A0A3Q0KP27_SCHMA Loading...

Putative c2h2 zinc finger protein

AlphaFold DB , UniProt , Accession A0A3Q0KP27, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 783 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	35.3	Very low	27.2	Very low	232 Å²	232	142.9 Å²	142.9	100%	1.143	80%	0.804	S	S	*	*				0	141.1	0	-77.3	170	166.7	0	0	108.4
2	T	29	Very low	26.9	Very low	116 Å²	116	148.6 Å²	148.6	71%	0.712	80%	0.803	S	S	*	*			trans	48.7	108.8	148.5	56.1	0	0	0	0	118.8
3	T	25.1	Very low	26.7	Very low	131 Å²	131	149.8 Å²	149.8	80%	0.804	81%	0.807	S	S	*	*				56.4	134.9	76.5	68.7	0	0	0	0	112.7
4	S	26.8	Very low	26.5	Very low	95 Å²	95	148.6 Å²	148.6	66%	0.664	80%	0.799	S	S	*	*				-165.4	143.7	53.1	179	0	0	0	0	114.1
5	L	27	Very low	26.3	Very low	164 Å²	164	147.9 Å²	147.9	86%	0.859	80%	0.795	S	S	*	*			trans	16.6	119.5	136.7	-46	163.1	0	0	0	116
6	G	26.4	Very low	26.2	Very low	72 Å²	72	148.5 Å²	148.5	74%	0.742	79%	0.79	S	S	*	*				127.7	-173.1	73.8	0	0	0	0	0	109
7	N	25.6	Very low	26.5	Very low	130 Å²	130	146.9 Å²	146.9	70%	0.695	79%	0.794	S	S	*	*			cis	-165.8	149.7	-1.4	-145.7	2.3	0	0	0	109.7
8	F	26.1	Very low	26.6	Very low	179 Å²	179	147.3 Å²	147.3	79%	0.785	79%	0.79	S	S	*	*			trans	60.8	156.6	170.6	-64.1	-72.1	0	0	0	117.9
9	S	27.7	Very low	26.4	Very low	109 Å²	109	147.7 Å²	147.7	76%	0.762	79%	0.791	S	S	*	*			cis	-140.2	163.5	-0.7	-133.1	0	0	0	0	112.2
10	I	23.7	Very low	26.6	Very low	143 Å²	143	147.1 Å²	147.1	73%	0.733	79%	0.793	S	S	*	*			trans	-103.7	131.5	180	-61.6	164.6	0	0	0	109.5	R12	I10-R12 HydrophobicContact CG2-CG 4.31Å
11	E	26.4	Very low	26.6	Very low	201 Å²	201	146 Å²	146	94%	0.939	79%	0.791	S	S	*	*			trans	-127.8	143.1	146.3	-72.4	-160	130.1	0	0	110.3
12	R	23.8	Very low	26.3	Very low	211 Å²	211	142.1 Å²	142.1	80%	0.796	77%	0.774	S	S	*	*			trans	-109.4	148.6	176.9	-65.3	170.5	170.2	165.9	-5.8	108.5	I10	I10-R12 HydrophobicContact CG2-CG 4.31Å
13	L	24.4	Very low	26.2	Very low	164 Å²	164	141.5 Å²	141.5	86%	0.859	77%	0.77	S	S	*	*			trans	174.7	104	145.6	-91.6	149.3	0	0	0	104.6
14	I	23.5	Very low	26.3	Very low	134 Å²	134	143.2 Å²	143.2	69%	0.687	77%	0.768	S	S	*	*				71.3	132.1	67	-61.1	176.5	0	0	0	112.6
15	D	24.1	Very low	26.5	Very low	138 Å²	138	145.3 Å²	145.3	74%	0.738	78%	0.777	S	S	*	*			trans	84.1	125.2	166.1	-78.1	-2	0	0	0	123.4
16	H	24.7	Very low	26.7	Very low	157 Å²	157	148.7 Å²	148.7	73%	0.727	78%	0.778	S	S	*	*			trans	46.8	115.4	139.8	-82.3	-98.3	0	0	0	121.8
17	S	31.4	Very low	26.6	Very low	121 Å²	121	150.8 Å²	150.8	85%	0.846	78%	0.781	S	S	*	*			trans	-135.2	48.3	153.2	56.9	0	0	0	0	113
18	Q	27.6	Very low	27	Very low	154 Å²	154	151.1 Å²	151.1	72%	0.72	79%	0.788	S	S	*	*	S	Bend	trans	-80.7	139.4	145.2	-71	-165	6	0	0	108.3
19	L	23.9	Very low	27	Very low	156 Å²	156	153.4 Å²	153.4	82%	0.817	79%	0.792	S	S	*	*			trans	53.4	100.8	165.2	-75.5	154	0	0	0	117.4
20	T	30.7	Very low	27.1	Very low	135 Å²	135	154.4 Å²	154.4	83%	0.828	79%	0.788	S	S	*	*			trans	-131.3	89.6	163.9	36.4	0	0	0	0	113.2
21	T	25.6	Very low	27.5	Very low	124 Å²	124	154.4 Å²	154.4	76%	0.761	79%	0.79	S	S	*	*			trans	-83.3	143.3	156	-42.7	0	0	0	0	109.1
22	I	29.1	Very low	27.6	Very low	151 Å²	151	150.1 Å²	150.1	77%	0.774	78%	0.777	S	S	*	*			trans	-177.9	146.8	163.7	-100.4	143.1	0	0	0	109.7
23	T	27.4	Very low	28	Very low	102 Å²	102	146.4 Å²	146.4	63%	0.626	77%	0.773	S	S	*	*			cis	-164.1	164.9	-39.2	42.4	0	0	0	0	110.6
24	H	26.5	Very low	28.2	Very low	167 Å²	167	147.1 Å²	147.1	77%	0.773	77%	0.772	S	S	*	*			trans	67.2	108.2	146.1	-72.8	-54.9	0	0	0	123.4
25	V	31.8	Very low	28.6	Very low	139 Å²	139	146.7 Å²	146.7	84%	0.842	78%	0.781	S	S	*	*				-147.8	103.4	119.7	-179.5	0	0	0	0	106.5
26	R	29.8	Very low	28.7	Very low	236 Å²	236	147.3 Å²	147.3	89%	0.891	78%	0.779	S	S	*	*				68.7	142.9	95.4	-99.1	-178.2	-179.2	142.5	1.9	116.6
27	S	24.8	Very low	29.1	Very low	116 Å²	116	146 Å²	146	81%	0.811	79%	0.785	S	S	*	*			trans	-117.8	146	-157.1	-26.9	0	0	0	0	115.7
28	T	33.4	Very low	28.7	Very low	137 Å²	137	145.4 Å²	145.4	84%	0.84	77%	0.772	S	S	*	*			trans	-156.8	123.3	147.6	26.5	0	0	0	0	107.4
29	R	27	Very low	28.8	Very low	227 Å²	227	148.1 Å²	148.1	86%	0.857	78%	0.782	S	S	*	*				54.8	92.8	67.3	-96.5	-170.1	179.2	159.7	0	114.7
30	N	30.5	Very low	29	Very low	129 Å²	129	146.8 Å²	146.8	69%	0.69	78%	0.776	S	S	*	*				161.1	149.4	101.2	-83	-10.8	0	0	0	114
31	N	31.2	Very low	28.7	Very low	143 Å²	143	145.1 Å²	145.1	77%	0.765	77%	0.77	S	S	*	*			trans	66.8	156.1	150.9	-65.8	-0.2	0	0	0	120.8
32	V	28.9	Very low	29	Very low	112 Å²	112	149 Å²	149	68%	0.679	78%	0.776	S	S	*	*			cis	-171.3	168.4	-40.9	116.5	0	0	0	0	108.8
33	N	31.6	Very low	28.8	Very low	132 Å²	132	153.3 Å²	153.3	71%	0.706	78%	0.782	S	S	*	*			trans	80	117.7	-178	-52.4	-38.7	0	0	0	114.1
34	Q	28.3	Very low	28.9	Very low	179 Å²	179	152.8 Å²	152.8	84%	0.836	78%	0.783	S	S	*	*			cis	84.6	109.4	43.9	-69.8	-174.5	2	0	0	115
35	S	32	Very low	29.1	Very low	125 Å²	125	151.3 Å²	151.3	87%	0.874	78%	0.781	S	S	*	*				-175	124.3	124.8	24.3	0	0	0	0	111.3
36	E	26.4	Very low	29	Very low	151 Å²	151	150.5 Å²	150.5	71%	0.706	77%	0.772	S	S	*	*			trans	-87.5	176.8	155.1	-61.9	-171.2	160.5	0	0	109.3	N38	E36-N38 PolarHBondContact OE2-ND2 3.29Å
37	P	32.9	Very low	29	Very low	129 Å²	129	145 Å²	145	84%	0.838	76%	0.76	S	S	*	*				-141.5	138.6	94.8	36	-22	0	0	0	116
38	N	24.1	Very low	29.2	Very low	110 Å²	110	146 Å²	146	59%	0.588	76%	0.756	S	S	*	*			trans	-65.5	153.5	157.4	-89.1	-89.4	0	0	0	112	E36	E36-N38 PolarHBondContact OE2-ND2 3.29Å
39	F	29.9	Very low	28.9	Very low	210 Å²	210	147.8 Å²	147.8	92%	0.921	75%	0.752	S	S	*	*			trans	-156.5	159.4	141.7	-114.6	-73.2	0	0	0	113.6
40	N	26.8	Very low	28.8	Very low	129 Å²	129	144.3 Å²	144.3	69%	0.69	75%	0.75	S	S	*	*			trans	-112.9	138	-152.8	-94	-62.6	0	0	0	116.9
41	S	24.1	Very low	28.4	Very low	100 Å²	100	146.4 Å²	146.4	70%	0.699	76%	0.759	S	S	*	*			trans	61.5	136.8	139.1	77.4	0	0	0	0	121.9
42	K	32.3	Very low	28	Very low	205 Å²	205	144.5 Å²	144.5	89%	0.891	76%	0.757	S	S	*	*				-164.2	154.1	113.6	-105.1	159.5	-174.1	172.8	0	112.6
43	R	25.6	Very low	27.9	Very low	241 Å²	241	145.9 Å²	145.9	91%	0.909	77%	0.766	S	S	*	*			trans	-53.9	158.4	174.3	-68.5	168.7	165.8	162.3	-8.1	111.2
44	S	30.1	Very low	27.5	Very low	91 Å²	91	145.6 Å²	145.6	64%	0.636	77%	0.77	S	S	*	*			cis	-171.5	151.2	46.9	-160.2	0	0	0	0	113.3
45	N	30.1	Very low	27.2	Very low	136 Å²	136	143.5 Å²	143.5	73%	0.727	77%	0.769	S	S	*	*			trans	44.9	141.6	149.6	-63.2	3.9	0	0	0	120.6
46	N	29.1	Very low	26.9	Very low	123 Å²	123	143.7 Å²	143.7	66%	0.658	77%	0.765	S	S	*	*			cis	-161.3	166.3	12.6	-126.8	-2.3	0	0	0	112.1
47	N	29.4	Very low	26.7	Very low	121 Å²	121	144.1 Å²	144.1	65%	0.647	77%	0.769	S	S	*	*			trans	66	102.9	162.5	-57.3	-23.1	0	0	0	117.2
48	N	28.6	Very low	26.3	Very low	136 Å²	136	143 Å²	143	73%	0.727	76%	0.76	S	S	*	*				92	131.7	89.3	-71.3	-28.4	0	0	0	113
49	K	27.5	Very low	26.3	Very low	174 Å²	174	143.9 Å²	143.9	76%	0.757	77%	0.769	S	S	*	*			cis	-159.6	148.5	-2.4	-129.2	-171.2	174.6	-176.5	0	110.5
50	L	25.3	Very low	25.9	Very low	154 Å²	154	141.8 Å²	141.8	81%	0.806	76%	0.764	S	S	*	*			trans	51.8	104.8	163.6	-84.4	69.9	0	0	0	119.2
51	I	22.6	Very low	25.8	Very low	173 Å²	173	141.1 Å²	141.1	89%	0.887	77%	0.768	S	S	*	*			trans	-126.1	150.7	143.3	-70.7	177.8	0	0	0	106.8
52	S	22.6	Very low	25.9	Very low	103 Å²	103	142.1 Å²	142.1	72%	0.72	77%	0.766	S	S	*	*			trans	73.4	114.2	178.1	-166.5	0	0	0	0	117.2
53	T	25.7	Very low	25.4	Very low	141 Å²	141	137.8 Å²	137.8	87%	0.865	76%	0.761	S	S	*	*				-161.2	133.5	116.7	18.4	0	0	0	0	112.1
54	T	23.3	Very low	25.5	Very low	127 Å²	127	133 Å²	133	78%	0.779	75%	0.75	S	S	*	*			trans	-69.6	141.6	166.3	-49.7	0	0	0	0	110.8
55	T	24	Very low	25.3	Very low	134 Å²	134	138.3 Å²	138.3	82%	0.822	76%	0.764	S	S	*	*			trans	-168.2	146.7	145.6	-81.4	0	0	0	0	111.3
56	V	24.9	Very low	25	Very low	129 Å²	129	137.1 Å²	137.1	78%	0.782	76%	0.758	S	S	*	*			trans	-79.9	138.6	177.6	173.4	0	0	0	0	111.4
57	M	22.4	Very low	24.7	Very low	161 Å²	161	137.7 Å²	137.7	79%	0.793	76%	0.76	S	S	*	*			trans	-148.7	142.3	153.8	-94.9	-58.2	177.9	0	0	111.4
58	T	23.9	Very low	24.5	Very low	105 Å²	105	142.1 Å²	142.1	64%	0.644	77%	0.774	S	S	*	*			trans	31.1	117	157.3	54.1	0	0	0	0	119.1
59	T	24.1	Very low	24.3	Very low	128 Å²	128	138.6 Å²	138.6	79%	0.785	76%	0.755	S	S	*	*				52.7	154.5	58.2	77.4	0	0	0	0	115.6
60	M	21.9	Very low	24.3	Very low	166 Å²	166	134.8 Å²	134.8	82%	0.818	75%	0.747	S	S	*	*			trans	82.9	73.7	176.8	-46.2	-141.3	77.9	0	0	117.8
61	C	25	Very low	24.3	Very low	116 Å²	116	135 Å²	135	78%	0.784	76%	0.755	S	S	*	*				-160.7	105.7	129.3	-99.8	0	0	0	0	111.7
62	N	25.4	Very low	24.6	Very low	120 Å²	120	129.9 Å²	129.9	64%	0.642	75%	0.745	S	S	*	*			trans	42.9	114.4	138.1	-46.1	-2.9	0	0	0	117.3
63	S	22.9	Very low	24.9	Very low	114 Å²	114	131.2 Å²	131.2	80%	0.797	74%	0.742	S	S	*	*			cis	47.7	80.1	47	87.7	0	0	0	0	114.3
64	E	26.4	Very low	25.1	Very low	142 Å²	142	132.9 Å²	132.9	66%	0.664	73%	0.734	S	S	*	*			trans	-155	132.6	155.9	-121.1	174.4	-103.4	0	0	113.1	N66	E64-N66 HydrophobicContact CB-CB 4.43Å; E64-N66 HydrophobicContact CG-CB 4.32Å; E64-N66 PolarHBondContact O-N 3.02Å; E64-N66 WeakPolarHBondContact OE2-CB 3.33Å; E64-N66 PolarHBondContact OE2-ND2 3.33Å
65	Q	25.9	Very low	25.4	Very low	202 Å²	202	132.6 Å²	132.6	94%	0.944	73%	0.726	S	S	*	*			trans	-91.8	63.6	168.5	-68.4	177.8	-40.4	0	0	109.3
66	N	24.2	Very low	25.9	Very low	110 Å²	110	134.3 Å²	134.3	59%	0.588	72%	0.722	S	S	*	*			trans	-130.2	123	-172.5	-93	-32.3	0	0	0	115.7	E64	E64-N66 HydrophobicContact CB-CB 4.43Å; E64-N66 HydrophobicContact CG-CB 4.32Å; E64-N66 PolarHBondContact O-N 3.02Å; E64-N66 WeakPolarHBondContact OE2-CB 3.33Å; E64-N66 PolarHBondContact OE2-ND2 3.33Å
67	L	23.4	Very low	26.2	Very low	135 Å²	135	134.9 Å²	134.9	71%	0.707	72%	0.716	S	S	*	*			trans	26.2	93.1	142.9	-87	60.9	0	0	0	118.2	I69	L67-I69 HydrophobicContact CB-CD1 4.37Å; L67-I69 HydrophobicContact CB-CG1 3.8Å; L67-I69 HydrophobicContact CD2-CD1 4.14Å; L67-I69 HydrophobicContact CD2-CG1 4.13Å; L67-I69 HydrophobicContact CG-CG1 4.19Å; L67-I69 PolarHBondContact O-N 3.37Å
68	F	25.2	Very low	26.6	Very low	214 Å²	214	132.7 Å²	132.7	94%	0.939	71%	0.707	S	S	*	*			trans	-85.2	97.9	147.5	-144.7	-96.5	0	0	0	108.6
69	I	25	Very low	27	Very low	63 Å²	63	133.4 Å²	133.4	32%	0.323	70%	0.703	S	S	.	*			trans	-78.1	126.9	-167.1	-55.4	177	0	0	0	110.5	L67 M73 Y74	L67-I69 HydrophobicContact CB-CD1 4.37Å; L67-I69 HydrophobicContact CB-CG1 3.8Å; L67-I69 HydrophobicContact CD2-CD1 4.14Å; L67-I69 HydrophobicContact CD2-CG1 4.13Å; L67-I69 HydrophobicContact CG-CG1 4.19Å; L67-I69 PolarHBondContact O-N 3.37Å; I69-M73 HydrophobicContact CG2-CB 3.86Å; I69-M73 HydrophobicContact CG2-CG 4.43Å; I69-M73 HydrophobicContact CG2-SD 4.29Å; I69-Y74 HydrophobicContact CD1-CE2 4.08Å
70	P	25.7	Very low	27.6	Very low	93 Å²	93	133.6 Å²	133.6	60%	0.604	69%	0.693	S	S	*	*			trans	-60	141.3	172.1	-23.5	34.2	0	0	0	112	G72 M73	P70-G72 PolarHBondContact O-N 3.45Å; P70-M73 PolarHBondContact O-N 3.43Å
71	T	27	Very low	28	Very low	159 Å²	159	128.3 Å²	128.3	98%	0.975	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	16.7	-174	42	0	0	0	0	116
72	G	28.6	Very low	28.4	Very low	66 Å²	66	126.5 Å²	126.5	68%	0.68	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.2	-5.3	173.2	0	0	0	0	0	115.9	P70	P70-G72 PolarHBondContact O-N 3.45Å
73	M	28.6	Very low	28.7	Very low	131 Å²	131	124.9 Å²	124.9	65%	0.645	65%	0.652	S	S	*	*	S	Bend	trans	-92.2	-21.6	-172	-73.2	-171.8	65.4	0	0	116.2	I69 P70 I75	I69-M73 HydrophobicContact CG2-CB 3.86Å; I69-M73 HydrophobicContact CG2-CG 4.43Å; I69-M73 HydrophobicContact CG2-SD 4.29Å; P70-M73 PolarHBondContact O-N 3.43Å; M73-I75 PolarHBondContact O-N 3.4Å; M73-I75 VanDerWaalsContact O-N 3.08Å
74	Y	28.6	Very low	29.3	Very low	176 Å²	176	123.1 Å²	123.1	69%	0.69	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	-4.7	-168.6	-105.3	-86.5	0	0	0	116.6	I69	I69-Y74 HydrophobicContact CD1-CE2 4.08Å
75	I	31.5	Very low	29.6	Very low	121 Å²	121	121.3 Å²	121.3	62%	0.621	63%	0.632	S	S	*	*	H	α-helix	trans	-86.5	-17.8	-174.7	-64.2	176.7	0	0	0	113	M73	M73-I75 PolarHBondContact O-N 3.4Å; M73-I75 VanDerWaalsContact O-N 3.08Å
76	K	33	Very low	30	Very low	170 Å²	170	117.5 Å²	117.5	74%	0.739	62%	0.618	S	S	*	*	H	α-helix	trans	-83.6	-13.5	-174.3	-84.6	-174.8	174.1	179	0	116.3
77	E	30.7	Very low	30.5	Very low	140 Å²	140	120.4 Å²	120.4	65%	0.654	63%	0.625	S	S	*	*	H	α-helix	trans	-96.8	-35.7	179.2	-63.4	-122.5	109.3	0	0	112.6	Q79 K80 S81	E77-Q79 PolarHBondContact O-N 3.16Å; E77-Q79 VanDerWaalsContact O-N 3.13Å; E77-K80 WeakPolarHBondContact O-CB 3.46Å; E77-K80 PolarHBondContact O-N 2.99Å; E77-S81 PolarHBondContact O-N 3.36Å
78	L	31.6	Very low	30.7	Very low	116 Å²	116	121.1 Å²	121.1	61%	0.607	63%	0.627	S	S	*	*	H	α-helix	trans	-60.3	-21.5	171.8	-74.9	164	0	0	0	113.1	S81 T82	L78-S81 PolarHBondContact O-OG 2.99Å; L78-T82 WeakPolarHBondContact O-CB 3.42Å; L78-T82 WeakPolarHBondContact O-CG2 3.47Å; L78-T82 PolarHBondContact O-N 3.21Å; L78-T82 PolarHBondContact O-OG1 3.32Å
79	Q	33.4	Very low	30.9	Very low	119 Å²	119	118.1 Å²	118.1	56%	0.556	62%	0.62	S	S	*	*	H	α-helix	trans	-80.6	-14	173.1	-69	179.9	-14.8	0	0	113.7	E77 T83	E77-Q79 PolarHBondContact O-N 3.16Å; E77-Q79 VanDerWaalsContact O-N 3.13Å; Q79-T83 WeakPolarHBondContact O-CG2 3.46Å; Q79-T83 PolarHBondContact O-OG1 2.96Å
80	K	34.9	Very low	31	Very low	133 Å²	133	126.1 Å²	126.1	58%	0.578	65%	0.646	S	S	*	*	H	α-helix	trans	-89.5	-43.5	173.3	-68.3	-179.3	-178.8	171.7	0	112	E77 T82 T83 T84	E77-K80 WeakPolarHBondContact O-CB 3.46Å; E77-K80 PolarHBondContact O-N 2.99Å; K80-T82 PolarHBondContact O-N 2.97Å; K80-T83 WeakPolarHBondContact CA-OG1 3.29Å; K80-T83 PolarHBondContact O-N 2.93Å; K80-T83 PolarHBondContact O-OG1 3.49Å; K80-T83 VanDerWaalsContact O-OG1 3.07Å; K80-T84 PolarHBondContact O-N 3.42Å; K80-T84 PolarHBondContact O-OG1 2.92Å
81	S	31.7	Very low	31	Very low	54 Å²	54	125.9 Å²	125.9	38%	0.378	65%	0.647	S	S	.	*	H	α-helix	trans	-65.6	-37.9	177.8	54.2	0	0	0	0	112.8	E77 L78 T83 T84 N85	E77-S81 PolarHBondContact O-N 3.36Å; L78-S81 PolarHBondContact O-OG 2.99Å; S81-T83 VanDerWaalsContact C-N 3.28Å; S81-T83 PolarHBondContact O-N 3.35Å; S81-T84 PolarHBondContact O-OG1 3.28Å; S81-N85 PolarHBondContact O-N 2.93Å; S81-N85 VanDerWaalsContact O-N 3.16Å
82	T	32.1	Very low	31.1	Very low	78 Å²	78	124.7 Å²	124.7	48%	0.479	64%	0.639	S	S	.	*	H	α-helix	trans	-70.1	-20.8	174.2	50.1	0	0	0	0	113.7	L78 K80 N86	L78-T82 WeakPolarHBondContact O-CB 3.42Å; L78-T82 WeakPolarHBondContact O-CG2 3.47Å; L78-T82 PolarHBondContact O-N 3.21Å; L78-T82 PolarHBondContact O-OG1 3.32Å; K80-T82 PolarHBondContact O-N 2.97Å; T82-N86 PolarHBondContact O-ND2 3.08Å
83	T	33.3	Very low	31	Very low	86 Å²	86	126.9 Å²	126.9	53%	0.528	64%	0.644	S	S	.	*	H	α-helix	trans	-96	-17.7	176.7	50.9	0	0	0	0	114	Q79 K80 S81	Q79-T83 WeakPolarHBondContact O-CG2 3.46Å; Q79-T83 PolarHBondContact O-OG1 2.96Å; K80-T83 WeakPolarHBondContact CA-OG1 3.29Å; K80-T83 PolarHBondContact O-N 2.93Å; K80-T83 PolarHBondContact O-OG1 3.49Å; K80-T83 VanDerWaalsContact O-OG1 3.07Å; S81-T83 VanDerWaalsContact C-N 3.28Å; S81-T83 PolarHBondContact O-N 3.35Å
84	T	33.6	Very low	30.9	Very low	78 Å²	78	125.7 Å²	125.7	48%	0.479	65%	0.648	S	S	.	*	H	α-helix	trans	-83.5	-40.6	169.8	50.3	0	0	0	0	113	K80 S81 N86 K87 M88	K80-T84 PolarHBondContact O-N 3.42Å; K80-T84 PolarHBondContact O-OG1 2.92Å; S81-T84 PolarHBondContact O-OG1 3.28Å; T84-N86 VanDerWaalsContact C-N 3.26Å; T84-N86 PolarHBondContact O-N 3.49Å; T84-K87 WeakPolarHBondContact O-CA 3.45Å; T84-K87 WeakPolarHBondContact O-CB 3.37Å; T84-K87 PolarHBondContact O-N 3.43Å; T84-M88 PolarHBondContact O-N 2.94Å
85	N	34.2	Very low	30.9	Very low	104 Å²	104	124.4 Å²	124.4	56%	0.556	65%	0.653	S	S	*	*	H	α-helix	trans	-62.3	-34.8	178.4	-73	-3	0	0	0	112.1	S81 K87 M88	S81-N85 PolarHBondContact O-N 2.93Å; S81-N85 VanDerWaalsContact O-N 3.16Å; N85-K87 PolarHBondContact O-N 3.32Å; N85-M88 PolarHBondContact O-N 3.31Å
86	N	34.6	Very low	30.8	Very low	121 Å²	121	125.1 Å²	125.1	65%	0.647	65%	0.653	S	S	*	*	H	α-helix	trans	-70.4	-3.3	171.9	-81.2	-63.7	0	0	0	114.7	T82 T84	T82-N86 PolarHBondContact O-ND2 3.08Å; T84-N86 VanDerWaalsContact C-N 3.26Å; T84-N86 PolarHBondContact O-N 3.49Å
87	K	33.6	Very low	30.7	Very low	171 Å²	171	123.7 Å²	123.7	74%	0.743	65%	0.649	S	S	*	*	H	α-helix	trans	-106.4	-26.2	173.5	-79.2	-174.6	172.1	-177.6	0	114.3	T84 N85	T84-K87 WeakPolarHBondContact O-CA 3.45Å; T84-K87 WeakPolarHBondContact O-CB 3.37Å; T84-K87 PolarHBondContact O-N 3.43Å; N85-K87 PolarHBondContact O-N 3.32Å
88	M	28.3	Very low	30.7	Very low	151 Å²	151	123.4 Å²	123.4	74%	0.744	65%	0.647	S	S	*	*	H	α-helix	trans	-77.8	-25.9	175.7	-67.5	-161	74.4	0	0	113.3	T84 N85 R90	T84-M88 PolarHBondContact O-N 2.94Å; N85-M88 PolarHBondContact O-N 3.31Å; M88-R90 PolarHBondContact O-N 3.38Å
89	L	29.2	Very low	30.6	Very low	150 Å²	150	123.6 Å²	123.6	79%	0.785	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	31.8	177.5	-71.7	168.3	0	0	0	114.5
90	R	26.7	Very low	30.5	Very low	231 Å²	231	123.4 Å²	123.4	87%	0.872	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.7	5.5	178	-79.1	-165.8	173.1	-147	-1.9	115.1	M88	M88-R90 PolarHBondContact O-N 3.38Å
91	S	25.8	Very low	30.3	Very low	89 Å²	89	122.6 Å²	122.6	62%	0.622	65%	0.654	S	S	*	*	S	Bend	trans	-152.7	53.8	-169.1	60.1	0	0	0	0	116.3
92	T	29.7	Very low	30.4	Very low	133 Å²	133	125.2 Å²	125.2	82%	0.816	66%	0.664	S	S	*	*			trans	179.5	97.6	159	26.5	0	0	0	0	106.3
93	S	25.2	Very low	30.5	Very low	112 Å²	112	127.1 Å²	127.1	78%	0.783	67%	0.671	S	S	*	*			cis	62.3	104.1	32.8	-66.4	0	0	0	0	115.1
94	S	28.2	Very low	30.5	Very low	106 Å²	106	128.2 Å²	128.2	74%	0.741	67%	0.674	S	S	*	*			trans	82.9	127.8	152.6	-107.7	0	0	0	0	121.4
95	L	28.4	Very low	30.5	Very low	150 Å²	150	130.4 Å²	130.4	79%	0.785	68%	0.682	S	S	*	*			trans	67.9	148.4	144.2	-61	156.4	0	0	0	119.1
96	H	29.6	Very low	30.4	Very low	136 Å²	136	129.7 Å²	129.7	63%	0.63	68%	0.682	S	S	*	*			cis	-173	156.2	-37.4	-134.9	-105.8	0	0	0	107.6
97	H	30.5	Very low	30.3	Very low	140 Å²	140	134 Å²	134	65%	0.648	69%	0.689	S	S	*	*			trans	63.7	156.8	163.1	-65.6	-58	0	0	0	116.7
98	H	30.7	Very low	30	Very low	133 Å²	133	131.8 Å²	131.8	62%	0.616	69%	0.685	S	S	*	*			cis	-154.2	159.4	-11.6	-127.5	-36	0	0	0	111
99	N	29.6	Very low	30.1	Very low	121 Å²	121	130.6 Å²	130.6	65%	0.647	69%	0.687	S	S	*	*				34.4	138.2	128.6	-79.6	27.7	0	0	0	120.7
100	N	30.9	Very low	30.2	Very low	115 Å²	115	128.2 Å²	128.2	62%	0.615	68%	0.682	S	S	*	*			cis	-172.5	179.4	-4.6	-141.3	-6.4	0	0	0	110.9
101	N	31.5	Very low	30.1	Very low	115 Å²	115	122.7 Å²	122.7	62%	0.615	68%	0.678	S	S	*	*			trans	71.1	148.7	144.3	-72.5	-0.3	0	0	0	118
102	N	33.4	Very low	30.2	Very low	109 Å²	109	123 Å²	123	58%	0.583	68%	0.681	S	S	*	*			cis	-154.2	140.9	2.5	-122.4	-8.7	0	0	0	112.6
103	N	33.3	Very low	30.3	Very low	118 Å²	118	123.3 Å²	123.3	63%	0.631	68%	0.677	S	S	*	*			trans	67.9	145.6	136.2	-66.7	-7.4	0	0	0	120.2
104	N	34.6	Very low	30.4	Very low	110 Å²	110	124.6 Å²	124.6	59%	0.588	68%	0.675	S	S	*	*			cis	-158	150.1	2.3	-122.8	-14.1	0	0	0	114.1
105	N	32.4	Very low	30.4	Very low	124 Å²	124	123.1 Å²	123.1	66%	0.663	68%	0.677	S	S	*	*			trans	68.2	142.3	142.7	-65.5	-20.2	0	0	0	120.3
106	T	31.8	Very low	30.4	Very low	88 Å²	88	122.8 Å²	122.8	54%	0.54	68%	0.675	S	S	.	*			cis	-164.8	146.8	-4.4	17.7	0	0	0	0	112.9
107	R	32.5	Very low	30.5	Very low	211 Å²	211	120.6 Å²	120.6	80%	0.796	67%	0.668	S	S	*	*			trans	69.8	143.2	146.5	-65.1	161.7	-174.9	165	1.6	117.5
108	N	28.7	Very low	30.6	Very low	126 Å²	126	119.2 Å²	119.2	67%	0.674	67%	0.665	S	S	*	*			cis	-161.7	155.6	-6	-116.9	2.3	0	0	0	112.4
109	T	29.6	Very low	30.6	Very low	125 Å²	125	117.8 Å²	117.8	77%	0.767	67%	0.666	S	S	*	*			trans	58.9	141.2	152.8	50.2	0	0	0	0	120.3
110	S	30.3	Very low	30.7	Very low	100 Å²	100	118.6 Å²	118.6	70%	0.699	66%	0.664	S	S	*	*			cis	-168.8	141.9	-7.3	46.2	0	0	0	0	113.9
111	C	25.5	Very low	30.9	Very low	116 Å²	116	119.1 Å²	119.1	78%	0.784	66%	0.66	S	S	*	*			trans	64.4	116	144.6	-64.3	0	0	0	0	123.7
112	S	26.9	Very low	30.8	Very low	96 Å²	96	120.4 Å²	120.4	67%	0.671	66%	0.663	S	S	*	*				76.6	99.4	124.6	-54.1	0	0	0	0	122.4
113	N	32.3	Very low	30.6	Very low	138 Å²	138	118.1 Å²	118.1	74%	0.738	66%	0.656	S	S	*	*				-179.3	101.7	125.3	-92.9	-36.5	0	0	0	109.7
114	N	28.2	Very low	30.5	Very low	140 Å²	140	116.5 Å²	116.5	75%	0.749	65%	0.647	S	S	*	*				77	116.7	75.9	-70.9	-25.1	0	0	0	115.6
115	G	27.6	Very low	30.2	Very low	75 Å²	75	119.6 Å²	119.6	77%	0.773	65%	0.652	S	S	*	*	S	Bend	trans	112.1	-54	140.9	0	0	0	0	0	118.9
116	L	29.2	Very low	30	Very low	142 Å²	142	119.3 Å²	119.3	74%	0.743	65%	0.649	S	S	*	*	S	Bend	trans	-132.5	7.9	-157.7	-86.6	163.2	0	0	0	116.3
117	N	31.7	Very low	29.9	Very low	90 Å²	90	120 Å²	120	48%	0.481	65%	0.649	S	S	.	*	S	Bend	trans	-99.8	-17	-168.6	-73.1	-36	0	0	0	115.4	K120 K121	N117-K120 PolarHBondContact O-N 2.96Å; N117-K121 WeakPolarHBondContact O-CG 3.5Å; N117-K121 PolarHBondContact O-N 3.47Å
118	D	31.3	Very low	30	Very low	112 Å²	112	113.7 Å²	113.7	60%	0.599	63%	0.631	S	S	*	*	H	α-helix	trans	-78.9	-31.3	-171.3	-56.7	-57.7	0	0	0	113.3	K121 Q122	D118-K121 PolarHBondContact O-N 2.9Å; D118-Q122 PolarHBondContact O-N 3.24Å
119	T	31.1	Very low	30.3	Very low	103 Å²	103	111.1 Å²	111.1	63%	0.632	62%	0.618	S	S	*	*	H	α-helix	trans	-66.9	-38.8	168.3	49.9	0	0	0	0	111.8	Q122 S123	T119-Q122 PolarHBondContact O-N 2.89Å; T119-S123 PolarHBondContact O-N 2.61Å; T119-S123 PolarHBondContact O-OG 3.45Å
120	K	32.3	Very low	30.4	Very low	137 Å²	137	108.7 Å²	108.7	60%	0.596	60%	0.602	S	S	*	*	H	α-helix	trans	-65.5	-36.4	171.9	-83.3	-174.4	172.8	-178	0	112.5	N117 S123 N124	N117-K120 PolarHBondContact O-N 2.96Å; K120-S123 WeakPolarHBondContact CA-OG 3.4Å; K120-S123 PolarHBondContact O-OG 3.42Å; K120-N124 VanDerWaalsContact O-CB 3.27Å; K120-N124 WeakPolarHBondContact O-CB 3.44Å; K120-N124 PolarHBondContact O-N 3.48Å; K120-N124 PolarHBondContact O-OD1 2.91Å; K120-N124 VanDerWaalsContact O-OD1 3.07Å
121	K	34.1	Very low	30.5	Very low	126 Å²	126	107.6 Å²	107.6	55%	0.548	59%	0.588	S	S	.	*	H	α-helix	trans	-66.8	-43.7	173.2	-77.9	-178.2	175.9	-179.8	0	111.8	N117 D118 N124 Y125	N117-K121 WeakPolarHBondContact O-CG 3.5Å; N117-K121 PolarHBondContact O-N 3.47Å; D118-K121 PolarHBondContact O-N 2.9Å; K121-N124 PolarHBondContact O-N 2.92Å; K121-Y125 WeakPolarHBondContact O-CB 3.45Å; K121-Y125 VanDerWaalsContact O-CD2 3.25Å; K121-Y125 WeakPolarHBondContact O-CD2 3.36Å; K121-Y125 PolarHBondContact O-N 2.98Å
122	Q	30.9	Very low	31	Very low	143 Å²	143	106.1 Å²	106.1	67%	0.668	57%	0.572	S	S	*	*	H	α-helix	trans	-67.1	-37.1	176.1	-75.5	-174.5	-20.6	0	0	112.9	D118 T119 L126	D118-Q122 PolarHBondContact O-N 3.24Å; T119-Q122 PolarHBondContact O-N 2.89Å; Q122-L126 PolarHBondContact O-N 3.25Å; Q122-L126 VanDerWaalsContact O-N 3.13Å
123	S	29.5	Very low	31.5	Very low	61 Å²	61	106.8 Å²	106.8	43%	0.427	56%	0.563	S	S	.	*	H	α-helix	trans	-64.5	-41.6	172.2	64	0	0	0	0	111.8	T119 K120 L126 L127	T119-S123 PolarHBondContact O-N 2.61Å; T119-S123 PolarHBondContact O-OG 3.45Å; K120-S123 WeakPolarHBondContact CA-OG 3.4Å; K120-S123 PolarHBondContact O-OG 3.42Å; S123-L126 PolarHBondContact O-N 3.21Å; S123-L127 WeakPolarHBondContact O-CB 3.46Å; S123-L127 PolarHBondContact O-N 2.78Å
124	N	29.9	Very low	31.4	Very low	84 Å²	84	105 Å²	105	45%	0.449	55%	0.553	S	S	.	*	H	α-helix	trans	-71.9	-41.4	-179.7	-71.7	23.5	0	0	0	111.8	K120 K121 L126 L127 D128	K120-N124 VanDerWaalsContact O-CB 3.27Å; K120-N124 WeakPolarHBondContact O-CB 3.44Å; K120-N124 PolarHBondContact O-N 3.48Å; K120-N124 PolarHBondContact O-OD1 2.91Å; K120-N124 VanDerWaalsContact O-OD1 3.07Å; K121-N124 PolarHBondContact O-N 2.92Å; N124-L126 VanDerWaalsContact C-N 3.29Å; N124-L126 PolarHBondContact O-N 2.88Å; N124-L127 CarbonylContact O-C 3.27Å; N124-L127 WeakPolarHBondContact O-CA 3.12Å; N124-L127 PolarHBondContact O-N 3.07Å; N124-D128 VanDerWaalsContact O-CB 3.29Å; N124-D128 WeakPolarHBondContact O-CB 3.49Å; N124-D128 PolarHBondContact O-N 2.77Å
125	Y	28.3	Very low	31.7	Very low	175 Å²	175	103.3 Å²	103.3	69%	0.686	54%	0.541	S	S	*	.	H	α-helix	trans	-60.3	-37.6	173.1	-86.2	-65.5	0	0	0	112.6	K121 D129	K121-Y125 WeakPolarHBondContact O-CB 3.45Å; K121-Y125 VanDerWaalsContact O-CD2 3.25Å; K121-Y125 WeakPolarHBondContact O-CD2 3.36Å; K121-Y125 PolarHBondContact O-N 2.98Å; Y125-D129 WeakPolarHBondContact O-CB 3.48Å; Y125-D129 PolarHBondContact O-N 3.47Å
126	L	28	Very low	31.9	Very low	118 Å²	118	105.9 Å²	105.9	62%	0.618	53%	0.533	S	S	*	.	H	α-helix	trans	-68.4	-36.8	171.9	-80.3	166	0	0	0	112.3	Q122 S123 N124 V130	Q122-L126 PolarHBondContact O-N 3.25Å; Q122-L126 VanDerWaalsContact O-N 3.13Å; S123-L126 PolarHBondContact O-N 3.21Å; N124-L126 VanDerWaalsContact C-N 3.29Å; N124-L126 PolarHBondContact O-N 2.88Å; L126-V130 VanDerWaalsContact O-CB 3.28Å; L126-V130 WeakPolarHBondContact O-CB 3.43Å; L126-V130 WeakPolarHBondContact O-CG2 3.44Å; L126-V130 PolarHBondContact O-N 3.22Å
127	L	30.3	Very low	32	Very low	102 Å²	102	106 Å²	106	53%	0.534	53%	0.527	S	S	.	.	H	α-helix	trans	-70.8	-42.7	177.8	-157.1	73	0	0	0	111.6	S123 N124 V130 I131	S123-L127 WeakPolarHBondContact O-CB 3.46Å; S123-L127 PolarHBondContact O-N 2.78Å; N124-L127 CarbonylContact O-C 3.27Å; N124-L127 WeakPolarHBondContact O-CA 3.12Å; N124-L127 PolarHBondContact O-N 3.07Å; L127-V130 CarbonylContact O-C 3.19Å; L127-V130 PolarHBondContact O-N 3.39Å; L127-I131 HydrophobicContact CD2-CD1 4.42Å; L127-I131 HydrophobicContact CG-CD1 4.04Å; L127-I131 VanDerWaalsContact O-CB 3.31Å; L127-I131 WeakPolarHBondContact O-CB 3.48Å; L127-I131 WeakPolarHBondContact O-CD1 3.49Å; L127-I131 WeakPolarHBondContact O-CG1 3.48Å; L127-I131 PolarHBondContact O-N 3.03Å
128	D	34.6	Very low	32	Very low	78 Å²	78	108.1 Å²	108.1	42%	0.417	53%	0.53	S	S	.	.	H	α-helix	trans	-70.9	-33.5	179.4	-65.3	-27.5	0	0	0	111.7	N124 N132	N124-D128 VanDerWaalsContact O-CB 3.29Å; N124-D128 WeakPolarHBondContact O-CB 3.49Å; N124-D128 PolarHBondContact O-N 2.77Å; D128-N132 VanDerWaalsContact O-CB 3.25Å; D128-N132 WeakPolarHBondContact O-CB 3.47Å; D128-N132 PolarHBondContact O-N 3.1Å; D128-N132 PolarHBondContact O-ND2 3.45Å
129	D	35.8	Very low	32	Very low	73 Å²	73	107 Å²	107	39%	0.39	52%	0.524	S	S	.	.	H	α-helix	trans	-75.6	-33.6	172.7	-178	61.7	0	0	0	111.6	Y125 K133	Y125-D129 WeakPolarHBondContact O-CB 3.48Å; Y125-D129 PolarHBondContact O-N 3.47Å; D129-K133 VanDerWaalsContact O-CB 3.27Å; D129-K133 WeakPolarHBondContact O-CB 3.34Å; D129-K133 WeakPolarHBondContact O-CD 3.33Å; D129-K133 VanDerWaalsContact O-CG 3.28Å; D129-K133 WeakPolarHBondContact O-CG 3.34Å; D129-K133 PolarHBondContact O-N 3.35Å; D129-K133 WeakPolarHBondContact OD1-CE 2.98Å; D129-K133 IonicContact OD1-NZ 3.72Å; D129-K133 PolarHBondContact OD1-NZ 2.74Å; D129-K133 IonicContact OD2-NZ 3.74Å; D129-K133 PolarHBondContact OD2-NZ 3.39Å
130	V	30	Very low	32	Very low	74 Å²	74	105.1 Å²	105.1	45%	0.448	52%	0.515	S	S	.	.	H	α-helix	trans	-70.2	-38.2	168.7	166	0	0	0	0	111.8	L126 L127 K133 N134	L126-V130 VanDerWaalsContact O-CB 3.28Å; L126-V130 WeakPolarHBondContact O-CB 3.43Å; L126-V130 WeakPolarHBondContact O-CG2 3.44Å; L126-V130 PolarHBondContact O-N 3.22Å; L127-V130 CarbonylContact O-C 3.19Å; L127-V130 PolarHBondContact O-N 3.39Å; V130-K133 PolarHBondContact O-N 3.32Å; V130-N134 VanDerWaalsContact O-CB 3.24Å; V130-N134 WeakPolarHBondContact O-CB 3.47Å; V130-N134 VanDerWaalsContact O-CG 3.24Å; V130-N134 PolarHBondContact O-N 2.97Å; V130-N134 PolarHBondContact O-ND2 3.46Å
131	I	33.4	Very low	31.8	Very low	76 Å²	76	101.4 Å²	101.4	39%	0.39	50%	0.504	S	S	.	.	H	α-helix	trans	-66.7	-48.5	174	-73.4	162.7	0	0	0	109.1	L127 K133 N134 Q135	L127-I131 HydrophobicContact CD2-CD1 4.42Å; L127-I131 HydrophobicContact CG-CD1 4.04Å; L127-I131 VanDerWaalsContact O-CB 3.31Å; L127-I131 WeakPolarHBondContact O-CB 3.48Å; L127-I131 WeakPolarHBondContact O-CD1 3.49Å; L127-I131 WeakPolarHBondContact O-CG1 3.48Å; L127-I131 PolarHBondContact O-N 3.03Å; I131-K133 VanDerWaalsContact C-N 3.33Å; I131-K133 PolarHBondContact O-N 3.39Å; I131-N134 CarbonylContact O-C 3.36Å; I131-N134 PolarHBondContact O-N 3.16Å; I131-Q135 WeakPolarHBondContact O-CB 3.29Å; I131-Q135 PolarHBondContact O-N 3.38Å
132	N	36	Very low	31.6	Very low	85 Å²	85	101.2 Å²	101.2	46%	0.455	50%	0.5	S	S	.	.	H	α-helix	trans	-61.2	-38.3	175.2	-87.2	-79.2	0	0	0	112.3	D128 Q135 Q136	D128-N132 VanDerWaalsContact O-CB 3.25Å; D128-N132 WeakPolarHBondContact O-CB 3.47Å; D128-N132 PolarHBondContact O-N 3.1Å; D128-N132 PolarHBondContact O-ND2 3.45Å; N132-Q135 PolarHBondContact O-N 3.14Å; N132-Q136 WeakPolarHBondContact O-CB 3.18Å; N132-Q136 WeakPolarHBondContact O-CG 3.36Å; N132-Q136 PolarHBondContact O-N 3.25Å
133	K	37.9	Very low	31.6	Very low	111 Å²	111	98.4 Å²	98.4	48%	0.483	50%	0.497	S	S	.	.	H	α-helix	trans	-70.3	-40.1	174.9	-78	163.7	-177.1	151.6	0	112.5	D129 V130 I131 Q135 F137	D129-K133 VanDerWaalsContact O-CB 3.27Å; D129-K133 WeakPolarHBondContact O-CB 3.34Å; D129-K133 WeakPolarHBondContact O-CD 3.33Å; D129-K133 VanDerWaalsContact O-CG 3.28Å; D129-K133 WeakPolarHBondContact O-CG 3.34Å; D129-K133 PolarHBondContact O-N 3.35Å; D129-K133 WeakPolarHBondContact OD1-CE 2.98Å; D129-K133 IonicContact OD1-NZ 3.72Å; D129-K133 PolarHBondContact OD1-NZ 2.74Å; D129-K133 IonicContact OD2-NZ 3.74Å; D129-K133 PolarHBondContact OD2-NZ 3.39Å; V130-K133 PolarHBondContact O-N 3.32Å; I131-K133 VanDerWaalsContact C-N 3.33Å; I131-K133 PolarHBondContact O-N 3.39Å; K133-Q135 VanDerWaalsContact C-N 3.31Å; K133-Q135 PolarHBondContact O-N 2.79Å; K133-F137 WeakPolarHBondContact O-CB 3.3Å; K133-F137 PolarHBondContact O-N 3.04Å
134	N	30.4	Very low	31.5	Very low	100 Å²	100	99.8 Å²	99.8	54%	0.535	50%	0.499	S	S	.	.	H	α-helix	trans	-65.3	-34.4	172.2	-77.6	-30.9	0	0	0	112	V130 I131 F137 Y138	V130-N134 VanDerWaalsContact O-CB 3.24Å; V130-N134 WeakPolarHBondContact O-CB 3.47Å; V130-N134 VanDerWaalsContact O-CG 3.24Å; V130-N134 PolarHBondContact O-N 2.97Å; V130-N134 PolarHBondContact O-ND2 3.46Å; I131-N134 CarbonylContact O-C 3.36Å; I131-N134 PolarHBondContact O-N 3.16Å; N134-F137 PolarHBondContact O-N 3.18Å; N134-Y138 VanDerWaalsContact O-CB 3.29Å; N134-Y138 WeakPolarHBondContact O-CB 3.33Å; N134-Y138 PolarHBondContact O-N 2.89Å
135	Q	33.8	Very low	31.4	Very low	104 Å²	104	97.7 Å²	97.7	49%	0.486	49%	0.488	S	S	.	.	H	α-helix	trans	-84.4	-30.4	-177.8	-164.6	167.6	13.5	0	0	111.8	I131 N132 K133 N139	I131-Q135 WeakPolarHBondContact O-CB 3.29Å; I131-Q135 PolarHBondContact O-N 3.38Å; N132-Q135 PolarHBondContact O-N 3.14Å; K133-Q135 VanDerWaalsContact C-N 3.31Å; K133-Q135 PolarHBondContact O-N 2.79Å; Q135-N139 WeakPolarHBondContact O-CB 3.47Å; Q135-N139 PolarHBondContact O-N 3.17Å; Q135-N139 PolarHBondContact O-ND2 3.11Å; Q135-N139 PolarHBondContact O-OD1 3Å
136	Q	32.7	Very low	31.4	Very low	130 Å²	130	96.5 Å²	96.5	61%	0.607	49%	0.493	S	S	*	.	H	α-helix	trans	-68.1	-36.6	163	-75.9	176.9	6.7	0	0	111.2	N132 S140	N132-Q136 WeakPolarHBondContact O-CB 3.18Å; N132-Q136 WeakPolarHBondContact O-CG 3.36Å; N132-Q136 PolarHBondContact O-N 3.25Å; Q136-S140 WeakPolarHBondContact O-CA 3.47Å; Q136-S140 WeakPolarHBondContact O-CB 3.47Å; Q136-S140 PolarHBondContact O-N 3.23Å
137	F	31.2	Very low	31.5	Very low	143 Å²	143	97.5 Å²	97.5	63%	0.627	50%	0.499	S	S	*	.	H	α-helix	trans	-67.7	-43.8	172.3	-172.7	-95.2	0	0	0	111.2	K133 N134 S140 V141	K133-F137 WeakPolarHBondContact O-CB 3.3Å; K133-F137 PolarHBondContact O-N 3.04Å; N134-F137 PolarHBondContact O-N 3.18Å; F137-S140 PolarHBondContact O-N 2.83Å; F137-V141 HydrophobicContact CD1-CG2 4.22Å; F137-V141 HydrophobicContact CE1-CG2 3.94Å; F137-V141 HydrophobicContact CZ-CG2 4.23Å; F137-V141 WeakPolarHBondContact O-CB 3.02Å; F137-V141 VanDerWaalsContact O-CG2 3.32Å; F137-V141 WeakPolarHBondContact O-CG2 3.28Å; F137-V141 PolarHBondContact O-N 2.68Å
138	Y	30	Very low	31.3	Very low	135 Å²	135	99.1 Å²	99.1	53%	0.529	50%	0.502	S	S	.	.	H	α-helix	trans	-60.8	-50.5	174.7	-148.6	-95.8	0	0	0	110.4	N134 S140 V141 Y142	N134-Y138 VanDerWaalsContact O-CB 3.29Å; N134-Y138 WeakPolarHBondContact O-CB 3.33Å; N134-Y138 PolarHBondContact O-N 2.89Å; Y138-S140 VanDerWaalsContact C-N 3.34Å; Y138-S140 PolarHBondContact O-N 2.82Å; Y138-V141 PolarHBondContact O-N 3.44Å; Y138-Y142 AromaticContact CD1-CD2 3.69Å; Y138-Y142 HydrophobicContact CD1-CD2 3.69Å; Y138-Y142 AromaticContact CD1-CE2 3.71Å; Y138-Y142 HydrophobicContact CD1-CE2 3.71Å; Y138-Y142 AromaticContact CE1-CD2 3.72Å; Y138-Y142 HydrophobicContact CE1-CD2 3.72Å; Y138-Y142 AromaticContact CE1-CE2 3.23Å; Y138-Y142 HydrophobicContact CE1-CE2 3.23Å; Y138-Y142 AromaticContact CE1-CZ 3.77Å; Y138-Y142 HydrophobicContact CE2-CE2 4.29Å; Y138-Y142 HydrophobicContact CG-CD2 4.35Å; Y138-Y142 HydrophobicContact CG-CE2 4.41Å; Y138-Y142 AromaticContact CZ-CE2 3.57Å; Y138-Y142 WeakPolarHBondContact O-CB 3.43Å; Y138-Y142 VanDerWaalsContact O-CD2 3.29Å; Y138-Y142 WeakPolarHBondContact O-CD2 3.26Å; Y138-Y142 PolarHBondContact O-N 3.24Å; Y138-Y142 PolarHBondContact OH-OH 3.44Å
139	N	32.7	Very low	31.3	Very low	90 Å²	90	102.4 Å²	102.4	48%	0.481	52%	0.515	S	S	.	.	H	α-helix	trans	-66.2	-33.4	177.3	-67.6	-8.1	0	0	0	112.1	Q135 Y142 S143	Q135-N139 WeakPolarHBondContact O-CB 3.47Å; Q135-N139 PolarHBondContact O-N 3.17Å; Q135-N139 PolarHBondContact O-ND2 3.11Å; Q135-N139 PolarHBondContact O-OD1 3Å; N139-Y142 CarbonylContact O-C 3.58Å; N139-Y142 PolarHBondContact O-N 3.23Å; N139-S143 VanDerWaalsContact O-CB 3.28Å; N139-S143 WeakPolarHBondContact O-CB 3.39Å; N139-S143 PolarHBondContact O-N 3.45Å; N139-S143 PolarHBondContact O-OG 3.37Å
140	S	30.6	Very low	31.1	Very low	62 Å²	62	106.5 Å²	106.5	43%	0.434	53%	0.531	S	S	.	.	H	α-helix	trans	-65.3	-46.8	172.9	176.7	0	0	0	0	111.3	Q136 F137 Y138 Y142 S143 N144	Q136-S140 WeakPolarHBondContact O-CA 3.47Å; Q136-S140 WeakPolarHBondContact O-CB 3.47Å; Q136-S140 PolarHBondContact O-N 3.23Å; F137-S140 PolarHBondContact O-N 2.83Å; Y138-S140 VanDerWaalsContact C-N 3.34Å; Y138-S140 PolarHBondContact O-N 2.82Å; S140-Y142 VanDerWaalsContact C-N 3.34Å; S140-Y142 PolarHBondContact O-N 2.75Å; S140-S143 PolarHBondContact O-N 3.31Å; S140-N144 PolarHBondContact O-N 2.93Å; S140-N144 PolarHBondContact O-ND2 3.18Å
141	V	29	Very low	31.2	Very low	60 Å²	60	107.7 Å²	107.7	36%	0.364	54%	0.536	S	S	.	.	H	α-helix	trans	-58.5	-47.8	172.6	169.4	0	0	0	0	109.7	F137 Y138 S143 N144 L145	F137-V141 HydrophobicContact CD1-CG2 4.22Å; F137-V141 HydrophobicContact CE1-CG2 3.94Å; F137-V141 HydrophobicContact CZ-CG2 4.23Å; F137-V141 WeakPolarHBondContact O-CB 3.02Å; F137-V141 VanDerWaalsContact O-CG2 3.32Å; F137-V141 WeakPolarHBondContact O-CG2 3.28Å; F137-V141 PolarHBondContact O-N 2.68Å; Y138-V141 PolarHBondContact O-N 3.44Å; V141-S143 PolarHBondContact O-N 3.41Å; V141-N144 CarbonylContact O-C 3.59Å; V141-N144 PolarHBondContact O-N 3.16Å; V141-L145 HydrophobicContact CG1-CD1 4.21Å; V141-L145 HydrophobicContact CG1-CG 4.36Å; V141-L145 VanDerWaalsContact O-CG 3.29Å; V141-L145 WeakPolarHBondContact O-CG 3.37Å; V141-L145 PolarHBondContact O-N 2.7Å
142	Y	29.6	Very low	31.2	Very low	121 Å²	121	108.1 Å²	108.1	48%	0.475	54%	0.539	S	S	.	.	H	α-helix	trans	-70.9	-27.7	-179.3	-85.8	-104.4	0	0	0	115.1	Y138 N139 S140 L145	Y138-Y142 AromaticContact CD1-CD2 3.69Å; Y138-Y142 HydrophobicContact CD1-CD2 3.69Å; Y138-Y142 AromaticContact CD1-CE2 3.71Å; Y138-Y142 HydrophobicContact CD1-CE2 3.71Å; Y138-Y142 AromaticContact CE1-CD2 3.72Å; Y138-Y142 HydrophobicContact CE1-CD2 3.72Å; Y138-Y142 AromaticContact CE1-CE2 3.23Å; Y138-Y142 HydrophobicContact CE1-CE2 3.23Å; Y138-Y142 AromaticContact CE1-CZ 3.77Å; Y138-Y142 HydrophobicContact CE2-CE2 4.29Å; Y138-Y142 HydrophobicContact CG-CD2 4.35Å; Y138-Y142 HydrophobicContact CG-CE2 4.41Å; Y138-Y142 AromaticContact CZ-CE2 3.57Å; Y138-Y142 WeakPolarHBondContact O-CB 3.43Å; Y138-Y142 VanDerWaalsContact O-CD2 3.29Å; Y138-Y142 WeakPolarHBondContact O-CD2 3.26Å; Y138-Y142 PolarHBondContact O-N 3.24Å; Y138-Y142 PolarHBondContact OH-OH 3.44Å; N139-Y142 CarbonylContact O-C 3.58Å; N139-Y142 PolarHBondContact O-N 3.23Å; S140-Y142 VanDerWaalsContact C-N 3.34Å; S140-Y142 PolarHBondContact O-N 2.75Å; Y142-L145 HydrophobicContact CD1-CD1 3.93Å; Y142-L145 HydrophobicContact CD2-CD1 3.91Å; Y142-L145 HydrophobicContact CE1-CD1 4.08Å; Y142-L145 HydrophobicContact CE2-CD1 4.06Å; Y142-L145 HydrophobicContact CG-CD1 3.86Å; Y142-L145 PolarHBondContact O-N 3.02Å
143	S	29.1	Very low	30.9	Very low	85 Å²	85	107.1 Å²	107.1	59%	0.594	53%	0.533	S	S	*	.	H	α-helix	trans	-77.3	-22.5	170.7	-63.7	0	0	0	0	112.9	N139 S140 V141	N139-S143 VanDerWaalsContact O-CB 3.28Å; N139-S143 WeakPolarHBondContact O-CB 3.39Å; N139-S143 PolarHBondContact O-N 3.45Å; N139-S143 PolarHBondContact O-OG 3.37Å; S140-S143 PolarHBondContact O-N 3.31Å; V141-S143 PolarHBondContact O-N 3.41Å
144	N	28.2	Very low	30.5	Very low	89 Å²	89	105.5 Å²	105.5	48%	0.476	53%	0.53	S	S	.	.	H	α-helix	trans	-85	-21.2	169.2	-75.1	-76.8	0	0	0	112.3	S140 V141 D146 N147	S140-N144 PolarHBondContact O-N 2.93Å; S140-N144 PolarHBondContact O-ND2 3.18Å; V141-N144 CarbonylContact O-C 3.59Å; V141-N144 PolarHBondContact O-N 3.16Å; N144-D146 VanDerWaalsContact C-N 3.27Å; N144-D146 PolarHBondContact O-N 3.14Å; N144-N147 PolarHBondContact O-N 3.2Å; N144-N147 VanDerWaalsContact O-N 3.1Å
145	L	28.7	Very low	30.7	Very low	41 Å²	41	104.6 Å²	104.6	22%	0.215	52%	0.524	C	S	.	.	H	α-helix	trans	-63.9	-25.3	-178.4	-85.8	175.3	0	0	0	114.3	V141 Y142 N147 F148 L153	V141-L145 HydrophobicContact CG1-CD1 4.21Å; V141-L145 HydrophobicContact CG1-CG 4.36Å; V141-L145 VanDerWaalsContact O-CG 3.29Å; V141-L145 WeakPolarHBondContact O-CG 3.37Å; V141-L145 PolarHBondContact O-N 2.7Å; Y142-L145 HydrophobicContact CD1-CD1 3.93Å; Y142-L145 HydrophobicContact CD2-CD1 3.91Å; Y142-L145 HydrophobicContact CE1-CD1 4.08Å; Y142-L145 HydrophobicContact CE2-CD1 4.06Å; Y142-L145 HydrophobicContact CG-CD1 3.86Å; Y142-L145 PolarHBondContact O-N 3.02Å; L145-N147 PolarHBondContact O-N 3.01Å; L145-F148 HydrophobicContact CD2-CB 4.4Å; L145-F148 PolarHBondContact O-N 3.42Å; L145-F148 VanDerWaalsContact O-N 3.1Å; L145-L153 HydrophobicContact CD1-CD2 4.04Å; L145-L153 HydrophobicContact CD2-CD1 3.4Å; L145-L153 VanDerWaalsContact CD2-CD1 3.4Å; L145-L153 HydrophobicContact CD2-CD2 3.66Å; L145-L153 HydrophobicContact CD2-CG 3.95Å
146	D	28.1	Very low	30.5	Very low	149 Å²	149	104 Å²	104	80%	0.797	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-13.5	173.1	-74.1	-25.8	0	0	0	113.5	N144	N144-D146 VanDerWaalsContact C-N 3.27Å; N144-D146 PolarHBondContact O-N 3.14Å
147	N	28.6	Very low	30.1	Very low	140 Å²	140	104.1 Å²	104.1	75%	0.749	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	4.1	177.5	-66.1	-76.8	0	0	0	114.3	N144 L145	N144-N147 PolarHBondContact O-N 3.2Å; N144-N147 VanDerWaalsContact O-N 3.1Å; L145-N147 PolarHBondContact O-N 3.01Å
148	F	27.5	Very low	30.4	Very low	135 Å²	135	102.1 Å²	102.1	59%	0.592	52%	0.521	S	S	*	.	S	Bend	trans	-108.1	138.9	-178.3	-87.7	-91.5	0	0	0	113.4	L145 Q150	L145-F148 HydrophobicContact CD2-CB 4.4Å; L145-F148 PolarHBondContact O-N 3.42Å; L145-F148 VanDerWaalsContact O-N 3.1Å; F148-Q150 PolarHBondContact O-N 3.49Å
149	H	33.4	Very low	30.5	Very low	148 Å²	148	102.1 Å²	102.1	69%	0.685	53%	0.53	S	S	*	.			trans	-66.3	134.9	179.2	-97.8	-85.4	0	0	0	111.8	D151 D152	H149-D151 PolarHBondContact O-N 3.3Å; H149-D152 PolarHBondContact O-N 2.88Å
150	Q	31.9	Very low	30.2	Very low	158 Å²	158	103 Å²	103	74%	0.738	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-9.1	-173.7	-151.5	168.9	20.6	0	0	114.6	F148 N154	F148-Q150 PolarHBondContact O-N 3.49Å; Q150-N154 PolarHBondContact O-ND2 3.47Å
151	D	33.4	Very low	30.1	Very low	100 Å²	100	107.4 Å²	107.4	54%	0.535	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.4	-31.8	172.9	-75.2	-59	0	0	0	113	H149 N154	H149-D151 PolarHBondContact O-N 3.3Å; D151-N154 VanDerWaalsContact O-CB 3.24Å; D151-N154 WeakPolarHBondContact O-CB 3.26Å; D151-N154 PolarHBondContact O-N 3.13Å
152	D	32.3	Very low	30	Very low	85 Å²	85	109.9 Å²	109.9	46%	0.455	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.7	-37.8	-174.4	-70.1	-44.8	0	0	0	112.8	H149 N154 I155 T156	H149-D152 PolarHBondContact O-N 2.88Å; D152-N154 PolarHBondContact O-N 3.13Å; D152-I155 WeakPolarHBondContact O-CB 3.35Å; D152-I155 PolarHBondContact O-N 3.36Å; D152-T156 PolarHBondContact O-N 3.16Å
153	L	29.9	Very low	29.9	Very low	63 Å²	63	108 Å²	108	33%	0.33	56%	0.564	S	S	.	*	H	α-helix	trans	-64.7	-26.7	171.5	-78.8	83.7	0	0	0	111.6	L145 I155 T156 M157	L145-L153 HydrophobicContact CD1-CD2 4.04Å; L145-L153 HydrophobicContact CD2-CD1 3.4Å; L145-L153 VanDerWaalsContact CD2-CD1 3.4Å; L145-L153 HydrophobicContact CD2-CD2 3.66Å; L145-L153 HydrophobicContact CD2-CG 3.95Å; L153-I155 PolarHBondContact O-N 2.81Å; L153-T156 PolarHBondContact O-OG1 2.86Å; L153-M157 WeakPolarHBondContact O-CB 3.33Å; L153-M157 WeakPolarHBondContact O-CG 3.43Å; L153-M157 PolarHBondContact O-N 3.06Å; L153-M157 VanDerWaalsContact O-N 3.16Å
154	N	29.9	Very low	29.8	Very low	78 Å²	78	109.2 Å²	109.2	42%	0.417	57%	0.572	S	S	.	*	H	α-helix	trans	-75.2	-2.7	174.7	-98	-74.9	0	0	0	113.3	Q150 D151 D152 K158	Q150-N154 PolarHBondContact O-ND2 3.47Å; D151-N154 VanDerWaalsContact O-CB 3.24Å; D151-N154 WeakPolarHBondContact O-CB 3.26Å; D151-N154 PolarHBondContact O-N 3.13Å; D152-N154 PolarHBondContact O-N 3.13Å; N154-K158 VanDerWaalsContact O-CD 3.22Å; N154-K158 WeakPolarHBondContact O-CD 3.42Å; N154-K158 WeakPolarHBondContact O-CE 3.48Å; N154-K158 VanDerWaalsContact O-CG 3.27Å; N154-K158 WeakPolarHBondContact O-CG 3.43Å; N154-K158 PolarHBondContact O-NZ 3.16Å; N154-K158 PolarHBondContact OD1-NZ 3Å
155	I	33.9	Very low	29.8	Very low	80 Å²	80	110.9 Å²	110.9	41%	0.41	57%	0.572	S	S	.	*	H	α-helix	trans	-95.5	-58.3	169.8	-61	171.1	0	0	0	108.5	D152 L153 M157 K158 D159	D152-I155 WeakPolarHBondContact O-CB 3.35Å; D152-I155 PolarHBondContact O-N 3.36Å; L153-I155 PolarHBondContact O-N 2.81Å; I155-M157 VanDerWaalsContact C-N 3.32Å; I155-M157 PolarHBondContact O-N 3.16Å; I155-K158 PolarHBondContact O-N 3.49Å; I155-D159 PolarHBondContact O-N 3.28Å
156	T	28.9	Very low	29.7	Very low	93 Å²	93	111.2 Å²	111.2	57%	0.571	58%	0.578	S	S	*	*	H	α-helix	trans	-59.4	-36.4	-176.3	54.3	0	0	0	0	113.8	D152 L153 K158	D152-T156 PolarHBondContact O-N 3.16Å; L153-T156 PolarHBondContact O-OG1 2.86Å; T156-K158 VanDerWaalsContact C-N 3.27Å; T156-K158 PolarHBondContact O-N 3.48Å
157	M	25.6	Very low	29.6	Very low	132 Å²	132	109 Å²	109	65%	0.65	56%	0.561	S	S	*	*	H	α-helix	trans	-75.1	-8.2	176.4	-71.9	-74.1	-78.9	0	0	114.4	L153 I155	L153-M157 WeakPolarHBondContact O-CB 3.33Å; L153-M157 WeakPolarHBondContact O-CG 3.43Å; L153-M157 PolarHBondContact O-N 3.06Å; L153-M157 VanDerWaalsContact O-N 3.16Å; I155-M157 VanDerWaalsContact C-N 3.32Å; I155-M157 PolarHBondContact O-N 3.16Å
158	K	36.8	Very low	29.4	Very low	101 Å²	101	104.2 Å²	104.2	44%	0.439	54%	0.539	S	S	.	.	H	α-helix	trans	-99.8	-19.6	179.7	-66.2	-167.1	-177.1	106.1	0	113.9	N154 I155 T156 I160 T163	N154-K158 VanDerWaalsContact O-CD 3.22Å; N154-K158 WeakPolarHBondContact O-CD 3.42Å; N154-K158 WeakPolarHBondContact O-CE 3.48Å; N154-K158 VanDerWaalsContact O-CG 3.27Å; N154-K158 WeakPolarHBondContact O-CG 3.43Å; N154-K158 PolarHBondContact O-NZ 3.16Å; N154-K158 PolarHBondContact OD1-NZ 3Å; I155-K158 PolarHBondContact O-N 3.49Å; T156-K158 VanDerWaalsContact C-N 3.27Å; T156-K158 PolarHBondContact O-N 3.48Å; K158-I160 VanDerWaalsContact C-N 3.27Å; K158-T163 HydrophobicContact CB-CG2 3.88Å; K158-T163 HydrophobicContact CD-CG2 4.22Å; K158-T163 HydrophobicContact CG-CG2 3.73Å
159	D	31.6	Very low	29.4	Very low	134 Å²	134	102.9 Å²	102.9	72%	0.717	54%	0.541	S	S	*	.	H	α-helix	trans	-77.1	-17.2	172.1	-63	-35.3	0	0	0	112	I155	I155-D159 PolarHBondContact O-N 3.28Å
160	I	28.1	Very low	29.1	Very low	108 Å²	108	99.7 Å²	99.7	55%	0.554	53%	0.527	S	S	*	.	S	Bend	trans	-81.2	124.5	160.3	-57	179.3	0	0	0	108.2	K158 L162	K158-I160 VanDerWaalsContact C-N 3.27Å; I160-L162 VanDerWaalsContact C-N 3.29Å; I160-L162 HydrophobicContact CG2-CD1 4.24Å; I160-L162 HydrophobicContact CG2-CG 4.42Å; I160-L162 PolarHBondContact O-N 3.3Å
161	N	27.8	Very low	29.1	Very low	156 Å²	156	101.7 Å²	101.7	83%	0.834	53%	0.533	S	S	*	.	S	Bend	trans	-79.4	60.1	-156.4	-158.8	-0.3	0	0	0	114.8
162	L	27.5	Very low	29	Very low	111 Å²	111	102.4 Å²	102.4	58%	0.581	54%	0.536	S	S	*	.			trans	-112.4	-0.4	-176.7	-67.3	170.4	0	0	0	113.8	I160 S164	I160-L162 VanDerWaalsContact C-N 3.29Å; I160-L162 HydrophobicContact CG2-CD1 4.24Å; I160-L162 HydrophobicContact CG2-CG 4.42Å; I160-L162 PolarHBondContact O-N 3.3Å; L162-S164 VanDerWaalsContact C-N 3.34Å; L162-S164 PolarHBondContact O-N 2.86Å
163	T	26.1	Very low	28.9	Very low	81 Å²	81	105.7 Å²	105.7	50%	0.497	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.5	63.1	-166.8	46.2	0	0	0	0	114.6	K158	K158-T163 HydrophobicContact CB-CG2 3.88Å; K158-T163 HydrophobicContact CD-CG2 4.22Å; K158-T163 HydrophobicContact CG-CG2 3.73Å
164	S	27.7	Very low	28.7	Very low	111 Å²	111	110.3 Å²	110.3	78%	0.776	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-154.5	5.9	167.4	51.3	0	0	0	0	116	L162	L162-S164 VanDerWaalsContact C-N 3.34Å; L162-S164 PolarHBondContact O-N 2.86Å
165	R	28.1	Very low	28.8	Very low	125 Å²	125	113.4 Å²	113.4	47%	0.472	60%	0.595	S	S	.	*			trans	-130.3	128.3	177.3	-72.5	177.4	162.3	177.4	-10.5	109.9	F167 I185	R165-F167 HydrophobicContact CB-CD1 4.34Å; R165-F167 HydrophobicContact CB-CE1 3.75Å; R165-F167 HydrophobicContact CB-CE2 4.31Å; R165-F167 HydrophobicContact CB-CZ 3.73Å; R165-I185 HydrophobicContact CB-CG2 4.38Å; R165-I185 HydrophobicContact CG-CG2 3.88Å
166	S	27.7	Very low	28.6	Very low	48 Å²	48	116.7 Å²	116.7	34%	0.336	61%	0.614	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-79.5	130.1	162.5	41.7	0	0	0	0	108.4	I186	S166-I186 PolarHBondContact O-N 2.86Å; S166-I186 PolarHBondContact OG-O 2.82Å
167	F	24.6	Very low	28.6	Very low	101 Å²	101	120 Å²	120	44%	0.443	63%	0.628	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.7	127.9	179.3	-56.9	-65.6	0	0	0	108.8	R165 I183 I185	R165-F167 HydrophobicContact CB-CD1 4.34Å; R165-F167 HydrophobicContact CB-CE1 3.75Å; R165-F167 HydrophobicContact CB-CE2 4.31Å; R165-F167 HydrophobicContact CB-CZ 3.73Å; F167-I183 HydrophobicContact CB-CG2 4.32Å; F167-I183 HydrophobicContact CD1-CG2 3.36Å; F167-I183 HydrophobicContact CE1-CG2 3.94Å; F167-I183 HydrophobicContact CG-CG2 4.13Å; F167-I185 HydrophobicContact CD1-CG1 4.49Å; F167-I185 HydrophobicContact CE1-CG1 4.27Å
168	S	25.7	Very low	28.7	Very low	40 Å²	40	119.8 Å²	119.8	28%	0.28	63%	0.629	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.1	128.1	163.9	56.8	0	0	0	0	109.1
169	V	26.6	Very low	28.1	Very low	107 Å²	107	126 Å²	126	65%	0.648	65%	0.652	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-102.7	101.9	176.1	179.3	0	0	0	0	107.9	V181	V169-V181 HydrophobicContact CG1-CG1 4.27Å
170	E	27.5	Very low	27.7	Very low	82 Å²	82	125.4 Å²	125.4	38%	0.383	65%	0.649	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.2	124.8	171.7	-72.7	159.9	-167.2	0	0	108.2	K184	E170-K184 IonicContact OE1-NZ 2.68Å; E170-K184 PolarHBondContact OE1-NZ 2.79Å; E170-K184 IonicContact OE2-NZ 3.38Å; E170-K184 PolarHBondContact OE2-NZ 3.42Å
171	K	30.5	Very low	27.6	Very low	199 Å²	199	124.8 Å²	124.8	87%	0.865	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-72.2	132.8	165.9	-71.1	-173.8	178.4	-176.1	0	108.1
172	L	31.4	Very low	27.4	Very low	116 Å²	116	123.8 Å²	123.8	61%	0.607	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-96.9	146.1	162.3	-64.3	173.2	0	0	0	107.9
173	D	30.8	Very low	27.3	Very low	154 Å²	154	123.5 Å²	123.5	82%	0.824	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-68.1	154.2	-168.2	-69.1	-64.5	0	0	0	114.3	N175	D173-N175 PolarHBondContact O-N 3.42Å
174	N	26.5	Very low	27.4	Very low	160 Å²	160	124.4 Å²	124.4	86%	0.856	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-59.4	116.7	-174.2	-52.4	-43.9	0	0	0	111.8
175	N	31.4	Very low	27.3	Very low	142 Å²	142	122.9 Å²	122.9	76%	0.759	62%	0.615	S	S	*	*			trans	-137.2	153.5	149.5	-73.4	-85.9	0	0	0	106.9	D173	D173-N175 PolarHBondContact O-N 3.42Å
176	D	28.8	Very low	27.3	Very low	149 Å²	149	120.9 Å²	120.9	80%	0.797	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	152.1	-154.5	-53.9	-70.5	0	0	0	115.6	N178	D176-N178 PolarHBondContact O-N 2.93Å; D176-N178 VanDerWaalsContact O-N 3.15Å
177	D	30.8	Very low	27.2	Very low	162 Å²	162	125.7 Å²	125.7	87%	0.866	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	58.7	19	164.3	-62.1	-20.1	0	0	0	119.6
178	N	26.2	Very low	27.7	Very low	128 Å²	128	127 Å²	127	68%	0.684	64%	0.638	S	S	*	*			trans	-144.4	108.4	171.2	-108	-57	0	0	0	116.9	D176 N180	D176-N178 PolarHBondContact O-N 2.93Å; D176-N178 VanDerWaalsContact O-N 3.15Å; N178-N180 PolarHBondContact O-N 2.86Å
179	Y	25	Very low	27.9	Very low	232 Å²	232	132.6 Å²	132.6	91%	0.91	67%	0.665	S	S	*	*			trans	-78.1	76.4	175.2	-79	-78.9	0	0	0	113.3	V181	Y179-V181 PolarHBondContact O-N 3.01Å
180	N	23.3	Very low	28.1	Very low	122 Å²	122	132.5 Å²	132.5	65%	0.652	66%	0.66	S	S	*	*			trans	-84.1	103.8	175.2	-79.7	-52.9	0	0	0	112.7	N178	N178-N180 PolarHBondContact O-N 2.86Å
181	V	25.3	Very low	28.4	Very low	94 Å²	94	131.2 Å²	131.2	57%	0.57	66%	0.656	S	S	*	*			trans	-94.1	117.5	177.4	-179	0	0	0	0	111.1	V169 Y179 I183	V169-V181 HydrophobicContact CG1-CG1 4.27Å; Y179-V181 PolarHBondContact O-N 3.01Å; V181-I183 HydrophobicContact CG1-CG1 4.11Å
182	K	24.6	Very low	28.6	Very low	136 Å²	136	127 Å²	127	59%	0.591	64%	0.643	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-97.1	106	177.9	-165.8	170.7	-171.9	170.8	0	111.5
183	I	25.2	Very low	28.7	Very low	104 Å²	104	128 Å²	128	53%	0.533	65%	0.647	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.7	113.2	-178.3	-57.2	178.7	0	0	0	110.4	F167 V181	F167-I183 HydrophobicContact CB-CG2 4.32Å; F167-I183 HydrophobicContact CD1-CG2 3.36Å; F167-I183 HydrophobicContact CE1-CG2 3.94Å; F167-I183 HydrophobicContact CG-CG2 4.13Å; V181-I183 HydrophobicContact CG1-CG1 4.11Å
184	K	28	Very low	28.8	Very low	100 Å²	100	123.5 Å²	123.5	44%	0.435	62%	0.624	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.9	143.8	163.7	-79.8	166.8	176.5	149.1	0	110.1	E170	E170-K184 IonicContact OE1-NZ 2.68Å; E170-K184 PolarHBondContact OE1-NZ 2.79Å; E170-K184 IonicContact OE2-NZ 3.38Å; E170-K184 PolarHBondContact OE2-NZ 3.42Å
185	I	25.4	Very low	29.1	Very low	80 Å²	80	121.7 Å²	121.7	41%	0.41	62%	0.618	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.2	126.8	176.8	-65.6	160.6	0	0	0	108	R165 F167 E187	R165-I185 HydrophobicContact CB-CG2 4.38Å; R165-I185 HydrophobicContact CG-CG2 3.88Å; F167-I185 HydrophobicContact CD1-CG1 4.49Å; F167-I185 HydrophobicContact CE1-CG1 4.27Å; I185-E187 HydrophobicContact CG2-CG 4.43Å
186	I	27.5	Very low	29.2	Very low	83 Å²	83	118 Å²	118	43%	0.426	60%	0.598	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-115.5	126.4	172.5	-54.6	177.8	0	0	0	108.5	S166 Q188	S166-I186 PolarHBondContact O-N 2.86Å; S166-I186 PolarHBondContact OG-O 2.82Å; I186-Q188 HydrophobicContact CG2-CG 4.14Å
187	E	26	Very low	29.4	Very low	149 Å²	149	112.5 Å²	112.5	70%	0.696	57%	0.569	S	S	*	*			trans	-94	103.5	179	-61.4	-166.2	157.8	0	0	110.2	I185	I185-E187 HydrophobicContact CG2-CG 4.43Å
188	Q	35.3	Very low	29.7	Very low	128 Å²	128	109.6 Å²	109.6	60%	0.598	55%	0.553	S	S	*	*			trans	-104.5	118.4	176.2	-69.5	-174	-19.3	0	0	110.8	I186 N190	I186-Q188 HydrophobicContact CG2-CG 4.14Å; Q188-N190 VanDerWaalsContact C-N 3.3Å; Q188-N190 PolarHBondContact O-N 3.03Å
189	N	29.9	Very low	30.1	Very low	158 Å²	158	105.8 Å²	105.8	85%	0.845	54%	0.544	S	S	*	.			trans	-81.6	66.6	-174.2	-77.5	-62.1	0	0	0	112.7	D191	N189-D191 PolarHBondContact O-N 2.97Å; N189-D191 VanDerWaalsContact O-N 3.11Å
190	N	31.7	Very low	30.3	Very low	104 Å²	104	102.9 Å²	102.9	56%	0.556	54%	0.539	S	S	*	.			trans	-83.7	86.1	-176.3	-65.6	4.4	0	0	0	112	Q188 D192	Q188-N190 VanDerWaalsContact C-N 3.3Å; Q188-N190 PolarHBondContact O-N 3.03Å; N190-D192 PolarHBondContact O-N 3.48Å
191	D	33.6	Very low	30.7	Very low	56 Å²	56	106.8 Å²	106.8	30%	0.299	55%	0.553	S	S	.	*			trans	-71.7	67.1	159.1	-100.3	6.5	0	0	0	109.2	N189 I193 R310	N189-D191 PolarHBondContact O-N 2.97Å; N189-D191 VanDerWaalsContact O-N 3.11Å; D191-I193 PolarHBondContact O-N 3.05Å; D191-R310 IonicContact OD1-CZ 3.92Å; D191-R310 IonicContact OD1-NH1 2.87Å; D191-R310 PolarHBondContact OD1-NH1 3.25Å; D191-R310 IonicContact OD1-NH2 2.72Å; D191-R310 PolarHBondContact OD1-NH2 3.12Å; D191-R310 IonicContact OD2-CZ 3.75Å; D191-R310 IonicContact OD2-NH1 3.86Å; D191-R310 PolarHBondContact OD2-NH1 2.83Å; D191-R310 IonicContact OD2-NH2 2.83Å
192	D	34.8	Very low	30.8	Very low	111 Å²	111	106.4 Å²	106.4	59%	0.594	56%	0.56	S	S	*	*			trans	-63	108.4	-176	-79	-25.4	0	0	0	111.4	N190 N194	N190-D192 PolarHBondContact O-N 3.48Å; D192-N194 PolarHBondContact O-N 3.01Å; D192-N194 PolarHBondContact O-ND2 3.38Å
193	I	32.6	Very low	31.1	Very low	135 Å²	135	107.7 Å²	107.7	69%	0.692	57%	0.573	S	S	*	*			trans	-64.4	89.5	168.1	-57.2	175	0	0	0	107.3	D191 V195	D191-I193 PolarHBondContact O-N 3.05Å; I193-V195 PolarHBondContact O-N 2.93Å
194	N	33.2	Very low	31.2	Very low	61 Å²	61	112.1 Å²	112.1	33%	0.326	59%	0.591	S	S	.	*			trans	-70.6	112.7	166.5	-81.1	-111.3	0	0	0	106.7	D192 D196 R279 R301	D192-N194 PolarHBondContact O-N 3.01Å; D192-N194 PolarHBondContact O-ND2 3.38Å; N194-D196 PolarHBondContact O-N 3.05Å; N194-R279 VanDerWaalsContact OD1-CZ 3.28Å; N194-R279 PolarHBondContact OD1-NH1 3.22Å; N194-R279 PolarHBondContact OD1-NH2 3.4Å; N194-R279 VanDerWaalsContact OD1-NH2 3.08Å; N194-R301 PolarHBondContact OD1-NH2 3.19Å
195	V	31.7	Very low	31.5	Very low	121 Å²	121	113 Å²	113	73%	0.733	61%	0.605	S	S	*	*			trans	-66.8	91.2	159.3	-177.8	0	0	0	0	105.9	I193 D197	I193-V195 PolarHBondContact O-N 2.93Å; V195-D197 PolarHBondContact O-N 2.96Å
196	D	34.9	Very low	31.6	Very low	65 Å²	65	117.6 Å²	117.6	35%	0.348	63%	0.63	S	S	.	*			trans	-71.3	118	165.4	-69.6	-62.6	0	0	0	106.6	N194 D198 R279 R301	N194-D196 PolarHBondContact O-N 3.05Å; D196-D198 PolarHBondContact O-N 3.41Å; D196-R279 IonicContact OD1-CZ 2.75Å; D196-R279 IonicContact OD1-NE 3.24Å; D196-R279 PolarHBondContact OD1-NE 3.41Å; D196-R279 IonicContact OD1-NH2 2.92Å; D196-R279 PolarHBondContact OD1-NH2 3Å; D196-R301 VanDerWaalsContact CG-NH1 3.27Å; D196-R301 IonicContact OD1-CZ 3.13Å; D196-R301 IonicContact OD1-NH1 2.61Å; D196-R301 PolarHBondContact OD1-NH1 2.93Å; D196-R301 VanDerWaalsContact OD1-NH1 3.1Å; D196-R301 IonicContact OD2-CZ 3.67Å; D196-R301 IonicContact OD2-NH1 2.85Å; D196-R301 PolarHBondContact OD2-NH1 3.15Å; D196-R301 IonicContact OD2-NH2 2.97Å
197	D	32.8	Very low	31.8	Very low	33 Å²	33	119.5 Å²	119.5	18%	0.176	65%	0.645	C	S	.	*			trans	-79.3	55.2	-165.9	-153.3	-24.1	0	0	0	110.7	V195 R260 R272	V195-D197 PolarHBondContact O-N 2.96Å; D197-R260 IonicContact OD1-CZ 3.95Å; D197-R260 IonicContact OD1-NE 2.64Å; D197-R260 IonicContact OD1-NH2 2.74Å; D197-R260 PolarHBondContact OD1-NH2 3.13Å; D197-R272 VanDerWaalsContact CG-NH1 3.31Å; D197-R272 IonicContact OD1-NH1 2.83Å; D197-R272 PolarHBondContact OD1-NH1 3.08Å; D197-R272 VanDerWaalsContact OD1-NH1 3.14Å; D197-R272 WeakPolarHBondContact OD2-CD 3.11Å; D197-R272 IonicContact OD2-CZ 3.69Å; D197-R272 IonicContact OD2-NE 3.32Å; D197-R272 IonicContact OD2-NH1 3.69Å; D197-R272 PolarHBondContact OD2-NH1 3.25Å
198	D	37	Very low	32.1	Very low	102 Å²	102	120.9 Å²	120.9	55%	0.545	65%	0.651	S	S	.	*			trans	-100.5	85.1	-169.4	-81.1	-41.8	0	0	0	111.9	D196 K269	D196-D198 PolarHBondContact O-N 3.41Å; D198-K269 IonicContact OD1-NZ 2.75Å
199	G	34.7	Very low	32.1	Very low	47 Å²	47	124 Å²	124	49%	0.485	67%	0.665	S	S	.	*			trans	171.3	141.3	171.5	0	0	0	0	0	114.3	R260	G199-R260 PolarHBondContact O-NH2 3.48Å
200	E	29.4	Very low	32.2	Very low	172 Å²	172	124.1 Å²	124.1	80%	0.804	67%	0.666	S	S	*	*			trans	-123.5	173.2	157.9	-73.3	174.5	119.8	0	0	107.3
201	E	31.5	Very low	32.2	Very low	204 Å²	204	126 Å²	126	95%	0.953	68%	0.676	S	S	*	*			trans	81.2	144.1	179.4	-147.5	154.5	-118.6	0	0	115.2
202	A	26	Very low	32.3	Very low	86 Å²	86	131.3 Å²	131.3	71%	0.711	71%	0.705	S	S	*	*			trans	-118.8	160.2	-157.2	0	0	0	0	0	112.8
203	D	32.8	Very low	32.2	Very low	162 Å²	162	132.8 Å²	132.8	87%	0.866	71%	0.713	S	S	*	*			trans	-159.8	129.5	144.7	-100.9	-30	0	0	0	108.3	V205	D203-V205 PolarHBondContact O-N 2.98Å
204	E	26.6	Very low	32.3	Very low	197 Å²	197	134.3 Å²	134.3	92%	0.921	72%	0.722	S	S	*	*			trans	-80.9	114	176.1	-68.3	-174.8	139.1	0	0	110.4
205	V	33.8	Very low	32.2	Very low	118 Å²	118	137.1 Å²	137.1	72%	0.715	73%	0.734	S	S	*	*			trans	-135.9	110.9	163.1	-175	0	0	0	0	109.2	D203 V207	D203-V205 PolarHBondContact O-N 2.98Å; V205-V207 HydrophobicContact CG1-CG2 4.1Å; V205-V207 PolarHBondContact O-N 3.45Å
206	L	26.9	Very low	32.5	Very low	178 Å²	178	140.5 Å²	140.5	93%	0.932	74%	0.738	S	S	*	*			trans	-63.4	127.4	168.2	-62.5	170.4	0	0	0	109.2
207	V	33.2	Very low	32.5	Very low	122 Å²	122	144.3 Å²	144.3	74%	0.739	75%	0.752	S	S	*	*			trans	-137.5	129.8	165.5	-165.4	0	0	0	0	107	V205	V205-V207 HydrophobicContact CG1-CG2 4.1Å; V205-V207 PolarHBondContact O-N 3.45Å
208	E	32.4	Very low	32.6	Very low	179 Å²	179	147.7 Å²	147.7	84%	0.836	78%	0.778	S	S	*	*			trans	-72.9	137.5	-176.8	-65.9	161.1	155.1	0	0	109.9	D210	E208-D210 PolarHBondContact O-N 3.38Å
209	E	33.7	Very low	32.3	Very low	192 Å²	192	149.3 Å²	149.3	90%	0.897	79%	0.787	S	S	*	*			trans	-84.7	93.1	175	-66.8	-166.6	144.8	0	0	109	D211	E209-D211 PolarHBondContact O-N 2.87Å
210	D	33.3	Very low	32.3	Very low	161 Å²	161	151.2 Å²	151.2	86%	0.861	79%	0.793	S	S	*	*			trans	-65.5	110.6	169.6	-88.2	-40.6	0	0	0	110.1	E208	E208-D210 PolarHBondContact O-N 3.38Å
211	D	32.2	Very low	32.3	Very low	143 Å²	143	150.8 Å²	150.8	77%	0.765	79%	0.791	S	S	*	*			trans	-59.3	137.3	169.4	-74	-52.6	0	0	0	111.1	E209	E209-D211 PolarHBondContact O-N 2.87Å
212	N	35.2	Very low	32.6	Very low	168 Å²	168	148.3 Å²	148.3	90%	0.898	78%	0.783	S	S	*	*			trans	-159.7	117.5	148.5	-106.2	-79.8	0	0	0	110
213	D	32.1	Very low	32.9	Very low	142 Å²	142	150.5 Å²	150.5	76%	0.759	78%	0.783	S	S	*	*			trans	-76.3	161.3	-180	-80.7	-63.6	0	0	0	113.7
214	D	34.2	Very low	32.8	Very low	168 Å²	168	148.9 Å²	148.9	90%	0.898	78%	0.779	S	S	*	*			trans	-137.9	76	155.7	-135.9	-20.6	0	0	0	107.8	K216	D214-K216 PolarHBondContact O-N 2.85Å
215	E	32.2	Very low	33.4	Very low	120 Å²	120	145.2 Å²	145.2	56%	0.561	78%	0.775	S	S	*	*			trans	-59.8	132.6	179.1	-86.2	-142.5	111.3	0	0	111.4	K217	E215-K217 WeakPolarHBondContact OE1-CE 3.23Å; E215-K217 IonicContact OE1-NZ 2.69Å; E215-K217 PolarHBondContact OE1-NZ 3.27Å; E215-K217 IonicContact OE2-NZ 3.3Å; E215-K217 PolarHBondContact OE2-NZ 3.05Å
216	K	37.6	Very low	33.4	Very low	192 Å²	192	146.6 Å²	146.6	84%	0.835	78%	0.778	S	S	*	*			trans	-121.9	93	150.5	-84.5	-172.4	173.9	174	0	110.7	D214	D214-K216 PolarHBondContact O-N 2.85Å
217	K	35.1	Very low	34	Very low	144 Å²	144	146.2 Å²	146.2	63%	0.626	78%	0.777	S	S	*	*			trans	-109.5	123.7	177.4	179.3	-172.7	-79.4	139.4	0	109.4	E215	E215-K217 WeakPolarHBondContact OE1-CE 3.23Å; E215-K217 IonicContact OE1-NZ 2.69Å; E215-K217 PolarHBondContact OE1-NZ 3.27Å; E215-K217 IonicContact OE2-NZ 3.3Å; E215-K217 PolarHBondContact OE2-NZ 3.05Å
218	S	33.8	Very low	34	Very low	104 Å²	104	146.8 Å²	146.8	73%	0.727	78%	0.782	S	S	*	*			trans	-160.3	95	164.1	56.1	0	0	0	0	107.8
219	N	31.4	Very low	34.5	Very low	136 Å²	136	144 Å²	144	73%	0.727	78%	0.781	S	S	*	*				83.8	118.7	97.7	-67.9	10.9	0	0	0	110.9
220	S	34.5	Very low	35	Very low	88 Å²	88	140.7 Å²	140.7	62%	0.615	78%	0.775	S	S	*	*				68.9	131.6	63.4	95.7	0	0	0	0	111.5
221	E	30.7	Very low	36.1	Very low	163 Å²	163	140.8 Å²	140.8	76%	0.762	78%	0.775	S	S	*	*			cis	-139	171.2	-1.6	-87.1	114.5	124.1	0	0	110
222	L	37.3	Very low	38	Very low	152 Å²	152	140.7 Å²	140.7	80%	0.796	77%	0.768	S	S	*	*			trans	178.8	113.6	134.4	-97.4	168.1	0	0	0	113.4
223	N	32.3	Very low	40.4	Very low	131 Å²	131	137 Å²	137	70%	0.701	75%	0.751	S	S	*	*			trans	45.3	99.6	135.2	-61.7	6.9	0	0	0	119.8
224	T	30.9	Very low	43.1	Very low	128 Å²	128	133.9 Å²	133.9	79%	0.785	73%	0.73	S	S	*	*				76	106.4	83.3	59.6	0	0	0	0	117.1
225	S	38.8	Very low	45.6	Very low	120 Å²	120	129.5 Å²	129.5	84%	0.839	71%	0.709	S	S	*	*			trans	-170.4	159	130	29.9	0	0	0	0	110.8
226	D	32.9	Very low	48.4	Very low	147 Å²	147	123.9 Å²	123.9	79%	0.786	68%	0.683	S	S	*	*			trans	-55.7	138.3	-157.9	-54.4	-68.1	0	0	0	118
227	N	40.7	Very low	50.7	Low	170 Å²	170	120 Å²	120	91%	0.909	68%	0.678	S	S	*	*			trans	-161.1	112.4	145.2	-109.8	-70.2	0	0	0	110.4
228	T	31.8	Very low	53.1	Low	135 Å²	135	118.5 Å²	118.5	83%	0.828	67%	0.673	S	S	*	*			trans	-95.3	110.3	-172.5	41.1	0	0	0	0	112.5
229	S	43.1	Very low	55.8	Low	119 Å²	119	115.8 Å²	115.8	83%	0.832	65%	0.653	S	S	*	*			trans	-154.2	144.3	164.1	-85.3	0	0	0	0	111.3	N231	S229-N231 PolarHBondContact O-N 3.43Å
230	T	45.3	Very low	58.5	Low	123 Å²	123	111.5 Å²	111.5	76%	0.755	64%	0.641	S	S	*	*			trans	-80.5	102.5	-167.9	49.6	0	0	0	0	112.3	K232	T230-K232 VanDerWaalsContact C-N 3.29Å; T230-K232 PolarHBondContact O-N 3.48Å
231	N	56.9	Low	61	Low	164 Å²	164	113.3 Å²	113.3	88%	0.877	64%	0.638	S	S	*	*			trans	-68.2	84.4	169.7	-96.4	-18.6	0	0	0	110.6	S229 T233	S229-N231 PolarHBondContact O-N 3.43Å; N231-T233 PolarHBondContact O-N 3.33Å
232	K	70.5	Confident	63.8	Low	141 Å²	141	109.8 Å²	109.8	61%	0.613	63%	0.628	S	S	*	*			trans	-69	113.7	172.7	-69.2	179.4	179.9	177.1	0	109.8	T230 Y234	T230-K232 VanDerWaalsContact C-N 3.29Å; T230-K232 PolarHBondContact O-N 3.48Å; K232-Y234 HydrophobicContact CB-CE2 4.23Å; K232-Y234 WeakPolarHBondContact O-CD2 3.49Å; K232-Y234 WeakPolarHBondContact O-CE2 3.46Å
233	T	87.2	Confident	66.2	Low	89 Å²	89	104.8 Å²	104.8	55%	0.546	60%	0.599	S	S	.	*			trans	-84.1	158.3	168.1	50.4	0	0	0	0	111	N231 V242 F243	N231-T233 PolarHBondContact O-N 3.33Å; T233-V242 HydrophobicContact CG2-CG1 3.99Å; T233-F243 CarbonylContact C-O 3.56Å; T233-F243 WeakPolarHBondContact CA-O 3.44Å
234	Y	88	Confident	68.9	Low	77 Å²	77	104.2 Å²	104.2	30%	0.302	60%	0.601	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.7	107.7	-176	-64.6	-90.9	0	0	0	109.6	K232 F243 A245 H246	K232-Y234 HydrophobicContact CB-CE2 4.23Å; K232-Y234 WeakPolarHBondContact O-CD2 3.49Å; K232-Y234 WeakPolarHBondContact O-CE2 3.46Å; Y234-F243 PolarHBondContact N-O 3.25Å; Y234-F243 PolarHBondContact O-N 3.12Å; Y234-A245 VanDerWaalsContact CD2-C 3.44Å; Y234-H246 HydrophobicContact CD1-CB 3.93Å; Y234-H246 AromaticContact CD1-ND1 3.48Å; Y234-H246 WeakPolarHBondContact CD1-ND1 3.41Å; Y234-H246 HydrophobicContact CD2-CB 4.37Å; Y234-H246 VanDerWaalsContact CD2-N 3.3Å; Y234-H246 HydrophobicContact CE1-CB 3.67Å; Y234-H246 AromaticContact CE1-CG 3.99Å; Y234-H246 AromaticContact CE1-ND1 3.6Å; Y234-H246 HydrophobicContact CE2-CB 4.15Å; Y234-H246 HydrophobicContact CG-CB 4.27Å
235	T	86.8	Confident	71.6	Confident	77 Å²	77	99.2 Å²	99.2	47%	0.472	57%	0.572	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.5	136.1	-177.6	-50.6	0	0	0	0	111.2	G240 V242	T235-G240 WeakPolarHBondContact CG2-O 3.32Å; T235-V242 HydrophobicContact CG2-CG2 4.23Å
236	C	90.4	Very high	73.9	Confident	1 Å²	1	98.6 Å²	98.6	1%	0.007	56%	0.556	C	S	.	*			trans	-71.9	125.3	170.1	178.9	0	0	0	0	110.6	E238 C239 G240 K241 F243 L249 H252	C236-E238 PolarHBondContact O-N 3.34Å; C236-C239 VanDerWaalsContact SG-SG 3.65Å; C236-G240 WeakPolarHBondContact O-CA 3.36Å; C236-G240 PolarHBondContact O-N 2.79Å; C236-K241 PolarHBondContact N-O 2.96Å; C236-F243 HydrophobicContact CB-CE2 4.23Å; C236-L249 HydrophobicContact CB-CD1 3.64Å; C236-H252 VanDerWaalsContact SG-CD2 3.55Å; C236-H252 PolarHBondContact SG-NE2 3.47Å; C236-H252 VanDerWaalsContact SG-NE2 3.4Å
237	P	86.3	Confident	76.5	Confident	112 Å²	112	98 Å²	98	73%	0.727	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-21.7	-177.7	27.4	-34.8	0	0	0	113.6	M253	P237-M253 HydrophobicContact CG-CE 4.43Å
238	E	86.2	Confident	78.7	Confident	111 Å²	111	91.2 Å²	91.2	52%	0.519	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-17.7	-173	-66.4	-179	-116.2	0	0	114.7	C236 M253 H256	C236-E238 PolarHBondContact O-N 3.34Å; E238-M253 WeakPolarHBondContact OE1-CE 3.23Å; E238-H256 WeakPolarHBondContact CB-CE1 3.2Å; E238-H256 WeakPolarHBondContact CB-ND1 3.48Å; E238-H256 WeakPolarHBondContact OE1-CB 3.31Å; E238-H256 IonicContact OE1-CG 3.76Å; E238-H256 IonicContact OE1-ND1 3.93Å; E238-H256 VanDerWaalsContact OE2-CB 3.28Å; E238-H256 WeakPolarHBondContact OE2-CB 3.43Å; E238-H256 IonicContact OE2-CE1 2.68Å; E238-H256 IonicContact OE2-CG 3.1Å; E238-H256 IonicContact OE2-ND1 3.67Å; E238-H256 PolarHBondContact OE2-ND1 3.01Å
239	C	89.3	Confident	81.3	Confident	48 Å²	48	85.7 Å²	85.7	32%	0.324	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.3	12.6	177.5	66	0	0	0	0	114.8	C236 K241 H252 H256	C236-C239 VanDerWaalsContact SG-SG 3.65Å; C239-K241 PolarHBondContact O-N 3.13Å; C239-H252 PolarHBondContact SG-NE2 2.91Å; C239-H252 VanDerWaalsContact SG-NE2 3.36Å; C239-H256 PolarHBondContact SG-NE2 3.12Å
240	G	88.4	Confident	83.4	Confident	46 Å²	46	83.7 Å²	83.7	47%	0.474	46%	0.456	S	S	.	.			trans	65.6	-2	176.2	0	0	0	0	0	116.2	T235 C236 V242	T235-G240 WeakPolarHBondContact CG2-O 3.32Å; C236-G240 WeakPolarHBondContact O-CA 3.36Å; C236-G240 PolarHBondContact O-N 2.79Å; G240-V242 PolarHBondContact O-N 3.43Å
241	K	86.7	Confident	85.3	Confident	125 Å²	125	82.7 Å²	82.7	54%	0.543	44%	0.438	S	S	.	.			trans	-64.5	125.6	-177.1	-69.7	178.3	-172.8	173.1	0	110.9	C236 C239 F243	C236-K241 PolarHBondContact N-O 2.96Å; C239-K241 PolarHBondContact O-N 3.13Å; K241-F243 HydrophobicContact CB-CE2 3.98Å; K241-F243 HydrophobicContact CB-CZ 4.07Å; K241-F243 WeakPolarHBondContact O-CD2 3.22Å; K241-F243 WeakPolarHBondContact O-CE2 3.43Å
242	V	89.3	Confident	86.7	Confident	90 Å²	90	75.6 Å²	75.6	55%	0.545	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	127.6	-176.7	-174.4	0	0	0	0	110.2	T233 T235 G240	T233-V242 HydrophobicContact CG2-CG1 3.99Å; T235-V242 HydrophobicContact CG2-CG2 4.23Å; G240-V242 PolarHBondContact O-N 3.43Å
243	F	89.4	Confident	87.4	Confident	46 Å²	46	71.2 Å²	71.2	20%	0.202	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	146.3	178.3	-60.6	-81.7	0	0	0	111.3	T233 Y234 C236 K241 A245 N248 L249 H252	T233-F243 CarbonylContact C-O 3.56Å; T233-F243 WeakPolarHBondContact CA-O 3.44Å; Y234-F243 PolarHBondContact N-O 3.25Å; Y234-F243 PolarHBondContact O-N 3.12Å; C236-F243 HydrophobicContact CB-CE2 4.23Å; K241-F243 HydrophobicContact CB-CE2 3.98Å; K241-F243 HydrophobicContact CB-CZ 4.07Å; K241-F243 WeakPolarHBondContact O-CD2 3.22Å; K241-F243 WeakPolarHBondContact O-CE2 3.43Å; F243-A245 VanDerWaalsContact C-N 3.29Å; F243-A245 PolarHBondContact O-N 3.19Å; F243-N248 HydrophobicContact CB-CB 4.01Å; F243-N248 HydrophobicContact CD1-CB 3.76Å; F243-N248 HydrophobicContact CG-CB 4.11Å; F243-L249 HydrophobicContact CB-CB 4.48Å; F243-L249 HydrophobicContact CD2-CB 3.86Å; F243-L249 HydrophobicContact CD2-CD1 3.98Å; F243-L249 HydrophobicContact CD2-CG 4.49Å; F243-L249 HydrophobicContact CE2-CD1 3.98Å; F243-L249 HydrophobicContact CG-CB 4.35Å; F243-H252 HydrophobicContact CE1-CB 4.27Å; F243-H252 HydrophobicContact CE2-CB 3.95Å; F243-H252 AromaticContact CE2-CG 3.8Å; F243-H252 HydrophobicContact CZ-CB 3.58Å; F243-H252 AromaticContact CZ-CG 3.47Å; F243-H252 VanDerWaalsContact CZ-CG 3.47Å; F243-H252 AromaticContact CZ-ND1 3.6Å
244	T	88	Confident	87.4	Confident	120 Å²	120	68 Å²	68	74%	0.736	36%	0.362	S	S	*	.	S	Bend	trans	-78.1	-8.6	178.8	49.8	0	0	0	0	114.3
245	A	87.6	Confident	87.3	Confident	22 Å²	22	68.6 Å²	68.6	18%	0.182	37%	0.37	C	S	.	.	S	Bend	trans	-155.5	147.8	-179.2	0	0	0	0	0	111.5	Y234 F243 Y247 N248	Y234-A245 VanDerWaalsContact CD2-C 3.44Å; F243-A245 VanDerWaalsContact C-N 3.29Å; F243-A245 PolarHBondContact O-N 3.19Å; A245-Y247 HydrophobicContact CB-CD1 3.68Å; A245-Y247 HydrophobicContact CB-CE1 3.36Å; A245-Y247 PolarHBondContact O-N 2.77Å; A245-N248 WeakPolarHBondContact O-CB 3.49Å; A245-N248 PolarHBondContact O-N 3.49Å; A245-N248 VanDerWaalsContact O-N 3.15Å
246	H	87.4	Confident	87.3	Confident	107 Å²	107	67.8 Å²	67.8	50%	0.495	36%	0.361	S	S	.	.	H	α-helix	trans	-57.5	-44.5	-174.6	-169.8	72.1	0	0	0	113	Y234 N248 L249 T250	Y234-H246 HydrophobicContact CD1-CB 3.93Å; Y234-H246 AromaticContact CD1-ND1 3.48Å; Y234-H246 WeakPolarHBondContact CD1-ND1 3.41Å; Y234-H246 HydrophobicContact CD2-CB 4.37Å; Y234-H246 VanDerWaalsContact CD2-N 3.3Å; Y234-H246 HydrophobicContact CE1-CB 3.67Å; Y234-H246 AromaticContact CE1-CG 3.99Å; Y234-H246 AromaticContact CE1-ND1 3.6Å; Y234-H246 HydrophobicContact CE2-CB 4.15Å; Y234-H246 HydrophobicContact CG-CB 4.27Å; H246-N248 PolarHBondContact O-N 3.31Å; H246-N248 VanDerWaalsContact O-N 3.12Å; H246-L249 CarbonylContact O-C 3.56Å; H246-L249 WeakPolarHBondContact O-CA 3.34Å; H246-L249 WeakPolarHBondContact O-CB 3.44Å; H246-L249 PolarHBondContact O-N 3.28Å; H246-T250 PolarHBondContact CD2-OG1 2.68Å; H246-T250 VanDerWaalsContact CD2-OG1 3.3Å; H246-T250 PolarHBondContact NE2-OG1 2.92Å; H246-T250 PolarHBondContact O-N 3.48Å; H246-T250 PolarHBondContact O-OG1 3.47Å
247	Y	86.2	Confident	86.9	Confident	134 Å²	134	72.3 Å²	72.3	53%	0.525	39%	0.388	S	S	.	.	H	α-helix	trans	-58.9	-28.8	-178.5	73.1	-96.2	0	0	0	113.3	A245 R251	A245-Y247 HydrophobicContact CB-CD1 3.68Å; A245-Y247 HydrophobicContact CB-CE1 3.36Å; A245-Y247 PolarHBondContact O-N 2.77Å; Y247-R251 WeakPolarHBondContact O-CB 3.31Å; Y247-R251 PolarHBondContact O-N 3.24Å
248	N	86.9	Confident	86.8	Confident	29 Å²	29	69.2 Å²	69.2	16%	0.155	38%	0.377	C	S	.	.	H	α-helix	trans	-70.4	-38.8	174.8	-77.7	-51.6	0	0	0	111.5	F243 A245 H246 R251 H252	F243-N248 HydrophobicContact CB-CB 4.01Å; F243-N248 HydrophobicContact CD1-CB 3.76Å; F243-N248 HydrophobicContact CG-CB 4.11Å; A245-N248 WeakPolarHBondContact O-CB 3.49Å; A245-N248 PolarHBondContact O-N 3.49Å; A245-N248 VanDerWaalsContact O-N 3.15Å; H246-N248 PolarHBondContact O-N 3.31Å; H246-N248 VanDerWaalsContact O-N 3.12Å; N248-R251 PolarHBondContact O-N 2.84Å; N248-R251 PolarHBondContact OD1-NH2 3.29Å; N248-H252 WeakPolarHBondContact O-CB 3.47Å; N248-H252 PolarHBondContact O-N 3.37Å
249	L	87.3	Confident	86.6	Confident	19 Å²	19	65.9 Å²	65.9	10%	0.099	37%	0.368	C	S	.	.	H	α-helix	trans	-66.3	-46.2	171.2	175.1	59	0	0	0	111	C236 F243 H246 R251 H252 M253	C236-L249 HydrophobicContact CB-CD1 3.64Å; F243-L249 HydrophobicContact CB-CB 4.48Å; F243-L249 HydrophobicContact CD2-CB 3.86Å; F243-L249 HydrophobicContact CD2-CD1 3.98Å; F243-L249 HydrophobicContact CD2-CG 4.49Å; F243-L249 HydrophobicContact CE2-CD1 3.98Å; F243-L249 HydrophobicContact CG-CB 4.35Å; H246-L249 CarbonylContact O-C 3.56Å; H246-L249 WeakPolarHBondContact O-CA 3.34Å; H246-L249 WeakPolarHBondContact O-CB 3.44Å; H246-L249 PolarHBondContact O-N 3.28Å; L249-R251 PolarHBondContact O-N 2.83Å; L249-H252 WeakPolarHBondContact O-CA 3.22Å; L249-H252 WeakPolarHBondContact O-CB 3.49Å; L249-H252 PolarHBondContact O-N 2.86Å; L249-M253 HydrophobicContact CD1-CG 4.4Å; L249-M253 HydrophobicContact CD1-SD 3.72Å; L249-M253 HydrophobicContact CG-SD 4.46Å; L249-M253 WeakPolarHBondContact O-CG 3.17Å; L249-M253 PolarHBondContact O-N 2.9Å
250	T	86.4	Confident	86.5	Confident	76 Å²	76	67.3 Å²	67.3	47%	0.466	37%	0.367	S	S	.	.	H	α-helix	trans	-55.9	-40.2	176.1	-40.7	0	0	0	0	111.8	H246 H252 P254	H246-T250 PolarHBondContact CD2-OG1 2.68Å; H246-T250 VanDerWaalsContact CD2-OG1 3.3Å; H246-T250 PolarHBondContact NE2-OG1 2.92Å; H246-T250 PolarHBondContact O-N 3.48Å; H246-T250 PolarHBondContact O-OG1 3.47Å; T250-H252 VanDerWaalsContact C-N 3.33Å; T250-P254 VanDerWaalsContact O-CD 3.24Å; T250-P254 WeakPolarHBondContact O-CD 3.44Å
251	R	85.2	Confident	86.2	Confident	103 Å²	103	69.1 Å²	69.1	39%	0.389	37%	0.37	S	S	.	.	H	α-helix	trans	-75.9	-16.2	176.4	-173.6	170.2	64.8	-177.4	1.6	114	Y247 N248 L249 Q273	Y247-R251 WeakPolarHBondContact O-CB 3.31Å; Y247-R251 PolarHBondContact O-N 3.24Å; N248-R251 PolarHBondContact O-N 2.84Å; N248-R251 PolarHBondContact OD1-NH2 3.29Å; L249-R251 PolarHBondContact O-N 2.83Å; R251-Q273 HydrophobicContact CG-CG 4.15Å
252	H	87.8	Confident	86.2	Confident	15 Å²	15	66.9 Å²	66.9	7%	0.069	36%	0.361	C	S	.	.	H	α-helix	trans	-86.2	-36.7	174.4	170	87.6	0	0	0	112.5	C236 C239 F243 N248 L249 T250 P254 I255 H256	C236-H252 VanDerWaalsContact SG-CD2 3.55Å; C236-H252 PolarHBondContact SG-NE2 3.47Å; C236-H252 VanDerWaalsContact SG-NE2 3.4Å; C239-H252 PolarHBondContact SG-NE2 2.91Å; C239-H252 VanDerWaalsContact SG-NE2 3.36Å; F243-H252 HydrophobicContact CE1-CB 4.27Å; F243-H252 HydrophobicContact CE2-CB 3.95Å; F243-H252 AromaticContact CE2-CG 3.8Å; F243-H252 HydrophobicContact CZ-CB 3.58Å; F243-H252 AromaticContact CZ-CG 3.47Å; F243-H252 VanDerWaalsContact CZ-CG 3.47Å; F243-H252 AromaticContact CZ-ND1 3.6Å; N248-H252 WeakPolarHBondContact O-CB 3.47Å; N248-H252 PolarHBondContact O-N 3.37Å; L249-H252 WeakPolarHBondContact O-CA 3.22Å; L249-H252 WeakPolarHBondContact O-CB 3.49Å; L249-H252 PolarHBondContact O-N 2.86Å; T250-H252 VanDerWaalsContact C-N 3.33Å; H252-P254 VanDerWaalsContact C-N 3.32Å; H252-P254 VanDerWaalsContact O-N 3.14Å; H252-I255 VanDerWaalsContact O-CB 3.24Å; H252-I255 WeakPolarHBondContact O-CB 3.45Å; H252-I255 WeakPolarHBondContact O-CG1 3.08Å; H252-I255 PolarHBondContact O-N 3.27Å; H252-H256 AromaticContact CD2-CD2 3.83Å; H252-H256 AromaticContact CE1-CD2 4Å; H252-H256 AromaticContact CE1-NE2 3.7Å; H252-H256 AromaticContact NE2-CD2 3.18Å; H252-H256 PolarHBondContact NE2-CD2 2.85Å; H252-H256 AromaticContact NE2-NE2 2.98Å; H252-H256 PolarHBondContact NE2-NE2 2.67Å
253	M	84.7	Confident	86.1	Confident	48 Å²	48	67.4 Å²	67.4	24%	0.236	36%	0.359	C	S	.	.	H	α-helix	trans	-53	-33.8	-178.4	-61.7	-49.2	-62.1	0	0	115.8	P237 E238 L249 I255 H256 T257	P237-M253 HydrophobicContact CG-CE 4.43Å; E238-M253 WeakPolarHBondContact OE1-CE 3.23Å; L249-M253 HydrophobicContact CD1-CG 4.4Å; L249-M253 HydrophobicContact CD1-SD 3.72Å; L249-M253 HydrophobicContact CG-SD 4.46Å; L249-M253 WeakPolarHBondContact O-CG 3.17Å; L249-M253 PolarHBondContact O-N 2.9Å; M253-I255 PolarHBondContact O-N 3.39Å; M253-I255 VanDerWaalsContact O-N 3.1Å; M253-H256 WeakPolarHBondContact O-CB 3.23Å; M253-H256 PolarHBondContact O-N 3.35Å; M253-T257 PolarHBondContact O-N 3.06Å; M253-T257 PolarHBondContact O-OG1 3.4Å
254	P	86.9	Confident	86	Confident	21 Å²	21	65.3 Å²	65.3	14%	0.136	35%	0.35	C	S	.	.	H	α-helix	trans	-59.9	-13.9	171.5	-27.6	36.8	0	0	0	115.6	T250 H252 A259 R272	T250-P254 VanDerWaalsContact O-CD 3.24Å; T250-P254 WeakPolarHBondContact O-CD 3.44Å; H252-P254 VanDerWaalsContact C-N 3.32Å; H252-P254 VanDerWaalsContact O-N 3.14Å; P254-A259 WeakPolarHBondContact CB-O 3.34Å; P254-R272 HydrophobicContact CB-CB 4.1Å; P254-R272 HydrophobicContact CB-CG 3.99Å; P254-R272 PolarHBondContact O-NE 2.93Å
255	I	85.3	Confident	86	Confident	91 Å²	91	69.2 Å²	69.2	47%	0.467	36%	0.357	S	S	.	.	H	α-helix	trans	-66.9	-45.8	171.1	-64.3	176.1	0	0	0	109.9	H252 M253 R272	H252-I255 VanDerWaalsContact O-CB 3.24Å; H252-I255 WeakPolarHBondContact O-CB 3.45Å; H252-I255 WeakPolarHBondContact O-CG1 3.08Å; H252-I255 PolarHBondContact O-N 3.27Å; M253-I255 PolarHBondContact O-N 3.39Å; M253-I255 VanDerWaalsContact O-N 3.1Å; I255-R272 PolarHBondContact O-NH2 2.95Å; I255-R272 VanDerWaalsContact O-NH2 3.13Å
256	H	86.6	Confident	85.9	Confident	60 Å²	60	73.1 Å²	73.1	28%	0.278	38%	0.379	S	S	.	.	H	α-helix	trans	-75.3	-52.4	-174.6	-77.7	-88.6	0	0	0	113.5	E238 C239 H252 M253 G258	E238-H256 WeakPolarHBondContact CB-CE1 3.2Å; E238-H256 WeakPolarHBondContact CB-ND1 3.48Å; E238-H256 WeakPolarHBondContact OE1-CB 3.31Å; E238-H256 IonicContact OE1-CG 3.76Å; E238-H256 IonicContact OE1-ND1 3.93Å; E238-H256 VanDerWaalsContact OE2-CB 3.28Å; E238-H256 WeakPolarHBondContact OE2-CB 3.43Å; E238-H256 IonicContact OE2-CE1 2.68Å; E238-H256 IonicContact OE2-CG 3.1Å; E238-H256 IonicContact OE2-ND1 3.67Å; E238-H256 PolarHBondContact OE2-ND1 3.01Å; C239-H256 PolarHBondContact SG-NE2 3.12Å; H252-H256 AromaticContact CD2-CD2 3.83Å; H252-H256 AromaticContact CE1-CD2 4Å; H252-H256 AromaticContact CE1-NE2 3.7Å; H252-H256 AromaticContact NE2-CD2 3.18Å; H252-H256 PolarHBondContact NE2-CD2 2.85Å; H252-H256 AromaticContact NE2-NE2 2.98Å; H252-H256 PolarHBondContact NE2-NE2 2.67Å; M253-H256 WeakPolarHBondContact O-CB 3.23Å; M253-H256 PolarHBondContact O-N 3.35Å; H256-G258 PolarHBondContact O-N 2.8Å
257	T	83.9	Confident	85.9	Confident	95 Å²	95	70.5 Å²	70.5	58%	0.583	37%	0.372	S	S	*	.	S	Bend	trans	-72.7	-1	-176.1	56.5	0	0	0	0	114	M253 A259	M253-T257 PolarHBondContact O-N 3.06Å; M253-T257 PolarHBondContact O-OG1 3.4Å; T257-A259 PolarHBondContact O-N 3.35Å; T257-A259 VanDerWaalsContact OG1-CB 3.25Å; T257-A259 WeakPolarHBondContact OG1-CB 3.34Å; T257-A259 PolarHBondContact OG1-N 3.18Å
258	G	83.2	Confident	85.9	Confident	47 Å²	47	70.2 Å²	70.2	49%	0.485	38%	0.379	S	S	.	.			trans	63	0.4	-168.5	0	0	0	0	0	114.3	H256 R260	H256-G258 PolarHBondContact O-N 2.8Å; G258-R260 PolarHBondContact O-N 3.17Å
259	A	81.8	Confident	85.8	Confident	41 Å²	41	73 Å²	73	34%	0.339	39%	0.39	S	S	.	.			trans	-63.2	129.2	-170.9	0	0	0	0	0	111.4	P254 T257 P261	P254-A259 WeakPolarHBondContact CB-O 3.34Å; T257-A259 PolarHBondContact O-N 3.35Å; T257-A259 VanDerWaalsContact OG1-CB 3.25Å; T257-A259 WeakPolarHBondContact OG1-CB 3.34Å; T257-A259 PolarHBondContact OG1-N 3.18Å; A259-P261 WeakPolarHBondContact O-CD 3.49Å
260	R	86.3	Confident	85.8	Confident	78 Å²	78	72.7 Å²	72.7	29%	0.294	39%	0.392	S	S	.	.			trans	-124.4	71.7	179.6	-81.7	171.5	161.4	178	-2.3	109.8	D197 G199 G258 F262 G270 F271 R272	D197-R260 IonicContact OD1-CZ 3.95Å; D197-R260 IonicContact OD1-NE 2.64Å; D197-R260 IonicContact OD1-NH2 2.74Å; D197-R260 PolarHBondContact OD1-NH2 3.13Å; G199-R260 PolarHBondContact O-NH2 3.48Å; G258-R260 PolarHBondContact O-N 3.17Å; R260-F262 PolarHBondContact O-N 3.44Å; R260-F262 VanDerWaalsContact O-N 3.17Å; R260-G270 VanDerWaalsContact CD-O 3.27Å; R260-G270 WeakPolarHBondContact CD-O 3.4Å; R260-F271 CarbonylContact C-O 3.12Å; R260-F271 WeakPolarHBondContact CA-O 3.45Å; R260-R272 HydrophobicContact CG-CG 4.23Å
261	P	83.5	Confident	85.7	Confident	85 Å²	85	69.4 Å²	69.4	55%	0.552	37%	0.371	S	S	*	.			trans	-65.1	-23.1	-167.5	-20.9	33.7	0	0	0	114.6	A259 I263 F271	A259-P261 WeakPolarHBondContact O-CD 3.49Å; P261-I263 PolarHBondContact O-N 2.86Å; P261-F271 WeakPolarHBondContact CD-O 3.37Å
262	F	86.4	Confident	85.7	Confident	78 Å²	78	67.6 Å²	67.6	34%	0.342	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	88.6	-170.6	-58.5	-80.5	0	0	0	110.1	R260 F271 Q273 A274 L277	R260-F262 PolarHBondContact O-N 3.44Å; R260-F262 VanDerWaalsContact O-N 3.17Å; F262-F271 HydrophobicContact CB-CB 4.29Å; F262-F271 PolarHBondContact N-O 3.43Å; F262-F271 WeakPolarHBondContact O-CD2 3.32Å; F262-F271 PolarHBondContact O-N 2.85Å; F262-Q273 VanDerWaalsContact CD2-CA 3.48Å; F262-A274 HydrophobicContact CD1-CB 3.8Å; F262-A274 HydrophobicContact CE1-CB 3.64Å; F262-A274 HydrophobicContact CG-CB 4.37Å; F262-A274 HydrophobicContact CZ-CB 4.08Å; F262-L277 HydrophobicContact CB-CB 3.93Å; F262-L277 HydrophobicContact CB-CD2 3.81Å; F262-L277 HydrophobicContact CB-CG 4.48Å
263	I	86.1	Confident	85.5	Confident	100 Å²	100	69.8 Å²	69.8	51%	0.513	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	133.2	-175.2	-58.4	174.6	0	0	0	111.9	P261 K265	P261-I263 PolarHBondContact O-N 2.86Å; I263-K265 PolarHBondContact O-N 2.97Å
264	C	87.7	Confident	85.5	Confident	2 Å²	2	69.9 Å²	69.9	1%	0.014	38%	0.383	C	S	.	.			trans	-78.2	111.7	172.8	-173.6	0	0	0	0	111.5	V266 C267 N268 K269 F271 L277 H280 H284	C264-V266 PolarHBondContact O-N 2.97Å; C264-C267 PolarHBondContact O-N 3.11Å; C264-N268 WeakPolarHBondContact O-CA 3.2Å; C264-N268 PolarHBondContact O-N 3.24Å; C264-K269 PolarHBondContact N-O 3.06Å; C264-F271 HydrophobicContact CB-CE2 4.21Å; C264-L277 HydrophobicContact CB-CD1 3.6Å; C264-H280 WeakPolarHBondContact CB-NE2 3.36Å; C264-H280 VanDerWaalsContact SG-CD2 3.54Å; C264-H280 PolarHBondContact SG-NE2 3.49Å; C264-H284 VanDerWaalsContact SG-CD2 3.57Å; C264-H284 PolarHBondContact SG-NE2 3.4Å
265	K	87.7	Confident	85.3	Confident	202 Å²	202	71.9 Å²	71.9	88%	0.878	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-2.6	179.4	-60.5	-170.7	178.5	-174.2	0	115.6	I263	I263-K265 PolarHBondContact O-N 2.97Å
266	V	85.6	Confident	85.2	Confident	105 Å²	105	68.6 Å²	68.6	64%	0.636	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	-31	-178.2	-174.9	0	0	0	0	112.5	C264 H284	C264-V266 PolarHBondContact O-N 2.97Å; V266-H284 HydrophobicContact CG1-CB 4.27Å
267	C	87.4	Confident	85.2	Confident	52 Å²	52	66.6 Å²	66.6	35%	0.351	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.6	8.8	179	66.4	0	0	0	0	114.4	C264 K269 H280 H284	C264-C267 PolarHBondContact O-N 3.11Å; C267-K269 PolarHBondContact O-N 3.2Å; C267-H280 PolarHBondContact SG-NE2 3.38Å; C267-H284 PolarHBondContact SG-NE2 3.2Å
268	N	87	Confident	85.2	Confident	127 Å²	127	65.2 Å²	65.2	68%	0.679	37%	0.366	S	S	*	.			trans	56.1	5.9	-178.2	-60.5	-24.2	0	0	0	116.6	C264 G270	C264-N268 WeakPolarHBondContact O-CA 3.2Å; C264-N268 PolarHBondContact O-N 3.24Å; N268-G270 PolarHBondContact O-N 3.31Å
269	K	84.9	Confident	85.1	Confident	88 Å²	88	65.5 Å²	65.5	38%	0.383	35%	0.353	S	S	.	.			trans	-59.6	125.3	170.8	-72.4	-166.4	172.7	-159.3	0	111	D198 C264 C267 F271	D198-K269 IonicContact OD1-NZ 2.75Å; C264-K269 PolarHBondContact N-O 3.06Å; C267-K269 PolarHBondContact O-N 3.2Å; K269-F271 HydrophobicContact CB-CE2 3.81Å; K269-F271 HydrophobicContact CB-CZ 3.99Å; K269-F271 WeakPolarHBondContact O-CD2 3.42Å; K269-F271 WeakPolarHBondContact O-CE2 3.24Å
270	G	86.6	Confident	85.2	Confident	13 Å²	13	64.3 Å²	64.3	13%	0.134	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	143.3	173.2	0	0	0	0	0	112.5	R260 N268	R260-G270 VanDerWaalsContact CD-O 3.27Å; R260-G270 WeakPolarHBondContact CD-O 3.4Å; N268-G270 PolarHBondContact O-N 3.31Å
271	F	84.2	Confident	85	Confident	7 Å²	7	66 Å²	66	3%	0.031	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	148.8	177.5	-63.7	-86.9	0	0	0	111.6	R260 P261 F262 C264 K269 Q273 L277 H280	R260-F271 CarbonylContact C-O 3.12Å; R260-F271 WeakPolarHBondContact CA-O 3.45Å; P261-F271 WeakPolarHBondContact CD-O 3.37Å; F262-F271 HydrophobicContact CB-CB 4.29Å; F262-F271 PolarHBondContact N-O 3.43Å; F262-F271 WeakPolarHBondContact O-CD2 3.32Å; F262-F271 PolarHBondContact O-N 2.85Å; C264-F271 HydrophobicContact CB-CE2 4.21Å; K269-F271 HydrophobicContact CB-CE2 3.81Å; K269-F271 HydrophobicContact CB-CZ 3.99Å; K269-F271 WeakPolarHBondContact O-CD2 3.42Å; K269-F271 WeakPolarHBondContact O-CE2 3.24Å; F271-Q273 VanDerWaalsContact C-N 3.3Å; F271-Q273 PolarHBondContact O-N 3.37Å; F271-L277 HydrophobicContact CB-CB 4.18Å; F271-L277 HydrophobicContact CD2-CB 3.99Å; F271-L277 HydrophobicContact CD2-CD1 3.87Å; F271-L277 HydrophobicContact CE2-CD1 4.17Å; F271-L277 HydrophobicContact CG-CB 4.24Å; F271-H280 HydrophobicContact CE1-CB 4.01Å; F271-H280 HydrophobicContact CE2-CB 3.99Å; F271-H280 AromaticContact CE2-CD2 3.36Å; F271-H280 WeakPolarHBondContact CE2-CD2 3.37Å; F271-H280 AromaticContact CE2-CG 3.56Å; F271-H280 AromaticContact CE2-NE2 3.82Å; F271-H280 HydrophobicContact CZ-CB 3.61Å; F271-H280 AromaticContact CZ-CD2 3.54Å; F271-H280 AromaticContact CZ-CE1 3.88Å; F271-H280 AromaticContact CZ-CG 3.23Å; F271-H280 AromaticContact CZ-ND1 3.48Å; F271-H280 WeakPolarHBondContact CZ-ND1 3.03Å; F271-H280 AromaticContact CZ-NE2 3.92Å
272	R	85.8	Confident	84.8	Confident	64 Å²	64	64 Å²	64	24%	0.242	33%	0.334	C	S	.	.	S	Bend	trans	-72.4	-16.5	176.5	-69.9	175.8	169.6	120.7	-18	114.2	D197 P254 I255 R260	D197-R272 VanDerWaalsContact CG-NH1 3.31Å; D197-R272 IonicContact OD1-NH1 2.83Å; D197-R272 PolarHBondContact OD1-NH1 3.08Å; D197-R272 VanDerWaalsContact OD1-NH1 3.14Å; D197-R272 WeakPolarHBondContact OD2-CD 3.11Å; D197-R272 IonicContact OD2-CZ 3.69Å; D197-R272 IonicContact OD2-NE 3.32Å; D197-R272 IonicContact OD2-NH1 3.69Å; D197-R272 PolarHBondContact OD2-NH1 3.25Å; P254-R272 HydrophobicContact CB-CB 4.1Å; P254-R272 HydrophobicContact CB-CG 3.99Å; P254-R272 PolarHBondContact O-NE 2.93Å; I255-R272 PolarHBondContact O-NH2 2.95Å; I255-R272 VanDerWaalsContact O-NH2 3.13Å; R260-R272 HydrophobicContact CG-CG 4.23Å
273	Q	84.4	Confident	84.5	Confident	61 Å²	61	64.8 Å²	64.8	29%	0.285	34%	0.34	S	S	.	.	S	Bend	trans	-141.9	146.9	-176.3	-58.3	-178.8	11.9	0	0	112.2	R251 F262 F271 S275 T276 L277	R251-Q273 HydrophobicContact CG-CG 4.15Å; F262-Q273 VanDerWaalsContact CD2-CA 3.48Å; F271-Q273 VanDerWaalsContact C-N 3.3Å; F271-Q273 PolarHBondContact O-N 3.37Å; Q273-S275 VanDerWaalsContact C-N 3.27Å; Q273-S275 PolarHBondContact O-N 3.35Å; Q273-S275 PolarHBondContact OE1-OG 3.45Å; Q273-T276 HydrophobicContact CB-CG2 4.49Å; Q273-T276 PolarHBondContact O-N 2.74Å; Q273-T276 PolarHBondContact O-OG1 2.81Å; Q273-L277 PolarHBondContact O-N 2.99Å; Q273-L277 VanDerWaalsContact O-N 3.15Å
274	A	84.2	Confident	84.2	Confident	50 Å²	50	63.6 Å²	63.6	41%	0.413	33%	0.333	S	S	.	.	H	α-helix	trans	-60.9	-37.1	175.3	0	0	0	0	0	112.5	F262 L277 C278	F262-A274 HydrophobicContact CD1-CB 3.8Å; F262-A274 HydrophobicContact CE1-CB 3.64Å; F262-A274 HydrophobicContact CG-CB 4.37Å; F262-A274 HydrophobicContact CZ-CB 4.08Å; A274-L277 PolarHBondContact O-N 3.02Å; A274-C278 WeakPolarHBondContact O-CB 3.18Å; A274-C278 PolarHBondContact O-N 3.05Å
275	S	82.9	Confident	83.7	Confident	64 Å²	64	67.1 Å²	67.1	45%	0.448	35%	0.354	S	S	.	.	H	α-helix	trans	-64.1	-39.4	178.5	56.5	0	0	0	0	112.9	Q273 C278 R279	Q273-S275 VanDerWaalsContact C-N 3.27Å; Q273-S275 PolarHBondContact O-N 3.35Å; Q273-S275 PolarHBondContact OE1-OG 3.45Å; S275-C278 PolarHBondContact O-N 3.4Å; S275-R279 WeakPolarHBondContact O-CB 3.36Å; S275-R279 PolarHBondContact O-N 2.87Å
276	T	83	Confident	83	Confident	22 Å²	22	61.9 Å²	61.9	14%	0.135	34%	0.343	C	S	.	.	H	α-helix	trans	-75.2	-37	177.2	54.1	0	0	0	0	111.6	Q273 R279 H280	Q273-T276 HydrophobicContact CB-CG2 4.49Å; Q273-T276 PolarHBondContact O-N 2.74Å; Q273-T276 PolarHBondContact O-OG1 2.81Å; T276-R279 PolarHBondContact O-N 2.89Å; T276-H280 VanDerWaalsContact O-CB 3.25Å; T276-H280 WeakPolarHBondContact O-CB 3.38Å; T276-H280 PolarHBondContact O-N 3.07Å
277	L	86.7	Confident	82.3	Confident	18 Å²	18	62.6 Å²	62.6	9%	0.094	34%	0.339	C	S	.	.	H	α-helix	trans	-59	-45.1	167.3	171.2	61.3	0	0	0	111.6	F262 C264 F271 Q273 A274 H280 K281	F262-L277 HydrophobicContact CB-CB 3.93Å; F262-L277 HydrophobicContact CB-CD2 3.81Å; F262-L277 HydrophobicContact CB-CG 4.48Å; C264-L277 HydrophobicContact CB-CD1 3.6Å; F271-L277 HydrophobicContact CB-CB 4.18Å; F271-L277 HydrophobicContact CD2-CB 3.99Å; F271-L277 HydrophobicContact CD2-CD1 3.87Å; F271-L277 HydrophobicContact CE2-CD1 4.17Å; F271-L277 HydrophobicContact CG-CB 4.24Å; Q273-L277 PolarHBondContact O-N 2.99Å; Q273-L277 VanDerWaalsContact O-N 3.15Å; A274-L277 PolarHBondContact O-N 3.02Å; L277-H280 WeakPolarHBondContact O-CB 3.49Å; L277-H280 PolarHBondContact O-N 2.71Å; L277-K281 HydrophobicContact CD1-CG 4.42Å; L277-K281 WeakPolarHBondContact O-CG 3.09Å; L277-K281 PolarHBondContact O-N 3.24Å
278	C	83.7	Confident	81.9	Confident	66 Å²	66	65.9 Å²	65.9	45%	0.446	35%	0.348	S	S	.	.	H	α-helix	trans	-61	-48.2	179.3	-166.2	0	0	0	0	111.2	A274 S275 H280 K281	A274-C278 WeakPolarHBondContact O-CB 3.18Å; A274-C278 PolarHBondContact O-N 3.05Å; S275-C278 PolarHBondContact O-N 3.4Å; C278-H280 VanDerWaalsContact C-N 3.28Å; C278-H280 PolarHBondContact O-N 2.77Å; C278-K281 WeakPolarHBondContact O-CB 3.46Å; C278-K281 PolarHBondContact O-N 3Å
279	R	80.7	Confident	81.5	Confident	53 Å²	53	64 Å²	64	20%	0.2	34%	0.342	C	S	.	.	H	α-helix	trans	-59	-37.3	173.7	-177.5	168.1	74.4	-142.6	10.6	113	N194 D196 S275 T276 I282	N194-R279 VanDerWaalsContact OD1-CZ 3.28Å; N194-R279 PolarHBondContact OD1-NH1 3.22Å; N194-R279 PolarHBondContact OD1-NH2 3.4Å; N194-R279 VanDerWaalsContact OD1-NH2 3.08Å; D196-R279 IonicContact OD1-CZ 2.75Å; D196-R279 IonicContact OD1-NE 3.24Å; D196-R279 PolarHBondContact OD1-NE 3.41Å; D196-R279 IonicContact OD1-NH2 2.92Å; D196-R279 PolarHBondContact OD1-NH2 3Å; S275-R279 WeakPolarHBondContact O-CB 3.36Å; S275-R279 PolarHBondContact O-N 2.87Å; T276-R279 PolarHBondContact O-N 2.89Å; R279-I282 WeakPolarHBondContact O-CB 3.37Å
280	H	84.2	Confident	81.2	Confident	15 Å²	15	62.9 Å²	62.9	7%	0.069	34%	0.338	C	S	.	.	H	α-helix	trans	-68.6	-36.6	177.4	164.4	78.1	0	0	0	112.7	C264 C267 F271 T276 L277 C278 I282 I283 H284	C264-H280 WeakPolarHBondContact CB-NE2 3.36Å; C264-H280 VanDerWaalsContact SG-CD2 3.54Å; C264-H280 PolarHBondContact SG-NE2 3.49Å; C267-H280 PolarHBondContact SG-NE2 3.38Å; F271-H280 HydrophobicContact CE1-CB 4.01Å; F271-H280 HydrophobicContact CE2-CB 3.99Å; F271-H280 AromaticContact CE2-CD2 3.36Å; F271-H280 WeakPolarHBondContact CE2-CD2 3.37Å; F271-H280 AromaticContact CE2-CG 3.56Å; F271-H280 AromaticContact CE2-NE2 3.82Å; F271-H280 HydrophobicContact CZ-CB 3.61Å; F271-H280 AromaticContact CZ-CD2 3.54Å; F271-H280 AromaticContact CZ-CE1 3.88Å; F271-H280 AromaticContact CZ-CG 3.23Å; F271-H280 AromaticContact CZ-ND1 3.48Å; F271-H280 WeakPolarHBondContact CZ-ND1 3.03Å; F271-H280 AromaticContact CZ-NE2 3.92Å; T276-H280 VanDerWaalsContact O-CB 3.25Å; T276-H280 WeakPolarHBondContact O-CB 3.38Å; T276-H280 PolarHBondContact O-N 3.07Å; L277-H280 WeakPolarHBondContact O-CB 3.49Å; L277-H280 PolarHBondContact O-N 2.71Å; C278-H280 VanDerWaalsContact C-N 3.28Å; C278-H280 PolarHBondContact O-N 2.77Å; H280-I282 PolarHBondContact O-N 2.99Å; H280-I282 VanDerWaalsContact O-N 3.13Å; H280-I283 VanDerWaalsContact O-CB 3.25Å; H280-I283 WeakPolarHBondContact O-CB 3.42Å; H280-I283 WeakPolarHBondContact O-CG1 3.48Å; H280-I283 PolarHBondContact O-N 3.21Å; H280-H284 AromaticContact CE1-NE2 3.64Å; H280-H284 AromaticContact NE2-CD2 3.76Å; H280-H284 AromaticContact NE2-NE2 3.22Å; H280-H284 PolarHBondContact NE2-NE2 3.32Å
281	K	82.3	Confident	80.8	Confident	113 Å²	113	67.3 Å²	67.3	49%	0.491	36%	0.358	S	S	.	.	H	α-helix	trans	-56	-30.6	177.1	-72.4	172.9	-177.2	175.2	0	113.4	L277 C278 I283 H284 T285	L277-K281 HydrophobicContact CD1-CG 4.42Å; L277-K281 WeakPolarHBondContact O-CG 3.09Å; L277-K281 PolarHBondContact O-N 3.24Å; C278-K281 WeakPolarHBondContact O-CB 3.46Å; C278-K281 PolarHBondContact O-N 3Å; K281-I283 PolarHBondContact O-N 3.26Å; K281-H284 WeakPolarHBondContact O-CB 3.28Å; K281-H284 PolarHBondContact O-N 3.23Å; K281-T285 PolarHBondContact O-N 3.21Å
282	I	80.4	Confident	80.6	Confident	45 Å²	45	67 Å²	67	23%	0.231	36%	0.357	C	S	.	.	H	α-helix	trans	-58.5	-29.6	175.8	-53.1	174.3	0	0	0	111.6	R279 H280 H284 T285 S286 E287 N300	R279-I282 WeakPolarHBondContact O-CB 3.37Å; H280-I282 PolarHBondContact O-N 2.99Å; H280-I282 VanDerWaalsContact O-N 3.13Å; I282-H284 VanDerWaalsContact C-N 3.28Å; I282-H284 PolarHBondContact O-N 2.91Å; I282-T285 PolarHBondContact O-N 2.9Å; I282-T285 PolarHBondContact O-OG1 3.32Å; I282-S286 PolarHBondContact O-N 2.93Å; I282-E287 HydrophobicContact CG2-CB 4.36Å; I282-E287 VanDerWaalsContact CG2-O 3.23Å; I282-E287 WeakPolarHBondContact CG2-O 3.34Å; I282-N300 HydrophobicContact CG2-CB 4.02Å
283	I	78.1	Confident	80.4	Confident	93 Å²	93	71 Å²	71	48%	0.477	37%	0.372	S	S	.	.	H	α-helix	trans	-66.3	-33.3	175.8	-54.4	175.2	0	0	0	110.8	H280 K281	H280-I283 VanDerWaalsContact O-CB 3.25Å; H280-I283 WeakPolarHBondContact O-CB 3.42Å; H280-I283 WeakPolarHBondContact O-CG1 3.48Å; H280-I283 PolarHBondContact O-N 3.21Å; K281-I283 PolarHBondContact O-N 3.26Å
284	H	81.2	Confident	80	Confident	76 Å²	76	69.8 Å²	69.8	35%	0.352	37%	0.367	S	S	.	.	H	α-helix	trans	-79	-35.1	176.8	-66.3	-57.5	0	0	0	113.2	C264 V266 C267 H280 K281 I282 S286	C264-H284 VanDerWaalsContact SG-CD2 3.57Å; C264-H284 PolarHBondContact SG-NE2 3.4Å; V266-H284 HydrophobicContact CG1-CB 4.27Å; C267-H284 PolarHBondContact SG-NE2 3.2Å; H280-H284 AromaticContact CE1-NE2 3.64Å; H280-H284 AromaticContact NE2-CD2 3.76Å; H280-H284 AromaticContact NE2-NE2 3.22Å; H280-H284 PolarHBondContact NE2-NE2 3.32Å; K281-H284 WeakPolarHBondContact O-CB 3.28Å; K281-H284 PolarHBondContact O-N 3.23Å; I282-H284 VanDerWaalsContact C-N 3.28Å; I282-H284 PolarHBondContact O-N 2.91Å; H284-S286 PolarHBondContact O-N 3.02Å
285	T	76	Confident	79.8	Confident	76 Å²	76	69.5 Å²	69.5	47%	0.466	36%	0.362	S	S	.	.	H	α-helix	trans	-73.1	-15.7	173.1	63.9	0	0	0	0	112.6	K281 I282 E287	K281-T285 PolarHBondContact O-N 3.21Å; I282-T285 PolarHBondContact O-N 2.9Å; I282-T285 PolarHBondContact O-OG1 3.32Å; T285-E287 PolarHBondContact O-N 3.42Å; T285-E287 VanDerWaalsContact O-N 3.14Å; T285-E287 WeakPolarHBondContact OG1-CB 3.4Å; T285-E287 WeakPolarHBondContact OG1-CG 3.33Å; T285-E287 PolarHBondContact OG1-N 3.22Å; T285-E287 PolarHBondContact OG1-OE2 2.94Å
286	S	73.8	Confident	79.7	Confident	91 Å²	91	68.9 Å²	68.9	64%	0.636	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	13.1	-171.2	-63.7	0	0	0	0	114.5	I282 H284	I282-S286 PolarHBondContact O-N 2.93Å; H284-S286 PolarHBondContact O-N 3.02Å
287	E	71.2	Confident	79.5	Confident	120 Å²	120	73.9 Å²	73.9	56%	0.561	39%	0.385	S	S	*	.			trans	-69.7	143.7	-179.6	-71.6	167.2	161.7	0	0	111.4	I282 T285	I282-E287 HydrophobicContact CG2-CB 4.36Å; I282-E287 VanDerWaalsContact CG2-O 3.23Å; I282-E287 WeakPolarHBondContact CG2-O 3.34Å; T285-E287 PolarHBondContact O-N 3.42Å; T285-E287 VanDerWaalsContact O-N 3.14Å; T285-E287 WeakPolarHBondContact OG1-CB 3.4Å; T285-E287 WeakPolarHBondContact OG1-CG 3.33Å; T285-E287 PolarHBondContact OG1-N 3.22Å; T285-E287 PolarHBondContact OG1-OE2 2.94Å
288	K	78.4	Confident	79.1	Confident	122 Å²	122	74.9 Å²	74.9	53%	0.53	40%	0.396	S	S	.	.			trans	-136.7	67.3	-176.3	-65.3	179.6	-171.3	175.8	0	110	H290 A298 F299	K288-H290 PolarHBondContact O-N 2.96Å; K288-H290 VanDerWaalsContact O-N 3.08Å; K288-A298 HydrophobicContact CB-CB 3.5Å; K288-A298 VanDerWaalsContact CB-CB 3.5Å; K288-A298 HydrophobicContact CD-CB 4.18Å; K288-A298 HydrophobicContact CG-CB 4.47Å; K288-F299 CarbonylContact C-O 3.01Å; K288-F299 VanDerWaalsContact CA-O 3.27Å; K288-F299 WeakPolarHBondContact CA-O 3.43Å
289	P	78.1	Confident	78.8	Confident	87 Å²	87	73.8 Å²	73.8	57%	0.565	38%	0.383	S	S	*	.			trans	-64.4	-15.4	-169.8	24.4	-34	0	0	0	114.5
290	H	80.2	Confident	78.8	Confident	64 Å²	64	73.9 Å²	73.9	30%	0.296	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	91	-176.7	-55	-73.4	0	0	0	111	K288 F299 R301 S302 L305	K288-H290 PolarHBondContact O-N 2.96Å; K288-H290 VanDerWaalsContact O-N 3.08Å; H290-F299 HydrophobicContact CB-CB 4.31Å; H290-F299 WeakPolarHBondContact CB-O 3.26Å; H290-F299 PolarHBondContact N-O 3.38Å; H290-F299 WeakPolarHBondContact O-CB 3.39Å; H290-F299 PolarHBondContact O-N 3.41Å; H290-R301 VanDerWaalsContact CD2-CA 3.41Å; H290-R301 WeakPolarHBondContact CD2-CA 3.26Å; H290-R301 PolarHBondContact CD2-N 3.38Å; H290-S302 PolarHBondContact CD2-N 3.24Å; H290-S302 PolarHBondContact NE2-N 3.06Å; H290-L305 HydrophobicContact CB-CB 3.94Å; H290-L305 HydrophobicContact CB-CD2 3.78Å; H290-L305 HydrophobicContact CB-CG 4.47Å
291	I	78	Confident	78.6	Confident	107 Å²	107	75 Å²	75	55%	0.549	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	135.2	-177.7	-53.6	178.8	0	0	0	111.5	W293 A298	I291-W293 PolarHBondContact O-N 2.96Å; I291-A298 HydrophobicContact CG1-CB 4.04Å
292	C	80.2	Confident	78.6	Confident	1 Å²	1	73.1 Å²	73.1	1%	0.007	39%	0.393	C	S	.	.			trans	-82.8	109.6	172	-167	0	0	0	0	111.6	I294 C295 G296 K297 F299 L305 H312	C292-I294 PolarHBondContact O-N 3.35Å; C292-I294 VanDerWaalsContact O-N 3.08Å; C292-C295 PolarHBondContact O-N 3.35Å; C292-G296 WeakPolarHBondContact O-CA 3.5Å; C292-G296 PolarHBondContact O-N 3.4Å; C292-K297 WeakPolarHBondContact CB-O 3.45Å; C292-K297 PolarHBondContact N-O 3.35Å; C292-F299 HydrophobicContact CB-CE2 4.25Å; C292-L305 HydrophobicContact CB-CD1 3.5Å; C292-H312 VanDerWaalsContact SG-CD2 3.58Å; C292-H312 PolarHBondContact SG-NE2 2.9Å; C292-H312 VanDerWaalsContact SG-NE2 3.37Å
293	W	81.3	Confident	78.6	Confident	146 Å²	146	73.6 Å²	73.6	55%	0.553	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-15.2	179.8	66.1	-91.1	0	0	0	115.1	I291 Q583 P593	I291-W293 PolarHBondContact O-N 2.96Å; W293-Q583 PolarHBondContact O-NE2 3.4Å; W293-Q583 VanDerWaalsContact O-NE2 3.1Å; W293-P593 HydrophobicContact CZ3-CG 4.41Å
294	I	76	Confident	78.9	Confident	37 Å²	37	71.2 Å²	71.2	19%	0.19	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-16.6	-178.6	-53.6	173.7	0	0	0	112.3	C292 H312 Q583	C292-I294 PolarHBondContact O-N 3.35Å; C292-I294 VanDerWaalsContact O-N 3.08Å; I294-H312 HydrophobicContact CB-CB 4.46Å; I294-H312 HydrophobicContact CD1-CB 3.62Å; I294-H312 HydrophobicContact CG2-CB 3.96Å; I294-Q583 PolarHBondContact O-OE1 2.75Å
295	C	80.2	Confident	79.1	Confident	44 Å²	44	69.3 Å²	69.3	30%	0.297	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155.8	13.1	-174.7	69.3	0	0	0	0	115.8	C292 K297 H308 H312	C292-C295 PolarHBondContact O-N 3.35Å; C295-K297 PolarHBondContact O-N 2.93Å; C295-H308 PolarHBondContact SG-NE2 2.92Å; C295-H312 VanDerWaalsContact SG-CE1 3.59Å; C295-H312 PolarHBondContact SG-NE2 2.92Å; C295-H312 VanDerWaalsContact SG-NE2 3.38Å
296	G	80.9	Confident	79.4	Confident	50 Å²	50	69.8 Å²	69.8	52%	0.515	38%	0.382	S	S	.	.			trans	66	-7.1	-178.5	0	0	0	0	0	116.4	C292 A298	C292-G296 WeakPolarHBondContact O-CA 3.5Å; C292-G296 PolarHBondContact O-N 3.4Å; G296-A298 PolarHBondContact O-N 3.36Å
297	K	77.6	Confident	79.7	Confident	128 Å²	128	66.5 Å²	66.5	56%	0.557	36%	0.358	S	S	*	.			trans	-65.3	120.1	-175.8	-70.7	-175.8	180	-178.6	0	111.1	C292 C295 F299	C292-K297 WeakPolarHBondContact CB-O 3.45Å; C292-K297 PolarHBondContact N-O 3.35Å; C295-K297 PolarHBondContact O-N 2.93Å; K297-F299 HydrophobicContact CB-CE2 3.73Å; K297-F299 HydrophobicContact CB-CZ 4.03Å; K297-F299 VanDerWaalsContact O-CD2 3.28Å; K297-F299 WeakPolarHBondContact O-CD2 3.42Å; K297-F299 WeakPolarHBondContact O-CE2 3.2Å
298	A	77.8	Confident	80.3	Confident	39 Å²	39	61.9 Å²	61.9	32%	0.322	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	141	178.6	0	0	0	0	0	111.6	K288 I291 G296	K288-A298 HydrophobicContact CB-CB 3.5Å; K288-A298 VanDerWaalsContact CB-CB 3.5Å; K288-A298 HydrophobicContact CD-CB 4.18Å; K288-A298 HydrophobicContact CG-CB 4.47Å; I291-A298 HydrophobicContact CG1-CB 4.04Å; G296-A298 PolarHBondContact O-N 3.36Å
299	F	78.2	Confident	80.4	Confident	42 Å²	42	57.2 Å²	57.2	18%	0.184	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	149.1	-178.1	-62.9	-91.3	0	0	0	111.5	K288 H290 C292 K297 R301 L305 H308	K288-F299 CarbonylContact C-O 3.01Å; K288-F299 VanDerWaalsContact CA-O 3.27Å; K288-F299 WeakPolarHBondContact CA-O 3.43Å; H290-F299 HydrophobicContact CB-CB 4.31Å; H290-F299 WeakPolarHBondContact CB-O 3.26Å; H290-F299 PolarHBondContact N-O 3.38Å; H290-F299 WeakPolarHBondContact O-CB 3.39Å; H290-F299 PolarHBondContact O-N 3.41Å; C292-F299 HydrophobicContact CB-CE2 4.25Å; K297-F299 HydrophobicContact CB-CE2 3.73Å; K297-F299 HydrophobicContact CB-CZ 4.03Å; K297-F299 VanDerWaalsContact O-CD2 3.28Å; K297-F299 WeakPolarHBondContact O-CD2 3.42Å; K297-F299 WeakPolarHBondContact O-CE2 3.2Å; F299-R301 VanDerWaalsContact C-N 3.31Å; F299-L305 HydrophobicContact CB-CB 4.26Å; F299-L305 HydrophobicContact CD2-CB 4.08Å; F299-L305 HydrophobicContact CD2-CD1 3.95Å; F299-L305 HydrophobicContact CE2-CD1 4.22Å; F299-L305 HydrophobicContact CG-CB 4.31Å; F299-H308 HydrophobicContact CE1-CB 4.06Å; F299-H308 HydrophobicContact CE2-CB 4.06Å; F299-H308 AromaticContact CE2-CD2 3.3Å; F299-H308 WeakPolarHBondContact CE2-CD2 3.33Å; F299-H308 AromaticContact CE2-CG 3.74Å; F299-H308 HydrophobicContact CZ-CB 3.6Å; F299-H308 AromaticContact CZ-CD2 3.35Å; F299-H308 WeakPolarHBondContact CZ-CD2 3.4Å; F299-H308 AromaticContact CZ-CG 3.31Å; F299-H308 AromaticContact CZ-ND1 3.94Å; F299-H308 AromaticContact CZ-NE2 3.98Å
300	N	80.4	Confident	80.8	Confident	56 Å²	56	54.3 Å²	54.3	30%	0.299	30%	0.297	S	S	.	.	S	Bend	trans	-80.1	-7.3	177.3	64.7	-14.2	0	0	0	113.9	I282	I282-N300 HydrophobicContact CG2-CB 4.02Å
301	R	80.5	Confident	80.8	Confident	38 Å²	38	54.6 Å²	54.6	14%	0.143	30%	0.3	C	S	.	.	S	Bend	trans	-143.1	144.4	-178.8	-63.1	164.3	69.8	163.2	4.1	111.6	N194 D196 H290 F299 S303 T304 L305	N194-R301 PolarHBondContact OD1-NH2 3.19Å; D196-R301 VanDerWaalsContact CG-NH1 3.27Å; D196-R301 IonicContact OD1-CZ 3.13Å; D196-R301 IonicContact OD1-NH1 2.61Å; D196-R301 PolarHBondContact OD1-NH1 2.93Å; D196-R301 VanDerWaalsContact OD1-NH1 3.1Å; D196-R301 IonicContact OD2-CZ 3.67Å; D196-R301 IonicContact OD2-NH1 2.85Å; D196-R301 PolarHBondContact OD2-NH1 3.15Å; D196-R301 IonicContact OD2-NH2 2.97Å; H290-R301 VanDerWaalsContact CD2-CA 3.41Å; H290-R301 WeakPolarHBondContact CD2-CA 3.26Å; H290-R301 PolarHBondContact CD2-N 3.38Å; F299-R301 VanDerWaalsContact C-N 3.31Å; R301-S303 VanDerWaalsContact C-N 3.3Å; R301-S303 PolarHBondContact O-N 2.75Å; R301-T304 HydrophobicContact CB-CG2 4.35Å; R301-T304 PolarHBondContact O-N 3.1Å; R301-T304 PolarHBondContact O-OG1 3.31Å; R301-L305 PolarHBondContact O-N 3.18Å; R301-L305 VanDerWaalsContact O-N 3.13Å
302	S	81.2	Confident	80.9	Confident	74 Å²	74	51.4 Å²	51.4	52%	0.517	28%	0.282	S	S	.	.	H	α-helix	trans	-62	-36	174.6	55.1	0	0	0	0	112.6	H290 L305 N306	H290-S302 PolarHBondContact CD2-N 3.24Å; H290-S302 PolarHBondContact NE2-N 3.06Å; S302-L305 PolarHBondContact O-N 3.35Å; S302-N306 WeakPolarHBondContact O-CB 3.35Å; S302-N306 PolarHBondContact O-N 3.01Å
303	S	82	Confident	80.8	Confident	55 Å²	55	57 Å²	57	39%	0.385	31%	0.308	S	S	.	.	H	α-helix	trans	-70.3	-32.5	178.1	60.6	0	0	0	0	113.7	R301 N306 T307	R301-S303 VanDerWaalsContact C-N 3.3Å; R301-S303 PolarHBondContact O-N 2.75Å; S303-N306 PolarHBondContact O-N 2.97Å; S303-T307 WeakPolarHBondContact O-CG2 3.24Å; S303-T307 PolarHBondContact O-N 3.22Å; S303-T307 PolarHBondContact O-OG1 2.87Å
304	T	83.7	Confident	80.7	Confident	43 Å²	43	52.2 Å²	52.2	26%	0.264	31%	0.305	S	S	.	.	H	α-helix	trans	-75.4	-35	173.9	55.3	0	0	0	0	111.1	R301 T307 H308	R301-T304 HydrophobicContact CB-CG2 4.35Å; R301-T304 PolarHBondContact O-N 3.1Å; R301-T304 PolarHBondContact O-OG1 3.31Å; T304-T307 PolarHBondContact O-OG1 2.93Å; T304-H308 WeakPolarHBondContact O-CB 3.38Å; T304-H308 PolarHBondContact O-N 3.08Å
305	L	84.9	Confident	80.9	Confident	36 Å²	36	56.9 Å²	56.9	19%	0.188	32%	0.321	C	S	.	.	H	α-helix	trans	-61.7	-44.3	166.5	172.9	61	0	0	0	112.3	H290 C292 F299 R301 S302 H308 S309	H290-L305 HydrophobicContact CB-CB 3.94Å; H290-L305 HydrophobicContact CB-CD2 3.78Å; H290-L305 HydrophobicContact CB-CG 4.47Å; C292-L305 HydrophobicContact CB-CD1 3.5Å; F299-L305 HydrophobicContact CB-CB 4.26Å; F299-L305 HydrophobicContact CD2-CB 4.08Å; F299-L305 HydrophobicContact CD2-CD1 3.95Å; F299-L305 HydrophobicContact CE2-CD1 4.22Å; F299-L305 HydrophobicContact CG-CB 4.31Å; R301-L305 PolarHBondContact O-N 3.18Å; R301-L305 VanDerWaalsContact O-N 3.13Å; S302-L305 PolarHBondContact O-N 3.35Å; L305-H308 WeakPolarHBondContact O-CB 3.41Å; L305-H308 PolarHBondContact O-N 3.43Å; L305-S309 PolarHBondContact O-N 3.06Å
306	N	82.3	Confident	81.1	Confident	86 Å²	86	58.4 Å²	58.4	46%	0.46	32%	0.322	S	S	.	.	H	α-helix	trans	-65	-50	-179.7	-171.6	2.9	0	0	0	111.5	S302 S303 H308 S309 R310	S302-N306 WeakPolarHBondContact O-CB 3.35Å; S302-N306 PolarHBondContact O-N 3.01Å; S303-N306 PolarHBondContact O-N 2.97Å; N306-H308 PolarHBondContact O-N 3.14Å; N306-S309 PolarHBondContact O-N 3.41Å; N306-S309 PolarHBondContact O-OG 2.85Å; N306-R310 PolarHBondContact O-N 3.4Å
307	T	81.7	Confident	81.2	Confident	22 Å²	22	58.2 Å²	58.2	14%	0.135	31%	0.312	C	S	.	.	H	α-helix	trans	-64.9	-26	175.8	54.7	0	0	0	0	113.2	S303 T304 Q329	S303-T307 WeakPolarHBondContact O-CG2 3.24Å; S303-T307 PolarHBondContact O-N 3.22Å; S303-T307 PolarHBondContact O-OG1 2.87Å; T304-T307 PolarHBondContact O-OG1 2.93Å; T307-Q329 HydrophobicContact CG2-CG 4.33Å; T307-Q329 PolarHBondContact OG1-NE2 3.45Å
308	H	83.2	Confident	81.7	Confident	23 Å²	23	54.2 Å²	54.2	11%	0.106	30%	0.295	C	S	.	.	H	α-helix	trans	-70.8	-41.1	168.3	173.6	57.8	0	0	0	113	C295 F299 T304 L305 N306 R310 I311 H312	C295-H308 PolarHBondContact SG-NE2 2.92Å; F299-H308 HydrophobicContact CE1-CB 4.06Å; F299-H308 HydrophobicContact CE2-CB 4.06Å; F299-H308 AromaticContact CE2-CD2 3.3Å; F299-H308 WeakPolarHBondContact CE2-CD2 3.33Å; F299-H308 AromaticContact CE2-CG 3.74Å; F299-H308 HydrophobicContact CZ-CB 3.6Å; F299-H308 AromaticContact CZ-CD2 3.35Å; F299-H308 WeakPolarHBondContact CZ-CD2 3.4Å; F299-H308 AromaticContact CZ-CG 3.31Å; F299-H308 AromaticContact CZ-ND1 3.94Å; F299-H308 AromaticContact CZ-NE2 3.98Å; T304-H308 WeakPolarHBondContact O-CB 3.38Å; T304-H308 PolarHBondContact O-N 3.08Å; L305-H308 WeakPolarHBondContact O-CB 3.41Å; L305-H308 PolarHBondContact O-N 3.43Å; N306-H308 PolarHBondContact O-N 3.14Å; H308-R310 PolarHBondContact O-N 3.33Å; H308-I311 VanDerWaalsContact O-CB 3.26Å; H308-I311 WeakPolarHBondContact O-CB 3.4Å; H308-I311 WeakPolarHBondContact O-CG1 3.44Å; H308-I311 PolarHBondContact O-N 3.18Å; H308-H312 AromaticContact CD2-NE2 3.83Å; H308-H312 AromaticContact CE1-CE1 3.94Å; H308-H312 AromaticContact CE1-NE2 3.48Å; H308-H312 PolarHBondContact CE1-NE2 3.44Å; H308-H312 AromaticContact NE2-CD2 3.95Å; H308-H312 AromaticContact NE2-CE1 3.81Å; H308-H312 AromaticContact NE2-NE2 3.02Å; H308-H312 PolarHBondContact NE2-NE2 3.26Å
309	S	79.7	Confident	82.2	Confident	23 Å²	23	56.3 Å²	56.3	16%	0.161	30%	0.304	C	S	.	.	H	α-helix	trans	-63.4	-29.5	-177	77.5	0	0	0	0	112.8	L305 N306 I311 H312 Q313	L305-S309 PolarHBondContact O-N 3.06Å; N306-S309 PolarHBondContact O-N 3.41Å; N306-S309 PolarHBondContact O-OG 2.85Å; S309-I311 PolarHBondContact O-N 2.94Å; S309-I311 VanDerWaalsContact O-N 3.17Å; S309-H312 PolarHBondContact O-N 2.9Å; S309-H312 VanDerWaalsContact O-N 3.11Å; S309-Q313 PolarHBondContact O-N 3.16Å
310	R	86.3	Confident	82.7	Confident	26 Å²	26	54.4 Å²	54.4	10%	0.098	30%	0.296	C	S	.	.	H	α-helix	trans	-52.7	-32.1	170	-63.6	-177.5	-174.1	162.5	4.6	113.3	D191 N306 H308 Q313 G314 Y315 H328	D191-R310 IonicContact OD1-CZ 3.92Å; D191-R310 IonicContact OD1-NH1 2.87Å; D191-R310 PolarHBondContact OD1-NH1 3.25Å; D191-R310 IonicContact OD1-NH2 2.72Å; D191-R310 PolarHBondContact OD1-NH2 3.12Å; D191-R310 IonicContact OD2-CZ 3.75Å; D191-R310 IonicContact OD2-NH1 3.86Å; D191-R310 PolarHBondContact OD2-NH1 2.83Å; D191-R310 IonicContact OD2-NH2 2.83Å; N306-R310 PolarHBondContact O-N 3.4Å; H308-R310 PolarHBondContact O-N 3.33Å; R310-Q313 PolarHBondContact O-N 2.8Å; R310-G314 CarbonylContact O-C 3.59Å; R310-G314 PolarHBondContact O-N 3.14Å; R310-Y315 HydrophobicContact CG-CD1 4.19Å; R310-Y315 PolarHBondContact O-N 2.76Å; R310-H328 HydrophobicContact CB-CB 4.4Å; R310-H328 WeakPolarHBondContact CD-O 3.42Å; R310-H328 PolarHBondContact NH1-O 2.87Å; R310-H328 VanDerWaalsContact NH1-O 3.12Å
311	I	81.6	Confident	83	Confident	70 Å²	70	58.1 Å²	58.1	36%	0.359	31%	0.311	S	S	.	.	H	α-helix	trans	-66.2	-43.2	179.5	-55.5	175.4	0	0	0	110.5	H308 S309 Q313 G314	H308-I311 VanDerWaalsContact O-CB 3.26Å; H308-I311 WeakPolarHBondContact O-CB 3.4Å; H308-I311 WeakPolarHBondContact O-CG1 3.44Å; H308-I311 PolarHBondContact O-N 3.18Å; S309-I311 PolarHBondContact O-N 2.94Å; S309-I311 VanDerWaalsContact O-N 3.17Å; I311-Q313 VanDerWaalsContact C-N 3.28Å; I311-Q313 PolarHBondContact O-N 3.03Å; I311-G314 PolarHBondContact O-N 3.23Å; I311-G314 VanDerWaalsContact O-N 3.11Å
312	H	80.1	Confident	83.3	Confident	40 Å²	40	61.1 Å²	61.1	19%	0.185	33%	0.334	C	S	.	.	H	α-helix	trans	-68.4	-28.9	177.3	-58.4	-57.3	0	0	0	112.8	C292 I294 C295 H308 S309 G314	C292-H312 VanDerWaalsContact SG-CD2 3.58Å; C292-H312 PolarHBondContact SG-NE2 2.9Å; C292-H312 VanDerWaalsContact SG-NE2 3.37Å; I294-H312 HydrophobicContact CB-CB 4.46Å; I294-H312 HydrophobicContact CD1-CB 3.62Å; I294-H312 HydrophobicContact CG2-CB 3.96Å; C295-H312 VanDerWaalsContact SG-CE1 3.59Å; C295-H312 PolarHBondContact SG-NE2 2.92Å; C295-H312 VanDerWaalsContact SG-NE2 3.38Å; H308-H312 AromaticContact CD2-NE2 3.83Å; H308-H312 AromaticContact CE1-CE1 3.94Å; H308-H312 AromaticContact CE1-NE2 3.48Å; H308-H312 PolarHBondContact CE1-NE2 3.44Å; H308-H312 AromaticContact NE2-CD2 3.95Å; H308-H312 AromaticContact NE2-CE1 3.81Å; H308-H312 AromaticContact NE2-NE2 3.02Å; H308-H312 PolarHBondContact NE2-NE2 3.26Å; S309-H312 PolarHBondContact O-N 2.9Å; S309-H312 VanDerWaalsContact O-N 3.11Å; H312-G314 VanDerWaalsContact C-N 3.31Å
313	Q	77.5	Confident	83.6	Confident	118 Å²	118	60.3 Å²	60.3	55%	0.551	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-9.9	173.9	-65	174.6	-18	0	0	112.9	S309 R310 I311 Y315	S309-Q313 PolarHBondContact O-N 3.16Å; R310-Q313 PolarHBondContact O-N 2.8Å; I311-Q313 VanDerWaalsContact C-N 3.28Å; I311-Q313 PolarHBondContact O-N 3.03Å; Q313-Y315 PolarHBondContact O-N 2.83Å
314	G	78.9	Confident	83.9	Confident	47 Å²	47	60.5 Å²	60.5	49%	0.485	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.3	12.8	-167.2	0	0	0	0	0	114.1	R310 I311 H312 K316	R310-G314 CarbonylContact O-C 3.59Å; R310-G314 PolarHBondContact O-N 3.14Å; I311-G314 PolarHBondContact O-N 3.23Å; I311-G314 VanDerWaalsContact O-N 3.11Å; H312-G314 VanDerWaalsContact C-N 3.31Å; G314-K316 PolarHBondContact O-N 3.38Å
315	Y	79.2	Confident	84.1	Confident	135 Å²	135	62.4 Å²	62.4	53%	0.529	34%	0.343	S	S	.	.			trans	-78.2	104.5	-168.5	-177.1	-112.9	0	0	0	111	R310 Q313 P317 H328	R310-Y315 HydrophobicContact CG-CD1 4.19Å; R310-Y315 PolarHBondContact O-N 2.76Å; Q313-Y315 PolarHBondContact O-N 2.83Å; Y315-P317 VanDerWaalsContact C-CD 3.43Å; Y315-P317 HydrophobicContact CD1-CG 4.18Å; Y315-P317 HydrophobicContact CE1-CB 3.8Å; Y315-P317 HydrophobicContact CE1-CG 3.83Å; Y315-P317 WeakPolarHBondContact O-CD 3.27Å; Y315-H328 PolarHBondContact O-CD2 3.23Å; Y315-H328 VanDerWaalsContact O-CD2 3.31Å
316	K	85.7	Confident	84.1	Confident	75 Å²	75	61.9 Å²	61.9	33%	0.326	35%	0.345	S	S	.	.			trans	-110.8	74.5	-173.4	-74.7	170.4	173.9	-176.5	0	110.6	G314 F318 G326 F327 H328 D443	G314-K316 PolarHBondContact O-N 3.38Å; K316-F318 PolarHBondContact O-N 3.16Å; K316-F318 VanDerWaalsContact O-N 3.15Å; K316-G326 WeakPolarHBondContact CD-O 3.33Å; K316-F327 CarbonylContact C-O 3.37Å; K316-F327 WeakPolarHBondContact CA-O 3.29Å; K316-H328 WeakPolarHBondContact CE-CE1 3.31Å; K316-H328 WeakPolarHBondContact CE-NE2 3.49Å; K316-H328 WeakPolarHBondContact CG-NE2 3.48Å; K316-D443 IonicContact NZ-OD2 3.02Å; K316-D443 PolarHBondContact NZ-OD2 3.12Å
317	P	83.6	Confident	84.2	Confident	47 Å²	47	59.9 Å²	59.9	31%	0.305	33%	0.333	S	S	.	.			trans	-65.8	-15.1	-171.4	24.9	-34.9	0	0	0	115.2	Y315	Y315-P317 VanDerWaalsContact C-CD 3.43Å; Y315-P317 HydrophobicContact CD1-CG 4.18Å; Y315-P317 HydrophobicContact CE1-CB 3.8Å; Y315-P317 HydrophobicContact CE1-CG 3.83Å; Y315-P317 WeakPolarHBondContact O-CD 3.27Å
318	F	87.7	Confident	84.3	Confident	43 Å²	43	60.3 Å²	60.3	19%	0.189	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	97.3	179.6	-53.3	-77.1	0	0	0	110.5	K316 G326 F327 Q329 K330 Y333	K316-F318 PolarHBondContact O-N 3.16Å; K316-F318 VanDerWaalsContact O-N 3.15Å; F318-G326 CarbonylContact O-C 3.59Å; F318-G326 WeakPolarHBondContact O-CA 3.47Å; F318-F327 HydrophobicContact CB-CB 4.41Å; F318-F327 PolarHBondContact N-O 3.37Å; F318-F327 WeakPolarHBondContact O-CD2 3.26Å; F318-F327 PolarHBondContact O-N 2.96Å; F318-Q329 VanDerWaalsContact CD2-C 3.43Å; F318-K330 HydrophobicContact CD1-CB 4.34Å; F318-K330 HydrophobicContact CD1-CG 4.29Å; F318-K330 HydrophobicContact CD2-CB 4.39Å; F318-K330 HydrophobicContact CE1-CB 3.86Å; F318-K330 HydrophobicContact CE1-CD 4.19Å; F318-K330 HydrophobicContact CE1-CG 3.87Å; F318-K330 HydrophobicContact CE2-CB 3.93Å; F318-K330 VanDerWaalsContact CE2-N 3.25Å; F318-K330 HydrophobicContact CZ-CB 3.64Å; F318-K330 HydrophobicContact CZ-CD 4.44Å; F318-K330 HydrophobicContact CZ-CG 4.16Å; F318-Y333 HydrophobicContact CB-CD1 4.29Å; F318-Y333 HydrophobicContact CB-CD2 3.84Å; F318-Y333 HydrophobicContact CB-CG 3.66Å; F318-Y333 HydrophobicContact CG-CG 4.49Å
319	T	86.8	Confident	84.4	Confident	84 Å²	84	63 Å²	63	52%	0.515	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	128.1	179	47.5	0	0	0	0	112	E321 Y333	T319-E321 PolarHBondContact O-N 3.17Å; T319-Y333 WeakPolarHBondContact O-CE2 3.14Å
320	C	88.9	Confident	84.7	Confident	1 Å²	1	66.8 Å²	66.8	1%	0.007	36%	0.359	C	S	.	.			trans	-72.4	116.5	175.5	-177.6	0	0	0	0	111.7	V322 C323 G324 K325 H340	C320-V322 VanDerWaalsContact C-N 3.25Å; C320-V322 PolarHBondContact O-N 3.12Å; C320-C323 PolarHBondContact O-N 3.12Å; C320-G324 WeakPolarHBondContact O-CA 3.26Å; C320-G324 PolarHBondContact O-N 2.78Å; C320-K325 PolarHBondContact N-O 3.41Å; C320-H340 VanDerWaalsContact SG-CD2 3.57Å; C320-H340 PolarHBondContact SG-NE2 3.33Å
321	E	87.3	Confident	84.5	Confident	134 Å²	134	67.6 Å²	67.6	63%	0.626	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-35.1	178.6	-54.1	101.4	-95.4	0	0	113.2	T319 C323 Y333 K337	T319-E321 PolarHBondContact O-N 3.17Å; E321-C323 PolarHBondContact O-N 2.88Å; E321-Y333 PolarHBondContact OE1-OH 3.46Å; E321-K337 VanDerWaalsContact CD-NZ 3.32Å; E321-K337 VanDerWaalsContact OE1-CE 3.25Å; E321-K337 WeakPolarHBondContact OE1-CE 3.4Å; E321-K337 IonicContact OE1-NZ 2.65Å; E321-K337 PolarHBondContact OE1-NZ 2.79Å; E321-K337 IonicContact OE2-NZ 2.85Å; E321-K337 PolarHBondContact OE2-NZ 2.91Å
322	V	86.8	Confident	84.7	Confident	102 Å²	102	68 Å²	68	62%	0.618	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-26.8	-174.6	-173.9	0	0	0	0	113.4	C320 H340	C320-V322 VanDerWaalsContact C-N 3.25Å; C320-V322 PolarHBondContact O-N 3.12Å; V322-H340 HydrophobicContact CG1-CB 4.21Å; V322-H340 HydrophobicContact CG2-CB 4.44Å
323	C	88.9	Confident	85.1	Confident	56 Å²	56	68 Å²	68	38%	0.378	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.6	10.8	-174.5	72.6	0	0	0	0	116	C320 E321 K325 H336 H340	C320-C323 PolarHBondContact O-N 3.12Å; E321-C323 PolarHBondContact O-N 2.88Å; C323-K325 PolarHBondContact O-N 3.33Å; C323-K325 VanDerWaalsContact O-N 3.08Å; C323-H336 PolarHBondContact SG-NE2 3.31Å; C323-H340 PolarHBondContact SG-CE1 2.99Å; C323-H340 PolarHBondContact SG-NE2 3.25Å
324	G	87.8	Confident	85.5	Confident	59 Å²	59	69.4 Å²	69.4	61%	0.608	38%	0.382	S	S	*	.			trans	70.4	-3.7	177.4	0	0	0	0	0	116.3	C320 G326	C320-G324 WeakPolarHBondContact O-CA 3.26Å; C320-G324 PolarHBondContact O-N 2.78Å; G324-G326 PolarHBondContact O-N 3.18Å
325	K	86.6	Confident	85.7	Confident	84 Å²	84	70 Å²	70	37%	0.365	37%	0.374	S	S	.	.			trans	-68.2	123	-175.5	-71.2	179.2	179.8	175.6	0	112	C320 C323 F327 H438	C320-K325 PolarHBondContact N-O 3.41Å; C323-K325 PolarHBondContact O-N 3.33Å; C323-K325 VanDerWaalsContact O-N 3.08Å; K325-F327 HydrophobicContact CB-CE2 3.81Å; K325-F327 HydrophobicContact CB-CZ 4.08Å; K325-F327 WeakPolarHBondContact O-CD2 3.33Å; K325-F327 WeakPolarHBondContact O-CE2 3.46Å; K325-H438 PolarHBondContact NZ-CE1 3.21Å; K325-H438 PolarHBondContact NZ-NE2 3Å
326	G	85.9	Confident	86.1	Confident	24 Å²	24	64.8 Å²	64.8	25%	0.247	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	142.2	177.4	0	0	0	0	0	114	K316 F318 G324	K316-G326 WeakPolarHBondContact CD-O 3.33Å; F318-G326 CarbonylContact O-C 3.59Å; F318-G326 WeakPolarHBondContact O-CA 3.47Å; G324-G326 PolarHBondContact O-N 3.18Å
327	F	84.5	Confident	86.1	Confident	45 Å²	45	64.9 Å²	64.9	20%	0.197	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	143.5	-178.5	-60.2	-93.4	0	0	0	111.6	K316 F318 K325 Q329 N332 Y333 H336	K316-F327 CarbonylContact C-O 3.37Å; K316-F327 WeakPolarHBondContact CA-O 3.29Å; F318-F327 HydrophobicContact CB-CB 4.41Å; F318-F327 PolarHBondContact N-O 3.37Å; F318-F327 WeakPolarHBondContact O-CD2 3.26Å; F318-F327 PolarHBondContact O-N 2.96Å; K325-F327 HydrophobicContact CB-CE2 3.81Å; K325-F327 HydrophobicContact CB-CZ 4.08Å; K325-F327 WeakPolarHBondContact O-CD2 3.33Å; K325-F327 WeakPolarHBondContact O-CE2 3.46Å; F327-Q329 VanDerWaalsContact C-N 3.32Å; F327-Q329 PolarHBondContact O-N 3.45Å; F327-N332 HydrophobicContact CD1-CB 4Å; F327-Y333 HydrophobicContact CD2-CD2 4.39Å; F327-H336 HydrophobicContact CE1-CB 4.03Å; F327-H336 HydrophobicContact CE2-CB 3.96Å; F327-H336 AromaticContact CE2-CD2 3.25Å; F327-H336 WeakPolarHBondContact CE2-CD2 3.31Å; F327-H336 AromaticContact CE2-CG 3.74Å; F327-H336 HydrophobicContact CZ-CB 3.52Å; F327-H336 AromaticContact CZ-CD2 3.3Å; F327-H336 WeakPolarHBondContact CZ-CD2 3.32Å; F327-H336 AromaticContact CZ-CG 3.33Å
328	H	84.3	Confident	86.2	Confident	31 Å²	31	65.5 Å²	65.5	14%	0.144	36%	0.355	C	S	.	.	S	Bend	trans	-76.1	-15.7	179.1	-49.7	106.6	0	0	0	113.9	R310 Y315 K316	R310-H328 HydrophobicContact CB-CB 4.4Å; R310-H328 WeakPolarHBondContact CD-O 3.42Å; R310-H328 PolarHBondContact NH1-O 2.87Å; R310-H328 VanDerWaalsContact NH1-O 3.12Å; Y315-H328 PolarHBondContact O-CD2 3.23Å; Y315-H328 VanDerWaalsContact O-CD2 3.31Å; K316-H328 WeakPolarHBondContact CE-CE1 3.31Å; K316-H328 WeakPolarHBondContact CE-NE2 3.49Å; K316-H328 WeakPolarHBondContact CG-NE2 3.48Å
329	Q	84.6	Confident	85.9	Confident	78 Å²	78	66.6 Å²	66.6	36%	0.364	37%	0.365	S	S	.	.	S	Bend	trans	-141.9	138.8	-170.6	-71	176.2	-21.6	0	0	112	T307 F318 F327 G331 N332 Y333	T307-Q329 HydrophobicContact CG2-CG 4.33Å; T307-Q329 PolarHBondContact OG1-NE2 3.45Å; F318-Q329 VanDerWaalsContact CD2-C 3.43Å; F327-Q329 VanDerWaalsContact C-N 3.32Å; F327-Q329 PolarHBondContact O-N 3.45Å; Q329-G331 PolarHBondContact O-N 2.78Å; Q329-N332 PolarHBondContact O-N 3.03Å; Q329-N332 PolarHBondContact OE1-ND2 3.26Å; Q329-N332 VanDerWaalsContact OE1-ND2 3.08Å; Q329-Y333 PolarHBondContact O-N 2.65Å
330	K	86.5	Confident	85.8	Confident	103 Å²	103	65.9 Å²	65.9	45%	0.448	36%	0.356	S	S	.	.	H	α-helix	trans	-60.1	-37.7	-176.3	-164.3	173.2	-176.9	176.3	0	113.8	F318 Y333 K334	F318-K330 HydrophobicContact CD1-CB 4.34Å; F318-K330 HydrophobicContact CD1-CG 4.29Å; F318-K330 HydrophobicContact CD2-CB 4.39Å; F318-K330 HydrophobicContact CE1-CB 3.86Å; F318-K330 HydrophobicContact CE1-CD 4.19Å; F318-K330 HydrophobicContact CE1-CG 3.87Å; F318-K330 HydrophobicContact CE2-CB 3.93Å; F318-K330 VanDerWaalsContact CE2-N 3.25Å; F318-K330 HydrophobicContact CZ-CB 3.64Å; F318-K330 HydrophobicContact CZ-CD 4.44Å; F318-K330 HydrophobicContact CZ-CG 4.16Å; K330-Y333 PolarHBondContact O-N 3.15Å; K330-K334 PolarHBondContact O-N 2.87Å
331	G	82.2	Confident	85.3	Confident	43 Å²	43	67.7 Å²	67.7	44%	0.443	37%	0.369	S	S	.	.	H	α-helix	trans	-64	-42.5	178.6	0	0	0	0	0	113.1	Q329 Y333 K334 N335	Q329-G331 PolarHBondContact O-N 2.78Å; G331-Y333 VanDerWaalsContact C-N 3.33Å; G331-Y333 PolarHBondContact O-N 2.94Å; G331-K334 PolarHBondContact O-N 3.35Å; G331-N335 WeakPolarHBondContact O-CB 3.29Å; G331-N335 PolarHBondContact O-N 3.23Å; G331-N335 PolarHBondContact O-ND2 2.86Å
332	N	84.7	Confident	84.7	Confident	78 Å²	78	67.7 Å²	67.7	42%	0.417	38%	0.378	S	S	.	.	H	α-helix	trans	-68	-34.7	177.1	-64.7	-26.8	0	0	0	111.8	F327 Q329 H336	F327-N332 HydrophobicContact CD1-CB 4Å; Q329-N332 PolarHBondContact O-N 3.03Å; Q329-N332 PolarHBondContact OE1-ND2 3.26Å; Q329-N332 VanDerWaalsContact OE1-ND2 3.08Å; N332-H336 VanDerWaalsContact O-CB 3.32Å; N332-H336 WeakPolarHBondContact O-CB 3.4Å; N332-H336 PolarHBondContact O-N 3.42Å
333	Y	88.7	Confident	84.1	Confident	42 Å²	42	68.7 Å²	68.7	17%	0.165	38%	0.376	C	S	.	.	H	α-helix	trans	-65.5	-46.2	171.4	165.3	-96.9	0	0	0	112.7	F318 T319 E321 F327 Q329 K330 G331 H336 K337	F318-Y333 HydrophobicContact CB-CD1 4.29Å; F318-Y333 HydrophobicContact CB-CD2 3.84Å; F318-Y333 HydrophobicContact CB-CG 3.66Å; F318-Y333 HydrophobicContact CG-CG 4.49Å; T319-Y333 WeakPolarHBondContact O-CE2 3.14Å; E321-Y333 PolarHBondContact OE1-OH 3.46Å; F327-Y333 HydrophobicContact CD2-CD2 4.39Å; Q329-Y333 PolarHBondContact O-N 2.65Å; K330-Y333 PolarHBondContact O-N 3.15Å; G331-Y333 VanDerWaalsContact C-N 3.33Å; G331-Y333 PolarHBondContact O-N 2.94Å; Y333-H336 PolarHBondContact O-N 3.26Å; Y333-K337 HydrophobicContact CE1-CD 4.14Å; Y333-K337 HydrophobicContact CE2-CD 4.44Å; Y333-K337 PolarHBondContact O-N 2.67Å; Y333-K337 WeakPolarHBondContact OH-CE 3.39Å; Y333-K337 PolarHBondContact OH-NZ 2.84Å
334	K	86.4	Confident	83.7	Confident	146 Å²	146	70.5 Å²	70.5	64%	0.635	38%	0.377	S	S	*	.	H	α-helix	trans	-57.6	-51.9	173.1	-84.8	-160.8	169.1	-160	0	111.3	K330 G331 H336 K337 L338	K330-K334 PolarHBondContact O-N 2.87Å; G331-K334 PolarHBondContact O-N 3.35Å; K334-H336 PolarHBondContact O-N 2.88Å; K334-K337 PolarHBondContact O-N 3.47Å; K334-L338 PolarHBondContact O-N 3.07Å
335	N	83.7	Confident	83.4	Confident	60 Å²	60	73.4 Å²	73.4	32%	0.321	38%	0.375	S	S	.	.	H	α-helix	trans	-55.3	-33.5	175.9	-85.2	-42.3	0	0	0	112.9	G331 Q357	G331-N335 WeakPolarHBondContact O-CB 3.29Å; G331-N335 PolarHBondContact O-N 3.23Å; G331-N335 PolarHBondContact O-ND2 2.86Å; N335-Q357 PolarHBondContact OD1-NE2 3.36Å
336	H	87.5	Confident	83.2	Confident	25 Å²	25	73.2 Å²	73.2	12%	0.116	37%	0.373	C	S	.	.	H	α-helix	trans	-79.2	-36.1	174.9	177.7	52.5	0	0	0	113.7	C323 F327 N332 Y333 K334 L338 T339 H340	C323-H336 PolarHBondContact SG-NE2 3.31Å; F327-H336 HydrophobicContact CE1-CB 4.03Å; F327-H336 HydrophobicContact CE2-CB 3.96Å; F327-H336 AromaticContact CE2-CD2 3.25Å; F327-H336 WeakPolarHBondContact CE2-CD2 3.31Å; F327-H336 AromaticContact CE2-CG 3.74Å; F327-H336 HydrophobicContact CZ-CB 3.52Å; F327-H336 AromaticContact CZ-CD2 3.3Å; F327-H336 WeakPolarHBondContact CZ-CD2 3.32Å; F327-H336 AromaticContact CZ-CG 3.33Å; N332-H336 VanDerWaalsContact O-CB 3.32Å; N332-H336 WeakPolarHBondContact O-CB 3.4Å; N332-H336 PolarHBondContact O-N 3.42Å; Y333-H336 PolarHBondContact O-N 3.26Å; K334-H336 PolarHBondContact O-N 2.88Å; H336-L338 PolarHBondContact O-N 3.32Å; H336-T339 PolarHBondContact CE1-OG1 2.81Å; H336-T339 PolarHBondContact ND1-OG1 2.85Å; H336-T339 WeakPolarHBondContact O-CB 3.34Å; H336-T339 PolarHBondContact O-N 2.92Å; H336-T339 PolarHBondContact O-OG1 2.82Å; H336-H340 AromaticContact CD2-NE2 3.84Å; H336-H340 AromaticContact CE1-CE1 3.81Å; H336-H340 AromaticContact CE1-NE2 3.14Å; H336-H340 PolarHBondContact CE1-NE2 3.5Å; H336-H340 AromaticContact NE2-CD2 3.94Å; H336-H340 AromaticContact NE2-CE1 3.89Å; H336-H340 AromaticContact NE2-NE2 2.99Å; H336-H340 PolarHBondContact NE2-NE2 3.06Å
337	K	85	Confident	83.1	Confident	78 Å²	78	79.3 Å²	79.3	34%	0.339	39%	0.392	S	S	.	.	H	α-helix	trans	-55.9	-38.1	173.1	-93.9	-167	160.4	179.8	0	111.2	E321 Y333 K334 T339 H340	E321-K337 VanDerWaalsContact CD-NZ 3.32Å; E321-K337 VanDerWaalsContact OE1-CE 3.25Å; E321-K337 WeakPolarHBondContact OE1-CE 3.4Å; E321-K337 IonicContact OE1-NZ 2.65Å; E321-K337 PolarHBondContact OE1-NZ 2.79Å; E321-K337 IonicContact OE2-NZ 2.85Å; E321-K337 PolarHBondContact OE2-NZ 2.91Å; Y333-K337 HydrophobicContact CE1-CD 4.14Å; Y333-K337 HydrophobicContact CE2-CD 4.44Å; Y333-K337 PolarHBondContact O-N 2.67Å; Y333-K337 WeakPolarHBondContact OH-CE 3.39Å; Y333-K337 PolarHBondContact OH-NZ 2.84Å; K334-K337 PolarHBondContact O-N 3.47Å; K337-T339 PolarHBondContact O-N 2.94Å; K337-T339 VanDerWaalsContact O-N 3.15Å; K337-H340 PolarHBondContact O-N 3.45Å
338	L	84.8	Confident	83.3	Confident	60 Å²	60	77.2 Å²	77.2	31%	0.314	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-25.5	172.6	-62.3	176.1	0	0	0	114.4	K334 H336 H340 S341 H356	K334-L338 PolarHBondContact O-N 3.07Å; H336-L338 PolarHBondContact O-N 3.32Å; L338-H340 VanDerWaalsContact C-N 3.28Å; L338-H340 PolarHBondContact O-N 2.86Å; L338-S341 PolarHBondContact O-N 3.38Å; L338-H356 HydrophobicContact CB-CB 4.27Å; L338-H356 PolarHBondContact O-ND1 3.15Å
339	T	82.8	Confident	83.4	Confident	65 Å²	65	82.8 Å²	82.8	40%	0.399	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-7.3	177.5	65.1	0	0	0	0	114.4	H336 K337	H336-T339 PolarHBondContact CE1-OG1 2.81Å; H336-T339 PolarHBondContact ND1-OG1 2.85Å; H336-T339 WeakPolarHBondContact O-CB 3.34Å; H336-T339 PolarHBondContact O-N 2.92Å; H336-T339 PolarHBondContact O-OG1 2.82Å; K337-T339 PolarHBondContact O-N 2.94Å; K337-T339 VanDerWaalsContact O-N 3.15Å
340	H	83.8	Confident	83.4	Confident	69 Å²	69	83.2 Å²	83.2	32%	0.319	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-19.3	169.5	-59.1	-71.2	0	0	0	112.7	C320 V322 C323 H336 K337 L338	C320-H340 VanDerWaalsContact SG-CD2 3.57Å; C320-H340 PolarHBondContact SG-NE2 3.33Å; V322-H340 HydrophobicContact CG1-CB 4.21Å; V322-H340 HydrophobicContact CG2-CB 4.44Å; C323-H340 PolarHBondContact SG-CE1 2.99Å; C323-H340 PolarHBondContact SG-NE2 3.25Å; H336-H340 AromaticContact CD2-NE2 3.84Å; H336-H340 AromaticContact CE1-CE1 3.81Å; H336-H340 AromaticContact CE1-NE2 3.14Å; H336-H340 PolarHBondContact CE1-NE2 3.5Å; H336-H340 AromaticContact NE2-CD2 3.94Å; H336-H340 AromaticContact NE2-CE1 3.89Å; H336-H340 AromaticContact NE2-NE2 2.99Å; H336-H340 PolarHBondContact NE2-NE2 3.06Å; K337-H340 PolarHBondContact O-N 3.45Å; L338-H340 VanDerWaalsContact C-N 3.28Å; L338-H340 PolarHBondContact O-N 2.86Å
341	S	79.7	Confident	83.5	Confident	40 Å²	40	80.4 Å²	80.4	28%	0.28	41%	0.406	S	S	.	.	S	Bend	trans	-69.4	143.8	167.7	-174.2	0	0	0	0	110	L338 E343 H356	L338-S341 PolarHBondContact O-N 3.38Å; S341-E343 PolarHBondContact O-N 3.33Å; S341-E343 WeakPolarHBondContact OG-CB 3.16Å; S341-E343 PolarHBondContact OG-N 3.42Å; S341-E343 VanDerWaalsContact OG-N 3.08Å; S341-H356 PolarHBondContact O-CE1 3.48Å
342	T	72.9	Confident	83.6	Confident	134 Å²	134	85.4 Å²	85.4	82%	0.822	42%	0.417	S	S	*	.	S	Bend	trans	-69.3	-19.6	167.9	48.6	0	0	0	0	111.6
343	E	75.2	Confident	83.6	Confident	122 Å²	122	87.8 Å²	87.8	57%	0.57	42%	0.424	S	S	*	.			trans	-71.4	133.6	-176.5	-66.8	167	-169.4	0	0	112.9	S341 H356	S341-E343 PolarHBondContact O-N 3.33Å; S341-E343 WeakPolarHBondContact OG-CB 3.16Å; S341-E343 PolarHBondContact OG-N 3.42Å; S341-E343 VanDerWaalsContact OG-N 3.08Å; E343-H356 PolarHBondContact O-ND1 3.41Å
344	K	80.7	Confident	83.4	Confident	95 Å²	95	87.3 Å²	87.3	41%	0.413	43%	0.429	S	S	.	.			trans	-132.7	80.3	180	-74.2	168.6	170.7	-177	0	107.6	Y346 A354 F355 H356	K344-Y346 PolarHBondContact O-N 3.13Å; K344-A354 HydrophobicContact CB-CB 3.43Å; K344-A354 VanDerWaalsContact CB-CB 3.43Å; K344-A354 HydrophobicContact CD-CB 4.15Å; K344-A354 WeakPolarHBondContact CD-O 3.27Å; K344-A354 HydrophobicContact CG-CB 4.4Å; K344-F355 CarbonylContact C-O 3.53Å; K344-F355 WeakPolarHBondContact CA-O 3.39Å; K344-H356 VanDerWaalsContact CE-CE1 3.43Å; K344-H356 WeakPolarHBondContact CE-CE1 3.37Å; K344-H356 WeakPolarHBondContact CE-NE2 3.13Å; K344-H356 VanDerWaalsContact CG-CE1 3.42Å; K344-H356 WeakPolarHBondContact CG-CE1 3.5Å
345	Q	80.5	Confident	83.3	Confident	119 Å²	119	82.7 Å²	82.7	56%	0.556	41%	0.409	S	S	*	.			trans	-54.9	-39.7	-173.5	-67	167.6	-22.6	0	0	112	K347 F355	Q345-K347 PolarHBondContact O-N 3.45Å; Q345-F355 PolarHBondContact N-O 3.39Å
346	Y	83.3	Confident	83.2	Confident	81 Å²	81	81.7 Å²	81.7	32%	0.318	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	94.9	-172.8	-55.3	-78.7	0	0	0	111.5	K344 A354 F355 Q357 I358	K344-Y346 PolarHBondContact O-N 3.13Å; Y346-A354 CarbonylContact O-C 3.59Å; Y346-A354 WeakPolarHBondContact O-CA 3.49Å; Y346-F355 PolarHBondContact N-O 3.33Å; Y346-F355 VanDerWaalsContact N-O 3.1Å; Y346-F355 PolarHBondContact O-N 3.37Å; Y346-Q357 VanDerWaalsContact CD2-C 3.42Å; Y346-Q357 VanDerWaalsContact CD2-CA 3.49Å; Y346-I358 HydrophobicContact CD1-CB 3.72Å; Y346-I358 HydrophobicContact CD1-CD1 4.42Å; Y346-I358 HydrophobicContact CD1-CG1 4Å; Y346-I358 HydrophobicContact CE1-CB 3.63Å; Y346-I358 HydrophobicContact CE1-CD1 4.18Å; Y346-I358 HydrophobicContact CE1-CG1 4.11Å; Y346-I358 HydrophobicContact CG-CB 4.23Å
347	K	84.3	Confident	82.9	Confident	151 Å²	151	81.6 Å²	81.6	66%	0.657	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	140.3	-179.4	-65.4	169.6	-174.6	165.5	0	111.9	Q345 A354	Q345-K347 PolarHBondContact O-N 3.45Å; K347-A354 HydrophobicContact CG-CB 3.92Å
348	C	86.9	Confident	82.8	Confident	2 Å²	2	83.1 Å²	83.1	1%	0.014	41%	0.413	C	S	.	.			trans	-75.7	125.8	171.1	176.4	0	0	0	0	111.5	I350 C351 H352 K353 L361 M365 H368	C348-I350 VanDerWaalsContact C-N 3.29Å; C348-I350 PolarHBondContact O-N 2.85Å; C348-I350 PolarHBondContact SG-N 3.18Å; C348-C351 PolarHBondContact SG-N 3.17Å; C348-H352 WeakPolarHBondContact O-CA 3.25Å; C348-H352 PolarHBondContact O-N 2.99Å; C348-H352 PolarHBondContact O-ND1 3.03Å; C348-K353 WeakPolarHBondContact CB-O 3.38Å; C348-K353 PolarHBondContact N-O 2.89Å; C348-L361 HydrophobicContact CB-CD1 3.9Å; C348-M365 HydrophobicContact CB-CE 3.84Å; C348-M365 WeakPolarHBondContact SG-CE 3.5Å; C348-H368 PolarHBondContact SG-NE2 2.83Å
349	H	86.9	Confident	82.5	Confident	147 Å²	147	85.8 Å²	85.8	68%	0.681	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-23.1	174.7	70	97.3	0	0	0	113.6	H352	H349-H352 PolarHBondContact O-CE1 3.01Å; H349-H352 VanDerWaalsContact O-CE1 3.3Å
350	I	85.1	Confident	82.5	Confident	87 Å²	87	85.1 Å²	85.1	45%	0.446	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-37.4	-176.1	-54.3	179.1	0	0	0	112.9	C348 H368	C348-I350 VanDerWaalsContact C-N 3.29Å; C348-I350 PolarHBondContact O-N 2.85Å; C348-I350 PolarHBondContact SG-N 3.18Å; I350-H368 HydrophobicContact CD1-CB 3.65Å; I350-H368 HydrophobicContact CG2-CB 4.38Å
351	C	87.8	Confident	82.6	Confident	45 Å²	45	83.2 Å²	83.2	30%	0.304	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.5	15	-176.7	82.4	0	0	0	0	114.6	C348 K353 H364 H368	C348-C351 PolarHBondContact SG-N 3.17Å; C351-K353 PolarHBondContact O-N 3.35Å; C351-H364 PolarHBondContact SG-NE2 3.46Å; C351-H368 PolarHBondContact SG-CE1 3.09Å
352	H	84.2	Confident	82.7	Confident	147 Å²	147	84.4 Å²	84.4	68%	0.681	41%	0.414	S	S	*	.			trans	56.5	9.6	172.5	-46.9	-45.6	0	0	0	117	C348 H349 A354	C348-H352 WeakPolarHBondContact O-CA 3.25Å; C348-H352 PolarHBondContact O-N 2.99Å; C348-H352 PolarHBondContact O-ND1 3.03Å; H349-H352 PolarHBondContact O-CE1 3.01Å; H349-H352 VanDerWaalsContact O-CE1 3.3Å; H352-A354 PolarHBondContact O-N 3.08Å
353	K	85.6	Confident	82.9	Confident	129 Å²	129	82 Å²	82	56%	0.561	39%	0.392	S	S	*	.			trans	-61.9	130	168.5	-73.6	177	-176.8	168.9	0	109.3	C348 C351 F355	C348-K353 WeakPolarHBondContact CB-O 3.38Å; C348-K353 PolarHBondContact N-O 2.89Å; C351-K353 PolarHBondContact O-N 3.35Å; K353-F355 HydrophobicContact CB-CE2 3.9Å; K353-F355 HydrophobicContact CB-CZ 4.11Å; K353-F355 VanDerWaalsContact O-CE2 3.31Å; K353-F355 WeakPolarHBondContact O-CE2 3.43Å
354	A	85.1	Confident	83.3	Confident	32 Å²	32	77 Å²	77	26%	0.264	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	145.3	-174.4	0	0	0	0	0	111.5	K344 Y346 K347 H352	K344-A354 HydrophobicContact CB-CB 3.43Å; K344-A354 VanDerWaalsContact CB-CB 3.43Å; K344-A354 HydrophobicContact CD-CB 4.15Å; K344-A354 WeakPolarHBondContact CD-O 3.27Å; K344-A354 HydrophobicContact CG-CB 4.4Å; Y346-A354 CarbonylContact O-C 3.59Å; Y346-A354 WeakPolarHBondContact O-CA 3.49Å; K347-A354 HydrophobicContact CG-CB 3.92Å; H352-A354 PolarHBondContact O-N 3.08Å
355	F	84.1	Confident	83.3	Confident	48 Å²	48	74 Å²	74	21%	0.211	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	149.5	-175.4	-57.5	-93.2	0	0	0	110.8	K344 Q345 Y346 K353 Q357 N360 L361 H364	K344-F355 CarbonylContact C-O 3.53Å; K344-F355 WeakPolarHBondContact CA-O 3.39Å; Q345-F355 PolarHBondContact N-O 3.39Å; Y346-F355 PolarHBondContact N-O 3.33Å; Y346-F355 VanDerWaalsContact N-O 3.1Å; Y346-F355 PolarHBondContact O-N 3.37Å; K353-F355 HydrophobicContact CB-CE2 3.9Å; K353-F355 HydrophobicContact CB-CZ 4.11Å; K353-F355 VanDerWaalsContact O-CE2 3.31Å; K353-F355 WeakPolarHBondContact O-CE2 3.43Å; F355-Q357 VanDerWaalsContact C-N 3.26Å; F355-Q357 PolarHBondContact O-N 3.18Å; F355-N360 HydrophobicContact CB-CB 4.14Å; F355-N360 HydrophobicContact CD1-CB 3.81Å; F355-N360 HydrophobicContact CG-CB 4.22Å; F355-L361 HydrophobicContact CD2-CB 4.19Å; F355-L361 HydrophobicContact CD2-CD1 3.83Å; F355-L361 HydrophobicContact CE2-CD1 4.07Å; F355-H364 HydrophobicContact CE1-CB 4.17Å; F355-H364 HydrophobicContact CE2-CB 3.98Å; F355-H364 AromaticContact CE2-CD2 3.27Å; F355-H364 WeakPolarHBondContact CE2-CD2 3.49Å; F355-H364 AromaticContact CE2-CG 3.8Å; F355-H364 HydrophobicContact CZ-CB 3.58Å; F355-H364 AromaticContact CZ-CD2 3.37Å; F355-H364 WeakPolarHBondContact CZ-CD2 3.35Å; F355-H364 AromaticContact CZ-CG 3.45Å; F355-H364 VanDerWaalsContact CZ-CG 3.45Å
356	H	81.1	Confident	83.3	Confident	40 Å²	40	70.8 Å²	70.8	19%	0.185	34%	0.341	C	S	.	.	S	Bend	trans	-77.7	-8.7	177.2	-53.2	-82.9	0	0	0	113.4	L338 S341 E343 K344	L338-H356 HydrophobicContact CB-CB 4.27Å; L338-H356 PolarHBondContact O-ND1 3.15Å; S341-H356 PolarHBondContact O-CE1 3.48Å; E343-H356 PolarHBondContact O-ND1 3.41Å; K344-H356 VanDerWaalsContact CE-CE1 3.43Å; K344-H356 WeakPolarHBondContact CE-CE1 3.37Å; K344-H356 WeakPolarHBondContact CE-NE2 3.13Å; K344-H356 VanDerWaalsContact CG-CE1 3.42Å; K344-H356 WeakPolarHBondContact CG-CE1 3.5Å
357	Q	81	Confident	83.1	Confident	22 Å²	22	70.7 Å²	70.7	10%	0.103	35%	0.349	C	S	.	.	S	Bend	trans	-149.2	137.6	-172.5	-54.8	172	-68.6	0	0	111.4	N335 Y346 F355 Y359 N360 L361	N335-Q357 PolarHBondContact OD1-NE2 3.36Å; Y346-Q357 VanDerWaalsContact CD2-C 3.42Å; Y346-Q357 VanDerWaalsContact CD2-CA 3.49Å; F355-Q357 VanDerWaalsContact C-N 3.26Å; F355-Q357 PolarHBondContact O-N 3.18Å; Q357-Y359 VanDerWaalsContact C-N 3.33Å; Q357-Y359 HydrophobicContact CB-CD1 4.16Å; Q357-Y359 HydrophobicContact CB-CE1 3.97Å; Q357-Y359 VanDerWaalsContact CD-OH 3.29Å; Q357-Y359 HydrophobicContact CG-CE1 4.36Å; Q357-Y359 PolarHBondContact NE2-OH 3.2Å; Q357-Y359 PolarHBondContact O-N 3.46Å; Q357-Y359 VanDerWaalsContact OE1-CZ 3.3Å; Q357-Y359 PolarHBondContact OE1-OH 2.84Å; Q357-N360 WeakPolarHBondContact O-CB 3.28Å; Q357-N360 PolarHBondContact O-N 3.38Å; Q357-N360 VanDerWaalsContact O-N 3.09Å; Q357-N360 PolarHBondContact OE1-ND2 3.26Å; Q357-L361 PolarHBondContact O-N 3.19Å
358	I	83.6	Confident	82.9	Confident	111 Å²	111	66.6 Å²	66.6	57%	0.569	33%	0.332	S	S	*	.	H	α-helix	trans	-58.5	-36.9	-176.2	-165.4	166.5	0	0	0	113.9	Y346 N360 L361 S362	Y346-I358 HydrophobicContact CD1-CB 3.72Å; Y346-I358 HydrophobicContact CD1-CD1 4.42Å; Y346-I358 HydrophobicContact CD1-CG1 4Å; Y346-I358 HydrophobicContact CE1-CB 3.63Å; Y346-I358 HydrophobicContact CE1-CD1 4.18Å; Y346-I358 HydrophobicContact CE1-CG1 4.11Å; Y346-I358 HydrophobicContact CG-CB 4.23Å; I358-N360 VanDerWaalsContact C-N 3.3Å; I358-N360 PolarHBondContact O-N 3.02Å; I358-L361 WeakPolarHBondContact O-CB 3.19Å; I358-L361 PolarHBondContact O-N 2.61Å; I358-L361 VanDerWaalsContact O-N 3.14Å; I358-S362 PolarHBondContact O-N 2.85Å
359	Y	78.4	Confident	82.4	Confident	116 Å²	116	71.6 Å²	71.6	46%	0.455	36%	0.355	S	S	.	.	H	α-helix	trans	-67.9	-30.1	179	66.1	-105.3	0	0	0	112.8	Q357 L361 S362 F363	Q357-Y359 VanDerWaalsContact C-N 3.33Å; Q357-Y359 HydrophobicContact CB-CD1 4.16Å; Q357-Y359 HydrophobicContact CB-CE1 3.97Å; Q357-Y359 VanDerWaalsContact CD-OH 3.29Å; Q357-Y359 HydrophobicContact CG-CE1 4.36Å; Q357-Y359 PolarHBondContact NE2-OH 3.2Å; Q357-Y359 PolarHBondContact O-N 3.46Å; Q357-Y359 VanDerWaalsContact OE1-CZ 3.3Å; Q357-Y359 PolarHBondContact OE1-OH 2.84Å; Y359-L361 VanDerWaalsContact C-N 3.34Å; Y359-S362 PolarHBondContact O-N 3.37Å; Y359-F363 HydrophobicContact CD2-CD2 4.22Å; Y359-F363 HydrophobicContact CD2-CE2 4.05Å; Y359-F363 WeakPolarHBondContact O-CD2 3.45Å; Y359-F363 WeakPolarHBondContact O-CG 3.36Å; Y359-F363 PolarHBondContact O-N 3.28Å
360	N	82.3	Confident	81.5	Confident	50 Å²	50	68.1 Å²	68.1	27%	0.267	35%	0.352	S	S	.	.	H	α-helix	trans	-70.8	-34.1	173.7	-68.4	-43.3	0	0	0	111.2	F355 Q357 I358 H364	F355-N360 HydrophobicContact CB-CB 4.14Å; F355-N360 HydrophobicContact CD1-CB 3.81Å; F355-N360 HydrophobicContact CG-CB 4.22Å; Q357-N360 WeakPolarHBondContact O-CB 3.28Å; Q357-N360 PolarHBondContact O-N 3.38Å; Q357-N360 VanDerWaalsContact O-N 3.09Å; Q357-N360 PolarHBondContact OE1-ND2 3.26Å; I358-N360 VanDerWaalsContact C-N 3.3Å; I358-N360 PolarHBondContact O-N 3.02Å; N360-H364 WeakPolarHBondContact O-CB 3.45Å; N360-H364 PolarHBondContact O-N 3.48Å
361	L	85.7	Confident	80.8	Confident	30 Å²	30	69.9 Å²	69.9	16%	0.157	36%	0.357	C	S	.	.	H	α-helix	trans	-64.1	-47.1	169.9	-179.2	67.9	0	0	0	110.7	C348 F355 Q357 I358 Y359 F363 H364 M365	C348-L361 HydrophobicContact CB-CD1 3.9Å; F355-L361 HydrophobicContact CD2-CB 4.19Å; F355-L361 HydrophobicContact CD2-CD1 3.83Å; F355-L361 HydrophobicContact CE2-CD1 4.07Å; Q357-L361 PolarHBondContact O-N 3.19Å; I358-L361 WeakPolarHBondContact O-CB 3.19Å; I358-L361 PolarHBondContact O-N 2.61Å; I358-L361 VanDerWaalsContact O-N 3.14Å; Y359-L361 VanDerWaalsContact C-N 3.34Å; L361-F363 PolarHBondContact O-N 2.75Å; L361-H364 CarbonylContact O-C 3.57Å; L361-H364 WeakPolarHBondContact O-CA 3.28Å; L361-H364 WeakPolarHBondContact O-CB 3.27Å; L361-H364 PolarHBondContact O-N 2.83Å; L361-M365 HydrophobicContact CD1-CE 3.46Å; L361-M365 VanDerWaalsContact CD1-CE 3.46Å; L361-M365 HydrophobicContact CG-CE 4.11Å; L361-M365 WeakPolarHBondContact O-CE 3.35Å; L361-M365 PolarHBondContact O-N 3.13Å
362	S	82	Confident	80.3	Confident	65 Å²	65	73.2 Å²	73.2	46%	0.455	37%	0.366	S	S	.	.	H	α-helix	trans	-58.3	-47.4	176.5	178.1	0	0	0	0	112.8	I358 Y359 H364 M365 H366	I358-S362 PolarHBondContact O-N 2.85Å; Y359-S362 PolarHBondContact O-N 3.37Å; S362-H364 PolarHBondContact O-N 3.31Å; S362-M365 PolarHBondContact O-N 2.9Å; S362-M365 VanDerWaalsContact O-N 3.1Å; S362-H366 PolarHBondContact O-ND1 3.03Å
363	F	77	Confident	80	Confident	84 Å²	84	70 Å²	70	37%	0.368	36%	0.358	S	S	.	.	H	α-helix	trans	-63.3	-26.2	173.1	-68.7	-50.5	0	0	0	113.3	Y359 L361 R385	Y359-F363 HydrophobicContact CD2-CD2 4.22Å; Y359-F363 HydrophobicContact CD2-CE2 4.05Å; Y359-F363 WeakPolarHBondContact O-CD2 3.45Å; Y359-F363 WeakPolarHBondContact O-CG 3.36Å; Y359-F363 PolarHBondContact O-N 3.28Å; L361-F363 PolarHBondContact O-N 2.75Å; F363-R385 HydrophobicContact CB-CG 4.33Å; F363-R385 HydrophobicContact CD1-CG 3.91Å; F363-R385 HydrophobicContact CE1-CG 4.48Å; F363-R385 HydrophobicContact CG-CG 4.14Å
364	H	83.1	Confident	79.9	Confident	17 Å²	17	67.9 Å²	67.9	8%	0.079	35%	0.347	C	S	.	.	H	α-helix	trans	-76.3	-32.7	172.2	174.4	42	0	0	0	112.8	C351 F355 N360 L361 S362 H366 T367 H368	C351-H364 PolarHBondContact SG-NE2 3.46Å; F355-H364 HydrophobicContact CE1-CB 4.17Å; F355-H364 HydrophobicContact CE2-CB 3.98Å; F355-H364 AromaticContact CE2-CD2 3.27Å; F355-H364 WeakPolarHBondContact CE2-CD2 3.49Å; F355-H364 AromaticContact CE2-CG 3.8Å; F355-H364 HydrophobicContact CZ-CB 3.58Å; F355-H364 AromaticContact CZ-CD2 3.37Å; F355-H364 WeakPolarHBondContact CZ-CD2 3.35Å; F355-H364 AromaticContact CZ-CG 3.45Å; F355-H364 VanDerWaalsContact CZ-CG 3.45Å; N360-H364 WeakPolarHBondContact O-CB 3.45Å; N360-H364 PolarHBondContact O-N 3.48Å; L361-H364 CarbonylContact O-C 3.57Å; L361-H364 WeakPolarHBondContact O-CA 3.28Å; L361-H364 WeakPolarHBondContact O-CB 3.27Å; L361-H364 PolarHBondContact O-N 2.83Å; S362-H364 PolarHBondContact O-N 3.31Å; H364-H366 PolarHBondContact O-N 3.2Å; H364-T367 PolarHBondContact CE1-OG1 2.72Å; H364-T367 PolarHBondContact ND1-OG1 2.92Å; H364-T367 WeakPolarHBondContact O-CB 3.39Å; H364-T367 PolarHBondContact O-N 3.05Å; H364-T367 PolarHBondContact O-OG1 3.37Å; H364-H368 AromaticContact CD2-NE2 3.96Å; H364-H368 AromaticContact CE1-CD2 3.97Å; H364-H368 AromaticContact CE1-CE1 3.59Å; H364-H368 AromaticContact CE1-NE2 3.13Å; H364-H368 PolarHBondContact CE1-NE2 3.44Å; H364-H368 AromaticContact NE2-CE1 3.86Å; H364-H368 AromaticContact NE2-NE2 3.09Å; H364-H368 PolarHBondContact NE2-NE2 3.43Å
365	M	81	Confident	79.8	Confident	31 Å²	31	71.2 Å²	71.2	15%	0.153	36%	0.36	C	S	.	.	H	α-helix	trans	-59.4	-32	176.5	-63.3	-49.8	89.2	0	0	112.2	C348 L361 S362 T367 H368 Q369	C348-M365 HydrophobicContact CB-CE 3.84Å; C348-M365 WeakPolarHBondContact SG-CE 3.5Å; L361-M365 HydrophobicContact CD1-CE 3.46Å; L361-M365 VanDerWaalsContact CD1-CE 3.46Å; L361-M365 HydrophobicContact CG-CE 4.11Å; L361-M365 WeakPolarHBondContact O-CE 3.35Å; L361-M365 PolarHBondContact O-N 3.13Å; S362-M365 PolarHBondContact O-N 2.9Å; S362-M365 VanDerWaalsContact O-N 3.1Å; M365-T367 PolarHBondContact O-N 3.2Å; M365-H368 PolarHBondContact O-N 3.21Å; M365-Q369 PolarHBondContact O-N 3.41Å; M365-Q369 VanDerWaalsContact O-N 3.15Å
366	H	80.4	Confident	79.9	Confident	51 Å²	51	69 Å²	69	24%	0.236	35%	0.35	C	S	.	.	H	α-helix	trans	-58.7	-26.8	172.7	-68.3	74.1	0	0	0	113.4	S362 H364 H368 A370 K371 C384	S362-H366 PolarHBondContact O-ND1 3.03Å; H364-H366 PolarHBondContact O-N 3.2Å; H366-H368 VanDerWaalsContact C-N 3.33Å; H366-A370 PolarHBondContact O-N 2.99Å; H366-K371 PolarHBondContact O-N 2.92Å; H366-C384 HydrophobicContact CB-CB 3.92Å
367	T	79.7	Confident	80.1	Confident	80 Å²	80	73.4 Å²	73.4	49%	0.491	38%	0.375	S	S	.	.	H	α-helix	trans	-75.2	-22.7	176.8	69	0	0	0	0	113	H364 M365	H364-T367 PolarHBondContact CE1-OG1 2.72Å; H364-T367 PolarHBondContact ND1-OG1 2.92Å; H364-T367 WeakPolarHBondContact O-CB 3.39Å; H364-T367 PolarHBondContact O-N 3.05Å; H364-T367 PolarHBondContact O-OG1 3.37Å; M365-T367 PolarHBondContact O-N 3.2Å
368	H	80.8	Confident	80.2	Confident	64 Å²	64	75.8 Å²	75.8	30%	0.296	39%	0.388	S	S	.	.	H	α-helix	trans	-86.5	-39.6	175.9	-62.3	-53	0	0	0	112.1	C348 I350 C351 H364 M365 H366 A370	C348-H368 PolarHBondContact SG-NE2 2.83Å; I350-H368 HydrophobicContact CD1-CB 3.65Å; I350-H368 HydrophobicContact CG2-CB 4.38Å; C351-H368 PolarHBondContact SG-CE1 3.09Å; H364-H368 AromaticContact CD2-NE2 3.96Å; H364-H368 AromaticContact CE1-CD2 3.97Å; H364-H368 AromaticContact CE1-CE1 3.59Å; H364-H368 AromaticContact CE1-NE2 3.13Å; H364-H368 PolarHBondContact CE1-NE2 3.44Å; H364-H368 AromaticContact NE2-CE1 3.86Å; H364-H368 AromaticContact NE2-NE2 3.09Å; H364-H368 PolarHBondContact NE2-NE2 3.43Å; M365-H368 PolarHBondContact O-N 3.21Å; H366-H368 VanDerWaalsContact C-N 3.33Å; H368-A370 PolarHBondContact O-N 3.22Å
369	Q	75.3	Confident	80.4	Confident	107 Å²	107	72.4 Å²	72.4	50%	0.5	37%	0.374	S	S	.	.	S	Bend	trans	-76.2	1.2	178.9	-59.5	-175	13.1	0	0	113.4	M365 K371	M365-Q369 PolarHBondContact O-N 3.41Å; M365-Q369 VanDerWaalsContact O-N 3.15Å; Q369-K371 HydrophobicContact CB-CB 4.36Å; Q369-K371 HydrophobicContact CB-CD 4.13Å; Q369-K371 HydrophobicContact CB-CG 3.97Å; Q369-K371 PolarHBondContact O-N 3.47Å; Q369-K371 VanDerWaalsContact OE1-CD 3.31Å; Q369-K371 VanDerWaalsContact OE1-CE 3.24Å
370	A	67.4	Low	80.6	Confident	75 Å²	75	73.1 Å²	73.1	62%	0.62	39%	0.385	S	S	*	.			trans	52.5	2.5	-167.8	0	0	0	0	0	115.8	H366 H368 K372	H366-A370 PolarHBondContact O-N 2.99Å; H368-A370 PolarHBondContact O-N 3.22Å; A370-K372 PolarHBondContact O-N 3.3Å; A370-K372 VanDerWaalsContact O-N 3.14Å
371	K	71.4	Confident	80.6	Confident	124 Å²	124	76.1 Å²	76.1	54%	0.539	40%	0.396	S	S	.	.			trans	-64.7	113.7	-176.4	-72.9	-179.2	-171.3	163.2	0	110.3	H366 Q369 P373	H366-K371 PolarHBondContact O-N 2.92Å; Q369-K371 HydrophobicContact CB-CB 4.36Å; Q369-K371 HydrophobicContact CB-CD 4.13Å; Q369-K371 HydrophobicContact CB-CG 3.97Å; Q369-K371 PolarHBondContact O-N 3.47Å; Q369-K371 VanDerWaalsContact OE1-CD 3.31Å; Q369-K371 VanDerWaalsContact OE1-CE 3.24Å; K371-P373 WeakPolarHBondContact O-CD 3.2Å
372	K	76.9	Confident	80.5	Confident	114 Å²	114	75.2 Å²	75.2	50%	0.496	39%	0.394	S	S	.	.			trans	-115.2	67.9	179.2	-77.8	165.1	159.9	-130.4	0	110.1	A370 Y374 G382 F383	A370-K372 PolarHBondContact O-N 3.3Å; A370-K372 VanDerWaalsContact O-N 3.14Å; K372-Y374 PolarHBondContact O-N 3.3Å; K372-G382 VanDerWaalsContact CD-O 3.27Å; K372-G382 WeakPolarHBondContact CD-O 3.23Å; K372-G382 VanDerWaalsContact CE-O 3.31Å; K372-G382 WeakPolarHBondContact CE-O 3.46Å; K372-G382 PolarHBondContact NZ-O 2.83Å; K372-F383 CarbonylContact C-O 3.6Å; K372-F383 VanDerWaalsContact C-O 3.27Å; K372-F383 WeakPolarHBondContact CA-O 3.46Å
373	P	79.1	Confident	80.5	Confident	80 Å²	80	74.2 Å²	74.2	52%	0.519	38%	0.381	S	S	.	.			trans	-65.2	-10.6	-171.5	26.7	-35.5	0	0	0	114.4	K371	K371-P373 WeakPolarHBondContact O-CD 3.2Å
374	Y	82.2	Confident	80.6	Confident	84 Å²	84	71.3 Å²	71.3	33%	0.329	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	90.9	178.5	-57	-74.9	0	0	0	110	K372 F383 R385 N386	K372-Y374 PolarHBondContact O-N 3.3Å; Y374-F383 PolarHBondContact N-O 3.21Å; Y374-F383 VanDerWaalsContact N-O 3.16Å; Y374-F383 PolarHBondContact O-N 3.29Å; Y374-R385 VanDerWaalsContact CD2-CA 3.48Å; Y374-N386 HydrophobicContact CD1-CB 3.77Å; Y374-N386 WeakPolarHBondContact CD1-ND2 3.49Å; Y374-N386 HydrophobicContact CE1-CB 3.61Å; Y374-N386 HydrophobicContact CE2-CB 4.43Å; Y374-N386 HydrophobicContact CG-CB 4.23Å
375	I	83	Confident	80.4	Confident	103 Å²	103	75.2 Å²	75.2	53%	0.528	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	140.9	178.8	-55.8	176.6	0	0	0	109.9	D380	I375-D380 HydrophobicContact CG2-CB 4.46Å
376	C	87.5	Confident	80.4	Confident	0 Å²	0	76.6 Å²	76.6	0%	0	39%	0.393	C	S	.	.			trans	-82.2	118.6	170.4	-174.6	0	0	0	0	111.1	I378 C379 D380 K381 F383 L389 H392	C376-I378 PolarHBondContact O-N 2.79Å; C376-C379 PolarHBondContact O-N 3.34Å; C376-D380 VanDerWaalsContact O-CA 3.26Å; C376-D380 WeakPolarHBondContact O-CA 3.3Å; C376-D380 PolarHBondContact O-N 3.4Å; C376-K381 PolarHBondContact N-O 2.94Å; C376-F383 HydrophobicContact CB-CE2 4.44Å; C376-L389 HydrophobicContact CB-CD1 3.6Å; C376-H392 WeakPolarHBondContact CB-NE2 3.29Å; C376-H392 PolarHBondContact SG-NE2 2.73Å
377	N	83.8	Confident	80.4	Confident	133 Å²	133	80.5 Å²	80.5	71%	0.711	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	9.6	178.9	60.8	-40.1	0	0	0	115.7
378	I	84	Confident	80.5	Confident	72 Å²	72	78.4 Å²	78.4	37%	0.369	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.7	-20.3	-173.1	-53.9	160.7	0	0	0	111.9	C376 H397 S400	C376-I378 PolarHBondContact O-N 2.79Å; I378-H397 HydrophobicContact CD1-CB 3.73Å; I378-H397 WeakPolarHBondContact CG2-ND1 3.21Å; I378-S400 WeakPolarHBondContact CD1-OG 3.11Å
379	C	87	Confident	80.8	Confident	41 Å²	41	76.3 Å²	76.3	28%	0.277	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.6	19.6	174.6	70.6	0	0	0	0	114.1	C376 K381 H392 H397	C376-C379 PolarHBondContact O-N 3.34Å; C379-K381 PolarHBondContact O-N 2.93Å; C379-H392 VanDerWaalsContact SG-CE1 3.51Å; C379-H392 PolarHBondContact SG-NE2 3.48Å; C379-H392 VanDerWaalsContact SG-NE2 3.4Å; C379-H397 PolarHBondContact SG-NE2 3.17Å
380	D	82.3	Confident	81.2	Confident	130 Å²	130	75.6 Å²	75.6	70%	0.695	38%	0.382	S	S	*	.			trans	52.3	15.9	175.2	-55.5	-54.4	0	0	0	116.6	I375 C376 G382	I375-D380 HydrophobicContact CG2-CB 4.46Å; C376-D380 VanDerWaalsContact O-CA 3.26Å; C376-D380 WeakPolarHBondContact O-CA 3.3Å; C376-D380 PolarHBondContact O-N 3.4Å; D380-G382 PolarHBondContact O-N 3.44Å; D380-G382 VanDerWaalsContact O-N 3.07Å
381	K	83.9	Confident	82	Confident	113 Å²	113	76.2 Å²	76.2	49%	0.491	37%	0.371	S	S	.	.			trans	-69.4	110.5	175.8	-74.1	174.1	-168.6	163	0	109.5	C376 C379 F383	C376-K381 PolarHBondContact N-O 2.94Å; C379-K381 PolarHBondContact O-N 2.93Å; K381-F383 HydrophobicContact CB-CE2 3.75Å; K381-F383 HydrophobicContact CB-CZ 3.95Å; K381-F383 WeakPolarHBondContact O-CD2 3.28Å; K381-F383 WeakPolarHBondContact O-CE2 3.27Å
382	G	83.1	Confident	82.7	Confident	11 Å²	11	71.1 Å²	71.1	11%	0.113	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	137.2	171.2	0	0	0	0	0	113.2	K372 D380	K372-G382 VanDerWaalsContact CD-O 3.27Å; K372-G382 WeakPolarHBondContact CD-O 3.23Å; K372-G382 VanDerWaalsContact CE-O 3.31Å; K372-G382 WeakPolarHBondContact CE-O 3.46Å; K372-G382 PolarHBondContact NZ-O 2.83Å; D380-G382 PolarHBondContact O-N 3.44Å; D380-G382 VanDerWaalsContact O-N 3.07Å
383	F	82.5	Confident	83.1	Confident	44 Å²	44	67 Å²	67	19%	0.193	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	149.6	177	-60.4	-88.7	0	0	0	111.6	K372 Y374 C376 K381 R385 D388 L389 H392	K372-F383 CarbonylContact C-O 3.6Å; K372-F383 VanDerWaalsContact C-O 3.27Å; K372-F383 WeakPolarHBondContact CA-O 3.46Å; Y374-F383 PolarHBondContact N-O 3.21Å; Y374-F383 VanDerWaalsContact N-O 3.16Å; Y374-F383 PolarHBondContact O-N 3.29Å; C376-F383 HydrophobicContact CB-CE2 4.44Å; K381-F383 HydrophobicContact CB-CE2 3.75Å; K381-F383 HydrophobicContact CB-CZ 3.95Å; K381-F383 WeakPolarHBondContact O-CD2 3.28Å; K381-F383 WeakPolarHBondContact O-CE2 3.27Å; F383-R385 VanDerWaalsContact C-N 3.33Å; F383-D388 HydrophobicContact CB-CB 4.17Å; F383-D388 HydrophobicContact CD1-CB 3.78Å; F383-D388 HydrophobicContact CG-CB 4.23Å; F383-L389 HydrophobicContact CB-CB 4.36Å; F383-L389 HydrophobicContact CD2-CB 3.94Å; F383-L389 HydrophobicContact CD2-CD1 3.99Å; F383-L389 HydrophobicContact CE2-CD1 4.17Å; F383-L389 HydrophobicContact CG-CB 4.31Å; F383-H392 HydrophobicContact CE1-CB 3.97Å; F383-H392 HydrophobicContact CE2-CB 3.93Å; F383-H392 AromaticContact CE2-CD2 3.24Å; F383-H392 WeakPolarHBondContact CE2-CD2 3.4Å; F383-H392 AromaticContact CE2-CG 3.68Å; F383-H392 HydrophobicContact CZ-CB 3.42Å; F383-H392 VanDerWaalsContact CZ-CB 3.42Å; F383-H392 AromaticContact CZ-CD2 3.42Å; F383-H392 VanDerWaalsContact CZ-CD2 3.42Å; F383-H392 WeakPolarHBondContact CZ-CD2 3.4Å; F383-H392 AromaticContact CZ-CG 3.33Å
384	C	78.6	Confident	83.3	Confident	24 Å²	24	70.6 Å²	70.6	16%	0.162	34%	0.335	C	S	.	.	S	Bend	trans	-79.8	-11.2	178	-53.8	0	0	0	0	113.5	H366	H366-C384 HydrophobicContact CB-CB 3.92Å
385	R	77.8	Confident	83.4	Confident	99 Å²	99	74.1 Å²	74.1	37%	0.374	35%	0.352	S	S	.	.	S	Bend	trans	-141.8	140.9	-179	-55.1	179.5	-62	-173.5	3.3	111.7	F363 Y374 F383 F387 D388 L389	F363-R385 HydrophobicContact CB-CG 4.33Å; F363-R385 HydrophobicContact CD1-CG 3.91Å; F363-R385 HydrophobicContact CE1-CG 4.48Å; F363-R385 HydrophobicContact CG-CG 4.14Å; Y374-R385 VanDerWaalsContact CD2-CA 3.48Å; F383-R385 VanDerWaalsContact C-N 3.33Å; R385-F387 PolarHBondContact O-N 2.72Å; R385-D388 IonicContact CZ-OD1 2.79Å; R385-D388 IonicContact CZ-OD2 3.64Å; R385-D388 VanDerWaalsContact CZ-OD2 3.24Å; R385-D388 IonicContact NE-OD1 3.03Å; R385-D388 IonicContact NE-OD2 2.75Å; R385-D388 PolarHBondContact NE-OD2 2.96Å; R385-D388 VanDerWaalsContact NH2-CG 3.28Å; R385-D388 IonicContact NH2-OD1 3.73Å; R385-D388 PolarHBondContact NH2-OD1 2.99Å; R385-D388 IonicContact NH2-OD2 3.87Å; R385-D388 PolarHBondContact NH2-OD2 2.95Å; R385-D388 PolarHBondContact O-N 3.41Å; R385-L389 PolarHBondContact O-N 2.71Å
386	N	82.6	Confident	83.5	Confident	59 Å²	59	74.3 Å²	74.3	32%	0.316	35%	0.354	S	S	.	.	H	α-helix	trans	-57.4	-33.5	176.7	-166.1	-100.3	0	0	0	112.7	Y374 L389 K390	Y374-N386 HydrophobicContact CD1-CB 3.77Å; Y374-N386 WeakPolarHBondContact CD1-ND2 3.49Å; Y374-N386 HydrophobicContact CE1-CB 3.61Å; Y374-N386 HydrophobicContact CE2-CB 4.43Å; Y374-N386 HydrophobicContact CG-CB 4.23Å; N386-L389 PolarHBondContact O-N 3.4Å; N386-K390 PolarHBondContact O-N 2.84Å; N386-K390 WeakPolarHBondContact OD1-CD 3.25Å; N386-K390 VanDerWaalsContact OD1-CE 3.26Å; N386-K390 WeakPolarHBondContact OD1-CE 3.49Å; N386-K390 PolarHBondContact OD1-NZ 2.79Å
387	F	79	Confident	83.4	Confident	133 Å²	133	75.8 Å²	75.8	58%	0.583	36%	0.36	S	S	*	.	H	α-helix	trans	-62.6	-40.5	175.7	178.6	-93.3	0	0	0	112.6	R385 K390 K391	R385-F387 PolarHBondContact O-N 2.72Å; F387-K390 PolarHBondContact O-N 2.8Å; F387-K391 HydrophobicContact CE1-CD 4.08Å; F387-K391 VanDerWaalsContact O-CB 3.24Å; F387-K391 WeakPolarHBondContact O-CB 3.21Å; F387-K391 PolarHBondContact O-N 2.72Å
388	D	82.9	Confident	82.8	Confident	37 Å²	37	73.2 Å²	73.2	20%	0.198	35%	0.351	C	S	.	.	H	α-helix	trans	-71.1	-39	179.6	-61.9	-43.8	0	0	0	110.8	F383 R385 K391 H392	F383-D388 HydrophobicContact CB-CB 4.17Å; F383-D388 HydrophobicContact CD1-CB 3.78Å; F383-D388 HydrophobicContact CG-CB 4.23Å; R385-D388 IonicContact CZ-OD1 2.79Å; R385-D388 IonicContact CZ-OD2 3.64Å; R385-D388 VanDerWaalsContact CZ-OD2 3.24Å; R385-D388 IonicContact NE-OD1 3.03Å; R385-D388 IonicContact NE-OD2 2.75Å; R385-D388 PolarHBondContact NE-OD2 2.96Å; R385-D388 VanDerWaalsContact NH2-CG 3.28Å; R385-D388 IonicContact NH2-OD1 3.73Å; R385-D388 PolarHBondContact NH2-OD1 2.99Å; R385-D388 IonicContact NH2-OD2 3.87Å; R385-D388 PolarHBondContact NH2-OD2 2.95Å; R385-D388 PolarHBondContact O-N 3.41Å; D388-K391 PolarHBondContact O-N 3.27Å; D388-H392 VanDerWaalsContact O-CB 3.29Å; D388-H392 WeakPolarHBondContact O-CB 3.43Å; D388-H392 PolarHBondContact O-N 3.43Å
389	L	87	Confident	81.7	Confident	19 Å²	19	75.3 Å²	75.3	10%	0.099	37%	0.367	C	S	.	.	H	α-helix	trans	-57.4	-51	170.2	171.8	59	0	0	0	111.3	C376 F383 R385 N386 K391 H392 I393	C376-L389 HydrophobicContact CB-CD1 3.6Å; F383-L389 HydrophobicContact CB-CB 4.36Å; F383-L389 HydrophobicContact CD2-CB 3.94Å; F383-L389 HydrophobicContact CD2-CD1 3.99Å; F383-L389 HydrophobicContact CE2-CD1 4.17Å; F383-L389 HydrophobicContact CG-CB 4.31Å; R385-L389 PolarHBondContact O-N 2.71Å; N386-L389 PolarHBondContact O-N 3.4Å; L389-K391 VanDerWaalsContact C-N 3.33Å; L389-K391 PolarHBondContact O-N 3.35Å; L389-H392 WeakPolarHBondContact O-CB 3.4Å; L389-H392 PolarHBondContact O-N 2.88Å; L389-H392 VanDerWaalsContact O-N 3.12Å; L389-I393 HydrophobicContact CD1-CD1 3.77Å; L389-I393 HydrophobicContact CD1-CG1 4.09Å; L389-I393 HydrophobicContact CG-CD1 3.97Å; L389-I393 WeakPolarHBondContact O-CG1 3.45Å; L389-I393 PolarHBondContact O-N 3.24Å
390	K	83.3	Confident	80.2	Confident	92 Å²	92	75.3 Å²	75.3	40%	0.4	37%	0.368	S	S	.	.	H	α-helix	trans	-64.8	-34.1	178	-77.2	176.2	173.5	156.1	0	113	N386 F387 R394	N386-K390 PolarHBondContact O-N 2.84Å; N386-K390 WeakPolarHBondContact OD1-CD 3.25Å; N386-K390 VanDerWaalsContact OD1-CE 3.26Å; N386-K390 WeakPolarHBondContact OD1-CE 3.49Å; N386-K390 PolarHBondContact OD1-NZ 2.79Å; F387-K390 PolarHBondContact O-N 2.8Å; K390-R394 WeakPolarHBondContact O-CB 3.25Å; K390-R394 WeakPolarHBondContact O-CD 3.31Å; K390-R394 WeakPolarHBondContact O-CG 3.16Å; K390-R394 PolarHBondContact O-N 3.38Å
391	K	84.4	Confident	78.7	Confident	89 Å²	89	73.3 Å²	73.3	39%	0.387	36%	0.356	S	S	.	.	H	α-helix	trans	-68.7	-33.7	172.9	-175.2	178.1	-179.1	179.4	0	111.9	F387 D388 L389 K395	F387-K391 HydrophobicContact CE1-CD 4.08Å; F387-K391 VanDerWaalsContact O-CB 3.24Å; F387-K391 WeakPolarHBondContact O-CB 3.21Å; F387-K391 PolarHBondContact O-N 2.72Å; D388-K391 PolarHBondContact O-N 3.27Å; L389-K391 VanDerWaalsContact C-N 3.33Å; L389-K391 PolarHBondContact O-N 3.35Å; K391-K395 WeakPolarHBondContact O-CB 3.16Å; K391-K395 WeakPolarHBondContact O-CG 3.29Å; K391-K395 PolarHBondContact O-N 2.74Å
392	H	86.4	Confident	76.9	Confident	17 Å²	17	74.6 Å²	74.6	8%	0.079	37%	0.367	C	S	.	.	H	α-helix	trans	-71	-49.9	174.7	156.7	57.6	0	0	0	111.8	C376 C379 F383 D388 L389 R394 K395 L396 H397	C376-H392 WeakPolarHBondContact CB-NE2 3.29Å; C376-H392 PolarHBondContact SG-NE2 2.73Å; C379-H392 VanDerWaalsContact SG-CE1 3.51Å; C379-H392 PolarHBondContact SG-NE2 3.48Å; C379-H392 VanDerWaalsContact SG-NE2 3.4Å; F383-H392 HydrophobicContact CE1-CB 3.97Å; F383-H392 HydrophobicContact CE2-CB 3.93Å; F383-H392 AromaticContact CE2-CD2 3.24Å; F383-H392 WeakPolarHBondContact CE2-CD2 3.4Å; F383-H392 AromaticContact CE2-CG 3.68Å; F383-H392 HydrophobicContact CZ-CB 3.42Å; F383-H392 VanDerWaalsContact CZ-CB 3.42Å; F383-H392 AromaticContact CZ-CD2 3.42Å; F383-H392 VanDerWaalsContact CZ-CD2 3.42Å; F383-H392 WeakPolarHBondContact CZ-CD2 3.4Å; F383-H392 AromaticContact CZ-CG 3.33Å; D388-H392 VanDerWaalsContact O-CB 3.29Å; D388-H392 WeakPolarHBondContact O-CB 3.43Å; D388-H392 PolarHBondContact O-N 3.43Å; L389-H392 WeakPolarHBondContact O-CB 3.4Å; L389-H392 PolarHBondContact O-N 2.88Å; L389-H392 VanDerWaalsContact O-N 3.12Å; H392-R394 PolarHBondContact O-N 3.48Å; H392-K395 PolarHBondContact O-N 3.2Å; H392-L396 PolarHBondContact O-N 3.4Å; H392-H397 AromaticContact CE1-CD2 3.58Å; H392-H397 AromaticContact CE1-NE2 3.28Å; H392-H397 PolarHBondContact CE1-NE2 2.97Å; H392-H397 VanDerWaalsContact CE1-NE2 3.28Å; H392-H397 AromaticContact NE2-CD2 3.6Å; H392-H397 AromaticContact NE2-NE2 3.49Å; H392-H397 PolarHBondContact NE2-NE2 3.11Å
393	I	85	Confident	74.6	Confident	27 Å²	27	80.8 Å²	80.8	14%	0.138	40%	0.397	C	S	.	.	H	α-helix	trans	-54.6	-52.7	174.9	-68.9	166.8	0	0	0	109.6	L389 K395 L396 H397 I401	L389-I393 HydrophobicContact CD1-CD1 3.77Å; L389-I393 HydrophobicContact CD1-CG1 4.09Å; L389-I393 HydrophobicContact CG-CD1 3.97Å; L389-I393 WeakPolarHBondContact O-CG1 3.45Å; L389-I393 PolarHBondContact O-N 3.24Å; I393-K395 PolarHBondContact O-N 2.76Å; I393-L396 PolarHBondContact O-N 2.82Å; I393-H397 HydrophobicContact CG2-CB 4.38Å; I393-H397 CarbonylContact O-C 3.59Å; I393-H397 VanDerWaalsContact O-CA 3.28Å; I393-H397 WeakPolarHBondContact O-CA 3.21Å; I393-H397 PolarHBondContact O-N 3.46Å; I393-I401 HydrophobicContact CG2-CD1 4.41Å; I393-I401 HydrophobicContact CG2-CG1 3.89Å
394	R	83.8	Confident	72.3	Confident	155 Å²	155	85.7 Å²	85.7	59%	0.585	43%	0.426	S	S	*	.	H	α-helix	trans	-58.7	-16.7	176.8	-72.3	170.4	-176.8	175.1	-1.3	115.8	K390 H392 I401	K390-R394 WeakPolarHBondContact O-CB 3.25Å; K390-R394 WeakPolarHBondContact O-CD 3.31Å; K390-R394 WeakPolarHBondContact O-CG 3.16Å; K390-R394 PolarHBondContact O-N 3.38Å; H392-R394 PolarHBondContact O-N 3.48Å; R394-I401 HydrophobicContact CB-CD1 4.49Å; R394-I401 HydrophobicContact CG-CD1 3.85Å
395	K	83.6	Confident	70	Confident	158 Å²	158	88.1 Å²	88.1	69%	0.687	46%	0.455	S	S	*	.	H	α-helix	trans	-106.4	-31	-178.7	-80.6	-165.6	167.4	-140.5	0	114.7	K391 H392 I393	K391-K395 WeakPolarHBondContact O-CB 3.16Å; K391-K395 WeakPolarHBondContact O-CG 3.29Å; K391-K395 PolarHBondContact O-N 2.74Å; H392-K395 PolarHBondContact O-N 3.2Å; I393-K395 PolarHBondContact O-N 2.76Å
396	L	85.2	Confident	67.8	Low	108 Å²	108	89.2 Å²	89.2	57%	0.565	47%	0.472	S	S	*	.	H	α-helix	trans	-121.1	-16.2	-174.8	-60.9	-175.4	0	0	0	113.5	H392 I393 P398	H392-L396 PolarHBondContact O-N 3.4Å; I393-L396 PolarHBondContact O-N 2.82Å; L396-P398 VanDerWaalsContact C-CD 3.47Å
397	H	84.8	Confident	65.1	Low	30 Å²	30	94.1 Å²	94.1	14%	0.139	50%	0.498	C	S	.	.			trans	-134.5	51.8	178.9	-49.9	-59.3	0	0	0	111.2	I378 C379 H392 I393 T399 S400	I378-H397 HydrophobicContact CD1-CB 3.73Å; I378-H397 WeakPolarHBondContact CG2-ND1 3.21Å; C379-H397 PolarHBondContact SG-NE2 3.17Å; H392-H397 AromaticContact CE1-CD2 3.58Å; H392-H397 AromaticContact CE1-NE2 3.28Å; H392-H397 PolarHBondContact CE1-NE2 2.97Å; H392-H397 VanDerWaalsContact CE1-NE2 3.28Å; H392-H397 AromaticContact NE2-CD2 3.6Å; H392-H397 AromaticContact NE2-NE2 3.49Å; H392-H397 PolarHBondContact NE2-NE2 3.11Å; I393-H397 HydrophobicContact CG2-CB 4.38Å; I393-H397 CarbonylContact O-C 3.59Å; I393-H397 VanDerWaalsContact O-CA 3.28Å; I393-H397 WeakPolarHBondContact O-CA 3.21Å; I393-H397 PolarHBondContact O-N 3.46Å; H397-T399 PolarHBondContact O-N 2.84Å; H397-T399 VanDerWaalsContact O-N 3.16Å; H397-S400 PolarHBondContact O-N 3.37Å; H397-S400 VanDerWaalsContact O-N 3.16Å; H397-S400 PolarHBondContact O-OG 3.46Å; H397-S400 VanDerWaalsContact O-OG 3.06Å
398	P	72.1	Confident	62.8	Low	80 Å²	80	92.4 Å²	92.4	52%	0.519	50%	0.502	S	S	.	.	G	3₁₀ helix	trans	-62.5	-24.3	-176.2	27.6	-35.9	0	0	0	113.2	L396 S400	L396-P398 VanDerWaalsContact C-CD 3.47Å; P398-S400 VanDerWaalsContact C-N 3.33Å; P398-S400 PolarHBondContact O-N 3.06Å
399	T	60.8	Low	60.5	Low	116 Å²	116	98.2 Å²	98.2	71%	0.712	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-70.9	-20.7	177.8	46.9	0	0	0	0	114.2	H397 I401	H397-T399 PolarHBondContact O-N 2.84Å; H397-T399 VanDerWaalsContact O-N 3.16Å; T399-I401 VanDerWaalsContact C-N 3.34Å; T399-I401 PolarHBondContact O-N 2.83Å
400	S	54.7	Low	57.9	Low	41 Å²	41	101.3 Å²	101.3	29%	0.287	54%	0.541	S	S	.	.	G	3₁₀ helix	trans	-94.1	17.8	-174.5	77.8	0	0	0	0	114	I378 H397 P398 I402	I378-S400 WeakPolarHBondContact CD1-OG 3.11Å; H397-S400 PolarHBondContact O-N 3.37Å; H397-S400 VanDerWaalsContact O-N 3.16Å; H397-S400 PolarHBondContact O-OG 3.46Å; H397-S400 VanDerWaalsContact O-OG 3.06Å; P398-S400 VanDerWaalsContact C-N 3.33Å; P398-S400 PolarHBondContact O-N 3.06Å; S400-I402 VanDerWaalsContact C-N 3.31Å
401	I	51.6	Low	55.4	Low	87 Å²	87	99.9 Å²	99.9	45%	0.446	55%	0.553	S	S	.	*	G	3₁₀ helix	trans	-90.2	-2.8	-175.3	-61.4	175	0	0	0	111.1	I393 R394 T399	I393-I401 HydrophobicContact CG2-CD1 4.41Å; I393-I401 HydrophobicContact CG2-CG1 3.89Å; R394-I401 HydrophobicContact CB-CD1 4.49Å; R394-I401 HydrophobicContact CG-CD1 3.85Å; T399-I401 VanDerWaalsContact C-N 3.34Å; T399-I401 PolarHBondContact O-N 2.83Å
402	I	44.7	Very low	52.9	Low	140 Å²	140	104 Å²	104	72%	0.718	57%	0.574	S	S	*	*	S	Bend	trans	-78.6	-28.9	-166.4	-59.4	175.5	0	0	0	112.6	S400	S400-I402 VanDerWaalsContact C-N 3.31Å
403	D	35.7	Very low	50.3	Low	142 Å²	142	107.4 Å²	107.4	76%	0.759	59%	0.591	S	S	*	*	S	Bend	trans	-94.4	-9.9	-164.2	-54.1	-50.6	0	0	0	115.8	G405	D403-G405 PolarHBondContact O-N 2.85Å
404	D	34.6	Very low	47.8	Very low	147 Å²	147	112.6 Å²	112.6	79%	0.786	62%	0.624	S	S	*	*	S	Bend	trans	-76.4	68.1	175.8	-94.8	-4.5	0	0	0	110.7	V406	D404-V406 PolarHBondContact O-N 3.41Å
405	G	29	Very low	45.1	Very low	75 Å²	75	116.2 Å²	116.2	77%	0.773	64%	0.638	S	S	*	*			trans	-68.2	68.7	-165.3	0	0	0	0	0	118	D403	D403-G405 PolarHBondContact O-N 2.85Å
406	V	32.2	Very low	42.6	Very low	121 Å²	121	114.7 Å²	114.7	73%	0.733	64%	0.636	S	S	*	*	S	Bend	trans	-139.4	114.1	160.5	-176	0	0	0	0	112	D404	D404-V406 PolarHBondContact O-N 3.41Å
407	N	26.8	Very low	39.9	Very low	162 Å²	162	117.6 Å²	117.6	87%	0.866	65%	0.652	S	S	*	*	S	Bend	trans	56	75.2	165.9	-74.4	-34.9	0	0	0	117.4
408	C	30.5	Very low	37.2	Very low	97 Å²	97	122.1 Å²	122.1	66%	0.655	68%	0.677	S	S	*	*			trans	-142.9	85.8	158.8	-153.5	0	0	0	0	112.9	L410 G411	C408-L410 PolarHBondContact O-N 3.46Å; C408-G411 PolarHBondContact O-N 3.31Å
409	K	33.4	Very low	35.2	Very low	160 Å²	160	125.9 Å²	125.9	70%	0.696	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	6.9	165.6	-92.7	-166	174.1	-172.8	0	113.2	D582	K409-D582 IonicContact NZ-OD1 2.8Å; K409-D582 PolarHBondContact NZ-OD1 3.14Å; K409-D582 VanDerWaalsContact NZ-OD1 3.13Å
410	L	34.1	Very low	33.7	Very low	83 Å²	83	130 Å²	130	44%	0.435	70%	0.7	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95	5.1	175.3	-94.3	72.2	0	0	0	113.6	C408 E412 I413	C408-L410 PolarHBondContact O-N 3.46Å; L410-E412 PolarHBondContact O-N 3.13Å; L410-E412 VanDerWaalsContact O-N 3.16Å; L410-I413 HydrophobicContact CG-CD1 4.34Å; L410-I413 PolarHBondContact O-N 3.39Å
411	G	30.8	Very low	32.4	Very low	63 Å²	63	136.3 Å²	136.3	65%	0.649	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61	-20.9	-177.9	0	0	0	0	0	115.4	C408	C408-G411 PolarHBondContact O-N 3.31Å
412	E	30.8	Very low	31.2	Very low	175 Å²	175	137.3 Å²	137.3	82%	0.818	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-13.1	-173.2	-62.3	-179.3	120.6	0	0	114.3	L410	L410-E412 PolarHBondContact O-N 3.13Å; L410-E412 VanDerWaalsContact O-N 3.16Å
413	I	32.2	Very low	30.6	Very low	88 Å²	88	135.4 Å²	135.4	45%	0.451	75%	0.747	S	S	.	*	S	Bend	trans	-88.6	-17	-169.9	-63.1	168.6	0	0	0	112.9	L410 R415 K454	L410-I413 HydrophobicContact CG-CD1 4.34Å; L410-I413 PolarHBondContact O-N 3.39Å; I413-R415 PolarHBondContact O-N 2.98Å; I413-K454 HydrophobicContact CD1-CD 3.99Å
414	V	33.4	Very low	30.2	Very low	136 Å²	136	135.8 Å²	135.8	82%	0.824	75%	0.749	S	S	*	*			trans	-87.3	50.6	-179.3	-161.8	0	0	0	0	111.8
415	R	26.4	Very low	29.9	Very low	232 Å²	232	135.3 Å²	135.3	88%	0.875	75%	0.746	S	S	*	*			trans	-113.6	65.9	163	-77.6	-171.8	178	166.7	1.2	110.3	I413	I413-R415 PolarHBondContact O-N 2.98Å
416	I	32	Very low	29.8	Very low	126 Å²	126	138.4 Å²	138.4	65%	0.646	75%	0.745	S	S	*	*			trans	-122.5	65.9	160.1	-50.2	-177.8	0	0	0	107.5	D418	I416-D418 HydrophobicContact CG2-CB 4.06Å; I416-D418 PolarHBondContact O-N 3.26Å; I416-D418 VanDerWaalsContact O-N 3.1Å
417	N	26.8	Very low	29.6	Very low	168 Å²	168	140.1 Å²	140.1	90%	0.898	75%	0.75	S	S	*	*			trans	-76.9	72.2	158.8	-95.9	0.2	0	0	0	107.3
418	D	28.7	Very low	29.7	Very low	125 Å²	125	139 Å²	139	67%	0.668	75%	0.749	S	S	*	*			trans	-144.9	142.7	179.6	-107.5	-47.8	0	0	0	112.8	I416	I416-D418 HydrophobicContact CG2-CB 4.06Å; I416-D418 PolarHBondContact O-N 3.26Å; I416-D418 VanDerWaalsContact O-N 3.1Å
419	L	29.6	Very low	29.6	Very low	159 Å²	159	137.8 Å²	137.8	83%	0.832	75%	0.753	S	S	*	*	S	Bend	trans	57.2	60.8	164.1	-55.3	179.4	0	0	0	117.9
420	K	29.1	Very low	29.1	Very low	203 Å²	203	137.7 Å²	137.7	88%	0.883	76%	0.76	S	S	*	*			trans	-153	64.9	134.4	-119	167.6	-170.3	177.5	0	114.7
421	M	28.1	Very low	28.7	Very low	173 Å²	173	141.3 Å²	141.3	85%	0.852	78%	0.78	S	S	*	*			trans	-77.1	135.1	159.9	-81.8	-66.4	107.6	0	0	111
422	S	27.1	Very low	28.5	Very low	109 Å²	109	146.7 Å²	146.7	76%	0.762	79%	0.793	S	S	*	*			trans	15.4	109.9	158.4	58	0	0	0	0	119.4
423	A	31.7	Very low	28.4	Very low	99 Å²	99	144.1 Å²	144.1	82%	0.818	79%	0.789	S	S	*	*			trans	-140.6	111.5	143	0	0	0	0	0	108.5
424	N	26.9	Very low	28	Very low	150 Å²	150	147.5 Å²	147.5	80%	0.802	81%	0.808	S	S	*	*			trans	-75.2	130.8	167.7	-63.7	-29.6	0	0	0	108.2
425	N	29	Very low	27.7	Very low	137 Å²	137	148.3 Å²	148.3	73%	0.733	81%	0.806	S	S	*	*				169	126.8	118.6	-82.1	-5.3	0	0	0	110.5
426	D	27.2	Very low	27.6	Very low	141 Å²	141	142.1 Å²	142.1	75%	0.754	80%	0.796	S	S	*	*			trans	44.6	118.1	135.2	-52.6	-23.4	0	0	0	121.1
427	N	26.5	Very low	27.2	Very low	156 Å²	156	143.1 Å²	143.1	83%	0.834	80%	0.802	S	S	*	*				97	147.8	128.9	-125.6	-25.8	0	0	0	120.1
428	V	29.3	Very low	27.2	Very low	139 Å²	139	139.9 Å²	139.9	84%	0.842	78%	0.782	S	S	*	*			trans	63.7	124.5	170.2	-166.8	0	0	0	0	118.1
429	G	27.9	Very low	27	Very low	71 Å²	71	141 Å²	141	73%	0.732	79%	0.793	S	S	*	*			trans	126.8	70.1	146.9	0	0	0	0	0	118	N431	G429-N431 PolarHBondContact O-N 2.68Å
430	N	23.9	Very low	26.9	Very low	159 Å²	159	141.3 Å²	141.3	85%	0.85	78%	0.784	S	S	*	*			trans	-65.6	123.3	159	-69.8	-64.7	0	0	0	109.8
431	N	24.6	Very low	26.9	Very low	159 Å²	159	135.2 Å²	135.2	85%	0.85	77%	0.767	S	S	*	*			trans	174.4	91.9	146.8	-90.8	-25.4	0	0	0	111.1	G429	G429-N431 PolarHBondContact O-N 2.68Å
432	L	27.5	Very low	26.8	Very low	175 Å²	175	135.2 Å²	135.2	92%	0.916	77%	0.767	S	S	*	*			trans	-143	77.5	173.8	-110.5	164.9	0	0	0	112.1
433	V	29	Very low	27	Very low	122 Å²	122	131.8 Å²	131.8	74%	0.739	74%	0.74	S	S	*	*			trans	29.5	117.5	152.3	-170.7	0	0	0	0	118.3	I435	V433-I435 PolarHBondContact O-N 2.82Å; V433-I435 VanDerWaalsContact O-N 3.1Å
434	D	23.5	Very low	27	Very low	159 Å²	159	131 Å²	131	85%	0.85	72%	0.717	S	S	*	*			trans	-57.1	109.7	165.3	-71.9	-71.9	0	0	0	112.3	P436	D434-P436 WeakPolarHBondContact O-CD 3.24Å
435	I	26.2	Very low	27.4	Very low	152 Å²	152	127.8 Å²	127.8	78%	0.779	70%	0.703	S	S	*	*			trans	-85.8	115.8	169.6	-58.8	179.4	0	0	0	108.3	V433	V433-I435 PolarHBondContact O-N 2.82Å; V433-I435 VanDerWaalsContact O-N 3.1Å
436	P	25.1	Very low	27.6	Very low	102 Å²	102	124.8 Å²	124.8	66%	0.662	69%	0.686	S	S	*	*			trans	-62	137.7	-170.6	-26.8	35.9	0	0	0	114.4	D434 H438	D434-P436 WeakPolarHBondContact O-CD 3.24Å; P436-H438 PolarHBondContact O-N 3.32Å
437	N	23.5	Very low	27.9	Very low	147 Å²	147	120.8 Å²	120.8	79%	0.786	67%	0.665	S	S	*	*			trans	-66.4	100.3	170.6	-77.1	-71.9	0	0	0	110.1
438	H	26.4	Very low	28.4	Very low	101 Å²	101	116.1 Å²	116.1	47%	0.468	64%	0.64	S	S	.	*			trans	-112.2	135.1	166	-88.5	1.8	0	0	0	112	K325 P436 Y440	K325-H438 PolarHBondContact NZ-CE1 3.21Å; K325-H438 PolarHBondContact NZ-NE2 3Å; P436-H438 PolarHBondContact O-N 3.32Å; H438-Y440 HydrophobicContact CB-CD2 3.82Å; H438-Y440 HydrophobicContact CB-CE2 3.62Å; H438-Y440 PolarHBondContact O-N 3.34Å
439	T	24.2	Very low	28.9	Very low	148 Å²	148	115.6 Å²	115.6	91%	0.908	63%	0.626	S	S	*	*			trans	-74.3	73.8	-179.9	49.2	0	0	0	0	109.8	S441	T439-S441 PolarHBondContact O-N 3.46Å
440	Y	27.8	Very low	29.5	Very low	166 Å²	166	117.1 Å²	117.1	65%	0.651	62%	0.617	S	S	*	*			trans	-74.3	109.2	-179.4	-88.7	-75.1	0	0	0	111.8	H438	H438-Y440 HydrophobicContact CB-CD2 3.82Å; H438-Y440 HydrophobicContact CB-CE2 3.62Å; H438-Y440 PolarHBondContact O-N 3.34Å
441	S	28.4	Very low	30.1	Very low	74 Å²	74	111.9 Å²	111.9	52%	0.517	59%	0.587	S	S	.	*			trans	-38.4	135.7	131.1	166.7	0	0	0	0	109.4	T439 D443	T439-S441 PolarHBondContact O-N 3.46Å; S441-D443 VanDerWaalsContact CB-OD1 3.27Å; S441-D443 WeakPolarHBondContact CB-OD1 3.29Å; S441-D443 PolarHBondContact O-N 3.2Å; S441-D443 PolarHBondContact OG-OD1 3.1Å
442	M	27.1	Very low	30.7	Very low	174 Å²	174	109.8 Å²	109.8	86%	0.857	57%	0.571	S	S	*	*			trans	-71.5	79.1	169	-77.4	174.9	60.8	0	0	109
443	D	30.5	Very low	31.1	Very low	36 Å²	36	107.8 Å²	107.8	19%	0.193	56%	0.558	C	S	.	*			trans	-66.9	141.8	173	-81.9	30.7	0	0	0	109.2	K316 S441 T445 D446	K316-D443 IonicContact NZ-OD2 3.02Å; K316-D443 PolarHBondContact NZ-OD2 3.12Å; S441-D443 VanDerWaalsContact CB-OD1 3.27Å; S441-D443 WeakPolarHBondContact CB-OD1 3.29Å; S441-D443 PolarHBondContact O-N 3.2Å; S441-D443 PolarHBondContact OG-OD1 3.1Å; D443-T445 PolarHBondContact O-N 2.9Å; D443-D446 PolarHBondContact O-N 2.97Å
444	Y	31.8	Very low	31.4	Very low	83 Å²	83	104.2 Å²	104.2	33%	0.325	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-20.5	-167	-163.8	-93.6	0	0	0	114.5	D446 N447 I448 Q587	Y444-D446 VanDerWaalsContact C-N 3.32Å; Y444-D446 PolarHBondContact O-N 2.98Å; Y444-N447 WeakPolarHBondContact O-CB 3.26Å; Y444-N447 PolarHBondContact O-N 3.44Å; Y444-I448 HydrophobicContact CD1-CD1 3.63Å; Y444-I448 HydrophobicContact CD1-CG1 3.8Å; Y444-I448 HydrophobicContact CE1-CD1 3.83Å; Y444-I448 HydrophobicContact CE1-CG1 3.78Å; Y444-I448 PolarHBondContact O-N 3.34Å; Y444-Q587 HydrophobicContact CE1-CB 4.19Å; Y444-Q587 VanDerWaalsContact CE1-OE1 3.31Å; Y444-Q587 VanDerWaalsContact CZ-CD 3.49Å; Y444-Q587 VanDerWaalsContact CZ-OE1 3.29Å; Y444-Q587 WeakPolarHBondContact OH-CG 3.5Å; Y444-Q587 PolarHBondContact OH-NE2 3.43Å; Y444-Q587 PolarHBondContact OH-OE1 2.83Å
445	T	35.1	Very low	31.8	Very low	83 Å²	83	104.3 Å²	104.3	51%	0.509	52%	0.522	S	S	.	.	H	α-helix	trans	-58.1	-33.2	178.9	45.5	0	0	0	0	115.1	D443 I448 K449	D443-T445 PolarHBondContact O-N 2.9Å; T445-I448 PolarHBondContact O-N 3.21Å; T445-K449 PolarHBondContact O-N 2.88Å; T445-K449 VanDerWaalsContact O-N 3.15Å
446	D	34.3	Very low	32.6	Very low	73 Å²	73	103 Å²	103	39%	0.39	52%	0.516	S	S	.	.	H	α-helix	trans	-79.1	-25.3	-179.8	-70.9	-24.3	0	0	0	112.1	D443 Y444 K449 L450	D443-D446 PolarHBondContact O-N 2.97Å; Y444-D446 VanDerWaalsContact C-N 3.32Å; Y444-D446 PolarHBondContact O-N 2.98Å; D446-K449 PolarHBondContact O-N 2.87Å; D446-K449 IonicContact OD1-NZ 3.72Å; D446-K449 PolarHBondContact OD1-NZ 2.85Å; D446-L450 PolarHBondContact O-N 2.85Å
447	N	32.9	Very low	33.1	Very low	57 Å²	57	106.4 Å²	106.4	31%	0.305	52%	0.517	S	S	.	.	H	α-helix	trans	-70.7	-40.1	170.1	-153.6	7.2	0	0	0	110.8	Y444 K449 L450 Q451	Y444-N447 WeakPolarHBondContact O-CB 3.26Å; Y444-N447 PolarHBondContact O-N 3.44Å; N447-K449 VanDerWaalsContact C-N 3.29Å; N447-K449 PolarHBondContact O-N 3.44Å; N447-L450 PolarHBondContact O-N 2.94Å; N447-Q451 PolarHBondContact O-N 3.47Å
448	I	37.5	Very low	33.7	Very low	58 Å²	58	105 Å²	105	30%	0.297	51%	0.505	S	S	.	.	H	α-helix	trans	-59.6	-36.9	171.9	-68.4	175.6	0	0	0	111.8	Y444 T445 K452	Y444-I448 HydrophobicContact CD1-CD1 3.63Å; Y444-I448 HydrophobicContact CD1-CG1 3.8Å; Y444-I448 HydrophobicContact CE1-CD1 3.83Å; Y444-I448 HydrophobicContact CE1-CG1 3.78Å; Y444-I448 PolarHBondContact O-N 3.34Å; T445-I448 PolarHBondContact O-N 3.21Å; I448-K452 HydrophobicContact CG2-CD 4.31Å; I448-K452 HydrophobicContact CG2-CG 4.46Å; I448-K452 WeakPolarHBondContact O-CB 3.2Å; I448-K452 WeakPolarHBondContact O-CG 3.4Å; I448-K452 PolarHBondContact O-N 2.87Å
449	K	39.4	Very low	34.2	Very low	129 Å²	129	105 Å²	105	56%	0.561	51%	0.509	S	S	*	.	H	α-helix	trans	-64.9	-43.1	175.3	-72	172.7	-169	157.2	0	112.2	T445 D446 N447 K452 M453	T445-K449 PolarHBondContact O-N 2.88Å; T445-K449 VanDerWaalsContact O-N 3.15Å; D446-K449 PolarHBondContact O-N 2.87Å; D446-K449 IonicContact OD1-NZ 3.72Å; D446-K449 PolarHBondContact OD1-NZ 2.85Å; N447-K449 VanDerWaalsContact C-N 3.29Å; N447-K449 PolarHBondContact O-N 3.44Å; K449-K452 PolarHBondContact O-N 3.1Å; K449-M453 PolarHBondContact O-N 3.18Å
450	L	40.7	Very low	34.7	Very low	103 Å²	103	99.6 Å²	99.6	54%	0.539	48%	0.482	S	S	.	.	H	α-helix	trans	-63.1	-46.8	176	-79.3	160.6	0	0	0	111.6	D446 N447 K452 M453 K454	D446-L450 PolarHBondContact O-N 2.85Å; N447-L450 PolarHBondContact O-N 2.94Å; L450-K452 VanDerWaalsContact C-N 3.32Å; L450-K452 PolarHBondContact O-N 3.26Å; L450-M453 PolarHBondContact O-N 3.46Å; L450-M453 VanDerWaalsContact O-N 3.15Å; L450-K454 PolarHBondContact O-N 2.78Å
451	Q	36.8	Very low	34.8	Very low	49 Å²	49	99.1 Å²	99.1	23%	0.229	49%	0.491	C	S	.	.	H	α-helix	trans	-61.8	-37	175.3	-73.3	176.6	-38.6	0	0	112.6	N447 K454 Y455	N447-Q451 PolarHBondContact O-N 3.47Å; Q451-K454 PolarHBondContact O-N 3.29Å; Q451-Y455 PolarHBondContact O-N 2.99Å
452	K	37.8	Very low	34.9	Very low	115 Å²	115	103.2 Å²	103.2	50%	0.5	50%	0.502	S	S	.	.	H	α-helix	trans	-68.2	-32.9	173.8	-78.1	-171.7	174.1	-166.8	0	113.4	I448 K449 L450 I456	I448-K452 HydrophobicContact CG2-CD 4.31Å; I448-K452 HydrophobicContact CG2-CG 4.46Å; I448-K452 WeakPolarHBondContact O-CB 3.2Å; I448-K452 WeakPolarHBondContact O-CG 3.4Å; I448-K452 PolarHBondContact O-N 2.87Å; K449-K452 PolarHBondContact O-N 3.1Å; L450-K452 VanDerWaalsContact C-N 3.32Å; L450-K452 PolarHBondContact O-N 3.26Å; K452-I456 WeakPolarHBondContact O-CD1 3.19Å; K452-I456 VanDerWaalsContact O-CG1 3.26Å; K452-I456 WeakPolarHBondContact O-CG1 3.47Å; K452-I456 PolarHBondContact O-N 3.38Å
453	M	35.4	Very low	35	Very low	133 Å²	133	100.5 Å²	100.5	66%	0.655	50%	0.495	S	S	*	.	H	α-helix	trans	-69.7	-41.8	171.1	-80.4	-176.9	159.1	0	0	111.9	K449 L450 I456 Y457	K449-M453 PolarHBondContact O-N 3.18Å; L450-M453 PolarHBondContact O-N 3.46Å; L450-M453 VanDerWaalsContact O-N 3.15Å; M453-I456 PolarHBondContact O-N 2.96Å; M453-Y457 PolarHBondContact O-N 3.15Å
454	K	35.8	Very low	34.9	Very low	47 Å²	47	106.3 Å²	106.3	20%	0.204	53%	0.526	C	S	.	.	H	α-helix	trans	-58	-50.9	176.3	-179.1	174.1	175.5	-68.1	0	111.8	I413 L450 Q451 I456 Y457 E458 E585	I413-K454 HydrophobicContact CD1-CD 3.99Å; L450-K454 PolarHBondContact O-N 2.78Å; Q451-K454 PolarHBondContact O-N 3.29Å; K454-I456 VanDerWaalsContact C-N 3.27Å; K454-I456 PolarHBondContact O-N 3.2Å; K454-Y457 PolarHBondContact O-N 3.05Å; K454-Y457 VanDerWaalsContact O-N 3.11Å; K454-E458 WeakPolarHBondContact CE-OE1 3.41Å; K454-E458 VanDerWaalsContact CG-CD 3.41Å; K454-E458 HydrophobicContact CG-CG 4.28Å; K454-E458 WeakPolarHBondContact CG-OE1 3.27Å; K454-E458 WeakPolarHBondContact CG-OE2 3.43Å; K454-E458 VanDerWaalsContact NZ-CD 3.29Å; K454-E458 IonicContact NZ-OE1 2.79Å; K454-E458 PolarHBondContact NZ-OE1 3.11Å; K454-E458 IonicContact NZ-OE2 3.62Å; K454-E458 PolarHBondContact NZ-OE2 3.19Å; K454-E458 WeakPolarHBondContact O-CG 3.37Å; K454-E458 PolarHBondContact O-N 3.05Å; K454-E585 IonicContact NZ-OE1 3.23Å; K454-E585 PolarHBondContact NZ-OE1 2.89Å; K454-E585 IonicContact NZ-OE2 3.14Å
455	Y	32.2	Very low	34.8	Very low	160 Å²	160	108.2 Å²	108.2	63%	0.627	55%	0.55	S	S	*	*	H	α-helix	trans	-61	-30.7	179.1	-171.6	-88.5	0	0	0	114.2	Q451 N459	Q451-Y455 PolarHBondContact O-N 2.99Å; Y455-N459 PolarHBondContact O-N 3.48Å; Y455-N459 PolarHBondContact O-ND2 2.88Å
456	I	42.3	Very low	34.5	Very low	125 Å²	125	112.1 Å²	112.1	64%	0.641	57%	0.568	S	S	*	*	H	α-helix	trans	-74	-35.7	176.7	-70	167.7	0	0	0	111.5	K452 M453 K454	K452-I456 WeakPolarHBondContact O-CD1 3.19Å; K452-I456 VanDerWaalsContact O-CG1 3.26Å; K452-I456 WeakPolarHBondContact O-CG1 3.47Å; K452-I456 PolarHBondContact O-N 3.38Å; M453-I456 PolarHBondContact O-N 2.96Å; K454-I456 VanDerWaalsContact C-N 3.27Å; K454-I456 PolarHBondContact O-N 3.2Å
457	Y	34.6	Very low	34	Very low	174 Å²	174	116.3 Å²	116.3	68%	0.682	59%	0.588	S	S	*	*	H	α-helix	trans	-75	-43.3	175.6	-99.3	-89.9	0	0	0	112.5	M453 K454 N459	M453-Y457 PolarHBondContact O-N 3.15Å; K454-Y457 PolarHBondContact O-N 3.05Å; K454-Y457 VanDerWaalsContact O-N 3.11Å; Y457-N459 VanDerWaalsContact C-N 3.31Å; Y457-N459 PolarHBondContact O-N 2.79Å
458	E	37.4	Very low	33.8	Very low	118 Å²	118	119.1 Å²	119.1	55%	0.551	61%	0.61	S	S	*	*	H	α-helix	trans	-73.9	-18.9	-173.5	-70.1	173.8	165.7	0	0	113.9	K454	K454-E458 WeakPolarHBondContact CE-OE1 3.41Å; K454-E458 VanDerWaalsContact CG-CD 3.41Å; K454-E458 HydrophobicContact CG-CG 4.28Å; K454-E458 WeakPolarHBondContact CG-OE1 3.27Å; K454-E458 WeakPolarHBondContact CG-OE2 3.43Å; K454-E458 VanDerWaalsContact NZ-CD 3.29Å; K454-E458 IonicContact NZ-OE1 2.79Å; K454-E458 PolarHBondContact NZ-OE1 3.11Å; K454-E458 IonicContact NZ-OE2 3.62Å; K454-E458 PolarHBondContact NZ-OE2 3.19Å; K454-E458 WeakPolarHBondContact O-CG 3.37Å; K454-E458 PolarHBondContact O-N 3.05Å
459	N	36.6	Very low	33.3	Very low	100 Å²	100	122.4 Å²	122.4	54%	0.535	64%	0.638	S	S	.	*	T	Hydrogen-bonded Turn	trans	-115.5	14.2	178.8	-60.4	-76.3	0	0	0	113.6	Y455 Y457	Y455-N459 PolarHBondContact O-N 3.48Å; Y455-N459 PolarHBondContact O-ND2 2.88Å; Y457-N459 VanDerWaalsContact C-N 3.31Å; Y457-N459 PolarHBondContact O-N 2.79Å
460	G	35.3	Very low	32.5	Very low	34 Å²	34	124.5 Å²	124.5	35%	0.351	65%	0.652	S	S	.	*			trans	-78.3	118.2	172.3	0	0	0	0	0	111.1	H462	G460-H462 PolarHBondContact O-CD2 3.34Å; G460-H462 VanDerWaalsContact O-CD2 3.23Å; G460-H462 PolarHBondContact O-N 3.25Å
461	N	29	Very low	31.8	Very low	156 Å²	156	128.5 Å²	128.5	83%	0.834	67%	0.668	S	S	*	*			trans	-65.6	89.7	177.5	-85.6	-22.6	0	0	0	111.8	T463	N461-T463 PolarHBondContact O-N 2.88Å
462	H	31.5	Very low	31.4	Very low	161 Å²	161	135.6 Å²	135.6	75%	0.745	70%	0.698	S	S	*	*			trans	-77	63	174.8	-76.8	-76.1	0	0	0	112.5	G460	G460-H462 PolarHBondContact O-CD2 3.34Å; G460-H462 VanDerWaalsContact O-CD2 3.23Å; G460-H462 PolarHBondContact O-N 3.25Å
463	T	28.4	Very low	31	Very low	116 Å²	116	137 Å²	137	71%	0.712	71%	0.711	S	S	*	*			trans	-75	136.2	159.1	52.1	0	0	0	0	109.5	N461	N461-T463 PolarHBondContact O-N 2.88Å
464	N	28.1	Very low	30.9	Very low	159 Å²	159	135 Å²	135	85%	0.85	71%	0.708	S	S	*	*			trans	71.3	85.7	-171.8	-59.6	-20.4	0	0	0	116
465	C	30	Very low	30.4	Very low	123 Å²	123	141.3 Å²	141.3	83%	0.831	74%	0.741	S	S	*	*			trans	-158	108.3	140.5	-115.4	0	0	0	0	110
466	N	29.2	Very low	30.4	Very low	164 Å²	164	142.3 Å²	142.3	88%	0.877	75%	0.748	S	S	*	*			trans	-82.8	141.7	175.4	-78.7	-22	0	0	0	110.8
467	I	24	Very low	29.6	Very low	161 Å²	161	142.7 Å²	142.7	83%	0.826	75%	0.751	S	S	*	*			trans	-121.8	120.2	171.3	-54.2	175	0	0	0	109.2
468	P	28.9	Very low	29.1	Very low	116 Å²	116	142.4 Å²	142.4	75%	0.753	76%	0.758	S	S	*	*			trans	-104.8	166	159.8	-3.6	25.2	0	0	0	112.5
469	S	26.1	Very low	28.7	Very low	128 Å²	128	142.5 Å²	142.5	90%	0.895	77%	0.766	S	S	*	*			trans	-95.1	-178.3	-164.5	-53.2	0	0	0	0	116.2
470	M	23.5	Very low	28.2	Very low	173 Å²	173	143.2 Å²	143.2	85%	0.852	77%	0.774	S	S	*	*			trans	-73.5	152.9	-169	-55.5	154.6	60.1	0	0	115.7
471	E	26.1	Very low	27.8	Very low	187 Å²	187	146.4 Å²	146.4	87%	0.874	79%	0.791	S	S	*	*			trans	-158.9	-168.3	133	-120.9	171.7	-172.7	0	0	112.7
472	F	28.4	Very low	27.8	Very low	198 Å²	198	143.6 Å²	143.6	87%	0.868	78%	0.784	S	S	*	*			trans	-96.2	171.4	-142.7	-96.5	-106.2	0	0	0	120.8
473	D	28.6	Very low	27.6	Very low	143 Å²	143	140.5 Å²	140.5	77%	0.765	78%	0.78	S	S	*	*			trans	-85.7	-168.8	-178.3	-157.8	27.6	0	0	0	112.7
474	P	33.3	Very low	27.8	Very low	92 Å²	92	140.1 Å²	140.1	60%	0.597	78%	0.782	S	S	*	*			cis	-129.6	174.3	-25.1	11	15.7	0	0	0	117
475	M	26.1	Very low	27.9	Very low	180 Å²	180	137 Å²	137	89%	0.887	77%	0.773	S	S	*	*			trans	36.3	131.8	150.5	-59.5	-170.7	-165.6	0	0	122.5
476	K	30.6	Very low	27.7	Very low	181 Å²	181	138.8 Å²	138.8	79%	0.787	77%	0.773	S	S	*	*				160.5	126.8	90.7	-162.1	175.7	-169.3	-179.3	0	115.9
477	L	25.6	Very low	27.8	Very low	132 Å²	132	137 Å²	137	69%	0.691	77%	0.774	S	S	*	*			trans	63.5	137.4	154.4	-78.2	170.3	0	0	0	123.4
478	M	24.9	Very low	28	Very low	168 Å²	168	134.5 Å²	134.5	83%	0.828	77%	0.771	S	S	*	*			trans	70.3	144.3	150.6	-69.4	-179.4	177	0	0	118.4
479	V	28.2	Very low	28.2	Very low	120 Å²	120	135 Å²	135	73%	0.727	77%	0.774	S	S	*	*			cis	-146.2	-178.5	-3.3	99.4	0	0	0	0	111.5
480	T	25.6	Very low	28.4	Very low	115 Å²	115	135 Å²	135	71%	0.706	77%	0.774	S	S	*	*			trans	-42.3	161.8	176.4	65	0	0	0	0	114.5
481	S	27.2	Very low	28.5	Very low	101 Å²	101	135.5 Å²	135.5	71%	0.706	77%	0.771	S	S	*	*			cis	178.7	167.9	34.4	1.8	0	0	0	0	106.8
482	S	28.8	Very low	28.6	Very low	97 Å²	97	135.3 Å²	135.3	68%	0.678	78%	0.775	S	S	*	*			cis	-169.2	-177	-9.8	49.4	0	0	0	0	107.8
483	S	28.9	Very low	28.4	Very low	96 Å²	96	132.2 Å²	132.2	67%	0.671	77%	0.766	S	S	*	*			trans	39.5	126.8	145.2	59.3	0	0	0	0	119.2
484	S	31.1	Very low	28.3	Very low	108 Å²	108	133 Å²	133	76%	0.755	77%	0.77	S	S	*	*			cis	158.4	162.8	35.8	35.2	0	0	0	0	106.3
485	S	30.3	Very low	27.9	Very low	95 Å²	95	133.9 Å²	133.9	66%	0.664	77%	0.773	S	S	*	*			cis	-170.3	151.1	-6.3	42.5	0	0	0	0	110.3
486	L	27.1	Very low	27.9	Very low	159 Å²	159	130 Å²	130	83%	0.832	76%	0.764	S	S	*	*			trans	34.9	117	138	-59.7	162.5	0	0	0	119.7
487	S	30.5	Very low	27.7	Very low	126 Å²	126	127 Å²	127	88%	0.881	76%	0.761	S	S	*	*				-166	155.1	114.8	32.9	0	0	0	0	111.8
488	S	27.7	Very low	27.9	Very low	110 Å²	110	126.9 Å²	126.9	77%	0.769	77%	0.766	S	S	*	*			trans	-109.2	162.7	-165.1	-58.6	0	0	0	0	112
489	P	32.9	Very low	28.1	Very low	126 Å²	126	124.3 Å²	124.3	82%	0.818	76%	0.764	S	S	*	*			trans	-79.6	163.2	-165.1	32.5	-37.2	0	0	0	114.3
490	S	30.8	Very low	28	Very low	127 Å²	127	125 Å²	125	89%	0.888	77%	0.769	S	S	*	*			trans	-146.6	156.5	166.9	-84.2	0	0	0	0	112.2
491	K	26.6	Very low	28.2	Very low	185 Å²	185	125.2 Å²	125.2	80%	0.804	78%	0.775	S	S	*	*			trans	-78.1	146.5	-168.6	-55.8	169	-177.1	171.5	0	112.1
492	L	27.3	Very low	28.2	Very low	182 Å²	182	127.6 Å²	127.6	95%	0.953	78%	0.78	S	S	*	*			trans	-128	151.8	146.2	-80.2	176.8	0	0	0	109.8
493	I	23.6	Very low	28	Very low	134 Å²	134	127.9 Å²	127.9	69%	0.687	78%	0.782	S	S	*	*			trans	-127.3	127.3	-171.2	-62.4	168.7	0	0	0	108.8
494	L	27.5	Very low	28	Very low	160 Å²	160	132.7 Å²	132.7	84%	0.838	79%	0.791	S	S	*	*			trans	-135.4	109	154.2	-71	171.4	0	0	0	104.9
495	T	24.9	Very low	27.7	Very low	109 Å²	109	135.6 Å²	135.6	67%	0.669	80%	0.795	S	S	*	*				54.7	127.6	80.7	68	0	0	0	0	112.2
496	S	25.9	Very low	27.4	Very low	98 Å²	98	137.4 Å²	137.4	69%	0.685	80%	0.795	S	S	*	*			cis	-159.4	167.5	26.3	56.7	0	0	0	0	113.6
497	T	26.9	Very low	27.3	Very low	118 Å²	118	135.3 Å²	135.3	72%	0.724	79%	0.79	S	S	*	*			trans	39.6	133.4	142.7	56	0	0	0	0	120.1
498	T	29.6	Very low	27	Very low	130 Å²	130	140.2 Å²	140.2	80%	0.798	79%	0.789	S	S	*	*			cis	-174	166.9	13.5	10.1	0	0	0	0	107
499	S	29	Very low	26.8	Very low	114 Å²	114	140 Å²	140	80%	0.797	79%	0.787	S	S	*	*			cis	-153.5	160.6	0.6	43.4	0	0	0	0	110
500	T	25.3	Very low	26.4	Very low	134 Å²	134	137.7 Å²	137.7	82%	0.822	78%	0.779	S	S	*	*			trans	-97.2	149.5	177.8	51.9	0	0	0	0	112.6
501	S	31.2	Very low	26.3	Very low	120 Å²	120	137 Å²	137	84%	0.839	77%	0.769	S	S	*	*				179.7	148.5	125.2	41.6	0	0	0	0	115.5
502	N	25.6	Very low	26.5	Very low	152 Å²	152	136.6 Å²	136.6	81%	0.813	77%	0.767	S	S	*	*			trans	-60.3	153	-176.3	-47.4	-38.7	0	0	0	115.4
503	S	25.2	Very low	26.3	Very low	102 Å²	102	135.9 Å²	135.9	71%	0.713	75%	0.752	S	S	*	*				159.2	158.1	111.1	-69.8	0	0	0	0	114.2
504	K	29.6	Very low	26.3	Very low	198 Å²	198	136.1 Å²	136.1	86%	0.861	75%	0.754	S	S	*	*			trans	72.4	133.9	171.2	-52.8	163.1	-170.9	173.5	0	113.3
505	M	23.8	Very low	26.3	Very low	169 Å²	169	136 Å²	136	83%	0.833	76%	0.755	S	S	*	*			cis	78.6	132.7	24.8	-144.1	-161.7	179.4	0	0	114.4
506	I	25.2	Very low	26.4	Very low	132 Å²	132	139 Å²	139	68%	0.677	76%	0.763	S	S	*	*			trans	82.7	94.6	166	-64.4	159.6	0	0	0	118.8
507	T	24	Very low	26.4	Very low	116 Å²	116	142.1 Å²	142.1	71%	0.712	77%	0.772	S	S	*	*			trans	63.1	148	135.1	69.6	0	0	0	0	125.5
508	R	23.5	Very low	26.4	Very low	229 Å²	229	144 Å²	144	86%	0.864	77%	0.773	S	S	*	*			trans	75.3	112	138.4	-85	175.5	175	174.9	-1.4	121.6
509	S	25.3	Very low	26.2	Very low	104 Å²	104	147.9 Å²	147.9	73%	0.727	78%	0.779	S	S	*	*				83.6	107	121.3	-58.8	0	0	0	0	122.5
510	A	23.6	Very low	26	Very low	79 Å²	79	149.1 Å²	149.1	65%	0.653	78%	0.777	S	S	*	*				76.3	176.2	128.3	0	0	0	0	0	120.4
511	V	27.7	Very low	26	Very low	113 Å²	113	152.1 Å²	152.1	69%	0.685	77%	0.774	S	S	*	*			trans	98.1	100.1	168.6	-172.6	0	0	0	0	117.3
512	K	30.9	Very low	25.8	Very low	175 Å²	175	154.4 Å²	154.4	76%	0.761	77%	0.771	S	S	*	*			trans	67.5	159.1	151.2	-66	168.9	-167	170.9	0	117.8
513	R	24.6	Very low	25.8	Very low	167 Å²	167	156 Å²	156	63%	0.63	77%	0.774	S	S	*	*			cis	178.8	143.8	-39.1	-113	178.2	-167.1	152.9	0.5	104.9
514	N	23.8	Very low	26	Very low	139 Å²	139	156.1 Å²	156.1	74%	0.743	77%	0.765	S	S	*	*			trans	52.9	104.9	162.2	-54.2	8.2	0	0	0	117.3
515	D	26.3	Very low	25.9	Very low	159 Å²	159	148.7 Å²	148.7	85%	0.85	75%	0.745	S	S	*	*			trans	-158.6	169.6	135.3	-106.3	-32.5	0	0	0	110.2
516	M	28.3	Very low	26.2	Very low	170 Å²	170	148.5 Å²	148.5	84%	0.837	75%	0.747	S	S	*	*			trans	69.7	33.8	-177.7	-52.6	-58.1	166.2	0	0	116.8	H518	M516-H518 VanDerWaalsContact C-N 3.31Å; M516-H518 PolarHBondContact O-N 3.18Å
517	N	25	Very low	26.5	Very low	165 Å²	165	149.6 Å²	149.6	88%	0.882	75%	0.754	S	S	*	*			trans	-87.6	71.6	149	-95	-10.2	0	0	0	109.2
518	H	25.9	Very low	27.1	Very low	157 Å²	157	149.2 Å²	149.2	73%	0.727	75%	0.745	S	S	*	*			trans	-148.3	85.5	176	-116.5	51.6	0	0	0	112.4	M516	M516-H518 VanDerWaalsContact C-N 3.31Å; M516-H518 PolarHBondContact O-N 3.18Å
519	F	26.2	Very low	28	Very low	211 Å²	211	141.9 Å²	141.9	93%	0.925	73%	0.725	S	S	*	*	S	Bend	trans	-118.8	135	145.6	-93.8	-88.3	0	0	0	106.6	Y521	F519-Y521 PolarHBondContact O-N 2.83Å
520	N	25.4	Very low	28.9	Very low	141 Å²	141	139.1 Å²	139.1	75%	0.754	70%	0.702	S	S	*	*			trans	-64.1	126.6	-161.1	-66.4	-15.5	0	0	0	112.2	H522	N520-H522 PolarHBondContact O-N 2.76Å
521	Y	24.7	Very low	30	Very low	197 Å²	197	139.8 Å²	139.8	77%	0.773	70%	0.695	S	S	*	*			trans	-63.1	113.9	151.8	-87.1	-100.3	0	0	0	107.3	F519	F519-Y521 PolarHBondContact O-N 2.83Å
522	H	26.8	Very low	30.8	Very low	168 Å²	168	136.8 Å²	136.8	78%	0.778	68%	0.675	S	S	*	*			trans	-71.4	129.6	156.6	-126.7	-74.5	0	0	0	107.2	N520 I524	N520-H522 PolarHBondContact O-N 2.76Å; H522-I524 PolarHBondContact O-N 3.43Å
523	E	25.1	Very low	31.3	Very low	185 Å²	185	129.1 Å²	129.1	86%	0.864	64%	0.643	S	S	*	*			trans	-67.5	102.3	173.5	-66.2	-176.5	133.9	0	0	108.8	G525	E523-G525 VanDerWaalsContact C-N 3.31Å; E523-G525 PolarHBondContact O-N 3.31Å
524	I	29.3	Very low	32.2	Very low	104 Å²	104	123.3 Å²	123.3	53%	0.533	62%	0.622	S	S	.	*			trans	-73.2	90.4	173.9	-61.8	-178.3	0	0	0	107	H522 H528	H522-I524 PolarHBondContact O-N 3.43Å; I524-H528 VanDerWaalsContact CG2-CD2 3.42Å; I524-H528 WeakPolarHBondContact CG2-CD2 3.37Å
525	G	28.7	Very low	33.4	Very low	42 Å²	42	122.9 Å²	122.9	43%	0.433	61%	0.613	S	S	.	*			trans	-65.4	165.3	-178.1	0	0	0	0	0	113.5	E523 N527 H528	E523-G525 VanDerWaalsContact C-N 3.31Å; E523-G525 PolarHBondContact O-N 3.31Å; G525-N527 PolarHBondContact O-N 3.41Å; G525-H528 PolarHBondContact O-CD2 2.8Å
526	N	30.6	Very low	34.2	Very low	166 Å²	166	117.4 Å²	117.4	89%	0.888	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	15	-167	-63.6	-28.7	0	0	0	116.9
527	N	31.5	Very low	34.6	Very low	154 Å²	154	110.4 Å²	110.4	82%	0.824	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.8	18.9	-169.6	-70	-13.2	0	0	0	114.4	G525	G525-N527 PolarHBondContact O-N 3.41Å
528	H	36.5	Very low	35.2	Very low	109 Å²	109	107.9 Å²	107.9	51%	0.505	54%	0.537	S	S	.	.			trans	-84.4	142.1	-177.1	-84.1	-67.1	0	0	0	114.4	I524 G525 D532	I524-H528 VanDerWaalsContact CG2-CD2 3.42Å; I524-H528 WeakPolarHBondContact CG2-CD2 3.37Å; G525-H528 PolarHBondContact O-CD2 2.8Å; H528-D532 HydrophobicContact CB-CB 4.12Å; H528-D532 IonicContact CG-OD2 3.53Å; H528-D532 IonicContact ND1-OD2 3.43Å; H528-D532 PolarHBondContact ND1-OD2 2.74Å; H528-D532 VanDerWaalsContact ND1-OD2 3.16Å
529	T	42.9	Very low	35.5	Very low	75 Å²	75	107.4 Å²	107.4	46%	0.46	54%	0.539	S	S	.	.			trans	-83.7	163.7	-179.3	65.4	0	0	0	0	111.9	D531 D532 V533	T529-D531 PolarHBondContact O-N 2.93Å; T529-D532 PolarHBondContact N-OD2 3.39Å; T529-D532 WeakPolarHBondContact O-CB 3.48Å; T529-D532 PolarHBondContact O-N 2.96Å; T529-D532 PolarHBondContact OG1-N 3.4Å; T529-D532 PolarHBondContact OG1-OD2 2.81Å; T529-V533 PolarHBondContact O-N 3.2Å; T529-V533 VanDerWaalsContact O-N 3.14Å
530	L	42.9	Very low	35.7	Very low	46 Å²	46	99.6 Å²	99.6	24%	0.241	51%	0.509	C	S	.	.	H	α-helix	trans	-55.3	-33	173.7	-179.2	61.6	0	0	0	112.2	V533 K534 N560	L530-V533 PolarHBondContact O-N 3.29Å; L530-K534 HydrophobicContact CG-CD 4.16Å; L530-K534 WeakPolarHBondContact O-CB 3.49Å; L530-K534 VanDerWaalsContact O-CG 3.29Å; L530-K534 WeakPolarHBondContact O-CG 3.25Å; L530-K534 PolarHBondContact O-N 2.85Å; L530-N560 WeakPolarHBondContact CD2-OD1 3.29Å
531	D	47.7	Very low	36	Very low	93 Å²	93	97.1 Å²	97.1	50%	0.497	50%	0.501	S	S	.	.	H	α-helix	trans	-72.6	-27.1	177.7	-67.9	-26.4	0	0	0	113.1	T529 K535	T529-D531 PolarHBondContact O-N 2.93Å; D531-K535 WeakPolarHBondContact O-CD 3.36Å; D531-K535 WeakPolarHBondContact O-CG 3.44Å; D531-K535 PolarHBondContact O-N 3.41Å
532	D	44.6	Very low	36.3	Very low	49 Å²	49	90.6 Å²	90.6	26%	0.262	48%	0.481	S	S	.	.	H	α-helix	trans	-75.3	-35.9	172.9	-54.4	-42.1	0	0	0	111.3	H528 T529 K535 S536	H528-D532 HydrophobicContact CB-CB 4.12Å; H528-D532 IonicContact CG-OD2 3.53Å; H528-D532 IonicContact ND1-OD2 3.43Å; H528-D532 PolarHBondContact ND1-OD2 2.74Å; H528-D532 VanDerWaalsContact ND1-OD2 3.16Å; T529-D532 PolarHBondContact N-OD2 3.39Å; T529-D532 WeakPolarHBondContact O-CB 3.48Å; T529-D532 PolarHBondContact O-N 2.96Å; T529-D532 PolarHBondContact OG1-N 3.4Å; T529-D532 PolarHBondContact OG1-OD2 2.81Å; D532-K535 IonicContact OD1-NZ 3.48Å; D532-K535 PolarHBondContact OD1-NZ 3.5Å; D532-S536 PolarHBondContact O-N 2.95Å; D532-S536 VanDerWaalsContact O-N 3.11Å; D532-S536 PolarHBondContact O-OG 2.96Å
533	V	40.9	Very low	36.7	Very low	15 Å²	15	88.3 Å²	88.3	9%	0.091	48%	0.475	C	S	.	.	H	α-helix	trans	-64.3	-45.8	170.7	-179.9	0	0	0	0	110.3	T529 L530 K535 S536 V537 L552 L564	T529-V533 PolarHBondContact O-N 3.2Å; T529-V533 VanDerWaalsContact O-N 3.14Å; L530-V533 PolarHBondContact O-N 3.29Å; V533-K535 PolarHBondContact O-N 3.47Å; V533-S536 WeakPolarHBondContact CA-OG 3.36Å; V533-S536 PolarHBondContact O-N 2.9Å; V533-S536 PolarHBondContact O-OG 3.23Å; V533-S536 VanDerWaalsContact O-OG 3.05Å; V533-V537 HydrophobicContact CG1-CG2 4.33Å; V533-V537 WeakPolarHBondContact O-CG2 3.49Å; V533-V537 PolarHBondContact O-N 3.16Å; V533-L552 HydrophobicContact CG1-CD1 4.39Å; V533-L552 HydrophobicContact CG1-CD2 3.98Å; V533-L552 HydrophobicContact CG2-CD2 4.25Å; V533-L564 HydrophobicContact CG1-CD1 4.33Å
534	K	43.3	Very low	37.1	Very low	44 Å²	44	82.3 Å²	82.3	19%	0.191	45%	0.453	C	S	.	.	H	α-helix	trans	-58.9	-44.5	175.7	-75.2	167.6	176	170.8	0	112.4	L530 S536 H538 E563	L530-K534 HydrophobicContact CG-CD 4.16Å; L530-K534 WeakPolarHBondContact O-CB 3.49Å; L530-K534 VanDerWaalsContact O-CG 3.29Å; L530-K534 WeakPolarHBondContact O-CG 3.25Å; L530-K534 PolarHBondContact O-N 2.85Å; K534-S536 PolarHBondContact O-N 3.41Å; K534-H538 PolarHBondContact O-CD2 3.03Å; K534-E563 WeakPolarHBondContact CE-OE1 3.4Å; K534-E563 IonicContact NZ-OE1 3.3Å; K534-E563 PolarHBondContact NZ-OE1 3.31Å
535	K	49.8	Very low	37.7	Very low	130 Å²	130	78.4 Å²	78.4	57%	0.565	44%	0.435	S	S	*	.	H	α-helix	trans	-62.9	-37.2	176.6	-71.9	162.4	-160.7	157.1	0	113.2	D531 D532 V533	D531-K535 WeakPolarHBondContact O-CD 3.36Å; D531-K535 WeakPolarHBondContact O-CG 3.44Å; D531-K535 PolarHBondContact O-N 3.41Å; D532-K535 IonicContact OD1-NZ 3.48Å; D532-K535 PolarHBondContact OD1-NZ 3.5Å; V533-K535 PolarHBondContact O-N 3.47Å
536	S	41.3	Very low	38	Very low	45 Å²	45	80.8 Å²	80.8	32%	0.315	44%	0.441	S	S	.	.	H	α-helix	trans	-80.4	-30.8	-176.4	47.1	0	0	0	0	113.5	D532 V533 K534 H538 L539	D532-S536 PolarHBondContact O-N 2.95Å; D532-S536 VanDerWaalsContact O-N 3.11Å; D532-S536 PolarHBondContact O-OG 2.96Å; V533-S536 WeakPolarHBondContact CA-OG 3.36Å; V533-S536 PolarHBondContact O-N 2.9Å; V533-S536 PolarHBondContact O-OG 3.23Å; V533-S536 VanDerWaalsContact O-OG 3.05Å; K534-S536 PolarHBondContact O-N 3.41Å; S536-H538 PolarHBondContact O-N 2.78Å; S536-L539 PolarHBondContact O-N 3.38Å
537	V	37.6	Very low	38.4	Very low	23 Å²	23	76.3 Å²	76.3	14%	0.139	42%	0.422	C	S	.	.	H	α-helix	trans	-65.2	-35.8	177.5	166.6	0	0	0	0	113	V533 L539 T540 L564 L568	V533-V537 HydrophobicContact CG1-CG2 4.33Å; V533-V537 WeakPolarHBondContact O-CG2 3.49Å; V533-V537 PolarHBondContact O-N 3.16Å; V537-L539 PolarHBondContact O-N 3.43Å; V537-L539 VanDerWaalsContact O-N 3.12Å; V537-T540 PolarHBondContact O-OG1 3.33Å; V537-L564 HydrophobicContact CG2-CD1 4.45Å; V537-L568 HydrophobicContact CG1-CD2 3.78Å
538	H	37.6	Very low	38.7	Very low	112 Å²	112	72 Å²	72	52%	0.519	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-8	-179.1	-72.7	-58.5	0	0	0	115	K534 S536 D571	K534-H538 PolarHBondContact O-CD2 3.03Å; S536-H538 PolarHBondContact O-N 2.78Å; H538-D571 IonicContact CE1-OD1 3.16Å; H538-D571 IonicContact CE1-OD2 3.98Å; H538-D571 PolarHBondContact CE1-OD2 3Å; H538-D571 VanDerWaalsContact CE1-OD2 3.23Å; H538-D571 IonicContact ND1-OD2 2.68Å
539	L	31.6	Very low	38.7	Very low	146 Å²	146	68.2 Å²	68.2	76%	0.764	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.3	-6.2	-173.6	-66.4	172.5	0	0	0	114.7	S536 V537	S536-L539 PolarHBondContact O-N 3.38Å; V537-L539 PolarHBondContact O-N 3.43Å; V537-L539 VanDerWaalsContact O-N 3.12Å
540	T	30.6	Very low	39	Very low	48 Å²	48	68.5 Å²	68.5	29%	0.294	38%	0.384	S	S	.	.	S	Bend	trans	-96.8	122.8	-174.7	57.9	0	0	0	0	113	V537 L548	V537-T540 PolarHBondContact O-OG1 3.33Å; T540-L548 HydrophobicContact CG2-CD1 3.97Å
541	P	31.9	Very low	39.1	Very low	89 Å²	89	69.8 Å²	69.8	58%	0.578	40%	0.396	S	S	*	.			trans	-64.7	138.1	170.6	27.1	-33.4	0	0	0	110.2	N543 S544	P541-N543 VanDerWaalsContact C-N 3.25Å; P541-N543 PolarHBondContact O-N 3.25Å; P541-S544 WeakPolarHBondContact CD-OG 3.06Å; P541-S544 WeakPolarHBondContact O-CB 3.46Å; P541-S544 PolarHBondContact O-N 3.28Å; P541-S544 PolarHBondContact O-OG 3.47Å
542	V	32.1	Very low	38.9	Very low	59 Å²	59	66.7 Å²	66.7	36%	0.358	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-43.9	-42.7	-164.9	-175.7	0	0	0	0	114.5	S544 S545 L600	V542-S544 VanDerWaalsContact C-N 3.27Å; V542-S544 PolarHBondContact O-N 2.77Å; V542-S545 VanDerWaalsContact O-CB 3.32Å; V542-S545 WeakPolarHBondContact O-CB 3.49Å; V542-S545 PolarHBondContact O-N 3.08Å; V542-S545 VanDerWaalsContact O-N 3.15Å; V542-S545 PolarHBondContact O-OG 2.84Å; V542-L600 HydrophobicContact CG1-CD2 3.91Å
543	N	33.5	Very low	39	Very low	121 Å²	121	69.9 Å²	69.9	65%	0.647	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-68.9	-17.4	-178.2	-65.6	-22.2	0	0	0	115	P541	P541-N543 VanDerWaalsContact C-N 3.25Å; P541-N543 PolarHBondContact O-N 3.25Å
544	S	35.1	Very low	39.5	Very low	59 Å²	59	75.5 Å²	75.5	41%	0.413	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-85.3	-16	174.3	65.2	0	0	0	0	113.3	P541 V542 V546	P541-S544 WeakPolarHBondContact CD-OG 3.06Å; P541-S544 WeakPolarHBondContact O-CB 3.46Å; P541-S544 PolarHBondContact O-N 3.28Å; P541-S544 PolarHBondContact O-OG 3.47Å; V542-S544 VanDerWaalsContact C-N 3.27Å; V542-S544 PolarHBondContact O-N 2.77Å; S544-V546 PolarHBondContact O-N 3.45Å
545	S	40.2	Very low	39.7	Very low	21 Å²	21	78 Å²	78	15%	0.147	44%	0.441	C	S	.	.	H	α-helix	trans	-65.3	-30.7	-173.4	68.3	0	0	0	0	114.4	V542 S547 L548 M549	V542-S545 VanDerWaalsContact O-CB 3.32Å; V542-S545 WeakPolarHBondContact O-CB 3.49Å; V542-S545 PolarHBondContact O-N 3.08Å; V542-S545 VanDerWaalsContact O-N 3.15Å; V542-S545 PolarHBondContact O-OG 2.84Å; S545-S547 VanDerWaalsContact C-N 3.3Å; S545-S547 PolarHBondContact O-N 3.06Å; S545-L548 PolarHBondContact O-N 3.4Å; S545-L548 VanDerWaalsContact O-N 3.12Å; S545-M549 WeakPolarHBondContact O-CB 3.49Å; S545-M549 VanDerWaalsContact O-CG 3.26Å; S545-M549 WeakPolarHBondContact O-CG 3.18Å; S545-M549 PolarHBondContact O-N 3.08Å
546	V	36.4	Very low	39.7	Very low	93 Å²	93	73.2 Å²	73.2	56%	0.564	42%	0.421	S	S	*	.	H	α-helix	trans	-58.9	-38.2	-167	-175.3	0	0	0	0	113.1	S544 T550	S544-V546 PolarHBondContact O-N 3.45Å; V546-T550 WeakPolarHBondContact O-CB 3.26Å; V546-T550 PolarHBondContact O-N 2.68Å; V546-T550 VanDerWaalsContact O-N 3.16Å; V546-T550 PolarHBondContact O-OG1 3.3Å
547	S	38.6	Very low	40.5	Very low	71 Å²	71	75 Å²	75	50%	0.497	43%	0.428	S	S	.	.	H	α-helix	trans	-71	-48.3	177.5	-162.2	0	0	0	0	111.2	S545 M549 T550 S551	S545-S547 VanDerWaalsContact C-N 3.3Å; S545-S547 PolarHBondContact O-N 3.06Å; S547-M549 PolarHBondContact O-N 2.8Å; S547-T550 WeakPolarHBondContact O-CB 3.46Å; S547-T550 PolarHBondContact O-N 3.3Å; S547-T550 VanDerWaalsContact O-N 3.12Å; S547-S551 PolarHBondContact O-N 3.38Å; S547-S551 VanDerWaalsContact O-N 3.17Å
548	L	37.8	Very low	41.3	Very low	63 Å²	63	78.4 Å²	78.4	33%	0.33	45%	0.452	S	S	.	.	H	α-helix	trans	-60.7	-44.6	178.5	-113.6	166.7	0	0	0	112.2	T540 S545 T550 S551 L552	T540-L548 HydrophobicContact CG2-CD1 3.97Å; S545-L548 PolarHBondContact O-N 3.4Å; S545-L548 VanDerWaalsContact O-N 3.12Å; L548-T550 VanDerWaalsContact C-N 3.28Å; L548-T550 PolarHBondContact O-N 3.1Å; L548-S551 PolarHBondContact O-N 2.68Å; L548-L552 HydrophobicContact CD2-CD1 4.48Å; L548-L552 WeakPolarHBondContact O-CG 3.17Å; L548-L552 PolarHBondContact O-N 3.03Å
549	M	36.3	Very low	41.9	Very low	31 Å²	31	76.9 Å²	76.9	15%	0.153	45%	0.454	C	S	.	.	H	α-helix	trans	-63.8	-31.4	175.5	-70.6	-62.6	-173.3	0	0	112.6	S545 S547 L552 R553 L568 Y604	S545-M549 WeakPolarHBondContact O-CB 3.49Å; S545-M549 VanDerWaalsContact O-CG 3.26Å; S545-M549 WeakPolarHBondContact O-CG 3.18Å; S545-M549 PolarHBondContact O-N 3.08Å; S547-M549 PolarHBondContact O-N 2.8Å; M549-L552 HydrophobicContact SD-CD1 4.3Å; M549-R553 VanDerWaalsContact O-CB 3.26Å; M549-R553 WeakPolarHBondContact O-CB 3.04Å; M549-R553 PolarHBondContact O-N 3.34Å; M549-L568 HydrophobicContact CE-CD1 3.62Å; M549-L568 HydrophobicContact CE-CD2 3.98Å; M549-L568 HydrophobicContact CE-CG 4.47Å; M549-Y604 HydrophobicContact CB-CE2 4.23Å; M549-Y604 HydrophobicContact CE-CE2 4.49Å; M549-Y604 HydrophobicContact CG-CE2 4.02Å; M549-Y604 HydrophobicContact SD-CE2 3.93Å; M549-Y604 PolarHBondContact SD-OH 3.49Å
550	T	48.2	Very low	42.9	Very low	80 Å²	80	71.7 Å²	71.7	49%	0.491	43%	0.427	S	S	.	.	H	α-helix	trans	-70.4	-37.6	175.5	-58.4	0	0	0	0	111.2	V546 S547 L548	V546-T550 WeakPolarHBondContact O-CB 3.26Å; V546-T550 PolarHBondContact O-N 2.68Å; V546-T550 VanDerWaalsContact O-N 3.16Å; V546-T550 PolarHBondContact O-OG1 3.3Å; S547-T550 WeakPolarHBondContact O-CB 3.46Å; S547-T550 PolarHBondContact O-N 3.3Å; S547-T550 VanDerWaalsContact O-N 3.12Å; L548-T550 VanDerWaalsContact C-N 3.28Å; L548-T550 PolarHBondContact O-N 3.1Å
551	S	45.3	Very low	44.1	Very low	73 Å²	73	72.1 Å²	72.1	51%	0.51	43%	0.425	S	S	.	.	H	α-helix	trans	-67.2	-48.7	170.7	-59.4	0	0	0	0	112	S547 L548 R553 N554 S555	S547-S551 PolarHBondContact O-N 3.38Å; S547-S551 VanDerWaalsContact O-N 3.17Å; L548-S551 PolarHBondContact O-N 2.68Å; S551-R553 VanDerWaalsContact C-N 3.25Å; S551-R553 PolarHBondContact O-N 3.44Å; S551-N554 PolarHBondContact O-N 3.15Å; S551-S555 PolarHBondContact O-N 2.88Å; S551-S555 PolarHBondContact O-OG 3.04Å
552	L	44	Very low	44.9	Very low	29 Å²	29	72 Å²	72	15%	0.152	42%	0.419	C	S	.	.	H	α-helix	trans	-60.4	-32.4	178.7	-70.7	169	0	0	0	112.8	V533 L548 M549 N554 S555 L556	V533-L552 HydrophobicContact CG1-CD1 4.39Å; V533-L552 HydrophobicContact CG1-CD2 3.98Å; V533-L552 HydrophobicContact CG2-CD2 4.25Å; L548-L552 HydrophobicContact CD2-CD1 4.48Å; L548-L552 WeakPolarHBondContact O-CG 3.17Å; L548-L552 PolarHBondContact O-N 3.03Å; M549-L552 HydrophobicContact SD-CD1 4.3Å; L552-N554 PolarHBondContact O-N 3Å; L552-S555 PolarHBondContact O-N 3.46Å; L552-L556 HydrophobicContact CB-CD1 4.34Å; L552-L556 WeakPolarHBondContact O-CG 3.41Å; L552-L556 PolarHBondContact O-N 3.37Å
553	R	47.1	Very low	45.9	Very low	115 Å²	115	73.3 Å²	73.3	43%	0.434	42%	0.421	S	S	.	.	H	α-helix	trans	-57.4	-30.8	173.9	-176.4	176.4	-173.3	133.1	13.9	112.7	M549 S551 K561 N607	M549-R553 VanDerWaalsContact O-CB 3.26Å; M549-R553 WeakPolarHBondContact O-CB 3.04Å; M549-R553 PolarHBondContact O-N 3.34Å; S551-R553 VanDerWaalsContact C-N 3.25Å; S551-R553 PolarHBondContact O-N 3.44Å; R553-K561 WeakPolarHBondContact O-CE 3.47Å; R553-K561 PolarHBondContact O-NZ 3.09Å; R553-N607 VanDerWaalsContact CZ-O 3.3Å; R553-N607 PolarHBondContact NH1-O 2.83Å; R553-N607 PolarHBondContact NH2-O 2.97Å
554	N	51.7	Low	47	Very low	134 Å²	134	68 Å²	68	72%	0.717	39%	0.392	S	S	*	.	H	α-helix	trans	-89.7	-24.1	-178.3	-62.4	-16.2	0	0	0	112.9	S551 L552	S551-N554 PolarHBondContact O-N 3.15Å; L552-N554 PolarHBondContact O-N 3Å
555	S	46.9	Very low	47.7	Very low	97 Å²	97	65.2 Å²	65.2	68%	0.678	37%	0.373	S	S	*	.	H	α-helix	trans	-99.5	-12.7	-173.6	-52.8	0	0	0	0	115.7	S551 L552	S551-S555 PolarHBondContact O-N 2.88Å; S551-S555 PolarHBondContact O-OG 3.04Å; L552-S555 PolarHBondContact O-N 3.46Å
556	L	50.9	Low	48.3	Very low	29 Å²	29	65.6 Å²	65.6	15%	0.152	38%	0.378	C	S	.	.			trans	-102.9	143.1	-178	-63.7	174.5	0	0	0	112.8	L552 N560 K561 L564	L552-L556 HydrophobicContact CB-CD1 4.34Å; L552-L556 WeakPolarHBondContact O-CG 3.41Å; L552-L556 PolarHBondContact O-N 3.37Å; L556-N560 HydrophobicContact CB-CB 4.27Å; L556-N560 HydrophobicContact CD2-CB 4.18Å; L556-K561 HydrophobicContact CB-CG 4.2Å; L556-K561 WeakPolarHBondContact O-CE 3.29Å; L556-K561 PolarHBondContact O-NZ 3.13Å; L556-L564 HydrophobicContact CD1-CD2 3.91Å
557	D	57.5	Low	49.1	Very low	83 Å²	83	63.6 Å²	63.6	44%	0.444	36%	0.362	S	S	.	.			trans	-72.6	176.2	169.4	66.7	62	0	0	0	112.9	S559 N560 K561	D557-S559 PolarHBondContact O-N 3.09Å; D557-S559 WeakPolarHBondContact OD1-CA 3.35Å; D557-S559 WeakPolarHBondContact OD1-CB 3.5Å; D557-S559 PolarHBondContact OD1-N 3.28Å; D557-N560 PolarHBondContact OD1-N 2.91Å; D557-N560 PolarHBondContact OD1-ND2 3.17Å; D557-N560 PolarHBondContact OD2-ND2 3.37Å; D557-K561 WeakPolarHBondContact O-CB 3.46Å; D557-K561 WeakPolarHBondContact O-CD 3.45Å; D557-K561 VanDerWaalsContact O-CG 3.26Å; D557-K561 WeakPolarHBondContact O-CG 3.32Å; D557-K561 PolarHBondContact O-N 3.38Å
558	S	53.9	Low	49.5	Very low	94 Å²	94	61.6 Å²	61.6	66%	0.657	35%	0.346	S	S	*	.	H	α-helix	trans	-67.4	-29.6	-177.9	49.6	0	0	0	0	114.4	I562	S558-I562 WeakPolarHBondContact O-CD1 3.41Å; S558-I562 WeakPolarHBondContact O-CG1 3.27Å; S558-I562 PolarHBondContact O-N 3.41Å
559	S	50.8	Low	50	Low	79 Å²	79	60.6 Å²	60.6	55%	0.552	34%	0.34	S	S	*	.	H	α-helix	trans	-75.7	-45.4	178.3	-166.9	0	0	0	0	110.7	D557 K561 I562 E563	D557-S559 PolarHBondContact O-N 3.09Å; D557-S559 WeakPolarHBondContact OD1-CA 3.35Å; D557-S559 WeakPolarHBondContact OD1-CB 3.5Å; D557-S559 PolarHBondContact OD1-N 3.28Å; S559-K561 VanDerWaalsContact C-N 3.27Å; S559-K561 PolarHBondContact O-N 3.14Å; S559-I562 WeakPolarHBondContact O-CB 3.48Å; S559-I562 PolarHBondContact O-N 3.22Å; S559-E563 PolarHBondContact O-N 3.36Å
560	N	51.4	Low	50.6	Low	38 Å²	38	64.3 Å²	64.3	20%	0.203	36%	0.361	C	S	.	.	H	α-helix	trans	-63.6	-32.7	174.9	-80.2	-66.8	0	0	0	112.2	L530 L556 D557 L564	L530-N560 WeakPolarHBondContact CD2-OD1 3.29Å; L556-N560 HydrophobicContact CB-CB 4.27Å; L556-N560 HydrophobicContact CD2-CB 4.18Å; D557-N560 PolarHBondContact OD1-N 2.91Å; D557-N560 PolarHBondContact OD1-ND2 3.17Å; D557-N560 PolarHBondContact OD2-ND2 3.37Å; N560-L564 VanDerWaalsContact O-CB 3.23Å; N560-L564 WeakPolarHBondContact O-CB 3.28Å; N560-L564 PolarHBondContact O-N 3.03Å
561	K	57.4	Low	50.5	Low	56 Å²	56	62.1 Å²	62.1	24%	0.243	35%	0.346	C	S	.	.	H	α-helix	trans	-63.6	-37.7	169.8	-78.8	162.1	174.8	152.2	0	112.9	R553 L556 D557 S559 G565 Y609	R553-K561 WeakPolarHBondContact O-CE 3.47Å; R553-K561 PolarHBondContact O-NZ 3.09Å; L556-K561 HydrophobicContact CB-CG 4.2Å; L556-K561 WeakPolarHBondContact O-CE 3.29Å; L556-K561 PolarHBondContact O-NZ 3.13Å; D557-K561 WeakPolarHBondContact O-CB 3.46Å; D557-K561 WeakPolarHBondContact O-CD 3.45Å; D557-K561 VanDerWaalsContact O-CG 3.26Å; D557-K561 WeakPolarHBondContact O-CG 3.32Å; D557-K561 PolarHBondContact O-N 3.38Å; S559-K561 VanDerWaalsContact C-N 3.27Å; S559-K561 PolarHBondContact O-N 3.14Å; K561-G565 PolarHBondContact O-N 2.9Å; K561-Y609 PolarHBondContact O-OH 3.33Å; K561-Y609 VanDerWaalsContact O-OH 3.13Å
562	I	49	Very low	50.5	Low	88 Å²	88	60.4 Å²	60.4	45%	0.451	33%	0.334	S	S	.	.	H	α-helix	trans	-66.3	-48.6	175.1	-68.5	163	0	0	0	111.1	S558 S559 G565 A566 Y609	S558-I562 WeakPolarHBondContact O-CD1 3.41Å; S558-I562 WeakPolarHBondContact O-CG1 3.27Å; S558-I562 PolarHBondContact O-N 3.41Å; S559-I562 WeakPolarHBondContact O-CB 3.48Å; S559-I562 PolarHBondContact O-N 3.22Å; I562-G565 PolarHBondContact O-N 3.34Å; I562-A566 WeakPolarHBondContact O-CB 3.22Å; I562-A566 PolarHBondContact O-N 3.29Å; I562-Y609 WeakPolarHBondContact CA-OH 3.42Å; I562-Y609 HydrophobicContact CG1-CE1 3.91Å
563	E	52.2	Low	50.3	Low	85 Å²	85	61.2 Å²	61.2	40%	0.397	35%	0.345	S	S	.	.	H	α-helix	trans	-63.3	-47.2	179.6	-167.5	178	145.6	0	0	111.7	K534 S559 G565 A566 Q567	K534-E563 WeakPolarHBondContact CE-OE1 3.4Å; K534-E563 IonicContact NZ-OE1 3.3Å; K534-E563 PolarHBondContact NZ-OE1 3.31Å; S559-E563 PolarHBondContact O-N 3.36Å; E563-G565 PolarHBondContact O-N 3.3Å; E563-A566 PolarHBondContact O-N 2.9Å; E563-Q567 WeakPolarHBondContact O-CB 3.4Å; E563-Q567 PolarHBondContact O-N 3.15Å
564	L	57.2	Low	50	Low	9 Å²	9	63 Å²	63	5%	0.047	35%	0.353	C	S	.	.	H	α-helix	trans	-62.3	-42	177.6	-166.7	76	0	0	0	111.8	V533 V537 L556 N560 Q567 L568	V533-L564 HydrophobicContact CG1-CD1 4.33Å; V537-L564 HydrophobicContact CG2-CD1 4.45Å; L556-L564 HydrophobicContact CD1-CD2 3.91Å; N560-L564 VanDerWaalsContact O-CB 3.23Å; N560-L564 WeakPolarHBondContact O-CB 3.28Å; N560-L564 PolarHBondContact O-N 3.03Å; L564-Q567 PolarHBondContact O-N 2.92Å; L564-L568 HydrophobicContact CD2-CD1 4.35Å; L564-L568 HydrophobicContact CG-CD1 3.95Å; L564-L568 HydrophobicContact CG-CG 4.5Å; L564-L568 WeakPolarHBondContact O-CB 3.42Å; L564-L568 WeakPolarHBondContact O-CD1 3.35Å; L564-L568 VanDerWaalsContact O-CG 3.22Å; L564-L568 WeakPolarHBondContact O-CG 3.37Å; L564-L568 PolarHBondContact O-N 2.69Å
565	G	50.2	Low	49.2	Very low	1 Å²	1	61.8 Å²	61.8	1%	0.01	34%	0.343	C	S	.	.	H	α-helix	trans	-65.1	-36.8	176.7	0	0	0	0	0	113.4	K561 I562 E563 L569	K561-G565 PolarHBondContact O-N 2.9Å; I562-G565 PolarHBondContact O-N 3.34Å; E563-G565 PolarHBondContact O-N 3.3Å; G565-L569 WeakPolarHBondContact O-CB 3.49Å; G565-L569 WeakPolarHBondContact O-CG 3.37Å; G565-L569 PolarHBondContact O-N 3.42Å; G565-L569 VanDerWaalsContact O-N 3.12Å
566	A	51.7	Low	48.5	Very low	30 Å²	30	60.2 Å²	60.2	25%	0.248	33%	0.326	C	S	.	.	H	α-helix	trans	-71.2	-40.5	174.2	0	0	0	0	0	112.2	I562 E563 L569 N570	I562-A566 WeakPolarHBondContact O-CB 3.22Å; I562-A566 PolarHBondContact O-N 3.29Å; E563-A566 PolarHBondContact O-N 2.9Å; A566-L569 PolarHBondContact O-N 2.89Å; A566-N570 PolarHBondContact O-N 3.12Å
567	Q	53	Low	47.6	Very low	50 Å²	50	62.6 Å²	62.6	23%	0.234	34%	0.342	C	S	.	.	H	α-helix	trans	-65.4	-45.1	176	-173.2	168.4	-12.9	0	0	111.2	E563 L564 L569 N570 D571	E563-Q567 WeakPolarHBondContact O-CB 3.4Å; E563-Q567 PolarHBondContact O-N 3.15Å; L564-Q567 PolarHBondContact O-N 2.92Å; Q567-L569 VanDerWaalsContact C-N 3.28Å; Q567-L569 PolarHBondContact O-N 2.91Å; Q567-N570 PolarHBondContact O-N 2.79Å; Q567-N570 VanDerWaalsContact O-N 3.13Å; Q567-D571 WeakPolarHBondContact O-CB 3.27Å; Q567-D571 PolarHBondContact O-N 3.49Å
568	L	48.4	Very low	46.5	Very low	30 Å²	30	61.5 Å²	61.5	16%	0.157	34%	0.337	C	S	.	.	H	α-helix	trans	-61.9	-32.7	174.7	-73.2	165.2	0	0	0	113.1	V537 M549 L564 S572 Y604	V537-L568 HydrophobicContact CG1-CD2 3.78Å; M549-L568 HydrophobicContact CE-CD1 3.62Å; M549-L568 HydrophobicContact CE-CD2 3.98Å; M549-L568 HydrophobicContact CE-CG 4.47Å; L564-L568 HydrophobicContact CD2-CD1 4.35Å; L564-L568 HydrophobicContact CG-CD1 3.95Å; L564-L568 HydrophobicContact CG-CG 4.5Å; L564-L568 WeakPolarHBondContact O-CB 3.42Å; L564-L568 WeakPolarHBondContact O-CD1 3.35Å; L564-L568 VanDerWaalsContact O-CG 3.22Å; L564-L568 WeakPolarHBondContact O-CG 3.37Å; L564-L568 PolarHBondContact O-N 2.69Å; L568-S572 WeakPolarHBondContact O-CB 3.42Å; L568-S572 PolarHBondContact O-N 3.22Å; L568-S572 PolarHBondContact O-OG 2.82Å; L568-Y604 HydrophobicContact CD1-CD1 4.49Å; L568-Y604 HydrophobicContact CD1-CE1 3.47Å; L568-Y604 VanDerWaalsContact CD1-CE1 3.47Å; L568-Y604 WeakPolarHBondContact CD1-OH 3.48Å
569	L	46.3	Very low	45.6	Very low	41 Å²	41	60 Å²	60	22%	0.215	33%	0.326	C	S	.	.	H	α-helix	trans	-68.9	-44.2	171.3	-87.1	175.6	0	0	0	112.5	G565 A566 Q567 S572 A573 L605 F617	G565-L569 WeakPolarHBondContact O-CB 3.49Å; G565-L569 WeakPolarHBondContact O-CG 3.37Å; G565-L569 PolarHBondContact O-N 3.42Å; G565-L569 VanDerWaalsContact O-N 3.12Å; A566-L569 PolarHBondContact O-N 2.89Å; Q567-L569 VanDerWaalsContact C-N 3.28Å; Q567-L569 PolarHBondContact O-N 2.91Å; L569-S572 PolarHBondContact O-N 2.79Å; L569-A573 VanDerWaalsContact O-CB 3.31Å; L569-A573 WeakPolarHBondContact O-CB 3.45Å; L569-A573 PolarHBondContact O-N 3.04Å; L569-L605 HydrophobicContact CD1-CD1 4.08Å; L569-L605 HydrophobicContact CD1-CD2 3.86Å; L569-L605 HydrophobicContact CD2-CD1 4.09Å; L569-L605 HydrophobicContact CG-CD1 4.43Å; L569-L605 HydrophobicContact CG-CD2 4.21Å; L569-F617 HydrophobicContact CD1-CE1 3.97Å
570	N	49.1	Very low	44.7	Very low	109 Å²	109	62 Å²	62	58%	0.583	33%	0.329	S	S	*	.	H	α-helix	trans	-65.2	-43.7	176.5	-77.8	-19.1	0	0	0	111.3	A566 Q567 S572 A573 Y574	A566-N570 PolarHBondContact O-N 3.12Å; Q567-N570 PolarHBondContact O-N 2.79Å; Q567-N570 VanDerWaalsContact O-N 3.13Å; N570-S572 PolarHBondContact O-N 3.35Å; N570-A573 PolarHBondContact O-N 3.28Å; N570-Y574 WeakPolarHBondContact O-CB 3.35Å; N570-Y574 PolarHBondContact O-N 3.35Å
571	D	46.8	Very low	43.7	Very low	35 Å²	35	66 Å²	66	19%	0.187	35%	0.351	C	S	.	.	H	α-helix	trans	-63.2	-40.3	174.3	-73.3	-24.8	0	0	0	111.4	H538 Q567 Q575	H538-D571 IonicContact CE1-OD1 3.16Å; H538-D571 IonicContact CE1-OD2 3.98Å; H538-D571 PolarHBondContact CE1-OD2 3Å; H538-D571 VanDerWaalsContact CE1-OD2 3.23Å; H538-D571 IonicContact ND1-OD2 2.68Å; Q567-D571 WeakPolarHBondContact O-CB 3.27Å; Q567-D571 PolarHBondContact O-N 3.49Å; D571-Q575 VanDerWaalsContact O-CB 3.23Å; D571-Q575 WeakPolarHBondContact O-CB 3.39Å; D571-Q575 VanDerWaalsContact O-CG 3.23Å; D571-Q575 WeakPolarHBondContact O-CG 3.27Å; D571-Q575 PolarHBondContact O-N 3.49Å
572	S	44.9	Very low	42.5	Very low	37 Å²	37	67.9 Å²	67.9	26%	0.259	36%	0.363	S	S	.	.	H	α-helix	trans	-62	-44.8	172.6	-64.5	0	0	0	0	111.8	L568 L569 N570 L576 S601	L568-S572 WeakPolarHBondContact O-CB 3.42Å; L568-S572 PolarHBondContact O-N 3.22Å; L568-S572 PolarHBondContact O-OG 2.82Å; L569-S572 PolarHBondContact O-N 2.79Å; N570-S572 PolarHBondContact O-N 3.35Å; S572-L576 WeakPolarHBondContact O-CB 3.05Å; S572-L576 WeakPolarHBondContact O-CD1 3.38Å; S572-L576 WeakPolarHBondContact O-CG 3.44Å; S572-L576 PolarHBondContact O-N 3.1Å; S572-S601 PolarHBondContact OG-OG 3.32Å
573	A	39.8	Very low	41.7	Very low	46 Å²	46	68.6 Å²	68.6	38%	0.38	37%	0.365	S	S	.	.	H	α-helix	trans	-68.7	-39.4	179.7	0	0	0	0	0	112.1	L569 N570 L576 T577	L569-A573 VanDerWaalsContact O-CB 3.31Å; L569-A573 WeakPolarHBondContact O-CB 3.45Å; L569-A573 PolarHBondContact O-N 3.04Å; N570-A573 PolarHBondContact O-N 3.28Å; A573-L576 WeakPolarHBondContact O-CB 3.48Å; A573-L576 PolarHBondContact O-N 3.28Å; A573-T577 PolarHBondContact O-N 2.95Å; A573-T577 PolarHBondContact O-OG1 3.14Å
574	Y	40.3	Very low	40.6	Very low	151 Å²	151	67.9 Å²	67.9	59%	0.592	37%	0.369	S	S	*	.	H	α-helix	trans	-70.2	-41.9	177.6	-173.1	-112.4	0	0	0	111.7	N570 L576 T577 N578	N570-Y574 WeakPolarHBondContact O-CB 3.35Å; N570-Y574 PolarHBondContact O-N 3.35Å; Y574-L576 VanDerWaalsContact C-N 3.3Å; Y574-L576 PolarHBondContact O-N 2.97Å; Y574-T577 WeakPolarHBondContact CA-OG1 3.48Å; Y574-T577 PolarHBondContact O-N 3.45Å; Y574-T577 PolarHBondContact O-OG1 2.96Å; Y574-N578 VanDerWaalsContact CE1-ND2 3.3Å; Y574-N578 WeakPolarHBondContact CE1-ND2 3.25Å; Y574-N578 VanDerWaalsContact O-CB 3.31Å; Y574-N578 WeakPolarHBondContact O-CB 3.24Å; Y574-N578 PolarHBondContact O-N 3.1Å; Y574-N578 PolarHBondContact O-OD1 3.06Å
575	Q	34.9	Very low	39.3	Very low	110 Å²	110	72.7 Å²	72.7	51%	0.514	39%	0.392	S	S	.	.	H	α-helix	trans	-63.3	-36	169.2	-74	179.4	41.9	0	0	111.5	D571 S579	D571-Q575 VanDerWaalsContact O-CB 3.23Å; D571-Q575 WeakPolarHBondContact O-CB 3.39Å; D571-Q575 VanDerWaalsContact O-CG 3.23Å; D571-Q575 WeakPolarHBondContact O-CG 3.27Å; D571-Q575 PolarHBondContact O-N 3.49Å; Q575-S579 WeakPolarHBondContact O-CB 3.32Å; Q575-S579 PolarHBondContact O-N 3.28Å; Q575-S579 PolarHBondContact O-OG 3.49Å
576	L	33.8	Very low	38.4	Very low	63 Å²	63	79.5 Å²	79.5	33%	0.33	43%	0.426	S	S	.	.	H	α-helix	trans	-66.2	-46.6	173.6	-78.7	165.8	0	0	0	112.1	S572 A573 Y574 N578 I580	S572-L576 WeakPolarHBondContact O-CB 3.05Å; S572-L576 WeakPolarHBondContact O-CD1 3.38Å; S572-L576 WeakPolarHBondContact O-CG 3.44Å; S572-L576 PolarHBondContact O-N 3.1Å; A573-L576 WeakPolarHBondContact O-CB 3.48Å; A573-L576 PolarHBondContact O-N 3.28Å; Y574-L576 VanDerWaalsContact C-N 3.3Å; Y574-L576 PolarHBondContact O-N 2.97Å; L576-N578 PolarHBondContact O-N 2.94Å; L576-I580 VanDerWaalsContact O-CD1 3.32Å; L576-I580 WeakPolarHBondContact O-CD1 3.42Å; L576-I580 WeakPolarHBondContact O-CG1 3.3Å; L576-I580 PolarHBondContact O-N 3.19Å
577	T	30.9	Very low	37.4	Very low	79 Å²	79	81.9 Å²	81.9	49%	0.485	43%	0.432	S	S	.	.	H	α-helix	trans	-64.7	-38.7	177.2	50.4	0	0	0	0	112.3	A573 Y574 I580 N581	A573-T577 PolarHBondContact O-N 2.95Å; A573-T577 PolarHBondContact O-OG1 3.14Å; Y574-T577 WeakPolarHBondContact CA-OG1 3.48Å; Y574-T577 PolarHBondContact O-N 3.45Å; Y574-T577 PolarHBondContact O-OG1 2.96Å; T577-I580 PolarHBondContact O-N 3.42Å; T577-N581 PolarHBondContact O-N 3.2Å
578	N	33.6	Very low	36.3	Very low	61 Å²	61	87 Å²	87	33%	0.326	46%	0.456	S	S	.	.	H	α-helix	trans	-77.4	-37.1	-178.5	-64	5.2	0	0	0	111.2	Y574 L576 I580 N581 D582	Y574-N578 VanDerWaalsContact CE1-ND2 3.3Å; Y574-N578 WeakPolarHBondContact CE1-ND2 3.25Å; Y574-N578 VanDerWaalsContact O-CB 3.31Å; Y574-N578 WeakPolarHBondContact O-CB 3.24Å; Y574-N578 PolarHBondContact O-N 3.1Å; Y574-N578 PolarHBondContact O-OD1 3.06Å; L576-N578 PolarHBondContact O-N 2.94Å; N578-I580 PolarHBondContact O-N 3Å; N578-N581 PolarHBondContact O-N 3.25Å; N578-D582 PolarHBondContact O-N 2.93Å
579	S	35.2	Very low	35.4	Very low	62 Å²	62	94.3 Å²	94.3	43%	0.434	48%	0.483	S	S	.	.	H	α-helix	trans	-67	-11.6	171.4	-58.7	0	0	0	0	113.9	Q575 Q583	Q575-S579 WeakPolarHBondContact O-CB 3.32Å; Q575-S579 PolarHBondContact O-N 3.28Å; Q575-S579 PolarHBondContact O-OG 3.49Å; S579-Q583 WeakPolarHBondContact O-CG 3.34Å
580	I	32.9	Very low	34.5	Very low	120 Å²	120	100.9 Å²	100.9	62%	0.615	51%	0.512	S	S	*	.	H	α-helix	trans	-85.5	-29.8	171.3	-74.8	165.7	0	0	0	111.5	L576 T577 N578	L576-I580 VanDerWaalsContact O-CD1 3.32Å; L576-I580 WeakPolarHBondContact O-CD1 3.42Å; L576-I580 WeakPolarHBondContact O-CG1 3.3Å; L576-I580 PolarHBondContact O-N 3.19Å; T577-I580 PolarHBondContact O-N 3.42Å; N578-I580 PolarHBondContact O-N 3Å
581	N	31.2	Very low	33.7	Very low	123 Å²	123	102.3 Å²	102.3	66%	0.658	52%	0.519	S	S	*	.	H	α-helix	trans	-91.5	-37.9	177.6	-81.8	-15.2	0	0	0	113.6	T577 N578	T577-N581 PolarHBondContact O-N 3.2Å; N578-N581 PolarHBondContact O-N 3.25Å
582	D	31.2	Very low	32.8	Very low	95 Å²	95	104.2 Å²	104.2	51%	0.508	53%	0.53	S	S	.	.			trans	-109.5	63.8	-175.1	-67.5	-50.5	0	0	0	111.8	K409 N578 S584	K409-D582 IonicContact NZ-OD1 2.8Å; K409-D582 PolarHBondContact NZ-OD1 3.14Å; K409-D582 VanDerWaalsContact NZ-OD1 3.13Å; N578-D582 PolarHBondContact O-N 2.93Å; D582-S584 PolarHBondContact O-N 2.8Å
583	Q	31.7	Very low	32.2	Very low	103 Å²	103	106 Å²	106	48%	0.481	54%	0.54	S	S	.	.			trans	-73.8	64.9	170.9	-69.6	-161.4	-19.5	0	0	112.5	W293 I294 S579	W293-Q583 PolarHBondContact O-NE2 3.4Å; W293-Q583 VanDerWaalsContact O-NE2 3.1Å; I294-Q583 PolarHBondContact O-OE1 2.75Å; S579-Q583 WeakPolarHBondContact O-CG 3.34Å
584	S	28.6	Very low	32	Very low	70 Å²	70	105.7 Å²	105.7	49%	0.49	54%	0.541	S	S	.	.	S	Bend	trans	-141.9	136.4	166.4	43.9	0	0	0	0	110.2	D582	D582-S584 PolarHBondContact O-N 2.8Å
585	E	30.8	Very low	31.7	Very low	111 Å²	111	104.8 Å²	104.8	52%	0.519	54%	0.54	S	S	.	.	S	Bend	trans	79.8	19.1	167.7	-57	-176.6	164.9	0	0	119.5	K454	K454-E585 IonicContact NZ-OE1 3.23Å; K454-E585 PolarHBondContact NZ-OE1 2.89Å; K454-E585 IonicContact NZ-OE2 3.14Å
586	I	30.4	Very low	31.9	Very low	143 Å²	143	101.3 Å²	101.3	73%	0.733	53%	0.528	S	S	*	.			trans	-124.8	83.4	161.9	-47.7	-179.8	0	0	0	112.9
587	Q	30.7	Very low	32.1	Very low	81 Å²	81	101 Å²	101	38%	0.379	53%	0.527	S	S	.	.			trans	-142.8	56.5	165.2	-73.4	-155.9	19.3	0	0	113.3	Y444	Y444-Q587 HydrophobicContact CE1-CB 4.19Å; Y444-Q587 VanDerWaalsContact CE1-OE1 3.31Å; Y444-Q587 VanDerWaalsContact CZ-CD 3.49Å; Y444-Q587 VanDerWaalsContact CZ-OE1 3.29Å; Y444-Q587 WeakPolarHBondContact OH-CG 3.5Å; Y444-Q587 PolarHBondContact OH-NE2 3.43Å; Y444-Q587 PolarHBondContact OH-OE1 2.83Å
588	Q	31.5	Very low	32.5	Very low	157 Å²	157	100.2 Å²	100.2	73%	0.734	52%	0.519	S	S	*	.	S	Bend	trans	-112.3	-2.1	162.7	-67.6	-163.4	33	0	0	114.2
589	Y	27.9	Very low	33.1	Very low	184 Å²	184	100.8 Å²	100.8	72%	0.722	52%	0.522	S	S	*	.	S	Bend	trans	-119.8	107.8	171.2	-71.3	-78.1	0	0	0	110.9	L591	Y589-L591 PolarHBondContact O-N 2.84Å
590	Q	29.2	Very low	33.7	Very low	178 Å²	178	101.5 Å²	101.5	83%	0.832	52%	0.52	S	S	*	.			trans	-79.9	106.4	172.6	-67.4	-179.7	-29.1	0	0	109.7
591	L	30.7	Very low	34.4	Very low	139 Å²	139	97.1 Å²	97.1	73%	0.728	50%	0.5	S	S	*	.	S	Bend	trans	175.5	96.6	154	-99.9	160.2	0	0	0	111.2	Y589 P593 S596	Y589-L591 PolarHBondContact O-N 2.84Å; L591-P593 VanDerWaalsContact O-N 3.08Å; L591-S596 PolarHBondContact O-OG 3.4Å
592	N	28.3	Very low	35.1	Very low	76 Å²	76	93 Å²	93	41%	0.406	48%	0.478	S	S	.	.			trans	26	65.5	167	-70.1	-38.2	0	0	0	116.4	G594 K595 S596	N592-G594 VanDerWaalsContact C-N 3.27Å; N592-G594 PolarHBondContact O-N 3.41Å; N592-G594 VanDerWaalsContact O-N 3.09Å; N592-K595 HydrophobicContact CB-CB 4.24Å; N592-K595 PolarHBondContact O-N 3Å; N592-S596 PolarHBondContact O-N 3.13Å; N592-S596 PolarHBondContact O-OG 2.83Å
593	P	33.3	Very low	36.2	Very low	74 Å²	74	95.1 Å²	95.1	48%	0.481	48%	0.482	S	S	.	.	H	α-helix	trans	-57.5	-33.6	-166.9	19.3	-32.5	0	0	0	114.7	W293 L591 K595 N597	W293-P593 HydrophobicContact CZ3-CG 4.41Å; L591-P593 VanDerWaalsContact O-N 3.08Å; P593-K595 VanDerWaalsContact C-N 3.31Å; P593-K595 PolarHBondContact O-N 3.35Å; P593-N597 WeakPolarHBondContact O-CB 3.48Å; P593-N597 PolarHBondContact O-N 3.48Å
594	G	33.9	Very low	37	Very low	39 Å²	39	93.1 Å²	93.1	40%	0.402	47%	0.471	S	S	.	.	H	α-helix	trans	-77.4	-5.5	176	0	0	0	0	0	115.8	N592	N592-G594 VanDerWaalsContact C-N 3.27Å; N592-G594 PolarHBondContact O-N 3.41Å; N592-G594 VanDerWaalsContact O-N 3.09Å
595	K	34.8	Very low	37.9	Very low	132 Å²	132	90 Å²	90	57%	0.574	45%	0.448	S	S	*	.	H	α-helix	trans	-108.7	-51.9	170.8	-70	-177.8	178.1	175.4	0	110.9	N592 P593 N597 M598 D599	N592-K595 HydrophobicContact CB-CB 4.24Å; N592-K595 PolarHBondContact O-N 3Å; P593-K595 VanDerWaalsContact C-N 3.31Å; P593-K595 PolarHBondContact O-N 3.35Å; K595-N597 PolarHBondContact O-N 2.9Å; K595-M598 PolarHBondContact O-N 3.42Å; K595-D599 WeakPolarHBondContact O-CB 3.25Å; K595-D599 VanDerWaalsContact O-CG 3.27Å; K595-D599 PolarHBondContact O-N 3.23Å
596	S	40.2	Very low	38.9	Very low	37 Å²	37	90.5 Å²	90.5	26%	0.259	45%	0.451	S	S	.	.	H	α-helix	trans	-56.3	-46.5	-177.2	49	0	0	0	0	112.3	L591 N592 M598 D599 L600	L591-S596 PolarHBondContact O-OG 3.4Å; N592-S596 PolarHBondContact O-N 3.13Å; N592-S596 PolarHBondContact O-OG 2.83Å; S596-M598 PolarHBondContact O-N 2.86Å; S596-D599 PolarHBondContact O-N 3.15Å; S596-L600 WeakPolarHBondContact O-CB 3.46Å; S596-L600 WeakPolarHBondContact O-CD1 3.47Å; S596-L600 PolarHBondContact O-N 3.02Å
597	N	36	Very low	39.9	Very low	57 Å²	57	87.9 Å²	87.9	31%	0.305	44%	0.439	S	S	.	.	H	α-helix	trans	-66.3	-36.7	177.4	-71.6	-6.2	0	0	0	112.6	P593 K595 S601	P593-N597 WeakPolarHBondContact O-CB 3.48Å; P593-N597 PolarHBondContact O-N 3.48Å; K595-N597 PolarHBondContact O-N 2.9Å; N597-S601 WeakPolarHBondContact O-CB 3.31Å; N597-S601 PolarHBondContact O-N 3.24Å; N597-S601 PolarHBondContact O-OG 2.97Å; N597-S601 VanDerWaalsContact O-OG 3.06Å
598	M	40.4	Very low	40.6	Very low	62 Å²	62	85.6 Å²	85.6	31%	0.305	43%	0.429	S	S	.	.	H	α-helix	trans	-71.9	-41.7	178.9	-159.1	173.7	-141.2	0	0	111.5	K595 S596 S601 M602 L630	K595-M598 PolarHBondContact O-N 3.42Å; S596-M598 PolarHBondContact O-N 2.86Å; M598-S601 PolarHBondContact O-N 3.27Å; M598-M602 WeakPolarHBondContact O-CB 3.33Å; M598-M602 VanDerWaalsContact O-CG 3.29Å; M598-M602 WeakPolarHBondContact O-CG 3.1Å; M598-M602 PolarHBondContact O-N 3.11Å; M598-L630 HydrophobicContact CE-CD1 4.15Å; M598-L630 HydrophobicContact CE-CD2 3.89Å; M598-L630 HydrophobicContact SD-CD2 3.68Å
599	D	46.3	Very low	41.4	Very low	73 Å²	73	80 Å²	80	39%	0.39	40%	0.401	S	S	.	.	H	α-helix	trans	-67.5	-33.6	175.2	-64.4	-34.5	0	0	0	111.6	K595 S596 K603 Y634	K595-D599 WeakPolarHBondContact O-CB 3.25Å; K595-D599 VanDerWaalsContact O-CG 3.27Å; K595-D599 PolarHBondContact O-N 3.23Å; S596-D599 PolarHBondContact O-N 3.15Å; D599-K603 WeakPolarHBondContact O-CB 3.21Å; D599-K603 WeakPolarHBondContact O-CG 3.37Å; D599-K603 PolarHBondContact O-N 3.38Å; D599-Y634 PolarHBondContact OD1-OH 3.05Å
600	L	46.9	Very low	42.3	Very low	77 Å²	77	75.5 Å²	75.5	40%	0.403	40%	0.395	S	S	.	.	H	α-helix	trans	-66.9	-49.3	169.7	-100	79	0	0	0	111.4	V542 S596 M602 K603 Y604	V542-L600 HydrophobicContact CG1-CD2 3.91Å; S596-L600 WeakPolarHBondContact O-CB 3.46Å; S596-L600 WeakPolarHBondContact O-CD1 3.47Å; S596-L600 PolarHBondContact O-N 3.02Å; L600-M602 VanDerWaalsContact C-N 3.32Å; L600-M602 PolarHBondContact O-N 3.39Å; L600-K603 CarbonylContact O-C 3.58Å; L600-K603 PolarHBondContact O-N 3.08Å; L600-Y604 VanDerWaalsContact O-CB 3.31Å; L600-Y604 WeakPolarHBondContact O-CB 3.33Å; L600-Y604 PolarHBondContact O-N 2.81Å
601	S	48	Very low	43	Very low	29 Å²	29	74.3 Å²	74.3	20%	0.203	39%	0.394	C	S	.	.	H	α-helix	trans	-62.4	-38.7	179	-65.1	0	0	0	0	111.8	S572 N597 M598 Y604 L605	S572-S601 PolarHBondContact OG-OG 3.32Å; N597-S601 WeakPolarHBondContact O-CB 3.31Å; N597-S601 PolarHBondContact O-N 3.24Å; N597-S601 PolarHBondContact O-OG 2.97Å; N597-S601 VanDerWaalsContact O-OG 3.06Å; M598-S601 PolarHBondContact O-N 3.27Å; S601-Y604 PolarHBondContact O-N 3.46Å; S601-L605 WeakPolarHBondContact O-CG 3.2Å; S601-L605 PolarHBondContact O-N 3.21Å
602	M	46.7	Very low	43.5	Very low	36 Å²	36	72.7 Å²	72.7	18%	0.177	39%	0.39	C	S	.	.	H	α-helix	trans	-66.4	-42.1	173.8	-72.4	-61.3	-67	0	0	112.5	M598 L600 Y604 L605 Q606 L618 Y634	M598-M602 WeakPolarHBondContact O-CB 3.33Å; M598-M602 VanDerWaalsContact O-CG 3.29Å; M598-M602 WeakPolarHBondContact O-CG 3.1Å; M598-M602 PolarHBondContact O-N 3.11Å; L600-M602 VanDerWaalsContact C-N 3.32Å; L600-M602 PolarHBondContact O-N 3.39Å; M602-Y604 VanDerWaalsContact C-N 3.3Å; M602-Y604 PolarHBondContact O-N 2.85Å; M602-L605 PolarHBondContact O-N 3.38Å; M602-L605 HydrophobicContact SD-CD1 4.1Å; M602-Q606 PolarHBondContact O-N 3.46Å; M602-L618 HydrophobicContact CE-CD1 4.35Å; M602-Y634 HydrophobicContact CE-CD1 4.27Å; M602-Y634 HydrophobicContact CE-CG 4.38Å; M602-Y634 HydrophobicContact CG-CE1 4.38Å
603	K	54.5	Low	44.1	Very low	139 Å²	139	75 Å²	75	60%	0.604	40%	0.398	S	S	*	.	H	α-helix	trans	-63.9	-34.5	171.2	-82	-175.7	172.9	-175.8	0	112.6	D599 L600 N607	D599-K603 WeakPolarHBondContact O-CB 3.21Å; D599-K603 WeakPolarHBondContact O-CG 3.37Å; D599-K603 PolarHBondContact O-N 3.38Å; L600-K603 CarbonylContact O-C 3.58Å; L600-K603 PolarHBondContact O-N 3.08Å; K603-N607 VanDerWaalsContact O-CB 3.29Å; K603-N607 WeakPolarHBondContact O-CB 3.08Å; K603-N607 PolarHBondContact O-N 3.26Å; K603-N607 PolarHBondContact O-ND2 3.35Å
604	Y	47.7	Very low	44.6	Very low	61 Å²	61	73.3 Å²	73.3	24%	0.239	39%	0.386	C	S	.	.	H	α-helix	trans	-69.3	-41.2	176.9	-176.8	-101.8	0	0	0	111.1	M549 L568 L600 S601 M602 N607 L608	M549-Y604 HydrophobicContact CB-CE2 4.23Å; M549-Y604 HydrophobicContact CE-CE2 4.49Å; M549-Y604 HydrophobicContact CG-CE2 4.02Å; M549-Y604 HydrophobicContact SD-CE2 3.93Å; M549-Y604 PolarHBondContact SD-OH 3.49Å; L568-Y604 HydrophobicContact CD1-CD1 4.49Å; L568-Y604 HydrophobicContact CD1-CE1 3.47Å; L568-Y604 VanDerWaalsContact CD1-CE1 3.47Å; L568-Y604 WeakPolarHBondContact CD1-OH 3.48Å; L600-Y604 VanDerWaalsContact O-CB 3.31Å; L600-Y604 WeakPolarHBondContact O-CB 3.33Å; L600-Y604 PolarHBondContact O-N 2.81Å; S601-Y604 PolarHBondContact O-N 3.46Å; M602-Y604 VanDerWaalsContact C-N 3.3Å; M602-Y604 PolarHBondContact O-N 2.85Å; Y604-N607 CarbonylContact O-C 3.59Å; Y604-N607 PolarHBondContact O-N 3.05Å; Y604-L608 HydrophobicContact CD1-CD1 3.86Å; Y604-L608 HydrophobicContact CD1-CG 4.36Å; Y604-L608 HydrophobicContact CE1-CD1 3.32Å; Y604-L608 HydrophobicContact CE1-CG 4.01Å; Y604-L608 WeakPolarHBondContact O-CG 3.42Å; Y604-L608 PolarHBondContact O-N 2.86Å
605	L	46.8	Very low	45.1	Very low	4 Å²	4	78.4 Å²	78.4	2%	0.021	40%	0.397	C	S	.	.	H	α-helix	trans	-62	-47.6	171.3	-71.1	178.6	0	0	0	112.8	L569 S601 M602 N607 L608 Y609	L569-L605 HydrophobicContact CD1-CD1 4.08Å; L569-L605 HydrophobicContact CD1-CD2 3.86Å; L569-L605 HydrophobicContact CD2-CD1 4.09Å; L569-L605 HydrophobicContact CG-CD1 4.43Å; L569-L605 HydrophobicContact CG-CD2 4.21Å; S601-L605 WeakPolarHBondContact O-CG 3.2Å; S601-L605 PolarHBondContact O-N 3.21Å; M602-L605 PolarHBondContact O-N 3.38Å; M602-L605 HydrophobicContact SD-CD1 4.1Å; L605-N607 PolarHBondContact O-N 2.93Å; L605-L608 PolarHBondContact O-N 3.17Å; L605-L608 VanDerWaalsContact O-N 3.12Å; L605-Y609 HydrophobicContact CD2-CD2 4.19Å; L605-Y609 HydrophobicContact CD2-CE2 3.75Å; L605-Y609 WeakPolarHBondContact O-CD2 3.43Å; L605-Y609 PolarHBondContact O-N 2.99Å
606	Q	53	Low	45.8	Very low	123 Å²	123	76.8 Å²	76.8	58%	0.575	39%	0.392	S	S	*	.	H	α-helix	trans	-59.6	-35	175	-76	-177.8	-52.5	0	0	111.8	M602	M602-Q606 PolarHBondContact O-N 3.46Å
607	N	50.8	Low	45.8	Very low	88 Å²	88	78.3 Å²	78.3	47%	0.471	39%	0.394	S	S	.	.	H	α-helix	trans	-74.3	-28.2	175.5	-85.4	-58.9	0	0	0	114	R553 K603 Y604 L605	R553-N607 VanDerWaalsContact CZ-O 3.3Å; R553-N607 PolarHBondContact NH1-O 2.83Å; R553-N607 PolarHBondContact NH2-O 2.97Å; K603-N607 VanDerWaalsContact O-CB 3.29Å; K603-N607 WeakPolarHBondContact O-CB 3.08Å; K603-N607 PolarHBondContact O-N 3.26Å; K603-N607 PolarHBondContact O-ND2 3.35Å; Y604-N607 CarbonylContact O-C 3.59Å; Y604-N607 PolarHBondContact O-N 3.05Å; L605-N607 PolarHBondContact O-N 2.93Å
608	L	45	Very low	46.1	Very low	33 Å²	33	78.2 Å²	78.2	17%	0.173	39%	0.393	C	S	.	.	H	α-helix	trans	-82.2	-35.5	176.8	-80.4	-177.9	0	0	0	113.1	Y604 L605 P610	Y604-L608 HydrophobicContact CD1-CD1 3.86Å; Y604-L608 HydrophobicContact CD1-CG 4.36Å; Y604-L608 HydrophobicContact CE1-CD1 3.32Å; Y604-L608 HydrophobicContact CE1-CG 4.01Å; Y604-L608 WeakPolarHBondContact O-CG 3.42Å; Y604-L608 PolarHBondContact O-N 2.86Å; L605-L608 PolarHBondContact O-N 3.17Å; L605-L608 VanDerWaalsContact O-N 3.12Å; L608-P610 VanDerWaalsContact C-CD 3.42Å; L608-P610 WeakPolarHBondContact O-CD 3.24Å
609	Y	48.1	Very low	46.4	Very low	38 Å²	38	80.6 Å²	80.6	15%	0.149	40%	0.403	C	S	.	.			trans	-125.5	64.9	-172.7	-48.3	-69.5	0	0	0	112.4	K561 I562 L605 D611	K561-Y609 PolarHBondContact O-OH 3.33Å; K561-Y609 VanDerWaalsContact O-OH 3.13Å; I562-Y609 WeakPolarHBondContact CA-OH 3.42Å; I562-Y609 HydrophobicContact CG1-CE1 3.91Å; L605-Y609 HydrophobicContact CD2-CD2 4.19Å; L605-Y609 HydrophobicContact CD2-CE2 3.75Å; L605-Y609 WeakPolarHBondContact O-CD2 3.43Å; L605-Y609 PolarHBondContact O-N 2.99Å; Y609-D611 VanDerWaalsContact C-N 3.26Å; Y609-D611 PolarHBondContact O-N 3.29Å
610	P	47.7	Very low	46.5	Very low	91 Å²	91	85.7 Å²	85.7	59%	0.591	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-32.2	176	24.8	-32.6	0	0	0	113	L608	L608-P610 VanDerWaalsContact C-CD 3.42Å; L608-P610 WeakPolarHBondContact O-CD 3.24Å
611	D	43.6	Very low	46	Very low	152 Å²	152	85.9 Å²	85.9	81%	0.813	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	2	-167.8	-55	-61.4	0	0	0	115.4	Y609	Y609-D611 VanDerWaalsContact C-N 3.26Å; Y609-D611 PolarHBondContact O-N 3.29Å
612	V	41.5	Very low	45.2	Very low	106 Å²	106	89.9 Å²	89.9	64%	0.642	44%	0.44	S	S	*	.	S	Bend	trans	-129.9	144.3	-170.4	-174.7	0	0	0	0	112	V614	V612-V614 PolarHBondContact O-N 2.73Å
613	Q	41.7	Very low	44.6	Very low	124 Å²	124	92.4 Å²	92.4	58%	0.579	46%	0.459	S	S	*	.			trans	-65.7	83.1	-169.7	-59.4	-175.3	36.3	0	0	113.9	K615 Q616 F617	Q613-K615 PolarHBondContact O-N 3.25Å; Q613-Q616 HydrophobicContact CB-CB 4.28Å; Q613-Q616 HydrophobicContact CB-CG 4.04Å; Q613-Q616 PolarHBondContact O-N 3.05Å; Q613-Q616 VanDerWaalsContact OE1-CD 3.29Å; Q613-F617 PolarHBondContact O-N 3.44Å
614	V	43	Very low	43.7	Very low	39 Å²	39	95.4 Å²	95.4	24%	0.236	47%	0.472	C	S	.	.	H	α-helix	trans	-47.4	-35.4	173.8	177.1	0	0	0	0	111.9	V612 F617 L618	V612-V614 PolarHBondContact O-N 2.73Å; V614-F617 WeakPolarHBondContact O-CB 3.24Å; V614-F617 PolarHBondContact O-N 2.65Å; V614-L618 HydrophobicContact CG1-CD1 3.84Å; V614-L618 HydrophobicContact CG1-CG 4.17Å; V614-L618 WeakPolarHBondContact O-CG 3.39Å; V614-L618 PolarHBondContact O-N 3.27Å
615	K	45	Very low	42.9	Very low	145 Å²	145	101.3 Å²	101.3	63%	0.63	50%	0.501	S	S	*	.	H	α-helix	trans	-56.9	-49.2	174.6	-173.4	172.1	-179.5	176.7	0	113.5	Q613 F617 L618 E619	Q613-K615 PolarHBondContact O-N 3.25Å; K615-F617 PolarHBondContact O-N 3.15Å; K615-L618 PolarHBondContact O-N 3.07Å; K615-E619 WeakPolarHBondContact CE-OE1 3.25Å; K615-E619 WeakPolarHBondContact CG-OE1 3.47Å; K615-E619 WeakPolarHBondContact O-CB 3.45Å; K615-E619 VanDerWaalsContact O-CG 3.28Å; K615-E619 WeakPolarHBondContact O-CG 3.45Å; K615-E619 PolarHBondContact O-N 3.34Å
616	Q	49	Very low	42.2	Very low	99 Å²	99	104.5 Å²	104.5	46%	0.463	52%	0.524	S	S	.	.	H	α-helix	trans	-66.9	-25.6	178.5	-67.3	-168.5	0.1	0	0	113	Q613	Q613-Q616 HydrophobicContact CB-CB 4.28Å; Q613-Q616 HydrophobicContact CB-CG 4.04Å; Q613-Q616 PolarHBondContact O-N 3.05Å; Q613-Q616 VanDerWaalsContact OE1-CD 3.29Å
617	F	41.2	Very low	41.1	Very low	69 Å²	69	101.8 Å²	101.8	30%	0.303	52%	0.519	S	S	.	.	H	α-helix	trans	-76.3	-46.9	176.6	-166.5	-115	0	0	0	110.8	L569 Q613 V614 K615 E619 K620 L621	L569-F617 HydrophobicContact CD1-CE1 3.97Å; Q613-F617 PolarHBondContact O-N 3.44Å; V614-F617 WeakPolarHBondContact O-CB 3.24Å; V614-F617 PolarHBondContact O-N 2.65Å; K615-F617 PolarHBondContact O-N 3.15Å; F617-E619 PolarHBondContact O-N 2.9Å; F617-K620 PolarHBondContact O-N 2.86Å; F617-L621 HydrophobicContact CD1-CD1 3.65Å; F617-L621 HydrophobicContact CD2-CD1 4.23Å; F617-L621 HydrophobicContact CE1-CD1 3.41Å; F617-L621 VanDerWaalsContact CE1-CD1 3.41Å; F617-L621 HydrophobicContact CE2-CD1 4.02Å; F617-L621 HydrophobicContact CG-CD1 4.06Å; F617-L621 HydrophobicContact CZ-CD1 3.62Å; F617-L621 WeakPolarHBondContact O-CG 3.15Å; F617-L621 PolarHBondContact O-N 3.44Å
618	L	42.3	Very low	40	Very low	55 Å²	55	102.4 Å²	102.4	29%	0.288	53%	0.528	S	S	.	.	H	α-helix	trans	-61.4	-40.6	174.5	-69.7	172	0	0	0	112.5	M602 V614 K615 K620 L621 M622	M602-L618 HydrophobicContact CE-CD1 4.35Å; V614-L618 HydrophobicContact CG1-CD1 3.84Å; V614-L618 HydrophobicContact CG1-CG 4.17Å; V614-L618 WeakPolarHBondContact O-CG 3.39Å; V614-L618 PolarHBondContact O-N 3.27Å; K615-L618 PolarHBondContact O-N 3.07Å; L618-K620 PolarHBondContact O-N 3.02Å; L618-L621 PolarHBondContact O-N 3Å; L618-M622 PolarHBondContact O-N 2.94Å
619	E	45.8	Very low	39.4	Very low	111 Å²	111	107.3 Å²	107.3	52%	0.519	55%	0.552	S	S	.	*	H	α-helix	trans	-63.4	-21.6	176.9	-76.5	170.9	-177.4	0	0	113.6	K615 F617	K615-E619 WeakPolarHBondContact CE-OE1 3.25Å; K615-E619 WeakPolarHBondContact CG-OE1 3.47Å; K615-E619 WeakPolarHBondContact O-CB 3.45Å; K615-E619 VanDerWaalsContact O-CG 3.28Å; K615-E619 WeakPolarHBondContact O-CG 3.45Å; K615-E619 PolarHBondContact O-N 3.34Å; F617-E619 PolarHBondContact O-N 2.9Å
620	K	49	Very low	38.6	Very low	181 Å²	181	108.9 Å²	108.9	79%	0.787	56%	0.563	S	S	*	*	H	α-helix	trans	-93	-23.8	176.9	-77.6	179.2	176.9	175.7	0	114.6	F617 L618	F617-K620 PolarHBondContact O-N 2.86Å; L618-K620 PolarHBondContact O-N 3.02Å
621	L	36.3	Very low	37.8	Very low	81 Å²	81	110.8 Å²	110.8	42%	0.424	56%	0.563	S	S	.	*	H	α-helix	trans	-100	-15.2	-168.8	-73.6	170.6	0	0	0	115.3	F617 L618 P623	F617-L621 HydrophobicContact CD1-CD1 3.65Å; F617-L621 HydrophobicContact CD2-CD1 4.23Å; F617-L621 HydrophobicContact CE1-CD1 3.41Å; F617-L621 VanDerWaalsContact CE1-CD1 3.41Å; F617-L621 HydrophobicContact CE2-CD1 4.02Å; F617-L621 HydrophobicContact CG-CD1 4.06Å; F617-L621 HydrophobicContact CZ-CD1 3.62Å; F617-L621 WeakPolarHBondContact O-CG 3.15Å; F617-L621 PolarHBondContact O-N 3.44Å; L618-L621 PolarHBondContact O-N 3Å; L621-P623 WeakPolarHBondContact O-CD 3.38Å
622	M	31.6	Very low	37.2	Very low	113 Å²	113	109.3 Å²	109.3	56%	0.557	55%	0.554	S	S	*	*			trans	-93.4	120.2	-174.3	-73.8	-70.3	103.4	0	0	113.5	L618	L618-M622 PolarHBondContact O-N 2.94Å
623	P	34.2	Very low	36.8	Very low	89 Å²	89	110.9 Å²	110.9	58%	0.578	55%	0.553	S	S	*	*			trans	-62.6	142.5	171.3	-22.8	34.6	0	0	0	112.4	L621 H625 S626	L621-P623 WeakPolarHBondContact O-CD 3.38Å; P623-H625 PolarHBondContact O-N 2.94Å; P623-S626 PolarHBondContact O-N 3.26Å
624	K	34.4	Very low	36.5	Very low	201 Å²	201	109.1 Å²	109.1	87%	0.874	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	25.2	-172.2	-62	-179.6	178.6	177.3	0	115.5
625	H	31.6	Very low	36	Very low	185 Å²	185	110.2 Å²	110.2	86%	0.856	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.3	-5.1	-178.8	-66.6	-71.3	0	0	0	113.9	P623	P623-H625 PolarHBondContact O-N 2.94Å
626	S	31.8	Very low	35.3	Very low	72 Å²	72	109.5 Å²	109.5	50%	0.503	55%	0.554	S	S	.	*	S	Bend	trans	-70.5	144.5	170.6	-61.2	0	0	0	0	111.4	P623	P623-S626 PolarHBondContact O-N 3.26Å
627	S	29.3	Very low	34.3	Very low	65 Å²	65	109.3 Å²	109.3	46%	0.455	56%	0.562	S	S	.	*			trans	-72.8	149.3	-170.8	58.9	0	0	0	0	113.5	I629 L630	S627-I629 PolarHBondContact O-N 2.87Å; S627-L630 PolarHBondContact O-N 3.1Å
628	P	29.1	Very low	33.6	Very low	102 Å²	102	111.8 Å²	111.8	66%	0.662	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-59.3	-15.9	-175.3	-26.4	35.3	0	0	0	115.7	L630 F631	P628-L630 PolarHBondContact O-N 3.27Å; P628-L630 VanDerWaalsContact O-N 3.17Å; P628-F631 PolarHBondContact O-N 3.49Å
629	I	30.6	Very low	32.8	Very low	135 Å²	135	116.5 Å²	116.5	69%	0.692	61%	0.609	S	S	*	*	G	3₁₀ helix	trans	-60.8	-23.4	-177.4	-58.1	171	0	0	0	112.2	S627	S627-I629 PolarHBondContact O-N 2.87Å
630	L	32.4	Very low	32	Very low	71 Å²	71	121.5 Å²	121.5	37%	0.372	63%	0.629	S	S	.	*	G	3₁₀ helix	trans	-88.7	-22.5	178.7	-74	170.2	0	0	0	114.4	M598 S627 P628 Y634	M598-L630 HydrophobicContact CE-CD1 4.15Å; M598-L630 HydrophobicContact CE-CD2 3.89Å; M598-L630 HydrophobicContact SD-CD2 3.68Å; S627-L630 PolarHBondContact O-N 3.1Å; P628-L630 PolarHBondContact O-N 3.27Å; P628-L630 VanDerWaalsContact O-N 3.17Å; L630-Y634 WeakPolarHBondContact O-CD2 3.42Å
631	F	31.1	Very low	31	Very low	132 Å²	132	118.4 Å²	118.4	58%	0.579	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	-50.7	-175.9	-160.1	-99.9	0	0	0	111.5	P628 K633 Y634	P628-F631 PolarHBondContact O-N 3.49Å; F631-K633 PolarHBondContact O-N 3.36Å; F631-Y634 PolarHBondContact O-N 3.25Å
632	N	30.7	Very low	30.6	Very low	120 Å²	120	120.5 Å²	120.5	64%	0.642	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	27.5	-177	-61.3	10.6	0	0	0	113.9
633	K	32.8	Very low	30.3	Very low	140 Å²	140	124.5 Å²	124.5	61%	0.609	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.7	-8.8	-178.3	-144.7	-165.3	173.1	-153.8	0	114.5	F631	F631-K633 PolarHBondContact O-N 3.36Å
634	Y	35.9	Very low	29.8	Very low	87 Å²	87	128.9 Å²	128.9	34%	0.341	68%	0.681	S	S	.	*	T	Hydrogen-bonded Turn	trans	-118.8	2.4	171.1	-60.6	-72.2	0	0	0	112	D599 M602 L630 F631	D599-Y634 PolarHBondContact OD1-OH 3.05Å; M602-Y634 HydrophobicContact CE-CD1 4.27Å; M602-Y634 HydrophobicContact CE-CG 4.38Å; M602-Y634 HydrophobicContact CG-CE1 4.38Å; L630-Y634 WeakPolarHBondContact O-CD2 3.42Å; F631-Y634 PolarHBondContact O-N 3.25Å
635	S	31.3	Very low	29.5	Very low	62 Å²	62	127.3 Å²	127.3	43%	0.434	68%	0.68	S	S	.	*	S	Bend	trans	-71.6	-29.3	168	44.3	0	0	0	0	113.2	C637	S635-C637 PolarHBondContact O-N 3.1Å
636	D	31.1	Very low	29.2	Very low	130 Å²	130	124.5 Å²	124.5	70%	0.695	68%	0.678	S	S	*	*	S	Bend	trans	-102	31.5	-163	-55.6	9.4	0	0	0	111.6
637	C	27.9	Very low	29	Very low	95 Å²	95	127.4 Å²	127.4	64%	0.642	70%	0.698	S	S	*	*			trans	-123.3	50.1	-176.9	-68.3	0	0	0	0	111.8	S635	S635-C637 PolarHBondContact O-N 3.1Å
638	T	26.7	Very low	28.9	Very low	120 Å²	120	129.7 Å²	129.7	74%	0.736	71%	0.713	S	S	*	*			trans	-112.8	81.6	168.2	54.1	0	0	0	0	109.4
639	D	25.2	Very low	28.9	Very low	154 Å²	154	130 Å²	130	82%	0.824	72%	0.718	S	S	*	*			trans	171.5	116.8	157.2	-92.4	-19.9	0	0	0	108.4
640	F	29.9	Very low	28.9	Very low	216 Å²	216	127.8 Å²	127.8	95%	0.947	72%	0.715	S	S	*	*			trans	173.1	118.9	147.4	-97.1	-60.6	0	0	0	109.9
641	S	26.8	Very low	28.7	Very low	117 Å²	117	129.1 Å²	129.1	82%	0.818	73%	0.726	S	S	*	*			trans	-74.9	151.7	-179.7	-58	0	0	0	0	112.9
642	P	27.8	Very low	28.5	Very low	124 Å²	124	129 Å²	129	81%	0.805	74%	0.739	S	S	*	*			trans	-92.4	119.6	-175.8	34.1	-32.6	0	0	0	113.6
643	E	26	Very low	28.4	Very low	198 Å²	198	132.8 Å²	132.8	93%	0.925	75%	0.745	S	S	*	*			trans	-125.7	128.4	152.3	-73.4	-165.6	143.7	0	0	109.4
644	M	24.4	Very low	28	Very low	181 Å²	181	136.7 Å²	136.7	89%	0.892	76%	0.758	S	S	*	*			trans	-128.8	123.5	175.3	-81.7	-165.3	176.4	0	0	110.2
645	I	27.7	Very low	27.7	Very low	167 Å²	167	137.3 Å²	137.3	86%	0.856	77%	0.772	S	S	*	*			trans	-132.4	109	159.2	-56.9	-179	0	0	0	107.6
646	P	25.3	Very low	27.6	Very low	126 Å²	126	139 Å²	139	82%	0.818	78%	0.784	S	S	*	*			trans	-91.1	126.2	-177.3	33.1	-31.5	0	0	0	112.1
647	C	26.5	Very low	27.6	Very low	134 Å²	134	139.3 Å²	139.3	91%	0.905	79%	0.79	S	S	*	*			trans	-114.6	111.8	167.5	-89.2	0	0	0	0	110.9
648	S	26.9	Very low	27.4	Very low	112 Å²	112	140.2 Å²	140.2	78%	0.783	80%	0.797	S	S	*	*			trans	-84.8	134.5	177.5	54.7	0	0	0	0	112.5
649	S	30.3	Very low	27.7	Very low	109 Å²	109	139.6 Å²	139.6	76%	0.762	79%	0.794	S	S	*	*				176	135.5	120.6	44.5	0	0	0	0	116
650	S	31	Very low	27.8	Very low	89 Å²	89	138.8 Å²	138.8	62%	0.622	79%	0.789	S	S	*	*			trans	59.2	110.5	147.1	59.6	0	0	0	0	122.7
651	T	28	Very low	27.5	Very low	98 Å²	98	137.9 Å²	137.9	60%	0.601	78%	0.781	S	S	*	*			trans	77.9	118.1	136.5	56.7	0	0	0	0	120.6
652	P	27.3	Very low	27.6	Very low	131 Å²	131	140.4 Å²	140.4	85%	0.851	79%	0.785	S	S	*	*			trans	-86.5	164.6	170.9	37	-35.5	0	0	0	112.8
653	Y	27.4	Very low	27.6	Very low	198 Å²	198	139.8 Å²	139.8	78%	0.776	78%	0.783	S	S	*	*			trans	-144.2	130.7	175.4	-151.9	-88.7	0	0	0	111.6
654	Y	25.5	Very low	27.8	Very low	223 Å²	223	135.6 Å²	135.6	88%	0.875	77%	0.773	S	S	*	*			trans	-91.4	135.3	174.6	-100.8	-88.6	0	0	0	111.1
655	P	29.4	Very low	27.8	Very low	99 Å²	99	134.9 Å²	134.9	64%	0.643	77%	0.772	S	S	*	*			trans	-132.5	135	137.7	18.2	2.1	0	0	0	110.5
656	S	28.9	Very low	27.9	Very low	99 Å²	99	132.5 Å²	132.5	69%	0.692	77%	0.77	S	S	*	*				71.3	91.7	54.3	82.9	0	0	0	0	115.3
657	V	30.5	Very low	28.1	Very low	136 Å²	136	131.2 Å²	131.2	82%	0.824	76%	0.764	S	S	*	*			trans	51.4	111.9	141.6	-164.5	0	0	0	0	119.7
658	C	24.9	Very low	28.3	Very low	114 Å²	114	130 Å²	130	77%	0.77	76%	0.758	S	S	*	*				16.2	161.5	127.9	-72.6	0	0	0	0	122.6
659	P	32.9	Very low	28.5	Very low	106 Å²	106	129.9 Å²	129.9	69%	0.688	76%	0.756	S	S	*	*			cis	-145.8	-171.3	-15.9	38.2	-16.5	0	0	0	116.6
660	L	26.4	Very low	28.6	Very low	138 Å²	138	129 Å²	129	72%	0.723	75%	0.75	S	S	*	*			trans	74.2	132.5	157	-58.8	-178.7	0	0	0	121.9
661	Y	24.4	Very low	28.7	Very low	196 Å²	196	130.9 Å²	130.9	77%	0.769	76%	0.758	S	S	*	*			trans	14.3	124	151.1	-67.8	-101.8	0	0	0	121.2
662	L	29.2	Very low	28.7	Very low	171 Å²	171	132.7 Å²	132.7	90%	0.895	76%	0.764	S	S	*	*				-165.1	144.2	114.8	-128.6	71.3	0	0	0	111.4
663	S	25.7	Very low	28.7	Very low	110 Å²	110	134.2 Å²	134.2	77%	0.769	76%	0.764	S	S	*	*			trans	-113.6	151.6	165.2	-52.8	0	0	0	0	108.1
664	P	30.3	Very low	28.8	Very low	111 Å²	111	131.4 Å²	131.4	72%	0.721	76%	0.761	S	S	*	*				-161.2	159.2	93.6	40.5	-20.2	0	0	0	119.8
665	L	25	Very low	29.1	Very low	165 Å²	165	126.6 Å²	126.6	86%	0.864	76%	0.758	S	S	*	*			trans	66.1	157.6	141.3	-95.5	77.6	0	0	0	125.3
666	S	29.9	Very low	28.9	Very low	117 Å²	117	127.5 Å²	127.5	82%	0.818	76%	0.761	S	S	*	*			trans	80.8	139.9	166.1	75.3	0	0	0	0	117.7
667	S	30.6	Very low	29	Very low	100 Å²	100	130.2 Å²	130.2	70%	0.699	77%	0.766	S	S	*	*			cis	-153.1	153.4	-0.3	56.7	0	0	0	0	113.6
668	S	30.5	Very low	28.8	Very low	109 Å²	109	128 Å²	128	76%	0.762	76%	0.757	S	S	*	*			trans	51.4	137.4	152.9	56.8	0	0	0	0	120.8
669	S	30.4	Very low	29.1	Very low	108 Å²	108	131.6 Å²	131.6	76%	0.755	76%	0.76	S	S	*	*			cis	-172.5	-166.3	-9.4	61.6	0	0	0	0	106.9
670	S	32.5	Very low	28.7	Very low	91 Å²	91	134.6 Å²	134.6	64%	0.636	77%	0.767	S	S	*	*			cis	-173.5	153.3	-1.6	23.7	0	0	0	0	109.1
671	V	32.5	Very low	28.9	Very low	129 Å²	129	137.6 Å²	137.6	78%	0.782	77%	0.774	S	S	*	*			trans	67.7	132.8	152.7	166.7	0	0	0	0	117.8
672	N	28.2	Very low	29.1	Very low	135 Å²	135	132.5 Å²	132.5	72%	0.722	77%	0.767	S	S	*	*			cis	-170.4	172	-18.7	-120.8	-11.4	0	0	0	112.6
673	L	28.5	Very low	29	Very low	164 Å²	164	131.8 Å²	131.8	86%	0.859	76%	0.763	S	S	*	*			trans	76.8	119.5	152.9	-74.7	158.8	0	0	0	121.5
674	L	27.7	Very low	29.2	Very low	138 Å²	138	135.7 Å²	135.7	72%	0.723	77%	0.766	S	S	*	*			trans	-100.6	166.5	163.1	-121.7	153.5	0	0	0	108.6
675	P	33.2	Very low	29	Very low	123 Å²	123	133.9 Å²	133.9	80%	0.799	76%	0.756	S	S	*	*				-150.5	155.4	102.7	37.5	-20.4	0	0	0	117.2
676	T	25.6	Very low	29.4	Very low	117 Å²	117	132.4 Å²	132.4	72%	0.718	75%	0.749	S	S	*	*			trans	-79	160.8	170.2	-27.5	0	0	0	0	112.3
677	I	29.9	Very low	29.2	Very low	156 Å²	156	133.4 Å²	133.4	80%	0.8	74%	0.743	S	S	*	*				179.8	129.1	129.3	-94.4	156.4	0	0	0	115.5
678	S	25.9	Very low	29.3	Very low	90 Å²	90	133.5 Å²	133.5	63%	0.629	74%	0.741	S	S	*	*			trans	7.9	135.7	152.7	-44.1	0	0	0	0	124.7
679	K	31	Very low	29.2	Very low	190 Å²	190	135.5 Å²	135.5	83%	0.826	74%	0.743	S	S	*	*				179.1	126.8	109.5	-91.9	153.1	-173	172	0	109.8
680	M	24.8	Very low	29	Very low	169 Å²	169	140.3 Å²	140.3	83%	0.833	75%	0.747	S	S	*	*				85.6	141.9	60.9	-86.5	-167.8	166.3	0	0	115.3
681	K	31.5	Very low	28.8	Very low	200 Å²	200	140.7 Å²	140.7	87%	0.87	75%	0.749	S	S	*	*			trans	83.6	145.7	169.8	-61.2	-177.6	-179.7	-177.2	0	117.4
682	S	28.2	Very low	28.4	Very low	90 Å²	90	140.9 Å²	140.9	63%	0.629	75%	0.746	S	S	*	*			cis	-170.8	135.9	-19.3	49.5	0	0	0	0	113.9
683	I	27.1	Very low	28.3	Very low	156 Å²	156	140.2 Å²	140.2	80%	0.8	74%	0.741	S	S	*	*			trans	46.6	113.7	135.3	-45.7	163.8	0	0	0	119
684	K	30.4	Very low	28.1	Very low	192 Å²	192	138.5 Å²	138.5	84%	0.835	73%	0.733	S	S	*	*				164.9	155.2	125.2	-93.5	-169.7	-179.2	-172.6	0	110.2
685	S	26.6	Very low	28.1	Very low	73 Å²	73	142.5 Å²	142.5	51%	0.51	74%	0.74	S	S	.	*			cis	-170	170	-34.2	46.2	0	0	0	0	107.7
686	D	32.1	Very low	27.7	Very low	134 Å²	134	141.5 Å²	141.5	72%	0.717	74%	0.736	S	S	*	*			trans	70.4	143	159.8	-40.8	-50.1	0	0	0	118.1
687	I	27.2	Very low	28	Very low	138 Å²	138	141.4 Å²	141.4	71%	0.708	74%	0.735	S	S	*	*			cis	-157.4	148.2	-31.2	-119.1	155.6	0	0	0	107.4
688	P	31.6	Very low	27.7	Very low	101 Å²	101	140.9 Å²	140.9	66%	0.656	73%	0.734	S	S	*	*			trans	-91	151.8	-176.6	35.4	-34.8	0	0	0	114.3
689	N	29.4	Very low	27.6	Very low	151 Å²	151	142.8 Å²	142.8	81%	0.807	74%	0.736	S	S	*	*			trans	-139	127.1	151.6	-79.7	-59.2	0	0	0	106.7
690	Y	24.5	Very low	27.4	Very low	209 Å²	209	141 Å²	141	82%	0.82	73%	0.731	S	S	*	*			cis	69.3	149.4	46.9	-93.9	-85.4	0	0	0	115.7
691	S	28.3	Very low	27.4	Very low	99 Å²	99	138 Å²	138	69%	0.692	73%	0.727	S	S	*	*			trans	80.1	136.8	-174.3	77.9	0	0	0	0	116.8
692	N	25.4	Very low	27.3	Very low	133 Å²	133	134 Å²	134	71%	0.711	72%	0.718	S	S	*	*			cis	-158	140.9	-13	-112.4	-5.1	0	0	0	113.8
693	I	26	Very low	27.2	Very low	121 Å²	121	136.6 Å²	136.6	62%	0.621	73%	0.725	S	S	*	*			trans	63.6	112.5	133.9	-60.9	168.2	0	0	0	119.8
694	D	24.2	Very low	27.2	Very low	128 Å²	128	132.4 Å²	132.4	68%	0.684	71%	0.714	S	S	*	*			trans	10.3	147.2	133	-43.4	-62.7	0	0	0	120.9
695	Y	28.4	Very low	27.3	Very low	223 Å²	223	133.9 Å²	133.9	88%	0.875	72%	0.716	S	S	*	*				-145.8	120.5	112.6	-110.8	-71.5	0	0	0	112.3
696	S	24.8	Very low	27.5	Very low	102 Å²	102	135.3 Å²	135.3	71%	0.713	73%	0.726	S	S	*	*			trans	-106.2	113.4	175	58.7	0	0	0	0	111.9
697	T	29.9	Very low	27.4	Very low	115 Å²	115	132.9 Å²	132.9	71%	0.706	72%	0.724	S	S	*	*			trans	-158.7	123.7	165.1	26.2	0	0	0	0	106.3
698	N	24.3	Very low	27.8	Very low	144 Å²	144	132.1 Å²	132.1	77%	0.77	73%	0.726	S	S	*	*			cis	67.9	149.7	30.9	-149.5	-5.1	0	0	0	113
699	L	25.1	Very low	27.7	Very low	130 Å²	130	133.6 Å²	133.6	68%	0.681	73%	0.729	S	S	*	*			trans	76.2	146.3	-165.1	-69.8	86.7	0	0	0	116.2
700	Q	26.3	Very low	27.7	Very low	153 Å²	153	133.3 Å²	133.3	72%	0.715	73%	0.727	S	S	*	*			cis	-176.2	148.3	-34	-120.7	167.7	16.3	0	0	110.4
701	S	24.3	Very low	28	Very low	106 Å²	106	128.9 Å²	128.9	74%	0.741	72%	0.721	S	S	*	*			trans	64.5	165.5	157.9	73.2	0	0	0	0	115.8
702	V	29.3	Very low	28.3	Very low	115 Å²	115	129 Å²	129	70%	0.697	72%	0.72	S	S	*	*			cis	-133.7	143.3	15.7	-174.8	0	0	0	0	112
703	N	26.3	Very low	28.5	Very low	145 Å²	145	131.4 Å²	131.4	78%	0.775	73%	0.727	S	S	*	*			trans	-18.1	165.2	153.4	-35.4	-33.4	0	0	0	117.6
704	A	28.2	Very low	28.7	Very low	68 Å²	68	133.8 Å²	133.8	56%	0.562	74%	0.737	S	S	*	*			cis	-168.7	166.6	26.8	0	0	0	0	0	115
705	Y	30.7	Very low	29.1	Very low	224 Å²	224	133.2 Å²	133.2	88%	0.878	74%	0.74	S	S	*	*			trans	63.4	142.7	154.3	-55.6	-54.1	0	0	0	119.5
706	S	31.4	Very low	29.6	Very low	102 Å²	102	127.7 Å²	127.7	71%	0.713	73%	0.732	S	S	*	*			cis	-166.1	147.5	-12.8	47.3	0	0	0	0	112.7
707	A	30.7	Very low	29.6	Very low	83 Å²	83	128.1 Å²	128.1	69%	0.686	74%	0.735	S	S	*	*			trans	3.2	134.2	157.4	0	0	0	0	0	119.4
708	T	34.2	Very low	29.4	Very low	122 Å²	122	129.8 Å²	129.8	75%	0.748	74%	0.738	S	S	*	*				173.2	171.8	82.6	37.7	0	0	0	0	108.1
709	N	29.8	Very low	29.4	Very low	133 Å²	133	131.5 Å²	131.5	71%	0.711	74%	0.739	S	S	*	*			cis	-168.5	159.5	-25.3	-94.2	-0.6	0	0	0	105.6
710	L	30.9	Very low	29.3	Very low	145 Å²	145	131.3 Å²	131.3	76%	0.759	74%	0.739	S	S	*	*			cis	-155.7	-176	-4.5	-123.6	172.1	0	0	0	109
711	T	30.2	Very low	29.2	Very low	116 Å²	116	130 Å²	130	71%	0.712	74%	0.736	S	S	*	*			trans	-129.5	-165.2	168.6	63.7	0	0	0	0	108.5
712	P	35.1	Very low	29.2	Very low	101 Å²	101	134.9 Å²	134.9	66%	0.656	74%	0.739	S	S	*	*			cis	-127.4	-175.7	-28.1	24.2	-1.5	0	0	0	112.3
713	Q	28	Very low	29	Very low	184 Å²	184	136.4 Å²	136.4	86%	0.86	74%	0.743	S	S	*	*				164.3	162.1	113.2	-83.4	-168.7	14.7	0	0	114.4
714	M	31.8	Very low	28.9	Very low	170 Å²	170	136.6 Å²	136.6	84%	0.837	74%	0.742	S	S	*	*			trans	-108.6	-161.7	-174	-63.3	-177.9	68.9	0	0	108.9
715	P	32.2	Very low	28.8	Very low	116 Å²	116	143.6 Å²	143.6	75%	0.753	75%	0.754	S	S	*	*			cis	-139.2	-147.8	4.3	53.2	-32.7	0	0	0	112.5
716	P	39	Very low	28.5	Very low	108 Å²	108	140.1 Å²	140.1	70%	0.701	75%	0.751	S	S	*	*			trans	-129.4	-151.5	-141.3	35	-7.5	0	0	0	114
717	S	24.9	Very low	28.3	Very low	111 Å²	111	141 Å²	141	78%	0.776	76%	0.755	S	S	*	*			trans	72.9	159.8	-179.7	78.1	0	0	0	0	113.7
718	I	25.2	Very low	28.3	Very low	149 Å²	149	142.9 Å²	142.9	76%	0.764	76%	0.761	S	S	*	*			cis	-133.2	156.7	23.8	-71	178.4	0	0	0	112.5
719	F	23.6	Very low	27.8	Very low	180 Å²	180	145.2 Å²	145.2	79%	0.789	77%	0.765	S	S	*	*			trans	-11.5	159.5	164.9	-82.2	-106.2	0	0	0	122.9
720	N	24.3	Very low	27.8	Very low	126 Å²	126	146.8 Å²	146.8	67%	0.674	77%	0.774	S	S	*	*			trans	99.6	95	140.3	-83.2	-33.5	0	0	0	121.6
721	N	23.7	Very low	27.4	Very low	125 Å²	125	145.6 Å²	145.6	67%	0.668	77%	0.773	S	S	*	*				70.2	136.8	106.5	-102.8	-53.6	0	0	0	122.2
722	R	24.5	Very low	27.4	Very low	209 Å²	209	147.9 Å²	147.9	79%	0.789	78%	0.777	S	S	*	*			trans	73.2	123.3	156.5	-62.6	167.9	-178.2	177.4	-0.7	117.6
723	N	23.8	Very low	27.1	Very low	147 Å²	147	150.8 Å²	150.8	79%	0.786	78%	0.782	S	S	*	*				40	129.3	129	-44.1	-18.4	0	0	0	117.2
724	I	25.9	Very low	27	Very low	149 Å²	149	149.9 Å²	149.9	76%	0.764	78%	0.778	S	S	*	*				-162.1	137.5	71.7	-86.7	162.4	0	0	0	111.3
725	R	24.4	Very low	26.7	Very low	215 Å²	215	148.2 Å²	148.2	81%	0.811	77%	0.772	S	S	*	*			trans	21.2	151	146	-52	177.9	177.1	168.7	-2.2	122.9
726	N	25.6	Very low	26.6	Very low	151 Å²	151	149 Å²	149	81%	0.807	78%	0.775	S	S	*	*			trans	89	130.9	146.3	-67.3	-7.7	0	0	0	120.6
727	C	26.9	Very low	25.9	Very low	120 Å²	120	151.7 Å²	151.7	81%	0.811	78%	0.778	S	S	*	*			trans	-73.9	173.8	154.6	-53.3	0	0	0	0	110.4
728	P	30.4	Very low	26	Very low	124 Å²	124	154.7 Å²	154.7	81%	0.805	78%	0.784	S	S	*	*				-140.3	178.4	94.3	38.6	-26.1	0	0	0	115.1
729	M	23.9	Very low	26.1	Very low	170 Å²	170	155.7 Å²	155.7	84%	0.837	78%	0.783	S	S	*	*			trans	-59.2	158.8	164.4	-61	-75.5	-153.9	0	0	111.2
730	N	28.7	Very low	26.4	Very low	166 Å²	166	154.1 Å²	154.1	89%	0.888	78%	0.782	S	S	*	*			trans	-124	123.7	155.8	-112.3	-4.5	0	0	0	109.9
731	T	22.5	Very low	26.6	Very low	121 Å²	121	155 Å²	155	74%	0.742	79%	0.786	S	S	*	*			trans	-128.5	109.2	174.4	46.7	0	0	0	0	109
732	M	30.7	Very low	26.8	Very low	163 Å²	163	155.9 Å²	155.9	80%	0.803	79%	0.79	S	S	*	*			trans	-135.1	117.2	162.6	-61.4	-156.7	80.4	0	0	106.2
733	Q	30	Very low	27.1	Very low	163 Å²	163	151 Å²	151	76%	0.762	79%	0.788	S	S	*	*				80	97.8	65.3	-75.9	-170.7	-42.8	0	0	113.6
734	H	26.1	Very low	27.3	Very low	164 Å²	164	152.2 Å²	152.2	76%	0.759	79%	0.789	S	S	*	*			trans	41.1	125.3	142	-86.6	-69.9	0	0	0	122.5
735	N	24.5	Very low	27.6	Very low	136 Å²	136	151 Å²	151	73%	0.727	79%	0.794	S	S	*	*			trans	70	156	146	-51.3	-6.7	0	0	0	115.1
736	T	29.8	Very low	27.7	Very low	131 Å²	131	147.6 Å²	147.6	80%	0.804	79%	0.792	S	S	*	*			cis	-140.7	167.6	17.9	-43.8	0	0	0	0	110.8
737	E	23.8	Very low	27.9	Very low	165 Å²	165	148.4 Å²	148.4	77%	0.771	80%	0.795	S	S	*	*			trans	-59.5	149	177.2	-52.6	-179.9	112.2	0	0	113.8
738	L	28.7	Very low	27.9	Very low	174 Å²	174	147.4 Å²	147.4	91%	0.911	79%	0.787	S	S	*	*			trans	-157.3	143.6	132.1	-110.8	164.1	0	0	0	110.6
739	K	27.1	Very low	27.7	Very low	170 Å²	170	152.3 Å²	152.3	74%	0.739	80%	0.796	S	S	*	*			trans	-79.5	161.4	-179.4	-66.3	158.4	-176.9	165.6	0	109.5
740	I	29.1	Very low	27.9	Very low	148 Å²	148	150.6 Å²	150.6	76%	0.759	79%	0.791	S	S	*	*				-179.4	144	93.6	-92.1	161.2	0	0	0	108.8
741	L	28.9	Very low	27.7	Very low	145 Å²	145	147 Å²	147	76%	0.759	78%	0.778	S	S	*	*			trans	19.7	134.4	153.8	-50.3	169.7	0	0	0	118.1
742	N	28	Very low	28	Very low	143 Å²	143	148.7 Å²	148.7	77%	0.765	78%	0.783	S	S	*	*			cis	-168.6	176.4	9.7	-123.9	10.9	0	0	0	108.3
743	S	31.2	Very low	27.9	Very low	105 Å²	105	148 Å²	148	73%	0.734	78%	0.781	S	S	*	*			cis	-146.9	-151.8	0.8	51.1	0	0	0	0	110
744	E	26.6	Very low	27.7	Very low	174 Å²	174	148.1 Å²	148.1	81%	0.813	79%	0.786	S	S	*	*			trans	-104.9	142.1	-164.8	-58.5	164	147.6	0	0	114.9
745	S	32.3	Very low	27.6	Very low	124 Å²	124	145.1 Å²	145.1	87%	0.867	78%	0.781	S	S	*	*				-164.5	135.4	126.5	17.2	0	0	0	0	109.8
746	N	27.4	Very low	27.7	Very low	143 Å²	143	144.9 Å²	144.9	77%	0.765	78%	0.779	S	S	*	*			trans	-98.7	148.1	-167.6	-64.2	-73.6	0	0	0	112.5
747	L	28.7	Very low	27.7	Very low	168 Å²	168	148.1 Å²	148.1	88%	0.88	79%	0.785	S	S	*	*				176.6	152.1	115.7	-89.6	160	0	0	0	110.6
748	P	27.3	Very low	27.8	Very low	98 Å²	98	146.4 Å²	146.4	64%	0.636	79%	0.786	S	S	*	*			trans	-89.9	147.4	-164.4	34.2	-35.7	0	0	0	114.8	N750	P748-N750 PolarHBondContact O-N 3.25Å
749	F	27.5	Very low	27.9	Very low	227 Å²	227	140.6 Å²	140.6	100%	0.996	76%	0.76	S	S	*	*			trans	-67.4	93.7	158.3	-94.2	-95.2	0	0	0	109.4
750	N	27.1	Very low	28.2	Very low	135 Å²	135	142.8 Å²	142.8	72%	0.722	77%	0.765	S	S	*	*			trans	-92.8	149	-179.6	-154.1	1.6	0	0	0	112	P748	P748-N750 PolarHBondContact O-N 3.25Å
751	S	24.7	Very low	28.4	Very low	90 Å²	90	142.2 Å²	142.2	63%	0.629	76%	0.763	S	S	*	*			trans	-82.7	127	-170.2	41.9	0	0	0	0	113.5
752	N	29	Very low	28.8	Very low	157 Å²	157	138.4 Å²	138.4	84%	0.84	75%	0.752	S	S	*	*			trans	-125.2	96.3	157.2	-74.1	-60.6	0	0	0	106.7
753	L	28.1	Very low	29.1	Very low	147 Å²	147	138.9 Å²	138.9	77%	0.77	76%	0.755	S	S	*	*				57.5	114.1	78.8	-76.4	166.6	0	0	0	113.9	P755	L753-P755 WeakPolarHBondContact O-CD 3.38Å
754	I	26.1	Very low	29.8	Very low	166 Å²	166	135.9 Å²	135.9	85%	0.851	73%	0.733	S	S	*	*			trans	-56.2	132	166.3	-66.5	155.3	0	0	0	109.2
755	P	25.2	Very low	30.7	Very low	102 Å²	102	133.7 Å²	133.7	66%	0.662	72%	0.723	S	S	*	*				-148.1	179.8	118	37.4	-20.4	0	0	0	115.3	L753	L753-P755 WeakPolarHBondContact O-CD 3.38Å
756	L	26.2	Very low	31.7	Very low	130 Å²	130	134.3 Å²	134.3	68%	0.681	72%	0.715	S	S	*	*			trans	76.7	84.6	161.5	-52.7	179.8	0	0	0	119.3
757	Q	28.5	Very low	32.7	Very low	199 Å²	199	132.3 Å²	132.3	93%	0.93	70%	0.7	S	S	*	*	S	Bend	trans	-134.5	8.7	133.4	-131.8	176	12.4	0	0	114.2
758	T	27.2	Very low	33.9	Very low	130 Å²	130	133.3 Å²	133.3	80%	0.798	69%	0.692	S	S	*	*	S	Bend	trans	-98.1	-5	-176.5	44.6	0	0	0	0	114.7
759	S	30.8	Very low	35.7	Very low	51 Å²	51	134.4 Å²	134.4	36%	0.357	69%	0.687	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.6	-18.6	-171.3	50.1	0	0	0	0	115.5	L761	S759-L761 PolarHBondContact O-N 3.07Å
760	Y	32.1	Very low	37.2	Very low	216 Å²	216	130.3 Å²	130.3	85%	0.847	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-13.1	-168.9	-111.9	-89.1	0	0	0	115.9
761	L	34.6	Very low	38.8	Very low	137 Å²	137	128.1 Å²	128.1	72%	0.717	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-28.3	175.7	-77.2	164.9	0	0	0	113.2	S759 N763 S764	S759-L761 PolarHBondContact O-N 3.07Å; L761-N763 VanDerWaalsContact C-N 3.3Å; L761-N763 PolarHBondContact O-N 3.44Å; L761-S764 WeakPolarHBondContact O-CB 3.49Å; L761-S764 PolarHBondContact O-N 3.3Å
762	A	36.1	Very low	40.6	Very low	65 Å²	65	129 Å²	129	54%	0.537	65%	0.653	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.2	-27.5	-173.4	0	0	0	0	0	114
763	N	35.3	Very low	42.3	Very low	153 Å²	153	127.7 Å²	127.7	82%	0.818	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	5.6	179.9	-73.1	-21.6	0	0	0	113.9	L761 E765	L761-N763 VanDerWaalsContact C-N 3.3Å; L761-N763 PolarHBondContact O-N 3.44Å; N763-E765 PolarHBondContact O-N 2.79Å
764	S	46.2	Very low	43.4	Very low	41 Å²	41	122.4 Å²	122.4	29%	0.287	62%	0.619	S	S	.	*			trans	-70	123.5	175.3	177.2	0	0	0	0	111.1	L761 I766 F767 R768	L761-S764 WeakPolarHBondContact O-CB 3.49Å; L761-S764 PolarHBondContact O-N 3.3Å; S764-I766 PolarHBondContact O-N 2.8Å; S764-I766 PolarHBondContact OG-N 2.99Å; S764-F767 WeakPolarHBondContact O-CB 3.35Å; S764-F767 PolarHBondContact O-N 3.4Å; S764-F767 PolarHBondContact OG-N 3.33Å; S764-R768 PolarHBondContact O-N 3.01Å
765	E	45.1	Very low	44.7	Very low	129 Å²	129	117.6 Å²	117.6	60%	0.603	60%	0.599	S	S	*	*	H	α-helix	trans	-59.6	-29.9	174.4	-155.4	-161.3	154.5	0	0	111.8	N763 R768 K769	N763-E765 PolarHBondContact O-N 2.79Å; E765-R768 PolarHBondContact O-N 3.03Å; E765-K769 WeakPolarHBondContact O-CB 3.4Å; E765-K769 WeakPolarHBondContact O-CG 3.21Å; E765-K769 PolarHBondContact O-N 2.88Å; E765-K769 WeakPolarHBondContact OE1-CE 3.22Å; E765-K769 IonicContact OE1-NZ 2.61Å; E765-K769 PolarHBondContact OE1-NZ 3.04Å; E765-K769 IonicContact OE2-NZ 3.97Å
766	I	52.5	Low	46.2	Very low	136 Å²	136	117.7 Å²	117.7	70%	0.697	59%	0.594	S	S	*	*	H	α-helix	trans	-67.2	-43.7	174.6	-56.4	170	0	0	0	110.2	S764 K769 F770	S764-I766 PolarHBondContact O-N 2.8Å; S764-I766 PolarHBondContact OG-N 2.99Å; I766-K769 PolarHBondContact O-N 2.93Å; I766-F770 WeakPolarHBondContact O-CB 3.43Å; I766-F770 PolarHBondContact O-N 3.49Å
767	F	47.9	Very low	47.2	Very low	101 Å²	101	114.2 Å²	114.2	44%	0.443	58%	0.58	S	S	.	*	H	α-helix	trans	-64.6	-40.9	175.7	-174.3	-102.4	0	0	0	111.3	S764 K769 F770 M771	S764-F767 WeakPolarHBondContact O-CB 3.35Å; S764-F767 PolarHBondContact O-N 3.4Å; S764-F767 PolarHBondContact OG-N 3.33Å; F767-K769 PolarHBondContact O-N 3.12Å; F767-F770 PolarHBondContact O-N 3.15Å; F767-M771 HydrophobicContact CD1-CG 4.11Å; F767-M771 HydrophobicContact CE1-CG 3.7Å; F767-M771 HydrophobicContact CE1-SD 4.37Å; F767-M771 HydrophobicContact CE2-CG 4.3Å; F767-M771 HydrophobicContact CE2-SD 4.36Å; F767-M771 HydrophobicContact CZ-CG 3.8Å; F767-M771 HydrophobicContact CZ-SD 3.9Å; F767-M771 WeakPolarHBondContact O-CG 3.43Å; F767-M771 PolarHBondContact O-N 3.08Å
768	R	54.6	Low	48.1	Very low	189 Å²	189	109.3 Å²	109.3	71%	0.713	56%	0.56	S	S	*	*	H	α-helix	trans	-62.7	-41.2	176.6	-146.8	173.5	-166.3	164	4.1	112.1	S764 E765 L772	S764-R768 PolarHBondContact O-N 3.01Å; E765-R768 PolarHBondContact O-N 3.03Å; R768-L772 WeakPolarHBondContact O-CB 3.39Å; R768-L772 WeakPolarHBondContact O-CG 3.28Å; R768-L772 PolarHBondContact O-N 3.3Å; R768-L772 VanDerWaalsContact O-N 3.08Å
769	K	64.3	Low	48.9	Very low	122 Å²	122	108 Å²	108	53%	0.53	55%	0.548	S	S	.	.	H	α-helix	trans	-66.6	-40.4	173.1	-75.5	168.9	-179.3	167.7	0	112.4	E765 I766 F767 L772 Q773	E765-K769 WeakPolarHBondContact O-CB 3.4Å; E765-K769 WeakPolarHBondContact O-CG 3.21Å; E765-K769 PolarHBondContact O-N 2.88Å; E765-K769 WeakPolarHBondContact OE1-CE 3.22Å; E765-K769 IonicContact OE1-NZ 2.61Å; E765-K769 PolarHBondContact OE1-NZ 3.04Å; E765-K769 IonicContact OE2-NZ 3.97Å; I766-K769 PolarHBondContact O-N 2.93Å; F767-K769 PolarHBondContact O-N 3.12Å; K769-L772 PolarHBondContact O-N 3.4Å; K769-Q773 WeakPolarHBondContact O-CB 3.28Å; K769-Q773 PolarHBondContact O-N 3.18Å
770	F	59.6	Low	49.9	Very low	141 Å²	141	113 Å²	113	62%	0.618	57%	0.566	S	S	*	*	H	α-helix	trans	-64.1	-44.9	176.4	-172.1	-91.7	0	0	0	112.4	I766 F767 Q773 A774	I766-F770 WeakPolarHBondContact O-CB 3.43Å; I766-F770 PolarHBondContact O-N 3.49Å; F767-F770 PolarHBondContact O-N 3.15Å; F770-Q773 WeakPolarHBondContact O-CB 3.48Å; F770-Q773 PolarHBondContact O-N 3.36Å; F770-A774 PolarHBondContact O-N 2.87Å
771	M	60.7	Low	50.9	Low	88 Å²	88	110.1 Å²	110.1	43%	0.433	56%	0.56	S	S	.	*	H	α-helix	trans	-63.6	-41.4	175.9	-70.2	-60.7	-63.8	0	0	112	F767 A774 C775	F767-M771 HydrophobicContact CD1-CG 4.11Å; F767-M771 HydrophobicContact CE1-CG 3.7Å; F767-M771 HydrophobicContact CE1-SD 4.37Å; F767-M771 HydrophobicContact CE2-CG 4.3Å; F767-M771 HydrophobicContact CE2-SD 4.36Å; F767-M771 HydrophobicContact CZ-CG 3.8Å; F767-M771 HydrophobicContact CZ-SD 3.9Å; F767-M771 WeakPolarHBondContact O-CG 3.43Å; F767-M771 PolarHBondContact O-N 3.08Å; M771-A774 PolarHBondContact O-N 3.19Å; M771-C775 PolarHBondContact O-N 2.74Å; M771-C775 PolarHBondContact O-SG 3.43Å; M771-C775 VanDerWaalsContact O-SG 3.32Å
772	L	62.5	Low	51.3	Low	109 Å²	109	111.5 Å²	111.5	57%	0.571	56%	0.563	S	S	*	*	H	α-helix	trans	-62.4	-42.1	173.8	-77.2	166.6	0	0	0	112.2	R768 K769 A774 C775 L776	R768-L772 WeakPolarHBondContact O-CB 3.39Å; R768-L772 WeakPolarHBondContact O-CG 3.28Å; R768-L772 PolarHBondContact O-N 3.3Å; R768-L772 VanDerWaalsContact O-N 3.08Å; K769-L772 PolarHBondContact O-N 3.4Å; L772-A774 PolarHBondContact O-N 2.98Å; L772-C775 PolarHBondContact O-N 2.64Å; L772-L776 WeakPolarHBondContact O-CB 3.44Å; L772-L776 VanDerWaalsContact O-CG 3.29Å; L772-L776 WeakPolarHBondContact O-CG 3.45Å; L772-L776 PolarHBondContact O-N 3.44Å
773	Q	64.1	Low	51.5	Low	129 Å²	129	119 Å²	119	60%	0.603	59%	0.589	S	S	*	*	H	α-helix	trans	-59.4	-45.7	174.5	-166.8	77.5	25.5	0	0	111.2	K769 F770 L776 S777	K769-Q773 WeakPolarHBondContact O-CB 3.28Å; K769-Q773 PolarHBondContact O-N 3.18Å; F770-Q773 WeakPolarHBondContact O-CB 3.48Å; F770-Q773 PolarHBondContact O-N 3.36Å; Q773-L776 PolarHBondContact O-N 2.82Å; Q773-S777 PolarHBondContact O-N 2.84Å; Q773-S777 PolarHBondContact O-OG 2.99Å
774	A	52	Low	52.3	Low	36 Å²	36	117.3 Å²	117.3	30%	0.298	58%	0.578	S	S	.	*	H	α-helix	trans	-64.6	-43.2	178.5	0	0	0	0	0	112.7	F770 M771 L772 L776 S777 L778	F770-A774 PolarHBondContact O-N 2.87Å; M771-A774 PolarHBondContact O-N 3.19Å; L772-A774 PolarHBondContact O-N 2.98Å; A774-L776 VanDerWaalsContact C-N 3.35Å; A774-L776 PolarHBondContact O-N 2.83Å; A774-S777 PolarHBondContact O-N 2.9Å; A774-L778 WeakPolarHBondContact O-CG 3.4Å; A774-L778 PolarHBondContact O-N 3.28Å
775	C	52.4	Low	52.7	Low	66 Å²	66	121.3 Å²	121.3	45%	0.446	59%	0.593	S	S	.	*	H	α-helix	trans	-64.5	-36.8	175.2	-69	0	0	0	0	112.6	M771 L772 N779	M771-C775 PolarHBondContact O-N 2.74Å; M771-C775 PolarHBondContact O-SG 3.43Å; M771-C775 VanDerWaalsContact O-SG 3.32Å; L772-C775 PolarHBondContact O-N 2.64Å; C775-N779 WeakPolarHBondContact O-CB 3.19Å; C775-N779 PolarHBondContact O-N 3.3Å
776	L	56.6	Low	53.1	Low	104 Å²	104	120.9 Å²	120.9	55%	0.545	59%	0.592	S	S	.	*	H	α-helix	trans	-66.2	-42.7	173.9	-73.6	168	0	0	0	111.6	L772 Q773 A774 N779 Q780	L772-L776 WeakPolarHBondContact O-CB 3.44Å; L772-L776 VanDerWaalsContact O-CG 3.29Å; L772-L776 WeakPolarHBondContact O-CG 3.45Å; L772-L776 PolarHBondContact O-N 3.44Å; Q773-L776 PolarHBondContact O-N 2.82Å; A774-L776 VanDerWaalsContact C-N 3.35Å; A774-L776 PolarHBondContact O-N 2.83Å; L776-N779 PolarHBondContact O-N 3.32Å; L776-Q780 WeakPolarHBondContact O-CG 3.41Å; L776-Q780 PolarHBondContact O-N 2.76Å
777	S	48.4	Very low	53.1	Low	56 Å²	56	120 Å²	120	39%	0.392	59%	0.586	S	S	.	*	H	α-helix	trans	-64.7	-38.2	175.5	-64.2	0	0	0	0	113	Q773 A774 Q780 Q781	Q773-S777 PolarHBondContact O-N 2.84Å; Q773-S777 PolarHBondContact O-OG 2.99Å; A774-S777 PolarHBondContact O-N 2.9Å; S777-Q780 PolarHBondContact O-N 3.45Å; S777-Q781 PolarHBondContact O-N 3.29Å
778	L	46.4	Very low	53.4	Low	97 Å²	97	121.2 Å²	121.2	51%	0.508	60%	0.595	S	S	.	*	H	α-helix	trans	-67.9	-40.9	174.9	-76.9	164.7	0	0	0	112.1	A774 Q780 Q781 H782	A774-L778 WeakPolarHBondContact O-CG 3.4Å; A774-L778 PolarHBondContact O-N 3.28Å; L778-Q780 VanDerWaalsContact C-N 3.25Å; L778-Q780 PolarHBondContact O-N 2.85Å; L778-Q781 CarbonylContact O-C 3.51Å; L778-Q781 PolarHBondContact O-N 3.19Å; L778-H782 PolarHBondContact O-N 2.85Å; L778-H782 VanDerWaalsContact O-N 3.16Å
779	N	44.3	Very low	53.4	Low	103 Å²	103	116.7 Å²	116.7	55%	0.551	59%	0.587	S	S	*	*	H	α-helix	trans	-66.3	-27.1	174.1	-78.5	-8.1	0	0	0	112.6	C775 L776 Q781 H782 M783	C775-N779 WeakPolarHBondContact O-CB 3.19Å; C775-N779 PolarHBondContact O-N 3.3Å; L776-N779 PolarHBondContact O-N 3.32Å; N779-Q781 PolarHBondContact O-N 3.29Å; N779-H782 PolarHBondContact O-N 3.2Å; N779-M783 WeakPolarHBondContact O-CB 3.42Å; N779-M783 WeakPolarHBondContact O-CG 3.04Å; N779-M783 PolarHBondContact O-N 2.65Å
780	Q	52.8	Low	52.6	Low	155 Å²	155	116.3 Å²	116.3	72%	0.724	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	1.3	170.1	-73.5	-177.1	-33.5	0	0	114.2	L776 S777 L778	L776-Q780 WeakPolarHBondContact O-CG 3.41Å; L776-Q780 PolarHBondContact O-N 2.76Å; S777-Q780 PolarHBondContact O-N 3.45Å; L778-Q780 VanDerWaalsContact C-N 3.25Å; L778-Q780 PolarHBondContact O-N 2.85Å
781	Q	52.9	Low	52	Low	156 Å²	156	114.4 Å²	114.4	73%	0.729	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.7	-4.4	170.5	-68.4	-178.6	-33.6	0	0	112.6	S777 L778 N779	S777-Q781 PolarHBondContact O-N 3.29Å; L778-Q781 CarbonylContact O-C 3.51Å; L778-Q781 PolarHBondContact O-N 3.19Å; N779-Q781 PolarHBondContact O-N 3.29Å
782	H	43.1	Very low	51.3	Low	166 Å²	166	116.6 Å²	116.6	77%	0.769	60%	0.602	S	S	*	*			trans	-112.7	1.9	176.6	-101.1	-71.2	0	0	0	113.5	L778 N779	L778-H782 PolarHBondContact O-N 2.85Å; L778-H782 VanDerWaalsContact O-N 3.16Å; N779-H782 PolarHBondContact O-N 3.2Å
783	M	40.7	Very low	50.3	Low	222 Å²	222	117.3 Å²	117.3	100%	1.094	61%	0.605	S	S	*	*			trans	-119.2	0	172.3	-68.6	-79.1	176	0	0	108.9	N779	N779-M783 WeakPolarHBondContact O-CB 3.42Å; N779-M783 WeakPolarHBondContact O-CG 3.04Å; N779-M783 PolarHBondContact O-N 2.65Å

Retrieved 783 of 783 residues in 1238.3 ms (Link to these results)

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