A0A3Q0KQ62_SCHMA Loading...

Putative brian-specific homeobox protein

AlphaFold DB , UniProt , Accession A0A3Q0KQ62, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 609 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.7	Very low	29.4	Very low	235 Å²	235	155 Å²	155	100%	1.158	80%	0.801	S	S	*	*				0	91.8	0	-67.3	170.5	-179.2	0	0	105.4
2	S	28.4	Very low	29.1	Very low	106 Å²	106	149.8 Å²	149.8	74%	0.741	79%	0.788	S	S	*	*				86.5	124.8	56.2	-63	0	0	0	0	110.7
3	F	29.4	Very low	29.2	Very low	171 Å²	171	151.5 Å²	151.5	75%	0.75	80%	0.798	S	S	*	*			cis	-136	151.9	-6.7	-117.4	-126.3	0	0	0	105.3
4	E	28.1	Very low	28.8	Very low	137 Å²	137	147.7 Å²	147.7	64%	0.64	79%	0.789	S	S	*	*				39.5	144.4	88.9	-65.2	-166.9	168.6	0	0	114.8
5	M	28.8	Very low	28.6	Very low	143 Å²	143	151.4 Å²	151.4	70%	0.704	79%	0.789	S	S	*	*			cis	-171.5	-164.9	-6.8	-112.8	-163.5	-165.9	0	0	106
6	N	32.6	Very low	28.4	Very low	147 Å²	147	149.8 Å²	149.8	79%	0.786	78%	0.782	S	S	*	*			trans	79.3	141.6	156.8	-59.5	-47	0	0	0	117.3
7	S	30.7	Very low	28.6	Very low	101 Å²	101	149.3 Å²	149.3	71%	0.706	79%	0.787	S	S	*	*			cis	-155.5	157.9	-17.8	-166.5	0	0	0	0	110.3
8	S	25.3	Very low	28.6	Very low	102 Å²	102	148 Å²	148	71%	0.713	79%	0.786	S	S	*	*			trans	-70.7	163.6	170	-48.3	0	0	0	0	112.3
9	K	30.4	Very low	28.5	Very low	200 Å²	200	144.8 Å²	144.8	87%	0.87	78%	0.776	S	S	*	*			trans	110.6	136.9	-171.6	-66.9	154.9	-171.8	173.8	0	109
10	E	29.4	Very low	28.6	Very low	191 Å²	191	143.7 Å²	143.7	89%	0.893	78%	0.78	S	S	*	*			cis	-116.8	152.6	19	-65.1	176.3	139.5	0	0	113.8
11	M	26.2	Very low	28.6	Very low	172 Å²	172	143.2 Å²	143.2	85%	0.847	78%	0.777	S	S	*	*			trans	-94.4	153.7	166.4	-73.1	169.6	54.2	0	0	109.7
12	S	26.5	Very low	28.2	Very low	93 Å²	93	138.6 Å²	138.6	65%	0.65	76%	0.762	S	S	*	*			trans	47.6	102.9	150.3	59.4	0	0	0	0	118
13	N	30.1	Very low	28.2	Very low	172 Å²	172	139.5 Å²	139.5	92%	0.92	77%	0.766	S	S	*	*			trans	-137.2	142.6	133.5	-109.9	-40.1	0	0	0	110.9
14	C	23.8	Very low	28	Very low	98 Å²	98	136.4 Å²	136.4	66%	0.662	77%	0.765	S	S	*	*			trans	-105.6	-177	-172.7	-67	0	0	0	0	111.4
15	Y	25.9	Very low	27.9	Very low	203 Å²	203	136.7 Å²	136.7	80%	0.796	77%	0.77	S	S	*	*			trans	89	96.9	161	-59.6	-75.4	0	0	0	119.9
16	N	25.6	Very low	27.7	Very low	126 Å²	126	137 Å²	137	67%	0.674	77%	0.774	S	S	*	*				59.6	99.1	118.8	-61.5	1	0	0	0	121.4	V18	N16-V18 HydrophobicContact CB-CG2 4.46Å
17	T	30.6	Very low	27.4	Very low	141 Å²	141	139.7 Å²	139.7	87%	0.865	78%	0.779	S	S	*	*				-132.1	125.4	123.4	47.8	0	0	0	0	107.1
18	V	28.8	Very low	27.2	Very low	126 Å²	126	140.5 Å²	140.5	76%	0.764	77%	0.772	S	S	*	*			cis	71.2	125	39.1	-174.7	0	0	0	0	112.2	N16	N16-V18 HydrophobicContact CB-CG2 4.46Å
19	S	27.9	Very low	27.1	Very low	87 Å²	87	143.2 Å²	143.2	61%	0.608	78%	0.777	S	S	*	*			cis	-165.4	151.2	-24.5	-177.5	0	0	0	0	109.3	N21	S19-N21 PolarHBondContact OG-OD1 3.48Å
20	S	29.6	Very low	26.9	Very low	122 Å²	122	140.1 Å²	140.1	85%	0.853	77%	0.765	S	S	*	*			trans	-149.8	52	161.5	52.9	0	0	0	0	113.4
21	N	28.3	Very low	26.9	Very low	134 Å²	134	136 Å²	136	72%	0.717	75%	0.746	S	S	*	*			trans	17.6	108.4	156.4	-61.1	-10	0	0	0	118.9	S19	S19-N21 PolarHBondContact OG-OD1 3.48Å
22	T	25	Very low	26.9	Very low	138 Å²	138	131.5 Å²	131.5	85%	0.847	73%	0.725	S	S	*	*			trans	-82.2	142.2	143.8	49.5	0	0	0	0	110.1
23	P	29.5	Very low	26.8	Very low	126 Å²	126	132 Å²	132	82%	0.818	72%	0.72	S	S	*	*			trans	-105.3	126.5	150.8	-6.6	26.2	0	0	0	110.2
24	S	25.9	Very low	26.7	Very low	106 Å²	106	128.2 Å²	128.2	74%	0.741	70%	0.696	S	S	*	*			trans	-100.6	177.7	161.3	-171	0	0	0	0	108.9
25	I	25.1	Very low	26.9	Very low	143 Å²	143	129.1 Å²	129.1	73%	0.733	70%	0.704	S	S	*	*	S	Bend	trans	79.8	113.5	164.5	-60.2	161.2	0	0	0	116.6
26	N	24.5	Very low	27	Very low	149 Å²	149	124 Å²	124	80%	0.797	70%	0.698	S	S	*	*			trans	38.3	101.5	146.4	-55.3	-15.9	0	0	0	119.9
27	F	26.3	Very low	27.1	Very low	203 Å²	203	124.2 Å²	124.2	89%	0.89	70%	0.699	S	S	*	*			trans	-145.8	171.5	130.3	-146.6	-109	0	0	0	111.2
28	H	26.4	Very low	27	Very low	118 Å²	118	123 Å²	123	55%	0.546	69%	0.687	S	S	.	*			trans	67.9	54.9	172.2	-132.3	67.2	0	0	0	117.8	Q30 Q31	H28-Q30 PolarHBondContact CE1-O 2.82Å; H28-Q31 WeakPolarHBondContact NE2-CG 3.3Å
29	I	24.3	Very low	27.2	Very low	160 Å²	160	124.3 Å²	124.3	82%	0.821	69%	0.69	S	S	*	*				-75.7	147.9	128.3	-71.9	173.3	0	0	0	106.7
30	Q	26.2	Very low	27.1	Very low	134 Å²	134	126 Å²	126	63%	0.626	69%	0.692	S	S	*	*			trans	77.9	83.3	-178.7	-57.3	-116.1	39	0	0	117	H28	H28-Q30 PolarHBondContact CE1-O 2.82Å
31	Q	28.9	Very low	27.2	Very low	106 Å²	106	127 Å²	127	50%	0.495	69%	0.693	S	S	.	*			trans	-122.8	119.6	130.8	-101.6	-74.5	2	0	0	106.8	H28 K431	H28-Q31 WeakPolarHBondContact NE2-CG 3.3Å; Q31-K431 VanDerWaalsContact OE1-CE 3.23Å
32	L	25.6	Very low	27.2	Very low	77 Å²	77	125.1 Å²	125.1	40%	0.403	69%	0.69	S	S	.	*			trans	-80	178.6	-172.2	-72.8	163.4	0	0	0	112.6	K431	L32-K431 VanDerWaalsContact C-CE 3.5Å; L32-K431 HydrophobicContact CB-CG 4.47Å; L32-K431 WeakPolarHBondContact O-CE 3.49Å; L32-K431 PolarHBondContact O-NZ 3.28Å
33	L	24.7	Very low	27.4	Very low	103 Å²	103	123.4 Å²	123.4	54%	0.539	68%	0.684	S	S	.	*			trans	-71.7	-175.1	-171.6	-75.5	84.7	0	0	0	114.4	K431	L33-K431 WeakPolarHBondContact O-CE 3.33Å
34	H	26.9	Very low	27.5	Very low	92 Å²	92	123.8 Å²	123.8	43%	0.426	68%	0.679	S	S	.	*			trans	77.1	138.6	173.5	-42.9	101	0	0	0	114.8	E428 N430	H34-E428 IonicContact CE1-OE2 3.75Å; H34-N430 PolarHBondContact ND1-OD1 3.28Å
35	S	28.7	Very low	27.8	Very low	117 Å²	117	125.3 Å²	125.3	82%	0.818	68%	0.678	S	S	*	*			cis	-116.6	148.9	26.9	-61.5	0	0	0	0	116.7
36	S	27.3	Very low	27.9	Very low	96 Å²	96	122.7 Å²	122.7	67%	0.671	67%	0.673	S	S	*	*			trans	-95.8	-176.1	167.8	176.1	0	0	0	0	110.5
37	N	28.4	Very low	28.3	Very low	130 Å²	130	122.1 Å²	122.1	70%	0.695	67%	0.669	S	S	*	*			trans	87.9	139.9	163.9	-52.7	-1.9	0	0	0	114.5
38	N	28.8	Very low	28.5	Very low	116 Å²	116	119.3 Å²	119.3	62%	0.62	66%	0.657	S	S	*	*			cis	-156.7	159.1	-4.9	-108.3	-4	0	0	0	108.6
39	D	32.9	Very low	28.8	Very low	154 Å²	154	123.2 Å²	123.2	82%	0.824	67%	0.666	S	S	*	*				-178.4	168.9	102.9	-103	-36.6	0	0	0	114.3
40	N	26.6	Very low	29.2	Very low	122 Å²	122	122.3 Å²	122.3	65%	0.652	66%	0.663	S	S	*	*			trans	-111.2	-179.3	-159.1	-68.8	-86.6	0	0	0	114.4
41	T	32	Very low	29.5	Very low	143 Å²	143	123.5 Å²	123.5	88%	0.877	67%	0.672	S	S	*	*			trans	104.5	150.8	163.4	69.9	0	0	0	0	116.9
42	S	26.6	Very low	29.6	Very low	94 Å²	94	123.7 Å²	123.7	66%	0.657	68%	0.681	S	S	*	*			cis	176.6	140.5	-33.5	175.7	0	0	0	0	107.4
43	S	30.2	Very low	29.8	Very low	102 Å²	102	125.8 Å²	125.8	71%	0.713	70%	0.697	S	S	*	*			trans	61.3	158	155.5	51.6	0	0	0	0	117.2
44	D	31	Very low	30	Very low	134 Å²	134	126.1 Å²	126.1	72%	0.717	70%	0.703	S	S	*	*			cis	-157.1	176.9	-2.7	-136.1	-33.1	0	0	0	113
45	L	32.1	Very low	30.1	Very low	138 Å²	138	127 Å²	127	72%	0.723	72%	0.716	S	S	*	*			trans	44.9	123.5	153.8	-57.7	167.4	0	0	0	119.7
46	S	28.3	Very low	30.1	Very low	89 Å²	89	127.4 Å²	127.4	62%	0.622	71%	0.713	S	S	*	*			cis	94	154.2	32.8	87.9	0	0	0	0	116.5
47	L	31.7	Very low	30.4	Very low	136 Å²	136	128.2 Å²	128.2	71%	0.712	71%	0.714	S	S	*	*			trans	82.2	144.9	170.8	-53	163.6	0	0	0	117.4
48	K	31.7	Very low	30.6	Very low	145 Å²	145	129 Å²	129	63%	0.63	71%	0.714	S	S	*	*			cis	-174.5	154.4	-27.9	-126.9	-179.3	-155.5	153.3	0	112
49	R	32.5	Very low	30.8	Very low	199 Å²	199	128.7 Å²	128.7	75%	0.751	71%	0.712	S	S	*	*			trans	69.2	165.9	154.4	-65.9	177.6	-168.1	122.1	-10.5	118.8
50	N	32.2	Very low	30.7	Very low	141 Å²	141	130.2 Å²	130.2	75%	0.754	71%	0.706	S	S	*	*			cis	-178.9	-177	-41	-93.1	5.7	0	0	0	107.9
51	I	33	Very low	30.9	Very low	160 Å²	160	134.3 Å²	134.3	82%	0.821	71%	0.714	S	S	*	*			trans	87.7	138.4	154.8	-56.1	-175.6	0	0	0	116.8
52	T	30.9	Very low	30.9	Very low	109 Å²	109	132.8 Å²	132.8	67%	0.669	71%	0.709	S	S	*	*			cis	-179.4	131.1	-30.4	-100.2	0	0	0	0	111.8
53	T	28.7	Very low	31.1	Very low	121 Å²	121	134 Å²	134	74%	0.742	72%	0.718	S	S	*	*			trans	58.7	170.4	157.4	58.9	0	0	0	0	120.7
54	T	29.3	Very low	31.2	Very low	110 Å²	110	133 Å²	133	68%	0.675	72%	0.723	S	S	*	*			cis	-159.9	138.7	1.3	0.4	0	0	0	0	113.9
55	T	29	Very low	31.1	Very low	112 Å²	112	134.4 Å²	134.4	69%	0.687	73%	0.725	S	S	*	*			trans	41.4	140.1	138.6	58.8	0	0	0	0	126.7
56	T	29.8	Very low	31.4	Very low	124 Å²	124	136.9 Å²	136.9	76%	0.761	73%	0.73	S	S	*	*			trans	71.6	155	142.2	45.2	0	0	0	0	120.7
57	T	32.4	Very low	31.3	Very low	114 Å²	114	141.7 Å²	141.7	70%	0.699	74%	0.742	S	S	*	*			cis	-155.6	146.1	13.3	5.3	0	0	0	0	114
58	E	31.9	Very low	31.5	Very low	146 Å²	146	140.4 Å²	140.4	68%	0.682	74%	0.742	S	S	*	*			trans	64.4	156.8	137.7	-72.3	-169.1	-176.8	0	0	127.8
59	N	33.2	Very low	31.4	Very low	109 Å²	109	140.5 Å²	140.5	58%	0.583	76%	0.755	S	S	*	*			trans	81.9	144.3	148.7	-63.6	-40.4	0	0	0	120
60	R	31.3	Very low	31.1	Very low	187 Å²	187	137.1 Å²	137.1	71%	0.706	76%	0.757	S	S	*	*			cis	-171.5	145.6	-15	-116.7	175.3	-148.3	-160.2	9.7	112.1
61	Y	31.8	Very low	30.9	Very low	208 Å²	208	136.3 Å²	136.3	82%	0.816	76%	0.762	S	S	*	*			trans	55	166	155	-68.1	-65.1	0	0	0	119.1
62	S	31	Very low	30.6	Very low	111 Å²	111	136 Å²	136	78%	0.776	76%	0.761	S	S	*	*			cis	-148.5	177.6	-0.9	-139.2	0	0	0	0	112.6
63	S	30.1	Very low	30.5	Very low	120 Å²	120	138.4 Å²	138.4	84%	0.839	77%	0.77	S	S	*	*			trans	-102.5	166.8	-175.8	54	0	0	0	0	115.4
64	G	33.3	Very low	30.3	Very low	79 Å²	79	141.3 Å²	141.3	81%	0.814	78%	0.775	S	S	*	*			trans	-172.4	134.4	169.7	0	0	0	0	0	113.8
65	E	29.7	Very low	30.2	Very low	164 Å²	164	140.6 Å²	140.6	77%	0.766	77%	0.774	S	S	*	*			trans	-110.3	155.2	-173.7	-46.1	166.2	127.1	0	0	112.9
66	K	36.9	Very low	30.2	Very low	190 Å²	190	142.5 Å²	142.5	83%	0.826	78%	0.775	S	S	*	*				173.6	172.9	112.9	-96.3	147.3	-168.2	170.3	0	115.5
67	H	27.4	Very low	30	Very low	190 Å²	190	146.6 Å²	146.6	88%	0.88	78%	0.778	S	S	*	*			trans	-92.1	169.3	-159.6	-100.4	-108.5	0	0	0	116
68	P	34.9	Very low	29.8	Very low	109 Å²	109	147.5 Å²	147.5	71%	0.708	78%	0.784	S	S	*	*			trans	-108.7	172.8	-164.9	41.8	-35.9	0	0	0	115.7
69	T	30.5	Very low	29.6	Very low	148 Å²	148	149 Å²	149	91%	0.908	80%	0.795	S	S	*	*			trans	-142.7	148.5	162	27.9	0	0	0	0	114.4
70	V	25.1	Very low	29.2	Very low	128 Å²	128	148.6 Å²	148.6	78%	0.776	80%	0.801	S	S	*	*			trans	-56	148.2	-172.8	177.2	0	0	0	0	116.7
71	S	28.7	Very low	29.3	Very low	123 Å²	123	145.4 Å²	145.4	86%	0.86	81%	0.805	S	S	*	*			trans	-153	143.2	140.2	-78.7	0	0	0	0	110.4
72	L	26	Very low	29.3	Very low	155 Å²	155	141.9 Å²	141.9	81%	0.812	80%	0.8	S	S	*	*			trans	-104.9	145.7	-179.6	-73.3	164.7	0	0	0	110.7
73	N	29.5	Very low	29.5	Very low	158 Å²	158	142.7 Å²	142.7	85%	0.845	79%	0.79	S	S	*	*				-171.8	163.8	126.8	-95.4	-7.9	0	0	0	112.1
74	E	24.7	Very low	29.8	Very low	182 Å²	182	143.6 Å²	143.6	85%	0.85	78%	0.779	S	S	*	*			trans	-68.9	155.8	-168.7	-54	159.4	123.8	0	0	112
75	S	27.2	Very low	29.9	Very low	95 Å²	95	145 Å²	145	66%	0.664	77%	0.767	S	S	*	*				179.6	170.1	54.4	51.4	0	0	0	0	113.4
76	H	28.7	Very low	30.1	Very low	153 Å²	153	144.9 Å²	144.9	71%	0.708	77%	0.767	S	S	*	*			trans	67.1	111.2	158.3	-61.6	-54.4	0	0	0	122.6
77	Y	25.7	Very low	30.1	Very low	209 Å²	209	139 Å²	139	82%	0.82	75%	0.75	S	S	*	*			trans	29.5	122.8	139.1	-49.6	-73.2	0	0	0	119.5
78	T	29.1	Very low	30.5	Very low	134 Å²	134	133.5 Å²	133.5	82%	0.822	73%	0.727	S	S	*	*				-162.2	143.8	59.4	33.7	0	0	0	0	111.5
79	L	26.4	Very low	30.4	Very low	176 Å²	176	131.8 Å²	131.8	92%	0.921	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-95.7	141.7	174.8	-103.8	76.4	0	0	0	112.3
80	S	25.2	Very low	30.5	Very low	101 Å²	101	129.7 Å²	129.7	71%	0.706	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-84.6	135.6	169.9	-170.9	0	0	0	0	111	N82	S80-N82 PolarHBondContact O-N 3.08Å
81	P	34.5	Very low	31.1	Very low	121 Å²	121	127 Å²	127	79%	0.786	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-64.2	121.7	176.4	-21.4	33.6	0	0	0	111.9
82	N	30	Very low	31.8	Very low	134 Å²	134	124.3 Å²	124.3	72%	0.717	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-87.2	161.6	-176.1	-124.3	-55.1	0	0	0	112.1	S80 K84	S80-N82 PolarHBondContact O-N 3.08Å; N82-K84 PolarHBondContact O-N 3.42Å
83	K	36.2	Very low	32.1	Very low	127 Å²	127	120.4 Å²	120.4	55%	0.552	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	27.7	-178.3	-54.1	179.6	86.5	-162.7	0	114.4	P351 D352	K83-P351 PolarHBondContact NZ-O 3.12Å; K83-D352 IonicContact NZ-OD1 3.74Å; K83-D352 PolarHBondContact NZ-OD1 2.86Å; K83-D352 IonicContact NZ-OD2 2.93Å; K83-D352 PolarHBondContact NZ-OD2 2.97Å
84	K	37.1	Very low	32.5	Very low	140 Å²	140	116.4 Å²	116.4	61%	0.609	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	-23.4	-165	-145.1	174.4	-177	-174.6	0	114.8	N82 Q86 S87	N82-K84 PolarHBondContact O-N 3.42Å; K84-Q86 VanDerWaalsContact C-N 3.28Å; K84-Q86 PolarHBondContact O-N 2.99Å; K84-Q86 VanDerWaalsContact O-N 3.07Å; K84-S87 PolarHBondContact O-OG 2.84Å; K84-S87 VanDerWaalsContact O-OG 3.09Å
85	D	34.1	Very low	33.2	Very low	108 Å²	108	113.1 Å²	113.1	58%	0.578	61%	0.605	S	S	*	*	H	α-helix	trans	-69.3	-14.1	-164.2	-51.3	-19.2	0	0	0	115.7	T89	D85-T89 WeakPolarHBondContact O-CB 3.37Å; D85-T89 VanDerWaalsContact O-CG2 3.29Å; D85-T89 WeakPolarHBondContact O-CG2 3.45Å; D85-T89 PolarHBondContact O-N 2.84Å; D85-T89 PolarHBondContact O-OG1 2.95Å
86	Q	34.7	Very low	33.6	Very low	161 Å²	161	112 Å²	112	75%	0.752	59%	0.592	S	S	*	*	H	α-helix	trans	-84.5	-26.1	-176	-76.2	-168.6	11.1	0	0	115.3	K84 T89 N90	K84-Q86 VanDerWaalsContact C-N 3.28Å; K84-Q86 PolarHBondContact O-N 2.99Å; K84-Q86 VanDerWaalsContact O-N 3.07Å; Q86-T89 WeakPolarHBondContact CA-OG1 3.4Å; Q86-N90 PolarHBondContact O-ND2 3.32Å
87	S	36.5	Very low	33.8	Very low	67 Å²	67	107.4 Å²	107.4	47%	0.469	57%	0.572	S	S	.	*	H	α-helix	trans	-69.5	-43.5	164.3	45.8	0	0	0	0	110.1	K84 N90 T91	K84-S87 PolarHBondContact O-OG 2.84Å; K84-S87 VanDerWaalsContact O-OG 3.09Å; S87-N90 PolarHBondContact O-N 3.09Å; S87-T91 WeakPolarHBondContact O-CB 3.24Å; S87-T91 PolarHBondContact O-N 2.99Å; S87-T91 PolarHBondContact O-OG1 2.96Å
88	D	35.2	Very low	34.7	Very low	75 Å²	75	103.6 Å²	103.6	40%	0.401	57%	0.565	S	S	.	*	H	α-helix	trans	-76.2	-35.6	-166.6	-61.8	11.6	0	0	0	110.2	T91 T92	D88-T91 PolarHBondContact O-N 2.75Å; D88-T92 WeakPolarHBondContact O-CB 3.41Å; D88-T92 PolarHBondContact O-N 3.45Å; D88-T92 PolarHBondContact O-OG1 3.21Å
89	T	33.1	Very low	35.2	Very low	73 Å²	73	104.1 Å²	104.1	45%	0.448	56%	0.563	S	S	.	*	H	α-helix	trans	-64.1	-45.7	170.9	43.2	0	0	0	0	113.2	D85 Q86 T91 T92 I93	D85-T89 WeakPolarHBondContact O-CB 3.37Å; D85-T89 VanDerWaalsContact O-CG2 3.29Å; D85-T89 WeakPolarHBondContact O-CG2 3.45Å; D85-T89 PolarHBondContact O-N 2.84Å; D85-T89 PolarHBondContact O-OG1 2.95Å; Q86-T89 WeakPolarHBondContact CA-OG1 3.4Å; T89-T91 VanDerWaalsContact C-N 3.34Å; T89-T91 PolarHBondContact O-N 3.08Å; T89-T92 PolarHBondContact O-N 3.39Å; T89-I93 WeakPolarHBondContact O-CB 3.32Å; T89-I93 WeakPolarHBondContact O-CD1 3.3Å; T89-I93 WeakPolarHBondContact O-CG1 3.08Å; T89-I93 PolarHBondContact O-N 3.46Å
90	N	32.9	Very low	35.8	Very low	103 Å²	103	99.5 Å²	99.5	55%	0.551	53%	0.534	S	S	*	.	H	α-helix	trans	-65.2	-38	176.9	-76.2	-52.3	0	0	0	112.2	Q86 S87 T94	Q86-N90 PolarHBondContact O-ND2 3.32Å; S87-N90 PolarHBondContact O-N 3.09Å; N90-T94 PolarHBondContact O-N 3.14Å; N90-T94 PolarHBondContact O-OG1 3.14Å
91	T	38.7	Very low	36.7	Very low	71 Å²	71	97.8 Å²	97.8	44%	0.436	52%	0.517	S	S	.	.	H	α-helix	trans	-67.6	-43.3	176.1	-51.3	0	0	0	0	110.9	S87 D88 T89 T94 Q95	S87-T91 WeakPolarHBondContact O-CB 3.24Å; S87-T91 PolarHBondContact O-N 2.99Å; S87-T91 PolarHBondContact O-OG1 2.96Å; D88-T91 PolarHBondContact O-N 2.75Å; T89-T91 VanDerWaalsContact C-N 3.34Å; T89-T91 PolarHBondContact O-N 3.08Å; T91-T94 PolarHBondContact O-N 3.4Å; T91-Q95 WeakPolarHBondContact O-CG 3.41Å; T91-Q95 PolarHBondContact O-N 3.14Å
92	T	42.1	Very low	37.2	Very low	68 Å²	68	96.9 Å²	96.9	42%	0.417	51%	0.511	S	S	.	.	H	α-helix	trans	-65.1	-40.3	176.7	-57	0	0	0	0	111.6	D88 T89 T94 Q95 L96	D88-T92 WeakPolarHBondContact O-CB 3.41Å; D88-T92 PolarHBondContact O-N 3.45Å; D88-T92 PolarHBondContact O-OG1 3.21Å; T89-T92 PolarHBondContact O-N 3.39Å; T92-T94 VanDerWaalsContact C-N 3.33Å; T92-T94 PolarHBondContact O-N 2.88Å; T92-Q95 PolarHBondContact O-N 3.31Å; T92-L96 HydrophobicContact CG2-CD1 4Å; T92-L96 HydrophobicContact CG2-CG 4.39Å; T92-L96 WeakPolarHBondContact O-CB 3.46Å; T92-L96 VanDerWaalsContact O-CG 3.29Å; T92-L96 WeakPolarHBondContact O-CG 3.44Å; T92-L96 PolarHBondContact O-N 3.21Å
93	I	32.7	Very low	38.1	Very low	72 Å²	72	97.7 Å²	97.7	37%	0.369	51%	0.511	S	S	.	.	H	α-helix	trans	-59.5	-45.7	171.9	-72.7	163.5	0	0	0	110	T89 Q95 L96 L97	T89-I93 WeakPolarHBondContact O-CB 3.32Å; T89-I93 WeakPolarHBondContact O-CD1 3.3Å; T89-I93 WeakPolarHBondContact O-CG1 3.08Å; T89-I93 PolarHBondContact O-N 3.46Å; I93-Q95 PolarHBondContact O-N 3.43Å; I93-L96 PolarHBondContact O-N 3.26Å; I93-L97 HydrophobicContact CG2-CD1 3.71Å; I93-L97 HydrophobicContact CG2-CG 4.35Å; I93-L97 WeakPolarHBondContact O-CB 3.26Å; I93-L97 WeakPolarHBondContact O-CD1 3.08Å; I93-L97 WeakPolarHBondContact O-CG 3.33Å; I93-L97 PolarHBondContact O-N 3.1Å
94	T	37.8	Very low	38.5	Very low	74 Å²	74	95.6 Å²	95.6	45%	0.454	50%	0.502	S	S	.	.	H	α-helix	trans	-64.3	-39.1	178.8	-51.4	0	0	0	0	112.1	N90 T91 T92 L97 N98	N90-T94 PolarHBondContact O-N 3.14Å; N90-T94 PolarHBondContact O-OG1 3.14Å; T91-T94 PolarHBondContact O-N 3.4Å; T92-T94 VanDerWaalsContact C-N 3.33Å; T92-T94 PolarHBondContact O-N 2.88Å; T94-L97 PolarHBondContact O-N 3.27Å; T94-N98 WeakPolarHBondContact O-CB 3.46Å; T94-N98 PolarHBondContact O-N 3.12Å
95	Q	39.7	Very low	38.9	Very low	114 Å²	114	91.2 Å²	91.2	53%	0.533	48%	0.484	S	S	.	.	H	α-helix	trans	-69.2	-38.6	175.1	-72.4	173.6	-15.9	0	0	112.7	T91 T92 I93 N98 N99	T91-Q95 WeakPolarHBondContact O-CG 3.41Å; T91-Q95 PolarHBondContact O-N 3.14Å; T92-Q95 PolarHBondContact O-N 3.31Å; I93-Q95 PolarHBondContact O-N 3.43Å; Q95-N98 PolarHBondContact O-N 3.4Å; Q95-N99 PolarHBondContact O-N 2.81Å; Q95-N99 VanDerWaalsContact O-N 3.07Å; Q95-N99 PolarHBondContact O-ND2 2.79Å
96	L	35.2	Very low	39.5	Very low	72 Å²	72	88.7 Å²	88.7	38%	0.377	48%	0.475	S	S	.	.	H	α-helix	trans	-63.6	-40.4	172.8	-77.5	166.1	0	0	0	111.7	T92 I93 N99 Y100	T92-L96 HydrophobicContact CG2-CD1 4Å; T92-L96 HydrophobicContact CG2-CG 4.39Å; T92-L96 WeakPolarHBondContact O-CB 3.46Å; T92-L96 VanDerWaalsContact O-CG 3.29Å; T92-L96 WeakPolarHBondContact O-CG 3.44Å; T92-L96 PolarHBondContact O-N 3.21Å; I93-L96 PolarHBondContact O-N 3.26Å; L96-N99 PolarHBondContact O-N 3.24Å; L96-Y100 PolarHBondContact O-N 2.77Å
97	L	34	Very low	40	Very low	55 Å²	55	86.6 Å²	86.6	29%	0.288	47%	0.469	S	S	.	.	H	α-helix	trans	-67.6	-39.8	176.2	-67.6	165.2	0	0	0	111.8	I93 T94 N99 Y100 L105	I93-L97 HydrophobicContact CG2-CD1 3.71Å; I93-L97 HydrophobicContact CG2-CG 4.35Å; I93-L97 WeakPolarHBondContact O-CB 3.26Å; I93-L97 WeakPolarHBondContact O-CD1 3.08Å; I93-L97 WeakPolarHBondContact O-CG 3.33Å; I93-L97 PolarHBondContact O-N 3.1Å; T94-L97 PolarHBondContact O-N 3.27Å; L97-N99 VanDerWaalsContact C-N 3.34Å; L97-N99 PolarHBondContact O-N 2.87Å; L97-Y100 WeakPolarHBondContact O-CB 3.14Å; L97-Y100 PolarHBondContact O-N 3.28Å; L97-L105 HydrophobicContact CD2-CD1 3.57Å
98	N	43.5	Very low	40.4	Very low	129 Å²	129	85.9 Å²	85.9	69%	0.69	46%	0.457	S	S	*	.	H	α-helix	trans	-68.8	-28.4	176.9	-78.4	-5.5	0	0	0	113.7	T94 Q95 Y100	T94-N98 WeakPolarHBondContact O-CB 3.46Å; T94-N98 PolarHBondContact O-N 3.12Å; Q95-N98 PolarHBondContact O-N 3.4Å; N98-Y100 VanDerWaalsContact C-N 3.33Å
99	N	40.1	Very low	40.9	Very low	145 Å²	145	84.9 Å²	84.9	78%	0.775	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	0.8	174.9	-70.7	-21.2	0	0	0	113	Q95 L96 L97	Q95-N99 PolarHBondContact O-N 2.81Å; Q95-N99 VanDerWaalsContact O-N 3.07Å; Q95-N99 PolarHBondContact O-ND2 2.79Å; L96-N99 PolarHBondContact O-N 3.24Å; L97-N99 VanDerWaalsContact C-N 3.34Å; L97-N99 PolarHBondContact O-N 2.87Å
100	Y	37.8	Very low	41.5	Very low	80 Å²	80	87.1 Å²	87.1	31%	0.314	46%	0.458	S	S	.	.	S	Bend	trans	-81.9	142.4	-178.8	-131.5	-94.9	0	0	0	111.2	L96 L97 N98 K104 F140	L96-Y100 PolarHBondContact O-N 2.77Å; L97-Y100 WeakPolarHBondContact O-CB 3.14Å; L97-Y100 PolarHBondContact O-N 3.28Å; N98-Y100 VanDerWaalsContact C-N 3.33Å; Y100-K104 HydrophobicContact CD1-CB 4.17Å; Y100-K104 HydrophobicContact CE1-CB 4.06Å; Y100-F140 HydrophobicContact CE2-CE1 4.49Å; Y100-F140 HydrophobicContact CE2-CZ 4.16Å
101	D	45.7	Very low	42	Very low	65 Å²	65	87.3 Å²	87.3	35%	0.348	46%	0.458	S	S	.	.			trans	-51.2	120.3	170.2	170.3	-19.8	0	0	0	109.7	E103 K104 L105	D101-E103 VanDerWaalsContact C-N 3.29Å; D101-E103 PolarHBondContact O-N 2.78Å; D101-E103 PolarHBondContact OD1-N 2.69Å; D101-K104 HydrophobicContact CB-CB 4.03Å; D101-K104 HydrophobicContact CB-CD 3.96Å; D101-K104 HydrophobicContact CB-CG 4.07Å; D101-K104 CarbonylContact O-C 3.28Å; D101-K104 PolarHBondContact O-N 3.24Å; D101-K104 VanDerWaalsContact O-N 3.12Å; D101-K104 PolarHBondContact OD1-N 3.23Å; D101-K104 VanDerWaalsContact OD2-CD 3.3Å; D101-K104 WeakPolarHBondContact OD2-CD 3.39Å; D101-K104 WeakPolarHBondContact OD2-CE 3.31Å; D101-K104 WeakPolarHBondContact OD2-CG 3.46Å; D101-K104 IonicContact OD2-NZ 3.98Å; D101-L105 WeakPolarHBondContact O-CB 3.38Å; D101-L105 PolarHBondContact O-N 3.46Å
102	P	44	Very low	42.1	Very low	101 Å²	101	85.7 Å²	85.7	66%	0.656	45%	0.448	S	S	*	.	H	α-helix	trans	-69	-24.5	-170.6	27	-34.8	0	0	0	113.3	S106	P102-S106 VanDerWaalsContact O-CB 3.26Å; P102-S106 WeakPolarHBondContact O-CB 3.33Å; P102-S106 PolarHBondContact O-N 3.07Å
103	E	49.4	Very low	42.1	Very low	152 Å²	152	88 Å²	88	71%	0.71	45%	0.454	S	S	*	.	H	α-helix	trans	-72.7	-41.1	172	-66.1	-160.1	157.5	0	0	110.6	D101 L105 S106 L107	D101-E103 VanDerWaalsContact C-N 3.29Å; D101-E103 PolarHBondContact O-N 2.78Å; D101-E103 PolarHBondContact OD1-N 2.69Å; E103-L105 VanDerWaalsContact C-N 3.35Å; E103-S106 CarbonylContact O-C 3.37Å; E103-S106 WeakPolarHBondContact O-CB 3.47Å; E103-S106 PolarHBondContact O-N 3.48Å; E103-L107 WeakPolarHBondContact O-CB 3.4Å; E103-L107 PolarHBondContact O-N 3.41Å
104	K	43.7	Very low	42.4	Very low	83 Å²	83	88.6 Å²	88.6	36%	0.361	46%	0.458	S	S	.	.	H	α-helix	trans	-68	-35.2	174.4	-65	-179.5	-170.1	176.7	0	112	Y100 D101 L107 F108 Y147	Y100-K104 HydrophobicContact CD1-CB 4.17Å; Y100-K104 HydrophobicContact CE1-CB 4.06Å; D101-K104 HydrophobicContact CB-CB 4.03Å; D101-K104 HydrophobicContact CB-CD 3.96Å; D101-K104 HydrophobicContact CB-CG 4.07Å; D101-K104 CarbonylContact O-C 3.28Å; D101-K104 PolarHBondContact O-N 3.24Å; D101-K104 VanDerWaalsContact O-N 3.12Å; D101-K104 PolarHBondContact OD1-N 3.23Å; D101-K104 VanDerWaalsContact OD2-CD 3.3Å; D101-K104 WeakPolarHBondContact OD2-CD 3.39Å; D101-K104 WeakPolarHBondContact OD2-CE 3.31Å; D101-K104 WeakPolarHBondContact OD2-CG 3.46Å; D101-K104 IonicContact OD2-NZ 3.98Å; K104-L107 PolarHBondContact O-N 3.48Å; K104-F108 WeakPolarHBondContact O-CB 3.44Å; K104-F108 PolarHBondContact O-N 3.49Å; K104-Y147 PolarHBondContact NZ-OH 2.84Å; K104-Y147 VanDerWaalsContact NZ-OH 3.07Å
105	L	46.2	Very low	42.4	Very low	47 Å²	47	89.2 Å²	89.2	25%	0.246	46%	0.458	C	S	.	.	H	α-helix	trans	-68.3	-37.2	172.3	-169.7	66.3	0	0	0	111.1	L97 D101 E103 T109	L97-L105 HydrophobicContact CD2-CD1 3.57Å; D101-L105 WeakPolarHBondContact O-CB 3.38Å; D101-L105 PolarHBondContact O-N 3.46Å; E103-L105 VanDerWaalsContact C-N 3.35Å; L105-T109 WeakPolarHBondContact O-CB 3.17Å; L105-T109 PolarHBondContact O-N 2.59Å; L105-T109 PolarHBondContact O-OG1 3.45Å
106	S	46.1	Very low	42.1	Very low	55 Å²	55	87.2 Å²	87.2	39%	0.385	46%	0.456	S	S	.	.	H	α-helix	trans	-66	-40	172	-166.1	0	0	0	0	112.1	P102 E103 T109 K110	P102-S106 VanDerWaalsContact O-CB 3.26Å; P102-S106 WeakPolarHBondContact O-CB 3.33Å; P102-S106 PolarHBondContact O-N 3.07Å; E103-S106 CarbonylContact O-C 3.37Å; E103-S106 WeakPolarHBondContact O-CB 3.47Å; E103-S106 PolarHBondContact O-N 3.48Å; S106-T109 PolarHBondContact O-N 2.97Å; S106-K110 WeakPolarHBondContact O-CB 3.3Å; S106-K110 WeakPolarHBondContact O-CG 3.46Å; S106-K110 PolarHBondContact O-N 2.8Å
107	L	46.8	Very low	42.2	Very low	118 Å²	118	91.2 Å²	91.2	62%	0.618	47%	0.466	S	S	*	.	H	α-helix	trans	-67.4	-45	174.1	-86.4	165.1	0	0	0	112.3	E103 K104 T109 K110 L111	E103-L107 WeakPolarHBondContact O-CB 3.4Å; E103-L107 PolarHBondContact O-N 3.41Å; K104-L107 PolarHBondContact O-N 3.48Å; L107-T109 VanDerWaalsContact C-N 3.33Å; L107-K110 PolarHBondContact O-N 3.37Å; L107-L111 VanDerWaalsContact O-CB 3.24Å; L107-L111 WeakPolarHBondContact O-CB 3.41Å; L107-L111 PolarHBondContact O-N 3.38Å
108	F	43.1	Very low	42.3	Very low	51 Å²	51	93.5 Å²	93.5	22%	0.224	48%	0.478	C	S	.	.	H	α-helix	trans	-62.7	-41.5	173.2	178.4	-97.7	0	0	0	110.9	K104 L111 T112 F140	K104-F108 WeakPolarHBondContact O-CB 3.44Å; K104-F108 PolarHBondContact O-N 3.49Å; F108-L111 PolarHBondContact O-N 2.87Å; F108-T112 HydrophobicContact CD1-CG2 4.27Å; F108-T112 HydrophobicContact CD2-CG2 4.19Å; F108-T112 HydrophobicContact CE1-CG2 3.84Å; F108-T112 HydrophobicContact CE2-CG2 3.76Å; F108-T112 HydrophobicContact CG-CG2 4.44Å; F108-T112 HydrophobicContact CZ-CG2 3.56Å; F108-T112 WeakPolarHBondContact O-CB 3.48Å; F108-T112 WeakPolarHBondContact O-CG2 3.31Å; F108-T112 PolarHBondContact O-N 3.25Å; F108-T112 PolarHBondContact O-OG1 2.81Å; F108-F140 HydrophobicContact CE1-CD2 4.38Å; F108-F140 HydrophobicContact CE1-CE2 4.1Å; F108-F140 AromaticContact CE2-CD2 3.97Å; F108-F140 HydrophobicContact CE2-CD2 3.97Å; F108-F140 HydrophobicContact CE2-CE2 4.12Å; F108-F140 AromaticContact CZ-CD2 3.73Å; F108-F140 HydrophobicContact CZ-CD2 3.73Å; F108-F140 AromaticContact CZ-CE2 3.87Å; F108-F140 HydrophobicContact CZ-CE2 3.87Å
109	T	46.1	Very low	41.9	Very low	54 Å²	54	89 Å²	89	33%	0.331	45%	0.454	S	S	.	.	H	α-helix	trans	-65.6	-39	175.1	-59.9	0	0	0	0	111.1	L105 S106 L107 T112 Q113	L105-T109 WeakPolarHBondContact O-CB 3.17Å; L105-T109 PolarHBondContact O-N 2.59Å; L105-T109 PolarHBondContact O-OG1 3.45Å; S106-T109 PolarHBondContact O-N 2.97Å; L107-T109 VanDerWaalsContact C-N 3.33Å; T109-T112 PolarHBondContact O-OG1 2.81Å; T109-Q113 HydrophobicContact CG2-CG 4.2Å; T109-Q113 WeakPolarHBondContact O-CA 3.29Å; T109-Q113 WeakPolarHBondContact O-CB 3.39Å; T109-Q113 WeakPolarHBondContact O-CG 3.39Å; T109-Q113 PolarHBondContact O-N 2.98Å
110	K	46.5	Very low	41.9	Very low	121 Å²	121	86.9 Å²	86.9	53%	0.526	45%	0.447	S	S	.	.	H	α-helix	trans	-71.7	-36.9	174.6	-82.8	172.7	175.9	166.4	0	113.2	S106 L107 Q113 N114	S106-K110 WeakPolarHBondContact O-CB 3.3Å; S106-K110 WeakPolarHBondContact O-CG 3.46Å; S106-K110 PolarHBondContact O-N 2.8Å; L107-K110 PolarHBondContact O-N 3.37Å; K110-Q113 PolarHBondContact O-N 2.98Å; K110-N114 VanDerWaalsContact O-CB 3.28Å; K110-N114 WeakPolarHBondContact O-CB 3.21Å; K110-N114 PolarHBondContact O-N 2.84Å
111	L	42.2	Very low	42.2	Very low	106 Å²	106	88.5 Å²	88.5	56%	0.555	46%	0.457	S	S	*	.	H	α-helix	trans	-72	-43.5	177.8	-177.2	137.8	0	0	0	110.7	L107 F108 L115	L107-L111 VanDerWaalsContact O-CB 3.24Å; L107-L111 WeakPolarHBondContact O-CB 3.41Å; L107-L111 PolarHBondContact O-N 3.38Å; F108-L111 PolarHBondContact O-N 2.87Å; L111-L115 HydrophobicContact CD2-CD1 3.74Å; L111-L115 HydrophobicContact CG-CD1 4.4Å; L111-L115 WeakPolarHBondContact O-CB 3.47Å; L111-L115 VanDerWaalsContact O-CG 3.26Å; L111-L115 WeakPolarHBondContact O-CG 3.44Å; L111-L115 PolarHBondContact O-N 2.75Å
112	T	40.7	Very low	41.9	Very low	38 Å²	38	87.7 Å²	87.7	23%	0.233	45%	0.452	C	S	.	.	H	α-helix	trans	-71.1	-30.5	170.9	56.9	0	0	0	0	112.7	F108 T109 C116	F108-T112 HydrophobicContact CD1-CG2 4.27Å; F108-T112 HydrophobicContact CD2-CG2 4.19Å; F108-T112 HydrophobicContact CE1-CG2 3.84Å; F108-T112 HydrophobicContact CE2-CG2 3.76Å; F108-T112 HydrophobicContact CG-CG2 4.44Å; F108-T112 HydrophobicContact CZ-CG2 3.56Å; F108-T112 WeakPolarHBondContact O-CB 3.48Å; F108-T112 WeakPolarHBondContact O-CG2 3.31Å; F108-T112 PolarHBondContact O-N 3.25Å; F108-T112 PolarHBondContact O-OG1 2.81Å; T109-T112 PolarHBondContact O-OG1 2.81Å; T112-C116 WeakPolarHBondContact O-CA 3.24Å; T112-C116 WeakPolarHBondContact O-CB 3.28Å; T112-C116 PolarHBondContact O-N 3.23Å; T112-C116 PolarHBondContact O-SG 3.28Å
113	Q	43.3	Very low	41.9	Very low	116 Å²	116	87 Å²	87	54%	0.542	45%	0.448	S	S	.	.	H	α-helix	trans	-71	-39.5	171.3	-82.5	175.2	-3.3	0	0	111.9	T109 K110 C116 R117	T109-Q113 HydrophobicContact CG2-CG 4.2Å; T109-Q113 WeakPolarHBondContact O-CA 3.29Å; T109-Q113 WeakPolarHBondContact O-CB 3.39Å; T109-Q113 WeakPolarHBondContact O-CG 3.39Å; T109-Q113 PolarHBondContact O-N 2.98Å; K110-Q113 PolarHBondContact O-N 2.98Å; Q113-C116 CarbonylContact O-C 3.59Å; Q113-C116 PolarHBondContact O-N 3.22Å; Q113-R117 WeakPolarHBondContact O-CA 3.33Å; Q113-R117 WeakPolarHBondContact O-CB 3.46Å; Q113-R117 PolarHBondContact O-N 3.37Å
114	N	38.1	Very low	41.8	Very low	84 Å²	84	84.1 Å²	84.1	45%	0.449	45%	0.445	S	S	.	.	H	α-helix	trans	-64.3	-53.7	174.1	-74.4	-8.7	0	0	0	109.4	K110 C116 R117 D118	K110-N114 VanDerWaalsContact O-CB 3.28Å; K110-N114 WeakPolarHBondContact O-CB 3.21Å; K110-N114 PolarHBondContact O-N 2.84Å; N114-C116 VanDerWaalsContact C-N 3.28Å; N114-C116 PolarHBondContact O-N 3.31Å; N114-R117 PolarHBondContact O-N 2.83Å; N114-D118 WeakPolarHBondContact O-CB 2.96Å; N114-D118 PolarHBondContact O-N 3.18Å
115	L	38	Very low	42.3	Very low	88 Å²	88	87.3 Å²	87.3	46%	0.461	46%	0.461	S	S	.	.	H	α-helix	trans	-53.2	-43.9	172.4	-71.9	169.3	0	0	0	112.1	L111 L119	L111-L115 HydrophobicContact CD2-CD1 3.74Å; L111-L115 HydrophobicContact CG-CD1 4.4Å; L111-L115 WeakPolarHBondContact O-CB 3.47Å; L111-L115 VanDerWaalsContact O-CG 3.26Å; L111-L115 WeakPolarHBondContact O-CG 3.44Å; L111-L115 PolarHBondContact O-N 2.75Å; L115-L119 WeakPolarHBondContact O-CB 3.32Å; L115-L119 VanDerWaalsContact O-CD1 3.27Å; L115-L119 WeakPolarHBondContact O-CD1 3.39Å; L115-L119 WeakPolarHBondContact O-CG 3.02Å; L115-L119 PolarHBondContact O-N 2.82Å
116	C	34.3	Very low	42.3	Very low	72 Å²	72	86.8 Å²	86.8	49%	0.486	46%	0.458	S	S	.	.	H	α-helix	trans	-71.1	-27.2	178.4	-77.1	0	0	0	0	113.9	T112 Q113 N114 L119 T120	T112-C116 WeakPolarHBondContact O-CA 3.24Å; T112-C116 WeakPolarHBondContact O-CB 3.28Å; T112-C116 PolarHBondContact O-N 3.23Å; T112-C116 PolarHBondContact O-SG 3.28Å; Q113-C116 CarbonylContact O-C 3.59Å; Q113-C116 PolarHBondContact O-N 3.22Å; N114-C116 VanDerWaalsContact C-N 3.28Å; N114-C116 PolarHBondContact O-N 3.31Å; C116-L119 CarbonylContact O-C 3.59Å; C116-L119 WeakPolarHBondContact O-CB 3.33Å; C116-T120 WeakPolarHBondContact O-CG2 3.4Å; C116-T120 PolarHBondContact O-N 3.4Å
117	R	35.9	Very low	42.3	Very low	155 Å²	155	87.8 Å²	87.8	59%	0.585	46%	0.456	S	S	*	.	H	α-helix	trans	-83	-43	-179.5	174	179.2	164.6	-171.1	-6	110.6	Q113 N114 L119 T120	Q113-R117 WeakPolarHBondContact O-CA 3.33Å; Q113-R117 WeakPolarHBondContact O-CB 3.46Å; Q113-R117 PolarHBondContact O-N 3.37Å; N114-R117 PolarHBondContact O-N 2.83Å; R117-L119 PolarHBondContact O-N 2.92Å; R117-T120 WeakPolarHBondContact CA-OG1 3.35Å; R117-T120 PolarHBondContact O-N 3.03Å; R117-T120 PolarHBondContact O-OG1 3.48Å
118	D	36.5	Very low	42.5	Very low	103 Å²	103	85.4 Å²	85.4	55%	0.551	45%	0.45	S	S	*	.	H	α-helix	trans	-60.6	-37.2	166.2	-54.4	-20.6	0	0	0	108.9	N114 T120 E121 I122	N114-D118 WeakPolarHBondContact O-CB 2.96Å; N114-D118 PolarHBondContact O-N 3.18Å; D118-T120 VanDerWaalsContact C-N 3.34Å; D118-T120 PolarHBondContact O-N 2.78Å; D118-E121 PolarHBondContact O-N 3.24Å; D118-I122 WeakPolarHBondContact O-CG1 3.38Å
119	L	35.3	Very low	42.8	Very low	36 Å²	36	86.2 Å²	86.2	19%	0.188	45%	0.453	C	S	.	.	H	α-helix	trans	-67.7	-17.7	167.5	-81.5	163.2	0	0	0	115.2	L115 C116 R117 I122 Q127 L130	L115-L119 WeakPolarHBondContact O-CB 3.32Å; L115-L119 VanDerWaalsContact O-CD1 3.27Å; L115-L119 WeakPolarHBondContact O-CD1 3.39Å; L115-L119 WeakPolarHBondContact O-CG 3.02Å; L115-L119 PolarHBondContact O-N 2.82Å; C116-L119 CarbonylContact O-C 3.59Å; C116-L119 WeakPolarHBondContact O-CB 3.33Å; R117-L119 PolarHBondContact O-N 2.92Å; L119-I122 HydrophobicContact CD2-CB 4.38Å; L119-I122 HydrophobicContact CD2-CD1 4.01Å; L119-I122 HydrophobicContact CD2-CG2 4.12Å; L119-I122 HydrophobicContact CG-CD1 4.42Å; L119-I122 WeakPolarHBondContact O-CB 3.41Å; L119-I122 PolarHBondContact O-N 3.02Å; L119-Q127 HydrophobicContact CD2-CG 4.28Å; L119-Q127 VanDerWaalsContact O-CG 3.26Å; L119-Q127 WeakPolarHBondContact O-CG 3.33Å; L119-Q127 PolarHBondContact O-NE2 3.36Å; L119-L130 HydrophobicContact CD2-CB 4.24Å; L119-L130 HydrophobicContact CD2-CD1 3.57Å
120	T	40.4	Very low	42.7	Very low	100 Å²	100	86.4 Å²	86.4	61%	0.613	45%	0.452	S	S	*	.	H	α-helix	trans	-78.7	-21.8	176	43.9	0	0	0	0	113.6	C116 R117 D118	C116-T120 WeakPolarHBondContact O-CG2 3.4Å; C116-T120 PolarHBondContact O-N 3.4Å; R117-T120 WeakPolarHBondContact CA-OG1 3.35Å; R117-T120 PolarHBondContact O-N 3.03Å; R117-T120 PolarHBondContact O-OG1 3.48Å; D118-T120 VanDerWaalsContact C-N 3.34Å; D118-T120 PolarHBondContact O-N 2.78Å
121	E	43.3	Very low	42.9	Very low	113 Å²	113	88.7 Å²	88.7	53%	0.528	46%	0.462	S	S	.	.	H	α-helix	trans	-83.9	-20.2	168.7	-57.6	-165.9	173.9	0	0	111.9	D118 N265	D118-E121 PolarHBondContact O-N 3.24Å; E121-N265 PolarHBondContact OE1-ND2 2.99Å
122	I	39.8	Very low	43.5	Very low	49 Å²	49	88.7 Å²	88.7	25%	0.251	47%	0.466	S	S	.	.	S	Bend	trans	-71	136.5	177	-77.1	174.7	0	0	0	111.2	D118 L119 L126 Q127	D118-I122 WeakPolarHBondContact O-CG1 3.38Å; L119-I122 HydrophobicContact CD2-CB 4.38Å; L119-I122 HydrophobicContact CD2-CD1 4.01Å; L119-I122 HydrophobicContact CD2-CG2 4.12Å; L119-I122 HydrophobicContact CG-CD1 4.42Å; L119-I122 WeakPolarHBondContact O-CB 3.41Å; L119-I122 PolarHBondContact O-N 3.02Å; I122-L126 HydrophobicContact CD1-CD2 4.19Å; I122-L126 HydrophobicContact CG1-CD2 4.49Å; I122-L126 HydrophobicContact CG2-CB 3.58Å; I122-L126 HydrophobicContact CG2-CD2 3.51Å; I122-L126 HydrophobicContact CG2-CG 4.04Å; I122-Q127 HydrophobicContact CG2-CG 4.47Å
123	P	43.8	Very low	44	Very low	86 Å²	86	92.2 Å²	92.2	56%	0.558	48%	0.479	S	S	*	.			trans	-52.7	142.5	176.9	-28.4	35.1	0	0	0	113.3	E125 L126 Q127	P123-E125 PolarHBondContact O-N 3.4Å; P123-L126 WeakPolarHBondContact O-CA 2.98Å; P123-L126 PolarHBondContact O-N 2.88Å; P123-Q127 PolarHBondContact O-N 2.84Å
124	S	48.5	Very low	44	Very low	92 Å²	92	90.6 Å²	90.6	64%	0.643	47%	0.473	S	S	*	.	H	α-helix	trans	-56.8	-23.9	-179	55	0	0	0	0	114.1	S128	S124-S128 WeakPolarHBondContact O-CB 3.45Å; S124-S128 PolarHBondContact O-N 2.75Å
125	E	53.3	Low	44.5	Very low	150 Å²	150	89.9 Å²	89.9	70%	0.701	47%	0.469	S	S	*	.	H	α-helix	trans	-66.3	-37.9	171.2	-60.6	-175.5	150.5	0	0	112.9	P123 S128 F129	P123-E125 PolarHBondContact O-N 3.4Å; E125-S128 WeakPolarHBondContact O-CB 3.16Å; E125-F129 PolarHBondContact O-N 2.65Å
126	L	47.1	Very low	44.7	Very low	36 Å²	36	90.4 Å²	90.4	19%	0.188	47%	0.471	C	S	.	.	H	α-helix	trans	-88.1	-28.7	177.7	-163.7	98.3	0	0	0	111.8	I122 P123 S128 F129 L130 Y204	I122-L126 HydrophobicContact CD1-CD2 4.19Å; I122-L126 HydrophobicContact CG1-CD2 4.49Å; I122-L126 HydrophobicContact CG2-CB 3.58Å; I122-L126 HydrophobicContact CG2-CD2 3.51Å; I122-L126 HydrophobicContact CG2-CG 4.04Å; P123-L126 WeakPolarHBondContact O-CA 2.98Å; P123-L126 PolarHBondContact O-N 2.88Å; L126-S128 VanDerWaalsContact C-N 3.27Å; L126-S128 PolarHBondContact O-N 3.3Å; L126-F129 HydrophobicContact CD1-CD1 4.3Å; L126-F129 PolarHBondContact O-N 3.08Å; L126-L130 HydrophobicContact CD2-CD1 3.91Å; L126-L130 HydrophobicContact CG-CD1 4.13Å; L126-L130 WeakPolarHBondContact O-CB 3.29Å; L126-L130 PolarHBondContact O-N 3.49Å; L126-Y204 HydrophobicContact CD1-CD1 4.48Å; L126-Y204 HydrophobicContact CD1-CD2 4.07Å; L126-Y204 HydrophobicContact CD1-CE1 3.9Å; L126-Y204 HydrophobicContact CD1-CE2 3.41Å; L126-Y204 VanDerWaalsContact CD1-CE2 3.41Å
127	Q	45.4	Very low	45.2	Very low	75 Å²	75	91.1 Å²	91.1	35%	0.35	47%	0.474	S	S	.	.	H	α-helix	trans	-56.1	-45.7	160.3	-74.4	-168.7	-4.2	0	0	110.6	L119 I122 P123 L130 K131	L119-Q127 HydrophobicContact CD2-CG 4.28Å; L119-Q127 VanDerWaalsContact O-CG 3.26Å; L119-Q127 WeakPolarHBondContact O-CG 3.33Å; L119-Q127 PolarHBondContact O-NE2 3.36Å; I122-Q127 HydrophobicContact CG2-CG 4.47Å; P123-Q127 PolarHBondContact O-N 2.84Å; Q127-L130 PolarHBondContact O-N 3.08Å; Q127-K131 WeakPolarHBondContact O-CB 3.35Å; Q127-K131 PolarHBondContact O-N 3.07Å
128	S	52.1	Low	45.9	Very low	68 Å²	68	90.4 Å²	90.4	48%	0.476	48%	0.475	S	S	.	.	H	α-helix	trans	-62.9	-43.4	176.3	-180	0	0	0	0	111.7	S124 E125 L126 K131 T132	S124-S128 WeakPolarHBondContact O-CB 3.45Å; S124-S128 PolarHBondContact O-N 2.75Å; E125-S128 WeakPolarHBondContact O-CB 3.16Å; L126-S128 VanDerWaalsContact C-N 3.27Å; L126-S128 PolarHBondContact O-N 3.3Å; S128-K131 PolarHBondContact O-N 3.35Å; S128-T132 WeakPolarHBondContact O-CB 3.39Å; S128-T132 VanDerWaalsContact O-CG2 3.28Å; S128-T132 WeakPolarHBondContact O-CG2 3.45Å; S128-T132 PolarHBondContact O-N 2.68Å; S128-T132 PolarHBondContact O-OG1 3.42Å
129	F	48.5	Very low	46.3	Very low	69 Å²	69	88.5 Å²	88.5	30%	0.303	47%	0.465	S	S	.	.	H	α-helix	trans	-60.5	-49.8	175.4	-176.4	-104.4	0	0	0	112.2	E125 L126 T132 K133 Y204	E125-F129 PolarHBondContact O-N 2.65Å; L126-F129 HydrophobicContact CD1-CD1 4.3Å; L126-F129 PolarHBondContact O-N 3.08Å; F129-T132 PolarHBondContact O-N 2.8Å; F129-T132 VanDerWaalsContact O-N 3.16Å; F129-T132 PolarHBondContact O-OG1 2.77Å; F129-K133 HydrophobicContact CE1-CD 4.23Å; F129-K133 HydrophobicContact CE2-CD 4.22Å; F129-K133 HydrophobicContact CZ-CD 3.79Å; F129-K133 HydrophobicContact CZ-CG 4.46Å; F129-K133 PolarHBondContact O-N 2.72Å; F129-Y204 HydrophobicContact CE1-CD2 4.15Å; F129-Y204 HydrophobicContact CZ-CD2 4.27Å
130	L	42.9	Very low	46.7	Very low	58 Å²	58	88.8 Å²	88.8	30%	0.304	46%	0.464	S	S	.	.	H	α-helix	trans	-67.8	-41.4	179.3	-73.2	162.1	0	0	0	110.9	L119 L126 Q127 T132 K133 L134	L119-L130 HydrophobicContact CD2-CB 4.24Å; L119-L130 HydrophobicContact CD2-CD1 3.57Å; L126-L130 HydrophobicContact CD2-CD1 3.91Å; L126-L130 HydrophobicContact CG-CD1 4.13Å; L126-L130 WeakPolarHBondContact O-CB 3.29Å; L126-L130 PolarHBondContact O-N 3.49Å; Q127-L130 PolarHBondContact O-N 3.08Å; L130-T132 PolarHBondContact O-N 3.4Å; L130-T132 VanDerWaalsContact O-N 3.15Å; L130-K133 PolarHBondContact O-N 2.79Å; L130-L134 VanDerWaalsContact O-CA 3.24Å; L130-L134 WeakPolarHBondContact O-CA 3.43Å; L130-L134 WeakPolarHBondContact O-CB 3.09Å; L130-L134 PolarHBondContact O-N 3.37Å
131	K	52.3	Low	47	Very low	168 Å²	168	90.1 Å²	90.1	73%	0.73	46%	0.463	S	S	*	.	H	α-helix	trans	-68.8	-7.8	173.1	-165.6	167.5	-176.7	171.7	0	114.6	Q127 S128	Q127-K131 WeakPolarHBondContact O-CB 3.35Å; Q127-K131 PolarHBondContact O-N 3.07Å; S128-K131 PolarHBondContact O-N 3.35Å
132	T	54.6	Low	47	Very low	106 Å²	106	90.6 Å²	90.6	65%	0.65	46%	0.461	S	S	*	.	H	α-helix	trans	-113.5	-17.4	175.9	53.8	0	0	0	0	114.9	S128 F129 L130	S128-T132 WeakPolarHBondContact O-CB 3.39Å; S128-T132 VanDerWaalsContact O-CG2 3.28Å; S128-T132 WeakPolarHBondContact O-CG2 3.45Å; S128-T132 PolarHBondContact O-N 2.68Å; S128-T132 PolarHBondContact O-OG1 3.42Å; F129-T132 PolarHBondContact O-N 2.8Å; F129-T132 VanDerWaalsContact O-N 3.16Å; F129-T132 PolarHBondContact O-OG1 2.77Å; L130-T132 PolarHBondContact O-N 3.4Å; L130-T132 VanDerWaalsContact O-N 3.15Å
133	K	51.4	Low	46.9	Very low	113 Å²	113	92.3 Å²	92.3	49%	0.491	47%	0.47	S	S	.	.	H	α-helix	trans	-97.7	-43.5	166.7	-87.7	-156.3	173	-169.4	0	112.8	F129 L130 D135 L200	F129-K133 HydrophobicContact CE1-CD 4.23Å; F129-K133 HydrophobicContact CE2-CD 4.22Å; F129-K133 HydrophobicContact CZ-CD 3.79Å; F129-K133 HydrophobicContact CZ-CG 4.46Å; F129-K133 PolarHBondContact O-N 2.72Å; L130-K133 PolarHBondContact O-N 2.79Å; K133-D135 PolarHBondContact O-N 3.1Å; K133-L200 HydrophobicContact CD-CD2 4.18Å
134	L	43.2	Very low	47	Very low	82 Å²	82	91.6 Å²	91.6	43%	0.429	46%	0.459	S	S	.	.	S	Bend	trans	-79.6	74.7	172.9	-143.7	79.2	0	0	0	108.4	L130 I136 L139	L130-L134 VanDerWaalsContact O-CA 3.24Å; L130-L134 WeakPolarHBondContact O-CA 3.43Å; L130-L134 WeakPolarHBondContact O-CB 3.09Å; L130-L134 PolarHBondContact O-N 3.37Å; L134-I136 PolarHBondContact O-N 2.72Å; L134-L139 HydrophobicContact CD2-CD2 4.14Å; L134-L139 HydrophobicContact CG-CD2 4.42Å
135	D	47.9	Very low	47	Very low	68 Å²	68	91.8 Å²	91.8	36%	0.364	45%	0.45	S	S	.	.			trans	-63.9	98.9	172.4	-166.5	-12.5	0	0	0	107.7	K133 T137 K138 L139	K133-D135 PolarHBondContact O-N 3.1Å; D135-T137 PolarHBondContact O-N 2.75Å; D135-T137 VanDerWaalsContact O-N 3.11Å; D135-K138 HydrophobicContact CB-CB 4.14Å; D135-K138 HydrophobicContact CB-CD 4.2Å; D135-K138 HydrophobicContact CB-CG 3.99Å; D135-K138 WeakPolarHBondContact O-CA 3.18Å; D135-K138 WeakPolarHBondContact O-CB 3.28Å; D135-K138 PolarHBondContact O-N 3.06Å; D135-K138 IonicContact OD2-NZ 2.65Å; D135-K138 PolarHBondContact OD2-NZ 3.31Å; D135-L139 PolarHBondContact O-N 2.83Å
136	I	43.4	Very low	46.4	Very low	99 Å²	99	87 Å²	87	51%	0.508	43%	0.433	S	S	.	.	H	α-helix	trans	-55.4	-37.2	-167.8	-62	175.5	0	0	0	110.5	L134 K138 L139 F140	L134-I136 PolarHBondContact O-N 2.72Å; I136-K138 VanDerWaalsContact C-N 3.34Å; I136-K138 PolarHBondContact O-N 2.91Å; I136-L139 PolarHBondContact O-N 3.45Å; I136-F140 WeakPolarHBondContact O-CB 3.37Å; I136-F140 PolarHBondContact O-N 3.33Å
137	T	44	Very low	45.9	Very low	87 Å²	87	90.8 Å²	90.8	53%	0.534	45%	0.446	S	S	.	.	H	α-helix	trans	-60.9	-39.7	174.7	-46.1	0	0	0	0	112.2	D135 F140 H141	D135-T137 PolarHBondContact O-N 2.75Å; D135-T137 VanDerWaalsContact O-N 3.11Å; T137-F140 PolarHBondContact O-N 2.88Å; T137-H141 VanDerWaalsContact O-CB 3.25Å; T137-H141 WeakPolarHBondContact O-CB 3.26Å; T137-H141 PolarHBondContact O-N 3.48Å
138	K	50.7	Low	45.8	Very low	140 Å²	140	91.2 Å²	91.2	61%	0.609	45%	0.451	S	S	*	.	H	α-helix	trans	-71.6	-37	174.8	-65.1	-166.8	178.8	86.4	0	112.5	D135 I136 F140 H141 Y142	D135-K138 HydrophobicContact CB-CB 4.14Å; D135-K138 HydrophobicContact CB-CD 4.2Å; D135-K138 HydrophobicContact CB-CG 3.99Å; D135-K138 WeakPolarHBondContact O-CA 3.18Å; D135-K138 WeakPolarHBondContact O-CB 3.28Å; D135-K138 PolarHBondContact O-N 3.06Å; D135-K138 IonicContact OD2-NZ 2.65Å; D135-K138 PolarHBondContact OD2-NZ 3.31Å; I136-K138 VanDerWaalsContact C-N 3.34Å; I136-K138 PolarHBondContact O-N 2.91Å; K138-F140 VanDerWaalsContact C-N 3.33Å; K138-H141 PolarHBondContact O-N 3.45Å; K138-Y142 VanDerWaalsContact O-CB 3.23Å; K138-Y142 WeakPolarHBondContact O-CB 3.16Å; K138-Y142 PolarHBondContact O-N 3.18Å
139	L	45.2	Very low	45.4	Very low	64 Å²	64	94.2 Å²	94.2	34%	0.335	46%	0.455	S	S	.	.	H	α-helix	trans	-62.3	-44.6	173.4	-172.2	70.5	0	0	0	110.3	L134 D135 I136 Y142 L143	L134-L139 HydrophobicContact CD2-CD2 4.14Å; L134-L139 HydrophobicContact CG-CD2 4.42Å; D135-L139 PolarHBondContact O-N 2.83Å; I136-L139 PolarHBondContact O-N 3.45Å; L139-Y142 PolarHBondContact O-N 3.01Å; L139-L143 HydrophobicContact CG-CD1 4.11Å; L139-L143 VanDerWaalsContact O-CB 3.3Å; L139-L143 WeakPolarHBondContact O-CB 3.4Å; L139-L143 WeakPolarHBondContact O-CG 3.31Å; L139-L143 PolarHBondContact O-N 2.84Å
140	F	42.7	Very low	45.1	Very low	42 Å²	42	94.5 Å²	94.5	18%	0.184	46%	0.46	C	S	.	.	H	α-helix	trans	-64.4	-42.8	176.5	-152.7	-85.7	0	0	0	111.9	Y100 F108 I136 T137 K138 L143 Q144	Y100-F140 HydrophobicContact CE2-CE1 4.49Å; Y100-F140 HydrophobicContact CE2-CZ 4.16Å; F108-F140 HydrophobicContact CE1-CD2 4.38Å; F108-F140 HydrophobicContact CE1-CE2 4.1Å; F108-F140 AromaticContact CE2-CD2 3.97Å; F108-F140 HydrophobicContact CE2-CD2 3.97Å; F108-F140 HydrophobicContact CE2-CE2 4.12Å; F108-F140 AromaticContact CZ-CD2 3.73Å; F108-F140 HydrophobicContact CZ-CD2 3.73Å; F108-F140 AromaticContact CZ-CE2 3.87Å; F108-F140 HydrophobicContact CZ-CE2 3.87Å; I136-F140 WeakPolarHBondContact O-CB 3.37Å; I136-F140 PolarHBondContact O-N 3.33Å; T137-F140 PolarHBondContact O-N 2.88Å; K138-F140 VanDerWaalsContact C-N 3.33Å; F140-L143 PolarHBondContact O-N 2.79Å; F140-Q144 VanDerWaalsContact O-CB 3.25Å; F140-Q144 WeakPolarHBondContact O-CB 3.46Å; F140-Q144 PolarHBondContact O-N 3.37Å
141	H	48.1	Very low	44.8	Very low	127 Å²	127	94 Å²	94	59%	0.588	46%	0.459	S	S	*	.	H	α-helix	trans	-70.4	-33.9	179.2	-151.4	-53.5	0	0	0	112.7	T137 K138 E145	T137-H141 VanDerWaalsContact O-CB 3.25Å; T137-H141 WeakPolarHBondContact O-CB 3.26Å; T137-H141 PolarHBondContact O-N 3.48Å; K138-H141 PolarHBondContact O-N 3.45Å; H141-E145 WeakPolarHBondContact O-CB 3.36Å; H141-E145 PolarHBondContact O-N 3.47Å
142	Y	41.9	Very low	44.2	Very low	123 Å²	123	90.1 Å²	90.1	48%	0.482	45%	0.447	S	S	.	.	H	α-helix	trans	-71.5	-43.1	172.9	-178.6	-97.7	0	0	0	111.5	K138 L139 Q144 E145 S146 N193	K138-Y142 VanDerWaalsContact O-CB 3.23Å; K138-Y142 WeakPolarHBondContact O-CB 3.16Å; K138-Y142 PolarHBondContact O-N 3.18Å; L139-Y142 PolarHBondContact O-N 3.01Å; Y142-Q144 VanDerWaalsContact C-N 3.32Å; Y142-Q144 PolarHBondContact O-N 2.77Å; Y142-E145 PolarHBondContact O-N 2.98Å; Y142-S146 VanDerWaalsContact O-CB 3.29Å; Y142-S146 WeakPolarHBondContact O-CB 3.26Å; Y142-S146 PolarHBondContact O-N 3.47Å; Y142-N193 PolarHBondContact OH-ND2 3.07Å; Y142-N193 VanDerWaalsContact OH-ND2 3.11Å; Y142-N193 PolarHBondContact OH-OD1 3.16Å
143	L	39.2	Very low	43.6	Very low	86 Å²	86	87.6 Å²	87.6	45%	0.45	43%	0.433	S	S	.	.	H	α-helix	trans	-59.8	-43.1	171.8	-75.4	168.7	0	0	0	111	L139 F140 S146 Y147	L139-L143 HydrophobicContact CG-CD1 4.11Å; L139-L143 VanDerWaalsContact O-CB 3.3Å; L139-L143 WeakPolarHBondContact O-CB 3.4Å; L139-L143 WeakPolarHBondContact O-CG 3.31Å; L139-L143 PolarHBondContact O-N 2.84Å; F140-L143 PolarHBondContact O-N 2.79Å; L143-S146 PolarHBondContact O-N 2.81Å; L143-Y147 VanDerWaalsContact O-CB 3.25Å; L143-Y147 WeakPolarHBondContact O-CB 3.41Å; L143-Y147 PolarHBondContact O-N 2.91Å
144	Q	44.6	Very low	42.6	Very low	70 Å²	70	86.9 Å²	86.9	33%	0.327	43%	0.434	S	S	.	.	H	α-helix	trans	-67.8	-43.4	177.8	-173	167	-19.5	0	0	112.1	F140 Y142 S146 Y147 D148	F140-Q144 VanDerWaalsContact O-CB 3.25Å; F140-Q144 WeakPolarHBondContact O-CB 3.46Å; F140-Q144 PolarHBondContact O-N 3.37Å; Y142-Q144 VanDerWaalsContact C-N 3.32Å; Y142-Q144 PolarHBondContact O-N 2.77Å; Q144-S146 VanDerWaalsContact C-N 3.33Å; Q144-S146 PolarHBondContact O-N 3.14Å; Q144-Y147 PolarHBondContact O-N 3.29Å; Q144-D148 WeakPolarHBondContact O-CB 3.34Å; Q144-D148 PolarHBondContact O-N 3.43Å
145	E	49.5	Very low	42.2	Very low	96 Å²	96	90 Å²	90	45%	0.449	44%	0.44	S	S	.	.	H	α-helix	trans	-68	-31.5	176.6	-161.6	-169	147.9	0	0	112.7	H141 Y142 K149	H141-E145 WeakPolarHBondContact O-CB 3.36Å; H141-E145 PolarHBondContact O-N 3.47Å; Y142-E145 PolarHBondContact O-N 2.98Å; E145-K149 WeakPolarHBondContact O-CD 3.4Å; E145-K149 WeakPolarHBondContact O-CG 3.42Å; E145-K149 PolarHBondContact O-N 3.45Å; E145-K149 IonicContact OE1-NZ 2.59Å; E145-K149 PolarHBondContact OE1-NZ 2.85Å
146	S	40	Very low	42	Very low	50 Å²	50	94.5 Å²	94.5	35%	0.35	46%	0.456	S	S	.	.	H	α-helix	trans	-67.2	-48.5	169.6	-166.9	0	0	0	0	110.8	Y142 L143 Q144 D148 K149 D150	Y142-S146 VanDerWaalsContact O-CB 3.29Å; Y142-S146 WeakPolarHBondContact O-CB 3.26Å; Y142-S146 PolarHBondContact O-N 3.47Å; L143-S146 PolarHBondContact O-N 2.81Å; Q144-S146 VanDerWaalsContact C-N 3.33Å; Q144-S146 PolarHBondContact O-N 3.14Å; S146-D148 PolarHBondContact O-N 3.45Å; S146-K149 PolarHBondContact O-N 3.05Å; S146-D150 PolarHBondContact O-N 3.2Å
147	Y	36.1	Very low	41.9	Very low	115 Å²	115	95.3 Å²	95.3	45%	0.451	46%	0.456	S	S	.	.	H	α-helix	trans	-70.1	-31.9	-176.9	-149.1	-109.8	0	0	0	111.9	K104 L143 Q144 K149 V151	K104-Y147 PolarHBondContact NZ-OH 2.84Å; K104-Y147 VanDerWaalsContact NZ-OH 3.07Å; L143-Y147 VanDerWaalsContact O-CB 3.25Å; L143-Y147 WeakPolarHBondContact O-CB 3.41Å; L143-Y147 PolarHBondContact O-N 2.91Å; Q144-Y147 PolarHBondContact O-N 3.29Å; Y147-K149 VanDerWaalsContact C-N 3.35Å; Y147-V151 HydrophobicContact CD1-CG2 3.44Å; Y147-V151 VanDerWaalsContact CD1-CG2 3.44Å; Y147-V151 HydrophobicContact CD2-CG2 4.49Å; Y147-V151 HydrophobicContact CE1-CG2 3.42Å; Y147-V151 VanDerWaalsContact CE1-CG2 3.42Å; Y147-V151 HydrophobicContact CE2-CG2 4.47Å; Y147-V151 HydrophobicContact CG-CG2 4.02Å; Y147-V151 WeakPolarHBondContact O-CA 3.4Å; Y147-V151 WeakPolarHBondContact O-CB 3.22Å; Y147-V151 WeakPolarHBondContact O-CG2 3.46Å; Y147-V151 PolarHBondContact O-N 2.97Å
148	D	43.8	Very low	41.3	Very low	85 Å²	85	96 Å²	96	46%	0.455	46%	0.456	S	S	.	.	H	α-helix	trans	-67	-34.5	171.5	-88.5	-43.1	0	0	0	111.9	Q144 S146 N152	Q144-D148 WeakPolarHBondContact O-CB 3.34Å; Q144-D148 PolarHBondContact O-N 3.43Å; S146-D148 PolarHBondContact O-N 3.45Å; D148-N152 VanDerWaalsContact O-CB 3.25Å; D148-N152 WeakPolarHBondContact O-CB 3.2Å; D148-N152 PolarHBondContact O-N 3.38Å; D148-N152 PolarHBondContact O-ND2 2.95Å
149	K	44.1	Very low	40.5	Very low	130 Å²	130	95.1 Å²	95.1	57%	0.565	45%	0.453	S	S	*	.	H	α-helix	trans	-70.4	-48	174.2	-71.4	167.5	-168.6	165.1	0	111.1	E145 S146 Y147 S153	E145-K149 WeakPolarHBondContact O-CD 3.4Å; E145-K149 WeakPolarHBondContact O-CG 3.42Å; E145-K149 PolarHBondContact O-N 3.45Å; E145-K149 IonicContact OE1-NZ 2.59Å; E145-K149 PolarHBondContact OE1-NZ 2.85Å; S146-K149 PolarHBondContact O-N 3.05Å; Y147-K149 VanDerWaalsContact C-N 3.35Å; K149-S153 WeakPolarHBondContact O-CB 3.27Å; K149-S153 PolarHBondContact O-N 3.43Å
150	D	42.3	Very low	40.4	Very low	76 Å²	76	96.3 Å²	96.3	41%	0.406	46%	0.463	S	S	.	.	H	α-helix	trans	-71.3	-36.2	179.8	-77.1	-40.6	0	0	0	113.3	S146 S153 L154	S146-D150 PolarHBondContact O-N 3.2Å; D150-S153 WeakPolarHBondContact O-CB 3.49Å; D150-S153 PolarHBondContact O-N 2.87Å; D150-L154 WeakPolarHBondContact O-CB 3.08Å; D150-L154 PolarHBondContact O-N 3.21Å
151	V	36.6	Very low	40.1	Very low	48 Å²	48	99.9 Å²	99.9	29%	0.291	48%	0.484	S	S	.	.	H	α-helix	trans	-73.9	-32	175.6	172.5	0	0	0	0	111.8	Y147 R155	Y147-V151 HydrophobicContact CD1-CG2 3.44Å; Y147-V151 VanDerWaalsContact CD1-CG2 3.44Å; Y147-V151 HydrophobicContact CD2-CG2 4.49Å; Y147-V151 HydrophobicContact CE1-CG2 3.42Å; Y147-V151 VanDerWaalsContact CE1-CG2 3.42Å; Y147-V151 HydrophobicContact CE2-CG2 4.47Å; Y147-V151 HydrophobicContact CG-CG2 4.02Å; Y147-V151 WeakPolarHBondContact O-CA 3.4Å; Y147-V151 WeakPolarHBondContact O-CB 3.22Å; Y147-V151 WeakPolarHBondContact O-CG2 3.46Å; Y147-V151 PolarHBondContact O-N 2.97Å; V151-R155 VanDerWaalsContact O-CB 3.22Å; V151-R155 WeakPolarHBondContact O-CB 3.44Å; V151-R155 PolarHBondContact O-N 2.92Å
152	N	38.4	Very low	39.6	Very low	86 Å²	86	100.2 Å²	100.2	46%	0.46	49%	0.485	S	S	.	.	H	α-helix	trans	-73.5	-29.3	170.2	-75.6	-65.2	0	0	0	112.1	D148 K156	D148-N152 VanDerWaalsContact O-CB 3.25Å; D148-N152 WeakPolarHBondContact O-CB 3.2Å; D148-N152 PolarHBondContact O-N 3.38Å; D148-N152 PolarHBondContact O-ND2 2.95Å; N152-K156 WeakPolarHBondContact O-CB 3.1Å; N152-K156 WeakPolarHBondContact O-CG 3.26Å; N152-K156 PolarHBondContact O-N 3.43Å
153	S	41.9	Very low	39.4	Very low	52 Å²	52	102.4 Å²	102.4	36%	0.364	50%	0.5	S	S	.	.	H	α-helix	trans	-67.3	-47.3	169.1	-167.9	0	0	0	0	111.8	K149 D150 K156 K157	K149-S153 WeakPolarHBondContact O-CB 3.27Å; K149-S153 PolarHBondContact O-N 3.43Å; D150-S153 WeakPolarHBondContact O-CB 3.49Å; D150-S153 PolarHBondContact O-N 2.87Å; S153-K156 PolarHBondContact O-N 3.5Å; S153-K157 PolarHBondContact O-N 3.42Å
154	L	32.3	Very low	39.2	Very low	99 Å²	99	104.1 Å²	104.1	52%	0.518	51%	0.51	S	S	.	.	H	α-helix	trans	-64.3	-43.8	174.3	-106.1	71.5	0	0	0	111.7	D150 K156 K157 L158	D150-L154 WeakPolarHBondContact O-CB 3.08Å; D150-L154 PolarHBondContact O-N 3.21Å; L154-K156 VanDerWaalsContact C-N 3.3Å; L154-K156 PolarHBondContact O-N 2.87Å; L154-K157 CarbonylContact O-C 3.21Å; L154-K157 PolarHBondContact O-N 2.91Å; L154-K157 VanDerWaalsContact O-N 3.08Å; L154-L158 HydrophobicContact CB-CD1 4.31Å; L154-L158 WeakPolarHBondContact O-CB 3.25Å; L154-L158 WeakPolarHBondContact O-CD1 3.1Å; L154-L158 PolarHBondContact O-N 3.31Å
155	R	33.4	Very low	38.4	Very low	148 Å²	148	109 Å²	109	56%	0.558	53%	0.533	S	S	*	.	H	α-helix	trans	-58	-43.7	174.2	-95.6	-174.5	158.1	179.5	-5.1	111	V151 K157 L158 F159	V151-R155 VanDerWaalsContact O-CB 3.22Å; V151-R155 WeakPolarHBondContact O-CB 3.44Å; V151-R155 PolarHBondContact O-N 2.92Å; R155-K157 PolarHBondContact O-N 2.87Å; R155-L158 PolarHBondContact O-N 3.03Å; R155-F159 HydrophobicContact CB-CD2 4.24Å; R155-F159 HydrophobicContact CG-CD2 4.37Å; R155-F159 HydrophobicContact CG-CE2 4.19Å; R155-F159 WeakPolarHBondContact O-CB 3.44Å; R155-F159 VanDerWaalsContact O-CD2 3.32Å; R155-F159 WeakPolarHBondContact O-CD2 3.36Å; R155-F159 PolarHBondContact O-N 2.75Å
156	K	44.7	Very low	37.5	Very low	161 Å²	161	112.7 Å²	112.7	70%	0.7	55%	0.549	S	S	*	.	H	α-helix	trans	-60	-45	173.5	-79.1	-176.9	175.2	-175.8	0	111.6	N152 S153 L154 T160	N152-K156 WeakPolarHBondContact O-CB 3.1Å; N152-K156 WeakPolarHBondContact O-CG 3.26Å; N152-K156 PolarHBondContact O-N 3.43Å; S153-K156 PolarHBondContact O-N 3.5Å; L154-K156 VanDerWaalsContact C-N 3.3Å; L154-K156 PolarHBondContact O-N 2.87Å; K156-T160 WeakPolarHBondContact O-CG2 3.25Å; K156-T160 PolarHBondContact O-N 2.75Å; K156-T160 VanDerWaalsContact O-N 3.08Å; K156-T160 PolarHBondContact O-OG1 2.96Å
157	K	40.5	Very low	37.1	Very low	116 Å²	116	119.4 Å²	119.4	50%	0.504	58%	0.575	S	S	.	*	H	α-helix	trans	-68.2	-29.1	177.5	-70.5	-177.5	177	-175.4	0	114.6	S153 L154 R155 T160	S153-K157 PolarHBondContact O-N 3.42Å; L154-K157 CarbonylContact O-C 3.21Å; L154-K157 PolarHBondContact O-N 2.91Å; L154-K157 VanDerWaalsContact O-N 3.08Å; R155-K157 PolarHBondContact O-N 2.87Å; K157-T160 WeakPolarHBondContact CA-OG1 3.25Å; K157-T160 PolarHBondContact O-OG1 2.97Å
158	L	31.2	Very low	36.7	Very low	102 Å²	102	121.6 Å²	121.6	53%	0.534	59%	0.589	S	S	.	*	H	α-helix	trans	-81	-47.4	176.4	-88.9	136.1	0	0	0	111.8	L154 R155 T160 N161 E162	L154-L158 HydrophobicContact CB-CD1 4.31Å; L154-L158 WeakPolarHBondContact O-CB 3.25Å; L154-L158 WeakPolarHBondContact O-CD1 3.1Å; L154-L158 PolarHBondContact O-N 3.31Å; R155-L158 PolarHBondContact O-N 3.03Å; L158-T160 PolarHBondContact O-N 3.34Å; L158-N161 WeakPolarHBondContact O-CA 3.3Å; L158-N161 WeakPolarHBondContact O-CB 3.29Å; L158-N161 PolarHBondContact O-N 2.74Å; L158-E162 PolarHBondContact O-N 2.77Å; L158-E162 VanDerWaalsContact O-N 3.1Å
159	F	35	Very low	35.9	Very low	121 Å²	121	124.7 Å²	124.7	53%	0.531	60%	0.6	S	S	.	*	H	α-helix	trans	-65.5	-24.8	175.8	-82	-67	0	0	0	113.1	R155 N161	R155-F159 HydrophobicContact CB-CD2 4.24Å; R155-F159 HydrophobicContact CG-CD2 4.37Å; R155-F159 HydrophobicContact CG-CE2 4.19Å; R155-F159 WeakPolarHBondContact O-CB 3.44Å; R155-F159 VanDerWaalsContact O-CD2 3.32Å; R155-F159 WeakPolarHBondContact O-CD2 3.36Å; R155-F159 PolarHBondContact O-N 2.75Å; F159-N161 VanDerWaalsContact C-N 3.31Å
160	T	41.4	Very low	35.3	Very low	89 Å²	89	124.9 Å²	124.9	55%	0.546	60%	0.603	S	S	.	*	H	α-helix	trans	-73.4	-19	168.5	48.4	0	0	0	0	114	K156 K157 L158 N164	K156-T160 WeakPolarHBondContact O-CG2 3.25Å; K156-T160 PolarHBondContact O-N 2.75Å; K156-T160 VanDerWaalsContact O-N 3.08Å; K156-T160 PolarHBondContact O-OG1 2.96Å; K157-T160 WeakPolarHBondContact CA-OG1 3.25Å; K157-T160 PolarHBondContact O-OG1 2.97Å; L158-T160 PolarHBondContact O-N 3.34Å; T160-N164 PolarHBondContact O-ND2 3.07Å
161	N	36.1	Very low	34.7	Very low	118 Å²	118	130.2 Å²	130.2	63%	0.631	62%	0.619	S	S	*	*	H	α-helix	trans	-87.4	-34.4	174.1	-84.4	-19.9	0	0	0	112.4	L158 F159 Q163 N164	L158-N161 WeakPolarHBondContact O-CA 3.3Å; L158-N161 WeakPolarHBondContact O-CB 3.29Å; L158-N161 PolarHBondContact O-N 2.74Å; F159-N161 VanDerWaalsContact C-N 3.31Å; N161-Q163 VanDerWaalsContact C-N 3.26Å; N161-Q163 PolarHBondContact O-N 2.94Å; N161-N164 PolarHBondContact O-N 2.76Å
162	E	37.7	Very low	34.3	Very low	133 Å²	133	137.8 Å²	137.8	62%	0.621	64%	0.643	S	S	*	*	H	α-helix	trans	-68	-18.2	-178.6	-72.2	-170.8	121.6	0	0	114.7	L158 N164	L158-E162 PolarHBondContact O-N 2.77Å; L158-E162 VanDerWaalsContact O-N 3.1Å; E162-N164 VanDerWaalsContact C-N 3.33Å
163	Q	39	Very low	33.9	Very low	169 Å²	169	141 Å²	141	79%	0.79	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-75.3	-17.1	174	-70.2	-156.6	-31.8	0	0	114.3	N161 H165	N161-Q163 VanDerWaalsContact C-N 3.26Å; N161-Q163 PolarHBondContact O-N 2.94Å; Q163-H165 PolarHBondContact O-N 2.79Å
164	N	33.9	Very low	33.4	Very low	123 Å²	123	145.7 Å²	145.7	66%	0.658	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-95.4	22.7	-171	-73.5	-45.6	0	0	0	114.7	T160 N161 E162	T160-N164 PolarHBondContact O-ND2 3.07Å; N161-N164 PolarHBondContact O-N 2.76Å; E162-N164 VanDerWaalsContact C-N 3.33Å
165	H	29.3	Very low	33.5	Very low	173 Å²	173	147.8 Å²	147.8	80%	0.801	68%	0.682	S	S	*	*	G	3₁₀ helix	trans	-137.9	26	-178.2	-111	50.7	0	0	0	116.3	Q163	Q163-H165 PolarHBondContact O-N 2.79Å
166	H	29.2	Very low	33.2	Very low	172 Å²	172	151.5 Å²	151.5	80%	0.796	70%	0.698	S	S	*	*	S	Bend	trans	-132.7	141.5	163.5	-79.9	84.6	0	0	0	110.9
167	Q	32.3	Very low	32.9	Very low	191 Å²	191	148.5 Å²	148.5	89%	0.893	70%	0.695	S	S	*	*			trans	66.1	94.9	-171	-53	-172.2	11.4	0	0	113
168	H	27.9	Very low	32.5	Very low	161 Å²	161	150.4 Å²	150.4	75%	0.745	71%	0.705	S	S	*	*				74.2	98.9	60.6	-163.4	74.2	0	0	0	113.3
169	H	27.5	Very low	32.5	Very low	150 Å²	150	151.6 Å²	151.6	69%	0.694	71%	0.712	S	S	*	*			trans	76.5	128	145.1	-88.5	-17.4	0	0	0	122.3
170	Q	30.8	Very low	32.5	Very low	134 Å²	134	152.9 Å²	152.9	63%	0.626	72%	0.723	S	S	*	*			trans	96.2	124.4	142.4	-60.4	-89.3	0.7	0	0	119.4
171	Y	29	Very low	32.3	Very low	189 Å²	189	155.6 Å²	155.6	74%	0.741	74%	0.735	S	S	*	*			trans	63.4	141.9	171.8	-50.2	-72.6	0	0	0	116.4
172	R	29.5	Very low	32.1	Very low	207 Å²	207	153.3 Å²	153.3	78%	0.781	74%	0.739	S	S	*	*			cis	-156.7	154	-7.9	-131.3	165.4	-168.1	177.9	6.1	109.4
173	H	29.6	Very low	32.1	Very low	153 Å²	153	154.5 Å²	154.5	71%	0.708	75%	0.749	S	S	*	*			trans	1	144.6	142.1	-65.4	-108.6	0	0	0	118.3
174	H	31	Very low	31.8	Very low	151 Å²	151	152.7 Å²	152.7	70%	0.699	75%	0.745	S	S	*	*			cis	-164.7	162.8	23.8	-125.1	-64.3	0	0	0	111.9
175	N	34.1	Very low	31.8	Very low	142 Å²	142	150.2 Å²	150.2	76%	0.759	75%	0.749	S	S	*	*			trans	81.2	109.9	152.5	-58.8	-13.7	0	0	0	122.8
176	Y	27.6	Very low	32	Very low	227 Å²	227	149.9 Å²	149.9	89%	0.89	75%	0.748	S	S	*	*			trans	-52	-179.9	145.8	-93	-68.2	0	0	0	115.1
177	P	38.4	Very low	32	Very low	98 Å²	98	144 Å²	144	64%	0.636	73%	0.734	S	S	*	*			cis	-141.4	-171.7	-10.1	30.7	-6.9	0	0	0	117.1
178	H	31.5	Very low	32.2	Very low	155 Å²	155	142.7 Å²	142.7	72%	0.718	73%	0.728	S	S	*	*			trans	86.8	119	148.1	-91.9	-78.7	0	0	0	121.5
179	D	31	Very low	32.4	Very low	127 Å²	127	137.3 Å²	137.3	68%	0.679	72%	0.716	S	S	*	*			trans	36.6	135.7	143.3	-43.4	-14.1	0	0	0	120.4
180	L	36.6	Very low	32.6	Very low	148 Å²	148	139 Å²	139	78%	0.775	72%	0.717	S	S	*	*				-160.5	162.6	60.1	-85.6	165.5	0	0	0	113.4
181	D	35.7	Very low	32.9	Very low	147 Å²	147	139.2 Å²	139.2	79%	0.786	72%	0.718	S	S	*	*			trans	41.4	110.2	154.5	-57.9	-34	0	0	0	120.8
182	G	32.1	Very low	33.7	Very low	69 Å²	69	134.5 Å²	134.5	71%	0.711	71%	0.706	S	S	*	*			trans	-86.6	108.9	170.3	0	0	0	0	0	113.4	N184	G182-N184 PolarHBondContact O-ND2 3.47Å
183	D	37.2	Very low	34.1	Very low	159 Å²	159	127.4 Å²	127.4	85%	0.85	68%	0.683	S	S	*	*			trans	-70.9	144.6	175.2	-174.1	26.9	0	0	0	113
184	N	33.7	Very low	34.8	Very low	130 Å²	130	124.9 Å²	124.9	70%	0.695	67%	0.674	S	S	*	*			trans	-112.3	55.9	-169.2	-82.6	-102.6	0	0	0	112	G182 Q186	G182-N184 PolarHBondContact O-ND2 3.47Å; N184-Q186 PolarHBondContact O-N 2.95Å
185	G	33.4	Very low	36	Very low	72 Å²	72	123.5 Å²	123.5	74%	0.742	67%	0.667	S	S	*	*			trans	-70.4	39.5	-178.1	0	0	0	0	0	116.8
186	Q	33.2	Very low	36.8	Very low	165 Å²	165	121.3 Å²	121.3	77%	0.771	65%	0.654	S	S	*	*			trans	-138.5	97.5	175	-62.4	-159.6	-97.3	0	0	111.7	N184	N184-Q186 PolarHBondContact O-N 2.95Å
187	G	30.6	Very low	37.5	Very low	49 Å²	49	115.1 Å²	115.1	51%	0.505	64%	0.635	S	S	.	*			trans	-165.3	-35.4	175.6	0	0	0	0	0	116.8	G189 Y190	G187-G189 PolarHBondContact O-N 3.36Å; G187-Y190 PolarHBondContact O-N 3.17Å
188	E	34.9	Very low	38	Very low	164 Å²	164	115 Å²	115	77%	0.766	63%	0.625	S	S	*	*	H	α-helix	trans	-56.8	-41.8	-164.2	-58.2	178.5	156.4	0	0	114.6	Y190 E191 D192	E188-Y190 PolarHBondContact O-N 3.21Å; E188-Y190 VanDerWaalsContact O-N 3.13Å; E188-E191 WeakPolarHBondContact O-CB 3.21Å; E188-E191 PolarHBondContact O-N 3.4Å; E188-D192 PolarHBondContact O-N 2.61Å
189	G	32.9	Very low	39.3	Very low	48 Å²	48	111.9 Å²	111.9	50%	0.495	61%	0.613	S	S	.	*	H	α-helix	trans	-63.4	-19.9	-177.7	0	0	0	0	0	115.6	G187 N193	G187-G189 PolarHBondContact O-N 3.36Å; G189-N193 PolarHBondContact O-ND2 3.18Å
190	Y	31.7	Very low	40.3	Very low	186 Å²	186	109.1 Å²	109.1	73%	0.729	60%	0.598	S	S	*	*	H	α-helix	trans	-78.6	-33.1	171.4	-77	-77.8	0	0	0	112.1	G187 E188 N193 L194	G187-Y190 PolarHBondContact O-N 3.17Å; E188-Y190 PolarHBondContact O-N 3.21Å; E188-Y190 VanDerWaalsContact O-N 3.13Å; Y190-N193 PolarHBondContact O-N 2.66Å; Y190-L194 WeakPolarHBondContact O-CG 3.42Å; Y190-L194 PolarHBondContact O-N 2.92Å
191	E	37	Very low	40.9	Very low	138 Å²	138	106.9 Å²	106.9	65%	0.645	59%	0.586	S	S	*	*	H	α-helix	trans	-73	-40.7	-175.7	-160.7	154.2	-126.3	0	0	110.9	E188 N193 L194 K195	E188-E191 WeakPolarHBondContact O-CB 3.21Å; E188-E191 PolarHBondContact O-N 3.4Å; E191-N193 PolarHBondContact O-N 2.67Å; E191-L194 CarbonylContact O-C 3.42Å; E191-L194 WeakPolarHBondContact O-CB 3.2Å; E191-L194 PolarHBondContact O-N 3.22Å; E191-K195 WeakPolarHBondContact O-CB 3.18Å; E191-K195 PolarHBondContact O-N 2.89Å
192	D	45.4	Very low	41.9	Very low	89 Å²	89	105.3 Å²	105.3	48%	0.476	57%	0.572	S	S	.	*	H	α-helix	trans	-63.1	-39.3	172	-87.4	-20.6	0	0	0	113.3	E188 L194 K195 I196	E188-D192 PolarHBondContact O-N 2.61Å; D192-L194 VanDerWaalsContact C-N 3.35Å; D192-L194 PolarHBondContact O-N 3.12Å; D192-K195 WeakPolarHBondContact O-CA 3.4Å; D192-K195 VanDerWaalsContact O-CB 3.26Å; D192-K195 WeakPolarHBondContact O-CB 3.36Å; D192-K195 PolarHBondContact O-N 3.45Å; D192-K195 VanDerWaalsContact O-N 3.13Å; D192-I196 WeakPolarHBondContact O-CG1 3.39Å; D192-I196 PolarHBondContact O-N 3.17Å
193	N	38.5	Very low	43.1	Very low	58 Å²	58	106.3 Å²	106.3	31%	0.31	56%	0.561	S	S	.	*	H	α-helix	trans	-64.2	-40.3	174.9	-87.4	-71.7	0	0	0	111.7	Y142 G189 Y190 E191 K195 I196 I197	Y142-N193 PolarHBondContact OH-ND2 3.07Å; Y142-N193 VanDerWaalsContact OH-ND2 3.11Å; Y142-N193 PolarHBondContact OH-OD1 3.16Å; G189-N193 PolarHBondContact O-ND2 3.18Å; Y190-N193 PolarHBondContact O-N 2.66Å; E191-N193 PolarHBondContact O-N 2.67Å; N193-K195 VanDerWaalsContact C-N 3.35Å; N193-I196 PolarHBondContact O-N 2.96Å; N193-I197 WeakPolarHBondContact O-CG1 3.46Å; N193-I197 PolarHBondContact O-N 3.09Å
194	L	44.3	Very low	43.6	Very low	100 Å²	100	101.9 Å²	101.9	52%	0.524	53%	0.533	S	S	.	.	H	α-helix	trans	-63.8	-38.4	170.1	-77.1	163.2	0	0	0	111.9	Y190 E191 D192 I197 K198	Y190-L194 WeakPolarHBondContact O-CG 3.42Å; Y190-L194 PolarHBondContact O-N 2.92Å; E191-L194 CarbonylContact O-C 3.42Å; E191-L194 WeakPolarHBondContact O-CB 3.2Å; E191-L194 PolarHBondContact O-N 3.22Å; D192-L194 VanDerWaalsContact C-N 3.35Å; D192-L194 PolarHBondContact O-N 3.12Å; L194-I197 PolarHBondContact O-N 3.04Å; L194-K198 WeakPolarHBondContact O-CB 3.48Å; L194-K198 VanDerWaalsContact O-CG 3.27Å; L194-K198 WeakPolarHBondContact O-CG 3.34Å; L194-K198 PolarHBondContact O-N 2.96Å
195	K	55.5	Low	44.1	Very low	123 Å²	123	98.3 Å²	98.3	54%	0.535	51%	0.512	S	S	.	.	H	α-helix	trans	-62.1	-43.5	177.2	-145.8	167.2	-173.8	171.2	0	111.7	E191 D192 N193 K198 N199	E191-K195 WeakPolarHBondContact O-CB 3.18Å; E191-K195 PolarHBondContact O-N 2.89Å; D192-K195 WeakPolarHBondContact O-CA 3.4Å; D192-K195 VanDerWaalsContact O-CB 3.26Å; D192-K195 WeakPolarHBondContact O-CB 3.36Å; D192-K195 PolarHBondContact O-N 3.45Å; D192-K195 VanDerWaalsContact O-N 3.13Å; N193-K195 VanDerWaalsContact C-N 3.35Å; K195-K198 PolarHBondContact O-N 3.37Å; K195-N199 WeakPolarHBondContact O-CB 3.31Å; K195-N199 PolarHBondContact O-N 2.88Å; K195-N199 PolarHBondContact O-ND2 3.18Å
196	I	50.8	Low	45.4	Very low	96 Å²	96	101 Å²	101	49%	0.492	51%	0.506	S	S	.	.	H	α-helix	trans	-61.8	-44.5	175	-68.8	163.5	0	0	0	110.9	D192 N193 N199 L200	D192-I196 WeakPolarHBondContact O-CG1 3.39Å; D192-I196 PolarHBondContact O-N 3.17Å; N193-I196 PolarHBondContact O-N 2.96Å; I196-N199 PolarHBondContact O-N 2.95Å; I196-L200 HydrophobicContact CG2-CD1 4.09Å; I196-L200 WeakPolarHBondContact O-CB 3.34Å; I196-L200 WeakPolarHBondContact O-CG 3.49Å; I196-L200 PolarHBondContact O-N 3.42Å
197	I	43	Very low	46.4	Very low	96 Å²	96	97.5 Å²	97.5	49%	0.492	50%	0.499	S	S	.	.	H	α-helix	trans	-67.7	-44.9	177.9	-65.7	169.5	0	0	0	111	N193 L194 N199 L200 I201	N193-I197 WeakPolarHBondContact O-CG1 3.46Å; N193-I197 PolarHBondContact O-N 3.09Å; L194-I197 PolarHBondContact O-N 3.04Å; I197-N199 VanDerWaalsContact C-N 3.32Å; I197-N199 PolarHBondContact O-N 2.71Å; I197-L200 PolarHBondContact O-N 2.9Å; I197-I201 HydrophobicContact CG2-CD1 3.91Å; I197-I201 WeakPolarHBondContact O-CG1 3.35Å; I197-I201 PolarHBondContact O-N 3.28Å
198	K	48.5	Very low	47.5	Very low	97 Å²	97	100.2 Å²	100.2	42%	0.422	50%	0.497	S	S	.	.	H	α-helix	trans	-55.7	-45.8	174.2	-76.9	178.1	176.7	-164.8	0	111.2	L194 K195 I201 K202 Y253	L194-K198 WeakPolarHBondContact O-CB 3.48Å; L194-K198 VanDerWaalsContact O-CG 3.27Å; L194-K198 WeakPolarHBondContact O-CG 3.34Å; L194-K198 PolarHBondContact O-N 2.96Å; K195-K198 PolarHBondContact O-N 3.37Å; K198-I201 PolarHBondContact O-N 3.02Å; K198-K202 WeakPolarHBondContact O-CB 3.42Å; K198-K202 PolarHBondContact O-N 3.33Å; K198-Y253 HydrophobicContact CD-CE1 4.32Å; K198-Y253 VanDerWaalsContact CE-CE1 3.45Å; K198-Y253 PolarHBondContact NZ-OH 3.5Å
199	N	59.6	Low	48.2	Very low	89 Å²	89	97.3 Å²	97.3	48%	0.476	49%	0.487	S	S	.	.	H	α-helix	trans	-64.6	-44.3	177.2	-70.7	-11.8	0	0	0	112.2	K195 I196 I197 I201 K202 D203	K195-N199 WeakPolarHBondContact O-CB 3.31Å; K195-N199 PolarHBondContact O-N 2.88Å; K195-N199 PolarHBondContact O-ND2 3.18Å; I196-N199 PolarHBondContact O-N 2.95Å; I197-N199 VanDerWaalsContact C-N 3.32Å; I197-N199 PolarHBondContact O-N 2.71Å; N199-I201 VanDerWaalsContact C-N 3.26Å; N199-I201 PolarHBondContact O-N 2.98Å; N199-K202 WeakPolarHBondContact O-CB 3.27Å; N199-K202 PolarHBondContact O-N 3.27Å; N199-K202 VanDerWaalsContact O-N 3.14Å; N199-D203 PolarHBondContact O-N 3.08Å
200	L	52.6	Low	49	Very low	69 Å²	69	96.8 Å²	96.8	36%	0.361	47%	0.473	S	S	.	.	H	α-helix	trans	-62.4	-31.2	176.7	-76.6	168.5	0	0	0	113.4	K133 I196 I197 Y204	K133-L200 HydrophobicContact CD-CD2 4.18Å; I196-L200 HydrophobicContact CG2-CD1 4.09Å; I196-L200 WeakPolarHBondContact O-CB 3.34Å; I196-L200 WeakPolarHBondContact O-CG 3.49Å; I196-L200 PolarHBondContact O-N 3.42Å; I197-L200 PolarHBondContact O-N 2.9Å; L200-Y204 PolarHBondContact O-N 2.98Å
201	I	47.2	Very low	49.5	Very low	101 Å²	101	90.1 Å²	90.1	52%	0.518	46%	0.461	S	S	.	.	H	α-helix	trans	-74.3	-42.6	173.1	-67	167	0	0	0	110.5	I197 K198 N199 Y204 M205	I197-I201 HydrophobicContact CG2-CD1 3.91Å; I197-I201 WeakPolarHBondContact O-CG1 3.35Å; I197-I201 PolarHBondContact O-N 3.28Å; K198-I201 PolarHBondContact O-N 3.02Å; N199-I201 VanDerWaalsContact C-N 3.26Å; N199-I201 PolarHBondContact O-N 2.98Å; I201-Y204 PolarHBondContact O-N 3.17Å; I201-M205 HydrophobicContact CG2-CG 4.35Å; I201-M205 VanDerWaalsContact O-CG 3.25Å; I201-M205 WeakPolarHBondContact O-CG 3.42Å; I201-M205 PolarHBondContact O-N 3.06Å
202	K	57.6	Low	50.1	Low	114 Å²	114	90.4 Å²	90.4	50%	0.496	47%	0.465	S	S	.	.	H	α-helix	trans	-59	-52.7	175.6	-176.3	-179.3	173.1	-179.2	0	111.6	K198 N199 Y204 M205 E206	K198-K202 WeakPolarHBondContact O-CB 3.42Å; K198-K202 PolarHBondContact O-N 3.33Å; N199-K202 WeakPolarHBondContact O-CB 3.27Å; N199-K202 PolarHBondContact O-N 3.27Å; N199-K202 VanDerWaalsContact O-N 3.14Å; K202-Y204 PolarHBondContact O-N 3.11Å; K202-M205 PolarHBondContact O-N 3.22Å; K202-M205 VanDerWaalsContact O-N 3.08Å; K202-E206 WeakPolarHBondContact CE-OE1 3.37Å; K202-E206 HydrophobicContact CG-CG 4.4Å; K202-E206 IonicContact NZ-OE1 3.16Å; K202-E206 PolarHBondContact O-N 3.25Å
203	D	58.4	Low	50.4	Low	89 Å²	89	91.7 Å²	91.7	48%	0.476	47%	0.467	S	S	.	.	H	α-helix	trans	-49.1	-45.9	174.4	-76.6	2	0	0	0	111.5	N199 S207	N199-D203 PolarHBondContact O-N 3.08Å; D203-S207 WeakPolarHBondContact O-CB 3.16Å; D203-S207 PolarHBondContact O-N 2.84Å; D203-S207 PolarHBondContact O-OG 3.18Å
204	Y	47.6	Very low	51.1	Low	67 Å²	67	89.5 Å²	89.5	26%	0.263	46%	0.456	S	S	.	.	H	α-helix	trans	-65.8	-45.5	-179.6	-180	-94.5	0	0	0	112	L126 F129 L200 I201 K202 S207 K208 I210	L126-Y204 HydrophobicContact CD1-CD1 4.48Å; L126-Y204 HydrophobicContact CD1-CD2 4.07Å; L126-Y204 HydrophobicContact CD1-CE1 3.9Å; L126-Y204 HydrophobicContact CD1-CE2 3.41Å; L126-Y204 VanDerWaalsContact CD1-CE2 3.41Å; F129-Y204 HydrophobicContact CE1-CD2 4.15Å; F129-Y204 HydrophobicContact CZ-CD2 4.27Å; L200-Y204 PolarHBondContact O-N 2.98Å; I201-Y204 PolarHBondContact O-N 3.17Å; K202-Y204 PolarHBondContact O-N 3.11Å; Y204-S207 PolarHBondContact O-N 2.82Å; Y204-S207 PolarHBondContact O-OG 2.95Å; Y204-K208 HydrophobicContact CE2-CG 4.41Å; Y204-I210 HydrophobicContact CE1-CD1 4.28Å
205	M	43.3	Very low	51.7	Low	54 Å²	54	89.4 Å²	89.4	27%	0.266	45%	0.452	S	S	.	.	H	α-helix	trans	-64.4	-43.8	-179.8	-70.8	-81.5	-84.9	0	0	112.4	I201 K202 I210	I201-M205 HydrophobicContact CG2-CG 4.35Å; I201-M205 VanDerWaalsContact O-CG 3.25Å; I201-M205 WeakPolarHBondContact O-CG 3.42Å; I201-M205 PolarHBondContact O-N 3.06Å; K202-M205 PolarHBondContact O-N 3.22Å; K202-M205 VanDerWaalsContact O-N 3.08Å; M205-I210 HydrophobicContact CE-CG2 4.13Å; M205-I210 HydrophobicContact SD-CB 4.28Å; M205-I210 HydrophobicContact SD-CD1 4.31Å; M205-I210 HydrophobicContact SD-CG2 3.81Å
206	E	60.1	Low	51.9	Low	129 Å²	129	92.7 Å²	92.7	60%	0.603	46%	0.461	S	S	*	.	H	α-helix	trans	-67.4	-42.4	177	-70.7	179.6	169.7	0	0	111.3	K202 K208 D209	K202-E206 WeakPolarHBondContact CE-OE1 3.37Å; K202-E206 HydrophobicContact CG-CG 4.4Å; K202-E206 IonicContact NZ-OE1 3.16Å; K202-E206 PolarHBondContact O-N 3.25Å; E206-K208 PolarHBondContact O-N 3.48Å; E206-D209 PolarHBondContact O-N 2.95Å
207	S	53.9	Low	52	Low	91 Å²	91	91.6 Å²	91.6	64%	0.636	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-10.3	-180	75.8	0	0	0	0	115.9	D203 Y204	D203-S207 WeakPolarHBondContact O-CB 3.16Å; D203-S207 PolarHBondContact O-N 2.84Å; D203-S207 PolarHBondContact O-OG 3.18Å; Y204-S207 PolarHBondContact O-N 2.82Å; Y204-S207 PolarHBondContact O-OG 2.95Å
208	K	53.8	Low	52.2	Low	106 Å²	106	88.7 Å²	88.7	46%	0.461	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.9	1.2	-170	-78.3	-83.6	-170.7	165.5	0	114.2	Y204 E206 I210	Y204-K208 HydrophobicContact CE2-CG 4.41Å; E206-K208 PolarHBondContact O-N 3.48Å; K208-I210 VanDerWaalsContact C-N 3.29Å; K208-I210 HydrophobicContact CB-CD1 3.47Å; K208-I210 VanDerWaalsContact CB-CD1 3.47Å; K208-I210 HydrophobicContact CB-CG1 3.64Å; K208-I210 HydrophobicContact CG-CD1 4.26Å; K208-I210 PolarHBondContact O-N 2.81Å
209	D	50.5	Low	52.5	Low	104 Å²	104	87.8 Å²	87.8	56%	0.556	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	39.6	177.7	-146.6	-6.4	0	0	0	112	E206 K213	E206-D209 PolarHBondContact O-N 2.95Å; D209-K213 PolarHBondContact O-NZ 3.41Å
210	I	48.8	Very low	52.5	Low	37 Å²	37	89.8 Å²	89.8	19%	0.19	45%	0.445	C	S	.	.			trans	-86.5	-29	-171.7	-69.2	171.7	0	0	0	112.5	Y204 M205 K208 L212 K213 T214	Y204-I210 HydrophobicContact CE1-CD1 4.28Å; M205-I210 HydrophobicContact CE-CG2 4.13Å; M205-I210 HydrophobicContact SD-CB 4.28Å; M205-I210 HydrophobicContact SD-CD1 4.31Å; M205-I210 HydrophobicContact SD-CG2 3.81Å; K208-I210 VanDerWaalsContact C-N 3.29Å; K208-I210 HydrophobicContact CB-CD1 3.47Å; K208-I210 VanDerWaalsContact CB-CD1 3.47Å; K208-I210 HydrophobicContact CB-CG1 3.64Å; K208-I210 HydrophobicContact CG-CD1 4.26Å; K208-I210 PolarHBondContact O-N 2.81Å; I210-L212 PolarHBondContact O-N 3Å; I210-K213 PolarHBondContact O-N 3.36Å; I210-K213 VanDerWaalsContact O-N 3.12Å; I210-T214 WeakPolarHBondContact O-CB 3.49Å; I210-T214 PolarHBondContact O-N 3.45Å; I210-T214 PolarHBondContact O-OG1 3.45Å
211	G	43.1	Very low	52.3	Low	46 Å²	46	88.6 Å²	88.6	47%	0.474	44%	0.439	S	S	.	.	H	α-helix	trans	-57.6	-46.6	-174.9	0	0	0	0	0	114.3	K213 T214 Q215	G211-K213 VanDerWaalsContact C-N 3.27Å; G211-K213 PolarHBondContact O-N 2.87Å; G211-T214 VanDerWaalsContact O-CB 3.27Å; G211-T214 WeakPolarHBondContact O-CB 3.38Å; G211-T214 PolarHBondContact O-N 2.89Å; G211-Q215 PolarHBondContact O-N 2.88Å
212	L	50	Low	52.6	Low	143 Å²	143	88.1 Å²	88.1	75%	0.749	43%	0.433	S	S	*	.	H	α-helix	trans	-68.2	-24.7	178.6	-75.9	166.7	0	0	0	113.7	I210	I210-L212 PolarHBondContact O-N 3Å
213	K	50.6	Low	52.4	Low	117 Å²	117	86 Å²	86	51%	0.509	43%	0.432	S	S	.	.	H	α-helix	trans	-81.5	-36.4	176.5	-60.1	176.2	-174	75.9	0	110.9	D209 I210 G211 Q215 Q217	D209-K213 PolarHBondContact O-NZ 3.41Å; I210-K213 PolarHBondContact O-N 3.36Å; I210-K213 VanDerWaalsContact O-N 3.12Å; G211-K213 VanDerWaalsContact C-N 3.27Å; G211-K213 PolarHBondContact O-N 2.87Å; K213-Q215 PolarHBondContact O-N 3.48Å; K213-Q217 WeakPolarHBondContact O-CG 3.49Å
214	T	54.7	Low	51.8	Low	12 Å²	12	84 Å²	84	7%	0.074	43%	0.425	C	S	.	.	H	α-helix	trans	-53.1	-50.1	173.7	-83.5	0	0	0	0	112.3	I210 G211 R216 Q217 Q218 H256	I210-T214 WeakPolarHBondContact O-CB 3.49Å; I210-T214 PolarHBondContact O-N 3.45Å; I210-T214 PolarHBondContact O-OG1 3.45Å; G211-T214 VanDerWaalsContact O-CB 3.27Å; G211-T214 WeakPolarHBondContact O-CB 3.38Å; G211-T214 PolarHBondContact O-N 2.89Å; T214-R216 PolarHBondContact O-N 3.47Å; T214-Q217 PolarHBondContact O-N 2.81Å; T214-Q217 VanDerWaalsContact O-N 3.1Å; T214-Q218 PolarHBondContact O-N 3.49Å; T214-H256 WeakPolarHBondContact CB-NE2 3.47Å; T214-H256 WeakPolarHBondContact CG2-CE1 3.46Å; T214-H256 WeakPolarHBondContact CG2-NE2 3.5Å; T214-H256 PolarHBondContact OG1-NE2 2.97Å
215	Q	56.7	Low	51.5	Low	97 Å²	97	84.5 Å²	84.5	45%	0.453	43%	0.431	S	S	.	.	H	α-helix	trans	-59.6	-52.1	-170	-163.7	62.5	39.1	0	0	112.8	G211 K213 Q217 Q218 D219	G211-Q215 PolarHBondContact O-N 2.88Å; K213-Q215 PolarHBondContact O-N 3.48Å; Q215-Q217 PolarHBondContact O-N 2.86Å; Q215-Q218 WeakPolarHBondContact O-CB 3.47Å; Q215-Q218 PolarHBondContact O-N 2.84Å; Q215-D219 PolarHBondContact O-N 3.42Å; Q215-D219 VanDerWaalsContact O-N 3.07Å
216	R	58.5	Low	51.6	Low	192 Å²	192	89.2 Å²	89.2	73%	0.725	45%	0.45	S	S	*	.	H	α-helix	trans	-58	-35.2	177.5	-70.3	-169.4	-180	-164	0.4	112.9	T214 D219 E220	T214-R216 PolarHBondContact O-N 3.47Å; R216-D219 PolarHBondContact O-N 3.44Å; R216-E220 WeakPolarHBondContact O-CB 3.35Å; R216-E220 WeakPolarHBondContact O-CG 3.29Å; R216-E220 PolarHBondContact O-N 2.8Å
217	Q	53.5	Low	50.8	Low	74 Å²	74	92.7 Å²	92.7	35%	0.346	46%	0.459	S	S	.	.	H	α-helix	trans	-73.2	-29.8	178.5	-64.9	-173.1	-92.8	0	0	112.3	K213 T214 Q215 L221	K213-Q217 WeakPolarHBondContact O-CG 3.49Å; T214-Q217 PolarHBondContact O-N 2.81Å; T214-Q217 VanDerWaalsContact O-N 3.1Å; Q215-Q217 PolarHBondContact O-N 2.86Å; Q217-L221 VanDerWaalsContact O-CB 3.27Å; Q217-L221 WeakPolarHBondContact O-CB 3.2Å; Q217-L221 VanDerWaalsContact O-CG 3.27Å; Q217-L221 WeakPolarHBondContact O-CG 3.39Å; Q217-L221 PolarHBondContact O-N 3.11Å
218	Q	47.7	Very low	49.9	Very low	35 Å²	35	93.3 Å²	93.3	16%	0.164	46%	0.464	C	S	.	.	H	α-helix	trans	-66.9	-42	168.7	-68.2	-172	-3	0	0	111.6	T214 Q215 L221 K222 H256	T214-Q218 PolarHBondContact O-N 3.49Å; Q215-Q218 WeakPolarHBondContact O-CB 3.47Å; Q215-Q218 PolarHBondContact O-N 2.84Å; Q218-L221 PolarHBondContact O-N 3.24Å; Q218-K222 WeakPolarHBondContact O-CB 3.49Å; Q218-K222 WeakPolarHBondContact O-CG 3.37Å; Q218-K222 PolarHBondContact O-N 3Å; Q218-H256 HydrophobicContact CG-CB 4.1Å; Q218-H256 PolarHBondContact NE2-ND1 2.93Å
219	D	54.6	Low	48.9	Very low	77 Å²	77	94.6 Å²	94.6	41%	0.412	48%	0.476	S	S	.	.	H	α-helix	trans	-68.3	-40.4	-179.4	-57.7	-36	0	0	0	111.9	Q215 R216 S223	Q215-D219 PolarHBondContact O-N 3.42Å; Q215-D219 VanDerWaalsContact O-N 3.07Å; R216-D219 PolarHBondContact O-N 3.44Å; D219-S223 WeakPolarHBondContact O-CB 3.46Å; D219-S223 PolarHBondContact O-N 2.8Å; D219-S223 VanDerWaalsContact O-N 3.07Å; D219-S223 PolarHBondContact O-OG 2.86Å
220	E	58.9	Low	48.3	Very low	132 Å²	132	96.4 Å²	96.4	62%	0.617	49%	0.485	S	S	*	.	H	α-helix	trans	-61.1	-44.6	169.8	-75	172.4	-171.1	0	0	111.7	R216 S223 S224	R216-E220 WeakPolarHBondContact O-CB 3.35Å; R216-E220 WeakPolarHBondContact O-CG 3.29Å; R216-E220 PolarHBondContact O-N 2.8Å; E220-S223 PolarHBondContact O-N 3.5Å; E220-S224 PolarHBondContact O-N 3.5Å
221	L	49.7	Very low	48	Very low	44 Å²	44	102.7 Å²	102.7	23%	0.23	52%	0.519	C	S	.	.	H	α-helix	trans	-67.5	-44.9	179.2	-81.8	169.4	0	0	0	112.7	Q217 Q218 S223 S224 M225	Q217-L221 VanDerWaalsContact O-CB 3.27Å; Q217-L221 WeakPolarHBondContact O-CB 3.2Å; Q217-L221 VanDerWaalsContact O-CG 3.27Å; Q217-L221 WeakPolarHBondContact O-CG 3.39Å; Q217-L221 PolarHBondContact O-N 3.11Å; Q218-L221 PolarHBondContact O-N 3.24Å; L221-S223 VanDerWaalsContact C-N 3.33Å; L221-S223 PolarHBondContact O-N 2.89Å; L221-S224 PolarHBondContact O-N 2.85Å; L221-S224 VanDerWaalsContact O-N 3.08Å; L221-S224 PolarHBondContact O-OG 2.65Å; L221-M225 PolarHBondContact O-N 2.65Å; L221-M225 VanDerWaalsContact O-N 3.12Å
222	K	52.6	Low	48	Very low	91 Å²	91	107.4 Å²	107.4	40%	0.396	53%	0.533	S	S	.	.	H	α-helix	trans	-55.9	-49.7	174.2	-78.2	176.7	177.8	173.9	0	110.4	Q218 S224 M225 F226 Y246	Q218-K222 WeakPolarHBondContact O-CB 3.49Å; Q218-K222 WeakPolarHBondContact O-CG 3.37Å; Q218-K222 PolarHBondContact O-N 3Å; K222-S224 VanDerWaalsContact C-N 3.25Å; K222-S224 PolarHBondContact O-N 2.96Å; K222-M225 PolarHBondContact O-N 3.28Å; K222-F226 HydrophobicContact CB-CD2 4.48Å; K222-F226 WeakPolarHBondContact O-CD2 3.32Å; K222-F226 PolarHBondContact O-N 2.76Å; K222-F226 VanDerWaalsContact O-N 3.16Å; K222-Y246 WeakPolarHBondContact CG-OH 3.34Å
223	S	54.2	Low	47.9	Very low	69 Å²	69	108.3 Å²	108.3	48%	0.483	54%	0.539	S	S	.	.	H	α-helix	trans	-57.9	-37.6	175.8	-56.9	0	0	0	0	112.3	D219 E220 L221 Y227	D219-S223 WeakPolarHBondContact O-CB 3.46Å; D219-S223 PolarHBondContact O-N 2.8Å; D219-S223 VanDerWaalsContact O-N 3.07Å; D219-S223 PolarHBondContact O-OG 2.86Å; E220-S223 PolarHBondContact O-N 3.5Å; L221-S223 VanDerWaalsContact C-N 3.33Å; L221-S223 PolarHBondContact O-N 2.89Å; S223-Y227 WeakPolarHBondContact O-CD2 3.23Å
224	S	45.1	Very low	47.7	Very low	46 Å²	46	108.6 Å²	108.6	32%	0.322	54%	0.544	S	S	.	.	H	α-helix	trans	-69.2	-32.8	179.7	78.8	0	0	0	0	114.4	E220 L221 K222 S228	E220-S224 PolarHBondContact O-N 3.5Å; L221-S224 PolarHBondContact O-N 2.85Å; L221-S224 VanDerWaalsContact O-N 3.08Å; L221-S224 PolarHBondContact O-OG 2.65Å; K222-S224 VanDerWaalsContact C-N 3.25Å; K222-S224 PolarHBondContact O-N 2.96Å; S224-S228 PolarHBondContact O-OG 3.07Å; S224-S228 VanDerWaalsContact O-OG 3.05Å
225	M	40.2	Very low	47.8	Very low	79 Å²	79	111.5 Å²	111.5	39%	0.389	56%	0.559	S	S	.	*	H	α-helix	trans	-77.3	-49.7	177.7	-64.3	-149.9	-46.9	0	0	112.3	L221 K222 Y227 S228 Y246	L221-M225 PolarHBondContact O-N 2.65Å; L221-M225 VanDerWaalsContact O-N 3.12Å; K222-M225 PolarHBondContact O-N 3.28Å; M225-Y227 PolarHBondContact O-N 2.79Å; M225-S228 PolarHBondContact O-N 3.49Å; M225-Y246 HydrophobicContact CE-CD1 3.51Å; M225-Y246 HydrophobicContact CE-CD2 3.5Å; M225-Y246 VanDerWaalsContact CE-CD2 3.5Å; M225-Y246 HydrophobicContact CE-CE1 3.55Å; M225-Y246 HydrophobicContact CE-CE2 3.54Å; M225-Y246 HydrophobicContact CE-CG 3.47Å; M225-Y246 VanDerWaalsContact CE-CG 3.47Å; M225-Y246 HydrophobicContact CG-CE2 4.48Å; M225-Y246 HydrophobicContact SD-CD1 4.49Å; M225-Y246 HydrophobicContact SD-CD2 3.42Å; M225-Y246 WeakPolarHBondContact SD-CD2 3.27Å; M225-Y246 HydrophobicContact SD-CE2 3.69Å; M225-Y246 HydrophobicContact SD-CG 3.86Å
226	F	45.6	Very low	48.1	Very low	153 Å²	153	113 Å²	113	67%	0.671	57%	0.566	S	S	*	*	H	α-helix	trans	-73.4	-8.3	-170.5	-68.5	-64.9	0	0	0	114.9	K222	K222-F226 HydrophobicContact CB-CD2 4.48Å; K222-F226 WeakPolarHBondContact O-CD2 3.32Å; K222-F226 PolarHBondContact O-N 2.76Å; K222-F226 VanDerWaalsContact O-N 3.16Å
227	Y	44.6	Very low	48.1	Very low	201 Å²	201	109.2 Å²	109.2	79%	0.788	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.8	7.3	178.9	-73	-72.1	0	0	0	115.3	S223 M225 N229	S223-Y227 WeakPolarHBondContact O-CD2 3.23Å; M225-Y227 PolarHBondContact O-N 2.79Å; Y227-N229 VanDerWaalsContact C-N 3.33Å; Y227-N229 PolarHBondContact O-N 3.46Å; Y227-N229 VanDerWaalsContact O-N 3.14Å
228	S	35.5	Very low	48	Very low	104 Å²	104	109 Å²	109	73%	0.727	56%	0.561	S	S	*	*			trans	-89.1	64.4	176.8	-69.2	0	0	0	0	112.1	S224 M225	S224-S228 PolarHBondContact O-OG 3.07Å; S224-S228 VanDerWaalsContact O-OG 3.05Å; M225-S228 PolarHBondContact O-N 3.49Å
229	N	31.5	Very low	48.4	Very low	134 Å²	134	111.1 Å²	111.1	72%	0.717	58%	0.576	S	S	*	*			trans	-108.8	114.8	171.7	-174.8	15.1	0	0	0	109.9	Y227	Y227-N229 VanDerWaalsContact C-N 3.33Å; Y227-N229 PolarHBondContact O-N 3.46Å; Y227-N229 VanDerWaalsContact O-N 3.14Å
230	N	38.6	Very low	48.9	Very low	142 Å²	142	112.6 Å²	112.6	76%	0.759	58%	0.579	S	S	*	*	S	Bend	trans	169.5	3.1	154.4	-95.3	-22.6	0	0	0	116.6
231	N	41.3	Very low	48.6	Very low	168 Å²	168	114.2 Å²	114.2	90%	0.898	58%	0.581	S	S	*	*			trans	-135.1	124.3	173.5	-88.8	-64.7	0	0	0	112.9
232	N	43.5	Very low	48.6	Very low	145 Å²	145	114.8 Å²	114.8	78%	0.775	59%	0.592	S	S	*	*			trans	-93.1	132.1	-171.4	-56.5	-49.6	0	0	0	111.7
233	N	48	Very low	49	Very low	163 Å²	163	116.4 Å²	116.4	87%	0.872	60%	0.601	S	S	*	*			trans	175.4	0.1	142.7	-100.3	-8.1	0	0	0	115.3	N235	N233-N235 PolarHBondContact O-N 3.29Å
234	M	46.3	Very low	49.3	Very low	123 Å²	123	120.4 Å²	120.4	61%	0.606	61%	0.61	S	S	*	*			trans	-63.6	132.9	166.5	-75	-65.8	-178.3	0	0	109.7	D238 V239	M234-D238 HydrophobicContact CB-CB 4.42Å; M234-D238 HydrophobicContact SD-CB 4Å; M234-V239 HydrophobicContact CB-CG2 3.94Å
235	N	57.4	Low	49.6	Very low	72 Å²	72	120 Å²	120	39%	0.385	61%	0.605	S	S	.	*			trans	-74.7	155.1	176.9	110.6	78.7	0	0	0	109.8	N233 N237 D238 V239	N233-N235 PolarHBondContact O-N 3.29Å; N235-N237 PolarHBondContact O-N 2.95Å; N235-N237 VanDerWaalsContact O-N 3.09Å; N235-N237 VanDerWaalsContact OD1-CB 3.3Å; N235-N237 WeakPolarHBondContact OD1-CB 3.42Å; N235-N237 PolarHBondContact OD1-N 3.24Å; N235-N237 PolarHBondContact OD1-ND2 3.39Å; N235-D238 WeakPolarHBondContact CB-OD2 3.38Å; N235-D238 PolarHBondContact N-OD2 3.3Å; N235-D238 PolarHBondContact ND2-OD1 2.77Å; N235-D238 PolarHBondContact ND2-OD2 3.21Å; N235-D238 WeakPolarHBondContact O-CA 3Å; N235-D238 WeakPolarHBondContact O-CB 3.12Å; N235-D238 PolarHBondContact O-N 2.84Å; N235-V239 PolarHBondContact O-N 2.95Å; N235-V239 VanDerWaalsContact O-N 3.08Å
236	E	62.2	Low	50.1	Low	129 Å²	129	117.5 Å²	117.5	60%	0.603	59%	0.592	S	S	*	*	H	α-helix	trans	-57.9	-30.8	-174.9	-160.5	-168.8	139.1	0	0	112.6	K240	E236-K240 HydrophobicContact CG-CD 4.44Å; E236-K240 WeakPolarHBondContact O-CB 3.25Å; E236-K240 WeakPolarHBondContact O-CG 3.43Å; E236-K240 PolarHBondContact O-N 2.76Å; E236-K240 VanDerWaalsContact OE1-CE 3.31Å; E236-K240 WeakPolarHBondContact OE1-CE 3.36Å; E236-K240 IonicContact OE1-NZ 3.75Å; E236-K240 PolarHBondContact OE1-NZ 3.24Å
237	N	58.9	Low	50.7	Low	112 Å²	112	114.9 Å²	114.9	60%	0.599	58%	0.581	S	S	*	*	H	α-helix	trans	-72.1	-32.2	173.9	-57.1	-76.4	0	0	0	112.7	N235 Y241	N235-N237 PolarHBondContact O-N 2.95Å; N235-N237 VanDerWaalsContact O-N 3.09Å; N235-N237 VanDerWaalsContact OD1-CB 3.3Å; N235-N237 WeakPolarHBondContact OD1-CB 3.42Å; N235-N237 PolarHBondContact OD1-N 3.24Å; N235-N237 PolarHBondContact OD1-ND2 3.39Å; N237-Y241 WeakPolarHBondContact O-CB 3.4Å; N237-Y241 PolarHBondContact O-N 3.01Å
238	D	50.9	Low	50.9	Low	70 Å²	70	113.3 Å²	113.3	37%	0.374	58%	0.579	S	S	.	*	H	α-helix	trans	-68.9	-40.3	174.6	-54.7	-39.8	0	0	0	110.5	M234 N235 Y241 A242	M234-D238 HydrophobicContact CB-CB 4.42Å; M234-D238 HydrophobicContact SD-CB 4Å; N235-D238 WeakPolarHBondContact CB-OD2 3.38Å; N235-D238 PolarHBondContact N-OD2 3.3Å; N235-D238 PolarHBondContact ND2-OD1 2.77Å; N235-D238 PolarHBondContact ND2-OD2 3.21Å; N235-D238 WeakPolarHBondContact O-CA 3Å; N235-D238 WeakPolarHBondContact O-CB 3.12Å; N235-D238 PolarHBondContact O-N 2.84Å; D238-Y241 PolarHBondContact O-N 3.02Å; D238-A242 VanDerWaalsContact O-CB 3.29Å; D238-A242 WeakPolarHBondContact O-CB 3.2Å; D238-A242 PolarHBondContact O-N 3.07Å
239	V	56.2	Low	51.4	Low	79 Å²	79	108.7 Å²	108.7	48%	0.479	55%	0.546	S	S	.	.	H	α-helix	trans	-64.2	-46.8	174.5	-179.1	0	0	0	0	110.4	M234 N235 Y241 A242 Q243	M234-V239 HydrophobicContact CB-CG2 3.94Å; N235-V239 PolarHBondContact O-N 2.95Å; N235-V239 VanDerWaalsContact O-N 3.08Å; V239-Y241 VanDerWaalsContact C-N 3.33Å; V239-Y241 PolarHBondContact O-N 2.85Å; V239-A242 PolarHBondContact O-N 3.01Å; V239-Q243 VanDerWaalsContact O-CB 3.31Å; V239-Q243 WeakPolarHBondContact O-CB 3.17Å; V239-Q243 PolarHBondContact O-N 2.95Å
240	K	65	Low	52.5	Low	108 Å²	108	103.8 Å²	103.8	47%	0.47	52%	0.521	S	S	.	.	H	α-helix	trans	-64.7	-33.8	175.5	-76.2	168.8	170.8	172	0	112.9	E236 K244	E236-K240 HydrophobicContact CG-CD 4.44Å; E236-K240 WeakPolarHBondContact O-CB 3.25Å; E236-K240 WeakPolarHBondContact O-CG 3.43Å; E236-K240 PolarHBondContact O-N 2.76Å; E236-K240 VanDerWaalsContact OE1-CE 3.31Å; E236-K240 WeakPolarHBondContact OE1-CE 3.36Å; E236-K240 IonicContact OE1-NZ 3.75Å; E236-K240 PolarHBondContact OE1-NZ 3.24Å; K240-K244 WeakPolarHBondContact O-CB 3.29Å; K240-K244 PolarHBondContact O-N 3.01Å
241	Y	53.1	Low	53.2	Low	166 Å²	166	101.3 Å²	101.3	65%	0.651	51%	0.508	S	S	*	.	H	α-helix	trans	-69.3	-48.8	173.8	-179.6	-101	0	0	0	111.1	N237 D238 V239 Q243 K244 V245	N237-Y241 WeakPolarHBondContact O-CB 3.4Å; N237-Y241 PolarHBondContact O-N 3.01Å; D238-Y241 PolarHBondContact O-N 3.02Å; V239-Y241 VanDerWaalsContact C-N 3.33Å; V239-Y241 PolarHBondContact O-N 2.85Å; Y241-Q243 VanDerWaalsContact C-N 3.29Å; Y241-Q243 PolarHBondContact O-N 2.86Å; Y241-K244 PolarHBondContact O-N 3.22Å; Y241-V245 HydrophobicContact CD1-CG2 4.12Å; Y241-V245 HydrophobicContact CD2-CG2 4.43Å; Y241-V245 HydrophobicContact CE1-CG2 3.76Å; Y241-V245 HydrophobicContact CE2-CG2 4.09Å; Y241-V245 HydrophobicContact CG-CG2 4.44Å; Y241-V245 WeakPolarHBondContact O-CB 3.49Å; Y241-V245 VanDerWaalsContact O-CG2 3.3Å; Y241-V245 WeakPolarHBondContact O-CG2 3.21Å; Y241-V245 PolarHBondContact O-N 3.26Å
242	A	51.1	Low	53.5	Low	57 Å²	57	99.8 Å²	99.8	47%	0.471	50%	0.495	S	S	.	.	H	α-helix	trans	-59.8	-38.6	175.3	0	0	0	0	0	112	D238 V239 V245 Y246	D238-A242 VanDerWaalsContact O-CB 3.29Å; D238-A242 WeakPolarHBondContact O-CB 3.2Å; D238-A242 PolarHBondContact O-N 3.07Å; V239-A242 PolarHBondContact O-N 3.01Å; A242-V245 PolarHBondContact O-N 3.21Å; A242-Y246 WeakPolarHBondContact O-CB 3.39Å; A242-Y246 PolarHBondContact O-N 3.47Å
243	Q	59.9	Low	53.2	Low	125 Å²	125	99.1 Å²	99.1	58%	0.584	48%	0.483	S	S	*	.	H	α-helix	trans	-64.5	-48.4	174	-174.6	174.9	-3.6	0	0	111.7	V239 Y241 V245 Y246 E247	V239-Q243 VanDerWaalsContact O-CB 3.31Å; V239-Q243 WeakPolarHBondContact O-CB 3.17Å; V239-Q243 PolarHBondContact O-N 2.95Å; Y241-Q243 VanDerWaalsContact C-N 3.29Å; Y241-Q243 PolarHBondContact O-N 2.86Å; Q243-V245 VanDerWaalsContact C-N 3.32Å; Q243-V245 PolarHBondContact O-N 3.17Å; Q243-Y246 PolarHBondContact O-N 3.06Å; Q243-E247 VanDerWaalsContact O-CB 3.28Å; Q243-E247 WeakPolarHBondContact O-CB 3.4Å; Q243-E247 PolarHBondContact O-N 2.88Å
244	K	60.4	Low	52.9	Low	153 Å²	153	92.5 Å²	92.5	67%	0.665	45%	0.453	S	S	*	.	H	α-helix	trans	-62.4	-37	174.9	-82.1	-170	170.9	-170.1	0	113	K240 Y241 F248	K240-K244 WeakPolarHBondContact O-CB 3.29Å; K240-K244 PolarHBondContact O-N 3.01Å; Y241-K244 PolarHBondContact O-N 3.22Å; K244-F248 WeakPolarHBondContact O-CB 3.4Å; K244-F248 PolarHBondContact O-N 3.18Å
245	V	51.9	Low	53	Low	37 Å²	37	88.2 Å²	88.2	22%	0.224	43%	0.433	C	S	.	.	H	α-helix	trans	-68.5	-42.2	175.9	167.5	0	0	0	0	110.7	Y241 A242 Q243 L249	Y241-V245 HydrophobicContact CD1-CG2 4.12Å; Y241-V245 HydrophobicContact CD2-CG2 4.43Å; Y241-V245 HydrophobicContact CE1-CG2 3.76Å; Y241-V245 HydrophobicContact CE2-CG2 4.09Å; Y241-V245 HydrophobicContact CG-CG2 4.44Å; Y241-V245 WeakPolarHBondContact O-CB 3.49Å; Y241-V245 VanDerWaalsContact O-CG2 3.3Å; Y241-V245 WeakPolarHBondContact O-CG2 3.21Å; Y241-V245 PolarHBondContact O-N 3.26Å; A242-V245 PolarHBondContact O-N 3.21Å; Q243-V245 VanDerWaalsContact C-N 3.32Å; Q243-V245 PolarHBondContact O-N 3.17Å; V245-L249 HydrophobicContact CG1-CD1 3.73Å; V245-L249 HydrophobicContact CG1-CG 4.5Å; V245-L249 VanDerWaalsContact O-CB 3.26Å; V245-L249 WeakPolarHBondContact O-CB 3.32Å; V245-L249 WeakPolarHBondContact O-CG 3.33Å; V245-L249 PolarHBondContact O-N 2.94Å
246	Y	51.1	Low	52.5	Low	27 Å²	27	85.1 Å²	85.1	11%	0.106	42%	0.417	C	S	.	.	H	α-helix	trans	-62.5	-48.1	173.2	-179.3	-89.8	0	0	0	111.2	K222 M225 A242 Q243 F248 L249 T250 L259	K222-Y246 WeakPolarHBondContact CG-OH 3.34Å; M225-Y246 HydrophobicContact CE-CD1 3.51Å; M225-Y246 HydrophobicContact CE-CD2 3.5Å; M225-Y246 VanDerWaalsContact CE-CD2 3.5Å; M225-Y246 HydrophobicContact CE-CE1 3.55Å; M225-Y246 HydrophobicContact CE-CE2 3.54Å; M225-Y246 HydrophobicContact CE-CG 3.47Å; M225-Y246 VanDerWaalsContact CE-CG 3.47Å; M225-Y246 HydrophobicContact CG-CE2 4.48Å; M225-Y246 HydrophobicContact SD-CD1 4.49Å; M225-Y246 HydrophobicContact SD-CD2 3.42Å; M225-Y246 WeakPolarHBondContact SD-CD2 3.27Å; M225-Y246 HydrophobicContact SD-CE2 3.69Å; M225-Y246 HydrophobicContact SD-CG 3.86Å; A242-Y246 WeakPolarHBondContact O-CB 3.39Å; A242-Y246 PolarHBondContact O-N 3.47Å; Q243-Y246 PolarHBondContact O-N 3.06Å; Y246-F248 PolarHBondContact O-N 3.24Å; Y246-L249 CarbonylContact O-C 3.56Å; Y246-L249 VanDerWaalsContact O-C 3.28Å; Y246-L249 WeakPolarHBondContact O-CA 3.38Å; Y246-L249 PolarHBondContact O-N 3.13Å; Y246-T250 HydrophobicContact CD1-CG2 4.04Å; Y246-T250 HydrophobicContact CD2-CG2 4.21Å; Y246-T250 HydrophobicContact CE1-CG2 3.65Å; Y246-T250 HydrophobicContact CE2-CG2 3.84Å; Y246-T250 HydrophobicContact CG-CG2 4.31Å; Y246-T250 WeakPolarHBondContact O-CG2 3.44Å; Y246-T250 PolarHBondContact O-N 3.27Å; Y246-T250 PolarHBondContact O-OG1 3.26Å; Y246-L259 HydrophobicContact CD2-CD1 3.67Å; Y246-L259 HydrophobicContact CD2-CD2 4.3Å; Y246-L259 HydrophobicContact CE2-CD1 3.7Å
247	E	57	Low	51.8	Low	97 Å²	97	81.6 Å²	81.6	45%	0.453	40%	0.402	S	S	.	.	H	α-helix	trans	-58.9	-44.9	179	-172.1	170.6	-154.7	0	0	111.8	Q243 L249 T250 N251	Q243-E247 VanDerWaalsContact O-CB 3.28Å; Q243-E247 WeakPolarHBondContact O-CB 3.4Å; Q243-E247 PolarHBondContact O-N 2.88Å; E247-L249 VanDerWaalsContact C-N 3.27Å; E247-L249 PolarHBondContact O-N 3.49Å; E247-T250 PolarHBondContact O-N 2.82Å; E247-N251 VanDerWaalsContact CG-ND2 3.31Å; E247-N251 WeakPolarHBondContact CG-ND2 3.38Å; E247-N251 WeakPolarHBondContact O-CB 3.45Å; E247-N251 PolarHBondContact O-N 3.31Å
248	F	49.9	Very low	51.3	Low	169 Å²	169	80.3 Å²	80.3	74%	0.741	40%	0.395	S	S	*	.	H	α-helix	trans	-63.3	-28	171.7	-179	-97.7	0	0	0	113.6	K244 Y246	K244-F248 WeakPolarHBondContact O-CB 3.4Å; K244-F248 PolarHBondContact O-N 3.18Å; Y246-F248 PolarHBondContact O-N 3.24Å
249	L	44.8	Very low	51	Low	6 Å²	6	77 Å²	77	3%	0.031	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	4.5	178.3	-65.7	173.1	0	0	0	114.2	V245 Y246 E247 T255 H256 L259 M262	V245-L249 HydrophobicContact CG1-CD1 3.73Å; V245-L249 HydrophobicContact CG1-CG 4.5Å; V245-L249 VanDerWaalsContact O-CB 3.26Å; V245-L249 WeakPolarHBondContact O-CB 3.32Å; V245-L249 WeakPolarHBondContact O-CG 3.33Å; V245-L249 PolarHBondContact O-N 2.94Å; Y246-L249 CarbonylContact O-C 3.56Å; Y246-L249 VanDerWaalsContact O-C 3.28Å; Y246-L249 WeakPolarHBondContact O-CA 3.38Å; Y246-L249 PolarHBondContact O-N 3.13Å; E247-L249 VanDerWaalsContact C-N 3.27Å; E247-L249 PolarHBondContact O-N 3.49Å; L249-T255 VanDerWaalsContact C-OG1 3.32Å; L249-T255 WeakPolarHBondContact CA-OG1 3.43Å; L249-T255 CarbonylContact O-C 3.5Å; L249-T255 PolarHBondContact O-OG1 2.87Å; L249-T255 VanDerWaalsContact O-OG1 3.06Å; L249-H256 PolarHBondContact O-N 2.87Å; L249-H256 VanDerWaalsContact O-N 3.17Å; L249-L259 HydrophobicContact CB-CD1 4.32Å; L249-L259 HydrophobicContact CB-CD2 3.89Å; L249-L259 HydrophobicContact CB-CG 3.86Å; L249-L259 HydrophobicContact CD1-CD2 3.55Å; L249-L259 HydrophobicContact CD1-CG 4.16Å; L249-L259 HydrophobicContact CG-CD2 4.38Å; L249-M262 HydrophobicContact CD1-CE 3.94Å; L249-M262 HydrophobicContact CD1-SD 3.65Å; L249-M262 HydrophobicContact CD2-CE 4.23Å; L249-M262 HydrophobicContact CD2-SD 3.66Å; L249-M262 HydrophobicContact CG-SD 4.34Å
250	T	56.2	Low	50.4	Low	31 Å²	31	76.2 Å²	76.2	19%	0.19	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.1	-26.6	175.5	58.2	0	0	0	0	115	Y246 E247 L259	Y246-T250 HydrophobicContact CD1-CG2 4.04Å; Y246-T250 HydrophobicContact CD2-CG2 4.21Å; Y246-T250 HydrophobicContact CE1-CG2 3.65Å; Y246-T250 HydrophobicContact CE2-CG2 3.84Å; Y246-T250 HydrophobicContact CG-CG2 4.31Å; Y246-T250 WeakPolarHBondContact O-CG2 3.44Å; Y246-T250 PolarHBondContact O-N 3.27Å; Y246-T250 PolarHBondContact O-OG1 3.26Å; E247-T250 PolarHBondContact O-N 2.82Å; T250-L259 HydrophobicContact CG2-CD1 3.79Å
251	N	51.5	Low	49.5	Very low	90 Å²	90	76.9 Å²	76.9	48%	0.481	38%	0.377	S	S	.	.	S	Bend	trans	-77.4	139.3	178.6	-70.4	-4.6	0	0	0	111.4	E247 Y253	E247-N251 VanDerWaalsContact CG-ND2 3.31Å; E247-N251 WeakPolarHBondContact CG-ND2 3.38Å; E247-N251 WeakPolarHBondContact O-CB 3.45Å; E247-N251 PolarHBondContact O-N 3.31Å; N251-Y253 PolarHBondContact O-N 3.11Å
252	E	47.9	Very low	48.8	Very low	137 Å²	137	74.1 Å²	74.1	64%	0.64	37%	0.371	S	S	*	.	S	Bend	trans	55.1	-46.5	-179.1	-64.1	-160.6	148.7	0	0	118.6
253	Y	38.4	Very low	48.5	Very low	131 Å²	131	77.1 Å²	77.1	51%	0.514	38%	0.378	S	S	.	.	S	Bend	trans	-108.3	8.5	-157	-64.2	-66.2	0	0	0	117.2	K198 N251 T255	K198-Y253 HydrophobicContact CD-CE1 4.32Å; K198-Y253 VanDerWaalsContact CE-CE1 3.45Å; K198-Y253 PolarHBondContact NZ-OH 3.5Å; N251-Y253 PolarHBondContact O-N 3.11Å; Y253-T255 VanDerWaalsContact C-N 3.26Å; Y253-T255 PolarHBondContact O-N 3.44Å
254	G	41.8	Very low	47.7	Very low	23 Å²	23	78.7 Å²	78.7	24%	0.237	39%	0.385	C	S	.	.			trans	64.9	26.5	168.4	0	0	0	0	0	115.1	H256	G254-H256 VanDerWaalsContact C-CE1 3.44Å; G254-H256 VanDerWaalsContact C-ND1 3.27Å; G254-H256 VanDerWaalsContact CA-CE1 3.43Å; G254-H256 WeakPolarHBondContact CA-CE1 3.1Å; G254-H256 WeakPolarHBondContact CA-ND1 3.24Å; G254-H256 PolarHBondContact O-CE1 3.2Å; G254-H256 PolarHBondContact O-N 3.48Å; G254-H256 PolarHBondContact O-ND1 2.65Å
255	T	47.3	Very low	46.3	Very low	33 Å²	33	75.9 Å²	75.9	20%	0.202	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-79.3	10.4	179.6	36.9	0	0	0	0	113.6	L249 Y253 N257 L258 L259	L249-T255 VanDerWaalsContact C-OG1 3.32Å; L249-T255 WeakPolarHBondContact CA-OG1 3.43Å; L249-T255 CarbonylContact O-C 3.5Å; L249-T255 PolarHBondContact O-OG1 2.87Å; L249-T255 VanDerWaalsContact O-OG1 3.06Å; Y253-T255 VanDerWaalsContact C-N 3.26Å; Y253-T255 PolarHBondContact O-N 3.44Å; T255-N257 PolarHBondContact O-N 2.83Å; T255-N257 VanDerWaalsContact O-N 3.11Å; T255-L258 HydrophobicContact CG2-CD1 3.92Å; T255-L258 WeakPolarHBondContact O-CA 3.43Å; T255-L258 WeakPolarHBondContact O-CB 3.35Å; T255-L258 PolarHBondContact O-N 3.48Å; T255-L259 PolarHBondContact O-N 3.31Å
256	H	46.2	Very low	45.2	Very low	7 Å²	7	78.9 Å²	78.9	3%	0.032	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-57.4	-21.3	166.3	57.7	-91	0	0	0	113.3	T214 Q218 L249 G254 L258 P260	T214-H256 WeakPolarHBondContact CB-NE2 3.47Å; T214-H256 WeakPolarHBondContact CG2-CE1 3.46Å; T214-H256 WeakPolarHBondContact CG2-NE2 3.5Å; T214-H256 PolarHBondContact OG1-NE2 2.97Å; Q218-H256 HydrophobicContact CG-CB 4.1Å; Q218-H256 PolarHBondContact NE2-ND1 2.93Å; L249-H256 PolarHBondContact O-N 2.87Å; L249-H256 VanDerWaalsContact O-N 3.17Å; G254-H256 VanDerWaalsContact C-CE1 3.44Å; G254-H256 VanDerWaalsContact C-ND1 3.27Å; G254-H256 VanDerWaalsContact CA-CE1 3.43Å; G254-H256 WeakPolarHBondContact CA-CE1 3.1Å; G254-H256 WeakPolarHBondContact CA-ND1 3.24Å; G254-H256 PolarHBondContact O-CE1 3.2Å; G254-H256 PolarHBondContact O-N 3.48Å; G254-H256 PolarHBondContact O-ND1 2.65Å; H256-L258 VanDerWaalsContact C-N 3.29Å; H256-P260 WeakPolarHBondContact O-CD 3.36Å
257	N	48.9	Very low	44.3	Very low	56 Å²	56	83.3 Å²	83.3	30%	0.299	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-72.8	-21.1	171.3	-70.9	-41.8	0	0	0	112.9	T255 F261	T255-N257 PolarHBondContact O-N 2.83Å; T255-N257 VanDerWaalsContact O-N 3.11Å; N257-F261 WeakPolarHBondContact O-CD2 3.46Å; N257-F261 WeakPolarHBondContact O-CE2 3.27Å
258	L	47.3	Very low	43.1	Very low	84 Å²	84	84 Å²	84	44%	0.44	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-26.2	175.2	-60	179.7	0	0	0	112.6	T255 H256 P260 F261 M262	T255-L258 HydrophobicContact CG2-CD1 3.92Å; T255-L258 WeakPolarHBondContact O-CA 3.43Å; T255-L258 WeakPolarHBondContact O-CB 3.35Å; T255-L258 PolarHBondContact O-N 3.48Å; H256-L258 VanDerWaalsContact C-N 3.29Å; L258-P260 VanDerWaalsContact C-N 3.34Å; L258-F261 WeakPolarHBondContact O-CA 3.46Å; L258-F261 WeakPolarHBondContact O-CB 3.43Å; L258-F261 PolarHBondContact O-N 2.74Å; L258-M262 HydrophobicContact CB-CG 4.39Å; L258-M262 HydrophobicContact CB-SD 4.15Å; L258-M262 PolarHBondContact O-N 2.86Å
259	L	45.5	Very low	42	Very low	2 Å²	2	78.1 Å²	78.1	1%	0.01	43%	0.431	C	S	.	.	H	α-helix	trans	-48.5	-45.6	177.2	-87.8	172.9	0	0	0	113.6	Y246 L249 T250 T255 F261 M262 L263	Y246-L259 HydrophobicContact CD2-CD1 3.67Å; Y246-L259 HydrophobicContact CD2-CD2 4.3Å; Y246-L259 HydrophobicContact CE2-CD1 3.7Å; L249-L259 HydrophobicContact CB-CD1 4.32Å; L249-L259 HydrophobicContact CB-CD2 3.89Å; L249-L259 HydrophobicContact CB-CG 3.86Å; L249-L259 HydrophobicContact CD1-CD2 3.55Å; L249-L259 HydrophobicContact CD1-CG 4.16Å; L249-L259 HydrophobicContact CG-CD2 4.38Å; T250-L259 HydrophobicContact CG2-CD1 3.79Å; T255-L259 PolarHBondContact O-N 3.31Å; L259-F261 PolarHBondContact O-N 3.45Å; L259-M262 PolarHBondContact O-N 3.15Å; L259-L263 HydrophobicContact CD2-CD1 3.92Å; L259-L263 HydrophobicContact CD2-CG 4.12Å; L259-L263 VanDerWaalsContact O-CB 3.31Å; L259-L263 WeakPolarHBondContact O-CB 3.24Å; L259-L263 WeakPolarHBondContact O-CG 3.33Å; L259-L263 PolarHBondContact O-N 3.15Å
260	P	43.2	Very low	41.2	Very low	62 Å²	62	88.5 Å²	88.5	40%	0.403	47%	0.471	S	S	.	.	H	α-helix	trans	-65.6	-14.6	175.9	-24.5	35.4	0	0	0	115.8	H256 L258 H264	H256-P260 WeakPolarHBondContact O-CD 3.36Å; L258-P260 VanDerWaalsContact C-N 3.34Å; P260-H264 WeakPolarHBondContact O-CB 3.28Å
261	F	45.6	Very low	39.9	Very low	121 Å²	121	92.2 Å²	92.2	53%	0.531	50%	0.498	S	S	.	.	H	α-helix	trans	-95.2	-48.5	173.4	-62.8	-87.9	0	0	0	110.1	N257 L258 L259 L263 H264 N265	N257-F261 WeakPolarHBondContact O-CD2 3.46Å; N257-F261 WeakPolarHBondContact O-CE2 3.27Å; L258-F261 WeakPolarHBondContact O-CA 3.46Å; L258-F261 WeakPolarHBondContact O-CB 3.43Å; L258-F261 PolarHBondContact O-N 2.74Å; L259-F261 PolarHBondContact O-N 3.45Å; F261-L263 PolarHBondContact O-N 2.66Å; F261-H264 PolarHBondContact O-N 3.16Å; F261-N265 WeakPolarHBondContact O-CB 3.42Å
262	M	39	Very low	38.8	Very low	109 Å²	109	92.9 Å²	92.9	54%	0.537	51%	0.51	S	S	.	.	H	α-helix	trans	-65	-33.2	-178.8	-65.5	-176.1	71.2	0	0	113.8	L249 L258 L259	L249-M262 HydrophobicContact CD1-CE 3.94Å; L249-M262 HydrophobicContact CD1-SD 3.65Å; L249-M262 HydrophobicContact CD2-CE 4.23Å; L249-M262 HydrophobicContact CD2-SD 3.66Å; L249-M262 HydrophobicContact CG-SD 4.34Å; L258-M262 HydrophobicContact CB-CG 4.39Å; L258-M262 HydrophobicContact CB-SD 4.15Å; L258-M262 PolarHBondContact O-N 2.86Å; L259-M262 PolarHBondContact O-N 3.15Å
263	L	44	Very low	37.9	Very low	119 Å²	119	92.9 Å²	92.9	62%	0.623	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-9	177.3	-66.9	176.9	0	0	0	114	L259 F261	L259-L263 HydrophobicContact CD2-CD1 3.92Å; L259-L263 HydrophobicContact CD2-CG 4.12Å; L259-L263 VanDerWaalsContact O-CB 3.31Å; L259-L263 WeakPolarHBondContact O-CB 3.24Å; L259-L263 WeakPolarHBondContact O-CG 3.33Å; L259-L263 PolarHBondContact O-N 3.15Å; F261-L263 PolarHBondContact O-N 2.66Å
264	H	43.3	Very low	37.6	Very low	158 Å²	158	93.1 Å²	93.1	73%	0.731	52%	0.519	S	S	*	.	S	Bend	trans	-112.3	4.5	-170.1	-130.6	-61.4	0	0	0	113.9	P260 F261 P266	P260-H264 WeakPolarHBondContact O-CB 3.28Å; F261-H264 PolarHBondContact O-N 3.16Å; H264-P266 VanDerWaalsContact C-CD 3.46Å; H264-P266 VanDerWaalsContact O-CD 3.24Å; H264-P266 WeakPolarHBondContact O-CD 3.44Å
265	N	30.7	Very low	37.3	Very low	94 Å²	94	98.7 Å²	98.7	50%	0.503	54%	0.541	S	S	.	.			trans	-121.9	72.5	-167.2	-158.6	2.6	0	0	0	112.2	E121 F261	E121-N265 PolarHBondContact OE1-ND2 2.99Å; F261-N265 WeakPolarHBondContact O-CB 3.42Å
266	P	29.3	Very low	36.5	Very low	101 Å²	101	105.7 Å²	105.7	66%	0.656	57%	0.565	S	S	*	*			trans	-73.1	163	167.9	34.5	-35.7	0	0	0	110.7	H264	H264-P266 VanDerWaalsContact C-CD 3.46Å; H264-P266 VanDerWaalsContact O-CD 3.24Å; H264-P266 WeakPolarHBondContact O-CD 3.44Å
267	V	32	Very low	35.6	Very low	119 Å²	119	112.1 Å²	112.1	72%	0.721	60%	0.6	S	S	*	*			trans	75.8	75.7	170.8	-162	0	0	0	0	115.7
268	S	31.9	Very low	34.9	Very low	111 Å²	111	119.2 Å²	119.2	78%	0.776	62%	0.623	S	S	*	*	S	Bend		-88.8	111.8	107.6	61.5	0	0	0	0	106.8	Y270	S268-Y270 PolarHBondContact O-N 2.62Å
269	G	27.3	Very low	34.1	Very low	47 Å²	47	122.3 Å²	122.3	49%	0.485	64%	0.64	S	S	.	*	S	Bend	trans	-76.4	121.2	-147	0	0	0	0	0	117.5
270	Y	28.6	Very low	33.6	Very low	224 Å²	224	128.8 Å²	128.8	88%	0.878	68%	0.68	S	S	*	*	S	Bend		-136.3	151.7	129.5	-76.4	-73.8	0	0	0	109.1	S268	S268-Y270 PolarHBondContact O-N 2.62Å
271	S	28.7	Very low	33.6	Very low	109 Å²	109	132.7 Å²	132.7	76%	0.762	70%	0.695	S	S	*	*			trans	51.9	94.6	168.5	-58.4	0	0	0	0	117.8	I273	S271-I273 PolarHBondContact O-N 3Å; S271-I273 VanDerWaalsContact O-N 3.12Å
272	S	26.8	Very low	33.1	Very low	103 Å²	103	132.4 Å²	132.4	72%	0.72	71%	0.708	S	S	*	*			trans	-65.8	103.5	168.6	54.8	0	0	0	0	112.4
273	I	30.8	Very low	32.7	Very low	138 Å²	138	132.2 Å²	132.2	71%	0.708	72%	0.718	S	S	*	*			trans	-84.7	112	167.4	-63.1	174.5	0	0	0	108.6	S271 I275	S271-I273 PolarHBondContact O-N 3Å; S271-I273 VanDerWaalsContact O-N 3.12Å; I273-I275 HydrophobicContact CG2-CG1 4.17Å; I273-I275 PolarHBondContact O-N 3.17Å; I273-I275 VanDerWaalsContact O-N 3.14Å
274	Q	30.6	Very low	32.5	Very low	136 Å²	136	136.3 Å²	136.3	64%	0.636	73%	0.731	S	S	*	*			trans	-79.1	86.2	-178.3	-70.9	-80.3	0.5	0	0	111.4	Y276	Q274-Y276 HydrophobicContact CB-CD2 4.08Å; Q274-Y276 HydrophobicContact CB-CE2 4.09Å; Q274-Y276 HydrophobicContact CG-CE2 4.45Å; Q274-Y276 PolarHBondContact O-N 3.3Å; Q274-Y276 VanDerWaalsContact O-N 3.14Å
275	I	35.5	Very low	32.5	Very low	139 Å²	139	137.8 Å²	137.8	71%	0.713	74%	0.738	S	S	*	*			trans	-82.3	87.9	168.4	-54.7	-175.3	0	0	0	109.3	I273	I273-I275 HydrophobicContact CG2-CG1 4.17Å; I273-I275 PolarHBondContact O-N 3.17Å; I273-I275 VanDerWaalsContact O-N 3.14Å
276	Y	30.3	Very low	33.1	Very low	180 Å²	180	139.3 Å²	139.3	71%	0.706	76%	0.755	S	S	*	*			trans	-67.8	159.4	167.7	-86	-95	0	0	0	111.7	Q274	Q274-Y276 HydrophobicContact CB-CD2 4.08Å; Q274-Y276 HydrophobicContact CB-CE2 4.09Å; Q274-Y276 HydrophobicContact CG-CE2 4.45Å; Q274-Y276 PolarHBondContact O-N 3.3Å; Q274-Y276 VanDerWaalsContact O-N 3.14Å
277	N	28.8	Very low	34.4	Very low	143 Å²	143	145.1 Å²	145.1	77%	0.765	76%	0.764	S	S	*	*			trans	69.1	95.1	173.5	-71.5	-30	0	0	0	118.5
278	R	32.8	Very low	35.7	Very low	204 Å²	204	151 Å²	151	77%	0.77	77%	0.773	S	S	*	*			trans	-127.8	33.9	138.4	-146.7	179.6	-164.8	179.2	7.1	113.2	T280	R278-T280 VanDerWaalsContact C-N 3.32Å; R278-T280 PolarHBondContact O-N 2.89Å
279	N	32.3	Very low	37.7	Very low	150 Å²	150	157.4 Å²	157.4	80%	0.802	78%	0.78	S	S	*	*			trans	-86.2	40	-175.9	-81	-5.8	0	0	0	114.6
280	T	34.9	Very low	40	Very low	138 Å²	138	164.9 Å²	164.9	85%	0.847	80%	0.799	S	S	*	*			trans	-147.1	38.9	177.3	48.5	0	0	0	0	114.9	R278	R278-T280 VanDerWaalsContact C-N 3.32Å; R278-T280 PolarHBondContact O-N 2.89Å
281	I	42.7	Very low	42.5	Very low	143 Å²	143	158.4 Å²	158.4	73%	0.733	79%	0.792	S	S	*	*	S	Bend	trans	-127	130.5	159.9	-58.6	-178.7	0	0	0	109.5	S283	I281-S283 PolarHBondContact O-N 3.38Å
282	S	34.4	Very low	45.3	Very low	115 Å²	115	164.5 Å²	164.5	80%	0.804	80%	0.798	S	S	*	*			trans	-49.3	120.9	-167.3	-175.2	0	0	0	0	114.9	K284	S282-K284 PolarHBondContact O-N 3.31Å
283	S	31.5	Very low	48.2	Very low	105 Å²	105	164.5 Å²	164.5	73%	0.734	79%	0.794	S	S	*	*	S	Bend	trans	-73.2	106.3	173.6	49.2	0	0	0	0	111.5	I281	I281-S283 PolarHBondContact O-N 3.38Å
284	K	40.1	Very low	51.2	Low	205 Å²	205	164 Å²	164	89%	0.891	80%	0.797	S	S	*	*			trans	-174.7	25.2	156.8	-103.3	148.6	-167.5	176.5	0	117.1	S282	S282-K284 PolarHBondContact O-N 3.31Å
285	Q	42.6	Very low	54.4	Low	189 Å²	189	159.6 Å²	159.6	88%	0.883	78%	0.776	S	S	*	*			trans	-132.3	37.4	179.3	-104.1	-178.5	29.2	0	0	116.4	R287	Q285-R287 PolarHBondContact O-N 2.92Å
286	C	42.5	Very low	57.3	Low	127 Å²	127	155.8 Å²	155.8	86%	0.858	76%	0.762	S	S	*	*			trans	-60.4	119.2	160.6	-178.1	0	0	0	0	109.4	R288	C286-R288 PolarHBondContact O-N 3.3Å
287	R	56.9	Low	60.5	Low	223 Å²	223	152.9 Å²	152.9	84%	0.842	76%	0.758	S	S	*	*			trans	-66.9	91.6	-176.3	-65.2	-175.6	-174.8	178.7	4.2	110.4	Q285 R289	Q285-R287 PolarHBondContact O-N 2.92Å; R287-R289 PolarHBondContact O-N 3.45Å
288	R	60.3	Low	63.8	Low	242 Å²	242	153.8 Å²	153.8	91%	0.913	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-50.2	126.3	171.3	-79.8	-174.4	171.9	179.5	-2.8	109.4	C286 K290	C286-R288 PolarHBondContact O-N 3.3Å; R288-K290 PolarHBondContact O-N 2.86Å
289	R	72.5	Confident	66.9	Low	246 Å²	246	145.9 Å²	145.9	93%	0.928	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-56.9	136	171.5	-78.3	178.8	162.8	171.7	-6.3	109	R287 A291	R287-R289 PolarHBondContact O-N 3.45Å; R289-A291 PolarHBondContact O-N 2.78Å
290	K	75.6	Confident	70.1	Confident	204 Å²	204	141.5 Å²	141.5	89%	0.887	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-58.3	135.4	174.3	-159.1	81.4	164.1	-177	0	108.3	R288	R288-K290 PolarHBondContact O-N 2.86Å
291	A	82.7	Confident	73.1	Confident	88 Å²	88	140.3 Å²	140.3	73%	0.727	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-59.6	145	177.3	0	0	0	0	0	110.9	R289 T293	R289-A291 PolarHBondContact O-N 2.78Å; A291-T293 PolarHBondContact O-N 3.48Å
292	R	86.2	Confident	75.7	Confident	236 Å²	236	134.5 Å²	134.5	89%	0.891	67%	0.67	S	S	*	*			trans	-75.9	114.8	179.5	-171.4	-178.5	-167.3	173	4.6	109.5
293	T	88	Confident	78.8	Confident	103 Å²	103	129 Å²	129	63%	0.632	63%	0.631	S	S	*	*			trans	-72.2	139	171.9	54.2	0	0	0	0	110.8	A291	A291-T293 PolarHBondContact O-N 3.48Å
294	V	94	Very high	82	Confident	129 Å²	129	126.4 Å²	126.4	78%	0.782	61%	0.608	S	S	*	*			trans	-111.6	145.3	168.4	-174.9	0	0	0	0	107.5
295	F	97.2	Very high	84.7	Confident	42 Å²	42	122.6 Å²	122.6	18%	0.184	59%	0.593	C	S	.	*			trans	-86.1	146.6	174.2	-58.4	-56.3	0	0	0	109.7	Q299 L300 L303 L327 Q331 W335	F295-Q299 HydrophobicContact CB-CB 4.07Å; F295-L300 HydrophobicContact CB-CD2 3.95Å; F295-L300 HydrophobicContact CB-CG 4.05Å; F295-L300 HydrophobicContact CD2-CD2 4.18Å; F295-L303 HydrophobicContact CD2-CD1 4.45Å; F295-L327 HydrophobicContact CD1-CD1 4.29Å; F295-L327 HydrophobicContact CD1-CD2 3.64Å; F295-L327 HydrophobicContact CE1-CD1 4.26Å; F295-L327 HydrophobicContact CE1-CD2 3.6Å; F295-Q331 HydrophobicContact CE1-CB 4.1Å; F295-Q331 HydrophobicContact CE1-CG 4.11Å; F295-Q331 HydrophobicContact CZ-CB 3.99Å; F295-Q331 HydrophobicContact CZ-CG 4.15Å; F295-W335 AromaticContact CD2-CD1 3.93Å; F295-W335 HydrophobicContact CE2-CB 4.38Å; F295-W335 AromaticContact CE2-CD1 3.79Å; F295-W335 HydrophobicContact CE2-CG 4.45Å
296	S	97.6	Very high	87.4	Confident	59 Å²	59	115.4 Å²	115.4	41%	0.413	56%	0.558	S	S	.	*			trans	-69.7	160.1	175.1	68.2	0	0	0	0	111.6	Q298 Q299 L300	S296-Q298 PolarHBondContact O-N 3.5Å; S296-Q299 VanDerWaalsContact N-OE1 3.14Å; S296-Q299 WeakPolarHBondContact O-CA 3.32Å; S296-Q299 WeakPolarHBondContact O-CB 3.44Å; S296-Q299 PolarHBondContact O-N 3.27Å; S296-Q299 WeakPolarHBondContact OG-CG 3.42Å; S296-Q299 PolarHBondContact OG-N 2.95Å; S296-L300 WeakPolarHBondContact O-CG 3.47Å; S296-L300 PolarHBondContact O-N 3.1Å
297	D	97.5	Very high	90	Very high	120 Å²	120	109.5 Å²	109.5	64%	0.642	52%	0.517	S	S	*	.	H	α-helix	trans	-60.3	-34.6	180	-56.6	-53.7	0	0	0	112.2	Q299 L300 N301	D297-Q299 PolarHBondContact O-N 3.36Å; D297-L300 PolarHBondContact O-N 3.43Å; D297-N301 VanDerWaalsContact O-CB 3.31Å; D297-N301 WeakPolarHBondContact O-CB 3.23Å; D297-N301 PolarHBondContact O-N 3.07Å; D297-N301 PolarHBondContact O-ND2 3.33Å
298	Q	97.7	Very high	92	Very high	161 Å²	161	104.9 Å²	104.9	75%	0.752	51%	0.505	S	S	*	.	H	α-helix	trans	-60.2	-42.6	171.4	-175.5	-176.3	-1.8	0	0	112.2	S296 G302	S296-Q298 PolarHBondContact O-N 3.5Å; Q298-G302 PolarHBondContact O-N 3.12Å; Q298-G302 VanDerWaalsContact O-N 3.09Å
299	Q	98.3	Very high	93.7	Very high	38 Å²	38	98.2 Å²	98.2	18%	0.178	49%	0.492	C	S	.	.	H	α-helix	trans	-68.8	-41.8	176.2	-71.2	175.5	-30	0	0	111.4	F295 S296 D297 G302 L303 L325	F295-Q299 HydrophobicContact CB-CB 4.07Å; S296-Q299 VanDerWaalsContact N-OE1 3.14Å; S296-Q299 WeakPolarHBondContact O-CA 3.32Å; S296-Q299 WeakPolarHBondContact O-CB 3.44Å; S296-Q299 PolarHBondContact O-N 3.27Å; S296-Q299 WeakPolarHBondContact OG-CG 3.42Å; S296-Q299 PolarHBondContact OG-N 2.95Å; D297-Q299 PolarHBondContact O-N 3.36Å; Q299-G302 PolarHBondContact O-N 2.93Å; Q299-L303 WeakPolarHBondContact O-CB 3.27Å; Q299-L303 WeakPolarHBondContact O-CD1 3.49Å; Q299-L303 WeakPolarHBondContact O-CG 3.26Å; Q299-L303 PolarHBondContact O-N 2.81Å; Q299-L325 PolarHBondContact NE2-O 2.91Å
300	L	98.1	Very high	94.9	Very high	58 Å²	58	88.9 Å²	88.9	30%	0.304	46%	0.458	S	S	.	.	H	α-helix	trans	-62.5	-46.2	177.1	-68.9	174.2	0	0	0	111.5	F295 S296 D297 G302 L303 E304	F295-L300 HydrophobicContact CB-CD2 3.95Å; F295-L300 HydrophobicContact CB-CG 4.05Å; F295-L300 HydrophobicContact CD2-CD2 4.18Å; S296-L300 WeakPolarHBondContact O-CG 3.47Å; S296-L300 PolarHBondContact O-N 3.1Å; D297-L300 PolarHBondContact O-N 3.43Å; L300-G302 PolarHBondContact O-N 3.19Å; L300-L303 PolarHBondContact O-N 3.3Å; L300-E304 WeakPolarHBondContact O-CB 3.42Å; L300-E304 PolarHBondContact O-N 3.41Å
301	N	98	Very high	96	Very high	113 Å²	113	82.5 Å²	82.5	60%	0.604	43%	0.432	S	S	*	.	H	α-helix	trans	-62.7	-42.5	177.6	-68.7	-17.9	0	0	0	111.7	D297 E304 H305	D297-N301 VanDerWaalsContact O-CB 3.31Å; D297-N301 WeakPolarHBondContact O-CB 3.23Å; D297-N301 PolarHBondContact O-N 3.07Å; D297-N301 PolarHBondContact O-ND2 3.33Å; N301-E304 PolarHBondContact O-N 3.49Å; N301-H305 WeakPolarHBondContact O-CB 3.25Å; N301-H305 PolarHBondContact O-N 3.41Å
302	G	98.2	Very high	96.7	Very high	21 Å²	21	86.4 Å²	86.4	22%	0.216	43%	0.429	C	S	.	.	H	α-helix	trans	-65.9	-35.9	176.1	0	0	0	0	0	113.9	Q298 Q299 L300 R306	Q298-G302 PolarHBondContact O-N 3.12Å; Q298-G302 VanDerWaalsContact O-N 3.09Å; Q299-G302 PolarHBondContact O-N 2.93Å; L300-G302 PolarHBondContact O-N 3.19Å; G302-R306 PolarHBondContact O-N 3.28Å
303	L	98.7	Very high	97.3	Very high	0 Å²	0	75.9 Å²	75.9	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-69.4	-42.7	173.8	-73.6	164.6	0	0	0	111.7	F295 Q299 L300 F307 L321 L325 L327 V332 W335 F336	F295-L303 HydrophobicContact CD2-CD1 4.45Å; Q299-L303 WeakPolarHBondContact O-CB 3.27Å; Q299-L303 WeakPolarHBondContact O-CD1 3.49Å; Q299-L303 WeakPolarHBondContact O-CG 3.26Å; Q299-L303 PolarHBondContact O-N 2.81Å; L300-L303 PolarHBondContact O-N 3.3Å; L303-F307 WeakPolarHBondContact O-CB 3.37Å; L303-F307 PolarHBondContact O-N 3.13Å; L303-L321 HydrophobicContact CD2-CD2 4.08Å; L303-L325 HydrophobicContact CD2-CD1 3.98Å; L303-L325 HydrophobicContact CG-CD1 3.73Å; L303-L327 HydrophobicContact CD1-CD1 3.94Å; L303-L327 HydrophobicContact CD2-CD1 4.42Å; L303-L327 HydrophobicContact CG-CD1 4.43Å; L303-V332 HydrophobicContact CD2-CG1 4.26Å; L303-V332 HydrophobicContact CD2-CG2 4.35Å; L303-W335 VanDerWaalsContact C-CH2 3.5Å; L303-W335 HydrophobicContact CB-CD2 3.85Å; L303-W335 HydrophobicContact CB-CE3 3.87Å; L303-W335 HydrophobicContact CB-CH2 3.77Å; L303-W335 HydrophobicContact CB-CZ2 3.71Å; L303-W335 HydrophobicContact CB-CZ3 3.84Å; L303-W335 HydrophobicContact CD1-CB 4.4Å; L303-W335 HydrophobicContact CD1-CD2 3.9Å; L303-W335 HydrophobicContact CD1-CG 3.78Å; L303-W335 HydrophobicContact CD2-CD2 4.25Å; L303-W335 HydrophobicContact CD2-CE3 4.11Å; L303-W335 HydrophobicContact CD2-CG 4.49Å; L303-W335 HydrophobicContact CG-CD2 4.22Å; L303-W335 HydrophobicContact CG-CE3 4.39Å; L303-W335 WeakPolarHBondContact O-CH2 3.39Å; L303-W335 WeakPolarHBondContact O-CZ3 3.39Å; L303-F336 HydrophobicContact CD2-CD2 4.44Å; L303-F336 HydrophobicContact CD2-CE2 4.01Å
304	E	98.5	Very high	97.8	Very high	51 Å²	51	73.5 Å²	73.5	24%	0.238	38%	0.378	C	S	.	.	H	α-helix	trans	-67.4	-45.9	-179.5	-164.7	66.7	-156.2	0	0	111.6	L300 N301 R306 F307 E308 W335 R339	L300-E304 WeakPolarHBondContact O-CB 3.42Å; L300-E304 PolarHBondContact O-N 3.41Å; N301-E304 PolarHBondContact O-N 3.49Å; E304-R306 PolarHBondContact O-N 2.89Å; E304-F307 CarbonylContact O-C 3.57Å; E304-F307 WeakPolarHBondContact O-CA 3.36Å; E304-F307 VanDerWaalsContact O-CB 3.28Å; E304-F307 WeakPolarHBondContact O-CB 3.5Å; E304-F307 PolarHBondContact O-N 3.14Å; E304-E308 WeakPolarHBondContact O-CG 3.49Å; E304-E308 PolarHBondContact O-N 3.33Å; E304-W335 HydrophobicContact CB-CH2 4.47Å; E304-W335 WeakPolarHBondContact OE2-CH2 3.43Å; E304-W335 WeakPolarHBondContact OE2-CZ2 3.42Å; E304-R339 IonicContact OE1-CZ 2.65Å; E304-R339 IonicContact OE1-NE 2.68Å; E304-R339 PolarHBondContact OE1-NE 3.22Å; E304-R339 IonicContact OE1-NH2 3.51Å; E304-R339 PolarHBondContact OE1-NH2 2.63Å; E304-R339 VanDerWaalsContact OE2-CD 3.3Å; E304-R339 WeakPolarHBondContact OE2-CD 3.39Å; E304-R339 IonicContact OE2-CZ 2.65Å; E304-R339 IonicContact OE2-NE 2.62Å; E304-R339 PolarHBondContact OE2-NE 3.06Å
305	H	98.1	Very high	98	Very high	124 Å²	124	71.1 Å²	71.1	57%	0.574	36%	0.363	S	S	*	.	H	α-helix	trans	-60.3	-40.1	177.8	-179.8	56.8	0	0	0	113.2	N301 F307 E308 T309	N301-H305 WeakPolarHBondContact O-CB 3.25Å; N301-H305 PolarHBondContact O-N 3.41Å; H305-F307 VanDerWaalsContact C-N 3.3Å; H305-E308 IonicContact ND1-OE2 2.73Å; H305-T309 PolarHBondContact O-N 2.97Å; H305-T309 PolarHBondContact O-OG1 3.46Å
306	R	98.2	Very high	98	Very high	39 Å²	39	73.4 Å²	73.4	15%	0.147	38%	0.383	C	S	.	.	H	α-helix	trans	-73.8	-21.4	172.7	-171.2	59.6	179.4	-95.9	8.8	112.3	G302 E304 T309 Q310 L313 E317 E320 L321 F336	G302-R306 PolarHBondContact O-N 3.28Å; E304-R306 PolarHBondContact O-N 2.89Å; R306-T309 WeakPolarHBondContact CA-OG1 3.35Å; R306-T309 PolarHBondContact O-OG1 3.43Å; R306-Q310 VanDerWaalsContact CZ-OE1 3.29Å; R306-Q310 CarbonylContact O-C 3.55Å; R306-Q310 WeakPolarHBondContact O-CA 3.36Å; R306-Q310 PolarHBondContact O-N 2.88Å; R306-L313 HydrophobicContact CG-CD2 4Å; R306-E317 IonicContact NH2-OE1 2.69Å; R306-E317 PolarHBondContact NH2-OE1 3.45Å; R306-E320 IonicContact CZ-OE2 2.63Å; R306-E320 IonicContact NH1-OE1 3.74Å; R306-E320 IonicContact NH1-OE2 2.8Å; R306-E320 PolarHBondContact NH1-OE2 2.92Å; R306-E320 IonicContact NH2-OE2 2.82Å; R306-L321 HydrophobicContact CB-CD1 4.12Å; R306-L321 HydrophobicContact CB-CD2 4.01Å; R306-L321 HydrophobicContact CG-CD1 4.31Å; R306-L321 HydrophobicContact CG-CD2 3.92Å; R306-F336 HydrophobicContact CB-CZ 4.36Å; R306-F336 HydrophobicContact CG-CZ 4.31Å
307	F	98.5	Very high	98.1	Very high	2 Å²	2	72.9 Å²	72.9	1%	0.009	37%	0.374	C	S	.	.	H	α-helix	trans	-76	-40.8	173.8	-173.7	-96.1	0	0	0	113	L303 E304 H305 T309 Q310 H311 W335 F336 R339 R340 H343	L303-F307 WeakPolarHBondContact O-CB 3.37Å; L303-F307 PolarHBondContact O-N 3.13Å; E304-F307 CarbonylContact O-C 3.57Å; E304-F307 WeakPolarHBondContact O-CA 3.36Å; E304-F307 VanDerWaalsContact O-CB 3.28Å; E304-F307 WeakPolarHBondContact O-CB 3.5Å; E304-F307 PolarHBondContact O-N 3.14Å; H305-F307 VanDerWaalsContact C-N 3.3Å; F307-T309 VanDerWaalsContact C-N 3.33Å; F307-T309 PolarHBondContact O-N 3.27Å; F307-Q310 CarbonylContact O-C 3.44Å; F307-Q310 PolarHBondContact O-N 3.01Å; F307-H311 AromaticContact CD1-CD2 3.73Å; F307-H311 AromaticContact CE1-CD2 3.31Å; F307-H311 WeakPolarHBondContact CE1-CD2 3.37Å; F307-H311 AromaticContact CE1-NE2 3.74Å; F307-H311 HydrophobicContact CE2-CB 4.45Å; F307-H311 AromaticContact CE2-CD2 3.85Å; F307-H311 AromaticContact CZ-CD2 3.38Å; F307-H311 WeakPolarHBondContact CZ-CD2 3.48Å; F307-H311 PolarHBondContact O-CD2 2.97Å; F307-H311 PolarHBondContact O-N 3.25Å; F307-W335 HydrophobicContact CB-CH2 3.96Å; F307-W335 HydrophobicContact CB-CZ3 3.89Å; F307-W335 HydrophobicContact CD2-CZ3 4.1Å; F307-W335 HydrophobicContact CG-CH2 4.33Å; F307-W335 HydrophobicContact CG-CZ3 4.2Å; F307-F336 HydrophobicContact CB-CE1 4.15Å; F307-F336 HydrophobicContact CB-CZ 4.28Å; F307-F336 AromaticContact CD2-CD1 3.81Å; F307-F336 HydrophobicContact CD2-CD1 3.81Å; F307-F336 AromaticContact CD2-CE1 3.78Å; F307-F336 HydrophobicContact CD2-CE1 3.78Å; F307-F336 HydrophobicContact CE2-CD1 4.46Å; F307-F336 HydrophobicContact CG-CE1 4.47Å; F307-R339 HydrophobicContact CB-CG 4.44Å; F307-R339 HydrophobicContact CD1-CG 3.57Å; F307-R339 HydrophobicContact CD2-CB 4.03Å; F307-R339 HydrophobicContact CD2-CG 3.55Å; F307-R339 HydrophobicContact CE1-CG 3.56Å; F307-R339 HydrophobicContact CE2-CB 3.85Å; F307-R339 HydrophobicContact CE2-CG 3.53Å; F307-R339 HydrophobicContact CG-CG 3.58Å; F307-R339 HydrophobicContact CZ-CB 4.19Å; F307-R339 HydrophobicContact CZ-CG 3.54Å; F307-R340 HydrophobicContact CE2-CG 3.76Å; F307-R340 HydrophobicContact CZ-CG 4.15Å; F307-H343 HydrophobicContact CE1-CB 4.23Å; F307-H343 AromaticContact CE1-ND1 3.88Å; F307-H343 HydrophobicContact CZ-CB 4.05Å; F307-H343 AromaticContact CZ-ND1 3.88Å
308	E	97.7	Very high	98.1	Very high	127 Å²	127	69.1 Å²	69.1	59%	0.593	35%	0.35	S	S	*	.	H	α-helix	trans	-58.6	-44.3	176.4	-71.1	171.9	155.3	0	0	111.7	E304 H305	E304-E308 WeakPolarHBondContact O-CG 3.49Å; E304-E308 PolarHBondContact O-N 3.33Å; H305-E308 IonicContact ND1-OE2 2.73Å
309	T	97.4	Very high	98.1	Very high	102 Å²	102	64.9 Å²	64.9	63%	0.626	33%	0.332	S	S	*	.	H	α-helix	trans	-74.8	-37.7	175.2	45.9	0	0	0	0	112.5	H305 R306 F307	H305-T309 PolarHBondContact O-N 2.97Å; H305-T309 PolarHBondContact O-OG1 3.46Å; R306-T309 WeakPolarHBondContact CA-OG1 3.35Å; R306-T309 PolarHBondContact O-OG1 3.43Å; F307-T309 VanDerWaalsContact C-N 3.33Å; F307-T309 PolarHBondContact O-N 3.27Å
310	Q	97.7	Very high	98.1	Very high	49 Å²	49	66.6 Å²	66.6	23%	0.229	34%	0.34	C	S	.	.			trans	-148.7	94.4	-169.7	-169	-175.6	4.3	0	0	113.9	R306 F307 Y312 L313 E317 F336	R306-Q310 VanDerWaalsContact CZ-OE1 3.29Å; R306-Q310 CarbonylContact O-C 3.55Å; R306-Q310 WeakPolarHBondContact O-CA 3.36Å; R306-Q310 PolarHBondContact O-N 2.88Å; F307-Q310 CarbonylContact O-C 3.44Å; F307-Q310 PolarHBondContact O-N 3.01Å; Q310-Y312 WeakPolarHBondContact CG-O 3.49Å; Q310-Y312 PolarHBondContact NE2-O 3.3Å; Q310-Y312 PolarHBondContact O-N 3.43Å; Q310-L313 HydrophobicContact CB-CD2 4.27Å; Q310-L313 HydrophobicContact CG-CD2 3.99Å; Q310-E317 VanDerWaalsContact CD-OE1 3.28Å; Q310-E317 PolarHBondContact NE2-OE1 3.47Å; Q310-E317 PolarHBondContact NE2-OE2 3.2Å; Q310-E317 PolarHBondContact OE1-OE1 3.34Å; Q310-F336 WeakPolarHBondContact O-CE1 3.39Å
311	H	97.7	Very high	98.2	Very high	70 Å²	70	64.1 Å²	64.1	32%	0.324	33%	0.327	S	S	.	.	S	Bend	trans	-60.7	-16.2	-180	-63	125.7	0	0	0	116.5	F307 R340 H343	F307-H311 AromaticContact CD1-CD2 3.73Å; F307-H311 AromaticContact CE1-CD2 3.31Å; F307-H311 WeakPolarHBondContact CE1-CD2 3.37Å; F307-H311 AromaticContact CE1-NE2 3.74Å; F307-H311 HydrophobicContact CE2-CB 4.45Å; F307-H311 AromaticContact CE2-CD2 3.85Å; F307-H311 AromaticContact CZ-CD2 3.38Å; F307-H311 WeakPolarHBondContact CZ-CD2 3.48Å; F307-H311 PolarHBondContact O-CD2 2.97Å; F307-H311 PolarHBondContact O-N 3.25Å; H311-R340 WeakPolarHBondContact O-CD 3.42Å; H311-R340 PolarHBondContact O-NH1 3.48Å; H311-H343 AromaticContact CD2-CE1 3.97Å; H311-H343 AromaticContact CD2-ND1 3.71Å; H311-H343 AromaticContact CE1-CE1 3.52Å; H311-H343 AromaticContact NE2-CE1 3.24Å; H311-H343 PolarHBondContact NE2-CE1 2.79Å; H311-H343 AromaticContact NE2-ND1 3.4Å; H311-H343 PolarHBondContact NE2-ND1 3.34Å
312	Y	98.4	Very high	98.2	Very high	171 Å²	171	58.8 Å²	58.8	67%	0.671	30%	0.299	S	S	*	.	S	Bend	trans	-139.8	115.5	-177.2	-65	-92.3	0	0	0	110.9	Q310	Q310-Y312 WeakPolarHBondContact CG-O 3.49Å; Q310-Y312 PolarHBondContact NE2-O 3.3Å; Q310-Y312 PolarHBondContact O-N 3.43Å
313	L	98.1	Very high	98.2	Very high	15 Å²	15	63.3 Å²	63.3	8%	0.079	32%	0.318	C	S	.	.			trans	-94.9	132.1	177	-52.9	-175.8	0	0	0	111.7	R306 Q310 E317 R318 L321 V332 F336	R306-L313 HydrophobicContact CG-CD2 4Å; Q310-L313 HydrophobicContact CB-CD2 4.27Å; Q310-L313 HydrophobicContact CG-CD2 3.99Å; L313-E317 HydrophobicContact CB-CB 4.24Å; L313-E317 HydrophobicContact CD2-CB 4.47Å; L313-R318 HydrophobicContact CB-CB 4.36Å; L313-R318 HydrophobicContact CD1-CG 4.48Å; L313-R318 PolarHBondContact O-NH2 3.3Å; L313-L321 HydrophobicContact CD1-CB 4.49Å; L313-L321 HydrophobicContact CD1-CD2 3.75Å; L313-V332 HydrophobicContact CD1-CG1 4.12Å; L313-F336 HydrophobicContact CD1-CD1 4.44Å; L313-F336 HydrophobicContact CD1-CD2 4.15Å; L313-F336 HydrophobicContact CD1-CE1 4.04Å; L313-F336 HydrophobicContact CD1-CE2 3.74Å; L313-F336 HydrophobicContact CD1-CZ 3.68Å; L313-F336 HydrophobicContact CD2-CE1 4.12Å; L313-F336 HydrophobicContact CD2-CZ 4.26Å; L313-F336 HydrophobicContact CG-CD1 4.12Å; L313-F336 HydrophobicContact CG-CE1 3.79Å; L313-F336 HydrophobicContact CG-CE2 4.39Å; L313-F336 HydrophobicContact CG-CZ 3.95Å
314	S	98.1	Very high	98.2	Very high	53 Å²	53	70.5 Å²	70.5	37%	0.371	35%	0.345	S	S	.	.			trans	-63.5	172.9	162	70.9	0	0	0	0	111.1	P316 E317 R318	S314-P316 WeakPolarHBondContact OG-CD 3.48Å; S314-E317 WeakPolarHBondContact CB-OE2 3.43Å; S314-E317 PolarHBondContact N-OE2 3.4Å; S314-E317 VanDerWaalsContact OG-CD 3.27Å; S314-E317 WeakPolarHBondContact OG-CG 3.26Å; S314-E317 PolarHBondContact OG-OE2 3.36Å; S314-R318 WeakPolarHBondContact O-CB 3.41Å; S314-R318 PolarHBondContact O-N 3.37Å; S314-R318 VanDerWaalsContact O-N 3.16Å; S314-R318 PolarHBondContact O-NH2 3.38Å
315	T	97.7	Very high	98.1	Very high	78 Å²	78	69 Å²	69	48%	0.479	34%	0.339	S	S	.	.	H	α-helix	trans	-61.4	-50.9	179.1	-54.9	0	0	0	0	113.9	E317 R318 I319	T315-E317 PolarHBondContact O-N 2.85Å; T315-R318 WeakPolarHBondContact O-CB 3.28Å; T315-R318 PolarHBondContact O-N 2.83Å; T315-R318 VanDerWaalsContact O-N 3.15Å; T315-I319 HydrophobicContact CG2-CD1 4.07Å; T315-I319 WeakPolarHBondContact O-CG1 3.19Å; T315-I319 PolarHBondContact O-N 3.28Å; T315-I319 VanDerWaalsContact O-N 3.13Å
316	P	98.2	Very high	98.1	Very high	91 Å²	91	70.1 Å²	70.1	59%	0.591	35%	0.349	S	S	*	.	H	α-helix	trans	-61.7	-41.6	-179.4	22.8	-33.7	0	0	0	113	S314 R318 I319 E320	S314-P316 WeakPolarHBondContact OG-CD 3.48Å; P316-R318 VanDerWaalsContact C-N 3.25Å; P316-R318 PolarHBondContact O-N 2.9Å; P316-I319 PolarHBondContact O-N 3.02Å; P316-E320 WeakPolarHBondContact O-CB 3.23Å; P316-E320 PolarHBondContact O-N 3.46Å
317	E	98.4	Very high	98.1	Very high	48 Å²	48	69.1 Å²	69.1	22%	0.224	35%	0.347	C	S	.	.	H	α-helix	trans	-63.5	-31.4	176.6	-63.2	171.9	113.2	0	0	113	R306 Q310 L313 S314 T315 L321	R306-E317 IonicContact NH2-OE1 2.69Å; R306-E317 PolarHBondContact NH2-OE1 3.45Å; Q310-E317 VanDerWaalsContact CD-OE1 3.28Å; Q310-E317 PolarHBondContact NE2-OE1 3.47Å; Q310-E317 PolarHBondContact NE2-OE2 3.2Å; Q310-E317 PolarHBondContact OE1-OE1 3.34Å; L313-E317 HydrophobicContact CB-CB 4.24Å; L313-E317 HydrophobicContact CD2-CB 4.47Å; S314-E317 WeakPolarHBondContact CB-OE2 3.43Å; S314-E317 PolarHBondContact N-OE2 3.4Å; S314-E317 VanDerWaalsContact OG-CD 3.27Å; S314-E317 WeakPolarHBondContact OG-CG 3.26Å; S314-E317 PolarHBondContact OG-OE2 3.36Å; T315-E317 PolarHBondContact O-N 2.85Å; E317-L321 WeakPolarHBondContact O-CB 3.31Å; E317-L321 PolarHBondContact O-N 3.47Å
318	R	98.5	Very high	98.1	Very high	40 Å²	40	71.6 Å²	71.6	15%	0.151	36%	0.364	C	S	.	.	H	α-helix	trans	-71.9	-36.7	176.7	-155	-179.3	-46.6	119.4	10.7	111.6	L313 S314 T315 P316 A322 E329 V332	L313-R318 HydrophobicContact CB-CB 4.36Å; L313-R318 HydrophobicContact CD1-CG 4.48Å; L313-R318 PolarHBondContact O-NH2 3.3Å; S314-R318 WeakPolarHBondContact O-CB 3.41Å; S314-R318 PolarHBondContact O-N 3.37Å; S314-R318 VanDerWaalsContact O-N 3.16Å; S314-R318 PolarHBondContact O-NH2 3.38Å; T315-R318 WeakPolarHBondContact O-CB 3.28Å; T315-R318 PolarHBondContact O-N 2.83Å; T315-R318 VanDerWaalsContact O-N 3.15Å; P316-R318 VanDerWaalsContact C-N 3.25Å; P316-R318 PolarHBondContact O-N 2.9Å; R318-A322 WeakPolarHBondContact O-CB 2.8Å; R318-A322 PolarHBondContact O-N 3.1Å; R318-E329 HydrophobicContact CB-CG 4.15Å; R318-E329 WeakPolarHBondContact CD-OE1 3.48Å; R318-E329 HydrophobicContact CG-CG 3.91Å; R318-E329 IonicContact CZ-OE1 2.72Å; R318-E329 IonicContact NE-OE1 3.1Å; R318-E329 IonicContact NH1-OE1 3.87Å; R318-E329 PolarHBondContact NH1-OE1 3.01Å; R318-V332 HydrophobicContact CG-CB 4.05Å; R318-V332 HydrophobicContact CG-CG1 3.72Å
319	I	98.4	Very high	98.1	Very high	73 Å²	73	68.7 Å²	68.7	37%	0.374	35%	0.351	S	S	.	.	H	α-helix	trans	-69.2	-44.7	173.8	-63.9	165.3	0	0	0	110.1	T315 P316 L321 A322 N323 E329	T315-I319 HydrophobicContact CG2-CD1 4.07Å; T315-I319 WeakPolarHBondContact O-CG1 3.19Å; T315-I319 PolarHBondContact O-N 3.28Å; T315-I319 VanDerWaalsContact O-N 3.13Å; P316-I319 PolarHBondContact O-N 3.02Å; I319-L321 PolarHBondContact O-N 3.22Å; I319-A322 PolarHBondContact O-N 3.43Å; I319-N323 WeakPolarHBondContact O-CB 3.5Å; I319-N323 VanDerWaalsContact O-CG 3.22Å; I319-N323 PolarHBondContact O-N 3.45Å; I319-E329 HydrophobicContact CG1-CG 4.08Å
320	E	98.4	Very high	98.1	Very high	73 Å²	73	68.3 Å²	68.3	34%	0.341	35%	0.348	S	S	.	.	H	α-helix	trans	-53.9	-51.1	174.2	-173.5	-138.2	163.6	0	0	111.7	R306 P316 R324	R306-E320 IonicContact CZ-OE2 2.63Å; R306-E320 IonicContact NH1-OE1 3.74Å; R306-E320 IonicContact NH1-OE2 2.8Å; R306-E320 PolarHBondContact NH1-OE2 2.92Å; R306-E320 IonicContact NH2-OE2 2.82Å; P316-E320 WeakPolarHBondContact O-CB 3.23Å; P316-E320 PolarHBondContact O-N 3.46Å; E320-R324 WeakPolarHBondContact O-CB 3.48Å; E320-R324 PolarHBondContact O-N 3.05Å; E320-R324 IonicContact OE1-CZ 3.63Å; E320-R324 IonicContact OE1-NH1 3.89Å; E320-R324 PolarHBondContact OE1-NH1 2.85Å; E320-R324 IonicContact OE1-NH2 2.67Å; E320-R324 PolarHBondContact OE1-NH2 3.43Å
321	L	98.5	Very high	98.1	Very high	6 Å²	6	68.9 Å²	68.9	3%	0.031	35%	0.351	C	S	.	.	H	α-helix	trans	-70	-37.4	179.3	-171	66.6	0	0	0	112.8	L303 R306 L313 E317 I319 R324 L325 V332 F336	L303-L321 HydrophobicContact CD2-CD2 4.08Å; R306-L321 HydrophobicContact CB-CD1 4.12Å; R306-L321 HydrophobicContact CB-CD2 4.01Å; R306-L321 HydrophobicContact CG-CD1 4.31Å; R306-L321 HydrophobicContact CG-CD2 3.92Å; L313-L321 HydrophobicContact CD1-CB 4.49Å; L313-L321 HydrophobicContact CD1-CD2 3.75Å; E317-L321 WeakPolarHBondContact O-CB 3.31Å; E317-L321 PolarHBondContact O-N 3.47Å; I319-L321 PolarHBondContact O-N 3.22Å; L321-R324 PolarHBondContact O-N 3.27Å; L321-L325 HydrophobicContact CD1-CD1 3.79Å; L321-L325 HydrophobicContact CD1-CG 4.15Å; L321-L325 HydrophobicContact CG-CD1 3.97Å; L321-L325 HydrophobicContact CG-CG 4.48Å; L321-L325 WeakPolarHBondContact O-CG 3.1Å; L321-L325 PolarHBondContact O-N 3.37Å; L321-L325 VanDerWaalsContact O-N 3.11Å; L321-V332 HydrophobicContact CD2-CG1 3.93Å; L321-F336 HydrophobicContact CD2-CE2 3.63Å; L321-F336 HydrophobicContact CD2-CZ 4.02Å
322	A	98.5	Very high	98.2	Very high	2 Å²	2	65.5 Å²	65.5	2%	0.017	34%	0.336	C	S	.	.	H	α-helix	trans	-58.8	-49.8	175.4	0	0	0	0	0	111	R318 I319 L325 N326 L327 V332	R318-A322 WeakPolarHBondContact O-CB 2.8Å; R318-A322 PolarHBondContact O-N 3.1Å; I319-A322 PolarHBondContact O-N 3.43Å; A322-L325 PolarHBondContact O-N 2.68Å; A322-N326 PolarHBondContact O-N 2.72Å; A322-N326 VanDerWaalsContact O-N 3.12Å; A322-L327 CarbonylContact C-O 3.55Å; A322-L327 WeakPolarHBondContact CB-O 3.29Å; A322-L327 PolarHBondContact O-N 2.96Å; A322-V332 HydrophobicContact CB-CG2 3.9Å
323	N	98.3	Very high	98.2	Very high	115 Å²	115	62.9 Å²	62.9	62%	0.615	33%	0.328	S	S	*	.	H	α-helix	trans	-61.9	-46.4	176.3	-67	-11	0	0	0	111.6	I319 L325 N326	I319-N323 WeakPolarHBondContact O-CB 3.5Å; I319-N323 VanDerWaalsContact O-CG 3.22Å; I319-N323 PolarHBondContact O-N 3.45Å; N323-L325 PolarHBondContact O-N 3.34Å; N323-N326 PolarHBondContact O-N 3.44Å
324	R	98.1	Very high	98.1	Very high	151 Å²	151	65.2 Å²	65.2	57%	0.57	34%	0.342	S	S	*	.	H	α-helix	trans	-61.3	-29	-179.5	-175.2	175.3	-67.9	123.4	4.2	113.7	E320 L321	E320-R324 WeakPolarHBondContact O-CB 3.48Å; E320-R324 PolarHBondContact O-N 3.05Å; E320-R324 IonicContact OE1-CZ 3.63Å; E320-R324 IonicContact OE1-NH1 3.89Å; E320-R324 PolarHBondContact OE1-NH1 2.85Å; E320-R324 IonicContact OE1-NH2 2.67Å; E320-R324 PolarHBondContact OE1-NH2 3.43Å; L321-R324 PolarHBondContact O-N 3.27Å
325	L	97.9	Very high	98.2	Very high	21 Å²	21	64.1 Å²	64.1	11%	0.11	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	5	-176.5	-58.5	-177.8	0	0	0	113.9	Q299 L303 L321 A322 N323 L327	Q299-L325 PolarHBondContact NE2-O 2.91Å; L303-L325 HydrophobicContact CD2-CD1 3.98Å; L303-L325 HydrophobicContact CG-CD1 3.73Å; L321-L325 HydrophobicContact CD1-CD1 3.79Å; L321-L325 HydrophobicContact CD1-CG 4.15Å; L321-L325 HydrophobicContact CG-CD1 3.97Å; L321-L325 HydrophobicContact CG-CG 4.48Å; L321-L325 WeakPolarHBondContact O-CG 3.1Å; L321-L325 PolarHBondContact O-N 3.37Å; L321-L325 VanDerWaalsContact O-N 3.11Å; A322-L325 PolarHBondContact O-N 2.68Å; N323-L325 PolarHBondContact O-N 3.34Å; L325-L327 VanDerWaalsContact C-N 3.31Å; L325-L327 HydrophobicContact CB-CD1 4.13Å; L325-L327 HydrophobicContact CB-CG 4.17Å; L325-L327 PolarHBondContact O-N 3.31Å
326	N	98.1	Very high	98.2	Very high	146 Å²	146	60.6 Å²	60.6	78%	0.781	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	47.7	-173	-61.8	-50.6	0	0	0	112.5	A322 N323	A322-N326 PolarHBondContact O-N 2.72Å; A322-N326 VanDerWaalsContact O-N 3.12Å; N323-N326 PolarHBondContact O-N 3.44Å
327	L	97.8	Very high	98.2	Very high	19 Å²	19	61.6 Å²	61.6	10%	0.099	31%	0.305	C	S	.	.			trans	-120.5	158.7	177.8	-68.1	179.7	0	0	0	110.6	F295 L303 A322 L325 Q331 V332	F295-L327 HydrophobicContact CD1-CD1 4.29Å; F295-L327 HydrophobicContact CD1-CD2 3.64Å; F295-L327 HydrophobicContact CE1-CD1 4.26Å; F295-L327 HydrophobicContact CE1-CD2 3.6Å; L303-L327 HydrophobicContact CD1-CD1 3.94Å; L303-L327 HydrophobicContact CD2-CD1 4.42Å; L303-L327 HydrophobicContact CG-CD1 4.43Å; A322-L327 CarbonylContact C-O 3.55Å; A322-L327 WeakPolarHBondContact CB-O 3.29Å; A322-L327 PolarHBondContact O-N 2.96Å; L325-L327 VanDerWaalsContact C-N 3.31Å; L325-L327 HydrophobicContact CB-CD1 4.13Å; L325-L327 HydrophobicContact CB-CG 4.17Å; L325-L327 PolarHBondContact O-N 3.31Å; L327-Q331 HydrophobicContact CB-CB 4.47Å; L327-V332 HydrophobicContact CB-CG2 4.13Å; L327-V332 HydrophobicContact CD1-CG2 4.38Å
328	S	97.9	Very high	98.2	Very high	54 Å²	54	64.1 Å²	64.1	38%	0.378	32%	0.32	S	S	.	.			trans	-76.8	150.8	167.6	64.3	0	0	0	0	111.8	T330 Q331 V332	S328-T330 PolarHBondContact O-N 3.21Å; S328-T330 VanDerWaalsContact O-N 3.17Å; S328-Q331 WeakPolarHBondContact O-CB 3.33Å; S328-Q331 PolarHBondContact O-N 3.38Å; S328-Q331 WeakPolarHBondContact OG-CG 3.46Å; S328-Q331 PolarHBondContact OG-N 2.92Å; S328-Q331 PolarHBondContact OG-OE1 3.08Å; S328-V332 PolarHBondContact O-N 2.65Å; S328-V332 VanDerWaalsContact O-N 3.11Å
329	E	98.3	Very high	98.2	Very high	65 Å²	65	64.5 Å²	64.5	30%	0.304	32%	0.322	S	S	.	.	H	α-helix	trans	-54.4	-36.3	175.4	-156.8	-135.4	125	0	0	112	R318 I319 V332 K333	R318-E329 HydrophobicContact CB-CG 4.15Å; R318-E329 WeakPolarHBondContact CD-OE1 3.48Å; R318-E329 HydrophobicContact CG-CG 3.91Å; R318-E329 IonicContact CZ-OE1 2.72Å; R318-E329 IonicContact NE-OE1 3.1Å; R318-E329 IonicContact NH1-OE1 3.87Å; R318-E329 PolarHBondContact NH1-OE1 3.01Å; I319-E329 HydrophobicContact CG1-CG 4.08Å; E329-V332 PolarHBondContact O-N 3.26Å; E329-K333 VanDerWaalsContact O-CB 3.27Å; E329-K333 WeakPolarHBondContact O-CB 3.39Å; E329-K333 PolarHBondContact O-N 3Å
330	T	97.6	Very high	98.2	Very high	94 Å²	94	64.1 Å²	64.1	58%	0.577	32%	0.315	S	S	*	.	H	α-helix	trans	-66.5	-38	175.3	-62.3	0	0	0	0	113	S328 T334	S328-T330 PolarHBondContact O-N 3.21Å; S328-T330 VanDerWaalsContact O-N 3.17Å; T330-T334 VanDerWaalsContact O-CB 3.29Å; T330-T334 WeakPolarHBondContact O-CB 3.14Å; T330-T334 PolarHBondContact O-N 2.97Å; T330-T334 PolarHBondContact O-OG1 3.49Å
331	Q	97.9	Very high	98.1	Very high	61 Å²	61	65.2 Å²	65.2	29%	0.285	32%	0.321	S	S	.	.	H	α-helix	trans	-64.9	-45.2	173.5	-79.3	160.7	-55.7	0	0	110.8	F295 L327 S328 T334 W335	F295-Q331 HydrophobicContact CE1-CB 4.1Å; F295-Q331 HydrophobicContact CE1-CG 4.11Å; F295-Q331 HydrophobicContact CZ-CB 3.99Å; F295-Q331 HydrophobicContact CZ-CG 4.15Å; L327-Q331 HydrophobicContact CB-CB 4.47Å; S328-Q331 WeakPolarHBondContact O-CB 3.33Å; S328-Q331 PolarHBondContact O-N 3.38Å; S328-Q331 WeakPolarHBondContact OG-CG 3.46Å; S328-Q331 PolarHBondContact OG-N 2.92Å; S328-Q331 PolarHBondContact OG-OE1 3.08Å; Q331-T334 PolarHBondContact O-N 3.33Å; Q331-W335 WeakPolarHBondContact O-CB 3.44Å; Q331-W335 PolarHBondContact O-N 3.41Å
332	V	98.5	Very high	98	Very high	0 Å²	0	71.8 Å²	71.8	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-61.8	-48.7	175.8	-179	0	0	0	0	110.9	L303 L313 R318 L321 A322 L327 S328 E329 T334 W335 F336	L303-V332 HydrophobicContact CD2-CG1 4.26Å; L303-V332 HydrophobicContact CD2-CG2 4.35Å; L313-V332 HydrophobicContact CD1-CG1 4.12Å; R318-V332 HydrophobicContact CG-CB 4.05Å; R318-V332 HydrophobicContact CG-CG1 3.72Å; L321-V332 HydrophobicContact CD2-CG1 3.93Å; A322-V332 HydrophobicContact CB-CG2 3.9Å; L327-V332 HydrophobicContact CB-CG2 4.13Å; L327-V332 HydrophobicContact CD1-CG2 4.38Å; S328-V332 PolarHBondContact O-N 2.65Å; S328-V332 VanDerWaalsContact O-N 3.11Å; E329-V332 PolarHBondContact O-N 3.26Å; V332-T334 VanDerWaalsContact C-N 3.31Å; V332-T334 PolarHBondContact O-N 2.76Å; V332-W335 PolarHBondContact O-N 3.35Å; V332-F336 HydrophobicContact CG1-CD2 3.79Å; V332-F336 HydrophobicContact CG1-CE2 3.99Å; V332-F336 WeakPolarHBondContact O-CB 3.06Å; V332-F336 WeakPolarHBondContact O-CD2 3.3Å; V332-F336 PolarHBondContact O-N 3.36Å
333	K	98.3	Very high	97.9	Very high	116 Å²	116	73.4 Å²	73.4	50%	0.504	36%	0.357	S	S	.	.	H	α-helix	trans	-51.9	-48.4	175.3	-174.6	177.8	178.1	179	0	111.8	E329 Q337	E329-K333 VanDerWaalsContact O-CB 3.27Å; E329-K333 WeakPolarHBondContact O-CB 3.39Å; E329-K333 PolarHBondContact O-N 3Å; K333-Q337 WeakPolarHBondContact O-CB 3.38Å; K333-Q337 PolarHBondContact O-N 2.78Å; K333-Q337 VanDerWaalsContact O-N 3.08Å
334	T	97.8	Very high	97.7	Very high	63 Å²	63	73 Å²	73	39%	0.387	35%	0.35	S	S	.	.	H	α-helix	trans	-69.2	-43.4	-178.5	-55.8	0	0	0	0	111.9	T330 Q331 V332 Q337 N338	T330-T334 VanDerWaalsContact O-CB 3.29Å; T330-T334 WeakPolarHBondContact O-CB 3.14Å; T330-T334 PolarHBondContact O-N 2.97Å; T330-T334 PolarHBondContact O-OG1 3.49Å; Q331-T334 PolarHBondContact O-N 3.33Å; V332-T334 VanDerWaalsContact C-N 3.31Å; V332-T334 PolarHBondContact O-N 2.76Å; T334-Q337 PolarHBondContact O-N 3.08Å; T334-N338 WeakPolarHBondContact O-CB 3.33Å; T334-N338 VanDerWaalsContact O-CG 3.31Å; T334-N338 PolarHBondContact O-N 2.89Å; T334-N338 PolarHBondContact O-ND2 2.97Å
335	W	98.5	Very high	97.3	Very high	30 Å²	30	73.2 Å²	73.2	11%	0.114	36%	0.355	C	S	.	.	H	α-helix	trans	-62.6	-46.5	176.9	-174.7	102.4	0	0	0	111	F295 L303 E304 F307 Q331 V332 Q337 N338 R339	F295-W335 AromaticContact CD2-CD1 3.93Å; F295-W335 HydrophobicContact CE2-CB 4.38Å; F295-W335 AromaticContact CE2-CD1 3.79Å; F295-W335 HydrophobicContact CE2-CG 4.45Å; L303-W335 VanDerWaalsContact C-CH2 3.5Å; L303-W335 HydrophobicContact CB-CD2 3.85Å; L303-W335 HydrophobicContact CB-CE3 3.87Å; L303-W335 HydrophobicContact CB-CH2 3.77Å; L303-W335 HydrophobicContact CB-CZ2 3.71Å; L303-W335 HydrophobicContact CB-CZ3 3.84Å; L303-W335 HydrophobicContact CD1-CB 4.4Å; L303-W335 HydrophobicContact CD1-CD2 3.9Å; L303-W335 HydrophobicContact CD1-CG 3.78Å; L303-W335 HydrophobicContact CD2-CD2 4.25Å; L303-W335 HydrophobicContact CD2-CE3 4.11Å; L303-W335 HydrophobicContact CD2-CG 4.49Å; L303-W335 HydrophobicContact CG-CD2 4.22Å; L303-W335 HydrophobicContact CG-CE3 4.39Å; L303-W335 WeakPolarHBondContact O-CH2 3.39Å; L303-W335 WeakPolarHBondContact O-CZ3 3.39Å; E304-W335 HydrophobicContact CB-CH2 4.47Å; E304-W335 WeakPolarHBondContact OE2-CH2 3.43Å; E304-W335 WeakPolarHBondContact OE2-CZ2 3.42Å; F307-W335 HydrophobicContact CB-CH2 3.96Å; F307-W335 HydrophobicContact CB-CZ3 3.89Å; F307-W335 HydrophobicContact CD2-CZ3 4.1Å; F307-W335 HydrophobicContact CG-CH2 4.33Å; F307-W335 HydrophobicContact CG-CZ3 4.2Å; Q331-W335 WeakPolarHBondContact O-CB 3.44Å; Q331-W335 PolarHBondContact O-N 3.41Å; V332-W335 PolarHBondContact O-N 3.35Å; W335-Q337 VanDerWaalsContact C-N 3.32Å; W335-Q337 PolarHBondContact O-N 3.16Å; W335-N338 PolarHBondContact O-N 3.41Å; W335-N338 VanDerWaalsContact O-N 3.16Å; W335-R339 HydrophobicContact CD2-CB 4.3Å; W335-R339 HydrophobicContact CE3-CB 3.92Å; W335-R339 HydrophobicContact CE3-CG 4.47Å; W335-R339 HydrophobicContact CH2-CB 3.79Å; W335-R339 HydrophobicContact CH2-CG 3.45Å; W335-R339 VanDerWaalsContact CH2-CG 3.45Å; W335-R339 HydrophobicContact CZ2-CB 4.2Å; W335-R339 HydrophobicContact CZ2-CG 4.03Å; W335-R339 HydrophobicContact CZ3-CB 3.65Å; W335-R339 HydrophobicContact CZ3-CG 3.72Å; W335-R339 WeakPolarHBondContact O-CB 3.48Å; W335-R339 PolarHBondContact O-N 2.97Å
336	F	98.6	Very high	96.8	Very high	5 Å²	5	77.2 Å²	77.2	2%	0.022	38%	0.376	C	S	.	.	H	α-helix	trans	-61.8	-38.1	177.4	-93.3	-99.2	0	0	0	112.4	L303 R306 F307 Q310 L313 L321 V332 R340	L303-F336 HydrophobicContact CD2-CD2 4.44Å; L303-F336 HydrophobicContact CD2-CE2 4.01Å; R306-F336 HydrophobicContact CB-CZ 4.36Å; R306-F336 HydrophobicContact CG-CZ 4.31Å; F307-F336 HydrophobicContact CB-CE1 4.15Å; F307-F336 HydrophobicContact CB-CZ 4.28Å; F307-F336 AromaticContact CD2-CD1 3.81Å; F307-F336 HydrophobicContact CD2-CD1 3.81Å; F307-F336 AromaticContact CD2-CE1 3.78Å; F307-F336 HydrophobicContact CD2-CE1 3.78Å; F307-F336 HydrophobicContact CE2-CD1 4.46Å; F307-F336 HydrophobicContact CG-CE1 4.47Å; Q310-F336 WeakPolarHBondContact O-CE1 3.39Å; L313-F336 HydrophobicContact CD1-CD1 4.44Å; L313-F336 HydrophobicContact CD1-CD2 4.15Å; L313-F336 HydrophobicContact CD1-CE1 4.04Å; L313-F336 HydrophobicContact CD1-CE2 3.74Å; L313-F336 HydrophobicContact CD1-CZ 3.68Å; L313-F336 HydrophobicContact CD2-CE1 4.12Å; L313-F336 HydrophobicContact CD2-CZ 4.26Å; L313-F336 HydrophobicContact CG-CD1 4.12Å; L313-F336 HydrophobicContact CG-CE1 3.79Å; L313-F336 HydrophobicContact CG-CE2 4.39Å; L313-F336 HydrophobicContact CG-CZ 3.95Å; L321-F336 HydrophobicContact CD2-CE2 3.63Å; L321-F336 HydrophobicContact CD2-CZ 4.02Å; V332-F336 HydrophobicContact CG1-CD2 3.79Å; V332-F336 HydrophobicContact CG1-CE2 3.99Å; V332-F336 WeakPolarHBondContact O-CB 3.06Å; V332-F336 WeakPolarHBondContact O-CD2 3.3Å; V332-F336 PolarHBondContact O-N 3.36Å; F336-R340 WeakPolarHBondContact O-CB 3.45Å; F336-R340 WeakPolarHBondContact O-CG 3.48Å; F336-R340 PolarHBondContact O-N 2.82Å
337	Q	98.2	Very high	96	Very high	111 Å²	111	77.3 Å²	77.3	52%	0.519	37%	0.369	S	S	.	.	H	α-helix	trans	-63	-46.6	173.5	-176.9	171.2	-1.4	0	0	111.8	K333 T334 W335 R340 M341	K333-Q337 WeakPolarHBondContact O-CB 3.38Å; K333-Q337 PolarHBondContact O-N 2.78Å; K333-Q337 VanDerWaalsContact O-N 3.08Å; T334-Q337 PolarHBondContact O-N 3.08Å; W335-Q337 VanDerWaalsContact C-N 3.32Å; W335-Q337 PolarHBondContact O-N 3.16Å; Q337-R340 PolarHBondContact O-N 3.36Å; Q337-M341 WeakPolarHBondContact O-CG 3.39Å; Q337-M341 PolarHBondContact O-N 3.13Å; Q337-M341 VanDerWaalsContact O-N 3.08Å
338	N	98.2	Very high	95.1	Very high	102 Å²	102	85.8 Å²	85.8	55%	0.545	40%	0.4	S	S	.	.	H	α-helix	trans	-65.5	-41.1	177.4	-71.1	-23.4	0	0	0	112.2	T334 W335 M341 K342	T334-N338 WeakPolarHBondContact O-CB 3.33Å; T334-N338 VanDerWaalsContact O-CG 3.31Å; T334-N338 PolarHBondContact O-N 2.89Å; T334-N338 PolarHBondContact O-ND2 2.97Å; W335-N338 PolarHBondContact O-N 3.41Å; W335-N338 VanDerWaalsContact O-N 3.16Å; N338-M341 WeakPolarHBondContact O-CB 3.41Å; N338-M341 PolarHBondContact O-N 3.07Å; N338-M341 VanDerWaalsContact O-N 3.13Å; N338-K342 PolarHBondContact O-N 2.93Å
339	R	98.3	Very high	93.6	Very high	48 Å²	48	87.9 Å²	87.9	18%	0.181	41%	0.414	C	S	.	.	H	α-helix	trans	-67.4	-38.1	178.7	-173.8	67.4	-171.4	75.8	0.6	112.2	E304 F307 W335 M341 K342 H343	E304-R339 IonicContact OE1-CZ 2.65Å; E304-R339 IonicContact OE1-NE 2.68Å; E304-R339 PolarHBondContact OE1-NE 3.22Å; E304-R339 IonicContact OE1-NH2 3.51Å; E304-R339 PolarHBondContact OE1-NH2 2.63Å; E304-R339 VanDerWaalsContact OE2-CD 3.3Å; E304-R339 WeakPolarHBondContact OE2-CD 3.39Å; E304-R339 IonicContact OE2-CZ 2.65Å; E304-R339 IonicContact OE2-NE 2.62Å; E304-R339 PolarHBondContact OE2-NE 3.06Å; F307-R339 HydrophobicContact CB-CG 4.44Å; F307-R339 HydrophobicContact CD1-CG 3.57Å; F307-R339 HydrophobicContact CD2-CB 4.03Å; F307-R339 HydrophobicContact CD2-CG 3.55Å; F307-R339 HydrophobicContact CE1-CG 3.56Å; F307-R339 HydrophobicContact CE2-CB 3.85Å; F307-R339 HydrophobicContact CE2-CG 3.53Å; F307-R339 HydrophobicContact CG-CG 3.58Å; F307-R339 HydrophobicContact CZ-CB 4.19Å; F307-R339 HydrophobicContact CZ-CG 3.54Å; W335-R339 HydrophobicContact CD2-CB 4.3Å; W335-R339 HydrophobicContact CE3-CB 3.92Å; W335-R339 HydrophobicContact CE3-CG 4.47Å; W335-R339 HydrophobicContact CH2-CB 3.79Å; W335-R339 HydrophobicContact CH2-CG 3.45Å; W335-R339 VanDerWaalsContact CH2-CG 3.45Å; W335-R339 HydrophobicContact CZ2-CB 4.2Å; W335-R339 HydrophobicContact CZ2-CG 4.03Å; W335-R339 HydrophobicContact CZ3-CB 3.65Å; W335-R339 HydrophobicContact CZ3-CG 3.72Å; W335-R339 WeakPolarHBondContact O-CB 3.48Å; W335-R339 PolarHBondContact O-N 2.97Å; R339-M341 VanDerWaalsContact C-N 3.34Å; R339-K342 PolarHBondContact O-N 3.4Å; R339-H343 WeakPolarHBondContact O-CB 3.27Å; R339-H343 PolarHBondContact O-N 2.9Å
340	R	98.2	Very high	91.9	Very high	65 Å²	65	90.8 Å²	90.8	25%	0.245	43%	0.431	C	S	.	.	H	α-helix	trans	-60.9	-39.6	167.7	-77.2	-167.7	-67.9	-85.4	-0.9	112.3	F307 H311 F336 Q337 H343 K344	F307-R340 HydrophobicContact CE2-CG 3.76Å; F307-R340 HydrophobicContact CZ-CG 4.15Å; H311-R340 WeakPolarHBondContact O-CD 3.42Å; H311-R340 PolarHBondContact O-NH1 3.48Å; F336-R340 WeakPolarHBondContact O-CB 3.45Å; F336-R340 WeakPolarHBondContact O-CG 3.48Å; F336-R340 PolarHBondContact O-N 2.82Å; Q337-R340 PolarHBondContact O-N 3.36Å; R340-H343 PolarHBondContact O-N 2.8Å; R340-K344 WeakPolarHBondContact O-CB 3.45Å; R340-K344 PolarHBondContact O-N 2.81Å
341	M	97.4	Very high	89.4	Confident	95 Å²	95	89.8 Å²	89.8	47%	0.468	43%	0.426	S	S	.	.	H	α-helix	trans	-68.2	-38.3	176.2	-69.9	-66.3	-79.3	0	0	112.4	Q337 N338 R339 K344 K345	Q337-M341 WeakPolarHBondContact O-CG 3.39Å; Q337-M341 PolarHBondContact O-N 3.13Å; Q337-M341 VanDerWaalsContact O-N 3.08Å; N338-M341 WeakPolarHBondContact O-CB 3.41Å; N338-M341 PolarHBondContact O-N 3.07Å; N338-M341 VanDerWaalsContact O-N 3.13Å; R339-M341 VanDerWaalsContact C-N 3.34Å; M341-K344 VanDerWaalsContact SD-CE 3.53Å; M341-K344 PolarHBondContact SD-NZ 2.83Å; M341-K344 VanDerWaalsContact SD-NZ 3.4Å; M341-K345 WeakPolarHBondContact O-CG 3.38Å; M341-K345 PolarHBondContact O-N 3.3Å; M341-K345 VanDerWaalsContact O-N 3.1Å
342	K	95.7	Very high	87	Confident	144 Å²	144	92.9 Å²	92.9	63%	0.626	45%	0.445	S	S	*	.	H	α-helix	trans	-61.5	-47.5	170.3	-170.1	-178	179.5	-173	0	111.2	N338 R339 K344 K345 L346	N338-K342 PolarHBondContact O-N 2.93Å; R339-K342 PolarHBondContact O-N 3.4Å; K342-K344 PolarHBondContact O-N 3.12Å; K342-K345 PolarHBondContact O-N 2.97Å; K342-L346 PolarHBondContact O-N 3.33Å
343	H	95.4	Very high	84.7	Confident	37 Å²	37	100.9 Å²	100.9	17%	0.171	49%	0.486	C	S	.	.	H	α-helix	trans	-58.7	-45.9	177.4	-173.9	-173.7	0	0	0	112.1	F307 H311 R339 R340 K345 L346 K347	F307-H343 HydrophobicContact CE1-CB 4.23Å; F307-H343 AromaticContact CE1-ND1 3.88Å; F307-H343 HydrophobicContact CZ-CB 4.05Å; F307-H343 AromaticContact CZ-ND1 3.88Å; H311-H343 AromaticContact CD2-CE1 3.97Å; H311-H343 AromaticContact CD2-ND1 3.71Å; H311-H343 AromaticContact CE1-CE1 3.52Å; H311-H343 AromaticContact NE2-CE1 3.24Å; H311-H343 PolarHBondContact NE2-CE1 2.79Å; H311-H343 AromaticContact NE2-ND1 3.4Å; H311-H343 PolarHBondContact NE2-ND1 3.34Å; R339-H343 WeakPolarHBondContact O-CB 3.27Å; R339-H343 PolarHBondContact O-N 2.9Å; R340-H343 PolarHBondContact O-N 2.8Å; H343-K345 VanDerWaalsContact C-N 3.33Å; H343-K345 PolarHBondContact O-N 3.23Å; H343-L346 PolarHBondContact O-N 3.35Å; H343-K347 WeakPolarHBondContact NE2-CD 3.37Å; H343-K347 WeakPolarHBondContact NE2-CE 3.38Å; H343-K347 PolarHBondContact NE2-NZ 2.57Å; H343-K347 PolarHBondContact O-N 2.98Å
344	K	94.2	Very high	82	Confident	105 Å²	105	103.8 Å²	103.8	46%	0.457	50%	0.502	S	S	.	.	H	α-helix	trans	-65.1	-32.3	177.8	-175.3	172.2	63.6	-179.2	0	113.2	R340 M341 K342 R348	R340-K344 WeakPolarHBondContact O-CB 3.45Å; R340-K344 PolarHBondContact O-N 2.81Å; M341-K344 VanDerWaalsContact SD-CE 3.53Å; M341-K344 PolarHBondContact SD-NZ 2.83Å; M341-K344 VanDerWaalsContact SD-NZ 3.4Å; K342-K344 PolarHBondContact O-N 3.12Å; K344-R348 WeakPolarHBondContact O-CG 3.45Å
345	K	90.3	Very high	79	Confident	157 Å²	157	109.8 Å²	109.8	68%	0.683	52%	0.523	S	S	*	.	H	α-helix	trans	-68.2	-48.9	171.9	-76.1	-175.5	175.2	-169.6	0	111.1	M341 K342 H343 K347 R348 S349	M341-K345 WeakPolarHBondContact O-CG 3.38Å; M341-K345 PolarHBondContact O-N 3.3Å; M341-K345 VanDerWaalsContact O-N 3.1Å; K342-K345 PolarHBondContact O-N 2.97Å; H343-K345 VanDerWaalsContact C-N 3.33Å; H343-K345 PolarHBondContact O-N 3.23Å; K345-K347 PolarHBondContact O-N 2.69Å; K345-R348 PolarHBondContact O-N 2.7Å; K345-S349 PolarHBondContact O-N 2.96Å
346	L	87.6	Confident	76	Confident	104 Å²	104	115 Å²	115	55%	0.545	56%	0.558	S	S	.	*	H	α-helix	trans	-57.3	-46.7	-179.6	-176.7	59.9	0	0	0	112	K342 H343 R348 S349 I350	K342-L346 PolarHBondContact O-N 3.33Å; H343-L346 PolarHBondContact O-N 3.35Å; L346-R348 PolarHBondContact O-N 2.84Å; L346-S349 PolarHBondContact O-N 3.11Å; L346-I350 HydrophobicContact CD1-CD1 4.39Å; L346-I350 HydrophobicContact CG-CD1 4.47Å
347	K	81.4	Confident	73.2	Confident	149 Å²	149	121.9 Å²	121.9	65%	0.648	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	-9.6	176.7	-80.4	-173.1	165.6	171.4	0	115.6	H343 K345	H343-K347 WeakPolarHBondContact NE2-CD 3.37Å; H343-K347 WeakPolarHBondContact NE2-CE 3.38Å; H343-K347 PolarHBondContact NE2-NZ 2.57Å; H343-K347 PolarHBondContact O-N 2.98Å; K345-K347 PolarHBondContact O-N 2.69Å
348	R	77.9	Confident	70.3	Confident	196 Å²	196	124.3 Å²	124.3	74%	0.74	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.1	-10.8	174	-69	176.2	174.7	-169.5	-6	113.3	K344 K345 L346	K344-R348 WeakPolarHBondContact O-CG 3.45Å; K345-R348 PolarHBondContact O-N 2.7Å; L346-R348 PolarHBondContact O-N 2.84Å
349	S	66.8	Low	67.4	Low	98 Å²	98	126.9 Å²	126.9	69%	0.685	62%	0.621	S	S	*	*	S	Bend	trans	-95.1	3.4	-177.9	-163.4	0	0	0	0	113.5	K345 L346	K345-S349 PolarHBondContact O-N 2.96Å; L346-S349 PolarHBondContact O-N 3.11Å
350	I	63	Low	64.5	Low	126 Å²	126	130.5 Å²	130.5	65%	0.646	65%	0.653	S	S	*	*			trans	-117.8	67.2	179.8	-51.4	168.5	0	0	0	107.2	L346	L346-I350 HydrophobicContact CD1-CD1 4.39Å; L346-I350 HydrophobicContact CG-CD1 4.47Å
351	P	46.1	Very low	61.8	Low	73 Å²	73	133 Å²	133	47%	0.474	68%	0.681	S	S	.	*	S	Bend		-153.7	116.6	118.7	32	-11.7	0	0	0	114.6	K83	K83-P351 PolarHBondContact NZ-O 3.12Å
352	D	47.6	Very low	59.2	Low	127 Å²	127	133.9 Å²	133.9	68%	0.679	70%	0.697	S	S	*	*			trans	167.1	2.1	143.4	-84.6	-11.8	0	0	0	115.9	K83 Q354	K83-D352 IonicContact NZ-OD1 3.74Å; K83-D352 PolarHBondContact NZ-OD1 2.86Å; K83-D352 IonicContact NZ-OD2 2.93Å; K83-D352 PolarHBondContact NZ-OD2 2.97Å; D352-Q354 PolarHBondContact O-N 3.4Å
353	L	48.9	Very low	56.5	Low	167 Å²	167	139.2 Å²	139.2	87%	0.874	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	36.6	-174.4	-142.8	86.4	0	0	0	115.9
354	Q	41.4	Very low	53.5	Low	177 Å²	177	142.7 Å²	142.7	83%	0.827	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.5	-1.5	-177.4	-70.5	-169.3	-11.5	0	0	116.2	D352	D352-Q354 PolarHBondContact O-N 3.4Å
355	F	35.9	Very low	51	Low	189 Å²	189	146.4 Å²	146.4	83%	0.829	76%	0.759	S	S	*	*			trans	-134.5	41.8	-169.9	-83.8	-77.6	0	0	0	116.6
356	T	35.8	Very low	48.6	Very low	139 Å²	139	144 Å²	144	85%	0.853	76%	0.762	S	S	*	*			trans	-139.3	58.3	168.3	58.7	0	0	0	0	114.2
357	Q	40	Very low	46.6	Very low	151 Å²	151	144.1 Å²	144.1	71%	0.706	77%	0.772	S	S	*	*	S	Bend	trans	-127.9	161.1	148	-73.3	-171	-37.6	0	0	107.9
358	N	35.6	Very low	44.8	Very low	161 Å²	161	144 Å²	144	86%	0.861	78%	0.783	S	S	*	*	S	Bend	trans	77	50.7	-179.7	-47.5	-22.5	0	0	0	117.7
359	N	37.4	Very low	43.1	Very low	156 Å²	156	138.1 Å²	138.1	83%	0.834	78%	0.784	S	S	*	*			trans	-158.5	58.9	152.9	-137.4	-5.5	0	0	0	116.7
360	S	38.7	Very low	42	Very low	124 Å²	124	141 Å²	141	87%	0.867	79%	0.792	S	S	*	*			trans	-150.7	56.8	175.8	-68.9	0	0	0	0	114
361	S	40.1	Very low	41.2	Very low	119 Å²	119	143.1 Å²	143.1	83%	0.832	80%	0.804	S	S	*	*			trans	-158	53.8	-178.4	51.6	0	0	0	0	116.3
362	S	43.4	Very low	41.2	Very low	113 Å²	113	145.3 Å²	145.3	79%	0.79	81%	0.812	S	S	*	*			trans	-159.1	56.8	172.9	52.6	0	0	0	0	117
363	R	39.6	Very low	40.8	Very low	255 Å²	255	149.7 Å²	149.7	96%	0.962	82%	0.819	S	S	*	*			trans	-156.5	103.4	148.9	-123.2	170.7	-168.7	147.4	6.1	113.9
364	C	32.1	Very low	40	Very low	111 Å²	111	148.1 Å²	148.1	75%	0.75	82%	0.82	S	S	*	*			trans	-110.6	143	164.7	50.3	0	0	0	0	109.3
365	Q	41.8	Very low	39.8	Very low	183 Å²	183	144.7 Å²	144.7	86%	0.855	82%	0.816	S	S	*	*			trans	172.9	144.6	135.2	-96.6	171.3	26.5	0	0	112.7
366	S	40.2	Very low	39.9	Very low	107 Å²	107	140.4 Å²	140.4	75%	0.748	81%	0.809	S	S	*	*			trans	93	141.1	153.9	-58.1	0	0	0	0	121.8
367	S	44.6	Very low	40.1	Very low	106 Å²	106	139.3 Å²	139.3	74%	0.741	80%	0.802	S	S	*	*			trans	60.5	81.6	162.4	57.3	0	0	0	0	120.5
368	T	43.4	Very low	39.7	Very low	146 Å²	146	140.1 Å²	140.1	90%	0.896	81%	0.806	S	S	*	*				33.5	123.3	115.1	58.4	0	0	0	0	120.3
369	G	42.1	Very low	39.8	Very low	73 Å²	73	139.1 Å²	139.1	75%	0.753	80%	0.801	S	S	*	*			trans	-178.4	119.9	158.9	0	0	0	0	0	109.5
370	D	44.2	Very low	39.5	Very low	158 Å²	158	138.7 Å²	138.7	85%	0.845	80%	0.798	S	S	*	*			trans	-79.5	143.2	-173.7	-49.5	-93.8	0	0	0	112.5
371	D	45.6	Very low	39.4	Very low	171 Å²	171	138 Å²	138	91%	0.914	79%	0.789	S	S	*	*			trans	-173	161.7	130.4	-104.2	-27.9	0	0	0	113.5
372	D	46.4	Very low	39	Very low	119 Å²	119	138.6 Å²	138.6	64%	0.636	78%	0.783	S	S	*	*			trans	-82.4	152.1	-152	-141.2	-0.5	0	0	0	117.1
373	R	39.9	Very low	38.6	Very low	218 Å²	218	137.8 Å²	137.8	82%	0.823	77%	0.768	S	S	*	*			trans	61.8	110.9	155.4	-57.9	157.2	-163.9	-156.7	0.2	121.3
374	C	32.6	Very low	38.4	Very low	134 Å²	134	132.7 Å²	132.7	91%	0.905	76%	0.76	S	S	*	*				-170.2	152.3	96.7	-154	0	0	0	0	114.7
375	S	36.1	Very low	38.4	Very low	105 Å²	105	132.9 Å²	132.9	73%	0.734	75%	0.753	S	S	*	*			trans	-72.6	155.7	167.7	155.3	0	0	0	0	111.9
376	S	38.1	Very low	37.8	Very low	99 Å²	99	129.8 Å²	129.8	69%	0.692	75%	0.751	S	S	*	*			cis	-172.7	172.1	-9.1	176.9	0	0	0	0	110
377	V	39.7	Very low	37.5	Very low	116 Å²	116	130.1 Å²	130.1	70%	0.703	74%	0.744	S	S	*	*			trans	73.2	119.7	168.5	-160.9	0	0	0	0	117.8
378	E	32	Very low	37.1	Very low	169 Å²	169	130.9 Å²	130.9	79%	0.79	74%	0.744	S	S	*	*			trans	-96.2	143	155.6	-60.2	-173.7	149.2	0	0	109.6
379	D	37.1	Very low	36.7	Very low	140 Å²	140	129.4 Å²	129.4	75%	0.749	74%	0.74	S	S	*	*			trans	-144.4	92.2	165.9	-104.7	-45.1	0	0	0	110.7
380	N	32.3	Very low	36.5	Very low	146 Å²	146	132.2 Å²	132.2	78%	0.781	74%	0.738	S	S	*	*			trans	-99	89.9	179.8	-78.1	-66.5	0	0	0	111.1
381	V	37	Very low	36	Very low	110 Å²	110	127.7 Å²	127.7	67%	0.667	73%	0.728	S	S	*	*			trans	-101	111.5	-179.2	-176.8	0	0	0	0	111.9	I383	V381-I383 HydrophobicContact CG1-CG1 4.46Å
382	N	31.4	Very low	35.3	Very low	132 Å²	132	125.2 Å²	125.2	71%	0.706	71%	0.714	S	S	*	*			trans	-70.6	128.8	171.4	-75.1	-21.2	0	0	0	111.3
383	I	35.2	Very low	34.7	Very low	95 Å²	95	125.1 Å²	125.1	49%	0.487	72%	0.717	S	S	.	*			trans	-116.5	117.4	175.4	-59.7	179.7	0	0	0	110.3	V381 I385	V381-I383 HydrophobicContact CG1-CG1 4.46Å; I383-I385 HydrophobicContact CG2-CG1 4.49Å
384	N	33.7	Very low	34.4	Very low	148 Å²	148	121.5 Å²	121.5	79%	0.791	71%	0.708	S	S	*	*			trans	-75.1	131.5	170.3	-78.1	-41.7	0	0	0	110.4
385	I	33.4	Very low	34.2	Very low	116 Å²	116	120.7 Å²	120.7	60%	0.595	70%	0.704	S	S	*	*			trans	-110.5	103.5	-175.4	-62.4	176.5	0	0	0	110.6	I383 L387	I383-I385 HydrophobicContact CG2-CG1 4.49Å; I385-L387 HydrophobicContact CG2-CD1 3.93Å; I385-L387 HydrophobicContact CG2-CD2 4.28Å; I385-L387 HydrophobicContact CG2-CG 3.74Å
386	S	29.3	Very low	34	Very low	117 Å²	117	120.2 Å²	120.2	82%	0.818	70%	0.7	S	S	*	*			trans	-105.3	110.3	171	-66.1	0	0	0	0	109.6
387	L	33.6	Very low	33.7	Very low	115 Å²	115	121 Å²	121	60%	0.602	71%	0.705	S	S	*	*			trans	-103.6	108.4	-176.2	-70.8	168.2	0	0	0	112	I385 I392	I385-L387 HydrophobicContact CG2-CD1 3.93Å; I385-L387 HydrophobicContact CG2-CD2 4.28Å; I385-L387 HydrophobicContact CG2-CG 3.74Å; L387-I392 HydrophobicContact CD2-CG1 4.1Å
388	T	36	Very low	33.3	Very low	121 Å²	121	120.7 Å²	120.7	74%	0.742	71%	0.709	S	S	*	*			trans	-71.9	-179.4	161	51.4	0	0	0	0	110.5	N390	T388-N390 VanDerWaalsContact C-N 3.28Å; T388-N390 PolarHBondContact O-N 2.79Å
389	S	34.4	Very low	33.2	Very low	116 Å²	116	118 Å²	118	81%	0.811	71%	0.709	S	S	*	*	S	Bend	trans	-69.4	-17.2	-169.8	40.5	0	0	0	0	115.7
390	N	37.7	Very low	32.7	Very low	132 Å²	132	117 Å²	117	71%	0.706	71%	0.713	S	S	*	*	S	Bend	trans	-99.3	170.8	-177.6	-66.8	-4	0	0	0	111.8	T388	T388-N390 VanDerWaalsContact C-N 3.28Å; T388-N390 PolarHBondContact O-N 2.79Å
391	G	34.1	Very low	32.5	Very low	62 Å²	62	114.9 Å²	114.9	64%	0.639	71%	0.709	S	S	*	*	S	Bend	trans	-56.8	155.5	-171.1	0	0	0	0	0	115.1	V393	G391-V393 VanDerWaalsContact O-CG2 3.31Å; G391-V393 WeakPolarHBondContact O-CG2 3.35Å; G391-V393 PolarHBondContact O-N 3.08Å; G391-V393 VanDerWaalsContact O-N 3.17Å
392	I	31.6	Very low	32.3	Very low	119 Å²	119	116.5 Å²	116.5	61%	0.61	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-54.5	117.2	-174.7	-55.6	170.7	0	0	0	110.9	L387 F394	L387-I392 HydrophobicContact CD2-CG1 4.1Å; I392-F394 HydrophobicContact CG2-CD2 3.85Å; I392-F394 HydrophobicContact CG2-CE2 3.55Å; I392-F394 HydrophobicContact CG2-CZ 3.98Å
393	V	33	Very low	32.1	Very low	118 Å²	118	117.4 Å²	117.4	72%	0.715	72%	0.723	S	S	*	*			trans	-109.7	113.3	172.2	-141.8	0	0	0	0	108.6	G391 S395	G391-V393 VanDerWaalsContact O-CG2 3.31Å; G391-V393 WeakPolarHBondContact O-CG2 3.35Å; G391-V393 PolarHBondContact O-N 3.08Å; G391-V393 VanDerWaalsContact O-N 3.17Å; V393-S395 PolarHBondContact O-N 2.91Å
394	F	33.6	Very low	31.9	Very low	142 Å²	142	120 Å²	120	62%	0.623	74%	0.737	S	S	*	*			trans	-85.6	94.9	174.3	-78.5	-74.8	0	0	0	110.3	I392 S396	I392-F394 HydrophobicContact CG2-CD2 3.85Å; I392-F394 HydrophobicContact CG2-CE2 3.55Å; I392-F394 HydrophobicContact CG2-CZ 3.98Å; F394-S396 PolarHBondContact O-N 3.28Å
395	S	28.4	Very low	31.7	Very low	117 Å²	117	120.5 Å²	120.5	82%	0.818	74%	0.735	S	S	*	*			trans	-88	81.8	175.7	-62.4	0	0	0	0	111.5	V393	V393-S395 PolarHBondContact O-N 2.91Å
396	S	33.1	Very low	31.7	Very low	94 Å²	94	122.9 Å²	122.9	66%	0.657	75%	0.747	S	S	*	*			trans	-127.9	106.6	165.7	55.9	0	0	0	0	109.8	F394	F394-S396 PolarHBondContact O-N 3.28Å
397	S	31.4	Very low	31.9	Very low	115 Å²	115	123.8 Å²	123.8	80%	0.804	74%	0.742	S	S	*	*			trans	-87	120.1	-172.1	52.2	0	0	0	0	113.2
398	S	30.9	Very low	31.7	Very low	111 Å²	111	124 Å²	124	78%	0.776	74%	0.743	S	S	*	*				-173.9	129.5	125.3	-81.1	0	0	0	0	113.9
399	S	29.8	Very low	31.3	Very low	113 Å²	113	126.6 Å²	126.6	79%	0.79	75%	0.749	S	S	*	*			trans	47.5	101	149.1	59	0	0	0	0	121.9
400	S	27.4	Very low	31.1	Very low	118 Å²	118	126.4 Å²	126.4	83%	0.825	74%	0.743	S	S	*	*				98.7	150	126.8	-148.5	0	0	0	0	121
401	S	28.6	Very low	30.9	Very low	102 Å²	102	125.4 Å²	125.4	71%	0.713	75%	0.747	S	S	*	*			trans	61.7	112.6	175.6	50.4	0	0	0	0	119.6
402	T	31.7	Very low	30.5	Very low	143 Å²	143	126.7 Å²	126.7	88%	0.877	76%	0.76	S	S	*	*			trans	63.6	102.9	145.3	-39.8	0	0	0	0	118.7
403	I	27.6	Very low	30.5	Very low	151 Å²	151	132.1 Å²	132.1	77%	0.774	77%	0.773	S	S	*	*			trans	-102.7	131.6	176	-58.1	167.5	0	0	0	109.6
404	N	29.9	Very low	30.1	Very low	149 Å²	149	138.7 Å²	138.7	80%	0.797	79%	0.785	S	S	*	*			trans	158.7	72.7	142.3	-82.5	-33.3	0	0	0	113.9
405	E	31.4	Very low	30.1	Very low	159 Å²	159	139.3 Å²	139.3	74%	0.743	79%	0.793	S	S	*	*			trans	-133.8	112.4	151.2	-83.3	-156.8	145.7	0	0	109.8
406	I	32.2	Very low	30.4	Very low	166 Å²	166	142.6 Å²	142.6	85%	0.851	80%	0.795	S	S	*	*			trans	-93.9	109.1	170.6	-65	173.9	0	0	0	107.5	D408	I406-D408 PolarHBondContact O-N 3.49Å
407	I	33.3	Very low	30.4	Very low	137 Å²	137	146.5 Å²	146.5	70%	0.703	80%	0.801	S	S	*	*			trans	-81	100.4	-178.7	-58.5	177.9	0	0	0	109.9	M409	I407-M409 HydrophobicContact CG2-CG 4.08Å; I407-M409 PolarHBondContact O-N 2.87Å
408	D	30.3	Very low	30.4	Very low	118 Å²	118	148.8 Å²	148.8	63%	0.631	80%	0.804	S	S	*	*			trans	-78.6	106.3	169.2	-172.7	-17.5	0	0	0	110.4	I406 T410	I406-D408 PolarHBondContact O-N 3.49Å; D408-T410 PolarHBondContact O-N 3.32Å; D408-T410 VanDerWaalsContact O-N 3.17Å; D408-T410 VanDerWaalsContact OD1-CB 3.29Å; D408-T410 WeakPolarHBondContact OD1-CB 3.39Å; D408-T410 WeakPolarHBondContact OD1-CG2 3.2Å; D408-T410 PolarHBondContact OD1-N 2.87Å; D408-T410 PolarHBondContact OD1-OG1 3.3Å; D408-T410 PolarHBondContact OD2-OG1 3.47Å
409	M	27.4	Very low	30.4	Very low	177 Å²	177	151.5 Å²	151.5	87%	0.872	80%	0.804	S	S	*	*			trans	-79.7	20.2	-179.7	-66.1	-171.8	70	0	0	114.4	I407	I407-M409 HydrophobicContact CG2-CG 4.08Å; I407-M409 PolarHBondContact O-N 2.87Å
410	T	30.5	Very low	30.6	Very low	112 Å²	112	154.2 Å²	154.2	69%	0.687	81%	0.81	S	S	*	*			trans	-110.5	30.8	-171.3	71.6	0	0	0	0	116.5	D408	D408-T410 PolarHBondContact O-N 3.32Å; D408-T410 VanDerWaalsContact O-N 3.17Å; D408-T410 VanDerWaalsContact OD1-CB 3.29Å; D408-T410 WeakPolarHBondContact OD1-CB 3.39Å; D408-T410 WeakPolarHBondContact OD1-CG2 3.2Å; D408-T410 PolarHBondContact OD1-N 2.87Å; D408-T410 PolarHBondContact OD1-OG1 3.3Å; D408-T410 PolarHBondContact OD2-OG1 3.47Å
411	S	33.2	Very low	30.8	Very low	111 Å²	111	155.8 Å²	155.8	78%	0.776	81%	0.809	S	S	*	*			trans	-143.8	100.5	171.7	-83.2	0	0	0	0	115.5	R413	S411-R413 PolarHBondContact O-N 2.84Å
412	G	25.1	Very low	31.1	Very low	89 Å²	89	159.3 Å²	159.3	92%	0.918	81%	0.814	S	S	*	*			trans	-79	75.4	173.3	0	0	0	0	0	114
413	R	32.2	Very low	30.9	Very low	233 Å²	233	157.1 Å²	157.1	88%	0.879	80%	0.803	S	S	*	*			trans	-141.3	135	161.6	-82.3	-166.5	178.8	-158.2	-2.4	112	S411	S411-R413 PolarHBondContact O-N 2.84Å
414	R	25.4	Very low	31.1	Very low	255 Å²	255	157.1 Å²	157.1	96%	0.962	81%	0.805	S	S	*	*			trans	-93.7	108.9	-178.8	-175.1	-172.5	-165.1	-176.9	6.2	110
415	I	33.3	Very low	31.1	Very low	155 Å²	155	156.6 Å²	156.6	80%	0.795	81%	0.807	S	S	*	*			trans	-134.9	143.3	168.9	-60.8	-177.5	0	0	0	107.8
416	Q	34.3	Very low	30.9	Very low	186 Å²	186	152.9 Å²	152.9	87%	0.869	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-73.3	140.1	-178.2	-70	156.9	-70	0	0	111.5
417	K	32.4	Very low	31	Very low	177 Å²	177	151.5 Å²	151.5	77%	0.77	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-77.7	123.1	162.1	-72.1	-174	176.7	-175.4	0	108.1
418	N	31.9	Very low	30.7	Very low	163 Å²	163	149 Å²	149	87%	0.872	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-99.5	142.7	143.3	-86.1	6.2	0	0	0	107.2
419	Q	30.7	Very low	30.9	Very low	168 Å²	168	149.5 Å²	149.5	79%	0.785	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-87.7	147.2	171.9	-65.2	166.6	-34.4	0	0	108.7
420	D	34.7	Very low	31.2	Very low	170 Å²	170	145.2 Å²	145.2	91%	0.909	78%	0.776	S	S	*	*			trans	-158.2	135.6	138.4	-96.1	-38.2	0	0	0	108.1
421	N	30.8	Very low	31.3	Very low	150 Å²	150	144.2 Å²	144.2	80%	0.802	76%	0.762	S	S	*	*			trans	-110.6	131.1	-178.9	-63.4	-59.2	0	0	0	109.5
422	H	34.1	Very low	31.3	Very low	176 Å²	176	148.4 Å²	148.4	82%	0.815	77%	0.769	S	S	*	*			trans	-148.2	130.2	142.9	-135	-79.9	0	0	0	110.8
423	C	27.7	Very low	31.5	Very low	98 Å²	98	151.1 Å²	151.1	66%	0.662	76%	0.758	S	S	*	*			trans	-84.5	154	162.4	51.8	0	0	0	0	109.4
424	D	33.2	Very low	31.5	Very low	150 Å²	150	149.3 Å²	149.3	80%	0.802	76%	0.757	S	S	*	*			trans	-162.6	162.7	130.3	-97.7	-33.7	0	0	0	110.5
425	V	28.5	Very low	31.8	Very low	138 Å²	138	145 Å²	145	84%	0.836	75%	0.747	S	S	*	*			trans	-134.7	140.2	-166.6	174.4	0	0	0	0	109.2
426	A	28.6	Very low	31.6	Very low	82 Å²	82	140.9 Å²	140.9	68%	0.678	74%	0.743	S	S	*	*				159.2	141.3	124.4	0	0	0	0	0	115.7
427	T	33.1	Very low	31.4	Very low	136 Å²	136	139.4 Å²	139.4	83%	0.834	74%	0.742	S	S	*	*			trans	69.6	125	152.3	4.7	0	0	0	0	121.7
428	E	27.8	Very low	31.2	Very low	84 Å²	84	140.4 Å²	140.4	39%	0.393	74%	0.742	S	S	.	*			trans	-107	156.2	156.1	-66.8	170.4	85.6	0	0	110	H34	H34-E428 IonicContact CE1-OE2 3.75Å
429	V	34.3	Very low	31.1	Very low	129 Å²	129	137.7 Å²	137.7	78%	0.782	73%	0.731	S	S	*	*			trans	-143.1	109.2	153.5	-175.2	0	0	0	0	111.7
430	N	33.3	Very low	31.1	Very low	88 Å²	88	137.2 Å²	137.2	47%	0.471	73%	0.729	S	S	.	*			trans	36.3	115.1	146.3	-55.1	-11.3	0	0	0	123.2	H34	H34-N430 PolarHBondContact ND1-OD1 3.28Å
431	K	33.3	Very low	30.8	Very low	91 Å²	91	134.7 Å²	134.7	40%	0.396	72%	0.715	S	S	.	*				16.2	138.6	126.3	-44.5	174.9	-164.9	-173.6	0	119.9	Q31 L32 L33	Q31-K431 VanDerWaalsContact OE1-CE 3.23Å; L32-K431 VanDerWaalsContact C-CE 3.5Å; L32-K431 HydrophobicContact CB-CG 4.47Å; L32-K431 WeakPolarHBondContact O-CE 3.49Å; L32-K431 PolarHBondContact O-NZ 3.28Å; L33-K431 WeakPolarHBondContact O-CE 3.33Å
432	E	33	Very low	30.7	Very low	199 Å²	199	133.6 Å²	133.6	93%	0.93	71%	0.709	S	S	*	*				-157.5	174.3	101.5	-116.8	174.4	-151.7	0	0	112.3
433	E	29	Very low	30.6	Very low	146 Å²	146	133.4 Å²	133.4	68%	0.682	71%	0.711	S	S	*	*			trans	-95.8	155.1	-165	-54.2	179.8	144.9	0	0	113.5
434	F	32.1	Very low	30.8	Very low	195 Å²	195	132.1 Å²	132.1	86%	0.855	71%	0.714	S	S	*	*				-158.5	155.5	129	-128.8	-92.4	0	0	0	114
435	H	31.9	Very low	30.6	Very low	164 Å²	164	132.9 Å²	132.9	76%	0.759	72%	0.718	S	S	*	*			trans	-54	151.2	-169.8	-73	61.5	0	0	0	116.7
436	G	28.9	Very low	30.6	Very low	69 Å²	69	131.7 Å²	131.7	71%	0.711	71%	0.714	S	S	*	*			trans	-108.9	173.1	176.3	0	0	0	0	0	115.1
437	N	30.6	Very low	30.6	Very low	155 Å²	155	134.8 Å²	134.8	83%	0.829	72%	0.72	S	S	*	*			trans	-174.5	158.4	168.4	-93.6	-34.7	0	0	0	107.5
438	Y	27.6	Very low	30.4	Very low	197 Å²	197	136.6 Å²	136.6	77%	0.773	72%	0.723	S	S	*	*			cis	-172.3	129	-27.6	-159.1	-99.6	0	0	0	105.9
439	V	29.1	Very low	30.3	Very low	106 Å²	106	141.6 Å²	141.6	64%	0.642	74%	0.744	S	S	*	*			trans	67.4	149.3	166.1	162.9	0	0	0	0	113.8
440	Q	31.3	Very low	30	Very low	159 Å²	159	140.2 Å²	140.2	74%	0.743	74%	0.74	S	S	*	*			cis	-159.9	140.4	44.1	-152.1	137.5	13.7	0	0	115.1
441	N	28.5	Very low	29.9	Very low	117 Å²	117	145.1 Å²	145.1	63%	0.626	76%	0.757	S	S	*	*			trans	50.3	122.5	139.9	-64.2	6.4	0	0	0	125
442	N	29.1	Very low	29.5	Very low	126 Å²	126	148.9 Å²	148.9	67%	0.674	78%	0.78	S	S	*	*				92	129.6	118.2	-72.2	2.9	0	0	0	125
443	M	31	Very low	29.2	Very low	173 Å²	173	144.3 Å²	144.3	85%	0.852	77%	0.77	S	S	*	*			trans	80.3	149.9	136.9	-75.5	147.5	53.6	0	0	120.9
444	G	32.9	Very low	29.2	Very low	70 Å²	70	142.1 Å²	142.1	72%	0.722	77%	0.771	S	S	*	*			trans	91.4	114.2	-165.2	0	0	0	0	0	110.9
445	N	28.6	Very low	29	Very low	166 Å²	166	140.5 Å²	140.5	89%	0.888	77%	0.766	S	S	*	*			cis	53.9	127.4	28	-84.1	-1	0	0	0	113.1
446	C	28.3	Very low	28.8	Very low	113 Å²	113	141.8 Å²	141.8	76%	0.764	78%	0.775	S	S	*	*			cis	-156.1	-179.8	10.7	53.1	0	0	0	0	113.3
447	N	28.8	Very low	28.9	Very low	148 Å²	148	146.3 Å²	146.3	79%	0.791	78%	0.777	S	S	*	*			trans	-58.7	153.5	-179.8	-33.6	-74.7	0	0	0	113.2
448	L	28.2	Very low	28.8	Very low	173 Å²	173	147.6 Å²	147.6	91%	0.906	78%	0.778	S	S	*	*				-153.6	165.3	112.5	-141.2	61.2	0	0	0	113.8
449	F	27.1	Very low	28.9	Very low	190 Å²	190	143.6 Å²	143.6	83%	0.833	78%	0.779	S	S	*	*			trans	-94.5	156.6	-176.1	-122.2	-107.8	0	0	0	112
450	S	28	Very low	29	Very low	100 Å²	100	147.7 Å²	147.7	70%	0.699	79%	0.794	S	S	*	*			trans	81.1	156.8	144.4	83	0	0	0	0	121.3
451	K	30.4	Very low	29.2	Very low	190 Å²	190	146.3 Å²	146.3	83%	0.826	80%	0.795	S	S	*	*			trans	66.3	97.4	163.1	-71.1	-176.7	174.9	-179.9	0	118.8	S453	K451-S453 PolarHBondContact O-N 3.25Å
452	I	25.3	Very low	29.4	Very low	171 Å²	171	146.5 Å²	146.5	88%	0.877	80%	0.801	S	S	*	*			trans	-48.7	115.7	138.1	-60.8	162.6	0	0	0	108.9
453	S	26.5	Very low	29.5	Very low	103 Å²	103	145.5 Å²	145.5	72%	0.72	80%	0.804	S	S	*	*			trans	-175.8	138.6	151.8	-99.7	0	0	0	0	111.5	K451	K451-S453 PolarHBondContact O-N 3.25Å
454	S	29	Very low	29.7	Very low	100 Å²	100	142.6 Å²	142.6	70%	0.699	80%	0.801	S	S	*	*			trans	69.1	128.5	157.4	-59.2	0	0	0	0	121.2
455	Q	29.1	Very low	30	Very low	161 Å²	161	144.7 Å²	144.7	75%	0.752	80%	0.8	S	S	*	*			trans	62.9	103.1	144.3	-68.8	165.9	-82.9	0	0	119.1
456	M	26.8	Very low	30.5	Very low	191 Å²	191	144.7 Å²	144.7	94%	0.941	80%	0.799	S	S	*	*			trans	-66.8	135.2	139.8	-66.6	165	54.2	0	0	109
457	E	30.8	Very low	31.1	Very low	163 Å²	163	147 Å²	147	76%	0.762	80%	0.802	S	S	*	*			trans	-150.1	166.7	159.9	-151.4	150.4	-133.1	0	0	108.8
458	E	28.8	Very low	31.9	Very low	183 Å²	183	145.1 Å²	145.1	86%	0.855	80%	0.798	S	S	*	*			trans	54.8	77.5	177.1	-57.2	-158.1	137.3	0	0	118.2
459	S	29.9	Very low	32.4	Very low	113 Å²	113	146 Å²	146	79%	0.79	80%	0.795	S	S	*	*				-171.5	113.7	111.9	46.8	0	0	0	0	113.1
460	M	31.4	Very low	33	Very low	192 Å²	192	141.8 Å²	141.8	95%	0.946	79%	0.789	S	S	*	*			trans	-172.5	149.7	130.7	-102.1	172.5	-162.5	0	0	110
461	V	35.9	Very low	33.6	Very low	129 Å²	129	143.1 Å²	143.1	78%	0.782	79%	0.793	S	S	*	*			trans	-110.1	124.3	-161.2	175.4	0	0	0	0	110.8
462	T	32.5	Very low	34	Very low	122 Å²	122	138.1 Å²	138.1	75%	0.748	79%	0.787	S	S	*	*			trans	52.3	119.5	162.8	59.5	0	0	0	0	119.1
463	S	30.8	Very low	34.8	Very low	104 Å²	104	137.5 Å²	137.5	73%	0.727	78%	0.784	S	S	*	*				160.4	138.3	103.5	-72.6	0	0	0	0	113.3
464	S	35.5	Very low	35.4	Very low	113 Å²	113	137.5 Å²	137.5	79%	0.79	78%	0.784	S	S	*	*			trans	67.4	149.8	152.4	-62.1	0	0	0	0	119.5
465	T	37.6	Very low	35.9	Very low	113 Å²	113	137.2 Å²	137.2	69%	0.693	78%	0.782	S	S	*	*			cis	-166.3	140.1	-16.2	-96	0	0	0	0	110.5
466	L	39.1	Very low	36.5	Very low	166 Å²	166	135 Å²	135	87%	0.869	78%	0.784	S	S	*	*			trans	74.4	162.2	164.7	-76.6	165.2	0	0	0	121.8
467	L	40.9	Very low	37.5	Very low	161 Å²	161	131.6 Å²	131.6	84%	0.843	78%	0.777	S	S	*	*			trans	-132.4	-151.2	-160.2	-66.8	163.4	0	0	0	111.2
468	P	46.4	Very low	38	Very low	109 Å²	109	130.4 Å²	130.4	71%	0.708	78%	0.781	S	S	*	*				-133	-167.1	-95.4	44.5	-26.8	0	0	0	114.7
469	K	38.1	Very low	38.4	Very low	192 Å²	192	126.2 Å²	126.2	84%	0.835	77%	0.772	S	S	*	*			trans	140.3	156	160	-80.9	159.2	-177.6	178.7	0	109.6
470	S	40.4	Very low	38.8	Very low	101 Å²	101	126.2 Å²	126.2	71%	0.706	77%	0.772	S	S	*	*			cis	-176.2	162	-18.1	-84.8	0	0	0	0	106.3
471	T	40.6	Very low	39.3	Very low	128 Å²	128	123 Å²	123	79%	0.785	76%	0.763	S	S	*	*			cis	-156	163.3	1.5	3.4	0	0	0	0	108
472	A	39.7	Very low	39.3	Very low	85 Å²	85	122.2 Å²	122.2	70%	0.702	76%	0.763	S	S	*	*				44.1	143.2	91.1	0	0	0	0	0	116.1
473	I	41.3	Very low	39.7	Very low	159 Å²	159	120.7 Å²	120.7	82%	0.815	76%	0.757	S	S	*	*			cis	-149	163.2	27.1	-68.3	174.2	0	0	0	111.7
474	S	38.6	Very low	40	Very low	102 Å²	102	121.9 Å²	121.9	71%	0.713	76%	0.761	S	S	*	*			trans	-17.8	-176.2	166.9	82.7	0	0	0	0	123.5
475	S	39.4	Very low	40.1	Very low	95 Å²	95	122.7 Å²	122.7	66%	0.664	76%	0.76	S	S	*	*			cis	-169.4	150.3	12.2	24.5	0	0	0	0	114.9
476	S	41.2	Very low	39.9	Very low	114 Å²	114	122.6 Å²	122.6	80%	0.797	76%	0.764	S	S	*	*			trans	60.9	152.3	143.7	59.9	0	0	0	0	124.3
477	P	49.2	Very low	39.6	Very low	120 Å²	120	122.8 Å²	122.8	78%	0.779	76%	0.763	S	S	*	*			trans	-122.8	169.4	-176.8	44.1	-32.6	0	0	0	117.3
478	T	39.9	Very low	39.2	Very low	137 Å²	137	121.7 Å²	121.7	84%	0.84	76%	0.757	S	S	*	*			trans	-176.3	160.1	163.6	30.5	0	0	0	0	110.8
479	S	38.7	Very low	38.6	Very low	96 Å²	96	122.4 Å²	122.4	67%	0.671	76%	0.759	S	S	*	*			cis	178.6	151.1	-29.4	54.7	0	0	0	0	111.8
480	S	38.6	Very low	38.1	Very low	113 Å²	113	118.2 Å²	118.2	79%	0.79	75%	0.754	S	S	*	*			trans	70.7	160.7	165.9	82.9	0	0	0	0	117.6
481	T	40.7	Very low	37.6	Very low	125 Å²	125	121.3 Å²	121.3	77%	0.767	76%	0.762	S	S	*	*			cis	-146.3	155.2	5.2	44	0	0	0	0	113.1
482	S	37	Very low	37	Very low	111 Å²	111	120.4 Å²	120.4	78%	0.776	76%	0.761	S	S	*	*			trans	63.7	154.4	151.4	-138.9	0	0	0	0	119.7
483	S	38.9	Very low	36.4	Very low	90 Å²	90	125.6 Å²	125.6	63%	0.629	77%	0.768	S	S	*	*			cis	-152.6	152.3	10.5	-37.3	0	0	0	0	113.2
484	T	38.9	Very low	35.9	Very low	130 Å²	130	124 Å²	124	80%	0.798	77%	0.771	S	S	*	*			trans	32	135.7	135.9	58.7	0	0	0	0	121.5
485	V	37.1	Very low	35.6	Very low	129 Å²	129	125 Å²	125	78%	0.782	77%	0.769	S	S	*	*			cis	-154	138.8	-3.3	-152.7	0	0	0	0	104.9
486	S	34	Very low	35.7	Very low	111 Å²	111	126 Å²	126	78%	0.776	77%	0.773	S	S	*	*				172	151.6	88.9	-79.9	0	0	0	0	113.9
487	M	32.3	Very low	35.2	Very low	171 Å²	171	128.7 Å²	128.7	84%	0.842	77%	0.766	S	S	*	*			trans	-23.2	152.2	157.2	-66.9	-176	-174.6	0	0	118.1
488	L	31.3	Very low	34.5	Very low	137 Å²	137	129.5 Å²	129.5	72%	0.717	77%	0.772	S	S	*	*			cis	-159.1	159.1	5.3	-117.5	167.3	0	0	0	112.6
489	T	34.2	Very low	33.9	Very low	124 Å²	124	128.8 Å²	128.8	76%	0.761	76%	0.762	S	S	*	*			trans	13.4	129.8	160.2	46.4	0	0	0	0	122
490	S	27.8	Very low	33.7	Very low	104 Å²	104	132.2 Å²	132.2	73%	0.727	77%	0.767	S	S	*	*			trans	-86.3	164.1	157.6	55.9	0	0	0	0	113.3
491	L	30.2	Very low	33.4	Very low	167 Å²	167	131.7 Å²	131.7	87%	0.874	76%	0.759	S	S	*	*			trans	77.1	146.2	164.4	-55.6	176.1	0	0	0	119.9
492	S	28.8	Very low	32.7	Very low	108 Å²	108	130.1 Å²	130.1	76%	0.755	75%	0.754	S	S	*	*			trans	80.2	120.9	160.3	-151.5	0	0	0	0	120.2
493	F	27.2	Very low	32.4	Very low	195 Å²	195	131.5 Å²	131.5	86%	0.855	75%	0.752	S	S	*	*			trans	17.6	120.9	150.5	-72.4	-97.4	0	0	0	120.3
494	S	30.8	Very low	31.9	Very low	124 Å²	124	133.8 Å²	133.8	87%	0.867	76%	0.756	S	S	*	*				-166.7	154	107.2	-83	0	0	0	0	112.8
495	N	30.9	Very low	31.4	Very low	125 Å²	125	135.3 Å²	135.3	67%	0.668	76%	0.756	S	S	*	*			trans	-106.7	134.4	-178.1	-174.2	51.6	0	0	0	110.3	Y497	N495-Y497 PolarHBondContact O-N 3.43Å
496	P	41.6	Very low	31.1	Very low	116 Å²	116	133.8 Å²	133.8	75%	0.753	75%	0.749	S	S	*	*			trans	-77.9	120.1	172.3	30.3	-31.8	0	0	0	111
497	Y	30.7	Very low	30.8	Very low	169 Å²	169	135.1 Å²	135.1	66%	0.663	75%	0.746	S	S	*	*			trans	-72.2	166.3	174	-78.6	-78	0	0	0	112.1	N495 L499	N495-Y497 PolarHBondContact O-N 3.43Å; Y497-L499 HydrophobicContact CD1-CB 3.95Å; Y497-L499 HydrophobicContact CD1-CD1 3.81Å; Y497-L499 HydrophobicContact CD1-CG 3.65Å; Y497-L499 HydrophobicContact CE1-CB 4.4Å; Y497-L499 HydrophobicContact CE1-CD1 3.4Å; Y497-L499 VanDerWaalsContact CE1-CD1 3.4Å; Y497-L499 HydrophobicContact CE1-CG 3.65Å; Y497-L499 HydrophobicContact CG-CB 4.44Å
498	P	34.4	Very low	30.8	Very low	137 Å²	137	133.2 Å²	133.2	89%	0.89	74%	0.739	S	S	*	*				-114	136.5	87	-10.4	29.3	0	0	0	114.6
499	L	28.9	Very low	30.7	Very low	122 Å²	122	130.2 Å²	130.2	64%	0.639	72%	0.724	S	S	*	*			trans	-112.6	121.7	168	-115.9	173.3	0	0	0	106.5	Y497	Y497-L499 HydrophobicContact CD1-CB 3.95Å; Y497-L499 HydrophobicContact CD1-CD1 3.81Å; Y497-L499 HydrophobicContact CD1-CG 3.65Å; Y497-L499 HydrophobicContact CE1-CB 4.4Å; Y497-L499 HydrophobicContact CE1-CD1 3.4Å; Y497-L499 VanDerWaalsContact CE1-CD1 3.4Å; Y497-L499 HydrophobicContact CE1-CG 3.65Å; Y497-L499 HydrophobicContact CG-CB 4.44Å
500	H	33.6	Very low	30.6	Very low	168 Å²	168	129.5 Å²	129.5	78%	0.778	72%	0.715	S	S	*	*			trans	-159	128	154.8	-130.7	-94.1	0	0	0	114.1
501	T	31.2	Very low	30.9	Very low	102 Å²	102	133.1 Å²	133.1	63%	0.626	72%	0.72	S	S	*	*			trans	41.4	106.2	150.8	50.2	0	0	0	0	120.8
502	S	26.7	Very low	31.3	Very low	93 Å²	93	133.4 Å²	133.4	65%	0.65	71%	0.71	S	S	*	*				32.5	118.3	121.9	59.7	0	0	0	0	119.8
503	N	30.2	Very low	31.5	Very low	140 Å²	140	132.1 Å²	132.1	75%	0.749	70%	0.695	S	S	*	*				-176.3	123.9	111	-89.7	-25.8	0	0	0	114.3
504	I	29.8	Very low	31.6	Very low	138 Å²	138	132.8 Å²	132.8	71%	0.708	69%	0.691	S	S	*	*				51.2	109.7	128	-56.5	167.2	0	0	0	119.9
505	M	27.5	Very low	31.9	Very low	162 Å²	162	131 Å²	131	80%	0.798	68%	0.675	S	S	*	*			trans	61.6	168.4	149	-74.5	174	61.1	0	0	120.2
506	P	31.3	Very low	32	Very low	97 Å²	97	130.4 Å²	130.4	63%	0.63	67%	0.672	S	S	*	*			cis	-118.7	148.6	-27.6	24.3	-4.5	0	0	0	111.7
507	I	27.3	Very low	31.5	Very low	139 Å²	139	133.9 Å²	133.9	71%	0.713	68%	0.676	S	S	*	*				41.6	115	91.3	-49.9	175.7	0	0	0	114
508	N	31.6	Very low	31.6	Very low	131 Å²	131	129.1 Å²	129.1	70%	0.701	66%	0.664	S	S	*	*			trans	-145.2	104.2	158.9	-167.1	-13.1	0	0	0	110.9	N510	N508-N510 VanDerWaalsContact C-N 3.27Å; N508-N510 PolarHBondContact O-N 2.95Å
509	D	30.1	Very low	31.9	Very low	73 Å²	73	125.9 Å²	125.9	39%	0.39	65%	0.645	S	S	.	*			trans	-52.7	20.5	-161.6	-64.7	-89.3	0	0	0	121.3	H511 R512 N513	D509-H511 VanDerWaalsContact C-N 3.28Å; D509-H511 PolarHBondContact O-N 3.24Å; D509-H511 VanDerWaalsContact O-N 3.08Å; D509-R512 PolarHBondContact O-N 3.4Å; D509-N513 PolarHBondContact O-N 3.4Å; D509-N513 VanDerWaalsContact O-N 3.14Å
510	N	32.1	Very low	32.3	Very low	109 Å²	109	126.5 Å²	126.5	58%	0.583	64%	0.644	S	S	*	*	H	α-helix	trans	-58.5	-31.4	-170.2	-76.4	-37.6	0	0	0	115.4	N508 R512 N513 W514	N508-N510 VanDerWaalsContact C-N 3.27Å; N508-N510 PolarHBondContact O-N 2.95Å; N510-R512 VanDerWaalsContact C-N 3.28Å; N510-R512 PolarHBondContact O-N 3.17Å; N510-N513 PolarHBondContact O-N 2.92Å; N510-W514 PolarHBondContact O-N 3.24Å
511	H	34.7	Very low	32.6	Very low	180 Å²	180	127.1 Å²	127.1	83%	0.833	65%	0.645	S	S	*	*	H	α-helix	trans	-73.6	-14.8	175.4	-110.9	-74.7	0	0	0	114.8	D509	D509-H511 VanDerWaalsContact C-N 3.28Å; D509-H511 PolarHBondContact O-N 3.24Å; D509-H511 VanDerWaalsContact O-N 3.08Å
512	R	37.1	Very low	33.1	Very low	173 Å²	173	129.4 Å²	129.4	65%	0.653	65%	0.647	S	S	*	*	H	α-helix	trans	-97.2	-24.3	175.4	-164.5	176.2	-177.4	-162.9	0.2	112.2	D509 N510 T515 N516	D509-R512 PolarHBondContact O-N 3.4Å; N510-R512 VanDerWaalsContact C-N 3.28Å; N510-R512 PolarHBondContact O-N 3.17Å; R512-T515 PolarHBondContact O-OG1 3.15Å; R512-N516 PolarHBondContact O-ND2 2.9Å
513	N	33.9	Very low	33.8	Very low	82 Å²	82	129.9 Å²	129.9	44%	0.439	64%	0.64	S	S	.	*	H	α-helix	trans	-75.7	-38.2	175.3	-70.4	-23.4	0	0	0	112.4	D509 N510 T515 N516 F517	D509-N513 PolarHBondContact O-N 3.4Å; D509-N513 VanDerWaalsContact O-N 3.14Å; N510-N513 PolarHBondContact O-N 2.92Å; N513-T515 VanDerWaalsContact C-N 3.3Å; N513-T515 PolarHBondContact O-N 3.49Å; N513-N516 PolarHBondContact O-N 2.77Å; N513-F517 WeakPolarHBondContact O-CB 3.31Å; N513-F517 PolarHBondContact O-N 3.47Å
514	W	29.5	Very low	34.4	Very low	208 Å²	208	127.4 Å²	127.4	79%	0.788	63%	0.626	S	S	*	*	H	α-helix	trans	-65.7	-30.7	-176.3	-135.8	47.9	0	0	0	113.9	N510 T518	N510-W514 PolarHBondContact O-N 3.24Å; W514-T518 WeakPolarHBondContact O-CG2 3.45Å; W514-T518 PolarHBondContact O-OG1 2.93Å
515	T	35.9	Very low	35.5	Very low	86 Å²	86	127.1 Å²	127.1	53%	0.528	62%	0.62	S	S	.	*	H	α-helix	trans	-78.6	-32.8	175	41.6	0	0	0	0	113.2	R512 N513 S519	R512-T515 PolarHBondContact O-OG1 3.15Å; N513-T515 VanDerWaalsContact C-N 3.3Å; N513-T515 PolarHBondContact O-N 3.49Å; T515-S519 PolarHBondContact O-OG 3.48Å
516	N	33.2	Very low	36.2	Very low	113 Å²	113	123.6 Å²	123.6	60%	0.604	60%	0.604	S	S	*	*	H	α-helix	trans	-83	-38.7	179.3	-72.8	-14.6	0	0	0	113.2	R512 N513 T518	R512-N516 PolarHBondContact O-ND2 2.9Å; N513-N516 PolarHBondContact O-N 2.77Å; N516-T518 PolarHBondContact O-N 3.3Å
517	F	31.7	Very low	37.1	Very low	190 Å²	190	123.1 Å²	123.1	83%	0.833	60%	0.595	S	S	*	*	H	α-helix	trans	-71.5	-15	-173.6	-164	-99.2	0	0	0	114	N513	N513-F517 WeakPolarHBondContact O-CB 3.31Å; N513-F517 PolarHBondContact O-N 3.47Å
518	T	33.2	Very low	38.3	Very low	69 Å²	69	123.3 Å²	123.3	42%	0.423	59%	0.591	S	S	.	*	H	α-helix	trans	-108.5	-19.2	-171.5	52.2	0	0	0	0	114.6	W514 N516	W514-T518 WeakPolarHBondContact O-CG2 3.45Å; W514-T518 PolarHBondContact O-OG1 2.93Å; N516-T518 PolarHBondContact O-N 3.3Å
519	S	39.8	Very low	39	Very low	68 Å²	68	121.3 Å²	121.3	48%	0.476	58%	0.58	S	S	.	*	H	α-helix	trans	-114.5	-18.5	-157.5	-63.2	0	0	0	0	116.6	T515 M523	T515-S519 PolarHBondContact O-OG 3.48Å; S519-M523 WeakPolarHBondContact O-CG 3.38Å
520	Q	38.2	Very low	39.5	Very low	135 Å²	135	124 Å²	124	63%	0.631	59%	0.588	S	S	*	*	S	Bend	trans	-97.5	-71	-179.3	-146.4	80.1	39.7	0	0	112.2	K522 M523 D524	Q520-K522 VanDerWaalsContact C-N 3.29Å; Q520-K522 PolarHBondContact O-N 3.17Å; Q520-M523 PolarHBondContact O-N 2.9Å; Q520-D524 PolarHBondContact O-N 3.05Å
521	F	39.5	Very low	40.3	Very low	182 Å²	182	123.4 Å²	123.4	80%	0.798	58%	0.584	S	S	*	*	H	α-helix	trans	-60.8	-30.4	-174.4	-85.3	-83.7	0	0	0	114.8	K525	F521-K525 PolarHBondContact O-N 2.67Å; F521-K525 VanDerWaalsContact O-N 3.17Å
522	K	42.7	Very low	41.1	Very low	150 Å²	150	120 Å²	120	65%	0.652	57%	0.571	S	S	*	*	H	α-helix	trans	-70.2	-39.3	172.5	-82.9	-169	172.7	-173.4	0	112.1	Q520 K525 I526	Q520-K522 VanDerWaalsContact C-N 3.29Å; Q520-K522 PolarHBondContact O-N 3.17Å; K522-K525 PolarHBondContact O-N 2.92Å; K522-I526 WeakPolarHBondContact O-CB 3.31Å; K522-I526 WeakPolarHBondContact O-CD1 3.46Å; K522-I526 WeakPolarHBondContact O-CG1 3.28Å; K522-I526 PolarHBondContact O-N 3.44Å
523	M	40.5	Very low	41.3	Very low	103 Å²	103	118.9 Å²	118.9	51%	0.507	57%	0.568	S	S	.	*	H	α-helix	trans	-67.3	-43.7	177.7	-66.1	-63.2	-78.4	0	0	110.9	S519 Q520 K525 I526 I527	S519-M523 WeakPolarHBondContact O-CG 3.38Å; Q520-M523 PolarHBondContact O-N 2.9Å; M523-K525 VanDerWaalsContact C-N 3.34Å; M523-K525 PolarHBondContact O-N 3.02Å; M523-I526 PolarHBondContact O-N 3.41Å; M523-I527 WeakPolarHBondContact O-CB 3.34Å; M523-I527 WeakPolarHBondContact O-CD1 3.44Å; M523-I527 WeakPolarHBondContact O-CG1 3.43Å; M523-I527 PolarHBondContact O-N 3.44Å
524	D	42.5	Very low	41.7	Very low	87 Å²	87	118.9 Å²	118.9	47%	0.465	57%	0.568	S	S	.	*	H	α-helix	trans	-62.3	-38.5	176.1	-79.8	3.9	0	0	0	112.8	Q520 K528	Q520-D524 PolarHBondContact O-N 3.05Å; D524-K528 WeakPolarHBondContact O-CB 3.4Å; D524-K528 WeakPolarHBondContact O-CG 3.49Å; D524-K528 PolarHBondContact O-N 3.09Å
525	K	53.2	Low	42.4	Very low	133 Å²	133	114.5 Å²	114.5	58%	0.578	56%	0.556	S	S	*	*	H	α-helix	trans	-71.2	-36.8	175.3	-164.1	170.8	-175.4	177.6	0	112	F521 K522 M523 N529	F521-K525 PolarHBondContact O-N 2.67Å; F521-K525 VanDerWaalsContact O-N 3.17Å; K522-K525 PolarHBondContact O-N 2.92Å; M523-K525 VanDerWaalsContact C-N 3.34Å; M523-K525 PolarHBondContact O-N 3.02Å; K525-N529 VanDerWaalsContact O-CB 3.32Å; K525-N529 WeakPolarHBondContact O-CB 3.35Å; K525-N529 VanDerWaalsContact O-CG 3.25Å; K525-N529 PolarHBondContact O-N 3.04Å; K525-N529 PolarHBondContact O-OD1 2.96Å
526	I	43.2	Very low	42.9	Very low	88 Å²	88	112.2 Å²	112.2	45%	0.451	54%	0.544	S	S	.	.	H	α-helix	trans	-65.4	-45.5	173.3	-71.7	164.3	0	0	0	110.7	K522 M523 N529 F530	K522-I526 WeakPolarHBondContact O-CB 3.31Å; K522-I526 WeakPolarHBondContact O-CD1 3.46Å; K522-I526 WeakPolarHBondContact O-CG1 3.28Å; K522-I526 PolarHBondContact O-N 3.44Å; M523-I526 PolarHBondContact O-N 3.41Å; I526-N529 PolarHBondContact O-N 3.31Å; I526-F530 HydrophobicContact CG2-CD2 4.31Å; I526-F530 WeakPolarHBondContact O-CB 3.37Å; I526-F530 PolarHBondContact O-N 3.45Å
527	I	48.5	Very low	43.5	Very low	86 Å²	86	112.9 Å²	112.9	44%	0.441	54%	0.543	S	S	.	.	H	α-helix	trans	-64.1	-43.6	179.1	-69.8	163.4	0	0	0	110.9	M523 F530 L531	M523-I527 WeakPolarHBondContact O-CB 3.34Å; M523-I527 WeakPolarHBondContact O-CD1 3.44Å; M523-I527 WeakPolarHBondContact O-CG1 3.43Å; M523-I527 PolarHBondContact O-N 3.44Å; I527-F530 PolarHBondContact O-N 2.89Å; I527-L531 HydrophobicContact CG2-CD1 4.02Å; I527-L531 WeakPolarHBondContact O-CG 3.32Å; I527-L531 PolarHBondContact O-N 3.23Å
528	K	52.8	Low	44.1	Very low	144 Å²	144	108.8 Å²	108.8	63%	0.626	53%	0.525	S	S	*	.	H	α-helix	trans	-62.3	-44.6	173.2	-77.5	-176.5	176.2	-176.4	0	111.9	D524 F530 L531 I532	D524-K528 WeakPolarHBondContact O-CB 3.4Å; D524-K528 WeakPolarHBondContact O-CG 3.49Å; D524-K528 PolarHBondContact O-N 3.09Å; K528-F530 VanDerWaalsContact C-N 3.33Å; K528-F530 PolarHBondContact O-N 2.91Å; K528-L531 PolarHBondContact O-N 3.01Å; K528-I532 WeakPolarHBondContact O-CB 3.4Å; K528-I532 WeakPolarHBondContact O-CD1 3.46Å; K528-I532 VanDerWaalsContact O-CG1 3.23Å; K528-I532 WeakPolarHBondContact O-CG1 3.39Å; K528-I532 PolarHBondContact O-N 3.44Å
529	N	46.4	Very low	44.6	Very low	89 Å²	89	110.7 Å²	110.7	48%	0.476	53%	0.533	S	S	.	.	H	α-helix	trans	-63.1	-38.1	175.5	-76	17.5	0	0	0	111.9	K525 I526 I532 Y533	K525-N529 VanDerWaalsContact O-CB 3.32Å; K525-N529 WeakPolarHBondContact O-CB 3.35Å; K525-N529 VanDerWaalsContact O-CG 3.25Å; K525-N529 PolarHBondContact O-N 3.04Å; K525-N529 PolarHBondContact O-OD1 2.96Å; I526-N529 PolarHBondContact O-N 3.31Å; N529-I532 PolarHBondContact O-N 2.99Å; N529-Y533 VanDerWaalsContact O-CB 3.32Å; N529-Y533 WeakPolarHBondContact O-CB 3.37Å; N529-Y533 PolarHBondContact O-N 3.5Å
530	F	40.6	Very low	44.7	Very low	128 Å²	128	116.4 Å²	116.4	56%	0.561	55%	0.545	S	S	*	.	H	α-helix	trans	-67.4	-40.6	177.1	-121.6	-76.3	0	0	0	112.4	I526 I527 K528 Y533 D534	I526-F530 HydrophobicContact CG2-CD2 4.31Å; I526-F530 WeakPolarHBondContact O-CB 3.37Å; I526-F530 PolarHBondContact O-N 3.45Å; I527-F530 PolarHBondContact O-N 2.89Å; K528-F530 VanDerWaalsContact C-N 3.33Å; K528-F530 PolarHBondContact O-N 2.91Å; F530-Y533 PolarHBondContact O-N 3.13Å; F530-D534 VanDerWaalsContact O-CB 3.28Å; F530-D534 WeakPolarHBondContact O-CB 3.46Å; F530-D534 PolarHBondContact O-N 3.15Å
531	L	48.5	Very low	44.9	Very low	97 Å²	97	113.6 Å²	113.6	51%	0.508	54%	0.541	S	S	.	.	H	α-helix	trans	-65.6	-43.8	174.6	-75.4	165.3	0	0	0	111.5	I527 K528 Y533 D534 Q535	I527-L531 HydrophobicContact CG2-CD1 4.02Å; I527-L531 WeakPolarHBondContact O-CG 3.32Å; I527-L531 PolarHBondContact O-N 3.23Å; K528-L531 PolarHBondContact O-N 3.01Å; L531-Y533 VanDerWaalsContact C-N 3.29Å; L531-Y533 PolarHBondContact O-N 3.19Å; L531-D534 PolarHBondContact O-N 3.41Å; L531-Q535 WeakPolarHBondContact O-CB 3.42Å; L531-Q535 VanDerWaalsContact O-CG 3.26Å; L531-Q535 WeakPolarHBondContact O-CG 3.35Å; L531-Q535 PolarHBondContact O-N 3.36Å; L531-Q535 PolarHBondContact O-OE1 3.37Å
532	I	51.3	Low	45	Very low	108 Å²	108	112.9 Å²	112.9	55%	0.554	54%	0.54	S	S	*	.	H	α-helix	trans	-62.1	-38.9	174.3	-68.5	164.7	0	0	0	110.6	K528 N529 S536	K528-I532 WeakPolarHBondContact O-CB 3.4Å; K528-I532 WeakPolarHBondContact O-CD1 3.46Å; K528-I532 VanDerWaalsContact O-CG1 3.23Å; K528-I532 WeakPolarHBondContact O-CG1 3.39Å; K528-I532 PolarHBondContact O-N 3.44Å; N529-I532 PolarHBondContact O-N 2.99Å; I532-S536 WeakPolarHBondContact O-CB 3.43Å; I532-S536 PolarHBondContact O-N 2.93Å; I532-S536 PolarHBondContact O-OG 3.23Å
533	Y	42.9	Very low	44.9	Very low	151 Å²	151	110 Å²	110	59%	0.592	54%	0.539	S	S	*	.	H	α-helix	trans	-70	-46.1	178.4	-151.9	-80.3	0	0	0	112	N529 F530 L531 Q535 S536 E537	N529-Y533 VanDerWaalsContact O-CB 3.32Å; N529-Y533 WeakPolarHBondContact O-CB 3.37Å; N529-Y533 PolarHBondContact O-N 3.5Å; F530-Y533 PolarHBondContact O-N 3.13Å; L531-Y533 VanDerWaalsContact C-N 3.29Å; L531-Y533 PolarHBondContact O-N 3.19Å; Y533-Q535 VanDerWaalsContact C-N 3.25Å; Y533-Q535 PolarHBondContact O-N 3.45Å; Y533-S536 WeakPolarHBondContact CA-OG 3.1Å; Y533-S536 PolarHBondContact O-N 2.58Å; Y533-S536 VanDerWaalsContact O-N 3.12Å; Y533-S536 PolarHBondContact O-OG 2.95Å; Y533-E537 PolarHBondContact O-N 3.16Å
534	D	41.4	Very low	44.9	Very low	81 Å²	81	109 Å²	109	43%	0.433	55%	0.546	S	S	.	.	H	α-helix	trans	-64.9	-25.9	177	177.5	70.4	0	0	0	113.1	F530 L531 K538	F530-D534 VanDerWaalsContact O-CB 3.28Å; F530-D534 WeakPolarHBondContact O-CB 3.46Å; F530-D534 PolarHBondContact O-N 3.15Å; L531-D534 PolarHBondContact O-N 3.41Å; D534-K538 WeakPolarHBondContact O-CG 3.41Å; D534-K538 PolarHBondContact O-NZ 3.02Å; D534-K538 IonicContact OD1-NZ 3.92Å; D534-K538 PolarHBondContact OD1-NZ 2.94Å; D534-K538 IonicContact OD2-NZ 2.8Å; D534-K538 PolarHBondContact OD2-NZ 3.31Å
535	Q	45.1	Very low	44.6	Very low	116 Å²	116	112.2 Å²	112.2	54%	0.542	56%	0.563	S	S	.	*	H	α-helix	trans	-76.4	-47.3	168.1	-71.2	175.5	-56.7	0	0	110.9	L531 Y533 E537 K538 D539	L531-Q535 WeakPolarHBondContact O-CB 3.42Å; L531-Q535 VanDerWaalsContact O-CG 3.26Å; L531-Q535 WeakPolarHBondContact O-CG 3.35Å; L531-Q535 PolarHBondContact O-N 3.36Å; L531-Q535 PolarHBondContact O-OE1 3.37Å; Y533-Q535 VanDerWaalsContact C-N 3.25Å; Y533-Q535 PolarHBondContact O-N 3.45Å; Q535-E537 VanDerWaalsContact C-N 3.31Å; Q535-E537 PolarHBondContact O-N 2.89Å; Q535-K538 WeakPolarHBondContact O-CB 3.34Å; Q535-K538 PolarHBondContact O-N 3.33Å; Q535-K538 VanDerWaalsContact O-N 3.07Å; Q535-D539 PolarHBondContact O-N 3.12Å
536	S	45.8	Very low	43.5	Very low	38 Å²	38	113.2 Å²	113.2	27%	0.266	57%	0.574	S	S	.	*	H	α-helix	trans	-61.4	-34.6	177.5	74.2	0	0	0	0	113.9	I532 Y533 K538 D539 Y540	I532-S536 WeakPolarHBondContact O-CB 3.43Å; I532-S536 PolarHBondContact O-N 2.93Å; I532-S536 PolarHBondContact O-OG 3.23Å; Y533-S536 WeakPolarHBondContact CA-OG 3.1Å; Y533-S536 PolarHBondContact O-N 2.58Å; Y533-S536 VanDerWaalsContact O-N 3.12Å; Y533-S536 PolarHBondContact O-OG 2.95Å; S536-K538 VanDerWaalsContact C-N 3.3Å; S536-K538 PolarHBondContact O-N 3.01Å; S536-D539 PolarHBondContact O-N 2.85Å; S536-Y540 WeakPolarHBondContact O-CB 3.44Å; S536-Y540 WeakPolarHBondContact O-CD2 3.22Å; S536-Y540 PolarHBondContact O-N 3.04Å
537	E	45.5	Very low	42.9	Very low	127 Å²	127	118.3 Å²	118.3	59%	0.593	59%	0.594	S	S	*	*	H	α-helix	trans	-75.5	-20	178.6	-163.8	161.8	-133.5	0	0	112.1	Y533 Q535 S541	Y533-E537 PolarHBondContact O-N 3.16Å; Q535-E537 VanDerWaalsContact C-N 3.31Å; Q535-E537 PolarHBondContact O-N 2.89Å; E537-S541 WeakPolarHBondContact O-CB 3.43Å; E537-S541 PolarHBondContact O-N 3.01Å; E537-S541 PolarHBondContact O-OG 2.93Å
538	K	45.2	Very low	42.2	Very low	104 Å²	104	120.5 Å²	120.5	45%	0.452	61%	0.611	S	S	.	*	H	α-helix	trans	-75.1	-53.4	165.5	-71.3	175.2	-170.9	69.9	0	110.4	D534 Q535 S536 Y540 S541 E542	D534-K538 WeakPolarHBondContact O-CG 3.41Å; D534-K538 PolarHBondContact O-NZ 3.02Å; D534-K538 IonicContact OD1-NZ 3.92Å; D534-K538 PolarHBondContact OD1-NZ 2.94Å; D534-K538 IonicContact OD2-NZ 2.8Å; D534-K538 PolarHBondContact OD2-NZ 3.31Å; Q535-K538 WeakPolarHBondContact O-CB 3.34Å; Q535-K538 PolarHBondContact O-N 3.33Å; Q535-K538 VanDerWaalsContact O-N 3.07Å; S536-K538 VanDerWaalsContact C-N 3.3Å; S536-K538 PolarHBondContact O-N 3.01Å; K538-Y540 VanDerWaalsContact C-N 3.28Å; K538-Y540 PolarHBondContact O-N 3.23Å; K538-S541 PolarHBondContact O-N 2.74Å; K538-S541 PolarHBondContact O-OG 3.11Å; K538-E542 PolarHBondContact O-N 3.4Å; K538-E542 VanDerWaalsContact O-N 3.15Å
539	D	42.7	Very low	41.2	Very low	110 Å²	110	119.3 Å²	119.3	59%	0.588	62%	0.616	S	S	*	*	H	α-helix	trans	-57.2	-38.7	-177.7	-62.3	-19.1	0	0	0	112.4	Q535 S536 S543	Q535-D539 PolarHBondContact O-N 3.12Å; S536-D539 PolarHBondContact O-N 2.85Å; D539-S543 PolarHBondContact O-N 3.32Å
540	Y	41.8	Very low	40.5	Very low	187 Å²	187	120.9 Å²	120.9	73%	0.733	63%	0.629	S	S	*	*	H	α-helix	trans	-80.8	-10.3	175.8	-85.9	-75.5	0	0	0	115.2	S536 K538	S536-Y540 WeakPolarHBondContact O-CB 3.44Å; S536-Y540 WeakPolarHBondContact O-CD2 3.22Å; S536-Y540 PolarHBondContact O-N 3.04Å; K538-Y540 VanDerWaalsContact C-N 3.28Å; K538-Y540 PolarHBondContact O-N 3.23Å
541	S	43	Very low	40.2	Very low	76 Å²	76	120.6 Å²	120.6	53%	0.531	64%	0.638	S	S	.	*	H	α-helix	trans	-90.1	-28.8	173.7	72.2	0	0	0	0	112.8	E537 K538	E537-S541 WeakPolarHBondContact O-CB 3.43Å; E537-S541 PolarHBondContact O-N 3.01Å; E537-S541 PolarHBondContact O-OG 2.93Å; K538-S541 PolarHBondContact O-N 2.74Å; K538-S541 PolarHBondContact O-OG 3.11Å
542	E	40.9	Very low	39.5	Very low	168 Å²	168	122.2 Å²	122.2	79%	0.785	65%	0.652	S	S	*	*	H	α-helix	trans	-81.8	-27	178.5	-159.5	157	-141.9	0	0	112	K538 A544	K538-E542 PolarHBondContact O-N 3.4Å; K538-E542 VanDerWaalsContact O-N 3.15Å; E542-A544 PolarHBondContact O-N 2.8Å
543	S	41.1	Very low	38.5	Very low	90 Å²	90	123.3 Å²	123.3	63%	0.629	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	4.5	178.2	76.6	0	0	0	0	115.7	D539	D539-S543 PolarHBondContact O-N 3.32Å
544	A	40.2	Very low	38	Very low	80 Å²	80	122.9 Å²	122.9	66%	0.661	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.3	4.3	-171.5	0	0	0	0	0	114.5	E542	E542-A544 PolarHBondContact O-N 2.8Å
545	L	36.3	Very low	37.5	Very low	155 Å²	155	124.9 Å²	124.9	81%	0.812	69%	0.693	S	S	*	*	S	Bend	trans	-119.2	12.8	-168.1	-104.3	166.6	0	0	0	115.9
546	D	31	Very low	37	Very low	154 Å²	154	126.1 Å²	126.1	82%	0.824	71%	0.708	S	S	*	*			trans	-129	78.1	179.1	-100.9	-38.7	0	0	0	112.3
547	F	30.9	Very low	36.4	Very low	196 Å²	196	130.1 Å²	130.1	86%	0.86	73%	0.731	S	S	*	*			trans	-161.5	55	158.1	-125.3	-72.5	0	0	0	115.1
548	T	33.3	Very low	36	Very low	131 Å²	131	129.4 Å²	129.4	80%	0.804	74%	0.736	S	S	*	*			trans	-97.3	118.6	168.6	53.8	0	0	0	0	112.4
549	T	30.4	Very low	35.6	Very low	119 Å²	119	130.6 Å²	130.6	73%	0.73	75%	0.752	S	S	*	*			trans	65.8	102.7	160.1	-44.5	0	0	0	0	116.9
550	T	31.8	Very low	35.4	Very low	122 Å²	122	129.3 Å²	129.3	75%	0.748	76%	0.757	S	S	*	*			trans	-132.3	84.6	158.2	-53.1	0	0	0	0	109.5
551	T	34.8	Very low	35.3	Very low	123 Å²	123	127.4 Å²	127.4	76%	0.755	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-82.3	123.5	169.9	-52	0	0	0	0	108.6	T553	T551-T553 PolarHBondContact O-N 2.73Å
552	T	34	Very low	35.2	Very low	131 Å²	131	129.7 Å²	129.7	80%	0.804	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-62.8	132.7	-171.3	-36.7	0	0	0	0	112.6
553	T	29.5	Very low	35.2	Very low	130 Å²	130	127.3 Å²	127.3	80%	0.798	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-79.8	142.1	-178.8	43.1	0	0	0	0	113.7	T551	T551-T553 PolarHBondContact O-N 2.73Å
554	T	32.8	Very low	35.2	Very low	143 Å²	143	129.4 Å²	129.4	88%	0.877	76%	0.762	S	S	*	*			trans	-121.6	120.5	155.6	-22.2	0	0	0	0	109.5
555	T	31.2	Very low	35.3	Very low	123 Å²	123	131.7 Å²	131.7	76%	0.755	76%	0.763	S	S	*	*			trans	-51.5	137	-171.1	49.7	0	0	0	0	117.3
556	T	34.2	Very low	35.5	Very low	142 Å²	142	130.7 Å²	130.7	87%	0.871	76%	0.759	S	S	*	*				-157.1	158.7	117.8	18.4	0	0	0	0	112.4
557	T	34	Very low	35.6	Very low	121 Å²	121	129 Å²	129	74%	0.742	76%	0.758	S	S	*	*			trans	-73.2	168.3	-179.2	53.3	0	0	0	0	112.2
558	T	36.4	Very low	35.9	Very low	113 Å²	113	124.8 Å²	124.8	69%	0.693	75%	0.753	S	S	*	*			cis	-164.7	141.1	33.8	-26.6	0	0	0	0	112.9
559	T	36.8	Very low	36.1	Very low	129 Å²	129	122.2 Å²	122.2	79%	0.791	75%	0.752	S	S	*	*			trans	38.6	114	149.7	52.6	0	0	0	0	124
560	A	39.3	Very low	36.4	Very low	83 Å²	83	124 Å²	124	69%	0.686	76%	0.757	S	S	*	*				96.9	132.3	108.7	0	0	0	0	0	123.4
561	N	39.2	Very low	36.8	Very low	146 Å²	146	122.9 Å²	122.9	78%	0.781	75%	0.754	S	S	*	*			trans	65.9	152	151.8	-78.1	-19.7	0	0	0	120.6
562	N	41.8	Very low	37	Very low	124 Å²	124	122.7 Å²	122.7	66%	0.663	76%	0.758	S	S	*	*			cis	-167.8	171.9	-38.4	-141.1	-31.1	0	0	0	110.1
563	N	41.2	Very low	37.3	Very low	118 Å²	118	122 Å²	122	63%	0.631	76%	0.756	S	S	*	*			trans	65.9	100.7	156.8	-63.8	-23	0	0	0	120.8
564	N	40.8	Very low	37.8	Very low	135 Å²	135	124.8 Å²	124.8	72%	0.722	76%	0.757	S	S	*	*				73.7	152.4	112	-59.5	-12.2	0	0	0	123.8
565	N	42	Very low	37.8	Very low	128 Å²	128	124.5 Å²	124.5	68%	0.684	75%	0.75	S	S	*	*			trans	92	97	149.3	-66.4	-18.8	0	0	0	121
566	N	40.4	Very low	38.2	Very low	133 Å²	133	126.1 Å²	126.1	71%	0.711	75%	0.752	S	S	*	*				80.3	137.5	113.6	-61.9	-11.8	0	0	0	122.2
567	C	33.5	Very low	38.3	Very low	120 Å²	120	128.6 Å²	128.6	81%	0.811	75%	0.747	S	S	*	*			trans	70.2	152.4	144.6	-71.9	0	0	0	0	119.4
568	S	36.4	Very low	38.3	Very low	107 Å²	107	128.3 Å²	128.3	75%	0.748	74%	0.741	S	S	*	*			cis	-175.6	143.2	-25.2	49.1	0	0	0	0	110
569	G	37.7	Very low	38.2	Very low	76 Å²	76	130.7 Å²	130.7	78%	0.784	74%	0.744	S	S	*	*			trans	80.7	170.5	173.4	0	0	0	0	0	114.7
570	D	37	Very low	38.1	Very low	156 Å²	156	135.8 Å²	135.8	83%	0.834	75%	0.75	S	S	*	*			cis	-158.9	173.2	-4.9	-154.3	-11.2	0	0	0	111.4
571	S	40.7	Very low	37.8	Very low	99 Å²	99	140.8 Å²	140.8	69%	0.692	76%	0.757	S	S	*	*			trans	66.1	93.4	157.1	60.8	0	0	0	0	120.8
572	S	37.7	Very low	37.7	Very low	119 Å²	119	138.5 Å²	138.5	83%	0.832	75%	0.749	S	S	*	*				49.8	139.2	118.6	-143.6	0	0	0	0	122.7
573	P	40.8	Very low	37.1	Very low	118 Å²	118	137.2 Å²	137.2	77%	0.766	75%	0.75	S	S	*	*			trans	-97.4	170.8	-172.1	40.1	-38	0	0	0	115.7
574	K	39.3	Very low	36.6	Very low	188 Å²	188	138.7 Å²	138.7	82%	0.817	76%	0.757	S	S	*	*			trans	-158	143.2	153.5	-107.9	171.3	-176	175.3	0	112.7
575	D	33.5	Very low	36.2	Very low	137 Å²	137	139.3 Å²	139.3	73%	0.733	76%	0.758	S	S	*	*			trans	20.7	135.5	149.9	-40.1	-36.2	0	0	0	121.1
576	I	38.6	Very low	35.5	Very low	156 Å²	156	138 Å²	138	80%	0.8	76%	0.759	S	S	*	*				178.4	121.5	121.9	-91.3	156.5	0	0	0	112.6
577	Y	36.8	Very low	35.2	Very low	195 Å²	195	142.3 Å²	142.3	77%	0.765	77%	0.767	S	S	*	*			trans	43.3	119.5	146.9	-75.8	-101.5	0	0	0	124.3
578	D	35.4	Very low	35.1	Very low	115 Å²	115	143.7 Å²	143.7	62%	0.615	77%	0.767	S	S	*	*				69.9	132.1	121.3	-68.9	12.9	0	0	0	125.6
579	H	34.1	Very low	35.1	Very low	162 Å²	162	146.8 Å²	146.8	75%	0.75	77%	0.773	S	S	*	*			trans	43.9	115.1	137.2	-62.3	-45.3	0	0	0	121.2
580	Y	33.6	Very low	35	Very low	237 Å²	237	149.9 Å²	149.9	93%	0.929	77%	0.772	S	S	*	*				-146.1	143	119.7	-112.3	-77.6	0	0	0	111.9
581	K	33.4	Very low	34.7	Very low	188 Å²	188	147.1 Å²	147.1	82%	0.817	76%	0.764	S	S	*	*			trans	-155.2	176	176.5	-147.2	-162.3	173.3	-177.8	0	109
582	P	36.4	Very low	34.4	Very low	97 Å²	97	150.1 Å²	150.1	63%	0.63	77%	0.771	S	S	*	*				-95	178.3	-107.4	40	-25.8	0	0	0	114
583	S	30.9	Very low	34.1	Very low	98 Å²	98	151.5 Å²	151.5	69%	0.685	77%	0.769	S	S	*	*				157.3	141.1	124.5	-73.4	0	0	0	0	115.7
584	I	29.6	Very low	33.7	Very low	149 Å²	149	155.4 Å²	155.4	76%	0.764	77%	0.774	S	S	*	*			trans	58.5	125.1	143	-57.3	160.1	0	0	0	119.8
585	I	32.9	Very low	33.1	Very low	147 Å²	147	155 Å²	155	75%	0.754	78%	0.778	S	S	*	*				-170.3	140	118.8	-93	160.7	0	0	0	107.9	Y587	I585-Y587 HydrophobicContact CG2-CD2 4.4Å; I585-Y587 HydrophobicContact CG2-CE2 4.2Å
586	S	28.1	Very low	33	Very low	101 Å²	101	154 Å²	154	71%	0.706	78%	0.779	S	S	*	*			trans	-102.5	157.1	179.4	-55	0	0	0	0	112.2
587	Y	33.3	Very low	32.8	Very low	223 Å²	223	151 Å²	151	88%	0.875	77%	0.773	S	S	*	*			trans	-144	122.2	154.1	-86.3	-76.2	0	0	0	110.2	I585	I585-Y587 HydrophobicContact CG2-CD2 4.4Å; I585-Y587 HydrophobicContact CG2-CE2 4.2Å
588	D	30.6	Very low	32.6	Very low	150 Å²	150	150.2 Å²	150.2	80%	0.802	77%	0.773	S	S	*	*			trans	-91.5	148.4	169.2	-66.6	-67.4	0	0	0	110.4
589	I	37.8	Very low	32.4	Very low	172 Å²	172	150.7 Å²	150.7	88%	0.882	78%	0.776	S	S	*	*			trans	-136.7	136.7	160	-65.4	-174.2	0	0	0	108.8
590	D	33.7	Very low	32.5	Very low	141 Å²	141	152.5 Å²	152.5	75%	0.754	78%	0.784	S	S	*	*			trans	-77.1	151.1	-165.8	-89.1	-72.3	0	0	0	117.3
591	S	31.2	Very low	32.4	Very low	97 Å²	97	146.6 Å²	146.6	68%	0.678	78%	0.777	S	S	*	*			trans	40.4	122.8	133.9	-58	0	0	0	0	121.2
592	I	34.7	Very low	32.6	Very low	163 Å²	163	143.5 Å²	143.5	84%	0.836	78%	0.777	S	S	*	*			trans	-146.1	134.2	131.4	-101.9	149.8	0	0	0	109.2
593	N	31.8	Very low	32.5	Very low	147 Å²	147	146.6 Å²	146.6	79%	0.786	79%	0.785	S	S	*	*			trans	-84.6	144.1	177	-78.8	-66.4	0	0	0	111.5
594	F	31.3	Very low	32.8	Very low	200 Å²	200	153 Å²	153	88%	0.877	79%	0.794	S	S	*	*			trans	-145.8	96.1	152.6	-116.6	-79.5	0	0	0	111.9
595	M	28.3	Very low	33.6	Very low	181 Å²	181	154.9 Å²	154.9	89%	0.892	80%	0.797	S	S	*	*			trans	-92.4	124.5	158.6	-80.1	-168.7	70.5	0	0	109.2
596	C	31.5	Very low	33.8	Very low	114 Å²	114	155.8 Å²	155.8	77%	0.77	80%	0.801	S	S	*	*			trans	-155.7	115.8	142.5	-147.1	0	0	0	0	113.2
597	S	32.5	Very low	34.1	Very low	94 Å²	94	158.2 Å²	158.2	66%	0.657	80%	0.799	S	S	*	*			trans	33.9	119	135.5	-54.8	0	0	0	0	121.7
598	K	34.3	Very low	34.3	Very low	178 Å²	178	155.2 Å²	155.2	77%	0.774	80%	0.797	S	S	*	*				83.8	131.3	123.5	-73.4	-176.8	176.7	-173.8	0	121.4
599	D	31	Very low	35.2	Very low	125 Å²	125	156.7 Å²	156.7	67%	0.668	81%	0.805	S	S	*	*			trans	56.6	102.8	135.8	-49.4	-27.6	0	0	0	119.5
600	H	34.7	Very low	35	Very low	200 Å²	200	155.9 Å²	155.9	93%	0.926	80%	0.801	S	S	*	*				-162.6	161.6	112.5	-94.8	-52.5	0	0	0	112.4
601	S	33	Very low	35.1	Very low	113 Å²	113	156.7 Å²	156.7	79%	0.79	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-94.7	163.5	-173.9	-100.8	0	0	0	0	113.5
602	P	36.9	Very low	35.3	Very low	124 Å²	124	160 Å²	160	81%	0.805	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-81.6	134.6	-158.8	30.6	-36.3	0	0	0	114.9
603	M	34	Very low	35.4	Very low	162 Å²	162	159.8 Å²	159.8	80%	0.798	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-77.1	133.3	162.3	-78.8	-166.9	73.1	0	0	111.3
604	R	36.7	Very low	35.6	Very low	231 Å²	231	160.6 Å²	160.6	87%	0.872	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-75.8	139.5	152.7	-53.8	176.4	-162.7	159.9	5.8	107.8
605	K	47.7	Very low	35.9	Very low	190 Å²	190	158 Å²	158	83%	0.826	81%	0.806	S	S	*	*			trans	-116.3	142.1	152.2	-84.3	-169.7	172.5	-175.7	0	108.7
606	I	36.9	Very low	36.4	Very low	165 Å²	165	156.4 Å²	156.4	85%	0.846	80%	0.8	S	S	*	*			trans	-96.4	155	-177.2	-69	173.6	0	0	0	108.9
607	K	34.1	Very low	36.8	Very low	153 Å²	153	159.6 Å²	159.6	67%	0.665	80%	0.802	S	S	*	*			trans	-65.2	148.4	-172.3	-173.6	177.4	-167.6	-95.5	0	113.8	D609	K607-D609 WeakPolarHBondContact CE-O 3.46Å; K607-D609 WeakPolarHBondContact CG-O 3.46Å; K607-D609 PolarHBondContact NZ-O 2.69Å; K607-D609 PolarHBondContact NZ-OXT 3.46Å
608	L	38.5	Very low	37.2	Very low	160 Å²	160	165.1 Å²	165.1	84%	0.838	81%	0.814	S	S	*	*			trans	-168.8	132.3	142	-93.8	146.1	0	0	0	105.4
609	D	48.1	Very low	37.4	Very low	180 Å²	180	163.9 Å²	163.9	96%	0.963	82%	0.818	S	S	*	*			cis	-92.5	0	-1.3	-68.7	-56.9	0	0	0	115.2	K607	K607-D609 WeakPolarHBondContact CE-O 3.46Å; K607-D609 WeakPolarHBondContact CG-O 3.46Å; K607-D609 PolarHBondContact NZ-O 2.69Å; K607-D609 PolarHBondContact NZ-OXT 3.46Å

Retrieved 609 of 609 residues in 124 ms (Link to these results)

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