WeakPolarHBondContact O-CB 3.46Å; S186-L190 PolarHBondContact O-N 2.74Å
187	H	27.3	Very low	28.4	Very low	71 Å²	71	77.4 Å²	77.4	33%	0.329	42%	0.417	S	S	.	.	H	α-helix	trans	-65.9	-41	176.2	-64.6	-53.1	0	0	0	112.6	Y72 G183 A189 L190 L191	Y72-H187 AromaticContact CD1-CE1 3.72Å; Y72-H187 AromaticContact CE1-CE1 3.32Å; Y72-H187 WeakPolarHBondContact CE1-CE1 3.38Å; Y72-H187 AromaticContact CE1-ND1 3.19Å; Y72-H187 WeakPolarHBondContact CE1-ND1 3.49Å; Y72-H187 AromaticContact CE2-CE1 3.81Å; Y72-H187 AromaticContact CE2-ND1 3.99Å; Y72-H187 AromaticContact CZ-CE1 3.37Å; Y72-H187 AromaticContact CZ-ND1 3.16Å; Y72-H187 PolarHBondContact OH-ND1 3.49Å; G183-H187 VanDerWaalsContact O-CB 3.3Å; G183-H187 WeakPolarHBondContact O-CB 3.41Å; G183-H187 PolarHBondContact O-CD2 3.35Å; G183-H187 VanDerWaalsContact O-CG 3.25Å; G183-H187 PolarHBondContact O-N 3.38Å; H187-A189 VanDerWaalsContact C-N 3.33Å; H187-A189 PolarHBondContact O-N 2.76Å; H187-L190 PolarHBondContact O-N 3.21Å; H187-L191 WeakPolarHBondContact O-CA 3.46Å; H187-L191 WeakPolarHBondContact O-CB 3.23Å; H187-L191 PolarHBondContact O-N 3.31Å
188	I	27.8	Very low	28.5	Very low	77 Å²	77	75.6 Å²	75.6	40%	0.395	41%	0.412	S	S	.	.	H	α-helix	trans	-68.1	-36.2	177	-66.1	169.8	0	0	0	110.3	L184 N192	L184-I188 HydrophobicContact CB-CD1 3.92Å; L184-I188 HydrophobicContact CB-CG1 4.16Å; L184-I188 HydrophobicContact CD2-CD1 4.11Å; L184-I188 HydrophobicContact CD2-CG1 3.92Å; L184-I188 WeakPolarHBondContact O-CA 3.25Å; L184-I188 WeakPolarHBondContact O-CB 3.19Å; L184-I188 WeakPolarHBondContact O-CG1 3.48Å; L184-I188 PolarHBondContact O-N 2.74Å; I188-N192 VanDerWaalsContact CG2-ND2 3.32Å; I188-N192 WeakPolarHBondContact CG2-ND2 3.39Å; I188-N192 WeakPolarHBondContact O-CB 3.3Å; I188-N192 PolarHBondContact O-N 3.15Å; I188-N192 PolarHBondContact O-ND2 2.91Å
189	A	27.2	Very low	28.7	Very low	62 Å²	62	74.2 Å²	74.2	51%	0.512	41%	0.411	S	S	.	.	H	α-helix	trans	-64.8	-42.2	173.9	0	0	0	0	0	112.2	G185 S186 H187 V193	G185-A189 WeakPolarHBondContact O-CB 3.27Å; G185-A189 PolarHBondContact O-N 2.82Å; S186-A189 PolarHBondContact O-N 2.86Å; H187-A189 VanDerWaalsContact C-N 3.33Å; H187-A189 PolarHBondContact O-N 2.76Å; A189-V193 VanDerWaalsContact O-CG2 3.23Å; A189-V193 WeakPolarHBondContact O-CG2 3.04Å
190	L	29.1	Very low	29	Very low	80 Å²	80	69.4 Å²	69.4	42%	0.419	40%	0.399	S	S	.	.	H	α-helix	trans	-76.1	-40.8	177.9	-150.5	79.7	0	0	0	112.2	Y72 S186 H187 V193 M194	Y72-L190 HydrophobicContact CE1-CD2 4.21Å; Y72-L190 WeakPolarHBondContact OH-CD2 3.46Å; S186-L190 WeakPolarHBondContact O-CB 3.46Å; S186-L190 PolarHBondContact O-N 2.74Å; H187-L190 PolarHBondContact O-N 3.21Å; L190-V193 CarbonylContact O-C 3.58Å; L190-V193 WeakPolarHBondContact O-CB 3.5Å; L190-V193 PolarHBondContact O-N 3.42Å; L190-M194 HydrophobicContact CD2-SD 4.02Å; L190-M194 HydrophobicContact CG-SD 4.18Å; L190-M194 WeakPolarHBondContact O-CB 3.45Å; L190-M194 WeakPolarHBondContact O-CG 3.48Å; L190-M194 PolarHBondContact O-N 2.9Å
191	L	28.5	Very low	29.2	Very low	103 Å²	103	68 Å²	68	54%	0.539	39%	0.392	S	S	.	.	H	α-helix	trans	-68.5	-41.7	180	-172.6	74.1	0	0	0	111.1	H187 V193 M194 V195	H187-L191 WeakPolarHBondContact O-CA 3.46Å; H187-L191 WeakPolarHBondContact O-CB 3.23Å; H187-L191 PolarHBondContact O-N 3.31Å; L191-V193 PolarHBondContact O-N 3.17Å; L191-M194 PolarHBondContact O-N 3.05Å; L191-V195 HydrophobicContact CD1-CG2 4.1Å; L191-V195 HydrophobicContact CG-CG2 4.06Å; L191-V195 WeakPolarHBondContact O-CA 3.26Å; L191-V195 WeakPolarHBondContact O-CB 3.31Å; L191-V195 WeakPolarHBondContact O-CG2 3.2Å; L191-V195 PolarHBondContact O-N 3.08Å
192	N	31	Very low	29.3	Very low	98 Å²	98	69.5 Å²	69.5	52%	0.524	40%	0.4	S	S	.	.	H	α-helix	trans	-61.7	-30.8	172.7	-80.7	-28	0	0	0	111.9	I188 H196	I188-N192 VanDerWaalsContact CG2-ND2 3.32Å; I188-N192 WeakPolarHBondContact CG2-ND2 3.39Å; I188-N192 WeakPolarHBondContact O-CB 3.3Å; I188-N192 PolarHBondContact O-N 3.15Å; I188-N192 PolarHBondContact O-ND2 2.91Å; N192-H196 WeakPolarHBondContact O-CB 3.24Å; N192-H196 PolarHBondContact O-N 3.47Å
193	V	30.2	Very low	29.5	Very low	34 Å²	34	70.6 Å²	70.6	21%	0.206	40%	0.404	C	S	.	.	H	α-helix	trans	-78.1	-48	176.6	173.2	0	0	0	0	111.4	A189 L190 L191 V195 H196 V197 R266	A189-V193 VanDerWaalsContact O-CG2 3.23Å; A189-V193 WeakPolarHBondContact O-CG2 3.04Å; L190-V193 CarbonylContact O-C 3.58Å; L190-V193 WeakPolarHBondContact O-CB 3.5Å; L190-V193 PolarHBondContact O-N 3.42Å; L191-V193 PolarHBondContact O-N 3.17Å; V193-V195 VanDerWaalsContact C-N 3.26Å; V193-V195 PolarHBondContact O-N 3.03Å; V193-H196 PolarHBondContact O-N 3.25Å; V193-V197 HydrophobicContact CG1-CG2 4.4Å; V193-V197 VanDerWaalsContact O-CB 3.29Å; V193-V197 WeakPolarHBondContact O-CB 3.31Å; V193-V197 VanDerWaalsContact O-CG2 3.29Å; V193-V197 WeakPolarHBondContact O-CG2 3.46Å; V193-V197 PolarHBondContact O-N 2.81Å; V193-R266 VanDerWaalsContact CG2-CZ 3.4Å; V193-R266 VanDerWaalsContact CG2-NE 3.34Å
194	M	30.2	Very low	29.9	Very low	52 Å²	52	74.4 Å²	74.4	26%	0.256	42%	0.417	S	S	.	.	H	α-helix	trans	-64.9	-31.2	175.5	-67.3	179.8	84.6	0	0	111.4	L190 L191 A198 L220 F224	L190-M194 HydrophobicContact CD2-SD 4.02Å; L190-M194 HydrophobicContact CG-SD 4.18Å; L190-M194 WeakPolarHBondContact O-CB 3.45Å; L190-M194 WeakPolarHBondContact O-CG 3.48Å; L190-M194 PolarHBondContact O-N 2.9Å; L191-M194 PolarHBondContact O-N 3.05Å; M194-A198 WeakPolarHBondContact O-CA 2.76Å; M194-A198 WeakPolarHBondContact O-CB 3.27Å; M194-A198 PolarHBondContact O-N 3.17Å; M194-L220 HydrophobicContact CE-CD2 4.36Å; M194-F224 HydrophobicContact CE-CE1 4.4Å; M194-F224 HydrophobicContact CE-CE2 3.96Å; M194-F224 HydrophobicContact CE-CZ 3.62Å; M194-F224 HydrophobicContact SD-CZ 4.16Å
195	V	31.3	Very low	29.9	Very low	74 Å²	74	71.2 Å²	71.2	45%	0.448	40%	0.4	S	S	.	.	H	α-helix	trans	-77.7	-37.9	172.3	173	0	0	0	0	111.5	L191 V193 H199	L191-V195 HydrophobicContact CD1-CG2 4.1Å; L191-V195 HydrophobicContact CG-CG2 4.06Å; L191-V195 WeakPolarHBondContact O-CA 3.26Å; L191-V195 WeakPolarHBondContact O-CB 3.31Å; L191-V195 WeakPolarHBondContact O-CG2 3.2Å; L191-V195 PolarHBondContact O-N 3.08Å; V193-V195 VanDerWaalsContact C-N 3.26Å; V193-V195 PolarHBondContact O-N 3.03Å; V195-H199 WeakPolarHBondContact O-CA 3.3Å; V195-H199 WeakPolarHBondContact O-CB 2.84Å; V195-H199 PolarHBondContact O-N 2.72Å
196	H	33.3	Very low	30	Very low	131 Å²	131	73.5 Å²	73.5	61%	0.606	40%	0.404	S	S	*	.	H	α-helix	trans	-64.2	-46.3	171.4	-109.4	54.6	0	0	0	111.9	N192 V193 S200	N192-H196 WeakPolarHBondContact O-CB 3.24Å; N192-H196 PolarHBondContact O-N 3.47Å; V193-H196 PolarHBondContact O-N 3.25Å; H196-S200 VanDerWaalsContact O-CB 3.26Å; H196-S200 WeakPolarHBondContact O-CB 2.93Å; H196-S200 PolarHBondContact O-N 2.92Å; H196-S200 PolarHBondContact O-OG 2.79Å
197	V	31.8	Very low	30.4	Very low	31 Å²	31	77.4 Å²	77.4	19%	0.188	41%	0.413	C	S	.	.	H	α-helix	trans	-66.3	-47.7	178.9	171.8	0	0	0	0	110	V193 S200 L201 V258	V193-V197 HydrophobicContact CG1-CG2 4.4Å; V193-V197 VanDerWaalsContact O-CB 3.29Å; V193-V197 WeakPolarHBondContact O-CB 3.31Å; V193-V197 VanDerWaalsContact O-CG2 3.29Å; V193-V197 WeakPolarHBondContact O-CG2 3.46Å; V193-V197 PolarHBondContact O-N 2.81Å; V197-S200 PolarHBondContact O-N 2.91Å; V197-L201 HydrophobicContact CG1-CD1 3.58Å; V197-L201 HydrophobicContact CG1-CG 4.29Å; V197-L201 WeakPolarHBondContact O-CB 3.11Å; V197-L201 WeakPolarHBondContact O-CG 3.34Å; V197-L201 PolarHBondContact O-N 3.28Å; V197-V258 HydrophobicContact CG2-CG1 4.32Å
198	A	30.3	Very low	30.7	Very low	22 Å²	22	78.2 Å²	78.2	18%	0.182	42%	0.419	C	S	.	.	H	α-helix	trans	-67	-40.7	176	0	0	0	0	0	112.4	M194 S200 L201 V202 L220	M194-A198 WeakPolarHBondContact O-CA 2.76Å; M194-A198 WeakPolarHBondContact O-CB 3.27Å; M194-A198 PolarHBondContact O-N 3.17Å; A198-S200 VanDerWaalsContact C-N 3.35Å; A198-S200 PolarHBondContact O-N 3.4Å; A198-L201 PolarHBondContact O-N 3.03Å; A198-V202 WeakPolarHBondContact O-CA 3.36Å; A198-V202 WeakPolarHBondContact O-CB 3.42Å; A198-V202 WeakPolarHBondContact O-CG2 3.46Å; A198-V202 PolarHBondContact O-N 2.86Å; A198-L220 HydrophobicContact CB-CD1 4.29Å
199	H	32.7	Very low	31.1	Very low	129 Å²	129	77.3 Å²	77.3	60%	0.597	42%	0.417	S	S	*	.	H	α-helix	trans	-67.5	-36.3	178.5	-163.8	-82.7	0	0	0	111.3	V195 H203	V195-H199 WeakPolarHBondContact O-CA 3.3Å; V195-H199 WeakPolarHBondContact O-CB 2.84Å; V195-H199 PolarHBondContact O-N 2.72Å; H199-H203 WeakPolarHBondContact O-CB 2.9Å; H199-H203 PolarHBondContact O-N 3.44Å; H199-H203 VanDerWaalsContact O-N 3.07Å
200	S	31.4	Very low	31.5	Very low	70 Å²	70	79.7 Å²	79.7	49%	0.49	43%	0.428	S	S	.	.	H	α-helix	trans	-72	-39.7	174.3	-55.2	0	0	0	0	112.6	H196 V197 A198	H196-S200 VanDerWaalsContact O-CB 3.26Å; H196-S200 WeakPolarHBondContact O-CB 2.93Å; H196-S200 PolarHBondContact O-N 2.92Å; H196-S200 PolarHBondContact O-OG 2.79Å; V197-S200 PolarHBondContact O-N 2.91Å; A198-S200 VanDerWaalsContact C-N 3.35Å; A198-S200 PolarHBondContact O-N 3.4Å
201	L	29.3	Very low	31.8	Very low	35 Å²	35	83.4 Å²	83.4	18%	0.183	44%	0.443	C	S	.	.	H	α-helix	trans	-68	-54.4	175.4	-74.6	172.4	0	0	0	110.9	V197 A198 H203 E204 L205 I255	V197-L201 HydrophobicContact CG1-CD1 3.58Å; V197-L201 HydrophobicContact CG1-CG 4.29Å; V197-L201 WeakPolarHBondContact O-CB 3.11Å; V197-L201 WeakPolarHBondContact O-CG 3.34Å; V197-L201 PolarHBondContact O-N 3.28Å; A198-L201 PolarHBondContact O-N 3.03Å; L201-H203 VanDerWaalsContact C-N 3.34Å; L201-H203 PolarHBondContact O-N 2.89Å; L201-E204 PolarHBondContact O-N 2.89Å; L201-E204 VanDerWaalsContact O-N 3.16Å; L201-L205 HydrophobicContact CB-CD1 3.82Å; L201-L205 HydrophobicContact CD2-CD1 3.75Å; L201-L205 HydrophobicContact CG-CD1 4.35Å; L201-L205 WeakPolarHBondContact O-CB 3.22Å; L201-L205 WeakPolarHBondContact O-CD1 3.47Å; L201-L205 WeakPolarHBondContact O-CG 3.49Å; L201-L205 PolarHBondContact O-N 2.88Å; L201-I255 HydrophobicContact CD2-CG1 4.33Å
202	V	28.4	Very low	32.1	Very low	72 Å²	72	79 Å²	79	44%	0.436	42%	0.419	S	S	.	.	H	α-helix	trans	-58.8	-41.9	-179.5	171.5	0	0	0	0	111.4	A198 E204 L205 V206	A198-V202 WeakPolarHBondContact O-CA 3.36Å; A198-V202 WeakPolarHBondContact O-CB 3.42Å; A198-V202 WeakPolarHBondContact O-CG2 3.46Å; A198-V202 PolarHBondContact O-N 2.86Å; V202-E204 PolarHBondContact O-N 2.78Å; V202-L205 PolarHBondContact O-N 3.45Å; V202-V206 HydrophobicContact CG1-CG2 3.5Å; V202-V206 VanDerWaalsContact O-CB 3.23Å; V202-V206 WeakPolarHBondContact O-CB 3.45Å; V202-V206 WeakPolarHBondContact O-CG2 3.03Å; V202-V206 PolarHBondContact O-N 2.83Å
203	H	32.7	Very low	32.2	Very low	127 Å²	127	76.1 Å²	76.1	59%	0.588	41%	0.409	S	S	*	.	H	α-helix	trans	-68.2	-18.7	-178.9	-161.8	-68.8	0	0	0	113.8	H199 L201	H199-H203 WeakPolarHBondContact O-CB 2.9Å; H199-H203 PolarHBondContact O-N 3.44Å; H199-H203 VanDerWaalsContact O-N 3.07Å; L201-H203 VanDerWaalsContact C-N 3.34Å; L201-H203 PolarHBondContact O-N 2.89Å
204	E	33.2	Very low	32.5	Very low	102 Å²	102	77.3 Å²	77.3	48%	0.477	42%	0.422	S	S	.	.	H	α-helix	trans	-98.8	-32.3	169.3	-73.9	-55.9	127.1	0	0	113.5	L201 V202 K207	L201-E204 PolarHBondContact O-N 2.89Å; L201-E204 VanDerWaalsContact O-N 3.16Å; V202-E204 PolarHBondContact O-N 2.78Å; E204-K207 WeakPolarHBondContact O-CB 3.35Å; E204-K207 IonicContact OE1-NZ 3.39Å; E204-K207 PolarHBondContact OE1-NZ 2.7Å; E204-K207 IonicContact OE2-NZ 3.18Å; E204-K207 PolarHBondContact OE2-NZ 3Å
205	L	28.1	Very low	32.8	Very low	14 Å²	14	77.9 Å²	77.9	7%	0.073	42%	0.423	C	S	.	.	H	α-helix	trans	-94.2	-14.7	-170.4	-59.9	166.5	0	0	0	113.9	L201 V202 K207 L208 F212 I216 V251	L201-L205 HydrophobicContact CB-CD1 3.82Å; L201-L205 HydrophobicContact CD2-CD1 3.75Å; L201-L205 HydrophobicContact CG-CD1 4.35Å; L201-L205 WeakPolarHBondContact O-CB 3.22Å; L201-L205 WeakPolarHBondContact O-CD1 3.47Å; L201-L205 WeakPolarHBondContact O-CG 3.49Å; L201-L205 PolarHBondContact O-N 2.88Å; V202-L205 PolarHBondContact O-N 3.45Å; L205-K207 PolarHBondContact O-N 3.31Å; L205-K207 VanDerWaalsContact O-N 3.16Å; L205-L208 HydrophobicContact CD2-CD1 3.6Å; L205-L208 PolarHBondContact O-N 2.97Å; L205-F212 HydrophobicContact CB-CD1 4.26Å; L205-F212 HydrophobicContact CB-CE1 4.44Å; L205-F212 HydrophobicContact CD1-CE1 4.02Å; L205-F212 HydrophobicContact CD2-CD1 4.25Å; L205-F212 HydrophobicContact CD2-CE1 3.78Å; L205-F212 HydrophobicContact CG-CE1 4.28Å; L205-I216 HydrophobicContact CD1-CD1 3.44Å; L205-I216 VanDerWaalsContact CD1-CD1 3.44Å; L205-V251 HydrophobicContact CD2-CG2 4.33Å
206	V	29.4	Very low	33	Very low	99 Å²	99	75.2 Å²	75.2	60%	0.6	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-17.7	165.6	162.6	0	0	0	0	112	V202 L208	V202-V206 HydrophobicContact CG1-CG2 3.5Å; V202-V206 VanDerWaalsContact O-CB 3.23Å; V202-V206 WeakPolarHBondContact O-CB 3.45Å; V202-V206 WeakPolarHBondContact O-CG2 3.03Å; V202-V206 PolarHBondContact O-N 2.83Å; V206-L208 VanDerWaalsContact C-N 3.32Å
207	K	34.2	Very low	33.1	Very low	142 Å²	142	72.6 Å²	72.6	62%	0.617	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-13.7	171.9	-54.6	172.4	-164.7	164.3	0	113.7	E204 L205	E204-K207 WeakPolarHBondContact O-CB 3.35Å; E204-K207 IonicContact OE1-NZ 3.39Å; E204-K207 PolarHBondContact OE1-NZ 2.7Å; E204-K207 IonicContact OE2-NZ 3.18Å; E204-K207 PolarHBondContact OE2-NZ 3Å; L205-K207 PolarHBondContact O-N 3.31Å; L205-K207 VanDerWaalsContact O-N 3.16Å
208	L	33.8	Very low	33.4	Very low	89 Å²	89	77 Å²	77	47%	0.466	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-28.6	-159.4	-86.8	157.3	0	0	0	116.5	L205 V206 V251	L205-L208 HydrophobicContact CD2-CD1 3.6Å; L205-L208 PolarHBondContact O-N 2.97Å; V206-L208 VanDerWaalsContact C-N 3.32Å; L208-V251 HydrophobicContact CD1-CG2 4.04Å
209	T	38	Very low	33.6	Very low	58 Å²	58	77.6 Å²	77.6	36%	0.356	42%	0.419	S	S	.	.			trans	173.6	154.6	156.2	20.7	0	0	0	0	111.1	E211 F212 A213	T209-E211 PolarHBondContact O-N 3.41Å; T209-F212 PolarHBondContact O-N 3.11Å; T209-F212 WeakPolarHBondContact OG1-CB 3.04Å; T209-A213 PolarHBondContact O-N 3.38Å; T209-A213 VanDerWaalsContact O-N 3.09Å
210	P	34	Very low	33.6	Very low	112 Å²	112	74 Å²	74	73%	0.727	40%	0.404	S	S	*	.	H	α-helix	trans	-59.3	-36.4	167.7	-21.6	33.7	0	0	0	112.5	A213 A214	P210-A213 PolarHBondContact O-N 3.09Å; P210-A214 WeakPolarHBondContact O-CB 3.33Å; P210-A214 PolarHBondContact O-N 3.5Å
211	E	36.1	Very low	33.5	Very low	157 Å²	157	76 Å²	76	73%	0.734	41%	0.409	S	S	*	.	H	α-helix	trans	-64.3	-42.1	177.4	-63.8	172.4	178.1	0	0	111.8	T209 A214 F215	T209-E211 PolarHBondContact O-N 3.41Å; E211-A214 PolarHBondContact O-N 2.92Å; E211-F215 WeakPolarHBondContact O-CB 3.43Å; E211-F215 PolarHBondContact O-N 2.97Å
212	F	34.6	Very low	33.5	Very low	12 Å²	12	75.3 Å²	75.3	5%	0.053	41%	0.407	C	S	.	.	H	α-helix	trans	-70.1	-34.6	175.9	-159.3	-104.7	0	0	0	112.5	L205 T209 F215 I216 F246	L205-F212 HydrophobicContact CB-CD1 4.26Å; L205-F212 HydrophobicContact CB-CE1 4.44Å; L205-F212 HydrophobicContact CD1-CE1 4.02Å; L205-F212 HydrophobicContact CD2-CD1 4.25Å; L205-F212 HydrophobicContact CD2-CE1 3.78Å; L205-F212 HydrophobicContact CG-CE1 4.28Å; T209-F212 PolarHBondContact O-N 3.11Å; T209-F212 WeakPolarHBondContact OG1-CB 3.04Å; F212-F215 PolarHBondContact O-N 2.74Å; F212-I216 HydrophobicContact CD1-CD1 3.89Å; F212-I216 HydrophobicContact CD1-CG1 4.46Å; F212-I216 HydrophobicContact CE1-CD1 3.46Å; F212-I216 VanDerWaalsContact CE1-CD1 3.46Å; F212-I216 HydrophobicContact CE1-CG1 4.23Å; F212-I216 HydrophobicContact CZ-CD1 4.15Å; F212-I216 PolarHBondContact O-N 3.35Å; F212-F246 HydrophobicContact CD2-CD1 4.28Å; F212-F246 HydrophobicContact CD2-CD2 4.32Å; F212-F246 AromaticContact CD2-CE1 3.76Å; F212-F246 HydrophobicContact CD2-CE1 3.76Å; F212-F246 AromaticContact CD2-CE2 3.82Å; F212-F246 HydrophobicContact CD2-CE2 3.82Å; F212-F246 AromaticContact CD2-CZ 3.51Å; F212-F246 HydrophobicContact CD2-CZ 3.51Å; F212-F246 HydrophobicContact CE2-CD1 4.12Å; F212-F246 AromaticContact CE2-CD2 3.69Å; F212-F246 HydrophobicContact CE2-CD2 3.69Å; F212-F246 HydrophobicContact CE2-CE1 4.01Å; F212-F246 AromaticContact CE2-CE2 3.58Å; F212-F246 HydrophobicContact CE2-CE2 3.58Å; F212-F246 AromaticContact CE2-CG 3.98Å; F212-F246 HydrophobicContact CE2-CG 3.98Å; F212-F246 AromaticContact CE2-CZ 3.75Å; F212-F246 HydrophobicContact CE2-CZ 3.75Å
213	A	33	Very low	33.5	Very low	36 Å²	36	74.2 Å²	74.2	30%	0.298	40%	0.402	S	S	.	.	H	α-helix	trans	-65.7	-41.4	171.2	0	0	0	0	0	112	T209 P210 T217	T209-A213 PolarHBondContact O-N 3.38Å; T209-A213 VanDerWaalsContact O-N 3.09Å; P210-A213 PolarHBondContact O-N 3.09Å; A213-T217 VanDerWaalsContact O-CB 3.29Å; A213-T217 WeakPolarHBondContact O-CB 3.32Å; A213-T217 PolarHBondContact O-N 3.39Å; A213-T217 PolarHBondContact O-OG1 2.98Å
214	A	35.9	Very low	33.1	Very low	59 Å²	59	71.9 Å²	71.9	49%	0.488	39%	0.39	S	S	.	.	H	α-helix	trans	-65	-40.4	173.4	0	0	0	0	0	111.7	P210 E211 T217 H218	P210-A214 WeakPolarHBondContact O-CB 3.33Å; P210-A214 PolarHBondContact O-N 3.5Å; E211-A214 PolarHBondContact O-N 2.92Å; A214-T217 PolarHBondContact O-N 3.31Å; A214-H218 WeakPolarHBondContact O-CB 3.46Å; A214-H218 PolarHBondContact O-N 3.08Å
215	F	36.8	Very low	32.8	Very low	65 Å²	65	70.5 Å²	70.5	29%	0.285	39%	0.386	S	S	.	.	H	α-helix	trans	-64.8	-46.7	175.5	176.6	-102	0	0	0	112.3	E211 F212 T217 H218 V219 L242	E211-F215 WeakPolarHBondContact O-CB 3.43Å; E211-F215 PolarHBondContact O-N 2.97Å; F212-F215 PolarHBondContact O-N 2.74Å; F215-T217 VanDerWaalsContact C-N 3.31Å; F215-T217 PolarHBondContact O-N 2.92Å; F215-H218 CarbonylContact O-C 3.57Å; F215-H218 WeakPolarHBondContact O-CB 3.41Å; F215-H218 PolarHBondContact O-N 3.48Å; F215-H218 VanDerWaalsContact O-N 3.14Å; F215-V219 HydrophobicContact CD1-CG2 4.28Å; F215-V219 HydrophobicContact CD2-CG2 4.32Å; F215-V219 HydrophobicContact CE1-CG2 3.76Å; F215-V219 HydrophobicContact CE2-CG2 3.8Å; F215-V219 HydrophobicContact CZ-CG2 3.48Å; F215-V219 VanDerWaalsContact CZ-CG2 3.48Å; F215-V219 WeakPolarHBondContact O-CG2 3.08Å; F215-V219 PolarHBondContact O-N 2.86Å; F215-L242 HydrophobicContact CE2-CD1 3.94Å; F215-L242 HydrophobicContact CZ-CD1 3.61Å
216	I	36	Very low	32.9	Very low	18 Å²	18	74.2 Å²	74.2	9%	0.092	41%	0.406	C	S	.	.	H	α-helix	trans	-64.8	-37.6	175.2	-78.7	-179.4	0	0	0	111.2	L205 F212 H218 V219 L220	L205-I216 HydrophobicContact CD1-CD1 3.44Å; L205-I216 VanDerWaalsContact CD1-CD1 3.44Å; F212-I216 HydrophobicContact CD1-CD1 3.89Å; F212-I216 HydrophobicContact CD1-CG1 4.46Å; F212-I216 HydrophobicContact CE1-CD1 3.46Å; F212-I216 VanDerWaalsContact CE1-CD1 3.46Å; F212-I216 HydrophobicContact CE1-CG1 4.23Å; F212-I216 HydrophobicContact CZ-CD1 4.15Å; F212-I216 PolarHBondContact O-N 3.35Å; I216-H218 VanDerWaalsContact C-N 3.33Å; I216-H218 PolarHBondContact O-N 3.3Å; I216-V219 PolarHBondContact O-N 2.95Å; I216-L220 HydrophobicContact CG2-CD1 3.78Å; I216-L220 HydrophobicContact CG2-CG 4.31Å; I216-L220 VanDerWaalsContact O-CB 3.31Å; I216-L220 WeakPolarHBondContact O-CB 3.46Å; I216-L220 VanDerWaalsContact O-CG 3.25Å; I216-L220 WeakPolarHBondContact O-CG 3.49Å; I216-L220 PolarHBondContact O-N 3.28Å
217	T	35.3	Very low	33	Very low	75 Å²	75	70.7 Å²	70.7	46%	0.46	39%	0.385	S	S	.	.	H	α-helix	trans	-61.3	-43.2	171.9	-58	0	0	0	0	110.7	A213 A214 F215 L220 L221	A213-T217 VanDerWaalsContact O-CB 3.29Å; A213-T217 WeakPolarHBondContact O-CB 3.32Å; A213-T217 PolarHBondContact O-N 3.39Å; A213-T217 PolarHBondContact O-OG1 2.98Å; A214-T217 PolarHBondContact O-N 3.31Å; F215-T217 VanDerWaalsContact C-N 3.31Å; F215-T217 PolarHBondContact O-N 2.92Å; T217-L220 PolarHBondContact O-N 2.79Å; T217-L221 HydrophobicContact CG2-CD1 3.82Å; T217-L221 HydrophobicContact CG2-CG 4.39Å; T217-L221 VanDerWaalsContact O-CB 3.28Å; T217-L221 WeakPolarHBondContact O-CB 3.4Å; T217-L221 WeakPolarHBondContact O-CG 3.33Å; T217-L221 PolarHBondContact O-N 2.87Å
218	H	39.1	Very low	32.9	Very low	125 Å²	125	68.3 Å²	68.3	58%	0.579	38%	0.383	S	S	*	.	H	α-helix	trans	-65.6	-40.9	176.3	-174.2	-79.6	0	0	0	112.7	A214 F215 I216 L221 S222	A214-H218 WeakPolarHBondContact O-CB 3.46Å; A214-H218 PolarHBondContact O-N 3.08Å; F215-H218 CarbonylContact O-C 3.57Å; F215-H218 WeakPolarHBondContact O-CB 3.41Å; F215-H218 PolarHBondContact O-N 3.48Å; F215-H218 VanDerWaalsContact O-N 3.14Å; I216-H218 VanDerWaalsContact C-N 3.33Å; I216-H218 PolarHBondContact O-N 3.3Å; H218-L221 PolarHBondContact O-N 2.87Å; H218-S222 VanDerWaalsContact O-CB 3.28Å; H218-S222 WeakPolarHBondContact O-CB 2.91Å; H218-S222 PolarHBondContact O-N 3.39Å; H218-S222 PolarHBondContact O-OG 2.71Å
219	V	34	Very low	33	Very low	33 Å²	33	70.1 Å²	70.1	20%	0.2	39%	0.392	C	S	.	.	H	α-helix	trans	-69	-41.1	176.4	172.9	0	0	0	0	111.2	F215 I216 S223 M239	F215-V219 HydrophobicContact CD1-CG2 4.28Å; F215-V219 HydrophobicContact CD2-CG2 4.32Å; F215-V219 HydrophobicContact CE1-CG2 3.76Å; F215-V219 HydrophobicContact CE2-CG2 3.8Å; F215-V219 HydrophobicContact CZ-CG2 3.48Å; F215-V219 VanDerWaalsContact CZ-CG2 3.48Å; F215-V219 WeakPolarHBondContact O-CG2 3.08Å; F215-V219 PolarHBondContact O-N 2.86Å; I216-V219 PolarHBondContact O-N 2.95Å; V219-S223 WeakPolarHBondContact O-CB 3.48Å; V219-S223 PolarHBondContact O-N 3.07Å; V219-S223 PolarHBondContact O-OG 2.9Å; V219-M239 HydrophobicContact CG1-CE 3.97Å; V219-M239 HydrophobicContact CG1-SD 4.15Å
220	L	32.7	Very low	33.2	Very low	53 Å²	53	72.7 Å²	72.7	28%	0.277	40%	0.4	S	S	.	.	H	α-helix	trans	-61.8	-46.4	172.7	-73.7	168.5	0	0	0	111	M194 A198 I216 T217 S223 F224	M194-L220 HydrophobicContact CE-CD2 4.36Å; A198-L220 HydrophobicContact CB-CD1 4.29Å; I216-L220 HydrophobicContact CG2-CD1 3.78Å; I216-L220 HydrophobicContact CG2-CG 4.31Å; I216-L220 VanDerWaalsContact O-CB 3.31Å; I216-L220 WeakPolarHBondContact O-CB 3.46Å; I216-L220 VanDerWaalsContact O-CG 3.25Å; I216-L220 WeakPolarHBondContact O-CG 3.49Å; I216-L220 PolarHBondContact O-N 3.28Å; T217-L220 PolarHBondContact O-N 2.79Å; L220-S223 WeakPolarHBondContact O-CB 3.35Å; L220-S223 PolarHBondContact O-N 3.33Å; L220-F224 WeakPolarHBondContact O-CD2 3.49Å; L220-F224 VanDerWaalsContact O-CE2 3.22Å; L220-F224 WeakPolarHBondContact O-CE2 3.13Å
221	L	29.4	Very low	33.6	Very low	114 Å²	114	69.4 Å²	69.4	60%	0.597	38%	0.375	S	S	*	.	H	α-helix	trans	-65.6	-43.9	178.1	-73.2	170.5	0	0	0	112.8	T217 H218 S223 F224	T217-L221 HydrophobicContact CG2-CD1 3.82Å; T217-L221 HydrophobicContact CG2-CG 4.39Å; T217-L221 VanDerWaalsContact O-CB 3.28Å; T217-L221 WeakPolarHBondContact O-CB 3.4Å; T217-L221 WeakPolarHBondContact O-CG 3.33Å; T217-L221 PolarHBondContact O-N 2.87Å; H218-L221 PolarHBondContact O-N 2.87Å; L221-S223 PolarHBondContact O-N 2.87Å; L221-F224 WeakPolarHBondContact O-CB 3.24Å; L221-F224 WeakPolarHBondContact O-CD2 3.35Å; L221-F224 PolarHBondContact O-N 3.21Å; L221-F224 VanDerWaalsContact O-N 3.12Å
222	S	28.5	Very low	33.7	Very low	20 Å²	20	65.8 Å²	65.8	14%	0.14	36%	0.358	C	S	.	.	H	α-helix	trans	-78.2	-1.3	177.7	60.9	0	0	0	0	113.9	H218 F224 R235	H218-S222 VanDerWaalsContact O-CB 3.28Å; H218-S222 WeakPolarHBondContact O-CB 2.91Å; H218-S222 PolarHBondContact O-N 3.39Å; H218-S222 PolarHBondContact O-OG 2.71Å; S222-F224 VanDerWaalsContact C-N 3.28Å; S222-R235 PolarHBondContact O-NH1 2.65Å
223	S	27.7	Very low	34.1	Very low	48 Å²	48	69.7 Å²	69.7	34%	0.336	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-10.2	164.1	-61.1	0	0	0	0	112.9	V219 L220 L221	V219-S223 WeakPolarHBondContact O-CB 3.48Å; V219-S223 PolarHBondContact O-N 3.07Å; V219-S223 PolarHBondContact O-OG 2.9Å; L220-S223 WeakPolarHBondContact O-CB 3.35Å; L220-S223 PolarHBondContact O-N 3.33Å; L221-S223 PolarHBondContact O-N 2.87Å
224	F	25.6	Very low	35	Very low	78 Å²	78	73 Å²	73	34%	0.342	38%	0.379	S	S	.	.	S	Bend	trans	-91.5	-8.7	172.3	-63	-88.5	0	0	0	113.4	M194 L220 L221 S222	M194-F224 HydrophobicContact CE-CE1 4.4Å; M194-F224 HydrophobicContact CE-CE2 3.96Å; M194-F224 HydrophobicContact CE-CZ 3.62Å; M194-F224 HydrophobicContact SD-CZ 4.16Å; L220-F224 WeakPolarHBondContact O-CD2 3.49Å; L220-F224 VanDerWaalsContact O-CE2 3.22Å; L220-F224 WeakPolarHBondContact O-CE2 3.13Å; L221-F224 WeakPolarHBondContact O-CB 3.24Å; L221-F224 WeakPolarHBondContact O-CD2 3.35Å; L221-F224 PolarHBondContact O-N 3.21Å; L221-F224 VanDerWaalsContact O-N 3.12Å; S222-F224 VanDerWaalsContact C-N 3.28Å
225	D	26.7	Very low	35.3	Very low	73 Å²	73	73.7 Å²	73.7	39%	0.39	37%	0.369	S	S	.	.	S	Bend	trans	-76.2	157.4	172.9	-82.5	-46.9	0	0	0	112	V71 V227	V71-D225 WeakPolarHBondContact CG2-O 3.43Å; D225-V227 WeakPolarHBondContact O-CG2 3.3Å; D225-V227 PolarHBondContact O-N 3.03Å
226	N	29.4	Very low	35.6	Very low	92 Å²	92	75.4 Å²	75.4	49%	0.492	38%	0.381	S	S	.	.			trans	-72.4	69.2	-172.4	-60.3	-27.1	0	0	0	113.6	V70 V71	V70-N226 WeakPolarHBondContact CB-OD1 3.18Å; V70-N226 HydrophobicContact CG1-CB 4.1Å; V70-N226 WeakPolarHBondContact CG1-OD1 3.37Å; V71-N226 PolarHBondContact N-OD1 2.84Å
227	V	31.5	Very low	36.3	Very low	26 Å²	26	79.1 Å²	79.1	16%	0.158	40%	0.398	C	S	.	.			trans	-83.1	117.4	-177.4	168.9	0	0	0	0	110	D225 E231 H232 R235	D225-V227 WeakPolarHBondContact O-CG2 3.3Å; D225-V227 PolarHBondContact O-N 3.03Å; V227-E231 HydrophobicContact CB-CG 4.13Å; V227-E231 HydrophobicContact CG1-CB 3.78Å; V227-E231 HydrophobicContact CG1-CG 3.6Å; V227-E231 HydrophobicContact CG2-CG 3.97Å; V227-H232 VanDerWaalsContact CG1-CA 3.43Å; V227-H232 HydrophobicContact CG1-CB 3.53Å; V227-H232 WeakPolarHBondContact CG1-ND1 3.07Å; V227-R235 VanDerWaalsContact CG2-NH1 3.29Å
228	T	33.3	Very low	36.8	Very low	92 Å²	92	79 Å²	79	56%	0.564	39%	0.392	S	S	*	.			trans	-64.2	162.5	170.7	66.2	0	0	0	0	110.8	E230 E231 H232	T228-E230 PolarHBondContact O-N 2.76Å; T228-E231 CarbonylContact O-C 3.59Å; T228-E231 PolarHBondContact O-N 3.02Å; T228-E231 VanDerWaalsContact O-N 3.07Å; T228-E231 WeakPolarHBondContact OG1-CB 3.09Å; T228-E231 PolarHBondContact OG1-N 2.78Å; T228-E231 VanDerWaalsContact OG1-N 3.14Å; T228-H232 PolarHBondContact O-N 3.47Å
229	L	35.7	Very low	36.8	Very low	127 Å²	127	75.8 Å²	75.8	67%	0.665	38%	0.378	S	S	*	.	H	α-helix	trans	-56.2	-37.2	178.1	-177	63.7	0	0	0	112.6	H232 K233	L229-H232 PolarHBondContact O-N 3.24Å; L229-K233 WeakPolarHBondContact O-CG 3.16Å; L229-K233 PolarHBondContact O-N 2.82Å
230	E	42	Very low	37.3	Very low	111 Å²	111	78.5 Å²	78.5	52%	0.519	39%	0.389	S	S	.	.	H	α-helix	trans	-74.1	-35.2	176.1	-56.5	-46.9	124.6	0	0	112.8	T228 H232 K233 R234	T228-E230 PolarHBondContact O-N 2.76Å; E230-H232 VanDerWaalsContact C-N 3.31Å; E230-K233 PolarHBondContact O-N 3.35Å; E230-K233 IonicContact OE1-NZ 3.79Å; E230-K233 PolarHBondContact OE1-NZ 3.49Å; E230-K233 WeakPolarHBondContact OE2-CD 3.48Å; E230-K233 IonicContact OE2-NZ 2.86Å; E230-K233 PolarHBondContact OE2-NZ 2.66Å; E230-R234 WeakPolarHBondContact O-CB 3.42Å; E230-R234 PolarHBondContact O-N 2.87Å
231	E	42.9	Very low	38	Very low	43 Å²	43	80.7 Å²	80.7	20%	0.201	40%	0.396	C	S	.	.	H	α-helix	trans	-67.5	-32.1	170.1	175.2	81.8	-154.7	0	0	110.9	V227 T228 R234 R235	V227-E231 HydrophobicContact CB-CG 4.13Å; V227-E231 HydrophobicContact CG1-CB 3.78Å; V227-E231 HydrophobicContact CG1-CG 3.6Å; V227-E231 HydrophobicContact CG2-CG 3.97Å; T228-E231 CarbonylContact O-C 3.59Å; T228-E231 PolarHBondContact O-N 3.02Å; T228-E231 VanDerWaalsContact O-N 3.07Å; T228-E231 WeakPolarHBondContact OG1-CB 3.09Å; T228-E231 PolarHBondContact OG1-N 2.78Å; T228-E231 VanDerWaalsContact OG1-N 3.14Å; E231-R234 PolarHBondContact O-N 2.98Å; E231-R234 IonicContact OE1-CZ 2.66Å; E231-R234 IonicContact OE1-NH1 2.65Å; E231-R234 IonicContact OE1-NH2 3.08Å; E231-R234 PolarHBondContact OE1-NH2 2.85Å; E231-R234 IonicContact OE2-CZ 2.86Å; E231-R234 IonicContact OE2-NH1 3.29Å; E231-R234 PolarHBondContact OE2-NH1 3.15Å; E231-R234 IonicContact OE2-NH2 3.39Å; E231-R234 PolarHBondContact OE2-NH2 3.43Å; E231-R235 WeakPolarHBondContact O-CB 3.27Å; E231-R235 VanDerWaalsContact O-CG 3.26Å; E231-R235 WeakPolarHBondContact O-CG 3.43Å; E231-R235 PolarHBondContact O-N 2.73Å; E231-R235 IonicContact OE1-CZ 3.68Å; E231-R235 VanDerWaalsContact OE1-CZ 3.24Å; E231-R235 IonicContact OE1-NE 2.79Å; E231-R235 PolarHBondContact OE1-NE 3.32Å; E231-R235 IonicContact OE1-NH2 2.65Å; E231-R235 PolarHBondContact OE1-NH2 3.34Å
232	H	38.6	Very low	38.3	Very low	82 Å²	82	78.5 Å²	78.5	38%	0.38	38%	0.384	S	S	.	.	H	α-helix	trans	-72.6	-39.2	175.9	-134.2	63.7	0	0	0	111	V227 T228 L229 E230 L236	V227-H232 VanDerWaalsContact CG1-CA 3.43Å; V227-H232 HydrophobicContact CG1-CB 3.53Å; V227-H232 WeakPolarHBondContact CG1-ND1 3.07Å; T228-H232 PolarHBondContact O-N 3.47Å; L229-H232 PolarHBondContact O-N 3.24Å; E230-H232 VanDerWaalsContact C-N 3.31Å; H232-L236 WeakPolarHBondContact O-CB 3.06Å; H232-L236 WeakPolarHBondContact O-CG 3.1Å; H232-L236 PolarHBondContact O-N 2.88Å
233	K	42	Very low	38.6	Very low	93 Å²	93	78.3 Å²	78.3	40%	0.404	38%	0.383	S	S	.	.	H	α-helix	trans	-61.2	-48.8	167.6	-75.6	161.4	164.9	179	0	111.2	L229 E230 R235 L236 E237	L229-K233 WeakPolarHBondContact O-CG 3.16Å; L229-K233 PolarHBondContact O-N 2.82Å; E230-K233 PolarHBondContact O-N 3.35Å; E230-K233 IonicContact OE1-NZ 3.79Å; E230-K233 PolarHBondContact OE1-NZ 3.49Å; E230-K233 WeakPolarHBondContact OE2-CD 3.48Å; E230-K233 IonicContact OE2-NZ 2.86Å; E230-K233 PolarHBondContact OE2-NZ 2.66Å; K233-R235 VanDerWaalsContact C-N 3.31Å; K233-R235 PolarHBondContact O-N 3.08Å; K233-L236 CarbonylContact O-C 3.24Å; K233-L236 WeakPolarHBondContact O-CB 2.83Å; K233-L236 PolarHBondContact O-N 3.11Å; K233-L236 VanDerWaalsContact O-N 3.12Å; K233-E237 WeakPolarHBondContact O-CG 3.24Å; K233-E237 PolarHBondContact O-N 3.06Å
234	R	51.5	Low	39.2	Very low	105 Å²	105	81.5 Å²	81.5	40%	0.396	39%	0.39	S	S	.	.	H	α-helix	trans	-61.3	-40.2	179.3	-155.8	-168.9	79.4	-115.6	-24.2	111.2	E230 E231 E237 E238	E230-R234 WeakPolarHBondContact O-CB 3.42Å; E230-R234 PolarHBondContact O-N 2.87Å; E231-R234 PolarHBondContact O-N 2.98Å; E231-R234 IonicContact OE1-CZ 2.66Å; E231-R234 IonicContact OE1-NH1 2.65Å; E231-R234 IonicContact OE1-NH2 3.08Å; E231-R234 PolarHBondContact OE1-NH2 2.85Å; E231-R234 IonicContact OE2-CZ 2.86Å; E231-R234 IonicContact OE2-NH1 3.29Å; E231-R234 PolarHBondContact OE2-NH1 3.15Å; E231-R234 IonicContact OE2-NH2 3.39Å; E231-R234 PolarHBondContact OE2-NH2 3.43Å; R234-E237 CarbonylContact O-C 3.55Å; R234-E237 PolarHBondContact O-N 2.76Å; R234-E238 IonicContact CZ-OE1 3.48Å; R234-E238 IonicContact NE-OE1 3.83Å; R234-E238 PolarHBondContact NE-OE1 3.46Å; R234-E238 IonicContact NH2-OE1 3.26Å; R234-E238 PolarHBondContact NH2-OE1 3.48Å; R234-E238 IonicContact NH2-OE2 2.65Å; R234-E238 WeakPolarHBondContact O-CB 2.88Å; R234-E238 VanDerWaalsContact O-CG 3.22Å; R234-E238 WeakPolarHBondContact O-CG 3.48Å; R234-E238 PolarHBondContact O-N 3.49Å
235	R	42.2	Very low	39.9	Very low	74 Å²	74	84.9 Å²	84.9	28%	0.279	41%	0.407	S	S	.	.	H	α-helix	trans	-68.9	-36	173.3	-73.5	178.8	-167.5	-160.2	4.2	113	S222 V227 E231 K233 E238 M239	S222-R235 PolarHBondContact O-NH1 2.65Å; V227-R235 VanDerWaalsContact CG2-NH1 3.29Å; E231-R235 WeakPolarHBondContact O-CB 3.27Å; E231-R235 VanDerWaalsContact O-CG 3.26Å; E231-R235 WeakPolarHBondContact O-CG 3.43Å; E231-R235 PolarHBondContact O-N 2.73Å; E231-R235 IonicContact OE1-CZ 3.68Å; E231-R235 VanDerWaalsContact OE1-CZ 3.24Å; E231-R235 IonicContact OE1-NE 2.79Å; E231-R235 PolarHBondContact OE1-NE 3.32Å; E231-R235 IonicContact OE1-NH2 2.65Å; E231-R235 PolarHBondContact OE1-NH2 3.34Å; K233-R235 VanDerWaalsContact C-N 3.31Å; K233-R235 PolarHBondContact O-N 3.08Å; R235-E238 PolarHBondContact O-N 2.87Å; R235-M239 WeakPolarHBondContact O-CB 3.22Å; R235-M239 PolarHBondContact O-N 2.8Å
236	L	43.8	Very low	40.1	Very low	101 Å²	101	85.7 Å²	85.7	53%	0.529	41%	0.407	S	S	.	.	H	α-helix	trans	-63.9	-40.5	170.2	-87.6	161.4	0	0	0	111.5	H232 K233 M239 E240	H232-L236 WeakPolarHBondContact O-CB 3.06Å; H232-L236 WeakPolarHBondContact O-CG 3.1Å; H232-L236 PolarHBondContact O-N 2.88Å; K233-L236 CarbonylContact O-C 3.24Å; K233-L236 WeakPolarHBondContact O-CB 2.83Å; K233-L236 PolarHBondContact O-N 3.11Å; K233-L236 VanDerWaalsContact O-N 3.12Å; L236-M239 PolarHBondContact O-N 3.44Å; L236-E240 WeakPolarHBondContact O-CB 3.44Å; L236-E240 PolarHBondContact O-N 3.22Å
237	E	49.6	Very low	40.4	Very low	97 Å²	97	88.5 Å²	88.5	45%	0.453	42%	0.422	S	S	.	.	H	α-helix	trans	-69.1	-39.1	173.6	-72	-178.1	-155.9	0	0	112.9	K233 R234 E240 K241	K233-E237 WeakPolarHBondContact O-CG 3.24Å; K233-E237 PolarHBondContact O-N 3.06Å; R234-E237 CarbonylContact O-C 3.55Å; R234-E237 PolarHBondContact O-N 2.76Å; E237-E240 PolarHBondContact O-N 3.08Å; E237-K241 VanDerWaalsContact O-CB 3.3Å; E237-K241 WeakPolarHBondContact O-CB 3.21Å; E237-K241 VanDerWaalsContact O-CD 3.23Å; E237-K241 WeakPolarHBondContact O-CD 3.26Å; E237-K241 WeakPolarHBondContact O-CG 3.47Å; E237-K241 PolarHBondContact O-N 3.32Å; E237-K241 IonicContact OE2-NZ 2.79Å; E237-K241 PolarHBondContact OE2-NZ 2.95Å
238	E	47.6	Very low	40.7	Very low	71 Å²	71	89.1 Å²	89.1	33%	0.332	43%	0.427	S	S	.	.	H	α-helix	trans	-63.3	-42.9	172.9	-76.5	161.9	-172.6	0	0	110.5	R234 R235 E240 K241 L242	R234-E238 IonicContact CZ-OE1 3.48Å; R234-E238 IonicContact NE-OE1 3.83Å; R234-E238 PolarHBondContact NE-OE1 3.46Å; R234-E238 IonicContact NH2-OE1 3.26Å; R234-E238 PolarHBondContact NH2-OE1 3.48Å; R234-E238 IonicContact NH2-OE2 2.65Å; R234-E238 WeakPolarHBondContact O-CB 2.88Å; R234-E238 VanDerWaalsContact O-CG 3.22Å; R234-E238 WeakPolarHBondContact O-CG 3.48Å; R234-E238 PolarHBondContact O-N 3.49Å; R235-E238 PolarHBondContact O-N 2.87Å; E238-E240 VanDerWaalsContact C-N 3.35Å; E238-K241 CarbonylContact O-C 3.58Å; E238-K241 PolarHBondContact O-N 2.74Å; E238-L242 WeakPolarHBondContact O-CB 3.44Å; E238-L242 WeakPolarHBondContact O-CG 3.36Å; E238-L242 PolarHBondContact O-N 2.95Å
239	M	38.9	Very low	40.9	Very low	58 Å²	58	89.4 Å²	89.4	29%	0.286	43%	0.431	S	S	.	.	H	α-helix	trans	-66.8	-35.4	174.5	-164.1	173.9	-165.4	0	0	111.3	V219 R235 L236 L242 V243	V219-M239 HydrophobicContact CG1-CE 3.97Å; V219-M239 HydrophobicContact CG1-SD 4.15Å; R235-M239 WeakPolarHBondContact O-CB 3.22Å; R235-M239 PolarHBondContact O-N 2.8Å; L236-M239 PolarHBondContact O-N 3.44Å; M239-L242 PolarHBondContact O-N 3.46Å; M239-V243 VanDerWaalsContact O-CB 3.25Å; M239-V243 WeakPolarHBondContact O-CB 3.31Å; M239-V243 WeakPolarHBondContact O-CG2 3.13Å; M239-V243 PolarHBondContact O-N 2.91Å
240	E	44.4	Very low	40.8	Very low	90 Å²	90	89.5 Å²	89.5	42%	0.421	43%	0.431	S	S	.	.	H	α-helix	trans	-71.3	-35.8	171.8	-158	-166.3	144.3	0	0	112	L236 E237 E238 K244	L236-E240 WeakPolarHBondContact O-CB 3.44Å; L236-E240 PolarHBondContact O-N 3.22Å; E237-E240 PolarHBondContact O-N 3.08Å; E238-E240 VanDerWaalsContact C-N 3.35Å; E240-K244 WeakPolarHBondContact O-CB 3.4Å; E240-K244 WeakPolarHBondContact O-CD 3.36Å; E240-K244 WeakPolarHBondContact O-CG 3.48Å; E240-K244 PolarHBondContact O-N 3.3Å; E240-K244 WeakPolarHBondContact OE1-CE 3.38Å; E240-K244 IonicContact OE1-NZ 3.87Å; E240-K244 PolarHBondContact OE1-NZ 3.3Å
241	K	47.3	Very low	40.3	Very low	100 Å²	100	84.9 Å²	84.9	44%	0.435	41%	0.41	S	S	.	.	H	α-helix	trans	-66.6	-37.3	173	-72.2	155.6	-163.9	159.7	0	111	E237 E238 K244 H245	E237-K241 VanDerWaalsContact O-CB 3.3Å; E237-K241 WeakPolarHBondContact O-CB 3.21Å; E237-K241 VanDerWaalsContact O-CD 3.23Å; E237-K241 WeakPolarHBondContact O-CD 3.26Å; E237-K241 WeakPolarHBondContact O-CG 3.47Å; E237-K241 PolarHBondContact O-N 3.32Å; E237-K241 IonicContact OE2-NZ 2.79Å; E237-K241 PolarHBondContact OE2-NZ 2.95Å; E238-K241 CarbonylContact O-C 3.58Å; E238-K241 PolarHBondContact O-N 2.74Å; K241-K244 CarbonylContact O-C 3.36Å; K241-K244 WeakPolarHBondContact O-CB 3.05Å; K241-K244 PolarHBondContact O-N 2.72Å; K241-H245 PolarHBondContact O-N 3.49Å; K241-H245 PolarHBondContact O-ND1 3.21Å
242	L	35.9	Very low	40	Very low	67 Å²	67	84.4 Å²	84.4	35%	0.351	41%	0.409	S	S	.	.	H	α-helix	trans	-75.5	-38	174.7	-75	163.8	0	0	0	112.3	F215 E238 M239 K244 H245 F246	F215-L242 HydrophobicContact CE2-CD1 3.94Å; F215-L242 HydrophobicContact CZ-CD1 3.61Å; E238-L242 WeakPolarHBondContact O-CB 3.44Å; E238-L242 WeakPolarHBondContact O-CG 3.36Å; E238-L242 PolarHBondContact O-N 2.95Å; M239-L242 PolarHBondContact O-N 3.46Å; L242-K244 PolarHBondContact O-N 3.37Å; L242-H245 CarbonylContact O-C 3.58Å; L242-H245 WeakPolarHBondContact O-CA 3.38Å; L242-H245 WeakPolarHBondContact O-CB 3.47Å; L242-H245 PolarHBondContact O-N 2.62Å; L242-F246 WeakPolarHBondContact O-CD2 3.28Å; L242-F246 PolarHBondContact O-N 2.8Å
243	V	34.4	Very low	40.2	Very low	17 Å²	17	87.6 Å²	87.6	10%	0.103	42%	0.424	C	S	.	.	H	α-helix	trans	-67.8	-13.7	169.3	168.6	0	0	0	0	112.1	M239 N252 I255	M239-V243 VanDerWaalsContact O-CB 3.25Å; M239-V243 WeakPolarHBondContact O-CB 3.31Å; M239-V243 WeakPolarHBondContact O-CG2 3.13Å; M239-V243 PolarHBondContact O-N 2.91Å; V243-N252 HydrophobicContact CG1-CB 4.24Å; V243-N252 WeakPolarHBondContact CG1-ND2 3.4Å; V243-N252 PolarHBondContact O-ND2 3.08Å; V243-I255 HydrophobicContact CG2-CD1 4.36Å
244	K	39.6	Very low	39.8	Very low	115 Å²	115	86.6 Å²	86.6	50%	0.5	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-5.6	164.2	-71.5	163.8	-172.9	165.4	0	114.3	E240 K241 L242	E240-K244 WeakPolarHBondContact O-CB 3.4Å; E240-K244 WeakPolarHBondContact O-CD 3.36Å; E240-K244 WeakPolarHBondContact O-CG 3.48Å; E240-K244 PolarHBondContact O-N 3.3Å; E240-K244 WeakPolarHBondContact OE1-CE 3.38Å; E240-K244 IonicContact OE1-NZ 3.87Å; E240-K244 PolarHBondContact OE1-NZ 3.3Å; K241-K244 CarbonylContact O-C 3.36Å; K241-K244 WeakPolarHBondContact O-CB 3.05Å; K241-K244 PolarHBondContact O-N 2.72Å; L242-K244 PolarHBondContact O-N 3.37Å
245	H	40.9	Very low	39	Very low	148 Å²	148	82.7 Å²	82.7	69%	0.685	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-27.5	166.5	-76.8	63	0	0	0	111.7	K241 L242 D247	K241-H245 PolarHBondContact O-N 3.49Å; K241-H245 PolarHBondContact O-ND1 3.21Å; L242-H245 CarbonylContact O-C 3.58Å; L242-H245 WeakPolarHBondContact O-CA 3.38Å; L242-H245 WeakPolarHBondContact O-CB 3.47Å; L242-H245 PolarHBondContact O-N 2.62Å; H245-D247 PolarHBondContact O-N 3.32Å
246	F	31	Very low	38.8	Very low	90 Å²	90	84.6 Å²	84.6	40%	0.395	42%	0.423	S	S	.	.	S	Bend	trans	-84.9	84	168.7	-72.7	-78.8	0	0	0	110.2	F212 L242 S248	F212-F246 HydrophobicContact CD2-CD1 4.28Å; F212-F246 HydrophobicContact CD2-CD2 4.32Å; F212-F246 AromaticContact CD2-CE1 3.76Å; F212-F246 HydrophobicContact CD2-CE1 3.76Å; F212-F246 AromaticContact CD2-CE2 3.82Å; F212-F246 HydrophobicContact CD2-CE2 3.82Å; F212-F246 AromaticContact CD2-CZ 3.51Å; F212-F246 HydrophobicContact CD2-CZ 3.51Å; F212-F246 HydrophobicContact CE2-CD1 4.12Å; F212-F246 AromaticContact CE2-CD2 3.69Å; F212-F246 HydrophobicContact CE2-CD2 3.69Å; F212-F246 HydrophobicContact CE2-CE1 4.01Å; F212-F246 AromaticContact CE2-CE2 3.58Å; F212-F246 HydrophobicContact CE2-CE2 3.58Å; F212-F246 AromaticContact CE2-CG 3.98Å; F212-F246 HydrophobicContact CE2-CG 3.98Å; F212-F246 AromaticContact CE2-CZ 3.75Å; F212-F246 HydrophobicContact CE2-CZ 3.75Å; L242-F246 WeakPolarHBondContact O-CD2 3.28Å; L242-F246 PolarHBondContact O-N 2.8Å; F246-S248 PolarHBondContact O-N 2.85Å
247	D	34.7	Very low	38.4	Very low	151 Å²	151	83.3 Å²	83.3	81%	0.807	42%	0.422	S	S	*	.			trans	-68	51.7	177	-85.9	-37.7	0	0	0	113.8	H245	H245-D247 PolarHBondContact O-N 3.32Å
248	S	39.1	Very low	37.5	Very low	39 Å²	39	80.7 Å²	80.7	27%	0.273	41%	0.413	S	S	.	.			trans	-110.7	105.2	168	178.3	0	0	0	0	109.2	F246 I250 V251 N252	F246-S248 PolarHBondContact O-N 2.85Å; S248-I250 PolarHBondContact O-N 2.68Å; S248-I250 VanDerWaalsContact O-N 3.16Å; S248-V251 PolarHBondContact O-N 3.1Å; S248-V251 VanDerWaalsContact O-N 3.11Å; S248-N252 PolarHBondContact O-N 3.02Å; S248-N252 VanDerWaalsContact O-N 3.08Å
249	P	37.6	Very low	36.7	Very low	99 Å²	99	80.8 Å²	80.8	64%	0.643	42%	0.416	S	S	*	.	H	α-helix	trans	-53.3	-36.8	177.4	-28.1	35.5	0	0	0	112.7	N252 E253	P249-N252 PolarHBondContact O-N 2.75Å; P249-E253 PolarHBondContact O-N 3.01Å
250	I	31.8	Very low	36.6	Very low	128 Å²	128	80.7 Å²	80.7	66%	0.656	42%	0.421	S	S	*	.	H	α-helix	trans	-62.8	-45	179.9	-57.3	173.5	0	0	0	111.1	S248 T254	S248-I250 PolarHBondContact O-N 2.68Å; S248-I250 VanDerWaalsContact O-N 3.16Å; I250-T254 WeakPolarHBondContact O-CB 3.25Å; I250-T254 PolarHBondContact O-N 3.23Å; I250-T254 PolarHBondContact O-OG1 3.01Å
251	V	33.2	Very low	36.1	Very low	15 Å²	15	79.5 Å²	79.5	9%	0.091	42%	0.422	C	S	.	.	H	α-helix	trans	-67.8	-42.4	178.3	173.8	0	0	0	0	110.2	L205 L208 S248 T254 I255	L205-V251 HydrophobicContact CD2-CG2 4.33Å; L208-V251 HydrophobicContact CD1-CG2 4.04Å; S248-V251 PolarHBondContact O-N 3.1Å; S248-V251 VanDerWaalsContact O-N 3.11Å; V251-T254 PolarHBondContact O-N 3.08Å; V251-I255 HydrophobicContact CG1-CD1 3.6Å; V251-I255 HydrophobicContact CG1-CG1 4.35Å; V251-I255 WeakPolarHBondContact O-CB 3.06Å; V251-I255 VanDerWaalsContact O-CG1 3.31Å; V251-I255 WeakPolarHBondContact O-CG1 2.92Å; V251-I255 PolarHBondContact O-N 3.49Å
252	N	36.4	Very low	35.4	Very low	32 Å²	32	77.2 Å²	77.2	17%	0.171	42%	0.415	C	S	.	.	H	α-helix	trans	-64.2	-46.1	-177.9	-150.1	-50	0	0	0	111.9	V243 S248 P249 K256	V243-N252 HydrophobicContact CG1-CB 4.24Å; V243-N252 WeakPolarHBondContact CG1-ND2 3.4Å; V243-N252 PolarHBondContact O-ND2 3.08Å; S248-N252 PolarHBondContact O-N 3.02Å; S248-N252 VanDerWaalsContact O-N 3.08Å; P249-N252 PolarHBondContact O-N 2.75Å; N252-K256 WeakPolarHBondContact O-CB 3.13Å; N252-K256 WeakPolarHBondContact O-CD 3.47Å; N252-K256 VanDerWaalsContact O-CG 3.29Å; N252-K256 WeakPolarHBondContact O-CG 3.08Å; N252-K256 PolarHBondContact O-N 2.85Å; N252-K256 VanDerWaalsContact OD1-CE 3.23Å; N252-K256 WeakPolarHBondContact OD1-CE 3.31Å; N252-K256 PolarHBondContact OD1-NZ 2.9Å
253	E	41.5	Very low	35.2	Very low	150 Å²	150	78.3 Å²	78.3	70%	0.701	42%	0.42	S	S	*	.	H	α-helix	trans	-68.4	-43.6	173.8	-72.6	-155.4	139.6	0	0	112.8	P249 I255 K256 S257	P249-E253 PolarHBondContact O-N 3.01Å; E253-I255 PolarHBondContact O-N 3.28Å; E253-K256 PolarHBondContact O-N 3.39Å; E253-S257 VanDerWaalsContact O-CB 3.26Å; E253-S257 WeakPolarHBondContact O-CB 3.39Å; E253-S257 PolarHBondContact O-N 2.82Å
254	T	35.1	Very low	35.1	Very low	71 Å²	71	84.2 Å²	84.2	44%	0.436	44%	0.444	S	S	.	.	H	α-helix	trans	-63.5	-44.4	-177.2	-58.4	0	0	0	0	111.6	I250 V251 S257 V258	I250-T254 WeakPolarHBondContact O-CB 3.25Å; I250-T254 PolarHBondContact O-N 3.23Å; I250-T254 PolarHBondContact O-OG1 3.01Å; V251-T254 PolarHBondContact O-N 3.08Å; T254-S257 PolarHBondContact O-N 2.92Å; T254-V258 WeakPolarHBondContact O-CG2 3.3Å; T254-V258 PolarHBondContact O-N 2.79Å
255	I	33.6	Very low	35	Very low	24 Å²	24	81 Å²	81	12%	0.123	44%	0.436	C	S	.	.	H	α-helix	trans	-63.9	-44.3	176.6	-69.8	175.1	0	0	0	110.7	L201 V243 V251 E253 S257 L259	L201-I255 HydrophobicContact CD2-CG1 4.33Å; V243-I255 HydrophobicContact CG2-CD1 4.36Å; V251-I255 HydrophobicContact CG1-CD1 3.6Å; V251-I255 HydrophobicContact CG1-CG1 4.35Å; V251-I255 WeakPolarHBondContact O-CB 3.06Å; V251-I255 VanDerWaalsContact O-CG1 3.31Å; V251-I255 WeakPolarHBondContact O-CG1 2.92Å; V251-I255 PolarHBondContact O-N 3.49Å; E253-I255 PolarHBondContact O-N 3.28Å; I255-S257 PolarHBondContact O-N 2.81Å; I255-L259 HydrophobicContact CG2-CD1 3.62Å; I255-L259 HydrophobicContact CG2-CG 4.3Å; I255-L259 WeakPolarHBondContact O-CB 3.41Å; I255-L259 VanDerWaalsContact O-CG 3.31Å; I255-L259 WeakPolarHBondContact O-CG 3.43Å; I255-L259 PolarHBondContact O-N 3.24Å
256	K	38.9	Very low	34.9	Very low	113 Å²	113	77.8 Å²	77.8	49%	0.491	42%	0.418	S	S	.	.	H	α-helix	trans	-63	-39.7	176	-77.3	170.1	175.5	161.7	0	112.5	N252 E253 S260	N252-K256 WeakPolarHBondContact O-CB 3.13Å; N252-K256 WeakPolarHBondContact O-CD 3.47Å; N252-K256 VanDerWaalsContact O-CG 3.29Å; N252-K256 WeakPolarHBondContact O-CG 3.08Å; N252-K256 PolarHBondContact O-N 2.85Å; N252-K256 VanDerWaalsContact OD1-CE 3.23Å; N252-K256 WeakPolarHBondContact OD1-CE 3.31Å; N252-K256 PolarHBondContact OD1-NZ 2.9Å; E253-K256 PolarHBondContact O-N 3.39Å; K256-S260 WeakPolarHBondContact O-CB 3.36Å; K256-S260 PolarHBondContact O-N 2.96Å; K256-S260 PolarHBondContact O-OG 3Å
257	S	34.1	Very low	35.2	Very low	74 Å²	74	78.9 Å²	78.9	52%	0.517	42%	0.424	S	S	.	.	H	α-helix	trans	-62.5	-53.6	177.3	-178.9	0	0	0	0	111.6	E253 T254 I255 S261	E253-S257 VanDerWaalsContact O-CB 3.26Å; E253-S257 WeakPolarHBondContact O-CB 3.39Å; E253-S257 PolarHBondContact O-N 2.82Å; T254-S257 PolarHBondContact O-N 2.92Å; I255-S257 PolarHBondContact O-N 2.81Å; S257-S261 WeakPolarHBondContact O-CB 3.46Å; S257-S261 PolarHBondContact O-N 3.24Å; S257-S261 VanDerWaalsContact O-N 3.11Å; S257-S261 PolarHBondContact O-OG 3.38Å
258	V	31.2	Very low	35.6	Very low	42 Å²	42	77.3 Å²	77.3	26%	0.255	41%	0.412	S	S	.	.	H	α-helix	trans	-64.4	-48.6	-178.5	173.4	0	0	0	0	111.6	V197 T254 S260 D262	V197-V258 HydrophobicContact CG2-CG1 4.32Å; T254-V258 WeakPolarHBondContact O-CG2 3.3Å; T254-V258 PolarHBondContact O-N 2.79Å; V258-S260 PolarHBondContact O-N 3.1Å; V258-D262 PolarHBondContact O-N 2.63Å
259	L	31.5	Very low	35.6	Very low	74 Å²	74	79.4 Å²	79.4	39%	0.387	42%	0.417	S	S	.	.	H	α-helix	trans	-66.9	-38.4	-179.3	-67.4	176.3	0	0	0	112.5	I255 I263	I255-L259 HydrophobicContact CG2-CD1 3.62Å; I255-L259 HydrophobicContact CG2-CG 4.3Å; I255-L259 WeakPolarHBondContact O-CB 3.41Å; I255-L259 VanDerWaalsContact O-CG 3.31Å; I255-L259 WeakPolarHBondContact O-CG 3.43Å; I255-L259 PolarHBondContact O-N 3.24Å; L259-I263 HydrophobicContact CB-CD1 4.41Å; L259-I263 HydrophobicContact CD2-CD1 3.96Å; L259-I263 WeakPolarHBondContact O-CB 3.28Å; L259-I263 WeakPolarHBondContact O-CD1 3.48Å; L259-I263 WeakPolarHBondContact O-CG1 3.41Å
260	S	36.9	Very low	35.7	Very low	56 Å²	56	79.3 Å²	79.3	39%	0.392	41%	0.411	S	S	.	.	H	α-helix	trans	-81.8	-23.8	-174.9	72.4	0	0	0	0	114.5	K256 V258 K264	K256-S260 WeakPolarHBondContact O-CB 3.36Å; K256-S260 PolarHBondContact O-N 2.96Å; K256-S260 PolarHBondContact O-OG 3Å; V258-S260 PolarHBondContact O-N 3.1Å; S260-K264 WeakPolarHBondContact O-CB 3.18Å; S260-K264 WeakPolarHBondContact O-CD 3.47Å; S260-K264 WeakPolarHBondContact O-CE 3.25Å; S260-K264 WeakPolarHBondContact O-CG 3.27Å
261	S	33.7	Very low	36.3	Very low	64 Å²	64	81.2 Å²	81.2	45%	0.448	41%	0.41	S	S	.	.	H	α-helix	trans	-86.9	-56.9	179.1	56.2	0	0	0	0	112.1	S257 K264 S265	S257-S261 WeakPolarHBondContact O-CB 3.46Å; S257-S261 PolarHBondContact O-N 3.24Å; S257-S261 VanDerWaalsContact O-N 3.11Å; S257-S261 PolarHBondContact O-OG 3.38Å; S261-K264 PolarHBondContact O-N 3.41Å; S261-S265 WeakPolarHBondContact O-CB 3.32Å; S261-S265 PolarHBondContact O-N 3.42Å
262	D	32.6	Very low	36.7	Very low	53 Å²	53	83.3 Å²	83.3	28%	0.283	42%	0.419	S	S	.	.	H	α-helix	trans	-74.5	-33.9	-167.3	-130.3	31	0	0	0	112.5	V258 R266	V258-D262 PolarHBondContact O-N 2.63Å; D262-R266 PolarHBondContact O-N 3.03Å; D262-R266 VanDerWaalsContact O-N 3.1Å; D262-R266 IonicContact OD1-NH1 3.72Å; D262-R266 IonicContact OD1-NH2 3.18Å; D262-R266 IonicContact OD2-CZ 3.09Å; D262-R266 IonicContact OD2-NH1 2.89Å; D262-R266 PolarHBondContact OD2-NH1 3.31Å; D262-R266 IonicContact OD2-NH2 3.64Å; D262-R266 PolarHBondContact OD2-NH2 2.84Å
263	I	30.6	Very low	36.9	Very low	90 Å²	90	87.2 Å²	87.2	46%	0.462	44%	0.439	S	S	.	.	H	α-helix	trans	-70.6	-45	174.9	-57.7	178.8	0	0	0	110.6	L259 S265 R266 H267	L259-I263 HydrophobicContact CB-CD1 4.41Å; L259-I263 HydrophobicContact CD2-CD1 3.96Å; L259-I263 WeakPolarHBondContact O-CB 3.28Å; L259-I263 WeakPolarHBondContact O-CD1 3.48Å; L259-I263 WeakPolarHBondContact O-CG1 3.41Å; I263-S265 PolarHBondContact O-N 2.54Å; I263-R266 PolarHBondContact O-N 2.92Å; I263-H267 WeakPolarHBondContact O-CB 3.35Å; I263-H267 PolarHBondContact O-N 2.64Å
264	K	33.9	Very low	36.8	Very low	141 Å²	141	82.8 Å²	82.8	61%	0.613	42%	0.418	S	S	*	.	H	α-helix	trans	-61.9	-44.4	176.4	-72	-176.1	-165.5	167.7	0	111.2	S260 S261 H267 Q268	S260-K264 WeakPolarHBondContact O-CB 3.18Å; S260-K264 WeakPolarHBondContact O-CD 3.47Å; S260-K264 WeakPolarHBondContact O-CE 3.25Å; S260-K264 WeakPolarHBondContact O-CG 3.27Å; S261-K264 PolarHBondContact O-N 3.41Å; K264-H267 PolarHBondContact O-N 3.02Å; K264-Q268 VanDerWaalsContact O-CB 3.24Å; K264-Q268 WeakPolarHBondContact O-CB 3.42Å; K264-Q268 PolarHBondContact O-N 2.83Å
265	S	37.8	Very low	37.3	Very low	46 Å²	46	86 Å²	86	32%	0.322	43%	0.427	S	S	.	.	H	α-helix	trans	-55	-53.8	176.4	-175.3	0	0	0	0	111.6	S261 I263 Q268 Q269	S261-S265 WeakPolarHBondContact O-CB 3.32Å; S261-S265 PolarHBondContact O-N 3.42Å; I263-S265 PolarHBondContact O-N 2.54Å; S265-Q268 PolarHBondContact O-N 2.93Å; S265-Q269 WeakPolarHBondContact O-CG 3.37Å; S265-Q269 PolarHBondContact O-N 3.02Å
266	R	37.3	Very low	37.7	Very low	82 Å²	82	87.2 Å²	87.2	31%	0.309	43%	0.433	S	S	.	.	H	α-helix	trans	-70.2	-35.7	-179.4	-67	-166.7	-170	83.8	7.6	113.8	V193 D262 I263 Q268 Q269 N270	V193-R266 VanDerWaalsContact CG2-CZ 3.4Å; V193-R266 VanDerWaalsContact CG2-NE 3.34Å; D262-R266 PolarHBondContact O-N 3.03Å; D262-R266 VanDerWaalsContact O-N 3.1Å; D262-R266 IonicContact OD1-NH1 3.72Å; D262-R266 IonicContact OD1-NH2 3.18Å; D262-R266 IonicContact OD2-CZ 3.09Å; D262-R266 IonicContact OD2-NH1 2.89Å; D262-R266 PolarHBondContact OD2-NH1 3.31Å; D262-R266 IonicContact OD2-NH2 3.64Å; D262-R266 PolarHBondContact OD2-NH2 2.84Å; I263-R266 PolarHBondContact O-N 2.92Å; R266-Q268 VanDerWaalsContact C-N 3.32Å; R266-Q268 PolarHBondContact O-N 3.49Å; R266-Q269 PolarHBondContact O-N 2.99Å; R266-N270 WeakPolarHBondContact O-CB 3.45Å; R266-N270 VanDerWaalsContact O-CG 3.29Å; R266-N270 PolarHBondContact O-N 2.82Å; R266-N270 PolarHBondContact O-OD1 3.2Å
267	H	38.1	Very low	37.8	Very low	112 Å²	112	86.4 Å²	86.4	52%	0.519	43%	0.428	S	S	.	.	H	α-helix	trans	-63.6	-37.3	171	-99	4.7	0	0	0	112.3	I263 K264 R271	I263-H267 WeakPolarHBondContact O-CB 3.35Å; I263-H267 PolarHBondContact O-N 2.64Å; K264-H267 PolarHBondContact O-N 3.02Å; H267-R271 VanDerWaalsContact O-CB 3.3Å; H267-R271 WeakPolarHBondContact O-CB 3.33Å; H267-R271 WeakPolarHBondContact O-CG 3.4Å; H267-R271 PolarHBondContact O-N 3.14Å
268	Q	42.6	Very low	38.2	Very low	119 Å²	119	85 Å²	85	56%	0.556	41%	0.414	S	S	*	.	H	α-helix	trans	-69.9	-42.3	177.1	-174.5	164.3	-26.8	0	0	111.7	K264 S265 R266 R271 Q272	K264-Q268 VanDerWaalsContact O-CB 3.24Å; K264-Q268 WeakPolarHBondContact O-CB 3.42Å; K264-Q268 PolarHBondContact O-N 2.83Å; S265-Q268 PolarHBondContact O-N 2.93Å; R266-Q268 VanDerWaalsContact C-N 3.32Å; R266-Q268 PolarHBondContact O-N 3.49Å; Q268-R271 PolarHBondContact O-N 3.2Å; Q268-Q272 WeakPolarHBondContact O-CG 3.47Å; Q268-Q272 PolarHBondContact O-N 3.09Å
269	Q	39.3	Very low	38.9	Very low	82 Å²	82	90.7 Å²	90.7	38%	0.383	43%	0.431	S	S	.	.	H	α-helix	trans	-60.9	-49.4	172.7	-71.9	170.3	-8.3	0	0	111.8	S265 R266 R271 Q272 L273	S265-Q269 WeakPolarHBondContact O-CG 3.37Å; S265-Q269 PolarHBondContact O-N 3.02Å; R266-Q269 PolarHBondContact O-N 2.99Å; Q269-R271 VanDerWaalsContact C-N 3.32Å; Q269-R271 PolarHBondContact O-N 2.84Å; Q269-Q272 WeakPolarHBondContact O-CB 3.4Å; Q269-Q272 PolarHBondContact O-N 2.89Å; Q269-Q272 VanDerWaalsContact O-N 3.07Å; Q269-L273 PolarHBondContact O-N 3.28Å
270	N	40.4	Very low	39.4	Very low	98 Å²	98	89.8 Å²	89.8	52%	0.524	43%	0.426	S	S	.	.	H	α-helix	trans	-62.9	-38.1	178.2	-72	2	0	0	0	111.9	R266 L273 Q274	R266-N270 WeakPolarHBondContact O-CB 3.45Å; R266-N270 VanDerWaalsContact O-CG 3.29Å; R266-N270 PolarHBondContact O-N 2.82Å; R266-N270 PolarHBondContact O-OD1 3.2Å; N270-L273 PolarHBondContact O-N 2.94Å; N270-Q274 VanDerWaalsContact O-CB 3.31Å; N270-Q274 WeakPolarHBondContact O-CB 3.33Å; N270-Q274 PolarHBondContact O-N 2.95Å
271	R	42.8	Very low	39.7	Very low	168 Å²	168	87.4 Å²	87.4	63%	0.634	41%	0.409	S	S	*	.	H	α-helix	trans	-66.3	-33.6	172.6	-76.2	173	177.2	-165.7	-0.6	112.8	H267 Q268 Q269 K275	H267-R271 VanDerWaalsContact O-CB 3.3Å; H267-R271 WeakPolarHBondContact O-CB 3.33Å; H267-R271 WeakPolarHBondContact O-CG 3.4Å; H267-R271 PolarHBondContact O-N 3.14Å; Q268-R271 PolarHBondContact O-N 3.2Å; Q269-R271 VanDerWaalsContact C-N 3.32Å; Q269-R271 PolarHBondContact O-N 2.84Å; R271-K275 WeakPolarHBondContact O-CB 3.48Å; R271-K275 VanDerWaalsContact O-CG 3.23Å; R271-K275 WeakPolarHBondContact O-CG 3.37Å; R271-K275 PolarHBondContact O-N 3.3Å; R271-K275 VanDerWaalsContact O-N 3.08Å
272	Q	42.1	Very low	40.3	Very low	58 Å²	58	89.9 Å²	89.9	27%	0.271	41%	0.413	S	S	.	.	H	α-helix	trans	-69.8	-43.5	173.1	-77.2	175	-19.9	0	0	111.3	Q268 Q269 K275 L276	Q268-Q272 WeakPolarHBondContact O-CG 3.47Å; Q268-Q272 PolarHBondContact O-N 3.09Å; Q269-Q272 WeakPolarHBondContact O-CB 3.4Å; Q269-Q272 PolarHBondContact O-N 2.89Å; Q269-Q272 VanDerWaalsContact O-N 3.07Å; Q272-K275 PolarHBondContact O-N 3.44Å; Q272-L276 PolarHBondContact O-N 3.16Å
273	L	40	Very low	41	Very low	114 Å²	114	90.9 Å²	90.9	60%	0.597	42%	0.415	S	S	*	.	H	α-helix	trans	-62.9	-44.6	176.5	-165.8	73.3	0	0	0	111.7	Q269 N270 K275 L276 Y277	Q269-L273 PolarHBondContact O-N 3.28Å; N270-L273 PolarHBondContact O-N 2.94Å; L273-K275 PolarHBondContact O-N 2.93Å; L273-L276 WeakPolarHBondContact O-CB 3.33Å; L273-L276 PolarHBondContact O-N 3.28Å; L273-L276 VanDerWaalsContact O-N 3.17Å; L273-Y277 WeakPolarHBondContact O-CB 3.44Å; L273-Y277 PolarHBondContact O-N 3.37Å
274	Q	40.9	Very low	41.5	Very low	57 Å²	57	90.2 Å²	90.2	27%	0.266	41%	0.409	S	S	.	.	H	α-helix	trans	-63	-40.4	175.4	-168.7	179.3	26.5	0	0	111.8	N270 L276 Y277 N278	N270-Q274 VanDerWaalsContact O-CB 3.31Å; N270-Q274 WeakPolarHBondContact O-CB 3.33Å; N270-Q274 PolarHBondContact O-N 2.95Å; Q274-L276 VanDerWaalsContact C-N 3.33Å; Q274-L276 PolarHBondContact O-N 3.42Å; Q274-Y277 PolarHBondContact O-N 3.46Å; Q274-N278 WeakPolarHBondContact O-CB 3.16Å; Q274-N278 VanDerWaalsContact O-CG 3.27Å; Q274-N278 PolarHBondContact O-N 3.14Å; Q274-N278 PolarHBondContact O-OD1 3.21Å
275	K	44.7	Very low	42	Very low	140 Å²	140	84.7 Å²	84.7	61%	0.609	39%	0.386	S	S	*	.	H	α-helix	trans	-62.9	-36.9	172.7	-78.8	174.4	178.1	-174.5	0	112.7	R271 Q272 L273 R279	R271-K275 WeakPolarHBondContact O-CB 3.48Å; R271-K275 VanDerWaalsContact O-CG 3.23Å; R271-K275 WeakPolarHBondContact O-CG 3.37Å; R271-K275 PolarHBondContact O-N 3.3Å; R271-K275 VanDerWaalsContact O-N 3.08Å; Q272-K275 PolarHBondContact O-N 3.44Å; L273-K275 PolarHBondContact O-N 2.93Å; K275-R279 WeakPolarHBondContact O-CB 3.43Å; K275-R279 WeakPolarHBondContact O-CD 3.47Å; K275-R279 WeakPolarHBondContact O-CG 3.1Å; K275-R279 PolarHBondContact O-N 2.78Å; K275-R279 VanDerWaalsContact O-N 3.15Å
276	L	42.6	Very low	42.5	Very low	49 Å²	49	84.1 Å²	84.1	26%	0.257	39%	0.387	S	S	.	.	H	α-helix	trans	-68.2	-46.7	175.5	179.5	63.5	0	0	0	111.2	Q272 L273 Q274 R279 I280 I349	Q272-L276 PolarHBondContact O-N 3.16Å; L273-L276 WeakPolarHBondContact O-CB 3.33Å; L273-L276 PolarHBondContact O-N 3.28Å; L273-L276 VanDerWaalsContact O-N 3.17Å; Q274-L276 VanDerWaalsContact C-N 3.33Å; Q274-L276 PolarHBondContact O-N 3.42Å; L276-R279 PolarHBondContact O-N 3.49Å; L276-I280 HydrophobicContact CD1-CD1 4.3Å; L276-I280 HydrophobicContact CG-CD1 4.12Å; L276-I280 WeakPolarHBondContact O-CG1 3.37Å; L276-I280 PolarHBondContact O-N 2.93Å; L276-I349 HydrophobicContact CD1-CD1 3.96Å; L276-I349 HydrophobicContact CD2-CD1 3.82Å
277	Y	40	Very low	42.9	Very low	96 Å²	96	80.8 Å²	80.8	38%	0.376	38%	0.376	S	S	.	.	H	α-helix	trans	-61	-48.7	178.7	-175.3	-102.1	0	0	0	112	M83 E87 L273 Q274 R279 I280 I281	M83-Y277 HydrophobicContact CG-CE1 4.26Å; E87-Y277 PolarHBondContact OE1-OH 3.47Å; L273-Y277 WeakPolarHBondContact O-CB 3.44Å; L273-Y277 PolarHBondContact O-N 3.37Å; Q274-Y277 PolarHBondContact O-N 3.46Å; Y277-R279 PolarHBondContact O-N 2.94Å; Y277-I280 WeakPolarHBondContact O-CB 3.38Å; Y277-I280 PolarHBondContact O-N 2.97Å; Y277-I280 VanDerWaalsContact O-N 3.08Å; Y277-I281 HydrophobicContact CD1-CD1 3.91Å; Y277-I281 HydrophobicContact CE1-CD1 3.35Å; Y277-I281 HydrophobicContact CE1-CG1 4.43Å; Y277-I281 HydrophobicContact CE2-CD1 4.46Å; Y277-I281 PolarHBondContact O-N 3.36Å
278	N	43.1	Very low	43.2	Very low	43 Å²	43	76.4 Å²	76.4	23%	0.23	36%	0.356	C	S	.	.	H	α-helix	trans	-58.3	-46.1	174.9	-71.3	15.8	0	0	0	111.5	Q274 I280 I281 E282	Q274-N278 WeakPolarHBondContact O-CB 3.16Å; Q274-N278 VanDerWaalsContact O-CG 3.27Å; Q274-N278 PolarHBondContact O-N 3.14Å; Q274-N278 PolarHBondContact O-OD1 3.21Å; N278-I280 PolarHBondContact O-N 2.99Å; N278-I281 PolarHBondContact O-N 3.5Å; N278-I281 VanDerWaalsContact O-N 3.17Å; N278-E282 WeakPolarHBondContact O-CB 3.33Å; N278-E282 VanDerWaalsContact O-CG 3.26Å; N278-E282 WeakPolarHBondContact O-CG 3.33Å; N278-E282 PolarHBondContact O-N 2.91Å
279	R	46.2	Very low	43.7	Very low	163 Å²	163	74.4 Å²	74.4	62%	0.615	35%	0.349	S	S	*	.	H	α-helix	trans	-60.8	-27.8	175.8	-79.9	172.2	171.1	-175.8	-2.5	114	K275 L276 Y277 K283	K275-R279 WeakPolarHBondContact O-CB 3.43Å; K275-R279 WeakPolarHBondContact O-CD 3.47Å; K275-R279 WeakPolarHBondContact O-CG 3.1Å; K275-R279 PolarHBondContact O-N 2.78Å; K275-R279 VanDerWaalsContact O-N 3.15Å; L276-R279 PolarHBondContact O-N 3.49Å; Y277-R279 PolarHBondContact O-N 2.94Å; R279-K283 WeakPolarHBondContact O-CG 3.47Å; R279-K283 PolarHBondContact O-N 3.42Å
280	I	42.2	Very low	44.6	Very low	54 Å²	54	76.3 Å²	76.3	28%	0.277	36%	0.356	S	S	.	.	H	α-helix	trans	-74.3	-48.1	174.9	-70.8	164.3	0	0	0	109.3	L276 Y277 N278 E282 K283 F284 L344	L276-I280 HydrophobicContact CD1-CD1 4.3Å; L276-I280 HydrophobicContact CG-CD1 4.12Å; L276-I280 WeakPolarHBondContact O-CG1 3.37Å; L276-I280 PolarHBondContact O-N 2.93Å; Y277-I280 WeakPolarHBondContact O-CB 3.38Å; Y277-I280 PolarHBondContact O-N 2.97Å; Y277-I280 VanDerWaalsContact O-N 3.08Å; N278-I280 PolarHBondContact O-N 2.99Å; I280-E282 PolarHBondContact O-N 3.16Å; I280-K283 PolarHBondContact O-N 2.89Å; I280-F284 HydrophobicContact CG2-CD2 3.85Å; I280-F284 HydrophobicContact CG2-CE2 3.74Å; I280-F284 WeakPolarHBondContact O-CD2 3.33Å; I280-F284 PolarHBondContact O-N 3.04Å; I280-F284 VanDerWaalsContact O-N 3.07Å; I280-L344 HydrophobicContact CG1-CD2 4.43Å
281	I	42	Very low	45.2	Very low	7 Å²	7	72.5 Å²	72.5	4%	0.036	33%	0.334	C	S	.	.	H	α-helix	trans	-66.1	-38.5	178.1	-56.3	168	0	0	0	111.8	V86 L90 Y277 N278 K283 F284 L285	V86-I281 HydrophobicContact CB-CD1 4.5Å; V86-I281 HydrophobicContact CG1-CB 3.86Å; V86-I281 HydrophobicContact CG1-CD1 3.92Å; V86-I281 HydrophobicContact CG1-CG2 3.56Å; L90-I281 HydrophobicContact CB-CG2 3.99Å; L90-I281 HydrophobicContact CD1-CG2 4.28Å; L90-I281 HydrophobicContact CD2-CG1 4.5Å; L90-I281 HydrophobicContact CD2-CG2 3.96Å; L90-I281 HydrophobicContact CG-CG2 4.3Å; Y277-I281 HydrophobicContact CD1-CD1 3.91Å; Y277-I281 HydrophobicContact CE1-CD1 3.35Å; Y277-I281 HydrophobicContact CE1-CG1 4.43Å; Y277-I281 HydrophobicContact CE2-CD1 4.46Å; Y277-I281 PolarHBondContact O-N 3.36Å; N278-I281 PolarHBondContact O-N 3.5Å; N278-I281 VanDerWaalsContact O-N 3.17Å; I281-K283 VanDerWaalsContact C-N 3.25Å; I281-K283 PolarHBondContact O-N 3.1Å; I281-F284 PolarHBondContact O-N 3.37Å; I281-F284 VanDerWaalsContact O-N 3.08Å; I281-L285 HydrophobicContact CG2-CD1 3.92Å; I281-L285 HydrophobicContact CG2-CG 4Å; I281-L285 WeakPolarHBondContact O-CB 3.48Å; I281-L285 WeakPolarHBondContact O-CG 3.09Å; I281-L285 PolarHBondContact O-N 3.43Å
282	E	47.1	Very low	45.5	Very low	116 Å²	116	66.6 Å²	66.6	54%	0.542	31%	0.314	S	S	.	.	H	α-helix	trans	-56	-39	173.4	-75.9	165.1	-177.2	0	0	112	N278 I280 G286	N278-E282 WeakPolarHBondContact O-CB 3.33Å; N278-E282 VanDerWaalsContact O-CG 3.26Å; N278-E282 WeakPolarHBondContact O-CG 3.33Å; N278-E282 PolarHBondContact O-N 2.91Å; I280-E282 PolarHBondContact O-N 3.16Å; E282-G286 PolarHBondContact O-N 3.39Å
283	K	46.9	Very low	46.2	Very low	74 Å²	74	66.7 Å²	66.7	32%	0.322	32%	0.32	S	S	.	.	H	α-helix	trans	-69.8	-40.1	173.9	-71.9	177.1	-173.4	179.1	0	112.4	R279 I280 I281 G286 I287 L340	R279-K283 WeakPolarHBondContact O-CG 3.47Å; R279-K283 PolarHBondContact O-N 3.42Å; I280-K283 PolarHBondContact O-N 2.89Å; I281-K283 VanDerWaalsContact C-N 3.25Å; I281-K283 PolarHBondContact O-N 3.1Å; K283-G286 PolarHBondContact O-N 3.26Å; K283-I287 WeakPolarHBondContact O-CG1 3.39Å; K283-I287 PolarHBondContact O-N 3.33Å; K283-L340 HydrophobicContact CB-CD1 4.08Å; K283-L340 HydrophobicContact CB-CD2 4.39Å; K283-L340 HydrophobicContact CD-CD1 3.51Å; K283-L340 HydrophobicContact CG-CD1 4.39Å
284	F	42.3	Very low	46.9	Very low	76 Å²	76	64.5 Å²	64.5	33%	0.333	31%	0.308	S	S	.	.	H	α-helix	trans	-66.6	-44.3	175.7	-83.3	-71	0	0	0	112.4	L90 I280 I281 G286 I287 I288 L340	L90-F284 HydrophobicContact CD1-CB 4.03Å; I280-F284 HydrophobicContact CG2-CD2 3.85Å; I280-F284 HydrophobicContact CG2-CE2 3.74Å; I280-F284 WeakPolarHBondContact O-CD2 3.33Å; I280-F284 PolarHBondContact O-N 3.04Å; I280-F284 VanDerWaalsContact O-N 3.07Å; I281-F284 PolarHBondContact O-N 3.37Å; I281-F284 VanDerWaalsContact O-N 3.08Å; F284-G286 VanDerWaalsContact C-N 3.3Å; F284-G286 PolarHBondContact O-N 3.18Å; F284-I287 WeakPolarHBondContact O-CB 3.26Å; F284-I287 PolarHBondContact O-N 2.93Å; F284-I287 VanDerWaalsContact O-N 3.08Å; F284-I288 WeakPolarHBondContact O-CG1 3.23Å; F284-I288 PolarHBondContact O-N 3.03Å; F284-L340 HydrophobicContact CD1-CD2 4.25Å; F284-L340 HydrophobicContact CD2-CD2 4.37Å; F284-L340 HydrophobicContact CE1-CD2 3.97Å; F284-L340 HydrophobicContact CE2-CD2 4.1Å; F284-L340 HydrophobicContact CG-CD2 4.43Å; F284-L340 HydrophobicContact CZ-CD2 3.89Å
285	L	43.9	Very low	47.3	Very low	24 Å²	24	62.1 Å²	62.1	13%	0.126	30%	0.297	C	S	.	.	H	α-helix	trans	-56.3	-46.2	170.7	-73.2	171	0	0	0	110.5	V86 K89 L90 K93 I281 I287 I288 D289	V86-L285 HydrophobicContact CG1-CD1 4.46Å; K89-L285 HydrophobicContact CB-CD2 4.35Å; L90-L285 HydrophobicContact CB-CD2 4.33Å; L90-L285 HydrophobicContact CD1-CD2 4.23Å; L90-L285 HydrophobicContact CD1-CG 4.4Å; K93-L285 HydrophobicContact CD-CD2 4.14Å; I281-L285 HydrophobicContact CG2-CD1 3.92Å; I281-L285 HydrophobicContact CG2-CG 4Å; I281-L285 WeakPolarHBondContact O-CB 3.48Å; I281-L285 WeakPolarHBondContact O-CG 3.09Å; I281-L285 PolarHBondContact O-N 3.43Å; L285-I287 VanDerWaalsContact C-N 3.26Å; L285-I287 PolarHBondContact O-N 3.26Å; L285-I288 CarbonylContact O-C 3.56Å; L285-I288 PolarHBondContact O-N 3.39Å; L285-D289 WeakPolarHBondContact O-CB 3.15Å; L285-D289 PolarHBondContact O-N 2.98Å; L285-D289 VanDerWaalsContact O-OD2 3.12Å
286	G	48.4	Very low	47.7	Very low	34 Å²	34	59.8 Å²	59.8	35%	0.351	29%	0.292	S	S	.	.	H	α-helix	trans	-64	-21.6	175.5	0	0	0	0	0	115.3	E282 K283 F284 K290	E282-G286 PolarHBondContact O-N 3.39Å; K283-G286 PolarHBondContact O-N 3.26Å; F284-G286 VanDerWaalsContact C-N 3.3Å; F284-G286 PolarHBondContact O-N 3.18Å; G286-K290 WeakPolarHBondContact O-CG 3.5Å
287	I	45.4	Very low	48.4	Very low	13 Å²	13	63.2 Å²	63.2	7%	0.067	31%	0.31	C	S	.	.	H	α-helix	trans	-76	-47.4	167.9	-70.2	169.6	0	0	0	109.5	K283 F284 L285 D289 K290 W291 L333 L340	K283-I287 WeakPolarHBondContact O-CG1 3.39Å; K283-I287 PolarHBondContact O-N 3.33Å; F284-I287 WeakPolarHBondContact O-CB 3.26Å; F284-I287 PolarHBondContact O-N 2.93Å; F284-I287 VanDerWaalsContact O-N 3.08Å; L285-I287 VanDerWaalsContact C-N 3.26Å; L285-I287 PolarHBondContact O-N 3.26Å; I287-D289 VanDerWaalsContact C-N 3.33Å; I287-D289 PolarHBondContact O-N 3.02Å; I287-K290 WeakPolarHBondContact O-CB 3.33Å; I287-K290 PolarHBondContact O-N 2.86Å; I287-W291 WeakPolarHBondContact O-CB 3.4Å; I287-W291 PolarHBondContact O-N 2.8Å; I287-L333 HydrophobicContact CG2-CD1 3.57Å; I287-L340 HydrophobicContact CD1-CB 4.34Å; I287-L340 HydrophobicContact CD1-CD2 3.74Å
288	I	43.6	Very low	48.8	Very low	19 Å²	19	59 Å²	59	10%	0.097	29%	0.294	C	S	.	.	H	α-helix	trans	-63.8	-36.3	179.8	-58.8	162.6	0	0	0	111.6	L90 K93 L94 F284 L285 K290 W291 Q292	L90-I288 HydrophobicContact CD1-CD1 3.72Å; K93-I288 HydrophobicContact CB-CG2 3.95Å; K93-I288 HydrophobicContact CD-CG2 4.16Å; L94-I288 HydrophobicContact CD2-CD1 4.02Å; L94-I288 HydrophobicContact CG-CD1 4.21Å; F284-I288 WeakPolarHBondContact O-CG1 3.23Å; F284-I288 PolarHBondContact O-N 3.03Å; L285-I288 CarbonylContact O-C 3.56Å; L285-I288 PolarHBondContact O-N 3.39Å; I288-K290 PolarHBondContact O-N 3.14Å; I288-W291 CarbonylContact O-C 3.55Å; I288-W291 WeakPolarHBondContact O-CA 2.98Å; I288-W291 VanDerWaalsContact O-CB 3.26Å; I288-W291 WeakPolarHBondContact O-CB 3.12Å; I288-W291 PolarHBondContact O-N 3.45Å; I288-Q292 PolarHBondContact O-N 3.25Å
289	D	53.6	Low	48.9	Very low	78 Å²	78	63.9 Å²	63.9	42%	0.417	32%	0.316	S	S	.	.	H	α-helix	trans	-67	-31.4	177.7	-85.2	-59.4	0	0	0	113.6	K93 L285 I287 W291 P293	K93-D289 IonicContact NZ-OD1 3.41Å; K93-D289 PolarHBondContact NZ-OD1 3.31Å; K93-D289 IonicContact NZ-OD2 3.63Å; K93-D289 PolarHBondContact NZ-OD2 2.94Å; L285-D289 WeakPolarHBondContact O-CB 3.15Å; L285-D289 PolarHBondContact O-N 2.98Å; L285-D289 VanDerWaalsContact O-OD2 3.12Å; I287-D289 VanDerWaalsContact C-N 3.33Å; I287-D289 PolarHBondContact O-N 3.02Å; D289-W291 PolarHBondContact O-N 3.14Å; D289-P293 VanDerWaalsContact O-CD 3.3Å; D289-P293 WeakPolarHBondContact O-CD 3.48Å
290	K	59.3	Low	48.8	Very low	121 Å²	121	58.2 Å²	58.2	53%	0.526	30%	0.297	S	S	.	.	H	α-helix	trans	-68.3	-20.5	167.8	-65.7	170.7	-178.2	-176.1	0	112.7	G286 I287 I288 N294 D336	G286-K290 WeakPolarHBondContact O-CG 3.5Å; I287-K290 WeakPolarHBondContact O-CB 3.33Å; I287-K290 PolarHBondContact O-N 2.86Å; I288-K290 PolarHBondContact O-N 3.14Å; K290-N294 PolarHBondContact O-ND2 2.8Å; K290-D336 IonicContact NZ-OD1 3.91Å; K290-D336 IonicContact NZ-OD2 2.75Å; K290-D336 PolarHBondContact NZ-OD2 3.07Å
291	W	52.6	Low	48.7	Very low	19 Å²	19	60.5 Å²	60.5	7%	0.072	31%	0.31	C	S	.	.	H	α-helix	trans	-104	-38.7	-161.6	-110.9	80.9	0	0	0	113.8	I287 I288 D289 P293 N294 L295 L329 L333	I287-W291 WeakPolarHBondContact O-CB 3.4Å; I287-W291 PolarHBondContact O-N 2.8Å; I288-W291 CarbonylContact O-C 3.55Å; I288-W291 WeakPolarHBondContact O-CA 2.98Å; I288-W291 VanDerWaalsContact O-CB 3.26Å; I288-W291 WeakPolarHBondContact O-CB 3.12Å; I288-W291 PolarHBondContact O-N 3.45Å; D289-W291 PolarHBondContact O-N 3.14Å; W291-P293 VanDerWaalsContact C-CD 3.44Å; W291-P293 VanDerWaalsContact C-N 3.31Å; W291-N294 WeakPolarHBondContact O-CB 3.26Å; W291-N294 PolarHBondContact O-N 3.12Å; W291-L295 HydrophobicContact CE3-CD1 3.82Å; W291-L295 HydrophobicContact CE3-CD2 4.36Å; W291-L295 HydrophobicContact CE3-CG 3.83Å; W291-L295 HydrophobicContact CZ3-CD1 4.27Å; W291-L295 HydrophobicContact CZ3-CD2 4.09Å; W291-L295 HydrophobicContact CZ3-CG 4.07Å; W291-L295 PolarHBondContact O-N 2.91Å; W291-L329 HydrophobicContact CH2-CB 3.52Å; W291-L329 WeakPolarHBondContact CH2-O 3.26Å; W291-L329 VanDerWaalsContact CZ2-C 3.46Å; W291-L329 HydrophobicContact CZ2-CB 4.04Å; W291-L329 HydrophobicContact CZ2-CD2 4.44Å; W291-L329 WeakPolarHBondContact CZ2-O 3.32Å; W291-L329 HydrophobicContact CZ3-CB 4.13Å; W291-L333 HydrophobicContact CH2-CB 3.94Å; W291-L333 HydrophobicContact CZ2-CB 3.42Å; W291-L333 VanDerWaalsContact CZ2-CB 3.42Å; W291-L333 HydrophobicContact CZ2-CG 4.43Å
292	Q	48	Very low	48.3	Very low	43 Å²	43	64.3 Å²	64.3	20%	0.201	34%	0.337	C	S	.	.	H	α-helix	trans	-54.7	-39.2	178.8	-166.8	172.4	1.1	0	0	112.6	I288 N294 L295 N296	I288-Q292 PolarHBondContact O-N 3.25Å; Q292-N294 PolarHBondContact O-N 3.38Å; Q292-L295 PolarHBondContact O-N 3.21Å; Q292-N296 WeakPolarHBondContact O-CB 3.27Å; Q292-N296 PolarHBondContact O-N 2.79Å; Q292-N296 PolarHBondContact O-ND2 3.11Å; Q292-N296 PolarHBondContact O-OD1 2.68Å
293	P	58.1	Low	47.7	Very low	61 Å²	61	64.3 Å²	64.3	40%	0.396	34%	0.341	S	S	.	.	H	α-helix	trans	-61.2	-40.1	172.1	-23.7	35.5	0	0	0	113.4	D289 W291 N296 N297	D289-P293 VanDerWaalsContact O-CD 3.3Å; D289-P293 WeakPolarHBondContact O-CD 3.48Å; W291-P293 VanDerWaalsContact C-CD 3.44Å; W291-P293 VanDerWaalsContact C-N 3.31Å; P293-N296 PolarHBondContact O-N 3.43Å; P293-N297 WeakPolarHBondContact O-CB 3.34Å; P293-N297 PolarHBondContact O-N 2.99Å; P293-N297 PolarHBondContact O-ND2 3.49Å; P293-N297 PolarHBondContact O-OD1 2.9Å
294	N	53.1	Low	47.1	Very low	67 Å²	67	66.1 Å²	66.1	36%	0.358	36%	0.363	S	S	.	.	H	α-helix	trans	-70.8	-35.4	-179.5	-58.2	-32.1	0	0	0	112	K290 W291 Q292 L298 L329	K290-N294 PolarHBondContact O-ND2 2.8Å; W291-N294 WeakPolarHBondContact O-CB 3.26Å; W291-N294 PolarHBondContact O-N 3.12Å; Q292-N294 PolarHBondContact O-N 3.38Å; N294-L298 PolarHBondContact O-N 2.91Å; N294-L329 HydrophobicContact CB-CD1 4.18Å; N294-L329 HydrophobicContact CB-CD2 3.71Å
295	L	50	Low	46.8	Very low	7 Å²	7	68.3 Å²	68.3	4%	0.037	38%	0.378	C	S	.	.	H	α-helix	trans	-70.8	-33.5	172.4	-74.8	170.4	0	0	0	112.6	C97 K100 W291 Q292 L298 L326	C97-L295 HydrophobicContact CB-CD1 4.09Å; K100-L295 WeakPolarHBondContact CE-O 3.38Å; W291-L295 HydrophobicContact CE3-CD1 3.82Å; W291-L295 HydrophobicContact CE3-CD2 4.36Å; W291-L295 HydrophobicContact CE3-CG 3.83Å; W291-L295 HydrophobicContact CZ3-CD1 4.27Å; W291-L295 HydrophobicContact CZ3-CD2 4.09Å; W291-L295 HydrophobicContact CZ3-CG 4.07Å; W291-L295 PolarHBondContact O-N 2.91Å; Q292-L295 PolarHBondContact O-N 3.21Å; L295-L298 HydrophobicContact CD2-CD1 4.31Å; L295-L298 PolarHBondContact O-N 3.43Å; L295-L326 HydrophobicContact CD2-CD1 4.43Å
296	N	53.8	Low	46.3	Very low	92 Å²	92	74.4 Å²	74.4	49%	0.492	42%	0.416	S	S	.	.	H	α-helix	trans	-69.2	-41.5	174.4	-70	-6.6	0	0	0	111.2	Q292 P293 L298	Q292-N296 WeakPolarHBondContact O-CB 3.27Å; Q292-N296 PolarHBondContact O-N 2.79Å; Q292-N296 PolarHBondContact O-ND2 3.11Å; Q292-N296 PolarHBondContact O-OD1 2.68Å; P293-N296 PolarHBondContact O-N 3.43Å; N296-L298 PolarHBondContact O-N 3.39Å
297	N	56.8	Low	45.5	Very low	121 Å²	121	75.6 Å²	75.6	65%	0.647	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-1.2	177.8	-64.7	-3	0	0	0	113.7	P293 E299	P293-N297 WeakPolarHBondContact O-CB 3.34Å; P293-N297 PolarHBondContact O-N 2.99Å; P293-N297 PolarHBondContact O-ND2 3.49Å; P293-N297 PolarHBondContact O-OD1 2.9Å; N297-E299 PolarHBondContact O-N 2.94Å
298	L	47.6	Very low	45	Very low	7 Å²	7	82.4 Å²	82.4	4%	0.037	47%	0.465	C	S	.	.			trans	-76.5	80.1	159.4	-70.8	171.1	0	0	0	108.5	K100 L104 N294 L295 N296 I300 K325 L326 L329	K100-L298 PolarHBondContact NZ-O 2.79Å; L104-L298 HydrophobicContact CD1-CD1 4.05Å; N294-L298 PolarHBondContact O-N 2.91Å; L295-L298 HydrophobicContact CD2-CD1 4.31Å; L295-L298 PolarHBondContact O-N 3.43Å; N296-L298 PolarHBondContact O-N 3.39Å; L298-I300 PolarHBondContact O-N 3.49Å; L298-K325 HydrophobicContact CD2-CB 3.94Å; L298-K325 HydrophobicContact CD2-CD 4.4Å; L298-L326 HydrophobicContact CD1-CB 4.34Å; L298-L326 HydrophobicContact CD1-CD1 3.88Å; L298-L329 HydrophobicContact CD1-CD1 4.2Å; L298-L329 HydrophobicContact CG-CD1 4.49Å
299	E	46.7	Very low	44.6	Very low	145 Å²	145	90.1 Å²	90.1	68%	0.678	51%	0.505	S	S	*	.			trans	-61.7	115.5	167.3	-70.2	-178.3	150	0	0	108.8	N297 N322	N297-E299 PolarHBondContact O-N 2.94Å; E299-N322 PolarHBondContact O-ND2 2.99Å
300	I	44.5	Very low	43.9	Very low	44 Å²	44	93.8 Å²	93.8	23%	0.226	53%	0.525	C	S	.	.			trans	-86	113.3	163	-51.6	-178	0	0	0	103.7	L104 H107 L298 S302	L104-I300 HydrophobicContact CD2-CD1 3.57Å; L104-I300 HydrophobicContact CD2-CG1 3.61Å; L104-I300 HydrophobicContact CG-CD1 3.98Å; L104-I300 HydrophobicContact CG-CG1 4.5Å; H107-I300 HydrophobicContact CB-CG2 4.36Å; L298-I300 PolarHBondContact O-N 3.49Å; I300-S302 PolarHBondContact O-N 3.3Å
301	N	38.4	Very low	42.6	Very low	103 Å²	103	91.9 Å²	91.9	55%	0.551	54%	0.539	S	S	*	.			trans	-70	75.9	174.4	-83.2	-18.6	0	0	0	109.2	N303 E318	N301-N303 PolarHBondContact O-N 3.2Å; N301-N303 VanDerWaalsContact O-N 3.15Å; N301-E318 PolarHBondContact ND2-OE2 3.43Å
302	S	34.9	Very low	41.9	Very low	86 Å²	86	95.2 Å²	95.2	60%	0.601	57%	0.566	S	S	*	*			trans	-80.1	22.4	177.3	66.3	0	0	0	0	112.7	I300 S304	I300-S302 PolarHBondContact O-N 3.3Å; S302-S304 PolarHBondContact O-N 3.24Å
303	N	33.9	Very low	41.6	Very low	117 Å²	117	100.8 Å²	100.8	63%	0.626	60%	0.597	S	S	*	*			trans	-75.8	79.9	166.6	-88.3	47.2	0	0	0	108.6	N301 D305	N301-N303 PolarHBondContact O-N 3.2Å; N301-N303 VanDerWaalsContact O-N 3.15Å; N303-D305 WeakPolarHBondContact CB-OD2 3.37Å; N303-D305 PolarHBondContact ND2-OD2 3.32Å; N303-D305 PolarHBondContact O-N 3.26Å
304	S	33.5	Very low	40.7	Very low	111 Å²	111	106.8 Å²	106.8	78%	0.776	61%	0.612	S	S	*	*			trans	-71.1	62.9	153.5	62.5	0	0	0	0	108.6	S302 T306	S302-S304 PolarHBondContact O-N 3.24Å; S304-T306 PolarHBondContact O-N 3.38Å
305	D	36.1	Very low	40.2	Very low	122 Å²	122	107.9 Å²	107.9	65%	0.652	62%	0.624	S	S	*	*			trans	-61.8	120.3	175.2	-90.4	-52.7	0	0	0	108.2	N303 G307	N303-D305 WeakPolarHBondContact CB-OD2 3.37Å; N303-D305 PolarHBondContact ND2-OD2 3.32Å; N303-D305 PolarHBondContact O-N 3.26Å; D305-G307 PolarHBondContact O-N 3.1Å
306	T	33.4	Very low	39.7	Very low	153 Å²	153	111.8 Å²	111.8	94%	0.939	65%	0.649	S	S	*	*			trans	-78.1	55.3	177.6	54.1	0	0	0	0	110.3	S304	S304-T306 PolarHBondContact O-N 3.38Å
307	G	32.2	Very low	38.9	Very low	58 Å²	58	112.9 Å²	112.9	60%	0.598	65%	0.654	S	S	*	*			trans	-125.5	112.3	-171.7	0	0	0	0	0	112.5	D305	D305-G307 PolarHBondContact O-N 3.1Å
308	D	35.4	Very low	38.1	Very low	157 Å²	157	111.3 Å²	111.3	84%	0.84	64%	0.643	S	S	*	*			trans	37.1	101.9	163.5	-65.1	-33.8	0	0	0	118.8	N310	D308-N310 PolarHBondContact O-N 3.13Å
309	L	35.7	Very low	37.6	Very low	180 Å²	180	113.3 Å²	113.3	94%	0.942	66%	0.658	S	S	*	*			trans	-64.9	73.1	163.9	-72.2	168.5	0	0	0	112
310	N	38.2	Very low	37.1	Very low	156 Å²	156	112.7 Å²	112.7	83%	0.834	66%	0.655	S	S	*	*			trans	-149.2	78.8	169.6	-96.2	-51.7	0	0	0	113.3	D308	D308-N310 PolarHBondContact O-N 3.13Å
311	G	32.4	Very low	37.3	Very low	80 Å²	80	112.6 Å²	112.6	83%	0.825	66%	0.658	S	S	*	*			trans	85.6	81.7	146.4	0	0	0	0	0	118.6
312	S	37.1	Very low	37.4	Very low	89 Å²	89	109.4 Å²	109.4	62%	0.622	64%	0.641	S	S	*	*			trans	-156.3	122.8	148.9	-143.6	0	0	0	0	112.7	R314	S312-R314 PolarHBondContact O-N 3.21Å
313	N	42.5	Very low	37.6	Very low	161 Å²	161	109.5 Å²	109.5	86%	0.861	64%	0.635	S	S	*	*			trans	-76.4	50.3	174.5	-69.2	1.9	0	0	0	111.4
314	R	39.5	Very low	38.2	Very low	186 Å²	186	106.7 Å²	106.7	70%	0.702	63%	0.625	S	S	*	*			trans	-102.7	-24.8	-163.6	-133.7	175	-173.1	177.7	1.2	115	S312	S312-R314 PolarHBondContact O-N 3.21Å
315	S	42.6	Very low	38.8	Very low	90 Å²	90	105.8 Å²	105.8	63%	0.629	61%	0.607	S	S	*	*	S	Bend	trans	-71.8	-35.8	-175.1	48.5	0	0	0	0	114.4	N317 E318	S315-N317 PolarHBondContact O-N 2.93Å; S315-E318 PolarHBondContact O-N 2.83Å
316	V	39.7	Very low	39.1	Very low	90 Å²	90	101.4 Å²	101.4	55%	0.545	58%	0.583	S	S	.	*	H	α-helix	trans	-64	-41.5	-172.9	-175.9	0	0	0	0	112.2	E318 S319	V316-E318 VanDerWaalsContact C-N 3.28Å; V316-E318 PolarHBondContact O-N 2.66Å; V316-S319 PolarHBondContact O-OG 3.16Å
317	N	36.3	Very low	39.5	Very low	114 Å²	114	96.4 Å²	96.4	61%	0.61	55%	0.554	S	S	*	*	H	α-helix	trans	-68.9	-23.7	-177.1	-67.5	-4.9	0	0	0	113.5	S315 S321	S315-N317 PolarHBondContact O-N 2.93Å; N317-S321 PolarHBondContact O-N 2.72Å
318	E	38.6	Very low	40.2	Very low	88 Å²	88	99.1 Å²	99.1	41%	0.411	55%	0.551	S	S	.	*	H	α-helix	trans	-77.3	-37.8	-177.9	-65.6	-168.7	168.5	0	0	112	N301 S315 V316 S321 N322	N301-E318 PolarHBondContact ND2-OE2 3.43Å; S315-E318 PolarHBondContact O-N 2.83Å; V316-E318 VanDerWaalsContact C-N 3.28Å; V316-E318 PolarHBondContact O-N 2.66Å; E318-S321 WeakPolarHBondContact O-CB 3.34Å; E318-S321 PolarHBondContact O-N 3.39Å; E318-S321 PolarHBondContact O-OG 3.33Å; E318-N322 PolarHBondContact O-N 2.97Å
319	S	37.1	Very low	40.6	Very low	49 Å²	49	92.8 Å²	92.8	34%	0.343	52%	0.517	S	S	.	.	H	α-helix	trans	-69.4	-43.2	-178.7	65.8	0	0	0	0	112.3	V316 S321 N322 N323	V316-S319 PolarHBondContact O-OG 3.16Å; S319-S321 VanDerWaalsContact C-N 3.29Å; S319-S321 PolarHBondContact O-N 3.08Å; S319-N322 PolarHBondContact O-N 2.65Å; S319-N322 VanDerWaalsContact O-N 3.13Å; S319-N323 PolarHBondContact O-N 3.03Å
320	E	36.6	Very low	41	Very low	132 Å²	132	86.1 Å²	86.1	62%	0.617	48%	0.483	S	S	*	.	H	α-helix	trans	-58.8	-41.5	170.5	-68.6	-163.9	139.8	0	0	111.6	N322 N323 S324	E320-N322 VanDerWaalsContact C-N 3.27Å; E320-N322 PolarHBondContact O-N 3.29Å; E320-N323 PolarHBondContact O-N 2.61Å; E320-S324 WeakPolarHBondContact O-CB 3.39Å; E320-S324 PolarHBondContact O-N 3.46Å
321	S	49.6	Very low	41.2	Very low	43 Å²	43	83.4 Å²	83.4	30%	0.301	47%	0.467	S	S	.	.	H	α-helix	trans	-60.3	-38.4	176.3	92.7	0	0	0	0	111.8	N317 E318 S319 K325	N317-S321 PolarHBondContact O-N 2.72Å; E318-S321 WeakPolarHBondContact O-CB 3.34Å; E318-S321 PolarHBondContact O-N 3.39Å; E318-S321 PolarHBondContact O-OG 3.33Å; S319-S321 VanDerWaalsContact C-N 3.29Å; S319-S321 PolarHBondContact O-N 3.08Å; S321-K325 WeakPolarHBondContact O-CB 3.49Å; S321-K325 WeakPolarHBondContact O-CD 3.08Å; S321-K325 WeakPolarHBondContact O-CE 3.14Å; S321-K325 WeakPolarHBondContact O-CG 3.23Å; S321-K325 PolarHBondContact O-N 3.49Å; S321-K325 WeakPolarHBondContact OG-CE 3.41Å; S321-K325 PolarHBondContact OG-NZ 3.29Å
322	N	41.1	Very low	41.8	Very low	35 Å²	35	84 Å²	84	19%	0.187	45%	0.451	C	S	.	.	H	α-helix	trans	-76.3	-37.6	-178.9	-78	-4.9	0	0	0	112.5	E299 E318 S319 E320 S324 K325 L326	E299-N322 PolarHBondContact O-ND2 2.99Å; E318-N322 PolarHBondContact O-N 2.97Å; S319-N322 PolarHBondContact O-N 2.65Å; S319-N322 VanDerWaalsContact O-N 3.13Å; E320-N322 VanDerWaalsContact C-N 3.27Å; E320-N322 PolarHBondContact O-N 3.29Å; N322-S324 VanDerWaalsContact C-N 3.34Å; N322-K325 PolarHBondContact O-N 3.46Å; N322-K325 PolarHBondContact OD1-NZ 3.39Å; N322-L326 WeakPolarHBondContact O-CB 3.2Å; N322-L326 PolarHBondContact O-N 2.65Å
323	N	38.9	Very low	42.1	Very low	88 Å²	88	82.1 Å²	82.1	47%	0.471	43%	0.434	S	S	.	.	H	α-helix	trans	-64.1	-39.2	171.2	-73.7	-21.9	0	0	0	111.9	S319 E320 S327	S319-N323 PolarHBondContact O-N 3.03Å; E320-N323 PolarHBondContact O-N 2.61Å; N323-S327 WeakPolarHBondContact O-CB 3.4Å; N323-S327 PolarHBondContact O-N 3.18Å; N323-S327 PolarHBondContact O-OG 3.01Å
324	S	46	Very low	42.1	Very low	59 Å²	59	77.9 Å²	77.9	41%	0.413	41%	0.409	S	S	.	.	H	α-helix	trans	-64.5	-47.1	173.6	-175.2	0	0	0	0	112	E320 N322 L326 S327 Q328	E320-S324 WeakPolarHBondContact O-CB 3.39Å; E320-S324 PolarHBondContact O-N 3.46Å; N322-S324 VanDerWaalsContact C-N 3.34Å; S324-L326 PolarHBondContact O-N 3.29Å; S324-S327 PolarHBondContact O-N 2.89Å; S324-Q328 WeakPolarHBondContact O-CB 3.22Å; S324-Q328 VanDerWaalsContact O-CG 3.28Å; S324-Q328 WeakPolarHBondContact O-CG 3.35Å; S324-Q328 PolarHBondContact O-N 2.69Å; S324-Q328 PolarHBondContact OG-NE2 3.43Å
325	K	46.1	Very low	42.4	Very low	92 Å²	92	75.3 Å²	75.3	40%	0.4	40%	0.403	S	S	.	.	H	α-helix	trans	-57.8	-47.1	174.2	-70.7	162	-152.3	160.7	0	111.8	L298 S321 N322 S327 Q328 L329	L298-K325 HydrophobicContact CD2-CB 3.94Å; L298-K325 HydrophobicContact CD2-CD 4.4Å; S321-K325 WeakPolarHBondContact O-CB 3.49Å; S321-K325 WeakPolarHBondContact O-CD 3.08Å; S321-K325 WeakPolarHBondContact O-CE 3.14Å; S321-K325 WeakPolarHBondContact O-CG 3.23Å; S321-K325 PolarHBondContact O-N 3.49Å; S321-K325 WeakPolarHBondContact OG-CE 3.41Å; S321-K325 PolarHBondContact OG-NZ 3.29Å; N322-K325 PolarHBondContact O-N 3.46Å; N322-K325 PolarHBondContact OD1-NZ 3.39Å; K325-S327 VanDerWaalsContact C-N 3.33Å; K325-S327 PolarHBondContact O-N 2.67Å; K325-Q328 PolarHBondContact O-N 3.18Å; K325-L329 WeakPolarHBondContact O-CB 3.3Å; K325-L329 VanDerWaalsContact O-CG 3.26Å; K325-L329 WeakPolarHBondContact O-CG 3.45Å; K325-L329 PolarHBondContact O-N 2.77Å
326	L	42.9	Very low	42.4	Very low	30 Å²	30	73.4 Å²	73.4	16%	0.157	39%	0.385	C	S	.	.	H	α-helix	trans	-61.9	-40.1	179.1	-179.2	61.7	0	0	0	111.8	L295 L298 N322 S324 L329 L330	L295-L326 HydrophobicContact CD2-CD1 4.43Å; L298-L326 HydrophobicContact CD1-CB 4.34Å; L298-L326 HydrophobicContact CD1-CD1 3.88Å; N322-L326 WeakPolarHBondContact O-CB 3.2Å; N322-L326 PolarHBondContact O-N 2.65Å; S324-L326 PolarHBondContact O-N 3.29Å; L326-L329 WeakPolarHBondContact O-CB 3.23Å; L326-L329 PolarHBondContact O-N 2.76Å; L326-L330 HydrophobicContact CD1-CD1 4.32Å; L326-L330 HydrophobicContact CG-CD1 4.14Å; L326-L330 WeakPolarHBondContact O-CG 3.42Å; L326-L330 PolarHBondContact O-N 3.41Å
327	S	40.9	Very low	42.6	Very low	47 Å²	47	72.4 Å²	72.4	33%	0.329	38%	0.376	S	S	.	.	H	α-helix	trans	-69.4	-44.4	177.4	-57	0	0	0	0	112.5	N323 S324 K325 L329 L330 L331	N323-S327 WeakPolarHBondContact O-CB 3.4Å; N323-S327 PolarHBondContact O-N 3.18Å; N323-S327 PolarHBondContact O-OG 3.01Å; S324-S327 PolarHBondContact O-N 2.89Å; K325-S327 VanDerWaalsContact C-N 3.33Å; K325-S327 PolarHBondContact O-N 2.67Å; S327-L329 VanDerWaalsContact C-N 3.28Å; S327-L329 PolarHBondContact O-N 3.26Å; S327-L330 PolarHBondContact O-N 2.86Å; S327-L331 PolarHBondContact O-N 2.64Å
328	Q	46.1	Very low	42.8	Very low	116 Å²	116	70.7 Å²	70.7	54%	0.542	37%	0.366	S	S	.	.	H	α-helix	trans	-60.5	-39.2	173.6	-72	175.3	44.8	0	0	111.8	S324 K325 L332	S324-Q328 WeakPolarHBondContact O-CB 3.22Å; S324-Q328 VanDerWaalsContact O-CG 3.28Å; S324-Q328 WeakPolarHBondContact O-CG 3.35Å; S324-Q328 PolarHBondContact O-N 2.69Å; S324-Q328 PolarHBondContact OG-NE2 3.43Å; K325-Q328 PolarHBondContact O-N 3.18Å; Q328-L332 WeakPolarHBondContact O-CG 3.09Å; Q328-L332 PolarHBondContact O-N 2.84Å
329	L	45.6	Very low	43.2	Very low	24 Å²	24	71.7 Å²	71.7	13%	0.126	37%	0.371	C	S	.	.	H	α-helix	trans	-60	-58.7	170.3	-77	170.4	0	0	0	109.8	W291 N294 L298 K325 L326 S327 L331 L332 L333	W291-L329 HydrophobicContact CH2-CB 3.52Å; W291-L329 WeakPolarHBondContact CH2-O 3.26Å; W291-L329 VanDerWaalsContact CZ2-C 3.46Å; W291-L329 HydrophobicContact CZ2-CB 4.04Å; W291-L329 HydrophobicContact CZ2-CD2 4.44Å; W291-L329 WeakPolarHBondContact CZ2-O 3.32Å; W291-L329 HydrophobicContact CZ3-CB 4.13Å; N294-L329 HydrophobicContact CB-CD1 4.18Å; N294-L329 HydrophobicContact CB-CD2 3.71Å; L298-L329 HydrophobicContact CD1-CD1 4.2Å; L298-L329 HydrophobicContact CG-CD1 4.49Å; K325-L329 WeakPolarHBondContact O-CB 3.3Å; K325-L329 VanDerWaalsContact O-CG 3.26Å; K325-L329 WeakPolarHBondContact O-CG 3.45Å; K325-L329 PolarHBondContact O-N 2.77Å; L326-L329 WeakPolarHBondContact O-CB 3.23Å; L326-L329 PolarHBondContact O-N 2.76Å; S327-L329 VanDerWaalsContact C-N 3.28Å; S327-L329 PolarHBondContact O-N 3.26Å; L329-L331 PolarHBondContact O-N 3.34Å; L329-L332 WeakPolarHBondContact O-CA 3.14Å; L329-L332 VanDerWaalsContact O-CB 3.3Å; L329-L332 WeakPolarHBondContact O-CB 3.44Å; L329-L332 PolarHBondContact O-N 2.8Å; L329-L333 PolarHBondContact O-N 2.72Å; L329-L333 VanDerWaalsContact O-N 3.15Å
330	L	43.7	Very low	43.5	Very low	40 Å²	40	70 Å²	70	21%	0.209	36%	0.358	C	S	.	.	H	α-helix	trans	-55	-35.3	-175.8	-72.3	163	0	0	0	113.4	Y142 L326 S327 L332 L333 H334	Y142-L330 HydrophobicContact CE1-CB 4.28Å; Y142-L330 HydrophobicContact CE1-CD1 4.24Å; Y142-L330 HydrophobicContact CE2-CD1 4.12Å; Y142-L330 WeakPolarHBondContact OH-CB 3.34Å; Y142-L330 WeakPolarHBondContact OH-CD1 3.29Å; L326-L330 HydrophobicContact CD1-CD1 4.32Å; L326-L330 HydrophobicContact CG-CD1 4.14Å; L326-L330 WeakPolarHBondContact O-CG 3.42Å; L326-L330 PolarHBondContact O-N 3.41Å; S327-L330 PolarHBondContact O-N 2.86Å; L330-L332 VanDerWaalsContact C-N 3.34Å; L330-L332 PolarHBondContact O-N 2.65Å; L330-L333 PolarHBondContact O-N 2.81Å; L330-H334 PolarHBondContact O-N 2.79Å; L330-H334 VanDerWaalsContact O-N 3.09Å
331	L	42.1	Very low	43.6	Very low	99 Å²	99	68.4 Å²	68.4	52%	0.518	35%	0.35	S	S	.	.	H	α-helix	trans	-61.3	-33	170.1	-83.6	159.2	0	0	0	114.6	S327 L329 K335	S327-L331 PolarHBondContact O-N 2.64Å; L329-L331 PolarHBondContact O-N 3.34Å; L331-K335 WeakPolarHBondContact O-CD 3.26Å; L331-K335 VanDerWaalsContact O-CG 3.31Å; L331-K335 WeakPolarHBondContact O-CG 3.4Å; L331-K335 PolarHBondContact O-N 3.33Å
332	L	44.6	Very low	43.1	Very low	93 Å²	93	69.4 Å²	69.4	49%	0.487	36%	0.355	S	S	.	.	H	α-helix	trans	-73.6	-37.4	173.1	-68.5	164.8	0	0	0	112.1	Q328 L329 L330 H334 K335 D336	Q328-L332 WeakPolarHBondContact O-CG 3.09Å; Q328-L332 PolarHBondContact O-N 2.84Å; L329-L332 WeakPolarHBondContact O-CA 3.14Å; L329-L332 VanDerWaalsContact O-CB 3.3Å; L329-L332 WeakPolarHBondContact O-CB 3.44Å; L329-L332 PolarHBondContact O-N 2.8Å; L330-L332 VanDerWaalsContact C-N 3.34Å; L330-L332 PolarHBondContact O-N 2.65Å; L332-H334 VanDerWaalsContact C-N 3.34Å; L332-K335 PolarHBondContact O-N 3.47Å; L332-D336 PolarHBondContact O-N 3.47Å
333	L	43.9	Very low	43.2	Very low	48 Å²	48	72.4 Å²	72.4	25%	0.251	37%	0.366	S	S	.	.	H	α-helix	trans	-61.6	-46.3	175.1	-175.8	59	0	0	0	110.7	I287 W291 L329 L330 K335 D336 I337	I287-L333 HydrophobicContact CG2-CD1 3.57Å; W291-L333 HydrophobicContact CH2-CB 3.94Å; W291-L333 HydrophobicContact CZ2-CB 3.42Å; W291-L333 VanDerWaalsContact CZ2-CB 3.42Å; W291-L333 HydrophobicContact CZ2-CG 4.43Å; L329-L333 PolarHBondContact O-N 2.72Å; L329-L333 VanDerWaalsContact O-N 3.15Å; L330-L333 PolarHBondContact O-N 2.81Å; L333-K335 VanDerWaalsContact C-N 3.31Å; L333-K335 PolarHBondContact O-N 2.85Å; L333-D336 PolarHBondContact O-N 2.79Å; L333-I337 HydrophobicContact CD1-CD1 4Å; L333-I337 HydrophobicContact CD1-CG1 4.27Å; L333-I337 HydrophobicContact CD2-CD1 4.45Å; L333-I337 HydrophobicContact CG-CD1 3.8Å; L333-I337 HydrophobicContact CG-CG1 4.43Å; L333-I337 WeakPolarHBondContact O-CB 3.31Å; L333-I337 WeakPolarHBondContact O-CG1 3.33Å; L333-I337 PolarHBondContact O-N 2.79Å
334	H	42.6	Very low	43.3	Very low	73 Å²	73	70.9 Å²	70.9	34%	0.338	36%	0.358	S	S	.	.	H	α-helix	trans	-57	-43.8	177.5	-174.5	85.1	0	0	0	111.7	Y145 L330 L332 I337 I338	Y145-H334 AromaticContact CE1-CE1 3.71Å; Y145-H334 AromaticContact CZ-CE1 3.86Å; L330-H334 PolarHBondContact O-N 2.79Å; L330-H334 VanDerWaalsContact O-N 3.09Å; L332-H334 VanDerWaalsContact C-N 3.34Å; H334-I337 PolarHBondContact O-N 2.99Å; H334-I338 VanDerWaalsContact NE2-CD1 3.32Å; H334-I338 WeakPolarHBondContact NE2-CD1 3.01Å; H334-I338 WeakPolarHBondContact O-CG1 3.37Å; H334-I338 PolarHBondContact O-N 3Å
335	K	45.4	Very low	42.9	Very low	131 Å²	131	71.8 Å²	71.8	57%	0.57	36%	0.355	S	S	*	.	H	α-helix	trans	-64.4	-44	175.2	-72.4	166.9	-176.9	172.1	0	113	L331 L332 L333 I338 H339	L331-K335 WeakPolarHBondContact O-CD 3.26Å; L331-K335 VanDerWaalsContact O-CG 3.31Å; L331-K335 WeakPolarHBondContact O-CG 3.4Å; L331-K335 PolarHBondContact O-N 3.33Å; L332-K335 PolarHBondContact O-N 3.47Å; L333-K335 VanDerWaalsContact C-N 3.31Å; L333-K335 PolarHBondContact O-N 2.85Å; K335-I338 PolarHBondContact O-N 3.24Å; K335-H339 WeakPolarHBondContact O-CB 3.15Å; K335-H339 PolarHBondContact O-N 3.29Å
336	D	43.5	Very low	42.5	Very low	50 Å²	50	73 Å²	73	27%	0.267	37%	0.366	S	S	.	.	H	α-helix	trans	-66.3	-36.9	178.1	-109.2	22.6	0	0	0	111.6	K290 L332 L333 L340	K290-D336 IonicContact NZ-OD1 3.91Å; K290-D336 IonicContact NZ-OD2 2.75Å; K290-D336 PolarHBondContact NZ-OD2 3.07Å; L332-D336 PolarHBondContact O-N 3.47Å; L333-D336 PolarHBondContact O-N 2.79Å; D336-L340 WeakPolarHBondContact O-CB 3.41Å; D336-L340 PolarHBondContact O-N 3.09Å
337	I	42.2	Very low	42	Very low	69 Å²	69	76.3 Å²	76.3	35%	0.354	38%	0.381	S	S	.	.	H	α-helix	trans	-68.1	-46.2	175.1	-69.9	173.2	0	0	0	111.4	L333 H334 H339 L340 Q341	L333-I337 HydrophobicContact CD1-CD1 4Å; L333-I337 HydrophobicContact CD1-CG1 4.27Å; L333-I337 HydrophobicContact CD2-CD1 4.45Å; L333-I337 HydrophobicContact CG-CD1 3.8Å; L333-I337 HydrophobicContact CG-CG1 4.43Å; L333-I337 WeakPolarHBondContact O-CB 3.31Å; L333-I337 WeakPolarHBondContact O-CG1 3.33Å; L333-I337 PolarHBondContact O-N 2.79Å; H334-I337 PolarHBondContact O-N 2.99Å; I337-H339 PolarHBondContact O-N 2.68Å; I337-L340 WeakPolarHBondContact O-CB 3.23Å; I337-L340 PolarHBondContact O-N 2.73Å; I337-Q341 PolarHBondContact O-N 3.05Å
338	I	41.2	Very low	41.6	Very low	79 Å²	79	79.3 Å²	79.3	41%	0.405	40%	0.399	S	S	.	.	H	α-helix	trans	-60.8	-46	175.2	-73.3	174.2	0	0	0	110.3	H334 K335 L340 Q341 T342	H334-I338 VanDerWaalsContact NE2-CD1 3.32Å; H334-I338 WeakPolarHBondContact NE2-CD1 3.01Å; H334-I338 WeakPolarHBondContact O-CG1 3.37Å; H334-I338 PolarHBondContact O-N 3Å; K335-I338 PolarHBondContact O-N 3.24Å; I338-L340 VanDerWaalsContact C-N 3.28Å; I338-L340 PolarHBondContact O-N 3.48Å; I338-Q341 PolarHBondContact O-N 2.9Å; I338-Q341 VanDerWaalsContact O-N 3.15Å; I338-T342 PolarHBondContact O-N 3.47Å; I338-T342 PolarHBondContact O-OG1 3.34Å; I338-T342 VanDerWaalsContact O-OG1 3.11Å
339	H	46.6	Very low	40.9	Very low	109 Å²	109	78.4 Å²	78.4	51%	0.505	40%	0.397	S	S	.	.	H	α-helix	trans	-60	-38.7	176.3	-175.7	81.8	0	0	0	111.9	K335 I337 K343	K335-H339 WeakPolarHBondContact O-CB 3.15Å; K335-H339 PolarHBondContact O-N 3.29Å; I337-H339 PolarHBondContact O-N 2.68Å; H339-K343 WeakPolarHBondContact O-CB 3.37Å; H339-K343 PolarHBondContact O-N 2.89Å
340	L	44	Very low	40.2	Very low	14 Å²	14	86.4 Å²	86.4	7%	0.073	43%	0.431	C	S	.	.	H	α-helix	trans	-63.2	-46.3	173.5	175.5	59.4	0	0	0	111.9	K283 F284 I287 D336 I337 I338 K343 L344	K283-L340 HydrophobicContact CB-CD1 4.08Å; K283-L340 HydrophobicContact CB-CD2 4.39Å; K283-L340 HydrophobicContact CD-CD1 3.51Å; K283-L340 HydrophobicContact CG-CD1 4.39Å; F284-L340 HydrophobicContact CD1-CD2 4.25Å; F284-L340 HydrophobicContact CD2-CD2 4.37Å; F284-L340 HydrophobicContact CE1-CD2 3.97Å; F284-L340 HydrophobicContact CE2-CD2 4.1Å; F284-L340 HydrophobicContact CG-CD2 4.43Å; F284-L340 HydrophobicContact CZ-CD2 3.89Å; I287-L340 HydrophobicContact CD1-CB 4.34Å; I287-L340 HydrophobicContact CD1-CD2 3.74Å; D336-L340 WeakPolarHBondContact O-CB 3.41Å; D336-L340 PolarHBondContact O-N 3.09Å; I337-L340 WeakPolarHBondContact O-CB 3.23Å; I337-L340 PolarHBondContact O-N 2.73Å; I338-L340 VanDerWaalsContact C-N 3.28Å; I338-L340 PolarHBondContact O-N 3.48Å; L340-K343 PolarHBondContact O-N 2.87Å; L340-L344 HydrophobicContact CD1-CD1 3.98Å; L340-L344 HydrophobicContact CD1-CG 4.14Å; L340-L344 HydrophobicContact CG-CD1 4.05Å; L340-L344 WeakPolarHBondContact O-CG 3.49Å; L340-L344 PolarHBondContact O-N 2.66Å
341	Q	38.7	Very low	39.5	Very low	97 Å²	97	91 Å²	91	45%	0.453	45%	0.446	S	S	.	.	H	α-helix	trans	-60.5	-55.6	177.6	177	177	-14.2	0	0	111.2	I337 I338 K343 L344 E345	I337-Q341 PolarHBondContact O-N 3.05Å; I338-Q341 PolarHBondContact O-N 2.9Å; I338-Q341 VanDerWaalsContact O-N 3.15Å; Q341-K343 PolarHBondContact O-N 3.03Å; Q341-K343 VanDerWaalsContact O-N 3.13Å; Q341-L344 WeakPolarHBondContact O-CA 3.46Å; Q341-L344 PolarHBondContact O-N 2.78Å; Q341-E345 HydrophobicContact CG-CG 4.41Å; Q341-E345 VanDerWaalsContact CG-OE1 3.27Å; Q341-E345 WeakPolarHBondContact CG-OE1 3.32Å; Q341-E345 PolarHBondContact NE2-OE1 3.35Å; Q341-E345 WeakPolarHBondContact O-CG 3.42Å; Q341-E345 PolarHBondContact O-N 3.06Å
342	T	39.2	Very low	38.9	Very low	64 Å²	64	92.7 Å²	92.7	39%	0.393	46%	0.456	S	S	.	.	H	α-helix	trans	-57	-32.6	178.3	-55.5	0	0	0	0	111.7	I338 N346	I338-T342 PolarHBondContact O-N 3.47Å; I338-T342 PolarHBondContact O-OG1 3.34Å; I338-T342 VanDerWaalsContact O-OG1 3.11Å; T342-N346 WeakPolarHBondContact CG2-ND2 3.3Å; T342-N346 VanDerWaalsContact O-CB 3.27Å; T342-N346 WeakPolarHBondContact O-CB 3.19Å; T342-N346 PolarHBondContact O-N 3.4Å; T342-N346 PolarHBondContact O-ND2 2.97Å
343	K	43.8	Very low	38	Very low	99 Å²	99	95.7 Å²	95.7	43%	0.43	47%	0.468	S	S	.	.	H	α-helix	trans	-79.5	-20.5	176.4	-169.9	171.5	-167.1	165	0	114.1	H339 L340 Q341 Q347	H339-K343 WeakPolarHBondContact O-CB 3.37Å; H339-K343 PolarHBondContact O-N 2.89Å; L340-K343 PolarHBondContact O-N 2.87Å; Q341-K343 PolarHBondContact O-N 3.03Å; Q341-K343 VanDerWaalsContact O-N 3.13Å; K343-Q347 VanDerWaalsContact O-CB 3.25Å; K343-Q347 WeakPolarHBondContact O-CB 3.14Å; K343-Q347 WeakPolarHBondContact O-CG 3.47Å; K343-Q347 PolarHBondContact O-N 2.74Å
344	L	41.1	Very low	37.3	Very low	55 Å²	55	99.5 Å²	99.5	29%	0.288	49%	0.493	S	S	.	.	H	α-helix	trans	-82	-39.5	170.5	-72.8	167.8	0	0	0	111	I280 L340 Q341	I280-L344 HydrophobicContact CG1-CD2 4.43Å; L340-L344 HydrophobicContact CD1-CD1 3.98Å; L340-L344 HydrophobicContact CD1-CG 4.14Å; L340-L344 HydrophobicContact CG-CD1 4.05Å; L340-L344 WeakPolarHBondContact O-CG 3.49Å; L340-L344 PolarHBondContact O-N 2.66Å; Q341-L344 WeakPolarHBondContact O-CA 3.46Å; Q341-L344 PolarHBondContact O-N 2.78Å
345	E	36.8	Very low	36.7	Very low	78 Å²	78	101 Å²	101	36%	0.364	51%	0.512	S	S	.	.	H	α-helix	trans	-66.2	-43.4	175.3	-68.5	164.9	170.8	0	0	111.9	Q341 F366	Q341-E345 HydrophobicContact CG-CG 4.41Å; Q341-E345 VanDerWaalsContact CG-OE1 3.27Å; Q341-E345 WeakPolarHBondContact CG-OE1 3.32Å; Q341-E345 PolarHBondContact NE2-OE1 3.35Å; Q341-E345 WeakPolarHBondContact O-CG 3.42Å; Q341-E345 PolarHBondContact O-N 3.06Å; E345-F366 HydrophobicContact CG-CD1 4.16Å; E345-F366 HydrophobicContact CG-CE1 4.4Å
346	N	36.9	Very low	35.8	Very low	119 Å²	119	99.6 Å²	99.6	64%	0.636	51%	0.509	S	S	*	.	S	Bend	trans	-88.2	2	-179.1	-68.8	-73.4	0	0	0	114.8	T342 P348	T342-N346 WeakPolarHBondContact CG2-ND2 3.3Å; T342-N346 VanDerWaalsContact O-CB 3.27Å; T342-N346 WeakPolarHBondContact O-CB 3.19Å; T342-N346 PolarHBondContact O-N 3.4Å; T342-N346 PolarHBondContact O-ND2 2.97Å; N346-P348 WeakPolarHBondContact O-CD 3.08Å
347	Q	33.5	Very low	35	Very low	99 Å²	99	102.1 Å²	102.1	46%	0.463	53%	0.526	S	S	.	.	S	Bend	trans	-96.8	99.2	169.8	-83	-171.6	-23.2	0	0	110.2	K343 I349	K343-Q347 VanDerWaalsContact O-CB 3.25Å; K343-Q347 WeakPolarHBondContact O-CB 3.14Å; K343-Q347 WeakPolarHBondContact O-CG 3.47Å; K343-Q347 PolarHBondContact O-N 2.74Å; Q347-I349 PolarHBondContact O-N 3.22Å
348	P	31.3	Very low	34.3	Very low	110 Å²	110	108.1 Å²	108.1	71%	0.714	55%	0.55	S	S	*	.			trans	-59.7	116.9	170.1	25.2	-33.3	0	0	0	108.6	N346 K350	N346-P348 WeakPolarHBondContact O-CD 3.08Å; P348-K350 VanDerWaalsContact C-N 3.34Å; P348-K350 PolarHBondContact O-N 3.37Å
349	I	32.6	Very low	33.6	Very low	97 Å²	97	112 Å²	112	50%	0.497	57%	0.572	S	S	.	*			trans	-66.6	96.8	176.9	-60.4	174.5	0	0	0	107.1	L276 Q347 Y351	L276-I349 HydrophobicContact CD1-CD1 3.96Å; L276-I349 HydrophobicContact CD2-CD1 3.82Å; Q347-I349 PolarHBondContact O-N 3.22Å; I349-Y351 VanDerWaalsContact C-N 3.33Å; I349-Y351 HydrophobicContact CB-CE2 4.32Å; I349-Y351 HydrophobicContact CG2-CD2 4.22Å; I349-Y351 HydrophobicContact CG2-CE2 3.9Å; I349-Y351 VanDerWaalsContact O-CD2 3.3Å; I349-Y351 WeakPolarHBondContact O-CD2 3.21Å; I349-Y351 PolarHBondContact O-N 3.4Å
350	K	30.5	Very low	32.6	Very low	192 Å²	192	111 Å²	111	84%	0.835	58%	0.582	S	S	*	*			trans	-65.7	94.8	170.8	-72.2	-165.5	174.2	-166.6	0	109.1	P348	P348-K350 VanDerWaalsContact C-N 3.34Å; P348-K350 PolarHBondContact O-N 3.37Å
351	Y	28.1	Very low	31.7	Very low	135 Å²	135	119.6 Å²	119.6	53%	0.529	62%	0.622	S	S	.	*			trans	-64.4	138.3	152.5	-65.2	-90.6	0	0	0	107.8	I349 E353	I349-Y351 VanDerWaalsContact C-N 3.33Å; I349-Y351 HydrophobicContact CB-CE2 4.32Å; I349-Y351 HydrophobicContact CG2-CD2 4.22Å; I349-Y351 HydrophobicContact CG2-CE2 3.9Å; I349-Y351 VanDerWaalsContact O-CD2 3.3Å; I349-Y351 WeakPolarHBondContact O-CD2 3.21Å; I349-Y351 PolarHBondContact O-N 3.4Å; Y351-E353 PolarHBondContact O-N 3.48Å; Y351-E353 VanDerWaalsContact O-N 3.11Å
352	D	30.8	Very low	31.2	Very low	136 Å²	136	123.9 Å²	123.9	73%	0.727	64%	0.639	S	S	*	*			trans	-62.1	114.9	170.2	-66.5	-60.6	0	0	0	108.6	T354	D352-T354 PolarHBondContact O-N 2.79Å
353	E	26.4	Very low	30.8	Very low	156 Å²	156	126.7 Å²	126.7	73%	0.729	66%	0.658	S	S	*	*	S	Bend	trans	-72	1.4	-162.3	-64.6	-176.1	108.2	0	0	114.7	Y351 S355 V357	Y351-E353 PolarHBondContact O-N 3.48Å; Y351-E353 VanDerWaalsContact O-N 3.11Å; E353-S355 VanDerWaalsContact C-N 3.28Å; E353-S355 PolarHBondContact O-N 2.94Å; E353-S355 VanDerWaalsContact O-N 3.09Å; E353-V357 HydrophobicContact CB-CG2 4Å; E353-V357 HydrophobicContact CG-CG2 4.37Å; E353-V357 WeakPolarHBondContact O-CG2 3.45Å
354	T	28.3	Very low	30.2	Very low	128 Å²	128	129.4 Å²	129.4	79%	0.785	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	10.7	-165	51.4	0	0	0	0	115.8	D352	D352-T354 PolarHBondContact O-N 2.79Å
355	S	29.5	Very low	29.8	Very low	104 Å²	104	131.4 Å²	131.4	73%	0.727	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-150.8	-17.3	-178.9	-60.2	0	0	0	0	118.7	E353	E353-S355 VanDerWaalsContact C-N 3.28Å; E353-S355 PolarHBondContact O-N 2.94Å; E353-S355 VanDerWaalsContact O-N 3.09Å
356	I	27.4	Very low	29.6	Very low	101 Å²	101	132.9 Å²	132.9	52%	0.518	69%	0.693	S	S	.	*	T	Hydrogen-bonded Turn	trans	-122.1	-13.9	-163	-54.6	-177.7	0	0	0	114.2	K358	I356-K358 VanDerWaalsContact C-N 3.29Å; I356-K358 PolarHBondContact O-N 2.89Å
357	V	25.6	Very low	29.4	Very low	103 Å²	103	135.2 Å²	135.2	62%	0.624	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	54.5	-163.2	-161	0	0	0	0	114.5	E353	E353-V357 HydrophobicContact CB-CG2 4Å; E353-V357 HydrophobicContact CG-CG2 4.37Å; E353-V357 WeakPolarHBondContact O-CG2 3.45Å
358	K	28.6	Very low	29.5	Very low	196 Å²	196	133.3 Å²	133.3	85%	0.852	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137	-20.2	168.6	-78.2	-166.4	175.2	178	0	116.9	I356	I356-K358 VanDerWaalsContact C-N 3.29Å; I356-K358 PolarHBondContact O-N 2.89Å
359	N	26.5	Very low	29.8	Very low	161 Å²	161	132.5 Å²	132.5	86%	0.861	68%	0.677	S	S	*	*	S	Bend	trans	-113.3	9.8	-169.2	-71.1	4.4	0	0	0	115.8
360	A	25.2	Very low	29.9	Very low	87 Å²	87	130 Å²	130	72%	0.719	67%	0.671	S	S	*	*			trans	-123.4	69.3	-171.6	0	0	0	0	0	113.8	K362	A360-K362 PolarHBondContact O-N 3.22Å
361	Q	23.8	Very low	30.2	Very low	195 Å²	195	123.1 Å²	123.1	91%	0.911	64%	0.642	S	S	*	*			trans	-90.6	78.6	173.1	-76.3	-175.5	-50	0	0	112.6
362	K	30.1	Very low	30.6	Very low	186 Å²	186	117.5 Å²	117.5	81%	0.809	62%	0.622	S	S	*	*	S	Bend	trans	-172.1	139.5	150.1	-107.6	168.1	-176.2	-175	0	110	A360	A360-K362 PolarHBondContact O-N 3.22Å
363	P	28.9	Very low	31	Very low	123 Å²	123	115.6 Å²	115.6	80%	0.799	61%	0.611	S	S	*	*			trans	-70.3	150	173.7	30.6	-34.4	0	0	0	111
364	L	31.2	Very low	31.6	Very low	157 Å²	157	109.4 Å²	109.4	82%	0.822	58%	0.583	S	S	*	*			trans	-72.2	130.6	164.7	-92	70.4	0	0	0	108.8	F366	L364-F366 PolarHBondContact O-N 3.35Å
365	D	34.1	Very low	32	Very low	96 Å²	96	103.9 Å²	103.9	51%	0.513	55%	0.549	S	S	.	.			trans	-86.9	108.3	176.7	-172.7	-2.8	0	0	0	110.2	R367 T368 L369	D365-R367 PolarHBondContact O-N 3.39Å; D365-R367 WeakPolarHBondContact OD1-CA 2.91Å; D365-R367 WeakPolarHBondContact OD1-CB 2.99Å; D365-R367 PolarHBondContact OD1-N 2.86Å; D365-T368 WeakPolarHBondContact CB-OG1 3.42Å; D365-T368 VanDerWaalsContact O-CB 3.27Å; D365-T368 WeakPolarHBondContact O-CB 3.49Å; D365-T368 PolarHBondContact O-N 3.27Å; D365-T368 VanDerWaalsContact O-N 3.08Å; D365-T368 PolarHBondContact OD2-OG1 3.28Å; D365-L369 PolarHBondContact O-N 2.83Å
366	F	31.5	Very low	32.5	Very low	110 Å²	110	102.8 Å²	102.8	48%	0.482	54%	0.538	S	S	.	.	H	α-helix	trans	-63.8	-23.5	175.2	-78.4	-92.4	0	0	0	112.5	E345 L364 T368 L369 A370	E345-F366 HydrophobicContact CG-CD1 4.16Å; E345-F366 HydrophobicContact CG-CE1 4.4Å; L364-F366 PolarHBondContact O-N 3.35Å; F366-T368 VanDerWaalsContact C-N 3.3Å; F366-T368 PolarHBondContact O-N 3.27Å; F366-L369 CarbonylContact O-C 2.92Å; F366-L369 WeakPolarHBondContact O-CA 3.38Å; F366-L369 PolarHBondContact O-N 2.96Å; F366-A370 PolarHBondContact O-N 3.03Å
367	R	34.3	Very low	33.1	Very low	167 Å²	167	99.1 Å²	99.1	63%	0.63	52%	0.518	S	S	*	.	H	α-helix	trans	-61.1	-44.2	171.2	-168.6	-176.2	-176.7	130.9	4	110.1	D365 L369 A370 E371	D365-R367 PolarHBondContact O-N 3.39Å; D365-R367 WeakPolarHBondContact OD1-CA 2.91Å; D365-R367 WeakPolarHBondContact OD1-CB 2.99Å; D365-R367 PolarHBondContact OD1-N 2.86Å; R367-L369 PolarHBondContact O-N 3.15Å; R367-A370 PolarHBondContact O-N 3.21Å; R367-E371 HydrophobicContact CG-CG 4.17Å; R367-E371 WeakPolarHBondContact CG-OE1 3.25Å; R367-E371 IonicContact CZ-OE1 2.65Å; R367-E371 IonicContact NE-OE1 3.24Å; R367-E371 PolarHBondContact NE-OE1 3.2Å; R367-E371 IonicContact NH2-OE1 3.66Å; R367-E371 WeakPolarHBondContact O-CA 3.41Å; R367-E371 WeakPolarHBondContact O-CB 3.22Å; R367-E371 VanDerWaalsContact O-CG 3.31Å; R367-E371 WeakPolarHBondContact O-CG 3.43Å; R367-E371 PolarHBondContact O-N 3.38Å
368	T	35.6	Very low	33.7	Very low	60 Å²	60	96.2 Å²	96.2	37%	0.368	50%	0.499	S	S	.	.	H	α-helix	trans	-63.9	-18.5	172.9	-46.2	0	0	0	0	112.7	I156 D365 F366 S372	I156-T368 HydrophobicContact CD1-CG2 3.71Å; I156-T368 WeakPolarHBondContact CD1-O 3.43Å; I156-T368 HydrophobicContact CG1-CG2 4.44Å; I156-T368 HydrophobicContact CG2-CG2 4Å; D365-T368 WeakPolarHBondContact CB-OG1 3.42Å; D365-T368 VanDerWaalsContact O-CB 3.27Å; D365-T368 WeakPolarHBondContact O-CB 3.49Å; D365-T368 PolarHBondContact O-N 3.27Å; D365-T368 VanDerWaalsContact O-N 3.08Å; D365-T368 PolarHBondContact OD2-OG1 3.28Å; F366-T368 VanDerWaalsContact C-N 3.3Å; F366-T368 PolarHBondContact O-N 3.27Å; T368-S372 WeakPolarHBondContact O-CB 3.31Å; T368-S372 PolarHBondContact O-N 2.75Å; T368-S372 PolarHBondContact O-OG 3.46Å
369	L	36.8	Very low	34.2	Very low	92 Å²	92	89.8 Å²	89.8	48%	0.482	47%	0.473	S	S	.	.	H	α-helix	trans	-91.6	-36.3	172.8	-174.2	62.1	0	0	0	113.1	D365 F366 R367 S372 I373	D365-L369 PolarHBondContact O-N 2.83Å; F366-L369 CarbonylContact O-C 2.92Å; F366-L369 WeakPolarHBondContact O-CA 3.38Å; F366-L369 PolarHBondContact O-N 2.96Å; R367-L369 PolarHBondContact O-N 3.15Å; L369-S372 VanDerWaalsContact C-N 3.3Å; L369-S372 CarbonylContact O-C 3.28Å; L369-S372 VanDerWaalsContact O-CA 3.24Å; L369-S372 WeakPolarHBondContact O-CA 3.45Å; L369-S372 WeakPolarHBondContact O-CB 3.38Å; L369-S372 PolarHBondContact O-N 3.48Å; L369-S372 VanDerWaalsContact O-N 3.08Å; L369-I373 PolarHBondContact O-N 2.75Å
370	A	35	Very low	35	Very low	45 Å²	45	86 Å²	86	37%	0.372	45%	0.453	S	S	.	.	H	α-helix	trans	-66.8	-57.3	171	0	0	0	0	0	109.4	F366 R367 S372 I373 L374	F366-A370 PolarHBondContact O-N 3.03Å; R367-A370 PolarHBondContact O-N 3.21Å; A370-S372 CarbonylContact O-C 3.34Å; A370-S372 VanDerWaalsContact O-C 3.27Å; A370-S372 PolarHBondContact O-N 3.26Å; A370-I373 PolarHBondContact O-N 3.24Å; A370-L374 WeakPolarHBondContact O-CB 3.35Å; A370-L374 PolarHBondContact O-N 3.22Å
371	E	37.1	Very low	35.9	Very low	47 Å²	47	83.5 Å²	83.5	22%	0.22	43%	0.426	C	S	.	.	H	α-helix	trans	-57.9	-10.8	164.6	-60.1	176.3	176.6	0	0	112.3	R152 M153 I156 R367	R152-E371 CarbonylContact C-O 3.27Å; R152-E371 HydrophobicContact CB-CB 4.24Å; R152-E371 WeakPolarHBondContact CB-O 3.37Å; R152-E371 IonicContact NH1-OE1 2.81Å; R152-E371 VanDerWaalsContact O-O 3.09Å; M153-E371 PolarHBondContact N-O 3.18Å; M153-E371 VanDerWaalsContact N-O 3.16Å; I156-E371 VanDerWaalsContact CD1-C 3.46Å; I156-E371 HydrophobicContact CD1-CB 3.74Å; I156-E371 WeakPolarHBondContact CD1-O 3.21Å; R367-E371 HydrophobicContact CG-CG 4.17Å; R367-E371 WeakPolarHBondContact CG-OE1 3.25Å; R367-E371 IonicContact CZ-OE1 2.65Å; R367-E371 IonicContact NE-OE1 3.24Å; R367-E371 PolarHBondContact NE-OE1 3.2Å; R367-E371 IonicContact NH2-OE1 3.66Å; R367-E371 WeakPolarHBondContact O-CA 3.41Å; R367-E371 WeakPolarHBondContact O-CB 3.22Å; R367-E371 VanDerWaalsContact O-CG 3.31Å; R367-E371 WeakPolarHBondContact O-CG 3.43Å; R367-E371 PolarHBondContact O-N 3.38Å
372	S	36.5	Very low	36.9	Very low	17 Å²	17	79.5 Å²	79.5	12%	0.119	41%	0.411	C	S	.	.	H	α-helix	trans	-75.9	-92.3	154.7	-69.5	0	0	0	0	111	M153 T368 L369 A370 L374 V375	M153-S372 WeakPolarHBondContact CA-O 3.19Å; M153-S372 WeakPolarHBondContact CB-O 3.28Å; M153-S372 WeakPolarHBondContact CG-O 3.44Å; M153-S372 PolarHBondContact N-O 2.87Å; T368-S372 WeakPolarHBondContact O-CB 3.31Å; T368-S372 PolarHBondContact O-N 2.75Å; T368-S372 PolarHBondContact O-OG 3.46Å; L369-S372 VanDerWaalsContact C-N 3.3Å; L369-S372 CarbonylContact O-C 3.28Å; L369-S372 VanDerWaalsContact O-CA 3.24Å; L369-S372 WeakPolarHBondContact O-CA 3.45Å; L369-S372 WeakPolarHBondContact O-CB 3.38Å; L369-S372 PolarHBondContact O-N 3.48Å; L369-S372 VanDerWaalsContact O-N 3.08Å; A370-S372 CarbonylContact O-C 3.34Å; A370-S372 VanDerWaalsContact O-C 3.27Å; A370-S372 PolarHBondContact O-N 3.26Å; S372-L374 CarbonylContact O-C 3.51Å; S372-L374 VanDerWaalsContact O-C 3.24Å; S372-L374 WeakPolarHBondContact O-CA 3.4Å; S372-L374 PolarHBondContact O-N 2.83Å; S372-V375 PolarHBondContact O-N 3.1Å; S372-V375 VanDerWaalsContact O-N 3.1Å
373	I	39	Very low	37.6	Very low	97 Å²	97	75.5 Å²	75.5	50%	0.497	39%	0.393	S	S	.	.	H	α-helix	trans	-34.5	-44.5	-162.7	-50.7	173.4	0	0	0	111.6	V149 L369 A370 V375 V376	V149-I373 HydrophobicContact CG1-CB 3.85Å; V149-I373 HydrophobicContact CG1-CG2 3.61Å; L369-I373 PolarHBondContact O-N 2.75Å; A370-I373 PolarHBondContact O-N 3.24Å; I373-V375 PolarHBondContact O-N 3.16Å; I373-V376 PolarHBondContact O-N 3.21Å
374	L	39	Very low	38.5	Very low	26 Å²	26	73.7 Å²	73.7	14%	0.136	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-35.9	9	164	-154.5	138.7	0	0	0	121.2	V148 V149 A150 V151 R152 A370 S372	V148-L374 WeakPolarHBondContact O-CD1 3.44Å; V148-L374 WeakPolarHBondContact O-CG 3.47Å; V149-L374 CarbonylContact C-O 3.46Å; V149-L374 HydrophobicContact CG1-CB 4.31Å; V149-L374 WeakPolarHBondContact O-CA 3.31Å; A150-L374 CarbonylContact C-O 2.93Å; A150-L374 VanDerWaalsContact CA-C 3.5Å; A150-L374 WeakPolarHBondContact CA-O 3.33Å; A150-L374 VanDerWaalsContact N-C 3.28Å; A150-L374 PolarHBondContact N-O 2.92Å; V151-L374 CarbonylContact C-O 3.07Å; V151-L374 VanDerWaalsContact C-O 3.29Å; V151-L374 VanDerWaalsContact CA-O 3.31Å; V151-L374 WeakPolarHBondContact CA-O 3.4Å; V151-L374 HydrophobicContact CG1-CD2 3.91Å; V151-L374 PolarHBondContact N-O 2.81Å; R152-L374 HydrophobicContact CB-CD2 3.68Å; R152-L374 HydrophobicContact CG-CD2 3.54Å; R152-L374 VanDerWaalsContact N-C 3.26Å; R152-L374 PolarHBondContact N-O 3.32Å; A370-L374 WeakPolarHBondContact O-CB 3.35Å; A370-L374 PolarHBondContact O-N 3.22Å; S372-L374 CarbonylContact O-C 3.51Å; S372-L374 VanDerWaalsContact O-C 3.24Å; S372-L374 WeakPolarHBondContact O-CA 3.4Å; S372-L374 PolarHBondContact O-N 2.83Å
375	V	37	Very low	39.6	Very low	12 Å²	12	70.7 Å²	70.7	7%	0.073	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-39.7	157.4	115.9	0	0	0	0	113.6	A150 M153 S154 S372 I373 K377 I378 N379	A150-V375 CarbonylContact C-O 3.6Å; A150-V375 WeakPolarHBondContact CA-O 3.46Å; A150-V375 CarbonylContact O-C 3.6Å; A150-V375 VanDerWaalsContact O-CA 3.28Å; A150-V375 WeakPolarHBondContact O-CA 3.46Å; M153-V375 HydrophobicContact CB-CB 3.53Å; M153-V375 HydrophobicContact CB-CG1 3.71Å; S154-V375 VanDerWaalsContact OG-CG1 3.26Å; S154-V375 WeakPolarHBondContact OG-CG1 3.4Å; S372-V375 PolarHBondContact O-N 3.1Å; S372-V375 VanDerWaalsContact O-N 3.1Å; I373-V375 PolarHBondContact O-N 3.16Å; V375-K377 PolarHBondContact O-N 2.85Å; V375-I378 PolarHBondContact O-N 2.96Å; V375-N379 WeakPolarHBondContact CG1-ND2 2.92Å
376	V	38.5	Very low	40.6	Very low	80 Å²	80	72.5 Å²	72.5	49%	0.485	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-26.1	-145.3	140.9	0	0	0	0	113	M153 I373 L380	M153-V376 HydrophobicContact CB-CG2 4.1Å; M153-V376 HydrophobicContact CG-CB 4.36Å; M153-V376 HydrophobicContact CG-CG2 3.74Å; I373-V376 PolarHBondContact O-N 3.21Å; V376-L380 HydrophobicContact CG1-CD1 4.33Å; V376-L380 WeakPolarHBondContact O-CG 3.32Å
377	K	40.2	Very low	41.5	Very low	25 Å²	25	72.4 Å²	72.4	11%	0.109	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-20.7	-171.7	176.5	-178.5	48.1	138.8	0	117.4	Y145 F146 V149 A150 V375 N379 L380 E381	Y145-K377 PolarHBondContact O-NZ 3.49Å; F146-K377 VanDerWaalsContact C-NZ 3.32Å; F146-K377 VanDerWaalsContact CA-NZ 3.26Å; F146-K377 HydrophobicContact CB-CD 4.14Å; F146-K377 HydrophobicContact CD1-CD 3.33Å; F146-K377 HydrophobicContact CD1-CG 3.94Å; F146-K377 HydrophobicContact CD2-CD 4.15Å; F146-K377 HydrophobicContact CE1-CD 3.52Å; F146-K377 HydrophobicContact CE1-CG 4.28Å; F146-K377 HydrophobicContact CE2-CD 4.32Å; F146-K377 HydrophobicContact CG-CD 3.64Å; F146-K377 HydrophobicContact CZ-CD 4.02Å; F146-K377 WeakPolarHBondContact O-CD 3.29Å; F146-K377 WeakPolarHBondContact O-CE 3.29Å; F146-K377 WeakPolarHBondContact O-CG 3.09Å; F146-K377 PolarHBondContact O-NZ 2.79Å; V149-K377 VanDerWaalsContact CB-NZ 3.3Å; V149-K377 WeakPolarHBondContact O-CE 3.35Å; A150-K377 HydrophobicContact CB-CB 3.66Å; A150-K377 HydrophobicContact CB-CD 4.46Å; A150-K377 HydrophobicContact CB-CG 3.97Å; V375-K377 PolarHBondContact O-N 2.85Å; K377-N379 VanDerWaalsContact C-N 3.27Å; K377-L380 HydrophobicContact CB-CD1 4.35Å; K377-L380 CarbonylContact O-C 3.29Å; K377-L380 WeakPolarHBondContact O-CA 3.37Å; K377-L380 WeakPolarHBondContact O-CB 3.19Å; K377-L380 PolarHBondContact O-N 3.24Å; K377-E381 WeakPolarHBondContact O-CG 3.22Å; K377-E381 PolarHBondContact O-N 2.99Å
378	I	38.5	Very low	42.6	Very low	42 Å²	42	69.4 Å²	69.4	22%	0.215	36%	0.361	C	S	.	.	H	α-helix	trans	-68	-37.9	162.1	-86.4	167.5	0	0	0	108.6	T147 A150 V151 V375 L380 E381 L382	T147-I378 HydrophobicContact CG2-CD1 3.67Å; T147-I378 HydrophobicContact CG2-CG1 3.68Å; A150-I378 HydrophobicContact CB-CB 4.38Å; A150-I378 HydrophobicContact CB-CG1 4.02Å; A150-I378 WeakPolarHBondContact O-CB 3.38Å; A150-I378 WeakPolarHBondContact O-CD1 3.27Å; A150-I378 VanDerWaalsContact O-CG1 3.25Å; A150-I378 WeakPolarHBondContact O-CG1 3.06Å; A150-I378 PolarHBondContact O-N 2.8Å; V151-I378 HydrophobicContact CB-CD1 3.77Å; V151-I378 HydrophobicContact CG2-CD1 3.81Å; V375-I378 PolarHBondContact O-N 2.96Å; I378-L380 PolarHBondContact O-N 3.04Å; I378-L380 VanDerWaalsContact O-N 3.1Å; I378-E381 VanDerWaalsContact CA-OE2 3.27Å; I378-E381 WeakPolarHBondContact CA-OE2 3.47Å; I378-E381 WeakPolarHBondContact CG1-OE2 3.23Å; I378-E381 PolarHBondContact O-N 3.43Å; I378-L382 HydrophobicContact CG2-CD1 3.53Å; I378-L382 HydrophobicContact CG2-CG 3.9Å; I378-L382 WeakPolarHBondContact O-CB 3.48Å; I378-L382 WeakPolarHBondContact O-CG 3.32Å; I378-L382 PolarHBondContact O-N 2.67Å
379	N	40.3	Very low	44	Very low	60 Å²	60	70.3 Å²	70.3	32%	0.321	37%	0.37	S	S	.	.	H	α-helix	trans	-67.9	-1.4	170.5	-76	-38.1	0	0	0	113.3	V375 K377 K383	V375-N379 WeakPolarHBondContact CG1-ND2 2.92Å; K377-N379 VanDerWaalsContact C-N 3.27Å; N379-K383 WeakPolarHBondContact O-CD 3.34Å; N379-K383 VanDerWaalsContact O-CE 3.23Å; N379-K383 WeakPolarHBondContact O-CE 3.41Å; N379-K383 WeakPolarHBondContact O-CG 3.45Å
380	L	41.9	Very low	45	Very low	83 Å²	83	70.8 Å²	70.8	44%	0.435	37%	0.37	S	S	.	.	H	α-helix	trans	-101.6	-49	163.6	-62.2	172.6	0	0	0	110.9	V376 K377 I378 L382 K383 I384	V376-L380 HydrophobicContact CG1-CD1 4.33Å; V376-L380 WeakPolarHBondContact O-CG 3.32Å; K377-L380 HydrophobicContact CB-CD1 4.35Å; K377-L380 CarbonylContact O-C 3.29Å; K377-L380 WeakPolarHBondContact O-CA 3.37Å; K377-L380 WeakPolarHBondContact O-CB 3.19Å; K377-L380 PolarHBondContact O-N 3.24Å; I378-L380 PolarHBondContact O-N 3.04Å; I378-L380 VanDerWaalsContact O-N 3.1Å; L380-L382 PolarHBondContact O-N 3.08Å; L380-K383 CarbonylContact O-C 3.56Å; L380-K383 WeakPolarHBondContact O-CA 3.16Å; L380-K383 WeakPolarHBondContact O-CB 3.11Å; L380-K383 PolarHBondContact O-N 3.32Å; L380-I384 WeakPolarHBondContact O-CG1 3.44Å; L380-I384 PolarHBondContact O-N 2.92Å
381	E	45	Very low	46.2	Very low	34 Å²	34	73.7 Å²	73.7	16%	0.159	38%	0.379	C	S	.	.	H	α-helix	trans	-51.7	-51	175.8	-67.8	162.4	144.9	0	0	111.2	F146 T147 K377 I378 K383 I384 N385	F146-E381 VanDerWaalsContact C-OE1 3.27Å; T147-E381 WeakPolarHBondContact CA-OE1 3.2Å; T147-E381 PolarHBondContact N-OE1 2.99Å; T147-E381 PolarHBondContact OG1-OE1 2.92Å; K377-E381 WeakPolarHBondContact O-CG 3.22Å; K377-E381 PolarHBondContact O-N 2.99Å; I378-E381 VanDerWaalsContact CA-OE2 3.27Å; I378-E381 WeakPolarHBondContact CA-OE2 3.47Å; I378-E381 WeakPolarHBondContact CG1-OE2 3.23Å; I378-E381 PolarHBondContact O-N 3.43Å; E381-K383 PolarHBondContact O-N 2.68Å; E381-I384 PolarHBondContact O-N 3.46Å; E381-I384 VanDerWaalsContact O-N 3.14Å; E381-N385 VanDerWaalsContact O-CG 3.29Å; E381-N385 PolarHBondContact O-N 3.31Å; E381-N385 PolarHBondContact O-OD1 3.32Å
382	L	45.1	Very low	47.8	Very low	110 Å²	110	74.9 Å²	74.9	58%	0.576	39%	0.387	S	S	*	.	H	α-helix	trans	-64	-23.4	175.8	-67.7	174.9	0	0	0	114.1	I378 L380 K386	I378-L382 HydrophobicContact CG2-CD1 3.53Å; I378-L382 HydrophobicContact CG2-CG 3.9Å; I378-L382 WeakPolarHBondContact O-CB 3.48Å; I378-L382 WeakPolarHBondContact O-CG 3.32Å; I378-L382 PolarHBondContact O-N 2.67Å; L380-L382 PolarHBondContact O-N 3.08Å; L382-K386 WeakPolarHBondContact O-CB 3.22Å; L382-K386 PolarHBondContact O-N 3.3Å
383	K	44.2	Very low	49.5	Very low	103 Å²	103	78.7 Å²	78.7	45%	0.448	41%	0.405	S	S	.	.	H	α-helix	trans	-81.9	-38.1	173	-72.7	179.3	-171.5	161.3	0	111.6	N379 L380 E381 K386 L387	N379-K383 WeakPolarHBondContact O-CD 3.34Å; N379-K383 VanDerWaalsContact O-CE 3.23Å; N379-K383 WeakPolarHBondContact O-CE 3.41Å; N379-K383 WeakPolarHBondContact O-CG 3.45Å; L380-K383 CarbonylContact O-C 3.56Å; L380-K383 WeakPolarHBondContact O-CA 3.16Å; L380-K383 WeakPolarHBondContact O-CB 3.11Å; L380-K383 PolarHBondContact O-N 3.32Å; E381-K383 PolarHBondContact O-N 2.68Å; K383-K386 PolarHBondContact O-N 2.68Å; K383-L387 WeakPolarHBondContact O-CB 3.41Å; K383-L387 VanDerWaalsContact O-CG 3.26Å; K383-L387 WeakPolarHBondContact O-CG 3.33Å; K383-L387 PolarHBondContact O-N 3Å
384	I	48.3	Very low	50.7	Low	84 Å²	84	78.5 Å²	78.5	43%	0.431	40%	0.402	S	S	.	.	H	α-helix	trans	-61.6	-56.3	176.1	-69.6	163.3	0	0	0	108.8	L380 E381 K386 L387 E388	L380-I384 WeakPolarHBondContact O-CG1 3.44Å; L380-I384 PolarHBondContact O-N 2.92Å; E381-I384 PolarHBondContact O-N 3.46Å; E381-I384 VanDerWaalsContact O-N 3.14Å; I384-K386 PolarHBondContact O-N 3.12Å; I384-K386 VanDerWaalsContact O-N 3.09Å; I384-L387 CarbonylContact O-C 3.59Å; I384-L387 WeakPolarHBondContact O-CA 3.43Å; I384-L387 PolarHBondContact O-N 3.39Å; I384-E388 HydrophobicContact CG2-CG 4.32Å; I384-E388 WeakPolarHBondContact CG2-OE1 3.33Å; I384-E388 WeakPolarHBondContact O-CG 3.41Å; I384-E388 PolarHBondContact O-N 2.77Å
385	N	54.6	Low	52	Low	95 Å²	95	83.5 Å²	83.5	51%	0.508	42%	0.419	S	S	.	.	H	α-helix	trans	-56.4	-34.5	178.8	-59.8	14.9	0	0	0	112.3	E381 S389	E381-N385 VanDerWaalsContact O-CG 3.29Å; E381-N385 PolarHBondContact O-N 3.31Å; E381-N385 PolarHBondContact O-OD1 3.32Å; N385-S389 WeakPolarHBondContact O-CB 3.2Å; N385-S389 PolarHBondContact O-N 3.41Å
386	K	53.9	Low	54	Low	134 Å²	134	87.3 Å²	87.3	58%	0.583	44%	0.439	S	S	*	.	H	α-helix	trans	-71.7	-41.1	174.9	-177.1	171	-178.7	172.6	0	112.7	L382 K383 I384 S389 Q390	L382-K386 WeakPolarHBondContact O-CB 3.22Å; L382-K386 PolarHBondContact O-N 3.3Å; K383-K386 PolarHBondContact O-N 2.68Å; I384-K386 PolarHBondContact O-N 3.12Å; I384-K386 VanDerWaalsContact O-N 3.09Å; K386-S389 PolarHBondContact O-N 2.94Å; K386-Q390 WeakPolarHBondContact O-CG 3.45Å; K386-Q390 PolarHBondContact O-N 2.82Å
387	L	51.1	Low	55.8	Low	108 Å²	108	88.2 Å²	88.2	57%	0.565	44%	0.437	S	S	*	.	H	α-helix	trans	-67.6	-39.1	176.5	-73.8	167.6	0	0	0	111.3	K383 I384 Q390 L391	K383-L387 WeakPolarHBondContact O-CB 3.41Å; K383-L387 VanDerWaalsContact O-CG 3.26Å; K383-L387 WeakPolarHBondContact O-CG 3.33Å; K383-L387 PolarHBondContact O-N 3Å; I384-L387 CarbonylContact O-C 3.59Å; I384-L387 WeakPolarHBondContact O-CA 3.43Å; I384-L387 PolarHBondContact O-N 3.39Å; L387-Q390 PolarHBondContact O-N 2.72Å; L387-L391 VanDerWaalsContact O-CB 3.28Å; L387-L391 WeakPolarHBondContact O-CB 3.25Å; L387-L391 PolarHBondContact O-N 2.69Å
388	E	58.2	Low	57.5	Low	103 Å²	103	92.2 Å²	92.2	48%	0.481	46%	0.458	S	S	.	.	H	α-helix	trans	-62.2	-46.7	173	-69.9	170.8	167.9	0	0	111.6	I384 Q390 L391 N392	I384-E388 HydrophobicContact CG2-CG 4.32Å; I384-E388 WeakPolarHBondContact CG2-OE1 3.33Å; I384-E388 WeakPolarHBondContact O-CG 3.41Å; I384-E388 PolarHBondContact O-N 2.77Å; E388-Q390 VanDerWaalsContact C-N 3.31Å; E388-Q390 PolarHBondContact O-N 3.26Å; E388-L391 PolarHBondContact O-N 3.48Å; E388-N392 WeakPolarHBondContact O-CB 3.38Å; E388-N392 PolarHBondContact O-N 2.88Å; E388-N392 PolarHBondContact O-ND2 2.9Å
389	S	64.1	Low	59.3	Low	80 Å²	80	96.1 Å²	96.1	56%	0.559	48%	0.475	S	S	*	.	H	α-helix	trans	-58.6	-40.7	174.1	176	0	0	0	0	112.4	N385 K386 L393	N385-S389 WeakPolarHBondContact O-CB 3.2Å; N385-S389 PolarHBondContact O-N 3.41Å; K386-S389 PolarHBondContact O-N 2.94Å; S389-L393 WeakPolarHBondContact O-CB 3.11Å; S389-L393 PolarHBondContact O-N 3.12Å; S389-L393 VanDerWaalsContact O-N 3.16Å
390	Q	58.2	Low	61.1	Low	101 Å²	101	97 Å²	97	47%	0.472	48%	0.482	S	S	.	.	H	α-helix	trans	-69.1	-40.5	174.9	-72.7	-177	-49.2	0	0	112.4	K386 L387 E388 L393 E394	K386-Q390 WeakPolarHBondContact O-CG 3.45Å; K386-Q390 PolarHBondContact O-N 2.82Å; L387-Q390 PolarHBondContact O-N 2.72Å; E388-Q390 VanDerWaalsContact C-N 3.31Å; E388-Q390 PolarHBondContact O-N 3.26Å; Q390-L393 PolarHBondContact O-N 3.19Å; Q390-E394 PolarHBondContact O-N 2.88Å
391	L	60.8	Low	62.7	Low	107 Å²	107	97.6 Å²	97.6	56%	0.56	48%	0.483	S	S	*	.	H	α-helix	trans	-68.5	-36.7	-179.5	-173.2	141.9	0	0	0	112.1	L387 E388 R395	L387-L391 VanDerWaalsContact O-CB 3.28Å; L387-L391 WeakPolarHBondContact O-CB 3.25Å; L387-L391 PolarHBondContact O-N 2.69Å; E388-L391 PolarHBondContact O-N 3.48Å; L391-R395 WeakPolarHBondContact O-CB 3.31Å; L391-R395 PolarHBondContact O-N 3.27Å
392	N	68.7	Low	64.2	Low	72 Å²	72	100 Å²	100	39%	0.385	50%	0.5	S	S	.	.	H	α-helix	trans	-64.7	-44.8	170.9	-70.6	-23.5	0	0	0	111.1	E388 E394 R395 D396	E388-N392 WeakPolarHBondContact O-CB 3.38Å; E388-N392 PolarHBondContact O-N 2.88Å; E388-N392 PolarHBondContact O-ND2 2.9Å; N392-E394 VanDerWaalsContact C-N 3.35Å; N392-E394 PolarHBondContact O-N 3.32Å; N392-R395 WeakPolarHBondContact O-CB 3.16Å; N392-R395 PolarHBondContact O-N 3.47Å; N392-R395 VanDerWaalsContact O-N 3.1Å; N392-D396 VanDerWaalsContact O-CG 3.32Å; N392-D396 PolarHBondContact O-N 3.26Å
393	L	72.9	Confident	65.9	Low	97 Å²	97	96.7 Å²	96.7	51%	0.508	49%	0.492	S	S	.	.	H	α-helix	trans	-61.4	-38.6	177.5	-176.7	65.8	0	0	0	113.2	S389 Q390 K397	S389-L393 WeakPolarHBondContact O-CB 3.11Å; S389-L393 PolarHBondContact O-N 3.12Å; S389-L393 VanDerWaalsContact O-N 3.16Å; Q390-L393 PolarHBondContact O-N 3.19Å; L393-K397 WeakPolarHBondContact O-CG 3.19Å; L393-K397 PolarHBondContact O-N 3.22Å
394	E	63.4	Low	67.6	Low	92 Å²	92	96.3 Å²	96.3	43%	0.43	49%	0.491	S	S	.	.	H	α-helix	trans	-71.7	-34.7	173.3	-61.8	-49.6	136.2	0	0	112.4	Q390 N392 D396 K397 I398	Q390-E394 PolarHBondContact O-N 2.88Å; N392-E394 VanDerWaalsContact C-N 3.35Å; N392-E394 PolarHBondContact O-N 3.32Å; E394-D396 PolarHBondContact O-N 3.35Å; E394-K397 PolarHBondContact O-N 3.4Å; E394-K397 IonicContact OE1-NZ 2.87Å; E394-K397 PolarHBondContact OE1-NZ 3.3Å; E394-K397 VanDerWaalsContact OE2-CD 3.27Å; E394-K397 WeakPolarHBondContact OE2-CD 3.17Å; E394-K397 IonicContact OE2-NZ 3.22Å; E394-K397 PolarHBondContact OE2-NZ 3.28Å; E394-K397 VanDerWaalsContact OE2-NZ 3.08Å; E394-I398 VanDerWaalsContact O-CG1 3.3Å; E394-I398 WeakPolarHBondContact O-CG1 3.1Å; E394-I398 PolarHBondContact O-N 2.83Å
395	R	68.1	Low	68.8	Low	131 Å²	131	97.3 Å²	97.3	49%	0.494	50%	0.496	S	S	.	.	H	α-helix	trans	-59.3	-45.3	172.9	-171.1	-163.6	-68.8	172.4	-1.4	111.3	L391 N392 K397 I398 H399	L391-R395 WeakPolarHBondContact O-CB 3.31Å; L391-R395 PolarHBondContact O-N 3.27Å; N392-R395 WeakPolarHBondContact O-CB 3.16Å; N392-R395 PolarHBondContact O-N 3.47Å; N392-R395 VanDerWaalsContact O-N 3.1Å; R395-K397 PolarHBondContact O-N 2.84Å; R395-I398 PolarHBondContact O-N 3.24Å; R395-H399 PolarHBondContact O-CD2 3.16Å; R395-H399 PolarHBondContact O-N 2.95Å
396	D	77.6	Confident	70	Confident	93 Å²	93	99.5 Å²	99.5	50%	0.497	50%	0.501	S	S	.	.	H	α-helix	trans	-66	-38.2	-178.7	-65.4	-20.9	0	0	0	112.3	N392 E394 H399 T400	N392-D396 VanDerWaalsContact O-CG 3.32Å; N392-D396 PolarHBondContact O-N 3.26Å; E394-D396 PolarHBondContact O-N 3.35Å; D396-H399 PolarHBondContact O-N 3.11Å; D396-T400 WeakPolarHBondContact O-CB 3.18Å; D396-T400 PolarHBondContact O-N 2.76Å; D396-T400 PolarHBondContact O-OG1 3.42Å
397	K	77.6	Confident	71.3	Confident	99 Å²	99	98.1 Å²	98.1	43%	0.43	50%	0.497	S	S	.	.	H	α-helix	trans	-61.2	-46.7	170.8	-70.3	168.4	-176.2	173.7	0	111.7	L393 E394 R395 T400 E401	L393-K397 WeakPolarHBondContact O-CG 3.19Å; L393-K397 PolarHBondContact O-N 3.22Å; E394-K397 PolarHBondContact O-N 3.4Å; E394-K397 IonicContact OE1-NZ 2.87Å; E394-K397 PolarHBondContact OE1-NZ 3.3Å; E394-K397 VanDerWaalsContact OE2-CD 3.27Å; E394-K397 WeakPolarHBondContact OE2-CD 3.17Å; E394-K397 IonicContact OE2-NZ 3.22Å; E394-K397 PolarHBondContact OE2-NZ 3.28Å; E394-K397 VanDerWaalsContact OE2-NZ 3.08Å; R395-K397 PolarHBondContact O-N 2.84Å; K397-T400 WeakPolarHBondContact O-CB 3.28Å; K397-T400 PolarHBondContact O-N 3.38Å; K397-T400 VanDerWaalsContact O-N 3.14Å; K397-E401 PolarHBondContact O-N 2.81Å
398	I	74.2	Confident	72.5	Confident	109 Å²	109	96.4 Å²	96.4	56%	0.559	49%	0.487	S	S	*	.	H	α-helix	trans	-62.4	-45	179.6	-69.2	166.1	0	0	0	110.4	E394 R395 T400 E401 V402	E394-I398 VanDerWaalsContact O-CG1 3.3Å; E394-I398 WeakPolarHBondContact O-CG1 3.1Å; E394-I398 PolarHBondContact O-N 2.83Å; R395-I398 PolarHBondContact O-N 3.24Å; I398-T400 VanDerWaalsContact C-N 3.28Å; I398-T400 PolarHBondContact O-N 2.8Å; I398-E401 PolarHBondContact O-N 3.47Å; I398-V402 HydrophobicContact CG2-CG2 4.27Å; I398-V402 WeakPolarHBondContact O-CB 3.47Å; I398-V402 VanDerWaalsContact O-CG2 3.25Å; I398-V402 WeakPolarHBondContact O-CG2 3.41Å; I398-V402 PolarHBondContact O-N 2.91Å
399	H	76.3	Confident	73.1	Confident	123 Å²	123	94.7 Å²	94.7	57%	0.569	49%	0.486	S	S	*	.	H	α-helix	trans	-58.3	-39.6	173.3	-79.4	-58.1	0	0	0	112.5	R395 D396 G403	R395-H399 PolarHBondContact O-CD2 3.16Å; R395-H399 PolarHBondContact O-N 2.95Å; D396-H399 PolarHBondContact O-N 3.11Å; H399-G403 PolarHBondContact O-N 3.38Å
400	T	79.9	Confident	73.8	Confident	78 Å²	78	93.6 Å²	93.6	48%	0.479	47%	0.474	S	S	.	.	H	α-helix	trans	-64.6	-47.1	178.4	-58.1	0	0	0	0	112.2	D396 K397 I398 G403 K404	D396-T400 WeakPolarHBondContact O-CB 3.18Å; D396-T400 PolarHBondContact O-N 2.76Å; D396-T400 PolarHBondContact O-OG1 3.42Å; K397-T400 WeakPolarHBondContact O-CB 3.28Å; K397-T400 PolarHBondContact O-N 3.38Å; K397-T400 VanDerWaalsContact O-N 3.14Å; I398-T400 VanDerWaalsContact C-N 3.28Å; I398-T400 PolarHBondContact O-N 2.8Å; T400-G403 PolarHBondContact O-N 2.85Å; T400-K404 PolarHBondContact O-N 2.89Å; T400-K404 VanDerWaalsContact O-N 3.14Å
401	E	75.4	Confident	74.5	Confident	96 Å²	96	94.2 Å²	94.2	45%	0.449	47%	0.472	S	S	.	.	H	α-helix	trans	-70.5	-36.7	178.3	-62	-49.3	129.9	0	0	112.5	K397 I398 G403 K404 L405	K397-E401 PolarHBondContact O-N 2.81Å; I398-E401 PolarHBondContact O-N 3.47Å; E401-G403 VanDerWaalsContact C-N 3.28Å; E401-G403 PolarHBondContact O-N 2.8Å; E401-K404 PolarHBondContact O-N 3.49Å; E401-K404 IonicContact OE1-NZ 2.66Å; E401-K404 PolarHBondContact OE1-NZ 3.14Å; E401-K404 WeakPolarHBondContact OE2-CD 3.08Å; E401-K404 IonicContact OE2-NZ 3.76Å; E401-K404 PolarHBondContact OE2-NZ 3.45Å; E401-L405 WeakPolarHBondContact O-CG 3.09Å; E401-L405 PolarHBondContact O-N 2.79Å
402	V	75.3	Confident	74.7	Confident	85 Å²	85	96 Å²	96	52%	0.515	48%	0.476	S	S	.	.	H	α-helix	trans	-61.5	-37.9	171.9	169.7	0	0	0	0	111.1	I398 L405 K406	I398-V402 HydrophobicContact CG2-CG2 4.27Å; I398-V402 WeakPolarHBondContact O-CB 3.47Å; I398-V402 VanDerWaalsContact O-CG2 3.25Å; I398-V402 WeakPolarHBondContact O-CG2 3.41Å; I398-V402 PolarHBondContact O-N 2.91Å; V402-L405 PolarHBondContact O-N 3.16Å; V402-K406 WeakPolarHBondContact O-CB 2.95Å; V402-K406 PolarHBondContact O-N 2.86Å
403	G	80.8	Confident	74.8	Confident	40 Å²	40	98.7 Å²	98.7	41%	0.412	48%	0.484	S	S	.	.	H	α-helix	trans	-60	-48.4	173.1	0	0	0	0	0	113	H399 T400 E401 K406 E407	H399-G403 PolarHBondContact O-N 3.38Å; T400-G403 PolarHBondContact O-N 2.85Å; E401-G403 VanDerWaalsContact C-N 3.28Å; E401-G403 PolarHBondContact O-N 2.8Å; G403-K406 PolarHBondContact O-N 3.48Å; G403-E407 PolarHBondContact O-N 3.39Å
404	K	79.8	Confident	74.3	Confident	96 Å²	96	98.3 Å²	98.3	42%	0.417	49%	0.486	S	S	.	.	H	α-helix	trans	-61.8	-43.8	175.8	-66.8	168	-176.5	170.7	0	112.3	T400 E401 K406 E407 I408	T400-K404 PolarHBondContact O-N 2.89Å; T400-K404 VanDerWaalsContact O-N 3.14Å; E401-K404 PolarHBondContact O-N 3.49Å; E401-K404 IonicContact OE1-NZ 2.66Å; E401-K404 PolarHBondContact OE1-NZ 3.14Å; E401-K404 WeakPolarHBondContact OE2-CD 3.08Å; E401-K404 IonicContact OE2-NZ 3.76Å; E401-K404 PolarHBondContact OE2-NZ 3.45Å; K404-K406 VanDerWaalsContact C-N 3.32Å; K404-K406 PolarHBondContact O-N 2.72Å; K404-E407 PolarHBondContact O-N 3.47Å; K404-I408 WeakPolarHBondContact O-CG1 3.26Å; K404-I408 PolarHBondContact O-N 2.84Å
405	L	74.4	Confident	73.9	Confident	105 Å²	105	103.3 Å²	103.3	55%	0.55	50%	0.501	S	S	.	.	H	α-helix	trans	-61.3	-41.2	176.9	-75.8	170.4	0	0	0	111.4	E401 V402 I408 C409	E401-L405 WeakPolarHBondContact O-CG 3.09Å; E401-L405 PolarHBondContact O-N 2.79Å; V402-L405 PolarHBondContact O-N 3.16Å; L405-I408 PolarHBondContact O-N 3.36Å; L405-C409 PolarHBondContact O-N 3.46Å; L405-C409 PolarHBondContact O-SG 2.75Å; L405-C409 VanDerWaalsContact O-SG 3.32Å
406	K	80.2	Confident	73.1	Confident	140 Å²	140	100.1 Å²	100.1	61%	0.609	51%	0.509	S	S	*	.	H	α-helix	trans	-60.9	-47.2	173.6	-176.7	178.2	176	-174.6	0	111.8	V402 G403 K404 I408 C409 D410	V402-K406 WeakPolarHBondContact O-CB 2.95Å; V402-K406 PolarHBondContact O-N 2.86Å; G403-K406 PolarHBondContact O-N 3.48Å; K404-K406 VanDerWaalsContact C-N 3.32Å; K404-K406 PolarHBondContact O-N 2.72Å; K406-I408 VanDerWaalsContact C-N 3.27Å; K406-I408 PolarHBondContact O-N 2.78Å; K406-C409 PolarHBondContact O-N 2.91Å; K406-C409 VanDerWaalsContact O-N 3.16Å; K406-D410 WeakPolarHBondContact CE-OD2 3.36Å; K406-D410 WeakPolarHBondContact CG-OD2 3.36Å; K406-D410 WeakPolarHBondContact O-CB 2.97Å; K406-D410 PolarHBondContact O-N 3.47Å
407	E	79.4	Confident	71.6	Confident	105 Å²	105	102.4 Å²	102.4	49%	0.491	52%	0.521	S	S	.	.	H	α-helix	trans	-60.7	-34.2	176.5	-163.3	-149.4	163	0	0	112.4	G403 K404 R411	G403-E407 PolarHBondContact O-N 3.39Å; K404-E407 PolarHBondContact O-N 3.47Å; E407-R411 VanDerWaalsContact CD-NH1 3.33Å; E407-R411 WeakPolarHBondContact O-CB 3.29Å; E407-R411 WeakPolarHBondContact O-CG 3.45Å; E407-R411 PolarHBondContact O-N 3.32Å; E407-R411 PolarHBondContact O-NE 2.78Å; E407-R411 IonicContact OE1-CZ 2.8Å; E407-R411 IonicContact OE1-NH1 2.83Å; E407-R411 PolarHBondContact OE1-NH1 3.42Å; E407-R411 IonicContact OE1-NH2 3.65Å; E407-R411 PolarHBondContact OE1-NH2 2.85Å; E407-R411 IonicContact OE2-CZ 2.65Å; E407-R411 IonicContact OE2-NH1 3.79Å; E407-R411 IonicContact OE2-NH2 3.58Å; E407-R411 PolarHBondContact OE2-NH2 2.72Å
408	I	77.4	Confident	69.9	Low	72 Å²	72	105.5 Å²	105.5	37%	0.369	55%	0.548	S	S	.	.	H	α-helix	trans	-69.1	-48.4	172.4	-68.7	166.6	0	0	0	110.7	K404 L405 K406 D410 R411 F412	K404-I408 WeakPolarHBondContact O-CG1 3.26Å; K404-I408 PolarHBondContact O-N 2.84Å; L405-I408 PolarHBondContact O-N 3.36Å; K406-I408 VanDerWaalsContact C-N 3.27Å; K406-I408 PolarHBondContact O-N 2.78Å; I408-D410 PolarHBondContact O-N 2.83Å; I408-R411 PolarHBondContact O-N 2.81Å; I408-F412 HydrophobicContact CG2-CD2 3.77Å; I408-F412 HydrophobicContact CG2-CE2 3.68Å; I408-F412 WeakPolarHBondContact O-CD2 3.46Å; I408-F412 PolarHBondContact O-N 3.35Å
409	C	71.4	Confident	69.7	Low	67 Å²	67	105.3 Å²	105.3	45%	0.453	55%	0.548	S	S	.	.	H	α-helix	trans	-60.1	-42.4	177.9	-72.5	0	0	0	0	112.7	L405 K406 R411 F412 K413	L405-C409 PolarHBondContact O-N 3.46Å; L405-C409 PolarHBondContact O-SG 2.75Å; L405-C409 VanDerWaalsContact O-SG 3.32Å; K406-C409 PolarHBondContact O-N 2.91Å; K406-C409 VanDerWaalsContact O-N 3.16Å; C409-R411 VanDerWaalsContact C-N 3.35Å; C409-F412 PolarHBondContact O-N 3.07Å; C409-F412 VanDerWaalsContact O-N 3.15Å; C409-K413 WeakPolarHBondContact O-CG 3.17Å; C409-K413 PolarHBondContact O-N 2.89Å
410	D	77.2	Confident	69.3	Low	58 Å²	58	104.4 Å²	104.4	31%	0.31	55%	0.547	S	S	.	.	H	α-helix	trans	-72.6	-28.6	-179.7	-66	-24.7	0	0	0	111.7	K406 I408 K413 T414	K406-D410 WeakPolarHBondContact CE-OD2 3.36Å; K406-D410 WeakPolarHBondContact CG-OD2 3.36Å; K406-D410 WeakPolarHBondContact O-CB 2.97Å; K406-D410 PolarHBondContact O-N 3.47Å; I408-D410 PolarHBondContact O-N 2.83Å; D410-K413 IonicContact OD1-NZ 2.73Å; D410-K413 PolarHBondContact OD1-NZ 3.29Å; D410-T414 WeakPolarHBondContact O-CG2 3.44Å; D410-T414 PolarHBondContact O-N 3.23Å; D410-T414 VanDerWaalsContact O-N 3.11Å; D410-T414 PolarHBondContact O-OG1 3.07Å
411	R	73.5	Confident	68.7	Low	113 Å²	113	105.8 Å²	105.8	43%	0.426	55%	0.551	S	S	.	*	H	α-helix	trans	-69.2	-29.6	166	-80.6	-179	-68.3	-142.1	-7.5	114.1	E407 I408 C409 T414 R415	E407-R411 VanDerWaalsContact CD-NH1 3.33Å; E407-R411 WeakPolarHBondContact O-CB 3.29Å; E407-R411 WeakPolarHBondContact O-CG 3.45Å; E407-R411 PolarHBondContact O-N 3.32Å; E407-R411 PolarHBondContact O-NE 2.78Å; E407-R411 IonicContact OE1-CZ 2.8Å; E407-R411 IonicContact OE1-NH1 2.83Å; E407-R411 PolarHBondContact OE1-NH1 3.42Å; E407-R411 IonicContact OE1-NH2 3.65Å; E407-R411 PolarHBondContact OE1-NH2 2.85Å; E407-R411 IonicContact OE2-CZ 2.65Å; E407-R411 IonicContact OE2-NH1 3.79Å; E407-R411 IonicContact OE2-NH2 3.58Å; E407-R411 PolarHBondContact OE2-NH2 2.72Å; I408-R411 PolarHBondContact O-N 2.81Å; C409-R411 VanDerWaalsContact C-N 3.35Å; R411-T414 WeakPolarHBondContact CA-OG1 3.4Å; R411-T414 PolarHBondContact O-OG1 3.34Å; R411-R415 PolarHBondContact O-N 2.65Å
412	F	66.2	Low	68.3	Low	146 Å²	146	106.4 Å²	106.4	64%	0.64	56%	0.557	S	S	*	*	H	α-helix	trans	-74.7	-40.6	173.1	-86.9	-68	0	0	0	112	I408 C409 R415 G416	I408-F412 HydrophobicContact CG2-CD2 3.77Å; I408-F412 HydrophobicContact CG2-CE2 3.68Å; I408-F412 WeakPolarHBondContact O-CD2 3.46Å; I408-F412 PolarHBondContact O-N 3.35Å; C409-F412 PolarHBondContact O-N 3.07Å; C409-F412 VanDerWaalsContact O-N 3.15Å; F412-R415 PolarHBondContact O-N 2.79Å; F412-G416 PolarHBondContact O-N 3.4Å; F412-G416 VanDerWaalsContact O-N 3.08Å
413	K	69	Low	67.9	Low	127 Å²	127	107.8 Å²	107.8	55%	0.552	56%	0.559	S	S	*	*	H	α-helix	trans	-58.2	-53.1	173.3	-67.3	170.8	-167.4	161.6	0	111.4	C409 D410 R415 G416 D417	C409-K413 WeakPolarHBondContact O-CG 3.17Å; C409-K413 PolarHBondContact O-N 2.89Å; D410-K413 IonicContact OD1-NZ 2.73Å; D410-K413 PolarHBondContact OD1-NZ 3.29Å; K413-R415 PolarHBondContact O-N 3.16Å; K413-G416 WeakPolarHBondContact O-CA 3.23Å; K413-G416 PolarHBondContact O-N 3.09Å; K413-D417 PolarHBondContact O-N 2.96Å
414	T	63.5	Low	67	Low	90 Å²	90	112.3 Å²	112.3	55%	0.552	57%	0.569	S	S	*	*	H	α-helix	trans	-65.9	-9.8	179.9	48	0	0	0	0	114.8	D410 R411	D410-T414 WeakPolarHBondContact O-CG2 3.44Å; D410-T414 PolarHBondContact O-N 3.23Å; D410-T414 VanDerWaalsContact O-N 3.11Å; D410-T414 PolarHBondContact O-OG1 3.07Å; R411-T414 WeakPolarHBondContact CA-OG1 3.4Å; R411-T414 PolarHBondContact O-OG1 3.34Å
415	R	55.3	Low	66.1	Low	196 Å²	196	113.4 Å²	113.4	74%	0.74	58%	0.58	S	S	*	*	H	α-helix	trans	-99.4	-9.8	167.1	-81.4	-173.9	169.5	-165.1	-2.2	114.4	R411 F412 K413 T418	R411-R415 PolarHBondContact O-N 2.65Å; F412-R415 PolarHBondContact O-N 2.79Å; K413-R415 PolarHBondContact O-N 3.16Å; R415-T418 PolarHBondContact O-OG1 3.27Å
416	G	50.6	Low	65.5	Low	65 Å²	65	114.1 Å²	114.1	67%	0.67	58%	0.582	S	S	*	*	H	α-helix	trans	-84.1	-22.4	169.4	0	0	0	0	0	112.4	F412 K413 T418	F412-G416 PolarHBondContact O-N 3.4Å; F412-G416 VanDerWaalsContact O-N 3.08Å; K413-G416 WeakPolarHBondContact O-CA 3.23Å; K413-G416 PolarHBondContact O-N 3.09Å; G416-T418 VanDerWaalsContact C-N 3.31Å
417	D	46.7	Very low	64.2	Low	141 Å²	141	111.9 Å²	111.9	75%	0.754	58%	0.58	S	S	*	*			trans	-89.4	14.5	176.9	-58.4	-42.8	0	0	0	113.3	K413	K413-D417 PolarHBondContact O-N 2.96Å
418	T	40.9	Very low	62.9	Low	163 Å²	163	112.5 Å²	112.5	100%	1	59%	0.588	S	S	*	*			trans	-136.5	0	-179.6	61.2	0	0	0	0	112.9	R415 G416	R415-T418 PolarHBondContact O-OG1 3.27Å; G416-T418 VanDerWaalsContact C-N 3.31Å

Retrieved 418 of 418 residues in 751.2 ms (Link to these results)

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