A0A5K4FD30_SCHMA Loading...

RGS domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FD30, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 692 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	Very low	33.5	Very low	227 Å²	227	148.9 Å²	148.9	100%	1.118	79%	0.788	S	S	*	*				0	79.8	0	-66.2	170.3	178.8	0	0	106
2	N	34.2	Very low	33.3	Very low	138 Å²	138	149.7 Å²	149.7	74%	0.738	79%	0.791	S	S	*	*				76.2	122.3	60.2	-67.7	71.3	0	0	0	110.3
3	D	37.2	Very low	32.9	Very low	127 Å²	127	153.5 Å²	153.5	68%	0.679	79%	0.788	S	S	*	*			cis	-138.3	154.5	0.2	-75.6	-50.7	0	0	0	109.9
4	K	33.2	Very low	32.9	Very low	190 Å²	190	152.4 Å²	152.4	83%	0.826	79%	0.793	S	S	*	*			cis	79.8	89.7	45	-102.5	-165.4	176.7	-163.6	0	115.5
5	S	37.1	Very low	32.6	Very low	118 Å²	118	151.3 Å²	151.3	83%	0.825	79%	0.788	S	S	*	*			trans	162.2	134.2	132.1	39.6	0	0	0	0	109.2
6	E	31.3	Very low	32.5	Very low	176 Å²	176	154.1 Å²	154.1	82%	0.822	79%	0.792	S	S	*	*			cis	99.1	142.8	16.8	-162.1	170.3	-119.9	0	0	114.9
7	L	34.4	Very low	32.3	Very low	148 Å²	148	156.4 Å²	156.4	78%	0.775	80%	0.795	S	S	*	*			trans	69.2	141.3	-169.5	-47.8	-178.6	0	0	0	113.6
8	N	34.2	Very low	32.2	Very low	130 Å²	130	154.8 Å²	154.8	70%	0.695	79%	0.794	S	S	*	*			cis	-140.2	157.8	-10.7	-92.7	-27.8	0	0	0	107.9
9	S	30.5	Very low	32	Very low	105 Å²	105	152.9 Å²	152.9	73%	0.734	80%	0.796	S	S	*	*			cis	79.5	89.4	27.1	-63.9	0	0	0	0	117.1
10	I	31.7	Very low	31.8	Very low	170 Å²	170	155.3 Å²	155.3	87%	0.872	80%	0.8	S	S	*	*			trans	-128.7	118.8	143.9	-63	-178.2	0	0	0	106.7
11	D	29.8	Very low	31.7	Very low	109 Å²	109	159.7 Å²	159.7	58%	0.583	81%	0.807	S	S	*	*			trans	-115.4	131.3	179.3	179.8	8.4	0	0	0	109.3	R13	D11-R13 WeakPolarHBondContact OD1-CG 3.14Å; D11-R13 PolarHBondContact OD1-N 3.31Å; D11-R13 WeakPolarHBondContact OD2-CD 3.41Å; D11-R13 IonicContact OD2-CZ 3.97Å; D11-R13 IonicContact OD2-NE 3.75Å; D11-R13 PolarHBondContact OD2-NE 2.85Å
12	L	31.1	Very low	31.4	Very low	158 Å²	158	153.6 Å²	153.6	83%	0.827	79%	0.786	S	S	*	*			trans	-132.7	57.2	172.3	-93.3	174.6	0	0	0	112	T14	L12-T14 PolarHBondContact O-N 2.95Å
13	R	27.9	Very low	31.2	Very low	200 Å²	200	157.7 Å²	157.7	76%	0.755	79%	0.793	S	S	*	*			trans	-42	121.7	156.5	-75.8	163.3	178.6	-168.2	-2.4	112.1	D11	D11-R13 WeakPolarHBondContact OD1-CG 3.14Å; D11-R13 PolarHBondContact OD1-N 3.31Å; D11-R13 WeakPolarHBondContact OD2-CD 3.41Å; D11-R13 IonicContact OD2-CZ 3.97Å; D11-R13 IonicContact OD2-NE 3.75Å; D11-R13 PolarHBondContact OD2-NE 2.85Å
14	T	32.5	Very low	30.9	Very low	138 Å²	138	161.7 Å²	161.7	85%	0.847	80%	0.799	S	S	*	*			trans	-124.3	116.2	146.9	42.6	0	0	0	0	109.9	L12	L12-T14 PolarHBondContact O-N 2.95Å
15	N	28.8	Very low	30.7	Very low	135 Å²	135	159.3 Å²	159.3	72%	0.722	80%	0.795	S	S	*	*			trans	-72	141.4	173.4	-89.4	-80.5	0	0	0	110.3
16	K	31.2	Very low	30.3	Very low	196 Å²	196	161.1 Å²	161.1	85%	0.852	80%	0.795	S	S	*	*			trans	-153.7	97.2	139.8	-112.7	165.9	-171.2	178.4	0	111.8
17	K	28.4	Very low	30.3	Very low	193 Å²	193	157.8 Å²	157.8	84%	0.839	79%	0.791	S	S	*	*			trans	-74.2	126	158.4	-66.7	177.3	177.1	179.1	0	108.3
18	T	30.3	Very low	30	Very low	128 Å²	128	156.9 Å²	156.9	79%	0.785	79%	0.791	S	S	*	*			trans	-153.6	115.6	160.6	27.8	0	0	0	0	112.7
19	S	30.1	Very low	29.7	Very low	119 Å²	119	156.8 Å²	156.8	83%	0.832	80%	0.8	S	S	*	*			trans	49	127.5	151	-146.1	0	0	0	0	122.7
20	F	27.3	Very low	29.6	Very low	201 Å²	201	159.2 Å²	159.2	88%	0.882	80%	0.804	S	S	*	*			trans	-52.2	145.6	144.3	-93.1	-127	0	0	0	111.7
21	R	29.5	Very low	29.7	Very low	248 Å²	248	156.3 Å²	156.3	94%	0.936	80%	0.796	S	S	*	*				-163.6	160.8	115.5	-123.3	178.7	176.4	175	-2.2	112
22	S	29.8	Very low	29.7	Very low	98 Å²	98	157.3 Å²	157.3	69%	0.685	80%	0.801	S	S	*	*			trans	-81.5	148.4	-177.5	173.4	0	0	0	0	112.1
23	Y	29	Very low	29.7	Very low	224 Å²	224	156.5 Å²	156.5	88%	0.878	80%	0.798	S	S	*	*			trans	-111.2	133.4	151.7	-97.9	-87.4	0	0	0	109.8
24	R	31.1	Very low	29.7	Very low	211 Å²	211	153.2 Å²	153.2	80%	0.796	80%	0.795	S	S	*	*			trans	-151.6	132.4	173.4	-159.2	-176.4	-170.4	179.7	4.9	107.2
25	N	29.3	Very low	29.5	Very low	141 Å²	141	152.7 Å²	152.7	75%	0.754	79%	0.792	S	S	*	*			trans	67.2	113.4	174.5	-56.2	-2.1	0	0	0	118.3
26	L	29.1	Very low	29.7	Very low	156 Å²	156	151.3 Å²	151.3	82%	0.817	79%	0.793	S	S	*	*				-128.5	153.3	128.6	-78.6	94.9	0	0	0	106.4
27	S	30	Very low	29.4	Very low	105 Å²	105	153.1 Å²	153.1	73%	0.734	79%	0.794	S	S	*	*			cis	-150.4	148.8	-22.6	-97.2	0	0	0	0	109.9
28	T	28.2	Very low	29.5	Very low	129 Å²	129	150.5 Å²	150.5	79%	0.791	79%	0.789	S	S	*	*			trans	-60.1	140	174.7	45.7	0	0	0	0	114.4
29	C	28.6	Very low	29.3	Very low	129 Å²	129	150.9 Å²	150.9	87%	0.872	79%	0.785	S	S	*	*			trans	-131.4	118.1	145.4	-78.8	0	0	0	0	109.1
30	L	28.5	Very low	29.4	Very low	156 Å²	156	152 Å²	152	82%	0.817	78%	0.78	S	S	*	*			trans	-121.4	146.5	158.7	-74.8	171.1	0	0	0	106.2
31	P	33.6	Very low	29.4	Very low	109 Å²	109	150.7 Å²	150.7	71%	0.708	78%	0.777	S	S	*	*				-135.1	133.7	102.6	35.5	-23.2	0	0	0	111.1
32	D	28.6	Very low	29.5	Very low	129 Å²	129	145.8 Å²	145.8	69%	0.69	77%	0.769	S	S	*	*				80.7	150.2	86.6	-62.7	-41.4	0	0	0	114.6
33	N	32.6	Very low	29.6	Very low	142 Å²	142	145.9 Å²	145.9	76%	0.759	77%	0.77	S	S	*	*			trans	66.4	148.1	164.7	-62.8	-55	0	0	0	117.2
34	N	28.4	Very low	29.6	Very low	130 Å²	130	141.4 Å²	141.4	70%	0.695	77%	0.766	S	S	*	*			cis	172.1	147.8	-27.1	-118.4	-45.2	0	0	0	105.2
35	T	28.1	Very low	29.5	Very low	128 Å²	128	138.7 Å²	138.7	79%	0.785	77%	0.767	S	S	*	*			trans	71.1	159	166.1	-6.9	0	0	0	0	118.6
36	S	31.5	Very low	29.4	Very low	105 Å²	105	136.6 Å²	136.6	73%	0.734	76%	0.759	S	S	*	*			trans	66	122.5	161.5	-55.9	0	0	0	0	116.8
37	R	26.2	Very low	29.5	Very low	234 Å²	234	136.8 Å²	136.8	88%	0.883	76%	0.761	S	S	*	*			cis	63.6	126.1	16.2	-120.2	-177.4	-167.8	168.6	4.7	114.5
38	N	31.2	Very low	29.3	Very low	138 Å²	138	136.6 Å²	136.6	74%	0.738	76%	0.759	S	S	*	*			trans	80.4	113.2	-174.3	-53.4	-16	0	0	0	112.2
39	I	26.1	Very low	29.5	Very low	137 Å²	137	136.5 Å²	136.5	70%	0.703	76%	0.761	S	S	*	*				94.9	156.3	75.6	-75.8	158.9	0	0	0	110.5
40	I	30.9	Very low	29.5	Very low	142 Å²	142	138.2 Å²	138.2	73%	0.728	76%	0.756	S	S	*	*			trans	82.3	97.4	-151.7	-53	159.8	0	0	0	108.8
41	Q	26.9	Very low	29.7	Very low	174 Å²	174	138.1 Å²	138.1	81%	0.813	76%	0.757	S	S	*	*			cis	65.3	84.3	14.2	-165	-177.3	8.5	0	0	114.6
42	D	32	Very low	29.5	Very low	144 Å²	144	139.2 Å²	139.2	77%	0.77	75%	0.752	S	S	*	*			trans	-129.4	147.4	158.8	-97.9	-49.7	0	0	0	111.5
43	S	32.1	Very low	29.6	Very low	101 Å²	101	140.5 Å²	140.5	71%	0.706	75%	0.752	S	S	*	*			trans	-6.8	116.1	174.6	54.5	0	0	0	0	118
44	V	28.5	Very low	29.6	Very low	129 Å²	129	144 Å²	144	78%	0.782	76%	0.76	S	S	*	*				59	105	62.3	-175.6	0	0	0	0	113.3
45	N	29.6	Very low	29.5	Very low	154 Å²	154	146.5 Å²	146.5	82%	0.824	77%	0.768	S	S	*	*				-145	142.3	114.9	-148.7	-5.4	0	0	0	111.1
46	V	27.2	Very low	29.6	Very low	97 Å²	97	148.5 Å²	148.5	59%	0.588	77%	0.773	S	S	*	*			trans	-114.5	137.6	-179.9	171.5	0	0	0	0	108
47	N	31.3	Very low	29.6	Very low	161 Å²	161	148.8 Å²	148.8	86%	0.861	77%	0.773	S	S	*	*			trans	-138.8	99.8	157	-103.2	-23.2	0	0	0	109.2
48	C	25.8	Very low	29.4	Very low	101 Å²	101	148 Å²	148	68%	0.682	77%	0.771	S	S	*	*			trans	-86.1	127	166.7	-63.5	0	0	0	0	108.4
49	C	32.1	Very low	29.4	Very low	126 Å²	126	147.6 Å²	147.6	85%	0.851	77%	0.773	S	S	*	*			trans	-109.5	130.7	152.2	-69.3	0	0	0	0	107.6
50	H	28.7	Very low	29.4	Very low	166 Å²	166	149.7 Å²	149.7	77%	0.769	78%	0.78	S	S	*	*			trans	-83.4	150.8	166.3	-77.6	-4	0	0	0	109.9
51	D	32	Very low	29.3	Very low	153 Å²	153	151.5 Å²	151.5	82%	0.818	79%	0.788	S	S	*	*				163.5	138.1	128.7	-81.7	-12.8	0	0	0	107.6
52	E	30.4	Very low	29.2	Very low	132 Å²	132	147.6 Å²	147.6	62%	0.617	78%	0.78	S	S	*	*			cis	-174.2	148	-26	-119.2	-139	129.1	0	0	102.6
53	K	30.7	Very low	29	Very low	156 Å²	156	150.4 Å²	150.4	68%	0.678	79%	0.785	S	S	*	*			trans	49.6	101.2	157.6	-63.6	159.8	-177.2	146.2	0	118.3
54	F	31.7	Very low	28.9	Very low	215 Å²	215	151 Å²	151	94%	0.943	79%	0.789	S	S	*	*				-156.4	123.9	103.1	-111.8	-73.9	0	0	0	111.1
55	Q	26.7	Very low	28.8	Very low	184 Å²	184	149.6 Å²	149.6	86%	0.86	79%	0.785	S	S	*	*			trans	-152.8	109.1	-173.3	-177.3	-175.1	28.8	0	0	110.3
56	L	29.7	Very low	28.9	Very low	169 Å²	169	151.4 Å²	151.4	89%	0.885	79%	0.789	S	S	*	*			trans	-145.6	153.5	162.5	-81.2	-176.8	0	0	0	110.7
57	P	31.7	Very low	28.8	Very low	112 Å²	112	151.9 Å²	151.9	73%	0.727	80%	0.796	S	S	*	*			trans	-120.8	178.3	-155.8	42.4	-30.3	0	0	0	116.2
58	Y	22.9	Very low	28.7	Very low	218 Å²	218	152.1 Å²	152.1	86%	0.855	80%	0.796	S	S	*	*			trans	-26.3	129.7	162.4	-104.8	-103.4	0	0	0	116.7
59	V	30.9	Very low	28.7	Very low	129 Å²	129	151.6 Å²	151.6	78%	0.782	80%	0.799	S	S	*	*			trans	-144.7	129.8	146.8	-179.2	0	0	0	0	109.3	M61	V59-M61 HydrophobicContact CG1-CG 4.03Å
60	Q	25.4	Very low	28.6	Very low	180 Å²	180	151.4 Å²	151.4	84%	0.841	80%	0.799	S	S	*	*			trans	-91.1	134.2	160.2	-69.3	-178.3	-85.2	0	0	109.4
61	M	29.1	Very low	28.4	Very low	181 Å²	181	150 Å²	150	89%	0.892	80%	0.802	S	S	*	*			trans	-132.1	151.8	158.5	-73	-157.4	74.2	0	0	110.5	V59	V59-M61 HydrophobicContact CG1-CG 4.03Å
62	S	25.5	Very low	28.5	Very low	92 Å²	92	152.9 Å²	152.9	64%	0.643	81%	0.807	S	S	*	*			trans	-141.8	153.8	-175.2	66.2	0	0	0	0	110.4
63	K	27.2	Very low	28.3	Very low	202 Å²	202	154.1 Å²	154.1	88%	0.878	81%	0.813	S	S	*	*			trans	70.2	157.2	-175.6	-43.7	171.2	-172.4	176.7	0	111.9
64	S	29.3	Very low	28.4	Very low	113 Å²	113	155.7 Å²	155.7	79%	0.79	82%	0.823	S	S	*	*			cis	-136.9	168.2	5.7	51.6	0	0	0	0	112.8
65	S	27.5	Very low	28.3	Very low	100 Å²	100	151.4 Å²	151.4	70%	0.699	81%	0.81	S	S	*	*			trans	-53.6	151.6	167.4	48.9	0	0	0	0	114.2
66	E	30.3	Very low	28.5	Very low	193 Å²	193	150 Å²	150	90%	0.902	81%	0.808	S	S	*	*				-162.8	166.6	111	-110	168.3	-153.7	0	0	112.6
67	S	25.5	Very low	28.6	Very low	107 Å²	107	147 Å²	147	75%	0.748	80%	0.801	S	S	*	*			trans	-126.4	137.7	-168.3	59.7	0	0	0	0	112.8
68	I	30.4	Very low	28.3	Very low	166 Å²	166	151 Å²	151	85%	0.851	80%	0.803	S	S	*	*			trans	-130.3	132.5	151.9	-78.4	97.2	0	0	0	108.2
69	A	25.5	Very low	28.7	Very low	90 Å²	90	148.2 Å²	148.2	74%	0.744	80%	0.801	S	S	*	*			trans	-96.3	153.7	172.8	0	0	0	0	0	110.4
70	S	29.6	Very low	28.5	Very low	122 Å²	122	146.6 Å²	146.6	85%	0.853	79%	0.787	S	S	*	*			trans	-153.5	103.4	160.3	-83	0	0	0	0	110.1
71	T	25.2	Very low	28.8	Very low	136 Å²	136	145.9 Å²	145.9	83%	0.834	79%	0.788	S	S	*	*			trans	-70.7	144.8	172.1	46.8	0	0	0	0	112.1
72	K	33.5	Very low	28.5	Very low	213 Å²	213	145 Å²	145	93%	0.926	78%	0.781	S	S	*	*			trans	-148	140.9	145.6	-112.2	175.7	-177	-173.4	0	110.9
73	Q	26.3	Very low	28.9	Very low	159 Å²	159	147 Å²	147	74%	0.743	79%	0.79	S	S	*	*			trans	-99.4	154.8	176.6	-61.4	162.1	-100.8	0	0	109.6
74	E	33	Very low	28.8	Very low	189 Å²	189	145.2 Å²	145.2	88%	0.883	79%	0.785	S	S	*	*			trans	-178.7	106.8	139.7	-98.7	151	-147.4	0	0	105.7
75	N	28.8	Very low	29.1	Very low	125 Å²	125	150 Å²	150	67%	0.668	79%	0.791	S	S	*	*				75.5	138.3	63	-77.2	-6.9	0	0	0	115.1
76	N	32.1	Very low	29	Very low	155 Å²	155	154 Å²	154	83%	0.829	80%	0.796	S	S	*	*			trans	76.2	142.4	169	-54.5	-23.7	0	0	0	117.2
77	S	31.8	Very low	29.2	Very low	106 Å²	106	150.5 Å²	150.5	74%	0.741	79%	0.793	S	S	*	*			cis	-162.7	128.1	-14.2	48.5	0	0	0	0	113.8
78	Y	25.2	Very low	29.4	Very low	194 Å²	194	152.3 Å²	152.3	76%	0.761	79%	0.794	S	S	*	*			trans	14.7	123.2	132.2	-155.6	-90.6	0	0	0	120.1	M80	Y78-M80 HydrophobicContact CE1-CB 3.96Å; Y78-M80 HydrophobicContact CE1-CG 4.02Å; Y78-M80 HydrophobicContact CE2-CG 4.16Å; Y78-M80 WeakPolarHBondContact OH-CG 3.42Å
79	I	31	Very low	29.5	Very low	160 Å²	160	153.3 Å²	153.3	82%	0.821	80%	0.795	S	S	*	*			trans	-137.8	129.7	134.6	-66	-170.3	0	0	0	108.8
80	M	26.4	Very low	29.7	Very low	95 Å²	95	154.8 Å²	154.8	47%	0.468	80%	0.795	S	S	.	*			trans	-101.9	144.6	168.2	-92	-81.2	-70.7	0	0	109.8	Y78 E82	Y78-M80 HydrophobicContact CE1-CB 3.96Å; Y78-M80 HydrophobicContact CE1-CG 4.02Å; Y78-M80 HydrophobicContact CE2-CG 4.16Å; Y78-M80 WeakPolarHBondContact OH-CG 3.42Å; M80-E82 HydrophobicContact CE-CG 3.96Å; M80-E82 WeakPolarHBondContact CE-OE2 3.44Å
81	L	31.3	Very low	29.8	Very low	165 Å²	165	155.9 Å²	155.9	86%	0.864	80%	0.797	S	S	*	*			trans	-145.8	91.9	156.6	-80.7	-175.2	0	0	0	111.2
82	E	24	Very low	29.8	Very low	163 Å²	163	154.6 Å²	154.6	76%	0.762	79%	0.793	S	S	*	*			trans	-98	137.1	153.2	-68.7	-179.4	116.9	0	0	108.8	M80	M80-E82 HydrophobicContact CE-CG 3.96Å; M80-E82 WeakPolarHBondContact CE-OE2 3.44Å
83	T	33.2	Very low	29.7	Very low	133 Å²	133	150.4 Å²	150.4	82%	0.816	79%	0.786	S	S	*	*			trans	-145.5	115	159.7	52.1	0	0	0	0	110.6
84	E	25.8	Very low	29.8	Very low	165 Å²	165	149 Å²	149	77%	0.771	79%	0.788	S	S	*	*			trans	-66.1	156.3	168.8	-52.6	176.6	99.1	0	0	112
85	K	34.3	Very low	29.7	Very low	215 Å²	215	147.4 Å²	147.4	94%	0.935	78%	0.784	S	S	*	*				-164.8	153.2	119.5	-107.6	157.3	-171.5	171.8	0	114.3
86	K	26.9	Very low	29.5	Very low	184 Å²	184	146.9 Å²	146.9	80%	0.8	79%	0.785	S	S	*	*			trans	-94.9	148.4	-176.6	-58	163.2	-178.8	166.5	0	111.6
87	S	33.1	Very low	29.5	Very low	119 Å²	119	145.7 Å²	145.7	83%	0.832	78%	0.784	S	S	*	*			trans	-159.1	148.5	138.7	51.7	0	0	0	0	110.4
88	N	29.4	Very low	29.2	Very low	145 Å²	145	146.8 Å²	146.8	78%	0.775	79%	0.786	S	S	*	*			trans	-93.8	158.5	-175.1	-46.2	-42.7	0	0	0	111.6
89	E	33.4	Very low	29.6	Very low	186 Å²	186	145.1 Å²	145.1	87%	0.869	79%	0.789	S	S	*	*				164.1	119.3	122.7	-87.9	169.6	-173.1	0	0	108.5
90	T	28.4	Very low	29.7	Very low	121 Å²	121	143.3 Å²	143.3	74%	0.742	78%	0.781	S	S	*	*				73.9	85.2	59.3	-51.8	0	0	0	0	113.6
91	T	32.5	Very low	29.9	Very low	146 Å²	146	144.7 Å²	144.7	90%	0.896	79%	0.79	S	S	*	*				-164.4	134.3	129.5	8.4	0	0	0	0	112.6
92	S	25.5	Very low	30	Very low	108 Å²	108	142.7 Å²	142.7	76%	0.755	78%	0.781	S	S	*	*			trans	-85.8	161.3	165.2	-44.3	0	0	0	0	110.2
93	T	32.1	Very low	30.3	Very low	126 Å²	126	141.9 Å²	141.9	77%	0.773	78%	0.782	S	S	*	*			trans	-164.2	128.3	131.8	-78.5	0	0	0	0	110.4	I95	T93-I95 HydrophobicContact CG2-CD1 4.29Å; T93-I95 HydrophobicContact CG2-CG1 3.94Å
94	T	27.6	Very low	30.5	Very low	128 Å²	128	141.1 Å²	141.1	79%	0.785	78%	0.781	S	S	*	*			trans	-95.9	128.8	171.3	-55.6	0	0	0	0	109.4
95	I	31.8	Very low	30.7	Very low	157 Å²	157	140.6 Å²	140.6	81%	0.805	78%	0.784	S	S	*	*			trans	-134.4	104.2	162	-58.8	-178.3	0	0	0	110	T93	T93-I95 HydrophobicContact CG2-CD1 4.29Å; T93-I95 HydrophobicContact CG2-CG1 3.94Å
96	T	24.7	Very low	31	Very low	113 Å²	113	135.3 Å²	135.3	69%	0.693	77%	0.771	S	S	*	*			trans	-86.4	148.2	154.5	-39.7	0	0	0	0	108
97	T	30.7	Very low	31.5	Very low	130 Å²	130	131.9 Å²	131.9	80%	0.798	77%	0.771	S	S	*	*			trans	173.2	138.2	135.2	-75.1	0	0	0	0	111.2
98	T	25.3	Very low	31.6	Very low	129 Å²	129	131 Å²	131	79%	0.791	77%	0.765	S	S	*	*			trans	-87.5	140.1	177.7	-28.5	0	0	0	0	111.9
99	I	34.8	Very low	31.7	Very low	160 Å²	160	131.6 Å²	131.6	82%	0.821	77%	0.766	S	S	*	*			trans	-168.4	151.6	151.5	-96.7	141.3	0	0	0	107.4
100	N	32.2	Very low	31.8	Very low	121 Å²	121	130.5 Å²	130.5	65%	0.647	77%	0.765	S	S	*	*			cis	171	124.2	-37.9	-171.7	19.4	0	0	0	105.2
101	N	30.6	Very low	32	Very low	125 Å²	125	127.8 Å²	127.8	67%	0.668	76%	0.761	S	S	*	*			trans	71.7	131.6	154.8	-80	-9.3	0	0	0	125.2
102	N	33.8	Very low	32	Very low	123 Å²	123	127.2 Å²	127.2	66%	0.658	76%	0.756	S	S	*	*			trans	92	116	135.1	-64.8	-9.1	0	0	0	123.2
103	N	31.4	Very low	32.6	Very low	146 Å²	146	126.6 Å²	126.6	78%	0.781	75%	0.75	S	S	*	*			trans	70.5	144.4	139.3	-59.8	-16.4	0	0	0	119.2
104	S	35.5	Very low	32.5	Very low	116 Å²	116	127.3 Å²	127.3	81%	0.811	75%	0.749	S	S	*	*			cis	-159.8	157	-3.2	34.4	0	0	0	0	114.2
105	N	31.8	Very low	32.9	Very low	155 Å²	155	128.6 Å²	128.6	83%	0.829	75%	0.75	S	S	*	*			trans	-48.9	179.6	168.7	-108.3	-14.2	0	0	0	117.1
106	P	40.5	Very low	32.9	Very low	103 Å²	103	129.8 Å²	129.8	67%	0.669	75%	0.749	S	S	*	*			cis	-140.7	-165	-18	38	-17.9	0	0	0	114.9
107	S	35.8	Very low	33.2	Very low	113 Å²	113	135.2 Å²	135.2	79%	0.79	76%	0.757	S	S	*	*			trans	113.8	139.9	157	-51.5	0	0	0	0	115.4
108	S	36	Very low	33.3	Very low	100 Å²	100	136.2 Å²	136.2	70%	0.699	76%	0.757	S	S	*	*			cis	-159.1	138.7	-2.2	48.3	0	0	0	0	114.3
109	I	31.8	Very low	33.4	Very low	158 Å²	158	137.8 Å²	137.8	81%	0.81	76%	0.759	S	S	*	*			trans	33.4	127	130.5	-32.3	175	0	0	0	117.9
110	I	34.7	Very low	33.1	Very low	163 Å²	163	137.2 Å²	137.2	84%	0.836	76%	0.757	S	S	*	*				-168	153.8	81	-73	158.1	0	0	0	109.5
111	G	33.9	Very low	32.8	Very low	64 Å²	64	141.1 Å²	141.1	66%	0.66	76%	0.763	S	S	*	*			trans	-162.8	-83.6	-178.3	0	0	0	0	0	117.8
112	V	31.8	Very low	32.8	Very low	133 Å²	133	144.6 Å²	144.6	81%	0.806	77%	0.766	S	S	*	*			trans	71.8	160.5	170.6	-123	0	0	0	0	116.5
113	P	37.9	Very low	32.4	Very low	95 Å²	95	146.9 Å²	146.9	62%	0.617	77%	0.773	S	S	*	*				-137.7	-177.4	-82.8	47	-33.8	0	0	0	119
114	N	29.5	Very low	32.1	Very low	141 Å²	141	148.5 Å²	148.5	75%	0.754	78%	0.776	S	S	*	*			trans	75.1	157.1	153.8	-62.7	-37.3	0	0	0	118.5
115	I	35.6	Very low	31.7	Very low	156 Å²	156	148.3 Å²	148.3	80%	0.8	77%	0.773	S	S	*	*			cis	-133.5	131.5	17.4	-62.9	167.1	0	0	0	114
116	K	32.3	Very low	31.3	Very low	181 Å²	181	146.9 Å²	146.9	79%	0.787	77%	0.771	S	S	*	*			trans	4.3	136.6	153.5	-57.6	173.6	178.7	176.6	0	121.8
117	R	31.6	Very low	30.5	Very low	227 Å²	227	148.3 Å²	148.3	86%	0.857	78%	0.777	S	S	*	*				-159.6	134.2	101.9	-107.2	-178	-168.6	90.7	-7	115.1
118	N	33.3	Very low	30	Very low	152 Å²	152	152.1 Å²	152.1	81%	0.813	78%	0.782	S	S	*	*			trans	59.2	132.9	159.6	-63.2	4.9	0	0	0	122.1
119	I	27.5	Very low	29.4	Very low	161 Å²	161	154.5 Å²	154.5	83%	0.826	78%	0.783	S	S	*	*			trans	-152.1	158.3	-175.6	-59.8	175.8	0	0	0	106.9
120	L	27.2	Very low	29.1	Very low	149 Å²	149	156.8 Å²	156.8	78%	0.78	79%	0.787	S	S	*	*			trans	104	143.3	148.2	-146.9	73.7	0	0	0	119.3
121	R	26.7	Very low	28.6	Very low	203 Å²	203	156.5 Å²	156.5	77%	0.766	78%	0.78	S	S	*	*			trans	84.6	132.8	171.7	-57	-174.6	176.7	-177.2	0.1	115.6
122	R	30	Very low	28.4	Very low	197 Å²	197	161.5 Å²	161.5	74%	0.743	79%	0.789	S	S	*	*			cis	-157	148.5	-9.9	-126.8	177.3	-172.3	179.1	-1.4	110.9
123	Q	25.9	Very low	28.1	Very low	171 Å²	171	158.5 Å²	158.5	80%	0.799	77%	0.774	S	S	*	*	S	Bend	trans	-90.6	155.7	153	-70.4	-179.9	-10.5	0	0	109.2
124	Q	25.9	Very low	27.5	Very low	180 Å²	180	162 Å²	162	84%	0.841	78%	0.782	S	S	*	*			trans	53.8	113.5	163.2	-65.1	176.3	-10.5	0	0	118.5
125	C	25.3	Very low	27.4	Very low	112 Å²	112	160.6 Å²	160.6	76%	0.757	78%	0.775	S	S	*	*			trans	-163.2	127.5	141	-119.4	0	0	0	0	111.7
126	T	23.8	Very low	27.3	Very low	126 Å²	126	162 Å²	162	77%	0.773	78%	0.782	S	S	*	*			trans	10.4	134.1	150.4	50.9	0	0	0	0	122.1
127	V	23.8	Very low	27	Very low	133 Å²	133	158.3 Å²	158.3	81%	0.806	78%	0.775	S	S	*	*			trans	-26.1	128.6	150.9	179.3	0	0	0	0	115.3
128	E	25.1	Very low	26.7	Very low	193 Å²	193	152.4 Å²	152.4	90%	0.902	77%	0.768	S	S	*	*			trans	-141.2	162	138.9	-79.7	-151.1	129.7	0	0	109.5
129	Q	24.4	Very low	26.4	Very low	150 Å²	150	152.8 Å²	152.8	70%	0.701	77%	0.765	S	S	*	*			trans	-95	138.2	-174.3	-59.9	-178.2	19.3	0	0	111.9
130	F	25.2	Very low	26.4	Very low	205 Å²	205	156 Å²	156	90%	0.899	77%	0.769	S	S	*	*			trans	-123.4	90.4	147.4	-97.4	-85.3	0	0	0	109.9
131	K	25.1	Very low	26.3	Very low	158 Å²	158	155.5 Å²	155.5	69%	0.687	77%	0.771	S	S	*	*			trans	-71.6	117	148.7	-72.2	-179.5	177	-178.5	0	106.7
132	I	29.7	Very low	26.3	Very low	168 Å²	168	150.8 Å²	150.8	86%	0.862	77%	0.77	S	S	*	*			trans	-88.3	101.9	146.4	-65.7	-179.5	0	0	0	104.7
133	S	25.1	Very low	26.2	Very low	70 Å²	70	147.3 Å²	147.3	49%	0.49	77%	0.771	S	S	.	*			trans	-101.1	141.7	-174.3	46.5	0	0	0	0	111.5
134	E	25.6	Very low	26.5	Very low	168 Å²	168	146.9 Å²	146.9	79%	0.785	77%	0.774	S	S	*	*			trans	76.4	152.4	150.3	-67.4	162.1	-153.7	0	0	119.9
135	N	26.7	Very low	26.5	Very low	112 Å²	112	145.3 Å²	145.3	60%	0.599	77%	0.771	S	S	*	*			trans	62.8	81	158.4	-62.6	-40.3	0	0	0	119.6	T137	N135-T137 WeakPolarHBondContact OD1-CB 3.22Å; N135-T137 PolarHBondContact OD1-OG1 2.93Å
136	I	32.9	Very low	26.7	Very low	185 Å²	185	147.2 Å²	147.2	95%	0.949	77%	0.773	S	S	*	*				-107.4	96.9	109.3	-60.1	-178.2	0	0	0	107.4
137	T	26.3	Very low	27.1	Very low	104 Å²	104	149.7 Å²	149.7	64%	0.638	77%	0.773	S	S	*	*			trans	-115.3	144.6	178.8	-63.2	0	0	0	0	109.2	N135	N135-T137 WeakPolarHBondContact OD1-CB 3.22Å; N135-T137 PolarHBondContact OD1-OG1 2.93Å
138	S	26	Very low	27.4	Very low	103 Å²	103	151.9 Å²	151.9	72%	0.72	78%	0.777	S	S	*	*			trans	103.7	150.1	166.2	-154.6	0	0	0	0	117
139	Q	25.9	Very low	27.6	Very low	161 Å²	161	145.6 Å²	145.6	75%	0.752	76%	0.763	S	S	*	*			trans	56.1	91.6	175.8	-47.8	-169.5	16.1	0	0	114.8
140	Y	28.4	Very low	28	Very low	227 Å²	227	147.7 Å²	147.7	89%	0.89	77%	0.77	S	S	*	*				-153.8	86.4	83.1	-99.6	-78.3	0	0	0	112.8
141	V	25.3	Very low	28	Very low	139 Å²	139	143.7 Å²	143.7	84%	0.842	76%	0.763	S	S	*	*			trans	-135.5	94.7	163.9	178.7	0	0	0	0	109
142	S	25.6	Very low	28.4	Very low	105 Å²	105	145.3 Å²	145.3	73%	0.734	77%	0.77	S	S	*	*			trans	-178.4	160.2	154.3	-89.6	0	0	0	0	112.7
143	T	27.4	Very low	28.4	Very low	123 Å²	123	144.8 Å²	144.8	76%	0.755	76%	0.764	S	S	*	*			trans	50.2	100.2	162	52.9	0	0	0	0	118.5
144	N	32.8	Very low	28.7	Very low	163 Å²	163	146.7 Å²	146.7	87%	0.872	77%	0.773	S	S	*	*				-161.6	93.9	104	-92.5	-27.2	0	0	0	111.8
145	N	26.6	Very low	29.1	Very low	147 Å²	147	145.7 Å²	145.7	79%	0.786	77%	0.768	S	S	*	*			trans	-87.8	-178.5	154.8	-91.9	-66.5	0	0	0	109
146	L	28.9	Very low	29.5	Very low	152 Å²	152	148.9 Å²	148.9	80%	0.796	78%	0.779	S	S	*	*			trans	76.2	136.5	-170.9	-54.4	121.9	0	0	0	111.9
147	K	31.8	Very low	29.7	Very low	178 Å²	178	144 Å²	144	77%	0.774	77%	0.767	S	S	*	*			cis	-154.9	149.3	12	-123.1	156.3	-178.3	175.5	0	111.1
148	M	31.3	Very low	30.2	Very low	179 Å²	179	147.6 Å²	147.6	88%	0.882	77%	0.773	S	S	*	*			trans	31.4	138.2	139.9	-52.2	-78	-92	0	0	120.1
149	G	28.4	Very low	30.7	Very low	60 Å²	60	148 Å²	148	62%	0.619	77%	0.768	S	S	*	*			cis	134.1	156.2	7.9	0	0	0	0	0	112.3
150	K	33	Very low	31.4	Very low	194 Å²	194	146.9 Å²	146.9	84%	0.843	76%	0.762	S	S	*	*			trans	79	130.3	-171.7	-49.1	167.2	-176.1	178.1	0	113.5
151	T	25.9	Very low	31.9	Very low	122 Å²	122	144.3 Å²	144.3	75%	0.748	76%	0.758	S	S	*	*			cis	89.1	100.2	1.5	-32.5	0	0	0	0	118.6
152	F	32	Very low	32.5	Very low	192 Å²	192	141.3 Å²	141.3	84%	0.842	75%	0.748	S	S	*	*			trans	-164.4	134.6	148.5	-88.5	-80.5	0	0	0	105.1
153	Q	29.7	Very low	33.1	Very low	157 Å²	157	141.9 Å²	141.9	73%	0.734	75%	0.752	S	S	*	*				68.1	131.5	53.1	-65.7	-167.9	8.4	0	0	113.8
154	T	31.2	Very low	33.5	Very low	110 Å²	110	141 Å²	141	68%	0.675	75%	0.752	S	S	*	*			cis	-147.9	-153.7	-3.5	19.7	0	0	0	0	109.6
155	E	34.7	Very low	33.7	Very low	146 Å²	146	139 Å²	139	68%	0.682	75%	0.75	S	S	*	*			cis	-156	-87.7	10	-156.1	134.8	-64.9	0	0	117.4
156	H	34.8	Very low	33.9	Very low	179 Å²	179	137.4 Å²	137.4	83%	0.829	75%	0.75	S	S	*	*			trans	-146.9	175	-161.9	-66.2	-30.6	0	0	0	111.9
157	A	38.4	Very low	34.5	Very low	83 Å²	83	136.2 Å²	136.2	69%	0.686	75%	0.752	S	S	*	*			cis	-154.6	146.4	8.1	0	0	0	0	0	109.4
158	K	35.4	Very low	34.8	Very low	179 Å²	179	134.3 Å²	134.3	78%	0.778	76%	0.755	S	S	*	*				102.9	145.3	87.1	-104.7	-172.9	159	-156.3	0	116.2
159	D	37.3	Very low	35.3	Very low	112 Å²	112	131 Å²	131	60%	0.599	75%	0.747	S	S	*	*			trans	64.7	152.1	155.1	-58.7	-40.2	0	0	0	119.7
160	Q	40.4	Very low	35.6	Very low	137 Å²	137	135.3 Å²	135.3	64%	0.64	75%	0.754	S	S	*	*			cis	-165.8	146.6	-23	-112.6	174.6	69.6	0	0	111.4
161	Q	39.7	Very low	35.6	Very low	173 Å²	173	134.3 Å²	134.3	81%	0.808	75%	0.753	S	S	*	*			trans	56.2	164.5	148.7	-63.7	178.7	13.9	0	0	121
162	A	37.9	Very low	36.1	Very low	77 Å²	77	137.1 Å²	137.1	64%	0.636	76%	0.757	S	S	*	*			cis	-170.6	157.5	-35.1	0	0	0	0	0	111.2
163	S	36.5	Very low	36	Very low	117 Å²	117	134 Å²	134	82%	0.818	75%	0.754	S	S	*	*			trans	60.7	161.1	157.4	51.2	0	0	0	0	120.8
164	S	36.5	Very low	36.4	Very low	105 Å²	105	132.5 Å²	132.5	73%	0.734	76%	0.755	S	S	*	*			cis	-173.3	-178.2	-28	63.2	0	0	0	0	111.2
165	S	36.6	Very low	36.6	Very low	119 Å²	119	133.6 Å²	133.6	83%	0.832	76%	0.757	S	S	*	*			trans	93.3	156.8	157.7	80.6	0	0	0	0	121.1
166	S	31.9	Very low	36.6	Very low	114 Å²	114	133.6 Å²	133.6	80%	0.797	76%	0.762	S	S	*	*			trans	-136.2	169.9	-169	-29.8	0	0	0	0	111
167	P	41.9	Very low	36.5	Very low	127 Å²	127	131.6 Å²	131.6	83%	0.825	76%	0.762	S	S	*	*				-153.4	-179.4	124.7	37.4	-18.3	0	0	0	117.7
168	T	38.1	Very low	36.3	Very low	138 Å²	138	132.6 Å²	132.6	85%	0.847	77%	0.77	S	S	*	*			trans	-145.5	-174.4	178.1	35	0	0	0	0	108.4
169	P	41.1	Very low	36.1	Very low	109 Å²	109	130.8 Å²	130.8	71%	0.708	78%	0.775	S	S	*	*			cis	-142.9	-134.8	17.6	38.3	-11.2	0	0	0	114.7
170	I	35.4	Very low	35.9	Very low	151 Å²	151	132.2 Å²	132.2	77%	0.774	79%	0.787	S	S	*	*			trans	85.5	145.2	165.8	-59.5	164.1	0	0	0	116.9
171	Q	33	Very low	35.5	Very low	174 Å²	174	131.8 Å²	131.8	81%	0.813	79%	0.794	S	S	*	*			cis	175	139.4	-42	-118.8	-174.4	3.2	0	0	110
172	Q	35.3	Very low	35.3	Very low	181 Å²	181	131.3 Å²	131.3	85%	0.846	80%	0.797	S	S	*	*			trans	170.8	115.9	154.4	-97.5	165.6	12.6	0	0	108.6
173	T	30.7	Very low	34.9	Very low	125 Å²	125	133.3 Å²	133.3	77%	0.767	81%	0.807	S	S	*	*				55.2	134.9	90.6	63	0	0	0	0	114.6
174	V	38	Very low	34.8	Very low	127 Å²	127	131.2 Å²	131.2	77%	0.77	80%	0.803	S	S	*	*			cis	-143	176.7	44.8	-175.9	0	0	0	0	112.6
175	N	34.2	Very low	34.6	Very low	133 Å²	133	135.9 Å²	135.9	71%	0.711	81%	0.813	S	S	*	*			trans	-74.7	-171.6	-176	-43.4	-18.3	0	0	0	113.7
176	D	36.3	Very low	34.5	Very low	146 Å²	146	138 Å²	138	78%	0.781	81%	0.814	S	S	*	*			cis	-151	171.7	28.7	-95.5	-51.9	0	0	0	115
177	T	32	Very low	34.5	Very low	137 Å²	137	138.9 Å²	138.9	84%	0.84	82%	0.821	S	S	*	*			trans	-104.9	143.2	-173.9	54.8	0	0	0	0	115.2
178	A	34.4	Very low	34.1	Very low	103 Å²	103	143.1 Å²	143.1	85%	0.851	82%	0.82	S	S	*	*			trans	-155.3	135.8	154.4	0	0	0	0	0	112.5
179	T	31.8	Very low	33.8	Very low	142 Å²	142	141.7 Å²	141.7	87%	0.871	82%	0.816	S	S	*	*			trans	-119.3	125.1	175.3	50.4	0	0	0	0	111.4
180	V	33.1	Very low	33.4	Very low	142 Å²	142	140.6 Å²	140.6	86%	0.861	82%	0.824	S	S	*	*			trans	-139.1	134	163.4	-178.4	0	0	0	0	109.3
181	T	31.9	Very low	33.5	Very low	128 Å²	128	141 Å²	141	79%	0.785	82%	0.821	S	S	*	*			trans	-80.3	143	176.2	49.7	0	0	0	0	111.9
182	N	33.9	Very low	33.7	Very low	162 Å²	162	140.9 Å²	140.9	87%	0.866	83%	0.825	S	S	*	*			trans	-150.4	136.1	151.4	-112.1	-35.6	0	0	0	111.9
183	S	31	Very low	34.1	Very low	120 Å²	120	138.3 Å²	138.3	84%	0.839	81%	0.807	S	S	*	*			trans	-86.1	126.2	176.5	51.1	0	0	0	0	110.7
184	G	34.6	Very low	34.2	Very low	72 Å²	72	139.5 Å²	139.5	74%	0.742	80%	0.804	S	S	*	*			trans	-151	126.4	173.5	0	0	0	0	0	111
185	Q	31.9	Very low	33.9	Very low	204 Å²	204	138.5 Å²	138.5	95%	0.953	80%	0.8	S	S	*	*			trans	-74.9	129.1	176.7	-65.9	169	-59.6	0	0	109.8
186	L	33.6	Very low	34	Very low	163 Å²	163	137 Å²	137	85%	0.853	79%	0.791	S	S	*	*			trans	-137.2	111.4	171.1	-88.8	169.1	0	0	0	109.9	R188	L186-R188 PolarHBondContact O-N 2.78Å
187	S	32.2	Very low	34.2	Very low	133 Å²	133	138 Å²	138	93%	0.93	78%	0.784	S	S	*	*			trans	-61.3	124.1	173	-55.1	0	0	0	0	110.2
188	R	34	Very low	34.5	Very low	216 Å²	216	140.8 Å²	140.8	82%	0.815	79%	0.785	S	S	*	*			trans	-147.2	91.9	-171.6	-168.8	-176.7	-174	-165.7	2.3	113.1	L186	L186-R188 PolarHBondContact O-N 2.78Å
189	S	32.5	Very low	34.4	Very low	108 Å²	108	139.4 Å²	139.4	76%	0.755	77%	0.774	S	S	*	*			trans	-148.3	36.9	167.4	57.9	0	0	0	0	114.3	F191	S189-F191 VanDerWaalsContact C-N 3.3Å; S189-F191 PolarHBondContact O-N 3.45Å; S189-F191 VanDerWaalsContact O-N 3.11Å
190	G	31	Very low	34.5	Very low	86 Å²	86	140.1 Å²	140.1	89%	0.887	77%	0.769	S	S	*	*			trans	-73.9	87.8	153.2	0	0	0	0	0	109
191	F	37.7	Very low	34.7	Very low	158 Å²	158	139.5 Å²	139.5	69%	0.693	77%	0.766	S	S	*	*			trans	-116.7	105	177.8	-88.4	-74.7	0	0	0	110.8	S189 R193	S189-F191 VanDerWaalsContact C-N 3.3Å; S189-F191 PolarHBondContact O-N 3.45Å; S189-F191 VanDerWaalsContact O-N 3.11Å; F191-R193 PolarHBondContact O-N 3.42Å
192	L	37	Very low	34.5	Very low	173 Å²	173	143.3 Å²	143.3	91%	0.906	77%	0.767	S	S	*	*			trans	-54.1	120.4	161.5	-72.7	158.3	0	0	0	108.6	H194	L192-H194 PolarHBondContact O-N 3.37Å
193	R	43.6	Very low	34.5	Very low	126 Å²	126	142.1 Å²	142.1	48%	0.475	77%	0.765	S	S	.	*			trans	-75.1	108.7	178.9	-74	-174.9	174.2	-174.7	0.6	109.5	F191 E426 N466	F191-R193 PolarHBondContact O-N 3.42Å; R193-E426 IonicContact CZ-OE1 3.94Å; R193-E426 IonicContact NH1-OE1 2.86Å; R193-E426 PolarHBondContact NH1-OE1 3.06Å; R193-N466 PolarHBondContact NH2-OD1 3.11Å
194	H	32.8	Very low	34.6	Very low	151 Å²	151	144.7 Å²	144.7	70%	0.699	76%	0.761	S	S	*	*			trans	-63.1	139.9	169.3	-129.3	-78.8	0	0	0	109.6	L192 L196	L192-H194 PolarHBondContact O-N 3.37Å; H194-L196 PolarHBondContact O-N 2.88Å
195	P	33.7	Very low	34.6	Very low	105 Å²	105	147 Å²	147	68%	0.682	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	31.4	-175.6	28.6	-37	0	0	0	115.4
196	L	34.9	Very low	34.7	Very low	102 Å²	102	145.6 Å²	145.6	53%	0.534	76%	0.757	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.3	-4.2	-176	-70.9	171.6	0	0	0	114.5	H194 K198 A199	H194-L196 PolarHBondContact O-N 2.88Å; L196-K198 VanDerWaalsContact C-N 3.3Å; L196-K198 PolarHBondContact O-N 2.94Å; L196-A199 WeakPolarHBondContact O-CB 3.38Å; L196-A199 PolarHBondContact O-N 3.05Å
197	R	41.2	Very low	34.5	Very low	168 Å²	168	143.5 Å²	143.5	63%	0.634	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	-19.2	-166.3	-137.2	179	-170.3	-157	-2	115.1
198	K	37.6	Very low	34.6	Very low	194 Å²	194	145.9 Å²	145.9	84%	0.843	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	-6.5	170.5	-94.1	178.9	174.6	172.7	0	114.5	L196	L196-K198 VanDerWaalsContact C-N 3.3Å; L196-K198 PolarHBondContact O-N 2.94Å
199	A	33.6	Very low	34.6	Very low	75 Å²	75	140.7 Å²	140.7	62%	0.62	75%	0.749	S	S	*	*	S	Bend	trans	-99.9	0.3	-166.8	0	0	0	0	0	116.1	L196	L196-A199 WeakPolarHBondContact O-CB 3.38Å; L196-A199 PolarHBondContact O-N 3.05Å
200	M	32.7	Very low	34.4	Very low	157 Å²	157	145.8 Å²	145.8	77%	0.773	76%	0.758	S	S	*	*			trans	-115.2	4.5	-168.3	-62.5	-157.7	79.4	0	0	116.5	Y202	M200-Y202 PolarHBondContact O-N 2.88Å
201	T	36.6	Very low	34.6	Very low	129 Å²	129	147.8 Å²	147.8	79%	0.791	75%	0.753	S	S	*	*			trans	-98.5	54	-179	48	0	0	0	0	113.5
202	Y	28.6	Very low	34.2	Very low	208 Å²	208	145.9 Å²	145.9	82%	0.816	76%	0.759	S	S	*	*			trans	-134.2	47	174.4	-132.8	-81.3	0	0	0	113.6	M200 K204	M200-Y202 PolarHBondContact O-N 2.88Å; Y202-K204 PolarHBondContact O-N 3.07Å
203	V	34.1	Very low	34	Very low	136 Å²	136	144 Å²	144	82%	0.824	75%	0.754	S	S	*	*			trans	-84	98.6	173.6	-177.6	0	0	0	0	109.9
204	K	32	Very low	33.5	Very low	174 Å²	174	147.6 Å²	147.6	76%	0.757	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-64.2	125.4	175.7	-172.1	175.9	-174.3	174.4	0	110.3	Y202 Q206	Y202-K204 PolarHBondContact O-N 3.07Å; K204-Q206 PolarHBondContact O-N 3.34Å
205	P	35.6	Very low	33.4	Very low	121 Å²	121	146.1 Å²	146.1	79%	0.786	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-67	117.2	177	27	-33.2	0	0	0	109.7
206	Q	33.3	Very low	33.4	Very low	174 Å²	174	146 Å²	146	81%	0.813	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-79.6	130.9	171.6	-68.6	-143.1	33.4	0	0	110.2	K204	K204-Q206 PolarHBondContact O-N 3.34Å
207	S	30.6	Very low	33.1	Very low	120 Å²	120	147 Å²	147	84%	0.839	80%	0.803	S	S	*	*			trans	-87.9	107.7	173.7	54.7	0	0	0	0	110
208	E	34.1	Very low	32.9	Very low	182 Å²	182	151 Å²	151	85%	0.85	82%	0.818	S	S	*	*			trans	-112.2	160.9	166.7	-67.7	-157.4	145.6	0	0	111.7
209	S	34.1	Very low	32.4	Very low	107 Å²	107	151.5 Å²	151.5	75%	0.748	82%	0.815	S	S	*	*			trans	-100.6	153.4	-149.4	51.9	0	0	0	0	115.5	V211	S209-V211 PolarHBondContact O-N 3.35Å
210	F	28.8	Very low	32.6	Very low	215 Å²	215	156.3 Å²	156.3	94%	0.943	83%	0.829	S	S	*	*			trans	-56.7	126.8	167.1	-85.6	-101.7	0	0	0	111.8
211	V	35.1	Very low	32.7	Very low	128 Å²	128	154.8 Å²	154.8	78%	0.776	82%	0.82	S	S	*	*			trans	-134	136	156.8	-177.9	0	0	0	0	108.4	S209 V213	S209-V211 PolarHBondContact O-N 3.35Å; V211-V213 HydrophobicContact CG1-CG2 4.38Å
212	S	27.7	Very low	32.6	Very low	119 Å²	119	157.9 Å²	157.9	83%	0.832	83%	0.825	S	S	*	*			trans	-119	126	-178.6	177	0	0	0	0	110.6
213	V	34	Very low	32.7	Very low	133 Å²	133	153.6 Å²	153.6	81%	0.806	82%	0.821	S	S	*	*			trans	-137.8	149.2	173.7	-173.4	0	0	0	0	109.6	V211	V211-V213 HydrophobicContact CG1-CG2 4.38Å
214	K	33.3	Very low	32.9	Very low	201 Å²	201	152.5 Å²	152.5	87%	0.874	82%	0.82	S	S	*	*			trans	-85.7	165.6	-165.9	-65.7	175.4	179.7	174.7	0	114.3
215	S	30	Very low	33	Very low	121 Å²	121	150.5 Å²	150.5	85%	0.846	82%	0.822	S	S	*	*			trans	-71.1	152.9	178.5	46.3	0	0	0	0	114.9
216	A	33.9	Very low	32.8	Very low	103 Å²	103	152.1 Å²	152.1	85%	0.851	82%	0.822	S	S	*	*			trans	-152.3	124.2	160.5	0	0	0	0	0	110.7
217	S	29.2	Very low	33.1	Very low	121 Å²	121	152.9 Å²	152.9	85%	0.846	83%	0.826	S	S	*	*			trans	-86.1	144.2	179.3	-54.3	0	0	0	0	112.2
218	R	35.3	Very low	33.5	Very low	252 Å²	252	156.6 Å²	156.6	95%	0.951	83%	0.827	S	S	*	*			trans	-136	146	152.4	-72.4	-164.1	175.6	-162.1	-1.3	110.8
219	R	29	Very low	34.1	Very low	205 Å²	205	153.3 Å²	153.3	77%	0.774	82%	0.822	S	S	*	*			trans	-129.4	137.9	-176.4	-166.6	-164.4	-145	-158.5	15.7	107.1	H221	R219-H221 PolarHBondContact NH1-NE2 3.03Å
220	L	36	Very low	34.5	Very low	176 Å²	176	155.8 Å²	155.8	92%	0.921	83%	0.826	S	S	*	*			trans	-129.8	142.9	170.4	-73	174.5	0	0	0	109.5
221	H	34.8	Very low	34.8	Very low	126 Å²	126	152.9 Å²	152.9	58%	0.583	82%	0.821	S	S	*	*			trans	-107.9	149.8	175.2	-74.1	-115.3	0	0	0	108.8	R219	R219-H221 PolarHBondContact NH1-NE2 3.03Å
222	H	36.1	Very low	35	Very low	193 Å²	193	151.9 Å²	151.9	89%	0.894	82%	0.82	S	S	*	*			trans	-148.6	168.2	144.1	-94.8	-66.2	0	0	0	109.4
223	T	30.7	Very low	35.6	Very low	119 Å²	119	155 Å²	155	73%	0.73	82%	0.818	S	S	*	*			trans	-142.8	-178.4	-155.9	49.9	0	0	0	0	112.2
224	S	36.7	Very low	35.7	Very low	113 Å²	113	157.5 Å²	157.5	79%	0.79	82%	0.818	S	S	*	*			trans	81.9	150.4	-179	90.2	0	0	0	0	115.4
225	T	34.2	Very low	35.9	Very low	131 Å²	131	158.2 Å²	158.2	80%	0.804	82%	0.815	S	S	*	*			cis	-138.7	-176.2	4.8	-31.9	0	0	0	0	111.5
226	I	32.7	Very low	36.2	Very low	155 Å²	155	156.6 Å²	156.6	80%	0.795	80%	0.804	S	S	*	*			trans	-109.6	147	-168.1	-64.8	157	0	0	0	110.8
227	E	39.2	Very low	36.4	Very low	191 Å²	191	156.8 Å²	156.8	89%	0.893	80%	0.8	S	S	*	*			trans	-161.7	152.3	142.9	-117.4	166.6	-141.8	0	0	113.1
228	K	37.7	Very low	36.8	Very low	197 Å²	197	155.5 Å²	155.5	86%	0.857	79%	0.791	S	S	*	*			trans	-167	136.8	-179.5	-106.7	-162.6	178	-167	0	112
229	P	47.2	Very low	37	Very low	114 Å²	114	153 Å²	153	74%	0.74	79%	0.787	S	S	*	*			trans	-140	172.7	138.7	37.3	-23.2	0	0	0	111.5
230	D	42.1	Very low	37.4	Very low	159 Å²	159	148.6 Å²	148.6	85%	0.85	79%	0.787	S	S	*	*			cis	-155.8	171.8	-25.1	-107.4	-34.8	0	0	0	109.3
231	D	35.8	Very low	37.5	Very low	153 Å²	153	144.7 Å²	144.7	82%	0.818	78%	0.775	S	S	*	*			trans	-80	150.1	-175.2	-82	-50	0	0	0	115.8
232	S	40.3	Very low	37.6	Very low	108 Å²	108	143.1 Å²	143.1	76%	0.755	78%	0.777	S	S	*	*				171.3	132.8	109.3	48.5	0	0	0	0	118
233	K	38.5	Very low	37.7	Very low	184 Å²	184	144 Å²	144	80%	0.8	77%	0.773	S	S	*	*			trans	13.7	135.5	141.4	-55.9	157.6	-172.9	165.2	0	118
234	F	37	Very low	37.9	Very low	185 Å²	185	145 Å²	145	81%	0.811	77%	0.774	S	S	*	*				-165.5	170.4	79	-116.4	-97.2	0	0	0	116.2
235	R	36.4	Very low	37.8	Very low	216 Å²	216	144.2 Å²	144.2	82%	0.815	77%	0.768	S	S	*	*			trans	-35.8	169.4	168.9	-75.5	179.5	169.7	-171.5	-4	119
236	S	36.8	Very low	37.8	Very low	88 Å²	88	145.1 Å²	145.1	62%	0.615	77%	0.767	S	S	*	*			cis	173.9	167.1	-22.8	63.1	0	0	0	0	111.3
237	S	37.9	Very low	37.7	Very low	107 Å²	107	147.1 Å²	147.1	75%	0.748	77%	0.766	S	S	*	*			trans	77.9	153.5	158.7	87.2	0	0	0	0	117.5
238	S	38.5	Very low	37.4	Very low	94 Å²	94	142 Å²	142	66%	0.657	75%	0.752	S	S	*	*			cis	-174.2	147.6	-19.4	-102.7	0	0	0	0	112.8
239	K	38.4	Very low	37	Very low	200 Å²	200	139.1 Å²	139.1	87%	0.87	75%	0.746	S	S	*	*			trans	67.3	157.9	160.3	-60.8	160.8	-174.8	177.5	0	115
240	S	37.8	Very low	36.2	Very low	111 Å²	111	139.8 Å²	139.8	78%	0.776	74%	0.741	S	S	*	*			cis	-166.7	171.4	-18.3	53.2	0	0	0	0	106.8
241	S	38.2	Very low	35.8	Very low	95 Å²	95	140.9 Å²	140.9	66%	0.664	74%	0.739	S	S	*	*			cis	-169.7	152.3	23.4	-173.5	0	0	0	0	110.6
242	S	37.8	Very low	35.5	Very low	92 Å²	92	141.8 Å²	141.8	64%	0.643	74%	0.738	S	S	*	*			trans	61.2	149.2	151.4	-60.9	0	0	0	0	120.1
243	R	36.9	Very low	34.9	Very low	211 Å²	211	145.8 Å²	145.8	80%	0.796	74%	0.742	S	S	*	*			cis	-163.6	144.5	-7.2	-114.8	171.1	-176.6	153.7	-0.6	108.9
244	N	36.1	Very low	34.3	Very low	142 Å²	142	143.5 Å²	143.5	76%	0.759	74%	0.738	S	S	*	*			trans	56.5	143.5	147.6	-60.3	10.4	0	0	0	120.4
245	S	35.3	Very low	34	Very low	95 Å²	95	142.6 Å²	142.6	66%	0.664	74%	0.741	S	S	*	*			cis	-173.2	135.5	-10.1	48.5	0	0	0	0	112.2
246	L	33	Very low	33.4	Very low	150 Å²	150	137 Å²	137	79%	0.785	74%	0.735	S	S	*	*			trans	66	148	160.4	-53.3	172.9	0	0	0	116.9
247	Y	30.2	Very low	33.2	Very low	198 Å²	198	138.9 Å²	138.9	78%	0.776	74%	0.743	S	S	*	*			cis	-146.4	150.9	-3.2	-130.4	-62.4	0	0	0	108.9
248	S	32.8	Very low	32.9	Very low	83 Å²	83	142.8 Å²	142.8	58%	0.58	75%	0.746	S	S	*	*			trans	14.6	145.8	154.1	58.7	0	0	0	0	122.8
249	N	29.8	Very low	32.3	Very low	137 Å²	137	144.8 Å²	144.8	73%	0.733	76%	0.755	S	S	*	*			cis	-171.8	147.4	-4.6	-108.9	-20.1	0	0	0	113.2
250	I	31.6	Very low	31.9	Very low	127 Å²	127	140.3 Å²	140.3	65%	0.651	75%	0.749	S	S	*	*			trans	71.2	103.6	138.1	-62.4	168.3	0	0	0	121
251	K	33.7	Very low	31.5	Very low	182 Å²	182	141.1 Å²	141.1	79%	0.791	75%	0.749	S	S	*	*			trans	54.4	125.1	130.3	-53.5	177.1	-169.2	176.6	0	120.5
252	H	27.8	Very low	30.9	Very low	172 Å²	172	142.5 Å²	142.5	80%	0.796	75%	0.753	S	S	*	*				55.9	110	72	-96.4	-74.5	0	0	0	115.7
253	F	29.1	Very low	30.6	Very low	193 Å²	193	144.7 Å²	144.7	85%	0.846	76%	0.763	S	S	*	*				-170	144.7	105.5	-135.4	-106.1	0	0	0	112.6
254	D	24.9	Very low	30.1	Very low	136 Å²	136	142 Å²	142	73%	0.727	76%	0.764	S	S	*	*			trans	-90.1	139.5	165.6	-79.5	-69.3	0	0	0	110.4
255	L	30.2	Very low	29.9	Very low	166 Å²	166	144.8 Å²	144.8	87%	0.869	77%	0.772	S	S	*	*			trans	-170.4	139.7	130.9	-127.6	66.4	0	0	0	115
256	S	25	Very low	29.4	Very low	97 Å²	97	145.8 Å²	145.8	68%	0.678	78%	0.778	S	S	*	*			trans	-28.9	132.2	159.4	177.5	0	0	0	0	117.2
257	T	32.3	Very low	29.4	Very low	128 Å²	128	145.4 Å²	145.4	79%	0.785	78%	0.776	S	S	*	*				-173.5	144.9	110.5	21.4	0	0	0	0	116.2
258	K	31.5	Very low	29.4	Very low	189 Å²	189	143.8 Å²	143.8	82%	0.822	78%	0.776	S	S	*	*			trans	-3.2	125.2	158.9	-63.2	173.6	177.8	177.7	0	120.9
259	T	25.4	Very low	29.3	Very low	136 Å²	136	148.8 Å²	148.8	83%	0.834	79%	0.792	S	S	*	*				55.5	112.1	126.3	-42.1	0	0	0	0	120.7
260	S	30.2	Very low	29.3	Very low	106 Å²	106	148.8 Å²	148.8	74%	0.741	79%	0.792	S	S	*	*				159.5	116.8	124.7	-178	0	0	0	0	115
261	V	29.5	Very low	29.3	Very low	128 Å²	128	150.5 Å²	150.5	78%	0.776	80%	0.803	S	S	*	*			trans	38.4	107	140.9	-169.9	0	0	0	0	121
262	V	25.6	Very low	29	Very low	124 Å²	124	149.8 Å²	149.8	75%	0.752	80%	0.802	S	S	*	*			trans	34.4	115	130.6	-171.8	0	0	0	0	120.2
263	T	31.1	Very low	29.2	Very low	139 Å²	139	146.5 Å²	146.5	85%	0.853	80%	0.798	S	S	*	*				-149.5	158	123.4	16.5	0	0	0	0	110.6
264	N	27.9	Very low	29.3	Very low	154 Å²	154	145.2 Å²	145.2	82%	0.824	80%	0.8	S	S	*	*			trans	-71.9	145.8	-177.3	-48.3	-71.6	0	0	0	112.4
265	E	31.2	Very low	29.5	Very low	200 Å²	200	150.9 Å²	150.9	94%	0.935	81%	0.811	S	S	*	*			trans	-140.4	136.7	137.7	-137.3	164.3	-140.9	0	0	109.3
266	C	25.4	Very low	29.5	Very low	116 Å²	116	148.3 Å²	148.3	78%	0.784	81%	0.807	S	S	*	*			trans	-112.5	129.9	-178.1	171.6	0	0	0	0	108.2
267	L	32.7	Very low	29.7	Very low	143 Å²	143	151.2 Å²	151.2	75%	0.749	81%	0.814	S	S	*	*			trans	-168.4	123.9	147.2	-104.1	167	0	0	0	110.7
268	Q	30.6	Very low	29.6	Very low	164 Å²	164	152.6 Å²	152.6	77%	0.766	82%	0.815	S	S	*	*			trans	34.4	114.2	148.1	-63.9	166.9	10.8	0	0	119.3
269	M	30.8	Very low	29.4	Very low	188 Å²	188	152.9 Å²	152.9	93%	0.926	82%	0.819	S	S	*	*				-150.3	146.2	95.4	-81	-133.1	-77.4	0	0	110.1
270	N	28.3	Very low	29.6	Very low	137 Å²	137	155.3 Å²	155.3	73%	0.733	82%	0.821	S	S	*	*			trans	-87.7	144.7	176.6	-61	-31.9	0	0	0	109.6
271	D	32	Very low	29.6	Very low	163 Å²	163	155.6 Å²	155.6	87%	0.872	82%	0.818	S	S	*	*			trans	-143.8	142.1	139.6	-139	-29.7	0	0	0	110.5
272	H	28.3	Very low	29.6	Very low	166 Å²	166	160.6 Å²	160.6	77%	0.769	82%	0.824	S	S	*	*			trans	-116.1	102	-165.2	-83.8	-75.7	0	0	0	112.3
273	S	31.2	Very low	29.9	Very low	103 Å²	103	160.4 Å²	160.4	72%	0.72	82%	0.823	S	S	*	*			trans	-152.5	160.9	160.4	45.8	0	0	0	0	111.2
274	N	32.4	Very low	29.7	Very low	167 Å²	167	157.5 Å²	157.5	89%	0.893	82%	0.822	S	S	*	*			trans	64.6	37.4	174.8	-55.9	-17.1	0	0	0	117.4
275	R	27.9	Very low	29.8	Very low	254 Å²	254	158.9 Å²	158.9	96%	0.958	82%	0.823	S	S	*	*			trans	-105.6	103.3	150	-108.3	-168.7	179.5	-166.8	0.5	109.9
276	S	30.6	Very low	29.7	Very low	112 Å²	112	154.8 Å²	154.8	78%	0.783	82%	0.817	S	S	*	*			trans	-156.7	166.5	165.6	-167.7	0	0	0	0	108.9
277	I	29.2	Very low	29.8	Very low	158 Å²	158	159.5 Å²	159.5	81%	0.81	82%	0.819	S	S	*	*	S	Bend	trans	74.4	137.8	-168.1	-47.1	175	0	0	0	112.5
278	I	29.8	Very low	29.5	Very low	158 Å²	158	161 Å²	161	81%	0.81	83%	0.828	S	S	*	*			trans	60.7	74	-168.6	-39.3	-172.2	0	0	0	114.1
279	Q	26.8	Very low	29.8	Very low	194 Å²	194	157.5 Å²	157.5	91%	0.907	82%	0.822	S	S	*	*			trans	-124	87	155.5	-178.2	178	-8.4	0	0	108.1
280	E	30.6	Very low	30.2	Very low	188 Å²	188	155.2 Å²	155.2	88%	0.879	82%	0.819	S	S	*	*			trans	-104.4	146.7	168.3	-76.5	-163.1	136.5	0	0	111.3
281	V	29.5	Very low	31	Very low	111 Å²	111	153.1 Å²	153.1	67%	0.673	81%	0.807	S	S	*	*			trans	-83.5	130	-161.2	176.8	0	0	0	0	111.5	T283	V281-T283 HydrophobicContact CG1-CG2 4.1Å
282	Y	29.5	Very low	32	Very low	233 Å²	233	149 Å²	149	91%	0.914	79%	0.789	S	S	*	*			trans	-133.2	102.2	142.1	-103	-84.4	0	0	0	109.5
283	T	33.1	Very low	33	Very low	120 Å²	120	150 Å²	150	74%	0.736	79%	0.791	S	S	*	*			trans	-67.2	136.6	165.7	42.5	0	0	0	0	109.2	V281	V281-T283 HydrophobicContact CG1-CG2 4.1Å
284	G	27.1	Very low	33.9	Very low	79 Å²	79	150.1 Å²	150.1	81%	0.814	78%	0.78	S	S	*	*			trans	-77.2	140.5	-163.3	0	0	0	0	0	115.5
285	E	29.9	Very low	35.1	Very low	183 Å²	183	144.9 Å²	144.9	86%	0.855	75%	0.754	S	S	*	*			trans	-116.2	152.3	147.3	-69.8	-164.3	145.4	0	0	109.1	Y287	E285-Y287 PolarHBondContact O-N 2.73Å
286	S	27.5	Very low	36.4	Very low	114 Å²	114	137 Å²	137	80%	0.797	73%	0.73	S	S	*	*			trans	-85.3	109.4	-170.6	56.7	0	0	0	0	112.8
287	Y	27.9	Very low	37.6	Very low	214 Å²	214	137.4 Å²	137.4	84%	0.839	72%	0.718	S	S	*	*			trans	-127	111.9	161.1	-92.7	-83.3	0	0	0	112.1	E285 S289	E285-Y287 PolarHBondContact O-N 2.73Å; Y287-S289 PolarHBondContact O-N 3.38Å; Y287-S289 VanDerWaalsContact O-N 3.16Å
288	N	28	Very low	38.7	Very low	174 Å²	174	133 Å²	133	93%	0.93	70%	0.696	S	S	*	*			trans	-71	103.1	170.1	-75.5	-44.2	0	0	0	109.5
289	S	36	Very low	39.8	Very low	92 Å²	92	128.3 Å²	128.3	64%	0.643	67%	0.672	S	S	*	*			trans	-136.3	105.7	167.4	-172.9	0	0	0	0	110	Y287 I291	Y287-S289 PolarHBondContact O-N 3.38Å; Y287-S289 VanDerWaalsContact O-N 3.16Å; S289-I291 VanDerWaalsContact C-N 3.27Å; S289-I291 PolarHBondContact O-N 3.44Å
290	T	38.4	Very low	41	Very low	139 Å²	139	124 Å²	124	85%	0.853	65%	0.654	S	S	*	*			trans	-77.6	78	178.2	-51.5	0	0	0	0	109.6	P292	T290-P292 WeakPolarHBondContact O-CD 3.36Å
291	I	46.4	Very low	41.9	Very low	94 Å²	94	117.9 Å²	117.9	48%	0.482	63%	0.626	S	S	.	*			trans	-57.1	121.2	176.8	-58.4	179.5	0	0	0	108.8	S289 V295 I296	S289-I291 VanDerWaalsContact C-N 3.27Å; S289-I291 PolarHBondContact O-N 3.44Å; I291-V295 HydrophobicContact CG2-CB 3.85Å; I291-V295 HydrophobicContact CG2-CG1 3.98Å; I291-I296 HydrophobicContact CG2-CD1 4.38Å; I291-I296 HydrophobicContact CG2-CG1 3.84Å
292	P	52.1	Low	42.8	Very low	77 Å²	77	120.1 Å²	120.1	50%	0.5	62%	0.622	S	S	.	*			trans	-61.4	143.7	-178.6	-24.2	33.9	0	0	0	112	T290 Q294 V295 I296	T290-P292 WeakPolarHBondContact O-CD 3.36Å; P292-Q294 PolarHBondContact O-N 3.38Å; P292-V295 HydrophobicContact CB-CG2 4.29Å; P292-V295 HydrophobicContact CG-CG2 4.28Å; P292-V295 PolarHBondContact O-N 2.76Å; P292-I296 PolarHBondContact O-N 2.95Å
293	K	50	Low	43.5	Very low	187 Å²	187	116.3 Å²	116.3	81%	0.813	61%	0.61	S	S	*	*	H	α-helix	trans	-54.6	-30.4	176.4	-65.7	-174.4	179.8	-178.7	0	112.8	I296 K297	K293-I296 PolarHBondContact O-N 3.01Å; K293-K297 PolarHBondContact O-N 3.15Å
294	Q	50.2	Low	43.9	Very low	104 Å²	104	113.8 Å²	113.8	49%	0.486	60%	0.595	S	S	.	*	H	α-helix	trans	-55.9	-47.3	171.6	-133.9	80.1	-7.1	0	0	112.1	P292 K297 N298	P292-Q294 PolarHBondContact O-N 3.38Å; Q294-K297 PolarHBondContact O-N 3.13Å; Q294-N298 WeakPolarHBondContact O-CB 3.43Å; Q294-N298 PolarHBondContact O-N 3.4Å; Q294-N298 PolarHBondContact O-OD1 3.38Å; Q294-N298 VanDerWaalsContact O-OD1 3.07Å
295	V	57.4	Low	44.7	Very low	58 Å²	58	113.1 Å²	113.1	35%	0.352	57%	0.569	S	S	.	*	H	α-helix	trans	-67.9	-43.3	-178.1	-178.6	0	0	0	0	110.3	I291 P292 K297 N298 D299	I291-V295 HydrophobicContact CG2-CB 3.85Å; I291-V295 HydrophobicContact CG2-CG1 3.98Å; P292-V295 HydrophobicContact CB-CG2 4.29Å; P292-V295 HydrophobicContact CG-CG2 4.28Å; P292-V295 PolarHBondContact O-N 2.76Å; V295-K297 VanDerWaalsContact C-N 3.35Å; V295-K297 PolarHBondContact O-N 3.22Å; V295-N298 PolarHBondContact O-N 2.93Å; V295-D299 WeakPolarHBondContact O-CB 3.34Å; V295-D299 PolarHBondContact O-N 3.02Å
296	I	53.9	Low	45.3	Very low	87 Å²	87	109.3 Å²	109.3	45%	0.446	55%	0.551	S	S	.	*	H	α-helix	trans	-61.7	-42.6	176.1	-59	174.8	0	0	0	110.9	I291 P292 K293 I300	I291-I296 HydrophobicContact CG2-CD1 4.38Å; I291-I296 HydrophobicContact CG2-CG1 3.84Å; P292-I296 PolarHBondContact O-N 2.95Å; K293-I296 PolarHBondContact O-N 3.01Å; I296-I300 HydrophobicContact CG2-CD1 3.91Å; I296-I300 WeakPolarHBondContact O-CB 3.39Å; I296-I300 VanDerWaalsContact O-CG1 3.27Å; I296-I300 WeakPolarHBondContact O-CG1 3.44Å; I296-I300 PolarHBondContact O-N 3.08Å
297	K	55.6	Low	46	Very low	122 Å²	122	108.2 Å²	108.2	53%	0.53	53%	0.532	S	S	.	.	H	α-helix	trans	-59.6	-52.1	173.4	-170.4	-159.7	179.5	-108.8	0	110.5	K293 Q294 V295 D299 I300 E301	K293-K297 PolarHBondContact O-N 3.15Å; Q294-K297 PolarHBondContact O-N 3.13Å; V295-K297 VanDerWaalsContact C-N 3.35Å; V295-K297 PolarHBondContact O-N 3.22Å; K297-D299 VanDerWaalsContact C-N 3.29Å; K297-D299 PolarHBondContact O-N 2.84Å; K297-I300 PolarHBondContact O-N 3.09Å; K297-E301 IonicContact NZ-OE2 2.72Å; K297-E301 PolarHBondContact NZ-OE2 2.89Å; K297-E301 VanDerWaalsContact O-CB 3.32Å; K297-E301 WeakPolarHBondContact O-CB 3.18Å; K297-E301 PolarHBondContact O-N 2.69Å
298	N	52.4	Low	46.8	Very low	65 Å²	65	100.5 Å²	100.5	35%	0.348	51%	0.506	S	S	.	.	H	α-helix	trans	-61.8	-36.3	-176.3	-66.3	2.3	0	0	0	112.1	Q294 V295 E301 R302	Q294-N298 WeakPolarHBondContact O-CB 3.43Å; Q294-N298 PolarHBondContact O-N 3.4Å; Q294-N298 PolarHBondContact O-OD1 3.38Å; Q294-N298 VanDerWaalsContact O-OD1 3.07Å; V295-N298 PolarHBondContact O-N 2.93Å; N298-E301 PolarHBondContact O-N 3.36Å; N298-R302 WeakPolarHBondContact O-CB 3.38Å; N298-R302 WeakPolarHBondContact O-CD 3.31Å; N298-R302 WeakPolarHBondContact O-CG 3.36Å; N298-R302 PolarHBondContact O-N 3.35Å
299	D	53.3	Low	47.7	Very low	59 Å²	59	96.5 Å²	96.5	32%	0.316	48%	0.483	S	S	.	.	H	α-helix	trans	-78.9	-29.6	178.1	-75.6	-8.3	0	0	0	113.4	V295 K297 R302 K303	V295-D299 WeakPolarHBondContact O-CB 3.34Å; V295-D299 PolarHBondContact O-N 3.02Å; K297-D299 VanDerWaalsContact C-N 3.29Å; K297-D299 PolarHBondContact O-N 2.84Å; D299-R302 IonicContact OD1-CZ 2.78Å; D299-R302 IonicContact OD1-NH1 3.9Å; D299-R302 PolarHBondContact OD1-NH1 3.47Å; D299-K303 VanDerWaalsContact O-CB 3.28Å; D299-K303 WeakPolarHBondContact O-CB 3.38Å; D299-K303 WeakPolarHBondContact O-CD 3.25Å; D299-K303 WeakPolarHBondContact O-CG 3.36Å; D299-K303 PolarHBondContact O-N 3.48Å
300	I	53.2	Low	47.9	Very low	103 Å²	103	98.4 Å²	98.4	53%	0.528	48%	0.477	S	S	.	.	H	α-helix	trans	-64.8	-48.3	166	-70.3	167.2	0	0	0	109.3	I296 K297 R302 K303 T304	I296-I300 HydrophobicContact CG2-CD1 3.91Å; I296-I300 WeakPolarHBondContact O-CB 3.39Å; I296-I300 VanDerWaalsContact O-CG1 3.27Å; I296-I300 WeakPolarHBondContact O-CG1 3.44Å; I296-I300 PolarHBondContact O-N 3.08Å; K297-I300 PolarHBondContact O-N 3.09Å; I300-R302 PolarHBondContact O-N 3.22Å; I300-K303 CarbonylContact O-C 3.45Å; I300-K303 PolarHBondContact O-N 3.43Å; I300-T304 PolarHBondContact O-N 3Å; I300-T304 PolarHBondContact O-OG1 2.82Å
301	E	48.2	Very low	48.1	Very low	60 Å²	60	94 Å²	94	28%	0.28	44%	0.444	S	S	.	.	H	α-helix	trans	-62.4	-42.6	-178.4	-158.4	-175	112.6	0	0	111.8	K297 N298 T304 K305	K297-E301 IonicContact NZ-OE2 2.72Å; K297-E301 PolarHBondContact NZ-OE2 2.89Å; K297-E301 VanDerWaalsContact O-CB 3.32Å; K297-E301 WeakPolarHBondContact O-CB 3.18Å; K297-E301 PolarHBondContact O-N 2.69Å; N298-E301 PolarHBondContact O-N 3.36Å; E301-T304 PolarHBondContact O-N 2.78Å; E301-K305 HydrophobicContact CG-CD 4.38Å; E301-K305 WeakPolarHBondContact O-CB 3.26Å; E301-K305 WeakPolarHBondContact O-CG 3.49Å; E301-K305 PolarHBondContact O-N 3.1Å; E301-K305 IonicContact OE1-NZ 3.95Å; E301-K305 PolarHBondContact OE1-NZ 2.81Å
302	R	47.8	Very low	47.9	Very low	159 Å²	159	91.1 Å²	91.1	60%	0.6	43%	0.43	S	S	*	.	H	α-helix	trans	-59.7	-44.5	168.9	-76.8	166.5	177.4	153.8	-4.8	112.3	N298 D299 I300 T304 K305 Q306	N298-R302 WeakPolarHBondContact O-CB 3.38Å; N298-R302 WeakPolarHBondContact O-CD 3.31Å; N298-R302 WeakPolarHBondContact O-CG 3.36Å; N298-R302 PolarHBondContact O-N 3.35Å; D299-R302 IonicContact OD1-CZ 2.78Å; D299-R302 IonicContact OD1-NH1 3.9Å; D299-R302 PolarHBondContact OD1-NH1 3.47Å; I300-R302 PolarHBondContact O-N 3.22Å; R302-T304 VanDerWaalsContact C-N 3.35Å; R302-K305 PolarHBondContact O-N 3.24Å; R302-Q306 WeakPolarHBondContact O-CB 3.34Å; R302-Q306 PolarHBondContact O-N 3.1Å
303	K	44.5	Very low	47.3	Very low	153 Å²	153	89.9 Å²	89.9	67%	0.665	42%	0.419	S	S	*	.	H	α-helix	trans	-68.6	-32.8	179.7	-76.5	168.8	-176.2	173.9	0	112.4	D299 I300 K307	D299-K303 VanDerWaalsContact O-CB 3.28Å; D299-K303 WeakPolarHBondContact O-CB 3.38Å; D299-K303 WeakPolarHBondContact O-CD 3.25Å; D299-K303 WeakPolarHBondContact O-CG 3.36Å; D299-K303 PolarHBondContact O-N 3.48Å; I300-K303 CarbonylContact O-C 3.45Å; I300-K303 PolarHBondContact O-N 3.43Å; K303-K307 WeakPolarHBondContact O-CB 3.46Å; K303-K307 PolarHBondContact O-N 2.66Å
304	T	41.7	Very low	47	Very low	67 Å²	67	85.5 Å²	85.5	41%	0.411	41%	0.405	S	S	.	.	H	α-helix	trans	-68.3	-52.9	170.1	-62.2	0	0	0	0	110.6	I300 E301 R302 Q306 K307 D308	I300-T304 PolarHBondContact O-N 3Å; I300-T304 PolarHBondContact O-OG1 2.82Å; E301-T304 PolarHBondContact O-N 2.78Å; R302-T304 VanDerWaalsContact C-N 3.35Å; T304-Q306 VanDerWaalsContact C-N 3.26Å; T304-Q306 PolarHBondContact O-N 3.11Å; T304-K307 CarbonylContact O-C 3.57Å; T304-K307 WeakPolarHBondContact O-CA 3.34Å; T304-K307 WeakPolarHBondContact O-CB 3.41Å; T304-K307 PolarHBondContact O-N 2.7Å; T304-D308 VanDerWaalsContact O-CG 3.29Å; T304-D308 PolarHBondContact O-N 3.16Å
305	K	43.9	Very low	46.6	Very low	64 Å²	64	81.1 Å²	81.1	28%	0.278	38%	0.384	S	S	.	.	H	α-helix	trans	-55.8	-40.6	175.8	-72.3	168.9	176.7	172.8	0	111.8	E301 R302 D308 I309 E361	E301-K305 HydrophobicContact CG-CD 4.38Å; E301-K305 WeakPolarHBondContact O-CB 3.26Å; E301-K305 WeakPolarHBondContact O-CG 3.49Å; E301-K305 PolarHBondContact O-N 3.1Å; E301-K305 IonicContact OE1-NZ 3.95Å; E301-K305 PolarHBondContact OE1-NZ 2.81Å; R302-K305 PolarHBondContact O-N 3.24Å; K305-D308 PolarHBondContact O-N 2.97Å; K305-I309 WeakPolarHBondContact O-CB 3.11Å; K305-I309 WeakPolarHBondContact O-CD1 3.45Å; K305-I309 WeakPolarHBondContact O-CG1 3.46Å; K305-I309 PolarHBondContact O-N 3.2Å; K305-E361 WeakPolarHBondContact CE-OE2 3.43Å; K305-E361 IonicContact NZ-OE2 3.81Å; K305-E361 PolarHBondContact NZ-OE2 2.99Å
306	Q	43.5	Very low	46	Very low	103 Å²	103	79.8 Å²	79.8	48%	0.481	38%	0.375	S	S	.	.	H	α-helix	trans	-74.1	-20.8	173.9	-164	65.4	40.5	0	0	113.8	R302 T304 R310	R302-Q306 WeakPolarHBondContact O-CB 3.34Å; R302-Q306 PolarHBondContact O-N 3.1Å; T304-Q306 VanDerWaalsContact C-N 3.26Å; T304-Q306 PolarHBondContact O-N 3.11Å; Q306-R310 WeakPolarHBondContact O-CB 3.26Å; Q306-R310 WeakPolarHBondContact O-CG 3.29Å; Q306-R310 PolarHBondContact O-N 2.73Å; Q306-R310 PolarHBondContact O-NE 3.32Å; Q306-R310 PolarHBondContact O-NH2 2.77Å
307	K	41.4	Very low	45.5	Very low	91 Å²	91	78.8 Å²	78.8	40%	0.396	37%	0.373	S	S	.	.	H	α-helix	trans	-74.5	-48.6	166.8	-171.2	-157.4	171.9	-168.1	0	108.8	K303 T304 I309 R310 Y311 E447	K303-K307 WeakPolarHBondContact O-CB 3.46Å; K303-K307 PolarHBondContact O-N 2.66Å; T304-K307 CarbonylContact O-C 3.57Å; T304-K307 WeakPolarHBondContact O-CA 3.34Å; T304-K307 WeakPolarHBondContact O-CB 3.41Å; T304-K307 PolarHBondContact O-N 2.7Å; K307-I309 PolarHBondContact O-N 3.4Å; K307-R310 PolarHBondContact O-N 2.64Å; K307-Y311 WeakPolarHBondContact O-CB 3.16Å; K307-Y311 PolarHBondContact O-N 3.06Å; K307-E447 IonicContact NZ-OE1 3.48Å; K307-E447 PolarHBondContact NZ-OE1 3.09Å; K307-E447 IonicContact NZ-OE2 3.15Å; K307-E447 PolarHBondContact NZ-OE2 3.49Å
308	D	45.6	Very low	44.7	Very low	52 Å²	52	76.6 Å²	76.6	28%	0.278	37%	0.367	S	S	.	.	H	α-helix	trans	-66.9	-39	-174.6	-64.5	-4.4	0	0	0	112.3	T304 K305 L312	T304-D308 VanDerWaalsContact O-CG 3.29Å; T304-D308 PolarHBondContact O-N 3.16Å; K305-D308 PolarHBondContact O-N 2.97Å; D308-L312 WeakPolarHBondContact O-CB 3.45Å; D308-L312 WeakPolarHBondContact O-CG 3.18Å; D308-L312 PolarHBondContact O-N 2.93Å
309	I	45.8	Very low	44.3	Very low	90 Å²	90	74.6 Å²	74.6	46%	0.462	36%	0.356	S	S	.	.	H	α-helix	trans	-69.1	-42.1	174	-68.9	165.6	0	0	0	111.2	K305 K307 N313	K305-I309 WeakPolarHBondContact O-CB 3.11Å; K305-I309 WeakPolarHBondContact O-CD1 3.45Å; K305-I309 WeakPolarHBondContact O-CG1 3.46Å; K305-I309 PolarHBondContact O-N 3.2Å; K307-I309 PolarHBondContact O-N 3.4Å; I309-N313 WeakPolarHBondContact O-CB 3.41Å; I309-N313 VanDerWaalsContact O-CG 3.28Å; I309-N313 PolarHBondContact O-N 2.9Å; I309-N313 PolarHBondContact O-ND2 3.19Å
310	R	41.2	Very low	43.6	Very low	133 Å²	133	73.1 Å²	73.1	50%	0.502	35%	0.348	S	S	.	.	H	α-helix	trans	-68.1	-44.3	174.9	-80.7	-178.6	-65.7	164.2	4.9	111.8	Q306 K307 L312 N313 D314	Q306-R310 WeakPolarHBondContact O-CB 3.26Å; Q306-R310 WeakPolarHBondContact O-CG 3.29Å; Q306-R310 PolarHBondContact O-N 2.73Å; Q306-R310 PolarHBondContact O-NE 3.32Å; Q306-R310 PolarHBondContact O-NH2 2.77Å; K307-R310 PolarHBondContact O-N 2.64Å; R310-L312 VanDerWaalsContact C-N 3.34Å; R310-L312 PolarHBondContact O-N 2.93Å; R310-N313 CarbonylContact O-C 3.55Å; R310-N313 PolarHBondContact O-N 2.95Å; R310-N313 VanDerWaalsContact O-N 3.15Å; R310-D314 VanDerWaalsContact O-CB 3.31Å; R310-D314 WeakPolarHBondContact O-CB 3.23Å; R310-D314 PolarHBondContact O-N 2.91Å
311	Y	42.2	Very low	42.7	Very low	45 Å²	45	69.7 Å²	69.7	18%	0.176	33%	0.332	C	S	.	.	H	α-helix	trans	-58.4	-46.2	176	-179.6	-106.8	0	0	0	110.6	K307 D314 L315 L440 D444 E448	K307-Y311 WeakPolarHBondContact O-CB 3.16Å; K307-Y311 PolarHBondContact O-N 3.06Å; Y311-D314 PolarHBondContact O-N 3.13Å; Y311-L315 HydrophobicContact CE1-CD1 4.35Å; Y311-L315 WeakPolarHBondContact O-CB 3.17Å; Y311-L315 PolarHBondContact O-N 3.07Å; Y311-L440 WeakPolarHBondContact OH-CD2 3.5Å; Y311-D444 PolarHBondContact OH-OD2 3.25Å; Y311-E448 WeakPolarHBondContact CE1-OE2 3.17Å
312	L	41.6	Very low	42.2	Very low	35 Å²	35	75 Å²	75	18%	0.183	35%	0.35	C	S	.	.	H	α-helix	trans	-61.9	-48.2	172.7	-74.7	-173.3	0	0	0	111.8	D308 R310 D314 L315 I316	D308-L312 WeakPolarHBondContact O-CB 3.45Å; D308-L312 WeakPolarHBondContact O-CG 3.18Å; D308-L312 PolarHBondContact O-N 2.93Å; R310-L312 VanDerWaalsContact C-N 3.34Å; R310-L312 PolarHBondContact O-N 2.93Å; L312-D314 PolarHBondContact O-N 2.78Å; L312-L315 HydrophobicContact CD2-CD2 3.79Å; L312-L315 PolarHBondContact O-N 3.18Å; L312-I316 HydrophobicContact CB-CD1 4Å; L312-I316 WeakPolarHBondContact O-CB 3.36Å; L312-I316 WeakPolarHBondContact O-CD1 3.1Å; L312-I316 WeakPolarHBondContact O-CG1 3.47Å; L312-I316 PolarHBondContact O-N 3.25Å
313	N	40.2	Very low	41.8	Very low	51 Å²	51	68 Å²	68	27%	0.273	33%	0.325	S	S	.	.	H	α-helix	trans	-59.6	-41.9	177.5	-72.7	-27.3	0	0	0	113.1	I309 R310 T317	I309-N313 WeakPolarHBondContact O-CB 3.41Å; I309-N313 VanDerWaalsContact O-CG 3.28Å; I309-N313 PolarHBondContact O-N 2.9Å; I309-N313 PolarHBondContact O-ND2 3.19Å; R310-N313 CarbonylContact O-C 3.55Å; R310-N313 PolarHBondContact O-N 2.95Å; R310-N313 VanDerWaalsContact O-N 3.15Å; N313-T317 WeakPolarHBondContact O-CB 3.34Å; N313-T317 PolarHBondContact O-N 3.12Å; N313-T317 PolarHBondContact O-OG1 3.44Å
314	D	42.9	Very low	41.6	Very low	95 Å²	95	66.3 Å²	66.3	51%	0.508	32%	0.318	S	S	.	.	H	α-helix	trans	-67.5	-47.4	178.6	-69.8	-34.9	0	0	0	110.9	R310 Y311 L312 N318	R310-D314 VanDerWaalsContact O-CB 3.31Å; R310-D314 WeakPolarHBondContact O-CB 3.23Å; R310-D314 PolarHBondContact O-N 2.91Å; Y311-D314 PolarHBondContact O-N 3.13Å; L312-D314 PolarHBondContact O-N 2.78Å; D314-N318 VanDerWaalsContact O-CB 3.24Å; D314-N318 WeakPolarHBondContact O-CB 3.19Å; D314-N318 PolarHBondContact O-N 3.43Å; D314-N318 PolarHBondContact O-ND2 3.26Å
315	L	43.2	Very low	41.3	Very low	11 Å²	11	67.3 Å²	67.3	6%	0.058	33%	0.328	C	S	.	.	H	α-helix	trans	-56.1	-52	174.2	-179.2	90.3	0	0	0	110.7	Y311 L312 N318 I319 L436 L440	Y311-L315 HydrophobicContact CE1-CD1 4.35Å; Y311-L315 WeakPolarHBondContact O-CB 3.17Å; Y311-L315 PolarHBondContact O-N 3.07Å; L312-L315 HydrophobicContact CD2-CD2 3.79Å; L312-L315 PolarHBondContact O-N 3.18Å; L315-N318 PolarHBondContact O-N 2.92Å; L315-I319 HydrophobicContact CD1-CD1 3.6Å; L315-I319 HydrophobicContact CG-CD1 4.23Å; L315-I319 WeakPolarHBondContact O-CB 3.44Å; L315-I319 VanDerWaalsContact O-CG1 3.28Å; L315-I319 WeakPolarHBondContact O-CG1 3.42Å; L315-I319 PolarHBondContact O-N 3.33Å; L315-L436 HydrophobicContact CD2-CB 4.08Å; L315-L436 HydrophobicContact CD2-CD1 4.08Å; L315-L436 HydrophobicContact CD2-CD2 4.02Å; L315-L436 HydrophobicContact CD2-CG 4.3Å; L315-L436 HydrophobicContact CG-CD2 4.04Å; L315-L440 HydrophobicContact CD1-CD2 3.24Å; L315-L440 HydrophobicContact CD1-CG 3.93Å
316	I	44.5	Very low	40.9	Very low	31 Å²	31	69.4 Å²	69.4	16%	0.159	34%	0.342	C	S	.	.	H	α-helix	trans	-68.7	-42	-174.1	-72.7	170.3	0	0	0	110.7	L312 L320 I352 L436	L312-I316 HydrophobicContact CB-CD1 4Å; L312-I316 WeakPolarHBondContact O-CB 3.36Å; L312-I316 WeakPolarHBondContact O-CD1 3.1Å; L312-I316 WeakPolarHBondContact O-CG1 3.47Å; L312-I316 PolarHBondContact O-N 3.25Å; I316-L320 HydrophobicContact CG2-CD1 4.16Å; I316-I352 HydrophobicContact CB-CG2 4.44Å; I316-I352 HydrophobicContact CG2-CB 3.79Å; I316-I352 HydrophobicContact CG2-CD1 3.27Å; I316-I352 HydrophobicContact CG2-CG1 3.15Å; I316-I352 HydrophobicContact CG2-CG2 3.39Å; I316-L436 HydrophobicContact CD1-CD1 4.47Å; I316-L436 HydrophobicContact CG1-CD1 3.88Å; I316-L436 HydrophobicContact CG1-CD2 3.99Å
317	T	42	Very low	40.4	Very low	65 Å²	65	68.6 Å²	68.6	40%	0.399	35%	0.353	S	S	.	.	H	α-helix	trans	-69.5	-36.9	175.9	-55.1	0	0	0	0	112.7	N313 P321	N313-T317 WeakPolarHBondContact O-CB 3.34Å; N313-T317 PolarHBondContact O-N 3.12Å; N313-T317 PolarHBondContact O-OG1 3.44Å; T317-P321 WeakPolarHBondContact O-CG 3.39Å
318	N	39.3	Very low	39.9	Very low	77 Å²	77	73 Å²	73	41%	0.412	37%	0.372	S	S	.	.	H	α-helix	trans	-91.5	-20.9	-174.3	-73	-82.8	0	0	0	114.9	D314 L315 R322	D314-N318 VanDerWaalsContact O-CB 3.24Å; D314-N318 WeakPolarHBondContact O-CB 3.19Å; D314-N318 PolarHBondContact O-N 3.43Å; D314-N318 PolarHBondContact O-ND2 3.26Å; L315-N318 PolarHBondContact O-N 2.92Å; N318-R322 WeakPolarHBondContact O-CD 3.37Å; N318-R322 WeakPolarHBondContact O-CG 3.24Å; N318-R322 PolarHBondContact O-NE 3.41Å
319	I	44	Very low	39.2	Very low	22 Å²	22	79.7 Å²	79.7	11%	0.113	40%	0.399	C	S	.	.	H	α-helix	trans	-111.6	-46.2	-168.4	-56	-170.1	0	0	0	113.2	L315 R322 S323 H439 L440	L315-I319 HydrophobicContact CD1-CD1 3.6Å; L315-I319 HydrophobicContact CG-CD1 4.23Å; L315-I319 WeakPolarHBondContact O-CB 3.44Å; L315-I319 VanDerWaalsContact O-CG1 3.28Å; L315-I319 WeakPolarHBondContact O-CG1 3.42Å; L315-I319 PolarHBondContact O-N 3.33Å; I319-R322 PolarHBondContact O-N 2.86Å; I319-S323 PolarHBondContact O-N 3.43Å; I319-S323 VanDerWaalsContact O-N 3.1Å; I319-H439 HydrophobicContact CG2-CB 3.26Å; I319-L440 HydrophobicContact CD1-CD2 3.99Å
320	L	38.5	Very low	38.5	Very low	29 Å²	29	86 Å²	86	15%	0.152	42%	0.417	C	S	.	.	H	α-helix	trans	-59.5	-38.2	-179.8	-92.2	163.8	0	0	0	114.2	I316 R322 S323 F324 I348 L436	I316-L320 HydrophobicContact CG2-CD1 4.16Å; L320-R322 PolarHBondContact O-N 2.86Å; L320-S323 PolarHBondContact O-OG 3.42Å; L320-F324 HydrophobicContact CD2-CE2 3.87Å; L320-I348 HydrophobicContact CB-CG2 4.23Å; L320-L436 HydrophobicContact CD1-CD1 4.48Å; L320-L436 HydrophobicContact CD1-CD2 3.75Å; L320-L436 HydrophobicContact CD1-CG 4.19Å; L320-L436 HydrophobicContact CG-CD2 3.65Å; L320-L436 HydrophobicContact CG-CG 4.24Å
321	P	35.7	Very low	38.1	Very low	30 Å²	30	85.7 Å²	85.7	20%	0.195	43%	0.432	C	S	.	.	H	α-helix	trans	-67.3	-20.5	173.4	-24	36	0	0	0	114	T317	T317-P321 WeakPolarHBondContact O-CG 3.39Å
322	R	37.7	Very low	37.5	Very low	172 Å²	172	91 Å²	91	65%	0.649	47%	0.469	S	S	*	.	H	α-helix	trans	-96.1	-25.2	-174.2	-60.9	-170.9	-173.6	179.2	6.7	113.7	N318 I319 L320 N326	N318-R322 WeakPolarHBondContact O-CD 3.37Å; N318-R322 WeakPolarHBondContact O-CG 3.24Å; N318-R322 PolarHBondContact O-NE 3.41Å; I319-R322 PolarHBondContact O-N 2.86Å; L320-R322 PolarHBondContact O-N 2.86Å; R322-N326 PolarHBondContact O-ND2 3.19Å; R322-N326 VanDerWaalsContact O-ND2 3.17Å
323	S	38.5	Very low	37.2	Very low	12 Å²	12	92.4 Å²	92.4	8%	0.084	49%	0.492	C	S	.	.	H	α-helix	trans	-65.7	-52.7	179.2	52	0	0	0	0	112	I319 L320 S325 N326 H439	I319-S323 PolarHBondContact O-N 3.43Å; I319-S323 VanDerWaalsContact O-N 3.1Å; L320-S323 PolarHBondContact O-OG 3.42Å; S323-S325 VanDerWaalsContact C-N 3.3Å; S323-S325 PolarHBondContact O-N 3.44Å; S323-N326 PolarHBondContact O-N 2.63Å; S323-N326 PolarHBondContact O-ND2 3.19Å; S323-H439 WeakPolarHBondContact CB-CD2 3.42Å; S323-H439 VanDerWaalsContact CB-NE2 3.28Å; S323-H439 WeakPolarHBondContact CB-NE2 3.26Å
324	F	41.1	Very low	36.8	Very low	118 Å²	118	100 Å²	100	52%	0.518	52%	0.523	S	S	.	.	G	3₁₀ helix	trans	-71.3	-14.6	-171.3	-73.1	-79.4	0	0	0	115.4	L320 N326	L320-F324 HydrophobicContact CD2-CE2 3.87Å; F324-N326 VanDerWaalsContact C-N 3.26Å; F324-N326 PolarHBondContact O-N 3.23Å
325	S	35.6	Very low	36.3	Very low	87 Å²	87	101.6 Å²	101.6	61%	0.608	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-70.8	-14.1	174.6	-83.1	0	0	0	0	114.7	S323 A327	S323-S325 VanDerWaalsContact C-N 3.3Å; S323-S325 PolarHBondContact O-N 3.44Å; S325-A327 VanDerWaalsContact C-N 3.31Å; S325-A327 PolarHBondContact O-N 3.38Å
326	N	34.2	Very low	35.7	Very low	109 Å²	109	111 Å²	111	58%	0.583	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-80.4	-0.9	-170.2	-74.5	-69.4	0	0	0	115.9	R322 S323 F324 F328	R322-N326 PolarHBondContact O-ND2 3.19Å; R322-N326 VanDerWaalsContact O-ND2 3.17Å; S323-N326 PolarHBondContact O-N 2.63Å; S323-N326 PolarHBondContact O-ND2 3.19Å; F324-N326 VanDerWaalsContact C-N 3.26Å; F324-N326 PolarHBondContact O-N 3.23Å; N326-F328 VanDerWaalsContact C-N 3.31Å; N326-F328 PolarHBondContact O-N 2.99Å
327	A	32.6	Very low	35.2	Very low	85 Å²	85	115.1 Å²	115.1	70%	0.702	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-71.9	-17.5	179.8	0	0	0	0	0	114.5	S325	S325-A327 VanDerWaalsContact C-N 3.31Å; S325-A327 PolarHBondContact O-N 3.38Å
328	F	31.1	Very low	34.7	Very low	183 Å²	183	116.6 Å²	116.6	80%	0.803	63%	0.631	S	S	*	*			trans	-103.9	50.9	-174	-83	-83.1	0	0	0	114.8	N326 R330	N326-F328 VanDerWaalsContact C-N 3.31Å; N326-F328 PolarHBondContact O-N 2.99Å; F328-R330 PolarHBondContact O-N 2.89Å
329	K	31.2	Very low	34.3	Very low	194 Å²	194	118.2 Å²	118.2	84%	0.843	65%	0.648	S	S	*	*			trans	-71.3	88.4	163.7	-78.7	-177.3	177.7	173	0	111.1
330	R	32.1	Very low	34	Very low	221 Å²	221	123.3 Å²	123.3	83%	0.834	68%	0.683	S	S	*	*			trans	-112.3	146.4	160	-74.7	-166.6	177.1	-151.5	0.4	110.7	F328	F328-R330 PolarHBondContact O-N 2.89Å
331	P	31.2	Very low	33.8	Very low	127 Å²	127	127.1 Å²	127.1	83%	0.825	71%	0.708	S	S	*	*			trans	-74.6	165.6	-171.2	30.3	-36.2	0	0	0	113.8	G333	P331-G333 PolarHBondContact O-N 3.01Å
332	V	31.4	Very low	34	Very low	156 Å²	156	131 Å²	131	95%	0.945	73%	0.73	S	S	*	*			trans	-56.7	119.1	-170.3	-162.6	0	0	0	0	113.1
333	G	35.2	Very low	34	Very low	66 Å²	66	127.7 Å²	127.7	68%	0.68	73%	0.729	S	S	*	*			trans	-137.6	135	174.1	0	0	0	0	0	111.8	P331 C335	P331-G333 PolarHBondContact O-N 3.01Å; G333-C335 PolarHBondContact O-N 3.31Å
334	K	30.9	Very low	34.1	Very low	210 Å²	210	132.9 Å²	132.9	91%	0.913	76%	0.756	S	S	*	*			trans	-93.3	86.7	-172.2	-66.3	175.3	-178.1	170.5	0	112.4
335	C	32.9	Very low	34.1	Very low	129 Å²	129	131.2 Å²	131.2	87%	0.872	75%	0.753	S	S	*	*			trans	-122.2	141.1	168.8	-68.1	0	0	0	0	111.1	G333	G333-C335 PolarHBondContact O-N 3.31Å
336	K	30.2	Very low	34.3	Very low	208 Å²	208	133.4 Å²	133.4	90%	0.904	75%	0.753	S	S	*	*			trans	-119.2	97.6	179.9	-68.4	179.2	179.5	178.5	0	111
337	S	33.5	Very low	34.5	Very low	118 Å²	118	132 Å²	132	83%	0.825	74%	0.743	S	S	*	*			trans	178.3	158.7	155.8	45.3	0	0	0	0	111.7
338	A	32	Very low	34.8	Very low	95 Å²	95	129.6 Å²	129.6	79%	0.785	72%	0.718	S	S	*	*			trans	49.1	100	162.6	0	0	0	0	0	118.4
339	S	31.2	Very low	35.2	Very low	112 Å²	112	124.8 Å²	124.8	78%	0.783	70%	0.698	S	S	*	*			trans	-76.1	134.1	166.7	-50.2	0	0	0	0	111.8
340	P	37.9	Very low	35.8	Very low	128 Å²	128	122.2 Å²	122.2	83%	0.831	69%	0.686	S	S	*	*			trans	-69.1	140.9	162.6	-16.7	31.6	0	0	0	111.3
341	T	34.6	Very low	36.3	Very low	110 Å²	110	112.3 Å²	112.3	68%	0.675	65%	0.65	S	S	*	*			trans	-94.8	115	-172.5	22.5	0	0	0	0	114.1	V343	T341-V343 VanDerWaalsContact C-N 3.3Å; T341-V343 WeakPolarHBondContact O-CG2 3.49Å; T341-V343 PolarHBondContact O-N 2.79Å
342	T	38.9	Very low	36.8	Very low	110 Å²	110	107.1 Å²	107.1	68%	0.675	62%	0.615	S	S	*	*				46.5	16.2	118.7	67.6	0	0	0	0	122.1
343	V	38.3	Very low	37.2	Very low	103 Å²	103	103.9 Å²	103.9	62%	0.624	59%	0.593	S	S	*	*	S	Bend	trans	-86.5	-34.6	-176.9	177.5	0	0	0	0	114	T341	T341-V343 VanDerWaalsContact C-N 3.3Å; T341-V343 WeakPolarHBondContact O-CG2 3.49Å; T341-V343 PolarHBondContact O-N 2.79Å
344	N	39.9	Very low	37.4	Very low	122 Å²	122	103.5 Å²	103.5	65%	0.652	58%	0.58	S	S	*	*	S	Bend	trans	-83.3	-36.6	-168.4	-69.7	13.7	0	0	0	114.3	H346 H347 I348	N344-H346 VanDerWaalsContact C-N 3.28Å; N344-H346 PolarHBondContact O-N 3.34Å; N344-H347 WeakPolarHBondContact O-CB 3.29Å; N344-H347 PolarHBondContact O-N 3.14Å; N344-I348 PolarHBondContact O-N 2.88Å
345	D	41	Very low	37.9	Very low	83 Å²	83	95.8 Å²	95.8	44%	0.444	55%	0.546	S	S	.	.	H	α-helix	trans	-60.8	-39.8	-172.6	-50.4	-45.6	0	0	0	111.7	H347 I348 E349	D345-H347 VanDerWaalsContact C-N 3.27Å; D345-H347 PolarHBondContact O-N 3.48Å; D345-I348 PolarHBondContact O-N 2.99Å; D345-E349 PolarHBondContact O-N 2.93Å
346	H	39.8	Very low	38.1	Very low	133 Å²	133	97.2 Å²	97.2	62%	0.616	53%	0.533	S	S	*	.	H	α-helix	trans	-75.7	-11.1	-179.6	-145.1	39.6	0	0	0	113.4	N344 E349	N344-H346 VanDerWaalsContact C-N 3.28Å; N344-H346 PolarHBondContact O-N 3.34Å; H346-E349 IonicContact CE1-OE2 2.77Å; H346-E349 IonicContact CG-OE2 2.65Å; H346-E349 IonicContact ND1-OE2 3.84Å; H346-E349 PolarHBondContact ND1-OE2 3.19Å
347	H	39.1	Very low	38.6	Very low	80 Å²	80	92.9 Å²	92.9	37%	0.37	52%	0.515	S	S	.	.	H	α-helix	trans	-82.6	-38	171.5	-115.9	152.3	0	0	0	111.6	N344 D345 E349 K350 L351 T409	N344-H347 WeakPolarHBondContact O-CB 3.29Å; N344-H347 PolarHBondContact O-N 3.14Å; D345-H347 VanDerWaalsContact C-N 3.27Å; D345-H347 PolarHBondContact O-N 3.48Å; H347-E349 VanDerWaalsContact C-N 3.32Å; H347-E349 PolarHBondContact O-N 3.17Å; H347-K350 PolarHBondContact O-N 2.95Å; H347-K350 VanDerWaalsContact O-N 3.11Å; H347-L351 PolarHBondContact O-N 3.26Å; H347-T409 HydrophobicContact CB-CG2 4.16Å
348	I	38.3	Very low	38.5	Very low	34 Å²	34	93.5 Å²	93.5	17%	0.174	51%	0.509	C	S	.	.	H	α-helix	trans	-60.1	-46.3	173.6	-60.8	173.6	0	0	0	108.8	L320 N344 D345 K350 L351 I352	L320-I348 HydrophobicContact CB-CG2 4.23Å; N344-I348 PolarHBondContact O-N 2.88Å; D345-I348 PolarHBondContact O-N 2.99Å; I348-K350 PolarHBondContact O-N 3.21Å; I348-K350 VanDerWaalsContact O-N 3.09Å; I348-L351 WeakPolarHBondContact O-CB 3.37Å; I348-L351 PolarHBondContact O-N 3.18Å; I348-I352 HydrophobicContact CG2-CD1 3.82Å; I348-I352 HydrophobicContact CG2-CG1 4.43Å; I348-I352 WeakPolarHBondContact O-CD1 3.44Å; I348-I352 WeakPolarHBondContact O-CG1 3.46Å; I348-I352 PolarHBondContact O-N 2.95Å; I348-I352 VanDerWaalsContact O-N 3.14Å
349	E	39.7	Very low	38.3	Very low	81 Å²	81	95.1 Å²	95.1	38%	0.379	50%	0.504	S	S	.	.	H	α-helix	trans	-54.9	-28	174.7	-69	-178.5	143.5	0	0	114.6	D345 H346 H347	D345-E349 PolarHBondContact O-N 2.93Å; H346-E349 IonicContact CE1-OE2 2.77Å; H346-E349 IonicContact CG-OE2 2.65Å; H346-E349 IonicContact ND1-OE2 3.84Å; H346-E349 PolarHBondContact ND1-OE2 3.19Å; H347-E349 VanDerWaalsContact C-N 3.32Å; H347-E349 PolarHBondContact O-N 3.17Å
350	K	44.7	Very low	38.4	Very low	140 Å²	140	96 Å²	96	61%	0.609	49%	0.494	S	S	*	.	H	α-helix	trans	-79	-37.5	174	-76	-178	174.7	179.8	0	113.8	H347 I348 I352 D353 S354	H347-K350 PolarHBondContact O-N 2.95Å; H347-K350 VanDerWaalsContact O-N 3.11Å; I348-K350 PolarHBondContact O-N 3.21Å; I348-K350 VanDerWaalsContact O-N 3.09Å; K350-I352 PolarHBondContact O-N 3.14Å; K350-D353 PolarHBondContact O-N 3.4Å; K350-S354 PolarHBondContact O-N 3.06Å; K350-S354 VanDerWaalsContact O-N 3.11Å
351	L	41.3	Very low	38	Very low	13 Å²	13	96.4 Å²	96.4	7%	0.068	49%	0.485	C	S	.	.	H	α-helix	trans	-57.5	-40.7	171.9	-90.8	-178.8	0	0	0	111.1	H347 I348 D353 S354 F355 T409	H347-L351 PolarHBondContact O-N 3.26Å; I348-L351 WeakPolarHBondContact O-CB 3.37Å; I348-L351 PolarHBondContact O-N 3.18Å; L351-D353 PolarHBondContact O-N 3.2Å; L351-S354 WeakPolarHBondContact CA-OG 3.26Å; L351-S354 CarbonylContact O-C 3.24Å; L351-S354 WeakPolarHBondContact O-CA 3.07Å; L351-S354 WeakPolarHBondContact O-CB 3.25Å; L351-S354 PolarHBondContact O-N 3.45Å; L351-S354 PolarHBondContact O-OG 2.89Å; L351-F355 HydrophobicContact CB-CD2 4.13Å; L351-F355 HydrophobicContact CB-CE2 4Å; L351-F355 HydrophobicContact CD1-CE2 4.15Å; L351-F355 HydrophobicContact CD2-CD2 4.41Å; L351-F355 HydrophobicContact CD2-CE2 3.72Å; L351-F355 HydrophobicContact CD2-CZ 4.1Å; L351-F355 HydrophobicContact CG-CE2 4.17Å; L351-F355 WeakPolarHBondContact O-CD2 3.49Å; L351-F355 PolarHBondContact O-N 3.25Å; L351-T409 HydrophobicContact CD1-CG2 3.67Å; L351-T409 HydrophobicContact CD2-CG2 4.31Å; L351-T409 WeakPolarHBondContact CD2-O 3.42Å; L351-T409 HydrophobicContact CG-CG2 3.55Å
352	I	42.8	Very low	37.7	Very low	18 Å²	18	96.2 Å²	96.2	9%	0.092	49%	0.488	C	S	.	.	H	α-helix	trans	-58.2	-47.5	-176.5	-68.3	171.4	0	0	0	111.1	I316 I348 K350 S354 F355	I316-I352 HydrophobicContact CB-CG2 4.44Å; I316-I352 HydrophobicContact CG2-CB 3.79Å; I316-I352 HydrophobicContact CG2-CD1 3.27Å; I316-I352 HydrophobicContact CG2-CG1 3.15Å; I316-I352 HydrophobicContact CG2-CG2 3.39Å; I348-I352 HydrophobicContact CG2-CD1 3.82Å; I348-I352 HydrophobicContact CG2-CG1 4.43Å; I348-I352 WeakPolarHBondContact O-CD1 3.44Å; I348-I352 WeakPolarHBondContact O-CG1 3.46Å; I348-I352 PolarHBondContact O-N 2.95Å; I348-I352 VanDerWaalsContact O-N 3.14Å; K350-I352 PolarHBondContact O-N 3.14Å; I352-S354 VanDerWaalsContact C-N 3.35Å; I352-F355 PolarHBondContact O-N 3.13Å
353	D	38.9	Very low	37.2	Very low	88 Å²	88	100.1 Å²	100.1	47%	0.471	50%	0.499	S	S	.	.	H	α-helix	trans	-71.2	-26.9	173.3	-96.1	-25.5	0	0	0	113.1	K350 L351 R356	K350-D353 PolarHBondContact O-N 3.4Å; L351-D353 PolarHBondContact O-N 3.2Å; D353-R356 WeakPolarHBondContact O-CB 3.31Å; D353-R356 WeakPolarHBondContact O-CD 3.36Å; D353-R356 VanDerWaalsContact O-CG 3.24Å; D353-R356 WeakPolarHBondContact O-CG 3.27Å; D353-R356 PolarHBondContact O-N 3.4Å; D353-R356 IonicContact OD1-CZ 2.67Å; D353-R356 IonicContact OD1-NE 2.7Å; D353-R356 PolarHBondContact OD1-NE 3.16Å; D353-R356 IonicContact OD1-NH2 2.78Å; D353-R356 PolarHBondContact OD1-NH2 3.22Å; D353-R356 IonicContact OD2-NH2 3.87Å
354	S	39.3	Very low	36.8	Very low	59 Å²	59	100.2 Å²	100.2	41%	0.413	50%	0.504	S	S	.	.	H	α-helix	trans	-74.5	-26	174.8	81.9	0	0	0	0	114	K350 L351 I352 R356	K350-S354 PolarHBondContact O-N 3.06Å; K350-S354 VanDerWaalsContact O-N 3.11Å; L351-S354 WeakPolarHBondContact CA-OG 3.26Å; L351-S354 CarbonylContact O-C 3.24Å; L351-S354 WeakPolarHBondContact O-CA 3.07Å; L351-S354 WeakPolarHBondContact O-CB 3.25Å; L351-S354 PolarHBondContact O-N 3.45Å; L351-S354 PolarHBondContact O-OG 2.89Å; I352-S354 VanDerWaalsContact C-N 3.35Å; S354-R356 PolarHBondContact O-N 3.21Å
355	F	41.3	Very low	36.4	Very low	48 Å²	48	101.9 Å²	101.9	21%	0.211	51%	0.508	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	17.8	173.1	-69.9	-56.9	0	0	0	112.7	L351 I352 F357 H416	L351-F355 HydrophobicContact CB-CD2 4.13Å; L351-F355 HydrophobicContact CB-CE2 4Å; L351-F355 HydrophobicContact CD1-CE2 4.15Å; L351-F355 HydrophobicContact CD2-CD2 4.41Å; L351-F355 HydrophobicContact CD2-CE2 3.72Å; L351-F355 HydrophobicContact CD2-CZ 4.1Å; L351-F355 HydrophobicContact CG-CE2 4.17Å; L351-F355 WeakPolarHBondContact O-CD2 3.49Å; L351-F355 PolarHBondContact O-N 3.25Å; I352-F355 PolarHBondContact O-N 3.13Å; F355-F357 WeakPolarHBondContact O-CD2 3.39Å; F355-F357 WeakPolarHBondContact O-CE2 3.43Å; F355-F357 PolarHBondContact O-N 3.01Å; F355-H416 HydrophobicContact CE1-CB 4.13Å; F355-H416 AromaticContact CE1-CD2 3.67Å; F355-H416 AromaticContact CE1-CG 3.85Å
356	R	36.6	Very low	35.9	Very low	158 Å²	158	106.5 Å²	106.5	60%	0.596	53%	0.526	S	S	*	.			trans	-60.8	111.3	166.3	-78.9	179	-178.7	-148.1	7.2	109.4	D353 S354 D358	D353-R356 WeakPolarHBondContact O-CB 3.31Å; D353-R356 WeakPolarHBondContact O-CD 3.36Å; D353-R356 VanDerWaalsContact O-CG 3.24Å; D353-R356 WeakPolarHBondContact O-CG 3.27Å; D353-R356 PolarHBondContact O-N 3.4Å; D353-R356 IonicContact OD1-CZ 2.67Å; D353-R356 IonicContact OD1-NE 2.7Å; D353-R356 PolarHBondContact OD1-NE 3.16Å; D353-R356 IonicContact OD1-NH2 2.78Å; D353-R356 PolarHBondContact OD1-NH2 3.22Å; D353-R356 IonicContact OD2-NH2 3.87Å; S354-R356 PolarHBondContact O-N 3.21Å; R356-D358 VanDerWaalsContact C-N 3.34Å; R356-D358 PolarHBondContact O-N 3.27Å
357	F	41.5	Very low	35.6	Very low	118 Å²	118	105.9 Å²	105.9	52%	0.518	54%	0.537	S	S	.	.			trans	-68.9	85.1	-177.5	-72.6	-89.7	0	0	0	112.4	F355 N359 E429	F355-F357 WeakPolarHBondContact O-CD2 3.39Å; F355-F357 WeakPolarHBondContact O-CE2 3.43Å; F355-F357 PolarHBondContact O-N 3.01Å; F357-N359 PolarHBondContact O-N 3.36Å; F357-E429 HydrophobicContact CE1-CG 4.49Å
358	D	30.8	Very low	35.2	Very low	131 Å²	131	111.2 Å²	111.2	70%	0.701	56%	0.562	S	S	*	*			trans	-62.5	118.9	164.5	-87.4	-24.5	0	0	0	110.1	R356	R356-D358 VanDerWaalsContact C-N 3.34Å; R356-D358 PolarHBondContact O-N 3.27Å
359	N	29	Very low	35.1	Very low	129 Å²	129	119.2 Å²	119.2	69%	0.69	60%	0.595	S	S	*	*			trans	73.6	93.5	176.8	-48.9	-79.9	0	0	0	116.4	F357	F357-N359 PolarHBondContact O-N 3.36Å
360	F	33.6	Very low	34.8	Very low	130 Å²	130	120.6 Å²	120.6	57%	0.57	61%	0.614	S	S	*	*	S	Bend	trans	-130.4	131.4	148.7	-128.4	-93.7	0	0	0	111.8	H463	F360-H463 AromaticContact CE2-CE1 4Å; F360-H463 AromaticContact CE2-NE2 3.24Å; F360-H463 WeakPolarHBondContact CE2-NE2 3.43Å; F360-H463 AromaticContact CZ-CD2 3.88Å; F360-H463 AromaticContact CZ-NE2 3.17Å; F360-H463 WeakPolarHBondContact CZ-NE2 3.32Å
361	E	29.8	Very low	34.1	Very low	137 Å²	137	119.2 Å²	119.2	64%	0.64	63%	0.629	S	S	*	*			trans	62.4	80.2	-176.2	-59.8	-171.3	131.9	0	0	117.3	K305	K305-E361 WeakPolarHBondContact CE-OE2 3.43Å; K305-E361 IonicContact NZ-OE2 3.81Å; K305-E361 PolarHBondContact NZ-OE2 2.99Å
362	S	28.2	Very low	33.8	Very low	106 Å²	106	122.8 Å²	122.8	74%	0.741	66%	0.655	S	S	*	*			trans	-124.2	24.5	168	53.1	0	0	0	0	114.3
363	E	27.9	Very low	33.5	Very low	191 Å²	191	128.9 Å²	128.9	89%	0.893	69%	0.688	S	S	*	*			trans	-137.7	57.1	-170.7	-155.6	167.3	-137.5	0	0	115.3
364	S	28.4	Very low	33.3	Very low	105 Å²	105	134.2 Å²	134.2	73%	0.734	71%	0.707	S	S	*	*	S	Bend	trans	-157.2	43.9	166.4	61.2	0	0	0	0	118.2
365	Q	33	Very low	32.8	Very low	157 Å²	157	139.2 Å²	139.2	73%	0.734	73%	0.728	S	S	*	*			trans	-163.6	134.8	151.7	-115.6	141.5	105.2	0	0	113.8
366	H	30.6	Very low	32.2	Very low	181 Å²	181	143.4 Å²	143.4	84%	0.838	76%	0.758	S	S	*	*			trans	-79	138.1	179.3	-73.3	-81.5	0	0	0	113.6
367	S	32.5	Very low	32	Very low	119 Å²	119	141.1 Å²	141.1	83%	0.832	76%	0.762	S	S	*	*				-149.3	158	129.3	68.3	0	0	0	0	109.7
368	E	31.4	Very low	31.4	Very low	193 Å²	193	143 Å²	143	90%	0.902	78%	0.777	S	S	*	*			trans	-90.8	130.5	-162.2	-60.1	163.9	131.3	0	0	112.9
369	K	36.8	Very low	31.7	Very low	201 Å²	201	142.9 Å²	142.9	87%	0.874	77%	0.773	S	S	*	*			trans	-154.2	133.7	158	-136	173.3	-176.4	-177.5	0	112.3
370	S	32.8	Very low	32.7	Very low	111 Å²	111	141.1 Å²	141.1	78%	0.776	77%	0.77	S	S	*	*			trans	15.6	106.8	175.7	-59.7	0	0	0	0	119.1
371	A	30.2	Very low	33.7	Very low	111 Å²	111	139 Å²	139	92%	0.917	77%	0.772	S	S	*	*			trans	-88.1	108.3	160.2	0	0	0	0	0	110.3
372	S	35	Very low	35.1	Very low	87 Å²	87	133.7 Å²	133.7	61%	0.608	75%	0.749	S	S	*	*	S	Bend	trans	-150.8	-37.5	169.8	51.2	0	0	0	0	113.2
373	D	35.9	Very low	36.9	Very low	147 Å²	147	132.4 Å²	132.4	79%	0.786	74%	0.736	S	S	*	*	S	Bend	trans	-104.1	9.9	-159.3	-54.8	-4.6	0	0	0	114.8
374	F	33.9	Very low	38.5	Very low	199 Å²	199	123.9 Å²	123.9	87%	0.873	70%	0.697	S	S	*	*			trans	-115	44.4	-168.5	-113.5	-86.4	0	0	0	114.5
375	L	29.2	Very low	40.2	Very low	164 Å²	164	120.8 Å²	120.8	86%	0.859	67%	0.672	S	S	*	*			trans	-134.3	37.1	-175.3	-79	179.1	0	0	0	116.3
376	T	29	Very low	41.5	Very low	137 Å²	137	120.6 Å²	120.6	84%	0.84	67%	0.666	S	S	*	*			trans	-158.1	89.6	159.4	45.4	0	0	0	0	113.8
377	T	32.3	Very low	42.9	Very low	109 Å²	109	120.1 Å²	120.1	67%	0.669	66%	0.664	S	S	*	*			trans	-154.9	75.3	158	28.9	0	0	0	0	110.6	E379	T377-E379 HydrophobicContact CG2-CG 4.29Å; T377-E379 PolarHBondContact O-N 3.12Å
378	N	30.2	Very low	44.5	Very low	159 Å²	159	115.8 Å²	115.8	85%	0.85	63%	0.631	S	S	*	*			trans	-79.1	66.8	165.6	-81.1	-10.2	0	0	0	109.5	S380	N378-S380 PolarHBondContact O-N 2.67Å
379	E	35.2	Very low	46.5	Very low	128 Å²	128	110.1 Å²	110.1	60%	0.598	61%	0.609	S	S	*	*			trans	-73.5	69	174	-66.9	-57.6	138.1	0	0	110	T377	T377-E379 HydrophobicContact CG2-CG 4.29Å; T377-E379 PolarHBondContact O-N 3.12Å
380	S	51.2	Low	48.8	Very low	91 Å²	91	100.7 Å²	100.7	64%	0.636	57%	0.569	S	S	*	*			trans	-96.8	8.4	179	-53.5	0	0	0	0	113.1	N378	N378-S380 PolarHBondContact O-N 2.67Å
381	S	54.2	Low	51.4	Low	86 Å²	86	99 Å²	99	60%	0.601	55%	0.554	S	S	*	*	S	Bend	trans	-124.2	135.2	175.4	-63.1	0	0	0	0	108.8	V383	S381-V383 PolarHBondContact O-N 3.06Å; S381-V383 VanDerWaalsContact O-N 3.1Å
382	P	58.3	Low	54.1	Low	26 Å²	26	95.8 Å²	95.8	17%	0.169	52%	0.518	C	S	.	.			trans	-66.1	110	173.4	27.6	-35.1	0	0	0	110.4	F511	P382-F511 HydrophobicContact CB-CB 4.5Å; P382-F511 HydrophobicContact CB-CD2 3.56Å; P382-F511 HydrophobicContact CB-CE2 3.79Å; P382-F511 HydrophobicContact CB-CG 4.08Å; P382-F511 HydrophobicContact CG-CB 3.74Å; P382-F511 HydrophobicContact CG-CD2 3.7Å; P382-F511 HydrophobicContact CG-CE2 4.42Å; P382-F511 HydrophobicContact CG-CG 3.86Å; P382-F511 WeakPolarHBondContact O-CD2 3.34Å
383	V	66.3	Low	56.7	Low	78 Å²	78	94.7 Å²	94.7	47%	0.473	51%	0.511	S	S	.	.			trans	-74.5	131.5	171.5	179.2	0	0	0	0	109.8	S381 N385 Y386 H417	S381-V383 PolarHBondContact O-N 3.06Å; S381-V383 VanDerWaalsContact O-N 3.1Å; V383-N385 PolarHBondContact O-N 2.73Å; V383-Y386 HydrophobicContact CG1-CE2 4.4Å; V383-H417 PolarHBondContact N-NE2 3.01Å; V383-H417 PolarHBondContact O-CD2 3.48Å; V383-H417 VanDerWaalsContact O-CD2 3.27Å; V383-H417 PolarHBondContact O-NE2 2.82Å
384	L	62	Low	59.4	Low	13 Å²	13	89.2 Å²	89.2	7%	0.068	48%	0.48	C	S	.	.			trans	-57.3	134	-177.7	-68.5	164.7	0	0	0	112.9	Y386 F511 E514 L515 L518	L384-Y386 HydrophobicContact CB-CE1 4.32Å; L384-Y386 HydrophobicContact CB-CE2 4.25Å; L384-Y386 WeakPolarHBondContact O-CD2 3.39Å; L384-Y386 WeakPolarHBondContact O-CE2 3.29Å; L384-Y386 PolarHBondContact O-N 3.36Å; L384-F511 HydrophobicContact CD2-CD2 3.64Å; L384-F511 HydrophobicContact CD2-CE2 3.59Å; L384-F511 HydrophobicContact CD2-CG 4.28Å; L384-F511 HydrophobicContact CD2-CZ 4.11Å; L384-F511 HydrophobicContact CG-CD2 4.19Å; L384-F511 HydrophobicContact CG-CE2 4.15Å; L384-E514 HydrophobicContact CD1-CB 3.94Å; L384-L515 HydrophobicContact CD2-CB 3.8Å; L384-L515 HydrophobicContact CD2-CD1 4Å; L384-L515 HydrophobicContact CD2-CG 4.45Å; L384-L518 HydrophobicContact CD1-CD1 3.68Å
385	N	65	Low	62.2	Low	40 Å²	40	79.7 Å²	79.7	21%	0.214	44%	0.439	C	S	.	.			trans	-76.6	90	170.6	-179.9	5.1	0	0	0	109.5	V383 H387 N388 S413 Q414	V383-N385 PolarHBondContact O-N 2.73Å; N385-H387 PolarHBondContact O-N 3.27Å; N385-H387 VanDerWaalsContact O-N 3.11Å; N385-H387 PolarHBondContact OD1-N 3.27Å; N385-N388 PolarHBondContact ND2-ND2 2.99Å; N385-N388 PolarHBondContact O-N 3.46Å; N385-N388 VanDerWaalsContact O-N 3.14Å; N385-S413 PolarHBondContact ND2-OG 2.98Å; N385-S413 VanDerWaalsContact ND2-OG 3.15Å; N385-Q414 PolarHBondContact O-NE2 3.06Å
386	Y	60.4	Low	65.2	Low	152 Å²	152	76.1 Å²	76.1	60%	0.596	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-9.4	-177.4	-66.7	-77.7	0	0	0	115.2	V383 L384 L518	V383-Y386 HydrophobicContact CG1-CE2 4.4Å; L384-Y386 HydrophobicContact CB-CE1 4.32Å; L384-Y386 HydrophobicContact CB-CE2 4.25Å; L384-Y386 WeakPolarHBondContact O-CD2 3.39Å; L384-Y386 WeakPolarHBondContact O-CE2 3.29Å; L384-Y386 PolarHBondContact O-N 3.36Å; Y386-L518 HydrophobicContact CD1-CD1 4.42Å; Y386-L518 HydrophobicContact CE1-CD1 3.94Å
387	H	59.8	Low	68.2	Low	172 Å²	172	73 Å²	73	80%	0.796	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-22.5	174.1	-67.3	-68.5	0	0	0	113	N385	N385-H387 PolarHBondContact O-N 3.27Å; N385-H387 VanDerWaalsContact O-N 3.11Å; N385-H387 PolarHBondContact OD1-N 3.27Å
388	N	65.2	Low	71.2	Confident	28 Å²	28	67.9 Å²	67.9	15%	0.15	36%	0.362	C	S	.	.			trans	-119.4	61.7	-173.2	-65.5	-5.9	0	0	0	110.2	N385 P390 D410 S413 Q414	N385-N388 PolarHBondContact ND2-ND2 2.99Å; N385-N388 PolarHBondContact O-N 3.46Å; N385-N388 VanDerWaalsContact O-N 3.14Å; N388-P390 WeakPolarHBondContact O-CD 3.49Å; N388-D410 WeakPolarHBondContact CB-OD1 3.32Å; N388-S413 WeakPolarHBondContact ND2-CB 3.35Å; N388-S413 PolarHBondContact ND2-OG 2.9Å; N388-Q414 PolarHBondContact O-NE2 3.05Å
389	V	74.1	Confident	74.3	Confident	73 Å²	73	63.8 Å²	63.8	44%	0.442	34%	0.338	S	S	.	.			trans	-82.7	111.5	179	-179.6	0	0	0	0	109.5	V519	V389-V519 HydrophobicContact CG1-CG2 3.87Å
390	P	84.1	Confident	77	Confident	4 Å²	4	63.4 Å²	63.4	3%	0.026	34%	0.336	C	S	.	.			trans	-79.2	163.6	-172.9	34.5	-37.1	0	0	0	112.2	N388 Q394 L395 W398 D410 L515 V519	N388-P390 WeakPolarHBondContact O-CD 3.49Å; P390-Q394 HydrophobicContact CB-CB 4Å; P390-L395 HydrophobicContact CB-CD2 4.46Å; P390-L395 HydrophobicContact CG-CD2 3.63Å; P390-L395 HydrophobicContact CG-CG 3.95Å; P390-W398 HydrophobicContact CB-CH2 3.54Å; P390-W398 HydrophobicContact CB-CZ2 3.58Å; P390-W398 HydrophobicContact CG-CH2 3.53Å; P390-W398 HydrophobicContact CG-CZ2 4.09Å; P390-W398 HydrophobicContact CG-CZ3 4.13Å; P390-D410 HydrophobicContact CB-CB 4.23Å; P390-L515 HydrophobicContact CG-CD1 4.25Å; P390-L515 HydrophobicContact CG-CD2 4.13Å; P390-L515 HydrophobicContact CG-CG 4.2Å; P390-V519 HydrophobicContact CG-CG2 4.13Å; P390-V519 VanDerWaalsContact O-CG1 3.25Å; P390-V519 WeakPolarHBondContact O-CG1 3.37Å; P390-V519 WeakPolarHBondContact O-CG2 3.35Å
391	T	87.1	Confident	79.1	Confident	75 Å²	75	60.7 Å²	60.7	46%	0.46	32%	0.317	S	S	.	.			trans	-77.3	159.2	170.8	62.8	0	0	0	0	112.4	S393 Q394 L395	T391-S393 PolarHBondContact O-N 3.04Å; T391-S393 VanDerWaalsContact O-N 3.13Å; T391-Q394 PolarHBondContact O-N 3.13Å; T391-Q394 WeakPolarHBondContact OG1-CG 3.49Å; T391-Q394 PolarHBondContact OG1-N 3.01Å; T391-Q394 PolarHBondContact OG1-OE1 3.35Å; T391-L395 PolarHBondContact O-N 3.35Å; T391-L395 VanDerWaalsContact O-N 3.11Å
392	R	87.8	Confident	81.2	Confident	43 Å²	43	56.6 Å²	56.6	16%	0.162	29%	0.288	C	S	.	.	H	α-helix	trans	-52.2	-34.8	171.5	-70.4	-176.9	177	-148.9	-4	112.4	Q396 V519 W520 Y523	R392-Q396 WeakPolarHBondContact O-CG 3.45Å; R392-Q396 PolarHBondContact O-N 2.83Å; R392-Q396 VanDerWaalsContact O-N 3.09Å; R392-V519 HydrophobicContact CB-CG1 4.36Å; R392-V519 HydrophobicContact CG-CG1 3.77Å; R392-V519 VanDerWaalsContact N-CG1 3.35Å; R392-W520 HydrophobicContact CB-CZ3 4.5Å; R392-W520 HydrophobicContact CG-CD2 4.45Å; R392-W520 HydrophobicContact CG-CE3 4.11Å; R392-W520 HydrophobicContact CG-CZ3 4.25Å; R392-W520 PolarHBondContact NH2-O 2.72Å; R392-Y523 PolarHBondContact NE-O 3.27Å; R392-Y523 PolarHBondContact NH2-O 3.08Å
393	S	89.9	Confident	82.9	Confident	65 Å²	65	59.3 Å²	59.3	46%	0.455	30%	0.301	S	S	.	.	H	α-helix	trans	-69.3	-40.1	178	-178.7	0	0	0	0	112.7	T391 Q396 Q397	T391-S393 PolarHBondContact O-N 3.04Å; T391-S393 VanDerWaalsContact O-N 3.13Å; S393-Q396 PolarHBondContact O-N 3.26Å; S393-Q397 VanDerWaalsContact O-CG 3.29Å; S393-Q397 WeakPolarHBondContact O-CG 3.39Å; S393-Q397 PolarHBondContact O-N 3.41Å; S393-Q397 PolarHBondContact O-NE2 2.86Å; S393-Q397 PolarHBondContact OG-NE2 2.92Å
394	Q	91.2	Very high	84.3	Confident	31 Å²	31	59.5 Å²	59.5	15%	0.145	30%	0.295	C	S	.	.	H	α-helix	trans	-64.2	-48.7	174.9	-72.4	166.8	-86.5	0	0	110.6	P390 T391 Q396 Q397 W398 D408 D410	P390-Q394 HydrophobicContact CB-CB 4Å; T391-Q394 PolarHBondContact O-N 3.13Å; T391-Q394 WeakPolarHBondContact OG1-CG 3.49Å; T391-Q394 PolarHBondContact OG1-N 3.01Å; T391-Q394 PolarHBondContact OG1-OE1 3.35Å; Q394-Q396 VanDerWaalsContact C-N 3.32Å; Q394-Q396 PolarHBondContact O-N 3.4Å; Q394-Q397 CarbonylContact O-C 3.49Å; Q394-Q397 WeakPolarHBondContact O-CA 3.26Å; Q394-Q397 WeakPolarHBondContact O-CB 3.36Å; Q394-Q397 PolarHBondContact O-N 2.95Å; Q394-W398 HydrophobicContact CB-CZ2 4.12Å; Q394-W398 VanDerWaalsContact O-CG 3.25Å; Q394-W398 PolarHBondContact O-N 3.45Å; Q394-W398 PolarHBondContact O-NE1 3.47Å; Q394-D408 VanDerWaalsContact CB-OD2 3.31Å; Q394-D408 WeakPolarHBondContact CB-OD2 3.2Å; Q394-D408 WeakPolarHBondContact CG-OD2 3.39Å; Q394-D408 PolarHBondContact NE2-OD1 3.47Å; Q394-D408 VanDerWaalsContact NE2-OD1 3.13Å; Q394-D408 PolarHBondContact NE2-OD2 3.09Å; Q394-D410 PolarHBondContact NE2-OD2 3.27Å
395	L	92.7	Very high	85.8	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-55.3	-44.2	175.3	-66.5	-179	0	0	0	112.8	P390 T391 Q397 W398 E399 Y512 L515 K516 V519 W520	P390-L395 HydrophobicContact CB-CD2 4.46Å; P390-L395 HydrophobicContact CG-CD2 3.63Å; P390-L395 HydrophobicContact CG-CG 3.95Å; T391-L395 PolarHBondContact O-N 3.35Å; T391-L395 VanDerWaalsContact O-N 3.11Å; L395-Q397 VanDerWaalsContact C-N 3.29Å; L395-Q397 PolarHBondContact O-N 3.02Å; L395-W398 HydrophobicContact CD2-CD2 4.43Å; L395-W398 HydrophobicContact CD2-CE3 3.84Å; L395-W398 HydrophobicContact CD2-CH2 4.34Å; L395-W398 HydrophobicContact CD2-CZ3 3.82Å; L395-W398 PolarHBondContact O-N 3.49Å; L395-E399 PolarHBondContact O-N 3.47Å; L395-Y512 HydrophobicContact CD2-CE2 3.67Å; L395-Y512 PolarHBondContact O-OH 2.83Å; L395-L515 HydrophobicContact CD2-CD2 3.94Å; L395-L515 HydrophobicContact CD2-CG 4.26Å; L395-K516 HydrophobicContact CD1-CB 4.35Å; L395-K516 HydrophobicContact CD1-CG 4.34Å; L395-V519 HydrophobicContact CD1-CB 3.63Å; L395-V519 HydrophobicContact CD1-CG1 3.68Å; L395-V519 HydrophobicContact CD1-CG2 3.94Å; L395-W520 HydrophobicContact CB-CZ3 4.44Å; L395-W520 HydrophobicContact CD1-CE3 4.33Å; L395-W520 HydrophobicContact CD1-CZ3 3.91Å
396	Q	92.4	Very high	87.2	Confident	88 Å²	88	57.3 Å²	57.3	41%	0.411	28%	0.284	S	S	.	.	H	α-helix	trans	-62.7	-33.8	174.1	-74.6	178.7	5.9	0	0	113	R392 S393 Q394 Q400	R392-Q396 WeakPolarHBondContact O-CG 3.45Å; R392-Q396 PolarHBondContact O-N 2.83Å; R392-Q396 VanDerWaalsContact O-N 3.09Å; S393-Q396 PolarHBondContact O-N 3.26Å; Q394-Q396 VanDerWaalsContact C-N 3.32Å; Q394-Q396 PolarHBondContact O-N 3.4Å; Q396-Q400 VanDerWaalsContact O-CD 3.28Å; Q396-Q400 WeakPolarHBondContact O-CG 3.46Å; Q396-Q400 PolarHBondContact O-N 2.87Å; Q396-Q400 PolarHBondContact O-NE2 3.42Å; Q396-Q400 VanDerWaalsContact O-NE2 3.17Å
397	Q	93.2	Very high	88.7	Confident	73 Å²	73	53.8 Å²	53.8	34%	0.341	29%	0.286	S	S	.	.	H	α-helix	trans	-70.7	-38.9	174.6	-74.3	174.4	80.3	0	0	111.8	S393 Q394 L395 E399 Q400 S401 K404	S393-Q397 VanDerWaalsContact O-CG 3.29Å; S393-Q397 WeakPolarHBondContact O-CG 3.39Å; S393-Q397 PolarHBondContact O-N 3.41Å; S393-Q397 PolarHBondContact O-NE2 2.86Å; S393-Q397 PolarHBondContact OG-NE2 2.92Å; Q394-Q397 CarbonylContact O-C 3.49Å; Q394-Q397 WeakPolarHBondContact O-CA 3.26Å; Q394-Q397 WeakPolarHBondContact O-CB 3.36Å; Q394-Q397 PolarHBondContact O-N 2.95Å; L395-Q397 VanDerWaalsContact C-N 3.29Å; L395-Q397 PolarHBondContact O-N 3.02Å; Q397-E399 VanDerWaalsContact C-N 3.32Å; Q397-E399 PolarHBondContact O-N 2.94Å; Q397-Q400 PolarHBondContact O-N 3.11Å; Q397-Q400 VanDerWaalsContact O-N 3.14Å; Q397-S401 PolarHBondContact O-N 3.13Å; Q397-K404 HydrophobicContact CB-CB 4.3Å; Q397-K404 HydrophobicContact CB-CD 3.92Å; Q397-K404 HydrophobicContact CG-CD 4.22Å; Q397-K404 WeakPolarHBondContact O-CB 3.19Å; Q397-K404 WeakPolarHBondContact O-CD 3.41Å
398	W	94.7	Very high	90.1	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-67.6	-31	176.6	-55.9	0	0	0	0	112.4	P390 Q394 L395 Q400 L405 D408 D410 G411 Q414 Y503 F506 Y512 L515	P390-W398 HydrophobicContact CB-CH2 3.54Å; P390-W398 HydrophobicContact CB-CZ2 3.58Å; P390-W398 HydrophobicContact CG-CH2 3.53Å; P390-W398 HydrophobicContact CG-CZ2 4.09Å; P390-W398 HydrophobicContact CG-CZ3 4.13Å; Q394-W398 HydrophobicContact CB-CZ2 4.12Å; Q394-W398 VanDerWaalsContact O-CG 3.25Å; Q394-W398 PolarHBondContact O-N 3.45Å; Q394-W398 PolarHBondContact O-NE1 3.47Å; L395-W398 HydrophobicContact CD2-CD2 4.43Å; L395-W398 HydrophobicContact CD2-CE3 3.84Å; L395-W398 HydrophobicContact CD2-CH2 4.34Å; L395-W398 HydrophobicContact CD2-CZ3 3.82Å; L395-W398 PolarHBondContact O-N 3.49Å; W398-Q400 VanDerWaalsContact C-N 3.33Å; W398-L405 HydrophobicContact CB-CB 4.31Å; W398-L405 HydrophobicContact CB-CD1 3.85Å; W398-L405 HydrophobicContact CD2-CD1 3.49Å; W398-L405 VanDerWaalsContact CD2-CD1 3.49Å; W398-L405 HydrophobicContact CE3-CD1 3.61Å; W398-L405 HydrophobicContact CG-CB 4.39Å; W398-L405 HydrophobicContact CG-CD1 3.54Å; W398-L405 HydrophobicContact CZ3-CD1 4.43Å; W398-D408 PolarHBondContact NE1-OD2 3.18Å; W398-D410 HydrophobicContact CH2-CB 3.97Å; W398-D410 HydrophobicContact CZ2-CB 3.77Å; W398-G411 VanDerWaalsContact CE2-CA 3.49Å; W398-Q414 HydrophobicContact CH2-CG 4.21Å; W398-Q414 HydrophobicContact CZ3-CB 4.25Å; W398-Q414 HydrophobicContact CZ3-CG 4.28Å; W398-Y503 WeakPolarHBondContact O-CE2 3.33Å; W398-Y503 PolarHBondContact O-OH 2.92Å; W398-F506 HydrophobicContact CE3-CE1 4.34Å; W398-F506 HydrophobicContact CE3-CZ 4.2Å; W398-F506 HydrophobicContact CZ3-CZ 4.43Å; W398-Y512 AromaticContact CE3-CE2 3.97Å; W398-Y512 HydrophobicContact CE3-CE2 3.97Å; W398-L515 HydrophobicContact CH2-CD2 4.36Å; W398-L515 HydrophobicContact CZ3-CD2 3.71Å
399	E	94.7	Very high	91.1	Very high	74 Å²	74	46.7 Å²	46.7	35%	0.346	26%	0.255	S	S	.	.	H	α-helix	trans	-71.7	-25.2	171.8	-82.5	164	-145.4	0	0	113	L395 Q397 L507 Y512 K516	L395-E399 PolarHBondContact O-N 3.47Å; Q397-E399 VanDerWaalsContact C-N 3.32Å; Q397-E399 PolarHBondContact O-N 2.94Å; E399-L507 HydrophobicContact CG-CD2 4.07Å; E399-Y512 HydrophobicContact CG-CE1 4.09Å; E399-Y512 WeakPolarHBondContact CG-OH 3.31Å; E399-Y512 VanDerWaalsContact OE1-CE1 3.23Å; E399-Y512 WeakPolarHBondContact OE1-CE1 2.96Å; E399-Y512 PolarHBondContact OE1-OH 3.33Å; E399-K516 WeakPolarHBondContact OE1-CE 3.17Å; E399-K516 IonicContact OE1-NZ 2.69Å; E399-K516 PolarHBondContact OE1-NZ 3.24Å; E399-K516 IonicContact OE2-NZ 2.89Å; E399-K516 PolarHBondContact OE2-NZ 2.89Å
400	Q	93.6	Very high	91.8	Very high	120 Å²	120	43.8 Å²	43.8	56%	0.561	24%	0.237	S	C	*	.	H	α-helix	trans	-83.1	-36	-175.6	-76.3	164.6	28.9	0	0	114.2	Q396 Q397 W398 K404	Q396-Q400 VanDerWaalsContact O-CD 3.28Å; Q396-Q400 WeakPolarHBondContact O-CG 3.46Å; Q396-Q400 PolarHBondContact O-N 2.87Å; Q396-Q400 PolarHBondContact O-NE2 3.42Å; Q396-Q400 VanDerWaalsContact O-NE2 3.17Å; Q397-Q400 PolarHBondContact O-N 3.11Å; Q397-Q400 VanDerWaalsContact O-N 3.14Å; W398-Q400 VanDerWaalsContact C-N 3.33Å; Q400-K404 HydrophobicContact CB-CD 4.32Å
401	S	95	Very high	92.1	Very high	33 Å²	33	43.6 Å²	43.6	23%	0.231	24%	0.236	C	C	.	.			trans	-159.7	144.4	174.7	-176.3	0	0	0	0	112.4	Q397 D403 K404 L405	Q397-S401 PolarHBondContact O-N 3.13Å; S401-D403 PolarHBondContact O-N 3.05Å; S401-D403 PolarHBondContact OG-N 3.12Å; S401-D403 VanDerWaalsContact OG-N 3.14Å; S401-D403 PolarHBondContact OG-OD2 3.15Å; S401-D403 VanDerWaalsContact OG-OD2 3.12Å; S401-K404 WeakPolarHBondContact O-CB 3.19Å; S401-K404 PolarHBondContact O-N 3.25Å; S401-L405 PolarHBondContact O-N 3.14Å; S401-L405 VanDerWaalsContact O-N 3.15Å
402	F	96.9	Very high	92.4	Very high	1 Å²	1	40.9 Å²	40.9	0%	0.004	22%	0.218	C	C	.	.	H	α-helix	trans	-56.5	-36.1	168.9	-172.3	-129.5	0	0	0	112.1	K404 L405 L406 F415 Q495 M498 N499 Y503	F402-K404 PolarHBondContact O-N 3.02Å; F402-L405 HydrophobicContact CD2-CD2 4.04Å; F402-L405 HydrophobicContact CE2-CD2 4.22Å; F402-L405 WeakPolarHBondContact O-CB 3.48Å; F402-L405 PolarHBondContact O-N 3.29Å; F402-L405 VanDerWaalsContact O-N 3.14Å; F402-L406 HydrophobicContact CD1-CD1 3.82Å; F402-L406 HydrophobicContact CD1-CG 4.31Å; F402-L406 HydrophobicContact CD2-CG 4.34Å; F402-L406 HydrophobicContact CE1-CD1 3.51Å; F402-L406 HydrophobicContact CE1-CD2 4.43Å; F402-L406 HydrophobicContact CE1-CG 4.07Å; F402-L406 HydrophobicContact CE2-CD1 4.4Å; F402-L406 HydrophobicContact CE2-CD2 4.06Å; F402-L406 HydrophobicContact CE2-CG 4.05Å; F402-L406 HydrophobicContact CG-CD1 4.43Å; F402-L406 HydrophobicContact CG-CG 4.47Å; F402-L406 HydrophobicContact CZ-CD1 3.81Å; F402-L406 HydrophobicContact CZ-CD2 3.86Å; F402-L406 HydrophobicContact CZ-CG 3.92Å; F402-L406 WeakPolarHBondContact O-CG 3.24Å; F402-L406 PolarHBondContact O-N 2.86Å; F402-F415 HydrophobicContact CE2-CD1 4.1Å; F402-F415 AromaticContact CE2-CE1 3.47Å; F402-F415 HydrophobicContact CE2-CE1 3.47Å; F402-F415 VanDerWaalsContact CE2-CE1 3.47Å; F402-F415 HydrophobicContact CE2-CE2 4.41Å; F402-F415 AromaticContact CE2-CZ 3.65Å; F402-F415 HydrophobicContact CE2-CZ 3.65Å; F402-F415 AromaticContact CZ-CE1 3.75Å; F402-F415 HydrophobicContact CZ-CE1 3.75Å; F402-F415 HydrophobicContact CZ-CZ 4.1Å; F402-Q495 HydrophobicContact CD1-CG 4.2Å; F402-Q495 HydrophobicContact CE1-CG 3.91Å; F402-Q495 WeakPolarHBondContact CE1-O 3.48Å; F402-M498 HydrophobicContact CE1-CB 3.86Å; F402-M498 HydrophobicContact CE1-CE 4.5Å; F402-M498 HydrophobicContact CE2-CB 4.42Å; F402-M498 HydrophobicContact CZ-CB 3.49Å; F402-M498 VanDerWaalsContact CZ-CB 3.49Å; F402-M498 HydrophobicContact CZ-CE 4.14Å; F402-M498 HydrophobicContact CZ-SD 4.45Å; F402-N499 HydrophobicContact CB-CB 4.22Å; F402-N499 HydrophobicContact CD1-CB 3.47Å; F402-N499 VanDerWaalsContact CD1-CB 3.47Å; F402-N499 HydrophobicContact CE1-CB 3.99Å; F402-N499 HydrophobicContact CG-CB 3.98Å; F402-Y503 HydrophobicContact CB-CD1 3.77Å; F402-Y503 HydrophobicContact CB-CD2 4.31Å; F402-Y503 HydrophobicContact CB-CE1 3.77Å; F402-Y503 HydrophobicContact CB-CE2 4.28Å; F402-Y503 HydrophobicContact CB-CG 4.05Å; F402-Y503 HydrophobicContact CD2-CD1 4.09Å; F402-Y503 AromaticContact CD2-CD2 3.55Å; F402-Y503 HydrophobicContact CD2-CD2 3.55Å; F402-Y503 HydrophobicContact CD2-CE2 4.17Å; F402-Y503 AromaticContact CD2-CG 3.49Å; F402-Y503 HydrophobicContact CD2-CG 3.49Å; F402-Y503 VanDerWaalsContact CD2-CG 3.49Å; F402-Y503 HydrophobicContact CE2-CD2 4.33Å; F402-Y503 HydrophobicContact CE2-CG 4.24Å; F402-Y503 HydrophobicContact CG-CD1 4.17Å; F402-Y503 HydrophobicContact CG-CD2 4.34Å; F402-Y503 HydrophobicContact CG-CG 4.03Å; F402-Y503 PolarHBondContact N-OH 3.05Å
403	D	95.5	Very high	92.5	Very high	83 Å²	83	39.2 Å²	39.2	44%	0.444	21%	0.213	S	C	.	.	H	α-helix	trans	-69.4	-22.4	179.4	-46	-58.9	0	0	0	112.1	S401 A407 Q495	S401-D403 PolarHBondContact O-N 3.05Å; S401-D403 PolarHBondContact OG-N 3.12Å; S401-D403 VanDerWaalsContact OG-N 3.14Å; S401-D403 PolarHBondContact OG-OD2 3.15Å; S401-D403 VanDerWaalsContact OG-OD2 3.12Å; D403-A407 VanDerWaalsContact O-CB 3.24Å; D403-A407 WeakPolarHBondContact O-CB 3.43Å; D403-A407 PolarHBondContact O-N 2.92Å; D403-A407 VanDerWaalsContact O-N 3.14Å; D403-Q495 PolarHBondContact OD1-NE2 3.29Å
404	K	94.3	Very high	92.5	Very high	81 Å²	81	36.1 Å²	36.1	35%	0.352	19%	0.192	S	C	.	.	H	α-helix	trans	-80.2	-36.1	170.9	-68.3	-173.1	179.4	-167.6	0	111.9	Q397 Q400 S401 F402 L406 A407 D408	Q397-K404 HydrophobicContact CB-CB 4.3Å; Q397-K404 HydrophobicContact CB-CD 3.92Å; Q397-K404 HydrophobicContact CG-CD 4.22Å; Q397-K404 WeakPolarHBondContact O-CB 3.19Å; Q397-K404 WeakPolarHBondContact O-CD 3.41Å; Q400-K404 HydrophobicContact CB-CD 4.32Å; S401-K404 WeakPolarHBondContact O-CB 3.19Å; S401-K404 PolarHBondContact O-N 3.25Å; F402-K404 PolarHBondContact O-N 3.02Å; K404-L406 VanDerWaalsContact C-N 3.35Å; K404-A407 PolarHBondContact O-N 3.03Å; K404-D408 PolarHBondContact O-N 3.29Å; K404-D408 VanDerWaalsContact O-N 3.15Å
405	L	95.2	Very high	92.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-62.7	-41.8	171.2	179	69.7	0	0	0	111.3	W398 S401 F402 D408 G411 L412 F415 Y503 F506	W398-L405 HydrophobicContact CB-CB 4.31Å; W398-L405 HydrophobicContact CB-CD1 3.85Å; W398-L405 HydrophobicContact CD2-CD1 3.49Å; W398-L405 VanDerWaalsContact CD2-CD1 3.49Å; W398-L405 HydrophobicContact CE3-CD1 3.61Å; W398-L405 HydrophobicContact CG-CB 4.39Å; W398-L405 HydrophobicContact CG-CD1 3.54Å; W398-L405 HydrophobicContact CZ3-CD1 4.43Å; S401-L405 PolarHBondContact O-N 3.14Å; S401-L405 VanDerWaalsContact O-N 3.15Å; F402-L405 HydrophobicContact CD2-CD2 4.04Å; F402-L405 HydrophobicContact CE2-CD2 4.22Å; F402-L405 WeakPolarHBondContact O-CB 3.48Å; F402-L405 PolarHBondContact O-N 3.29Å; F402-L405 VanDerWaalsContact O-N 3.14Å; L405-D408 PolarHBondContact O-N 3.35Å; L405-G411 VanDerWaalsContact CD1-CA 3.49Å; L405-L412 PolarHBondContact O-N 3.24Å; L405-F415 HydrophobicContact CD1-CB 4.44Å; L405-F415 HydrophobicContact CD2-CB 3.99Å; L405-F415 HydrophobicContact CD2-CD1 4.37Å; L405-F415 HydrophobicContact CD2-CD2 3.92Å; L405-F415 HydrophobicContact CD2-CG 3.83Å; L405-F415 HydrophobicContact CG-CB 4.32Å; L405-Y503 HydrophobicContact CD2-CD2 3.65Å; L405-Y503 HydrophobicContact CD2-CE2 3.93Å; L405-F506 HydrophobicContact CD1-CE1 3.82Å; L405-F506 HydrophobicContact CD1-CZ 4.23Å; L405-F506 HydrophobicContact CD2-CD1 3.94Å; L405-F506 HydrophobicContact CD2-CE1 3.8Å
406	L	93.9	Very high	92.7	Very high	8 Å²	8	35.8 Å²	35.8	4%	0.042	19%	0.19	C	C	.	.	H	α-helix	trans	-73.7	-22.6	176.8	-68.2	-178.8	0	0	0	113.9	F402 K404 L412 I428 W431 Q495	F402-L406 HydrophobicContact CD1-CD1 3.82Å; F402-L406 HydrophobicContact CD1-CG 4.31Å; F402-L406 HydrophobicContact CD2-CG 4.34Å; F402-L406 HydrophobicContact CE1-CD1 3.51Å; F402-L406 HydrophobicContact CE1-CD2 4.43Å; F402-L406 HydrophobicContact CE1-CG 4.07Å; F402-L406 HydrophobicContact CE2-CD1 4.4Å; F402-L406 HydrophobicContact CE2-CD2 4.06Å; F402-L406 HydrophobicContact CE2-CG 4.05Å; F402-L406 HydrophobicContact CG-CD1 4.43Å; F402-L406 HydrophobicContact CG-CG 4.47Å; F402-L406 HydrophobicContact CZ-CD1 3.81Å; F402-L406 HydrophobicContact CZ-CD2 3.86Å; F402-L406 HydrophobicContact CZ-CG 3.92Å; F402-L406 WeakPolarHBondContact O-CG 3.24Å; F402-L406 PolarHBondContact O-N 2.86Å; K404-L406 VanDerWaalsContact C-N 3.35Å; L406-L412 HydrophobicContact CB-CD2 4.44Å; L406-L412 HydrophobicContact CD2-CD2 3.68Å; L406-L412 WeakPolarHBondContact O-CD1 3.43Å; L406-I428 HydrophobicContact CD2-CD1 3.63Å; L406-W431 HydrophobicContact CB-CH2 4Å; L406-W431 HydrophobicContact CB-CZ2 4.34Å; L406-W431 HydrophobicContact CB-CZ3 4.46Å; L406-W431 HydrophobicContact CD1-CD2 4.44Å; L406-W431 HydrophobicContact CD1-CH2 4.24Å; L406-W431 HydrophobicContact CD1-CZ2 3.83Å; L406-W431 HydrophobicContact CD2-CE3 4.4Å; L406-W431 HydrophobicContact CD2-CZ3 4.34Å; L406-Q495 HydrophobicContact CD1-CG 4Å
407	A	90.7	Very high	92.6	Very high	77 Å²	77	34.3 Å²	34.3	64%	0.636	18%	0.183	S	C	*	.	H	α-helix	trans	-86.7	-13.4	174.8	0	0	0	0	0	113.3	D403 K404	D403-A407 VanDerWaalsContact O-CB 3.24Å; D403-A407 WeakPolarHBondContact O-CB 3.43Å; D403-A407 PolarHBondContact O-N 2.92Å; D403-A407 VanDerWaalsContact O-N 3.14Å; K404-A407 PolarHBondContact O-N 3.03Å
408	D	89.8	Confident	92.7	Very high	26 Å²	26	31.2 Å²	31.2	14%	0.139	17%	0.169	C	C	.	.			trans	-93.6	135.7	177.6	-164.2	-15.9	0	0	0	111.4	Q394 W398 K404 L405 D410 G411 L412	Q394-D408 VanDerWaalsContact CB-OD2 3.31Å; Q394-D408 WeakPolarHBondContact CB-OD2 3.2Å; Q394-D408 WeakPolarHBondContact CG-OD2 3.39Å; Q394-D408 PolarHBondContact NE2-OD1 3.47Å; Q394-D408 VanDerWaalsContact NE2-OD1 3.13Å; Q394-D408 PolarHBondContact NE2-OD2 3.09Å; W398-D408 PolarHBondContact NE1-OD2 3.18Å; K404-D408 PolarHBondContact O-N 3.29Å; K404-D408 VanDerWaalsContact O-N 3.15Å; L405-D408 PolarHBondContact O-N 3.35Å; D408-D410 PolarHBondContact OD1-N 3.19Å; D408-G411 PolarHBondContact O-N 3.29Å; D408-L412 WeakPolarHBondContact O-CG 3.16Å; D408-L412 PolarHBondContact O-N 3.17Å
409	T	87.2	Confident	92.7	Very high	26 Å²	26	31.2 Å²	31.2	16%	0.16	17%	0.169	C	C	.	.	H	α-helix	trans	-59.6	-55	176.3	-73	0	0	0	0	110.9	H347 L351 G411 S413	H347-T409 HydrophobicContact CB-CG2 4.16Å; L351-T409 HydrophobicContact CD1-CG2 3.67Å; L351-T409 HydrophobicContact CD2-CG2 4.31Å; L351-T409 WeakPolarHBondContact CD2-O 3.42Å; L351-T409 HydrophobicContact CG-CG2 3.55Å; T409-G411 VanDerWaalsContact C-N 3.26Å; T409-G411 PolarHBondContact O-N 3.4Å; T409-S413 PolarHBondContact O-N 3.4Å
410	D	88.2	Confident	92.7	Very high	12 Å²	12	33.1 Å²	33.1	6%	0.064	17%	0.173	C	C	.	.	H	α-helix	trans	-67.6	-33.7	-179.9	-62.8	-50.6	0	0	0	110.9	N388 P390 Q394 W398 D408 S413 Q414	N388-D410 WeakPolarHBondContact CB-OD1 3.32Å; P390-D410 HydrophobicContact CB-CB 4.23Å; Q394-D410 PolarHBondContact NE2-OD2 3.27Å; W398-D410 HydrophobicContact CH2-CB 3.97Å; W398-D410 HydrophobicContact CZ2-CB 3.77Å; D408-D410 PolarHBondContact OD1-N 3.19Å; D410-S413 PolarHBondContact O-N 3.02Å; D410-Q414 WeakPolarHBondContact O-CG 3.4Å; D410-Q414 PolarHBondContact O-N 3.39Å
411	G	90.9	Very high	92.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-61.8	-50.4	179.2	0	0	0	0	0	112.7	W398 L405 D408 T409 S413 Q414 F415	W398-G411 VanDerWaalsContact CE2-CA 3.49Å; L405-G411 VanDerWaalsContact CD1-CA 3.49Å; D408-G411 PolarHBondContact O-N 3.29Å; T409-G411 VanDerWaalsContact C-N 3.26Å; T409-G411 PolarHBondContact O-N 3.4Å; G411-S413 VanDerWaalsContact C-N 3.31Å; G411-S413 PolarHBondContact O-N 2.87Å; G411-Q414 PolarHBondContact O-N 2.96Å; G411-F415 WeakPolarHBondContact O-CB 3.11Å; G411-F415 PolarHBondContact O-N 3.08Å
412	L	92.3	Very high	92.6	Very high	18 Å²	18	30.4 Å²	30.4	9%	0.094	16%	0.16	C	C	.	.	H	α-helix	trans	-56.1	-43.8	172.9	-77.5	171.5	0	0	0	112.1	L405 L406 D408 H416 I428 W431 L432	L405-L412 PolarHBondContact O-N 3.24Å; L406-L412 HydrophobicContact CB-CD2 4.44Å; L406-L412 HydrophobicContact CD2-CD2 3.68Å; L406-L412 WeakPolarHBondContact O-CD1 3.43Å; D408-L412 WeakPolarHBondContact O-CG 3.16Å; D408-L412 PolarHBondContact O-N 3.17Å; L412-H416 WeakPolarHBondContact O-CB 3.31Å; L412-H416 PolarHBondContact O-N 3.43Å; L412-I428 HydrophobicContact CD2-CD1 4Å; L412-W431 HydrophobicContact CD2-CZ3 4.25Å; L412-L432 HydrophobicContact CD1-CD2 4.3Å; L412-L432 HydrophobicContact CD2-CD2 4.37Å
413	S	90.2	Very high	92.4	Very high	8 Å²	8	37.3 Å²	37.3	6%	0.056	19%	0.187	C	C	.	.	H	α-helix	trans	-63.6	-52	-179	-171.4	0	0	0	0	112.3	N385 N388 T409 D410 G411 F415 H416 H417	N385-S413 PolarHBondContact ND2-OG 2.98Å; N385-S413 VanDerWaalsContact ND2-OG 3.15Å; N388-S413 WeakPolarHBondContact ND2-CB 3.35Å; N388-S413 PolarHBondContact ND2-OG 2.9Å; T409-S413 PolarHBondContact O-N 3.4Å; D410-S413 PolarHBondContact O-N 3.02Å; G411-S413 VanDerWaalsContact C-N 3.31Å; G411-S413 PolarHBondContact O-N 2.87Å; S413-F415 VanDerWaalsContact C-N 3.35Å; S413-F415 PolarHBondContact O-N 3.25Å; S413-H416 PolarHBondContact O-N 2.98Å; S413-H417 PolarHBondContact O-N 3.15Å; S413-H417 VanDerWaalsContact O-N 3.08Å
414	Q	90.4	Very high	92.4	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-67.7	-36.7	-178.9	-58.1	-65.6	-3.1	0	0	111	N385 N388 W398 D410 G411 H417 F418 F511 L515	N385-Q414 PolarHBondContact O-NE2 3.06Å; N388-Q414 PolarHBondContact O-NE2 3.05Å; W398-Q414 HydrophobicContact CH2-CG 4.21Å; W398-Q414 HydrophobicContact CZ3-CB 4.25Å; W398-Q414 HydrophobicContact CZ3-CG 4.28Å; D410-Q414 WeakPolarHBondContact O-CG 3.4Å; D410-Q414 PolarHBondContact O-N 3.39Å; G411-Q414 PolarHBondContact O-N 2.96Å; Q414-H417 PolarHBondContact O-N 3.2Å; Q414-F418 WeakPolarHBondContact O-CB 3.37Å; Q414-F418 PolarHBondContact O-N 3.26Å; Q414-F511 HydrophobicContact CB-CE1 4.07Å; Q414-F511 HydrophobicContact CB-CZ 4.38Å; Q414-F511 VanDerWaalsContact O-CE1 3.29Å; Q414-F511 WeakPolarHBondContact O-CE1 3.42Å; Q414-L515 HydrophobicContact CB-CD2 4.33Å; Q414-L515 HydrophobicContact CG-CD2 4.01Å
415	F	94.7	Very high	92.4	Very high	1 Å²	1	31.5 Å²	31.5	0%	0.004	16%	0.16	C	C	.	.	H	α-helix	trans	-69.4	-39.9	176.5	-174.4	-119	0	0	0	113	F402 L405 G411 S413 H417 F418 L419 M498 F506	F402-F415 HydrophobicContact CE2-CD1 4.1Å; F402-F415 AromaticContact CE2-CE1 3.47Å; F402-F415 HydrophobicContact CE2-CE1 3.47Å; F402-F415 VanDerWaalsContact CE2-CE1 3.47Å; F402-F415 HydrophobicContact CE2-CE2 4.41Å; F402-F415 AromaticContact CE2-CZ 3.65Å; F402-F415 HydrophobicContact CE2-CZ 3.65Å; F402-F415 AromaticContact CZ-CE1 3.75Å; F402-F415 HydrophobicContact CZ-CE1 3.75Å; F402-F415 HydrophobicContact CZ-CZ 4.1Å; L405-F415 HydrophobicContact CD1-CB 4.44Å; L405-F415 HydrophobicContact CD2-CB 3.99Å; L405-F415 HydrophobicContact CD2-CD1 4.37Å; L405-F415 HydrophobicContact CD2-CD2 3.92Å; L405-F415 HydrophobicContact CD2-CG 3.83Å; L405-F415 HydrophobicContact CG-CB 4.32Å; G411-F415 WeakPolarHBondContact O-CB 3.11Å; G411-F415 PolarHBondContact O-N 3.08Å; S413-F415 VanDerWaalsContact C-N 3.35Å; S413-F415 PolarHBondContact O-N 3.25Å; F415-H417 VanDerWaalsContact C-N 3.34Å; F415-H417 PolarHBondContact O-N 2.88Å; F415-F418 HydrophobicContact CD2-CD1 4.25Å; F415-F418 HydrophobicContact CE2-CD1 4.21Å; F415-F418 PolarHBondContact O-N 3.14Å; F415-L419 HydrophobicContact CD1-CD1 3.85Å; F415-L419 HydrophobicContact CD1-CG 4.43Å; F415-L419 HydrophobicContact CE1-CD1 3.48Å; F415-L419 VanDerWaalsContact CE1-CD1 3.48Å; F415-L419 HydrophobicContact CE1-CD2 4.48Å; F415-L419 HydrophobicContact CE1-CG 4.09Å; F415-L419 HydrophobicContact CE2-CD2 4.39Å; F415-L419 HydrophobicContact CE2-CG 4.24Å; F415-L419 HydrophobicContact CZ-CD1 3.85Å; F415-L419 HydrophobicContact CZ-CD2 4.02Å; F415-L419 HydrophobicContact CZ-CG 3.98Å; F415-L419 WeakPolarHBondContact O-CG 3.17Å; F415-L419 PolarHBondContact O-N 3.11Å; F415-M498 HydrophobicContact CE1-SD 4.05Å; F415-M498 HydrophobicContact CZ-CB 4.37Å; F415-F506 HydrophobicContact CD2-CB 3.91Å; F415-F506 HydrophobicContact CD2-CD1 4.07Å; F415-F506 AromaticContact CD2-CD2 3.98Å; F415-F506 HydrophobicContact CD2-CD2 3.98Å; F415-F506 HydrophobicContact CD2-CE2 4.49Å; F415-F506 AromaticContact CD2-CG 3.73Å; F415-F506 HydrophobicContact CD2-CG 3.73Å; F415-F506 HydrophobicContact CE2-CB 3.92Å; F415-F506 HydrophobicContact CE2-CG 4.26Å
416	H	93.7	Very high	92.4	Very high	22 Å²	22	32.1 Å²	32.1	10%	0.102	16%	0.163	C	C	.	.	H	α-helix	trans	-61.3	-43	173.8	-178.2	-64.3	0	0	0	111.5	F355 L412 S413 L419 R420 I428	F355-H416 HydrophobicContact CE1-CB 4.13Å; F355-H416 AromaticContact CE1-CD2 3.67Å; F355-H416 AromaticContact CE1-CG 3.85Å; L412-H416 WeakPolarHBondContact O-CB 3.31Å; L412-H416 PolarHBondContact O-N 3.43Å; S413-H416 PolarHBondContact O-N 2.98Å; H416-L419 PolarHBondContact O-N 2.99Å; H416-R420 WeakPolarHBondContact O-CB 3.24Å; H416-R420 PolarHBondContact O-N 2.93Å; H416-I428 HydrophobicContact CB-CG2 4.21Å
417	H	90.2	Very high	92.5	Very high	58 Å²	58	32.2 Å²	32.2	27%	0.269	16%	0.164	S	C	.	.	H	α-helix	trans	-64.8	-41.5	177	-172.1	76.8	0	0	0	112.6	V383 S413 Q414 F415 R420 S421 F511	V383-H417 PolarHBondContact N-NE2 3.01Å; V383-H417 PolarHBondContact O-CD2 3.48Å; V383-H417 VanDerWaalsContact O-CD2 3.27Å; V383-H417 PolarHBondContact O-NE2 2.82Å; S413-H417 PolarHBondContact O-N 3.15Å; S413-H417 VanDerWaalsContact O-N 3.08Å; Q414-H417 PolarHBondContact O-N 3.2Å; F415-H417 VanDerWaalsContact C-N 3.34Å; F415-H417 PolarHBondContact O-N 2.88Å; H417-R420 PolarHBondContact O-N 3.5Å; H417-S421 PolarHBondContact O-N 3.41Å; H417-S421 VanDerWaalsContact O-N 3.12Å; H417-F511 HydrophobicContact CB-CZ 4.42Å; H417-F511 AromaticContact CD2-CE2 3.67Å; H417-F511 AromaticContact CD2-CZ 3.73Å
418	F	94.9	Very high	92.7	Very high	8 Å²	8	28.6 Å²	28.6	4%	0.035	13%	0.133	C	C	.	.	H	α-helix	trans	-57.6	-50.8	170.9	170	-95.6	0	0	0	111.9	Q414 F415 R420 S421 E422 S502 R505 F506 F511	Q414-F418 WeakPolarHBondContact O-CB 3.37Å; Q414-F418 PolarHBondContact O-N 3.26Å; F415-F418 HydrophobicContact CD2-CD1 4.25Å; F415-F418 HydrophobicContact CE2-CD1 4.21Å; F415-F418 PolarHBondContact O-N 3.14Å; F418-R420 VanDerWaalsContact C-N 3.26Å; F418-R420 PolarHBondContact O-N 3.01Å; F418-S421 PolarHBondContact O-N 3.28Å; F418-S421 PolarHBondContact O-OG 3.31Å; F418-E422 HydrophobicContact CE1-CG 4.3Å; F418-E422 VanDerWaalsContact CE1-OE2 3.25Å; F418-E422 WeakPolarHBondContact CE1-OE2 3.31Å; F418-E422 HydrophobicContact CE2-CG 4.29Å; F418-E422 HydrophobicContact CZ-CG 4Å; F418-E422 VanDerWaalsContact CZ-OE1 3.26Å; F418-E422 WeakPolarHBondContact CZ-OE1 3.38Å; F418-E422 WeakPolarHBondContact CZ-OE2 3.49Å; F418-E422 PolarHBondContact O-N 2.96Å; F418-S502 VanDerWaalsContact CE1-O 3.31Å; F418-S502 WeakPolarHBondContact CE1-O 3.24Å; F418-R505 HydrophobicContact CE1-CB 4.43Å; F418-R505 HydrophobicContact CZ-CB 3.85Å; F418-F506 HydrophobicContact CB-CD2 3.74Å; F418-F506 HydrophobicContact CB-CE2 4.23Å; F418-F506 HydrophobicContact CD1-CB 3.77Å; F418-F506 AromaticContact CD1-CD2 3.99Å; F418-F506 HydrophobicContact CD1-CD2 3.99Å; F418-F506 HydrophobicContact CD1-CG 4.34Å; F418-F506 HydrophobicContact CD2-CD2 4.17Å; F418-F506 HydrophobicContact CE1-CB 3.76Å; F418-F506 HydrophobicContact CG-CB 4.21Å; F418-F506 AromaticContact CG-CD2 3.68Å; F418-F506 HydrophobicContact CG-CD2 3.68Å; F418-F506 HydrophobicContact CG-CG 4.43Å; F418-F506 HydrophobicContact CZ-CB 4.18Å; F418-F511 HydrophobicContact CB-CD1 4.18Å; F418-F511 HydrophobicContact CB-CE1 4.15Å
419	L	95.6	Very high	93	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-58.2	-37.3	178.8	-75.1	172.5	0	0	0	113	F415 H416 E422 Y423 S424 I428 M498	F415-L419 HydrophobicContact CD1-CD1 3.85Å; F415-L419 HydrophobicContact CD1-CG 4.43Å; F415-L419 HydrophobicContact CE1-CD1 3.48Å; F415-L419 VanDerWaalsContact CE1-CD1 3.48Å; F415-L419 HydrophobicContact CE1-CD2 4.48Å; F415-L419 HydrophobicContact CE1-CG 4.09Å; F415-L419 HydrophobicContact CE2-CD2 4.39Å; F415-L419 HydrophobicContact CE2-CG 4.24Å; F415-L419 HydrophobicContact CZ-CD1 3.85Å; F415-L419 HydrophobicContact CZ-CD2 4.02Å; F415-L419 HydrophobicContact CZ-CG 3.98Å; F415-L419 WeakPolarHBondContact O-CG 3.17Å; F415-L419 PolarHBondContact O-N 3.11Å; H416-L419 PolarHBondContact O-N 2.99Å; L419-E422 CarbonylContact O-C 3.54Å; L419-E422 PolarHBondContact O-N 3.42Å; L419-E422 VanDerWaalsContact O-N 3.16Å; L419-Y423 PolarHBondContact O-N 3.4Å; L419-Y423 VanDerWaalsContact O-N 3.13Å; L419-S424 VanDerWaalsContact CD2-OG 3.24Å; L419-S424 WeakPolarHBondContact CD2-OG 3.48Å; L419-S424 PolarHBondContact O-N 3.2Å; L419-S424 PolarHBondContact O-OG 3.44Å; L419-I428 HydrophobicContact CD1-CB 3.55Å; L419-I428 HydrophobicContact CD1-CG1 4.46Å; L419-I428 HydrophobicContact CD1-CG2 3.44Å; L419-I428 VanDerWaalsContact CD1-CG2 3.44Å; L419-M498 HydrophobicContact CD1-SD 4.04Å
420	R	92.8	Very high	93.4	Very high	114 Å²	114	26.3 Å²	26.3	43%	0.43	12%	0.12	S	C	.	.	H	α-helix	trans	-65.3	-37.1	175.4	-178.7	169.7	-169.5	90.1	-24.7	112.8	H416 H417 F418 E422 Y423 E425	H416-R420 WeakPolarHBondContact O-CB 3.24Å; H416-R420 PolarHBondContact O-N 2.93Å; H417-R420 PolarHBondContact O-N 3.5Å; F418-R420 VanDerWaalsContact C-N 3.26Å; F418-R420 PolarHBondContact O-N 3.01Å; R420-E422 PolarHBondContact O-N 3.38Å; R420-Y423 PolarHBondContact O-N 2.82Å; R420-E425 HydrophobicContact CB-CB 4.25Å; R420-E425 WeakPolarHBondContact CG-OE1 3.3Å; R420-E425 IonicContact CZ-OE1 3.89Å; R420-E425 IonicContact NH1-OE1 3.51Å; R420-E425 PolarHBondContact NH1-OE1 3.36Å
421	S	92.7	Very high	93.9	Very high	38 Å²	38	26.6 Å²	26.6	27%	0.266	12%	0.12	S	C	.	.	H	α-helix	trans	-67.6	-24	172.4	75.6	0	0	0	0	113.3	H417 F418	H417-S421 PolarHBondContact O-N 3.41Å; H417-S421 VanDerWaalsContact O-N 3.12Å; F418-S421 PolarHBondContact O-N 3.28Å; F418-S421 PolarHBondContact O-OG 3.31Å
422	E	94.1	Very high	94	Very high	58 Å²	58	28.2 Å²	28.2	27%	0.271	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	4	175.2	-62	-164.1	133.5	0	0	114	F418 L419 R420 R505	F418-E422 HydrophobicContact CE1-CG 4.3Å; F418-E422 VanDerWaalsContact CE1-OE2 3.25Å; F418-E422 WeakPolarHBondContact CE1-OE2 3.31Å; F418-E422 HydrophobicContact CE2-CG 4.29Å; F418-E422 HydrophobicContact CZ-CG 4Å; F418-E422 VanDerWaalsContact CZ-OE1 3.26Å; F418-E422 WeakPolarHBondContact CZ-OE1 3.38Å; F418-E422 WeakPolarHBondContact CZ-OE2 3.49Å; F418-E422 PolarHBondContact O-N 2.96Å; L419-E422 CarbonylContact O-C 3.54Å; L419-E422 PolarHBondContact O-N 3.42Å; L419-E422 VanDerWaalsContact O-N 3.16Å; R420-E422 PolarHBondContact O-N 3.38Å; E422-R505 IonicContact OE1-CZ 3.73Å; E422-R505 IonicContact OE1-NH1 2.7Å; E422-R505 PolarHBondContact OE1-NH1 2.96Å; E422-R505 IonicContact OE2-CZ 3.43Å; E422-R505 IonicContact OE2-NH1 2.66Å; E422-R505 PolarHBondContact OE2-NH1 3.3Å; E422-R505 IonicContact OE2-NH2 3.84Å
423	Y	92.6	Very high	94.1	Very high	145 Å²	145	28.7 Å²	28.7	57%	0.569	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	50.8	-174.1	-50.5	-79.2	0	0	0	113	L419 R420	L419-Y423 PolarHBondContact O-N 3.4Å; L419-Y423 VanDerWaalsContact O-N 3.13Å; R420-Y423 PolarHBondContact O-N 2.82Å
424	S	95.4	Very high	94.3	Very high	13 Å²	13	28.4 Å²	28.4	9%	0.091	13%	0.129	C	C	.	.			trans	-139.8	14.8	-176	61.6	0	0	0	0	113.7	L419 E426 N427	L419-S424 VanDerWaalsContact CD2-OG 3.24Å; L419-S424 WeakPolarHBondContact CD2-OG 3.48Å; L419-S424 PolarHBondContact O-N 3.2Å; L419-S424 PolarHBondContact O-OG 3.44Å; S424-E426 WeakPolarHBondContact CA-OE2 3.37Å; S424-E426 PolarHBondContact O-N 2.66Å; S424-N427 PolarHBondContact O-N 2.98Å; S424-N427 PolarHBondContact O-ND2 3.15Å
425	E	94.1	Very high	94.5	Very high	29 Å²	29	29.6 Å²	29.6	14%	0.136	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-22.5	-178.3	63.5	-96.8	-124.4	0	0	113.8	R420 N427 I428 E429	R420-E425 HydrophobicContact CB-CB 4.25Å; R420-E425 WeakPolarHBondContact CG-OE1 3.3Å; R420-E425 IonicContact CZ-OE1 3.89Å; R420-E425 IonicContact NH1-OE1 3.51Å; R420-E425 PolarHBondContact NH1-OE1 3.36Å; E425-N427 PolarHBondContact O-N 3.28Å; E425-I428 VanDerWaalsContact O-CG2 3.26Å; E425-I428 WeakPolarHBondContact O-CG2 3.17Å; E425-I428 PolarHBondContact O-N 2.88Å; E425-E429 WeakPolarHBondContact O-CG 3.43Å; E425-E429 PolarHBondContact O-N 2.83Å
426	E	95.4	Very high	94.2	Very high	14 Å²	14	30.1 Å²	30.1	7%	0.065	14%	0.138	C	C	.	.	H	α-helix	trans	-57.9	-25.1	-178.4	81.1	-80.4	-173.6	0	0	112.8	R193 S424 E429 F430 H463 V465	R193-E426 IonicContact CZ-OE1 3.94Å; R193-E426 IonicContact NH1-OE1 2.86Å; R193-E426 PolarHBondContact NH1-OE1 3.06Å; S424-E426 WeakPolarHBondContact CA-OE2 3.37Å; S424-E426 PolarHBondContact O-N 2.66Å; E426-E429 WeakPolarHBondContact CA-OE2 3.4Å; E426-F430 WeakPolarHBondContact O-CB 3.41Å; E426-F430 PolarHBondContact O-N 3.48Å; E426-F430 VanDerWaalsContact O-N 3.09Å; E426-H463 HydrophobicContact CB-CB 3.92Å; E426-V465 HydrophobicContact CB-CG1 4.43Å; E426-V465 HydrophobicContact CG-CG1 3.94Å; E426-V465 WeakPolarHBondContact O-CG1 3.43Å
427	N	96.8	Very high	94.2	Very high	9 Å²	9	29.1 Å²	29.1	5%	0.048	13%	0.133	C	C	.	.	H	α-helix	trans	-76.9	-35.7	-177.7	-59.1	-81.3	0	0	0	112.4	S424 E425 W431 I494 M498	S424-N427 PolarHBondContact O-N 2.98Å; S424-N427 PolarHBondContact O-ND2 3.15Å; E425-N427 PolarHBondContact O-N 3.28Å; N427-W431 WeakPolarHBondContact O-CB 3.47Å; N427-W431 PolarHBondContact O-N 3.48Å; N427-I494 HydrophobicContact CB-CG2 3.74Å; N427-I494 VanDerWaalsContact O-CG2 3.24Å; N427-I494 WeakPolarHBondContact O-CG2 3.46Å; N427-M498 HydrophobicContact CB-CG 3.91Å; N427-M498 HydrophobicContact CB-SD 3.77Å
428	I	95.8	Very high	94.4	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-84.6	-36.8	176	-171.1	62.1	0	0	0	111.4	L406 L412 H416 L419 E425 F430 W431 L432 M498	L406-I428 HydrophobicContact CD2-CD1 3.63Å; L412-I428 HydrophobicContact CD2-CD1 4Å; H416-I428 HydrophobicContact CB-CG2 4.21Å; L419-I428 HydrophobicContact CD1-CB 3.55Å; L419-I428 HydrophobicContact CD1-CG1 4.46Å; L419-I428 HydrophobicContact CD1-CG2 3.44Å; L419-I428 VanDerWaalsContact CD1-CG2 3.44Å; E425-I428 VanDerWaalsContact O-CG2 3.26Å; E425-I428 WeakPolarHBondContact O-CG2 3.17Å; E425-I428 PolarHBondContact O-N 2.88Å; I428-F430 PolarHBondContact O-N 3.28Å; I428-W431 HydrophobicContact CD1-CB 4.48Å; I428-W431 HydrophobicContact CD1-CE3 4Å; I428-W431 PolarHBondContact O-N 3.44Å; I428-L432 HydrophobicContact CG1-CD1 4.24Å; I428-L432 HydrophobicContact CG1-CG 4.47Å; I428-L432 WeakPolarHBondContact O-CG 3.31Å; I428-L432 PolarHBondContact O-N 2.82Å; I428-M498 HydrophobicContact CB-SD 4.03Å; I428-M498 HydrophobicContact CD1-CE 4.11Å; I428-M498 HydrophobicContact CD1-SD 4.41Å
429	E	94.7	Very high	94.2	Very high	5 Å²	5	32.7 Å²	32.7	2%	0.023	15%	0.149	C	C	.	.	H	α-helix	trans	-57	-49.7	172.8	-67.3	170.6	158.3	0	0	110.9	F357 E425 E426 W431 L432 I433 Y456 H463	F357-E429 HydrophobicContact CE1-CG 4.49Å; E425-E429 WeakPolarHBondContact O-CG 3.43Å; E425-E429 PolarHBondContact O-N 2.83Å; E426-E429 WeakPolarHBondContact CA-OE2 3.4Å; E429-W431 VanDerWaalsContact C-N 3.34Å; E429-W431 PolarHBondContact O-N 2.86Å; E429-L432 PolarHBondContact O-N 2.87Å; E429-I433 WeakPolarHBondContact O-CD1 3.41Å; E429-I433 VanDerWaalsContact O-CG1 3.29Å; E429-I433 WeakPolarHBondContact O-CG1 3.37Å; E429-I433 PolarHBondContact O-N 3.45Å; E429-Y456 HydrophobicContact CB-CE1 4.03Å; E429-H463 IonicContact OE1-CE1 3.27Å; E429-H463 IonicContact OE2-CE1 2.87Å; E429-H463 PolarHBondContact OE2-CE1 3.04Å; E429-H463 VanDerWaalsContact OE2-CE1 3.27Å; E429-H463 IonicContact OE2-CG 2.7Å; E429-H463 IonicContact OE2-ND1 3.84Å; E429-H463 PolarHBondContact OE2-ND1 2.82Å
430	F	96.6	Very high	94	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60.6	-41	174.9	176.7	-108.4	0	0	0	112.7	E426 I428 I433 C434 I452 Y456 L457 V465 F487 A490 I494	E426-F430 WeakPolarHBondContact O-CB 3.41Å; E426-F430 PolarHBondContact O-N 3.48Å; E426-F430 VanDerWaalsContact O-N 3.09Å; I428-F430 PolarHBondContact O-N 3.28Å; F430-I433 PolarHBondContact O-N 2.97Å; F430-C434 VanDerWaalsContact CZ-SG 3.51Å; F430-C434 WeakPolarHBondContact O-CB 3.48Å; F430-C434 PolarHBondContact O-N 2.96Å; F430-C434 PolarHBondContact O-SG 2.94Å; F430-I452 HydrophobicContact CD2-CG2 4.21Å; F430-I452 HydrophobicContact CE2-CG2 3.82Å; F430-Y456 HydrophobicContact CB-CD1 3.76Å; F430-Y456 HydrophobicContact CB-CE1 4.15Å; F430-Y456 HydrophobicContact CB-CG 4.05Å; F430-Y456 VanDerWaalsContact CD2-CB 3.48Å; F430-Y456 HydrophobicContact CD2-CD1 4.27Å; F430-Y456 HydrophobicContact CD2-CD2 4.06Å; F430-Y456 AromaticContact CD2-CG 3.68Å; F430-Y456 HydrophobicContact CD2-CG 3.68Å; F430-Y456 HydrophobicContact CG-CD1 4.43Å; F430-Y456 HydrophobicContact CG-CG 4.28Å; F430-L457 HydrophobicContact CE2-CD2 4.22Å; F430-L457 HydrophobicContact CZ-CD2 4.26Å; F430-V465 HydrophobicContact CB-CG1 3.67Å; F430-V465 HydrophobicContact CD1-CG1 4.21Å; F430-V465 HydrophobicContact CD1-CG2 4.33Å; F430-V465 HydrophobicContact CE1-CG2 4.43Å; F430-V465 HydrophobicContact CG-CG1 3.9Å; F430-V465 HydrophobicContact CG-CG2 4.42Å; F430-F487 HydrophobicContact CE2-CD1 4.28Å; F430-F487 HydrophobicContact CZ-CD1 4.3Å; F430-A490 HydrophobicContact CE1-CB 4.05Å; F430-A490 HydrophobicContact CZ-CB 3.82Å; F430-I494 HydrophobicContact CD1-CB 4.24Å; F430-I494 HydrophobicContact CD1-CG1 3.89Å; F430-I494 HydrophobicContact CD1-CG2 4.37Å; F430-I494 HydrophobicContact CE1-CG1 3.96Å
431	W	97.1	Very high	93.9	Very high	17 Å²	17	30.2 Å²	30.2	6%	0.064	15%	0.147	C	C	.	.	H	α-helix	trans	-64.3	-43.6	179.5	-177.8	92	0	0	0	112.1	L406 L412 N427 I428 E429 C434 E435 Q491 M498	L406-W431 HydrophobicContact CB-CH2 4Å; L406-W431 HydrophobicContact CB-CZ2 4.34Å; L406-W431 HydrophobicContact CB-CZ3 4.46Å; L406-W431 HydrophobicContact CD1-CD2 4.44Å; L406-W431 HydrophobicContact CD1-CH2 4.24Å; L406-W431 HydrophobicContact CD1-CZ2 3.83Å; L406-W431 HydrophobicContact CD2-CE3 4.4Å; L406-W431 HydrophobicContact CD2-CZ3 4.34Å; L412-W431 HydrophobicContact CD2-CZ3 4.25Å; N427-W431 WeakPolarHBondContact O-CB 3.47Å; N427-W431 PolarHBondContact O-N 3.48Å; I428-W431 HydrophobicContact CD1-CB 4.48Å; I428-W431 HydrophobicContact CD1-CE3 4Å; I428-W431 PolarHBondContact O-N 3.44Å; E429-W431 VanDerWaalsContact C-N 3.34Å; E429-W431 PolarHBondContact O-N 2.86Å; W431-C434 PolarHBondContact O-N 3.13Å; W431-E435 HydrophobicContact CD2-CG 4.44Å; W431-E435 HydrophobicContact CE3-CG 4.28Å; W431-E435 HydrophobicContact CH2-CG 3.75Å; W431-E435 HydrophobicContact CZ2-CG 3.92Å; W431-E435 HydrophobicContact CZ3-CG 3.95Å; W431-E435 PolarHBondContact O-N 3.39Å; W431-Q491 HydrophobicContact CG-CG 4.14Å; W431-Q491 PolarHBondContact O-NE2 3.36Å; W431-M498 HydrophobicContact CB-CE 3.96Å; W431-M498 HydrophobicContact CG-CE 4.21Å
432	L	94.3	Very high	93.8	Very high	34 Å²	34	34.2 Å²	34.2	18%	0.178	16%	0.162	C	C	.	.	H	α-helix	trans	-63.6	-42	176	-72.1	167.6	0	0	0	112.1	L412 I428 E429 C434 E435 L436	L412-L432 HydrophobicContact CD1-CD2 4.3Å; L412-L432 HydrophobicContact CD2-CD2 4.37Å; I428-L432 HydrophobicContact CG1-CD1 4.24Å; I428-L432 HydrophobicContact CG1-CG 4.47Å; I428-L432 WeakPolarHBondContact O-CG 3.31Å; I428-L432 PolarHBondContact O-N 2.82Å; E429-L432 PolarHBondContact O-N 2.87Å; L432-C434 VanDerWaalsContact C-N 3.31Å; L432-C434 PolarHBondContact O-N 2.82Å; L432-E435 WeakPolarHBondContact O-CB 3.25Å; L432-E435 PolarHBondContact O-N 3.14Å; L432-L436 PolarHBondContact O-N 3.29Å
433	I	93.7	Very high	93.7	Very high	28 Å²	28	38.7 Å²	38.7	14%	0.144	18%	0.182	C	C	.	.	H	α-helix	trans	-67.8	-33.3	177.2	-66.8	165.6	0	0	0	111.2	E429 F430 L436 Y437 I452 Y456	E429-I433 WeakPolarHBondContact O-CD1 3.41Å; E429-I433 VanDerWaalsContact O-CG1 3.29Å; E429-I433 WeakPolarHBondContact O-CG1 3.37Å; E429-I433 PolarHBondContact O-N 3.45Å; F430-I433 PolarHBondContact O-N 2.97Å; I433-L436 PolarHBondContact O-N 3.33Å; I433-Y437 VanDerWaalsContact O-CB 3.28Å; I433-Y437 WeakPolarHBondContact O-CB 3.45Å; I433-Y437 PolarHBondContact O-N 2.73Å; I433-I452 HydrophobicContact CG2-CD1 3.73Å; I433-I452 HydrophobicContact CG2-CG1 3.62Å; I433-Y456 HydrophobicContact CD1-CE2 3.54Å; I433-Y456 VanDerWaalsContact CD1-OH 3.3Å; I433-Y456 WeakPolarHBondContact CD1-OH 3.31Å
434	C	95.4	Very high	93.7	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.014	17%	0.169	C	C	.	.	H	α-helix	trans	-68.3	-35.6	171.8	-69.8	0	0	0	0	113	F430 W431 L432 K438 Q491	F430-C434 VanDerWaalsContact CZ-SG 3.51Å; F430-C434 WeakPolarHBondContact O-CB 3.48Å; F430-C434 PolarHBondContact O-N 2.96Å; F430-C434 PolarHBondContact O-SG 2.94Å; W431-C434 PolarHBondContact O-N 3.13Å; L432-C434 VanDerWaalsContact C-N 3.31Å; L432-C434 PolarHBondContact O-N 2.82Å; C434-K438 WeakPolarHBondContact O-CG 3.49Å; C434-K438 PolarHBondContact O-N 3.28Å; C434-Q491 HydrophobicContact CB-CB 3.85Å; C434-Q491 VanDerWaalsContact CB-CD 3.49Å; C434-Q491 HydrophobicContact CB-CG 3.63Å
435	E	93.4	Very high	93.6	Very high	25 Å²	25	33.7 Å²	33.7	12%	0.117	16%	0.164	C	C	.	.	H	α-helix	trans	-61.1	-50.3	170.5	-75.3	-55.3	100.3	0	0	110.9	W431 L432 Y437 K438 H439 Q491	W431-E435 HydrophobicContact CD2-CG 4.44Å; W431-E435 HydrophobicContact CE3-CG 4.28Å; W431-E435 HydrophobicContact CH2-CG 3.75Å; W431-E435 HydrophobicContact CZ2-CG 3.92Å; W431-E435 HydrophobicContact CZ3-CG 3.95Å; W431-E435 PolarHBondContact O-N 3.39Å; L432-E435 WeakPolarHBondContact O-CB 3.25Å; L432-E435 PolarHBondContact O-N 3.14Å; E435-Y437 VanDerWaalsContact C-N 3.33Å; E435-Y437 PolarHBondContact O-N 3.45Å; E435-K438 WeakPolarHBondContact O-CB 3.48Å; E435-K438 PolarHBondContact O-N 3.21Å; E435-K438 WeakPolarHBondContact OE1-CE 3.36Å; E435-K438 IonicContact OE1-NZ 2.71Å; E435-K438 PolarHBondContact OE1-NZ 2.9Å; E435-H439 PolarHBondContact O-CD2 3.18Å; E435-H439 VanDerWaalsContact O-CD2 3.22Å; E435-Q491 PolarHBondContact OE1-NE2 2.99Å; E435-Q491 PolarHBondContact OE1-OE1 2.83Å
436	L	88.9	Confident	93.6	Very high	12 Å²	12	33 Å²	33	6%	0.063	17%	0.166	C	C	.	.	H	α-helix	trans	-56	-46	177.6	-76.2	157.8	0	0	0	112.3	L315 I316 L320 L432 I433 K438 H439	L315-L436 HydrophobicContact CD2-CB 4.08Å; L315-L436 HydrophobicContact CD2-CD1 4.08Å; L315-L436 HydrophobicContact CD2-CD2 4.02Å; L315-L436 HydrophobicContact CD2-CG 4.3Å; L315-L436 HydrophobicContact CG-CD2 4.04Å; I316-L436 HydrophobicContact CD1-CD1 4.47Å; I316-L436 HydrophobicContact CG1-CD1 3.88Å; I316-L436 HydrophobicContact CG1-CD2 3.99Å; L320-L436 HydrophobicContact CD1-CD1 4.48Å; L320-L436 HydrophobicContact CD1-CD2 3.75Å; L320-L436 HydrophobicContact CD1-CG 4.19Å; L320-L436 HydrophobicContact CG-CD2 3.65Å; L320-L436 HydrophobicContact CG-CG 4.24Å; L432-L436 PolarHBondContact O-N 3.29Å; I433-L436 PolarHBondContact O-N 3.33Å; L436-K438 VanDerWaalsContact C-N 3.31Å; L436-K438 PolarHBondContact O-N 3.27Å; L436-H439 PolarHBondContact O-N 2.7Å; L436-H439 VanDerWaalsContact O-N 3.14Å
437	Y	94.2	Very high	93.5	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.008	19%	0.187	C	C	.	.	H	α-helix	trans	-63.9	-29.6	-176.9	176.9	-84.4	0	0	0	113.7	I433 E435 H439 L440 L445 E448 I452 P482 T483 N484 F487	I433-Y437 VanDerWaalsContact O-CB 3.28Å; I433-Y437 WeakPolarHBondContact O-CB 3.45Å; I433-Y437 PolarHBondContact O-N 2.73Å; E435-Y437 VanDerWaalsContact C-N 3.33Å; E435-Y437 PolarHBondContact O-N 3.45Å; Y437-H439 PolarHBondContact O-N 3.09Å; Y437-L440 HydrophobicContact CD2-CD1 3.8Å; Y437-L440 HydrophobicContact CE2-CD1 4.47Å; Y437-L440 HydrophobicContact CG-CD1 4.42Å; Y437-L440 PolarHBondContact O-N 3.38Å; Y437-L445 HydrophobicContact CD1-CD2 4.49Å; Y437-L445 HydrophobicContact CD2-CD2 4.11Å; Y437-L445 HydrophobicContact CE1-CD2 4.05Å; Y437-L445 HydrophobicContact CE2-CB 4.34Å; Y437-L445 HydrophobicContact CE2-CD2 3.61Å; Y437-E448 HydrophobicContact CD2-CB 4.38Å; Y437-E448 HydrophobicContact CD2-CG 4.33Å; Y437-I452 HydrophobicContact CD2-CD1 3.63Å; Y437-I452 HydrophobicContact CE2-CD1 4.39Å; Y437-I452 HydrophobicContact CG-CD1 3.98Å; Y437-P482 WeakPolarHBondContact OH-CB 3.48Å; Y437-T483 WeakPolarHBondContact CE1-O 3.36Å; Y437-T483 PolarHBondContact OH-O 2.62Å; Y437-N484 PolarHBondContact O-ND2 3.13Å; Y437-F487 AromaticContact CD1-CD2 3.6Å; Y437-F487 HydrophobicContact CD1-CD2 3.6Å; Y437-F487 HydrophobicContact CD1-CE2 4.09Å; Y437-F487 HydrophobicContact CD2-CD2 4.36Å; Y437-F487 HydrophobicContact CD2-CE2 4.08Å; Y437-F487 AromaticContact CE1-CD2 3.47Å; Y437-F487 HydrophobicContact CE1-CD2 3.47Å; Y437-F487 VanDerWaalsContact CE1-CD2 3.47Å; Y437-F487 AromaticContact CE1-CE2 3.77Å; Y437-F487 HydrophobicContact CE1-CE2 3.77Å; Y437-F487 HydrophobicContact CE2-CD2 4.27Å; Y437-F487 AromaticContact CE2-CE2 3.76Å; Y437-F487 HydrophobicContact CE2-CE2 3.76Å; Y437-F487 HydrophobicContact CG-CD2 4.06Å; Y437-F487 HydrophobicContact CG-CE2 4.24Å; Y437-F487 AromaticContact CZ-CD2 3.84Å; Y437-F487 AromaticContact CZ-CE2 3.6Å
438	K	93.4	Very high	93.3	Very high	61 Å²	61	37.5 Å²	37.5	27%	0.265	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-18.2	174.4	-73	169.5	-173.5	175.9	0	114	C434 E435 L436 N484	C434-K438 WeakPolarHBondContact O-CG 3.49Å; C434-K438 PolarHBondContact O-N 3.28Å; E435-K438 WeakPolarHBondContact O-CB 3.48Å; E435-K438 PolarHBondContact O-N 3.21Å; E435-K438 WeakPolarHBondContact OE1-CE 3.36Å; E435-K438 IonicContact OE1-NZ 2.71Å; E435-K438 PolarHBondContact OE1-NZ 2.9Å; L436-K438 VanDerWaalsContact C-N 3.31Å; L436-K438 PolarHBondContact O-N 3.27Å; K438-N484 WeakPolarHBondContact O-CB 3.41Å; K438-N484 PolarHBondContact O-ND2 3.04Å
439	H	90.9	Very high	93.4	Very high	80 Å²	80	37.5 Å²	37.5	37%	0.37	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122	9.1	-171.1	-57.6	-63.4	0	0	0	113	I319 S323 E435 L436 Y437	I319-H439 HydrophobicContact CG2-CB 3.26Å; S323-H439 WeakPolarHBondContact CB-CD2 3.42Å; S323-H439 VanDerWaalsContact CB-NE2 3.28Å; S323-H439 WeakPolarHBondContact CB-NE2 3.26Å; E435-H439 PolarHBondContact O-CD2 3.18Å; E435-H439 VanDerWaalsContact O-CD2 3.22Å; L436-H439 PolarHBondContact O-N 2.7Å; L436-H439 VanDerWaalsContact O-N 3.14Å; Y437-H439 PolarHBondContact O-N 3.09Å
440	L	91.3	Very high	93.4	Very high	7 Å²	7	43.5 Å²	43.5	4%	0.037	21%	0.209	C	C	.	.			trans	-67.1	145.4	172.4	-90.7	176.5	0	0	0	113.3	Y311 L315 I319 Y437 D444 L445 E448 N484	Y311-L440 WeakPolarHBondContact OH-CD2 3.5Å; L315-L440 HydrophobicContact CD1-CD2 3.24Å; L315-L440 HydrophobicContact CD1-CG 3.93Å; I319-L440 HydrophobicContact CD1-CD2 3.99Å; Y437-L440 HydrophobicContact CD2-CD1 3.8Å; Y437-L440 HydrophobicContact CE2-CD1 4.47Å; Y437-L440 HydrophobicContact CG-CD1 4.42Å; Y437-L440 PolarHBondContact O-N 3.38Å; L440-D444 HydrophobicContact CD1-CB 4.44Å; L440-D444 HydrophobicContact CD2-CB 3.76Å; L440-L445 HydrophobicContact CB-CD2 3.58Å; L440-L445 HydrophobicContact CB-CG 4.43Å; L440-L445 HydrophobicContact CD1-CD2 4.24Å; L440-E448 HydrophobicContact CD1-CB 3.75Å; L440-E448 HydrophobicContact CD1-CG 3.92Å; L440-N484 PolarHBondContact O-ND2 3.36Å
441	P	90.9	Very high	93.3	Very high	55 Å²	55	45.7 Å²	45.7	36%	0.357	22%	0.217	S	C	.	.			trans	-58.2	151.4	163.1	-21.4	34.1	0	0	0	112.1	E443 D444 L445	P441-E443 VanDerWaalsContact C-N 3.26Å; P441-E443 HydrophobicContact CB-CG 3.97Å; P441-E443 VanDerWaalsContact CB-OE2 3.22Å; P441-E443 WeakPolarHBondContact CB-OE2 3.43Å; P441-E443 PolarHBondContact O-N 3.4Å; P441-D444 PolarHBondContact O-N 2.79Å; P441-D444 VanDerWaalsContact O-N 3.13Å; P441-L445 PolarHBondContact O-N 2.9Å
442	Q	91.4	Very high	93.2	Very high	122 Å²	122	45 Å²	45	57%	0.57	21%	0.214	S	C	*	.	H	α-helix	trans	-64.6	-30.6	-174	-72	-78.8	-51.9	0	0	112.8	D444 N484	Q442-D444 VanDerWaalsContact C-N 3.32Å; Q442-D444 PolarHBondContact O-N 2.72Å; Q442-N484 PolarHBondContact NE2-OD1 3.29Å
443	E	92.3	Very high	93.3	Very high	151 Å²	151	46.9 Å²	46.9	71%	0.706	22%	0.22	S	C	*	.	H	α-helix	trans	-61.4	-35.8	174.6	52.7	-92.9	-128.5	0	0	113.3	P441	P441-E443 VanDerWaalsContact C-N 3.26Å; P441-E443 HydrophobicContact CB-CG 3.97Å; P441-E443 VanDerWaalsContact CB-OE2 3.22Å; P441-E443 WeakPolarHBondContact CB-OE2 3.43Å; P441-E443 PolarHBondContact O-N 3.4Å
444	D	92	Very high	93.4	Very high	52 Å²	52	54 Å²	54	28%	0.278	25%	0.245	S	C	.	.	H	α-helix	trans	-85.8	-28.3	-175.1	-83.2	0.4	0	0	0	113.2	Y311 L440 P441 Q442 G446 E447 E448	Y311-D444 PolarHBondContact OH-OD2 3.25Å; L440-D444 HydrophobicContact CD1-CB 4.44Å; L440-D444 HydrophobicContact CD2-CB 3.76Å; P441-D444 PolarHBondContact O-N 2.79Å; P441-D444 VanDerWaalsContact O-N 3.13Å; Q442-D444 VanDerWaalsContact C-N 3.32Å; Q442-D444 PolarHBondContact O-N 2.72Å; D444-G446 PolarHBondContact O-N 3.04Å; D444-E447 PolarHBondContact O-N 3.01Å; D444-E448 PolarHBondContact O-N 3.49Å
445	L	93.2	Very high	93.3	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-50.9	-35.2	-178.6	-64.1	179.6	0	0	0	112.5	Y437 L440 P441 S449 P482	Y437-L445 HydrophobicContact CD1-CD2 4.49Å; Y437-L445 HydrophobicContact CD2-CD2 4.11Å; Y437-L445 HydrophobicContact CE1-CD2 4.05Å; Y437-L445 HydrophobicContact CE2-CB 4.34Å; Y437-L445 HydrophobicContact CE2-CD2 3.61Å; L440-L445 HydrophobicContact CB-CD2 3.58Å; L440-L445 HydrophobicContact CB-CG 4.43Å; L440-L445 HydrophobicContact CD1-CD2 4.24Å; P441-L445 PolarHBondContact O-N 2.9Å; L445-S449 WeakPolarHBondContact O-CB 3.24Å; L445-S449 PolarHBondContact O-N 3.1Å; L445-S449 PolarHBondContact O-OG 3.24Å; L445-P482 HydrophobicContact CB-CB 4.32Å
446	G	94.4	Very high	93.5	Very high	16 Å²	16	56.8 Å²	56.8	17%	0.165	26%	0.259	C	S	.	.	H	α-helix	trans	-63.3	-46.4	176.3	0	0	0	0	0	113.5	D444 S449 R450	D444-G446 PolarHBondContact O-N 3.04Å; G446-S449 PolarHBondContact O-OG 3.36Å; G446-R450 VanDerWaalsContact C-CZ 3.49Å; G446-R450 WeakPolarHBondContact O-CG 3.44Å; G446-R450 PolarHBondContact O-NE 3.43Å; G446-R450 VanDerWaalsContact O-NE 3.08Å; G446-R450 PolarHBondContact O-NH1 3.18Å; G446-R450 VanDerWaalsContact O-NH1 3.09Å; G446-R450 PolarHBondContact O-NH2 2.93Å; G446-R450 VanDerWaalsContact O-NH2 3.15Å
447	E	93.3	Very high	93.8	Very high	109 Å²	109	56.2 Å²	56.2	51%	0.509	26%	0.256	S	S	.	.	H	α-helix	trans	-72.8	-46.8	179.6	-165.5	169.1	149.1	0	0	110.8	K307 D444 R450 R451	K307-E447 IonicContact NZ-OE1 3.48Å; K307-E447 PolarHBondContact NZ-OE1 3.09Å; K307-E447 IonicContact NZ-OE2 3.15Å; K307-E447 PolarHBondContact NZ-OE2 3.49Å; D444-E447 PolarHBondContact O-N 3.01Å; E447-R450 PolarHBondContact O-N 3.32Å; E447-R451 PolarHBondContact O-N 3.4Å
448	E	92.9	Very high	93.8	Very high	8 Å²	8	56.9 Å²	56.9	4%	0.037	26%	0.262	C	S	.	.	H	α-helix	trans	-73.2	-38.5	-172.8	-165.8	63.8	-172.6	0	0	113	Y311 Y437 L440 D444 R450 R451 I452	Y311-E448 WeakPolarHBondContact CE1-OE2 3.17Å; Y437-E448 HydrophobicContact CD2-CB 4.38Å; Y437-E448 HydrophobicContact CD2-CG 4.33Å; L440-E448 HydrophobicContact CD1-CB 3.75Å; L440-E448 HydrophobicContact CD1-CG 3.92Å; D444-E448 PolarHBondContact O-N 3.49Å; E448-R450 PolarHBondContact O-N 2.74Å; E448-R451 CarbonylContact O-C 3.59Å; E448-R451 WeakPolarHBondContact O-CA 3.48Å; E448-R451 WeakPolarHBondContact O-CB 3.46Å; E448-R451 PolarHBondContact O-N 2.92Å; E448-R451 WeakPolarHBondContact OE1-CD 3.3Å; E448-R451 IonicContact OE1-CZ 2.73Å; E448-R451 IonicContact OE1-NH1 3.27Å; E448-R451 PolarHBondContact OE1-NH1 3.06Å; E448-R451 WeakPolarHBondContact OE2-CD 3.48Å; E448-R451 IonicContact OE2-CZ 3.13Å; E448-R451 IonicContact OE2-NE 2.62Å; E448-R451 IonicContact OE2-NH1 2.72Å; E448-R451 PolarHBondContact OE2-NH1 2.69Å; E448-R451 VanDerWaalsContact OE2-NH1 3.15Å; E448-I452 HydrophobicContact CG-CD1 3.99Å; E448-I452 HydrophobicContact CG-CG1 4.22Å; E448-I452 VanDerWaalsContact O-CG1 3.32Å; E448-I452 WeakPolarHBondContact O-CG1 3.43Å; E448-I452 PolarHBondContact O-N 2.96Å
449	S	96	Very high	93.7	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.007	27%	0.274	C	S	.	.	H	α-helix	trans	-58.4	-36	175.5	59.1	0	0	0	0	112.6	L445 G446 Y453	L445-S449 WeakPolarHBondContact O-CB 3.24Å; L445-S449 PolarHBondContact O-N 3.1Å; L445-S449 PolarHBondContact O-OG 3.24Å; G446-S449 PolarHBondContact O-OG 3.36Å; S449-Y453 WeakPolarHBondContact O-CB 3.29Å; S449-Y453 PolarHBondContact O-N 3.45Å
450	R	95.3	Very high	93.7	Very high	131 Å²	131	62.3 Å²	62.3	49%	0.494	30%	0.295	S	S	.	.	H	α-helix	trans	-73	-29.1	174.7	-65.8	-174.3	-64.6	-105.2	2.3	112.7	G446 E447 E448 R454	G446-R450 VanDerWaalsContact C-CZ 3.49Å; G446-R450 WeakPolarHBondContact O-CG 3.44Å; G446-R450 PolarHBondContact O-NE 3.43Å; G446-R450 VanDerWaalsContact O-NE 3.08Å; G446-R450 PolarHBondContact O-NH1 3.18Å; G446-R450 VanDerWaalsContact O-NH1 3.09Å; G446-R450 PolarHBondContact O-NH2 2.93Å; G446-R450 VanDerWaalsContact O-NH2 3.15Å; E447-R450 PolarHBondContact O-N 3.32Å; E448-R450 PolarHBondContact O-N 2.74Å; R450-R454 WeakPolarHBondContact O-CD 3.41Å; R450-R454 VanDerWaalsContact O-CG 3.26Å; R450-R454 WeakPolarHBondContact O-CG 3.19Å; R450-R454 PolarHBondContact O-N 3.38Å
451	R	94.6	Very high	93.6	Very high	46 Å²	46	62.7 Å²	62.7	17%	0.174	30%	0.298	C	S	.	.	H	α-helix	trans	-72	-50.4	173.8	-170.3	-165.5	-178.6	-157	3.4	110.6	E447 E448 Y453 R454 L455	E447-R451 PolarHBondContact O-N 3.4Å; E448-R451 CarbonylContact O-C 3.59Å; E448-R451 WeakPolarHBondContact O-CA 3.48Å; E448-R451 WeakPolarHBondContact O-CB 3.46Å; E448-R451 PolarHBondContact O-N 2.92Å; E448-R451 WeakPolarHBondContact OE1-CD 3.3Å; E448-R451 IonicContact OE1-CZ 2.73Å; E448-R451 IonicContact OE1-NH1 3.27Å; E448-R451 PolarHBondContact OE1-NH1 3.06Å; E448-R451 WeakPolarHBondContact OE2-CD 3.48Å; E448-R451 IonicContact OE2-CZ 3.13Å; E448-R451 IonicContact OE2-NE 2.62Å; E448-R451 IonicContact OE2-NH1 2.72Å; E448-R451 PolarHBondContact OE2-NH1 2.69Å; E448-R451 VanDerWaalsContact OE2-NH1 3.15Å; R451-Y453 VanDerWaalsContact C-N 3.29Å; R451-Y453 PolarHBondContact O-N 3.1Å; R451-R454 PolarHBondContact O-N 2.95Å; R451-R454 VanDerWaalsContact O-N 3.1Å; R451-L455 HydrophobicContact CG-CD1 4.06Å; R451-L455 WeakPolarHBondContact O-CG 3.31Å; R451-L455 PolarHBondContact O-N 3.14Å
452	I	95.6	Very high	93.5	Very high	1 Å²	1	65 Å²	65	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-55.6	-45.3	174.6	-62.2	167.8	0	0	0	110.5	F430 I433 Y437 E448 R454 L455 Y456 F487	F430-I452 HydrophobicContact CD2-CG2 4.21Å; F430-I452 HydrophobicContact CE2-CG2 3.82Å; I433-I452 HydrophobicContact CG2-CD1 3.73Å; I433-I452 HydrophobicContact CG2-CG1 3.62Å; Y437-I452 HydrophobicContact CD2-CD1 3.63Å; Y437-I452 HydrophobicContact CE2-CD1 4.39Å; Y437-I452 HydrophobicContact CG-CD1 3.98Å; E448-I452 HydrophobicContact CG-CD1 3.99Å; E448-I452 HydrophobicContact CG-CG1 4.22Å; E448-I452 VanDerWaalsContact O-CG1 3.32Å; E448-I452 WeakPolarHBondContact O-CG1 3.43Å; E448-I452 PolarHBondContact O-N 2.96Å; I452-R454 PolarHBondContact O-N 2.87Å; I452-L455 PolarHBondContact O-N 3.38Å; I452-Y456 HydrophobicContact CG2-CD2 4.39Å; I452-Y456 PolarHBondContact O-N 3.25Å; I452-F487 HydrophobicContact CB-CE1 4.02Å; I452-F487 HydrophobicContact CB-CE2 4.46Å; I452-F487 HydrophobicContact CB-CZ 3.76Å; I452-F487 HydrophobicContact CD1-CD2 4.36Å; I452-F487 HydrophobicContact CD1-CE2 3.85Å; I452-F487 HydrophobicContact CD1-CZ 4.04Å; I452-F487 HydrophobicContact CG2-CD1 3.99Å; I452-F487 HydrophobicContact CG2-CE1 3.39Å; I452-F487 HydrophobicContact CG2-CE2 4.42Å; I452-F487 HydrophobicContact CG2-CZ 3.66Å
453	Y	96.6	Very high	93.5	Very high	75 Å²	75	60.8 Å²	60.8	29%	0.294	29%	0.294	S	S	.	.	I	π-helix	trans	-54.4	-51.8	174.6	174.3	-102.7	0	0	0	112.2	S449 R451 L455 L457 A458 I476 I479	S449-Y453 WeakPolarHBondContact O-CB 3.29Å; S449-Y453 PolarHBondContact O-N 3.45Å; R451-Y453 VanDerWaalsContact C-N 3.29Å; R451-Y453 PolarHBondContact O-N 3.1Å; Y453-L455 VanDerWaalsContact C-N 3.32Å; Y453-L455 PolarHBondContact O-N 3.15Å; Y453-L457 HydrophobicContact CD2-CB 3.8Å; Y453-L457 HydrophobicContact CD2-CD1 4.43Å; Y453-L457 HydrophobicContact CE2-CB 4.26Å; Y453-L457 CarbonylContact O-C 3.52Å; Y453-L457 PolarHBondContact O-N 2.85Å; Y453-A458 HydrophobicContact CE1-CB 4.13Å; Y453-A458 WeakPolarHBondContact O-CB 3.24Å; Y453-A458 PolarHBondContact O-N 2.56Å; Y453-I476 HydrophobicContact CD2-CG1 4.25Å; Y453-I476 HydrophobicContact CE2-CD1 3.99Å; Y453-I476 HydrophobicContact CE2-CG1 3.85Å; Y453-I479 HydrophobicContact CD2-CD1 4.33Å
454	R	95.1	Very high	93.7	Very high	176 Å²	176	54.9 Å²	54.9	66%	0.664	27%	0.266	S	S	*	.	I	π-helix	trans	-62.9	-36.2	-178.4	-72.7	167.1	-176.9	172.5	1.5	113	R450 R451 I452 S461	R450-R454 WeakPolarHBondContact O-CD 3.41Å; R450-R454 VanDerWaalsContact O-CG 3.26Å; R450-R454 WeakPolarHBondContact O-CG 3.19Å; R450-R454 PolarHBondContact O-N 3.38Å; R451-R454 PolarHBondContact O-N 2.95Å; R451-R454 VanDerWaalsContact O-N 3.1Å; I452-R454 PolarHBondContact O-N 2.87Å; R454-S461 PolarHBondContact O-OG 3.31Å
455	L	94.1	Very high	93.9	Very high	72 Å²	72	52.5 Å²	52.5	38%	0.377	25%	0.253	S	S	.	.	I	π-helix	trans	-83.7	-38.7	-175.9	-66.8	175.8	0	0	0	113.2	R451 I452 Y453 S461 H463	R451-L455 HydrophobicContact CG-CD1 4.06Å; R451-L455 WeakPolarHBondContact O-CG 3.31Å; R451-L455 PolarHBondContact O-N 3.14Å; I452-L455 PolarHBondContact O-N 3.38Å; Y453-L455 VanDerWaalsContact C-N 3.32Å; Y453-L455 PolarHBondContact O-N 3.15Å; L455-S461 VanDerWaalsContact C-OG 3.28Å; L455-S461 WeakPolarHBondContact O-CB 3.44Å; L455-S461 PolarHBondContact O-OG 3.05Å; L455-H463 CarbonylContact O-C 3.6Å; L455-H463 WeakPolarHBondContact O-CB 3.49Å
456	Y	96.1	Very high	93.9	Very high	14 Å²	14	56.3 Å²	56.3	6%	0.055	27%	0.274	C	S	.	.	I	π-helix	trans	-121.5	-20	-169	-60.5	-81.5	0	0	0	115.7	E429 F430 I433 I452 H463 E464 V465	E429-Y456 HydrophobicContact CB-CE1 4.03Å; F430-Y456 HydrophobicContact CB-CD1 3.76Å; F430-Y456 HydrophobicContact CB-CE1 4.15Å; F430-Y456 HydrophobicContact CB-CG 4.05Å; F430-Y456 VanDerWaalsContact CD2-CB 3.48Å; F430-Y456 HydrophobicContact CD2-CD1 4.27Å; F430-Y456 HydrophobicContact CD2-CD2 4.06Å; F430-Y456 AromaticContact CD2-CG 3.68Å; F430-Y456 HydrophobicContact CD2-CG 3.68Å; F430-Y456 HydrophobicContact CG-CD1 4.43Å; F430-Y456 HydrophobicContact CG-CG 4.28Å; I433-Y456 HydrophobicContact CD1-CE2 3.54Å; I433-Y456 VanDerWaalsContact CD1-OH 3.3Å; I433-Y456 WeakPolarHBondContact CD1-OH 3.31Å; I452-Y456 HydrophobicContact CG2-CD2 4.39Å; I452-Y456 PolarHBondContact O-N 3.25Å; Y456-H463 WeakPolarHBondContact CA-O 3.45Å; Y456-H463 HydrophobicContact CD1-CB 3.78Å; Y456-H463 VanDerWaalsContact CD1-O 3.31Å; Y456-H463 WeakPolarHBondContact CD1-O 3.42Å; Y456-H463 HydrophobicContact CE1-CB 3.66Å; Y456-E464 WeakPolarHBondContact O-CA 3.15Å; Y456-V465 HydrophobicContact CD1-CG1 3.99Å; Y456-V465 VanDerWaalsContact O-CG2 3.3Å; Y456-V465 WeakPolarHBondContact O-CG2 3.45Å; Y456-V465 PolarHBondContact O-N 3.46Å
457	L	95.9	Very high	94	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.27	C	S	.	.	I	π-helix	trans	-115.7	-23.7	-172.7	-56.3	-178	0	0	0	114.6	F430 Y453 V465 L467 R472 T475 I479 F487	F430-L457 HydrophobicContact CE2-CD2 4.22Å; F430-L457 HydrophobicContact CZ-CD2 4.26Å; Y453-L457 HydrophobicContact CD2-CB 3.8Å; Y453-L457 HydrophobicContact CD2-CD1 4.43Å; Y453-L457 HydrophobicContact CE2-CB 4.26Å; Y453-L457 CarbonylContact O-C 3.52Å; Y453-L457 PolarHBondContact O-N 2.85Å; L457-V465 HydrophobicContact CD2-CG2 3.94Å; L457-L467 HydrophobicContact CD2-CD1 3.46Å; L457-L467 VanDerWaalsContact CD2-CD1 3.46Å; L457-R472 PolarHBondContact O-NH1 3.29Å; L457-T475 HydrophobicContact CD1-CG2 3.62Å; L457-I479 HydrophobicContact CD1-CD1 3.86Å; L457-F487 HydrophobicContact CD1-CD1 4.21Å; L457-F487 HydrophobicContact CD1-CE1 3.73Å
458	A	94.2	Very high	94.1	Very high	17 Å²	17	54.5 Å²	54.5	14%	0.14	26%	0.264	C	S	.	.	S	Bend	trans	-64.3	132.3	178.6	0	0	0	0	0	110.5	Y453 H460 S461	Y453-A458 HydrophobicContact CE1-CB 4.13Å; Y453-A458 WeakPolarHBondContact O-CB 3.24Å; Y453-A458 PolarHBondContact O-N 2.56Å; A458-H460 PolarHBondContact O-N 3.2Å; A458-S461 WeakPolarHBondContact O-CB 3.48Å; A458-S461 PolarHBondContact O-N 3.01Å; A458-S461 VanDerWaalsContact O-N 3.09Å
459	P	92.3	Very high	94.2	Very high	77 Å²	77	58.5 Å²	58.5	50%	0.5	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	134	175.9	-25.2	34.3	0	0	0	111.6	S461	P459-S461 VanDerWaalsContact C-N 3.28Å; P459-S461 PolarHBondContact O-N 3.4Å
460	H	89.4	Confident	94.2	Very high	178 Å²	178	66.2 Å²	66.2	82%	0.824	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	16.2	-176.8	-39.9	-73.1	0	0	0	115.5	A458 E464	A458-H460 PolarHBondContact O-N 3.2Å; H460-E464 PolarHBondContact N-OE2 3.44Å
461	S	90.5	Very high	94.3	Very high	15 Å²	15	60.5 Å²	60.5	11%	0.105	31%	0.308	C	S	.	.			trans	-63.4	142.6	166.9	-173.2	0	0	0	0	110.8	R454 L455 A458 P459 H463 E464	R454-S461 PolarHBondContact O-OG 3.31Å; L455-S461 VanDerWaalsContact C-OG 3.28Å; L455-S461 WeakPolarHBondContact O-CB 3.44Å; L455-S461 PolarHBondContact O-OG 3.05Å; A458-S461 WeakPolarHBondContact O-CB 3.48Å; A458-S461 PolarHBondContact O-N 3.01Å; A458-S461 VanDerWaalsContact O-N 3.09Å; P459-S461 VanDerWaalsContact C-N 3.28Å; P459-S461 PolarHBondContact O-N 3.4Å; S461-H463 PolarHBondContact O-N 3.43Å; S461-E464 VanDerWaalsContact O-CB 3.31Å; S461-E464 WeakPolarHBondContact O-CB 3.47Å; S461-E464 PolarHBondContact O-N 2.91Å; S461-E464 VanDerWaalsContact O-N 3.13Å
462	P	87.6	Confident	94.4	Very high	104 Å²	104	60.4 Å²	60.4	68%	0.675	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-30.3	174.7	20.3	-32.9	0	0	0	113.9
463	H	91.9	Very high	94.5	Very high	33 Å²	33	65.4 Å²	65.4	15%	0.153	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	31	178.1	-66.4	-116.9	0	0	0	112	F360 E426 E429 L455 Y456 S461 V465	F360-H463 AromaticContact CE2-CE1 4Å; F360-H463 AromaticContact CE2-NE2 3.24Å; F360-H463 WeakPolarHBondContact CE2-NE2 3.43Å; F360-H463 AromaticContact CZ-CD2 3.88Å; F360-H463 AromaticContact CZ-NE2 3.17Å; F360-H463 WeakPolarHBondContact CZ-NE2 3.32Å; E426-H463 HydrophobicContact CB-CB 3.92Å; E429-H463 IonicContact OE1-CE1 3.27Å; E429-H463 IonicContact OE2-CE1 2.87Å; E429-H463 PolarHBondContact OE2-CE1 3.04Å; E429-H463 VanDerWaalsContact OE2-CE1 3.27Å; E429-H463 IonicContact OE2-CG 2.7Å; E429-H463 IonicContact OE2-ND1 3.84Å; E429-H463 PolarHBondContact OE2-ND1 2.82Å; L455-H463 CarbonylContact O-C 3.6Å; L455-H463 WeakPolarHBondContact O-CB 3.49Å; Y456-H463 WeakPolarHBondContact CA-O 3.45Å; Y456-H463 HydrophobicContact CD1-CB 3.78Å; Y456-H463 VanDerWaalsContact CD1-O 3.31Å; Y456-H463 WeakPolarHBondContact CD1-O 3.42Å; Y456-H463 HydrophobicContact CE1-CB 3.66Å; S461-H463 PolarHBondContact O-N 3.43Å; H463-V465 PolarHBondContact O-N 2.83Å
464	E	95.6	Very high	94.5	Very high	27 Å²	27	66.4 Å²	66.4	13%	0.126	34%	0.342	C	S	.	.			trans	-63.8	106.4	-178.4	-171.2	-174.2	172.7	0	0	112.8	Y456 H460 S461 R472	Y456-E464 WeakPolarHBondContact O-CA 3.15Å; H460-E464 PolarHBondContact N-OE2 3.44Å; S461-E464 VanDerWaalsContact O-CB 3.31Å; S461-E464 WeakPolarHBondContact O-CB 3.47Å; S461-E464 PolarHBondContact O-N 2.91Å; S461-E464 VanDerWaalsContact O-N 3.13Å; E464-R472 IonicContact OE1-CZ 3.91Å; E464-R472 VanDerWaalsContact OE1-CZ 3.23Å; E464-R472 IonicContact OE1-NH1 2.79Å; E464-R472 PolarHBondContact OE1-NH1 3.48Å; E464-R472 IonicContact OE1-NH2 3.23Å; E464-R472 PolarHBondContact OE1-NH2 3.42Å
465	V	96.8	Very high	94.5	Very high	2 Å²	2	58 Å²	58	1%	0.012	31%	0.31	C	S	.	.			trans	-70.8	153.1	-177.3	-65.1	0	0	0	0	113.3	E426 F430 Y456 L457 H463 L467 I494	E426-V465 HydrophobicContact CB-CG1 4.43Å; E426-V465 HydrophobicContact CG-CG1 3.94Å; E426-V465 WeakPolarHBondContact O-CG1 3.43Å; F430-V465 HydrophobicContact CB-CG1 3.67Å; F430-V465 HydrophobicContact CD1-CG1 4.21Å; F430-V465 HydrophobicContact CD1-CG2 4.33Å; F430-V465 HydrophobicContact CE1-CG2 4.43Å; F430-V465 HydrophobicContact CG-CG1 3.9Å; F430-V465 HydrophobicContact CG-CG2 4.42Å; Y456-V465 HydrophobicContact CD1-CG1 3.99Å; Y456-V465 VanDerWaalsContact O-CG2 3.3Å; Y456-V465 WeakPolarHBondContact O-CG2 3.45Å; Y456-V465 PolarHBondContact O-N 3.46Å; L457-V465 HydrophobicContact CD2-CG2 3.94Å; H463-V465 PolarHBondContact O-N 2.83Å; V465-L467 VanDerWaalsContact C-N 3.33Å; V465-L467 HydrophobicContact CG2-CD1 4.1Å; V465-L467 HydrophobicContact CG2-CG 4Å; V465-L467 PolarHBondContact O-N 2.99Å; V465-I494 HydrophobicContact CB-CD1 3.93Å; V465-I494 HydrophobicContact CB-CG1 4.34Å; V465-I494 HydrophobicContact CG2-CD1 4.28Å; V465-I494 HydrophobicContact CG2-CG1 4.41Å
466	N	94.5	Very high	94.6	Very high	81 Å²	81	57.7 Å²	57.7	43%	0.433	31%	0.308	S	S	.	.			trans	-85	65.5	-172	-161.5	80.8	0	0	0	113.7	R193 L497	R193-N466 PolarHBondContact NH2-OD1 3.11Å; N466-L497 HydrophobicContact CB-CD2 3.8Å
467	L	95.8	Very high	94.6	Very high	15 Å²	15	59.6 Å²	59.6	8%	0.079	33%	0.327	C	S	.	.			trans	-88.1	145.8	172.6	-65.9	175	0	0	0	112.8	L457 V465 T471 R472 A490 T493 I494	L457-L467 HydrophobicContact CD2-CD1 3.46Å; L457-L467 VanDerWaalsContact CD2-CD1 3.46Å; V465-L467 VanDerWaalsContact C-N 3.33Å; V465-L467 HydrophobicContact CG2-CD1 4.1Å; V465-L467 HydrophobicContact CG2-CG 4Å; V465-L467 PolarHBondContact O-N 2.99Å; L467-T471 HydrophobicContact CD1-CG2 4.41Å; L467-T471 HydrophobicContact CD2-CG2 3.86Å; L467-R472 HydrophobicContact CB-CB 4.29Å; L467-A490 HydrophobicContact CD1-CB 3.71Å; L467-A490 HydrophobicContact CD2-CB 4.11Å; L467-T493 HydrophobicContact CD2-CG2 3.7Å; L467-I494 HydrophobicContact CD2-CD1 3.75Å; L467-I494 HydrophobicContact CD2-CG1 3.76Å; L467-I494 HydrophobicContact CG-CD1 4.16Å; L467-I494 HydrophobicContact CG-CG1 4.4Å
468	D	95.1	Very high	94.6	Very high	71 Å²	71	61.8 Å²	61.8	38%	0.38	34%	0.338	S	S	.	.			trans	-67.6	165.4	165.7	71.1	85.1	0	0	0	112.1	E470 T471 R472	D468-E470 PolarHBondContact O-N 3.46Å; D468-E470 WeakPolarHBondContact OD1-CA 3.37Å; D468-E470 WeakPolarHBondContact OD1-CB 3.48Å; D468-E470 PolarHBondContact OD1-N 3.28Å; D468-T471 PolarHBondContact OD1-N 3.14Å; D468-T471 PolarHBondContact OD1-OG1 3.35Å; D468-T471 WeakPolarHBondContact OD2-CB 3.45Å; D468-T471 PolarHBondContact OD2-OG1 3.5Å; D468-R472 WeakPolarHBondContact O-CB 3.45Å; D468-R472 PolarHBondContact O-N 3.44Å
469	S	95.6	Very high	94.6	Very high	93 Å²	93	62.1 Å²	62.1	65%	0.65	34%	0.338	S	S	*	.	H	α-helix	trans	-69	-28.4	-175	-54.4	0	0	0	0	114.3	N473	S469-N473 VanDerWaalsContact O-CB 3.25Å; S469-N473 WeakPolarHBondContact O-CB 3.46Å; S469-N473 PolarHBondContact O-N 3.03Å; S469-N473 VanDerWaalsContact O-N 3.1Å; S469-N473 PolarHBondContact O-ND2 3.09Å
470	E	96.6	Very high	94.6	Very high	163 Å²	163	63.5 Å²	63.5	76%	0.762	35%	0.349	S	S	*	.	H	α-helix	trans	-76.5	-53.5	-178.5	-173.4	173.9	170.3	0	0	109.7	D468 R472 N473 Q474	D468-E470 PolarHBondContact O-N 3.46Å; D468-E470 WeakPolarHBondContact OD1-CA 3.37Å; D468-E470 WeakPolarHBondContact OD1-CB 3.48Å; D468-E470 PolarHBondContact OD1-N 3.28Å; E470-R472 VanDerWaalsContact C-N 3.31Å; E470-R472 PolarHBondContact O-N 3.24Å; E470-N473 PolarHBondContact O-N 3.06Å; E470-Q474 WeakPolarHBondContact O-CB 3.4Å; E470-Q474 PolarHBondContact O-N 2.94Å
471	T	96.9	Very high	94.8	Very high	11 Å²	11	60.9 Å²	60.9	7%	0.067	34%	0.341	C	S	.	.	H	α-helix	trans	-55.8	-44.6	173.4	-59.3	0	0	0	0	111.6	L467 D468 T475 L489 A490	L467-T471 HydrophobicContact CD1-CG2 4.41Å; L467-T471 HydrophobicContact CD2-CG2 3.86Å; D468-T471 PolarHBondContact OD1-N 3.14Å; D468-T471 PolarHBondContact OD1-OG1 3.35Å; D468-T471 WeakPolarHBondContact OD2-CB 3.45Å; D468-T471 PolarHBondContact OD2-OG1 3.5Å; T471-T475 WeakPolarHBondContact O-CB 3.12Å; T471-T475 PolarHBondContact O-N 3.36Å; T471-T475 PolarHBondContact O-OG1 3.07Å; T471-L489 HydrophobicContact CG2-CD2 4.2Å; T471-L489 HydrophobicContact CG2-CG 3.94Å; T471-A490 HydrophobicContact CG2-CB 4.09Å
472	R	96.9	Very high	95	Very high	44 Å²	44	61.7 Å²	61.7	17%	0.166	35%	0.346	C	S	.	.	H	α-helix	trans	-63.1	-48.2	178.5	-171.9	-173.1	-67	-137.1	15.2	111.5	L457 E464 L467 D468 E470 Q474 T475 I476	L457-R472 PolarHBondContact O-NH1 3.29Å; E464-R472 IonicContact OE1-CZ 3.91Å; E464-R472 VanDerWaalsContact OE1-CZ 3.23Å; E464-R472 IonicContact OE1-NH1 2.79Å; E464-R472 PolarHBondContact OE1-NH1 3.48Å; E464-R472 IonicContact OE1-NH2 3.23Å; E464-R472 PolarHBondContact OE1-NH2 3.42Å; L467-R472 HydrophobicContact CB-CB 4.29Å; D468-R472 WeakPolarHBondContact O-CB 3.45Å; D468-R472 PolarHBondContact O-N 3.44Å; E470-R472 VanDerWaalsContact C-N 3.31Å; E470-R472 PolarHBondContact O-N 3.24Å; R472-Q474 PolarHBondContact O-N 3.47Å; R472-T475 PolarHBondContact O-N 3.17Å; R472-I476 HydrophobicContact CG-CD1 3.91Å; R472-I476 VanDerWaalsContact O-CG1 3.31Å; R472-I476 WeakPolarHBondContact O-CG1 3.45Å; R472-I476 PolarHBondContact O-N 2.93Å
473	N	96.2	Very high	95.4	Very high	106 Å²	106	59.4 Å²	59.4	57%	0.567	33%	0.33	S	S	*	.	H	α-helix	trans	-64.2	-41.5	-179.6	-73.7	-20.3	0	0	0	111.9	S469 E470 T475 I476 A477	S469-N473 VanDerWaalsContact O-CB 3.25Å; S469-N473 WeakPolarHBondContact O-CB 3.46Å; S469-N473 PolarHBondContact O-N 3.03Å; S469-N473 VanDerWaalsContact O-N 3.1Å; S469-N473 PolarHBondContact O-ND2 3.09Å; E470-N473 PolarHBondContact O-N 3.06Å; N473-T475 PolarHBondContact O-N 3.24Å; N473-I476 PolarHBondContact O-N 3.24Å; N473-A477 PolarHBondContact O-N 3.04Å
474	Q	96.6	Very high	95.6	Very high	96 Å²	96	59.7 Å²	59.7	45%	0.449	33%	0.333	S	S	.	.	H	α-helix	trans	-62.5	-42.2	175.1	-174.8	59.1	51.3	0	0	111.7	E470 R472 A477 N478 L489	E470-Q474 WeakPolarHBondContact O-CB 3.4Å; E470-Q474 PolarHBondContact O-N 2.94Å; R472-Q474 PolarHBondContact O-N 3.47Å; Q474-A477 WeakPolarHBondContact O-CB 3.21Å; Q474-A477 PolarHBondContact O-N 3.22Å; Q474-N478 PolarHBondContact NE2-OD1 2.95Å; Q474-N478 PolarHBondContact O-N 3.11Å; Q474-N478 PolarHBondContact O-OD1 3.34Å; Q474-L489 HydrophobicContact CB-CD2 4.39Å; Q474-L489 HydrophobicContact CG-CD2 4.31Å
475	T	96.8	Very high	95.6	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-65.1	-41.1	178.1	-52.7	0	0	0	0	111.2	L457 T471 R472 N473 A477 N478 I479 F487 A490	L457-T475 HydrophobicContact CD1-CG2 3.62Å; T471-T475 WeakPolarHBondContact O-CB 3.12Å; T471-T475 PolarHBondContact O-N 3.36Å; T471-T475 PolarHBondContact O-OG1 3.07Å; R472-T475 PolarHBondContact O-N 3.17Å; N473-T475 PolarHBondContact O-N 3.24Å; T475-A477 VanDerWaalsContact C-N 3.34Å; T475-A477 PolarHBondContact O-N 3.43Å; T475-N478 WeakPolarHBondContact O-CB 3.44Å; T475-N478 PolarHBondContact O-N 3.48Å; T475-I479 HydrophobicContact CG2-CD1 4.13Å; T475-I479 VanDerWaalsContact O-CD1 3.31Å; T475-I479 WeakPolarHBondContact O-CD1 3.37Å; T475-I479 VanDerWaalsContact O-CG1 3.24Å; T475-I479 WeakPolarHBondContact O-CG1 3.26Å; T475-I479 PolarHBondContact O-N 2.9Å; T475-I479 VanDerWaalsContact O-N 3.07Å; T475-F487 HydrophobicContact CG2-CD1 3.65Å; T475-F487 HydrophobicContact CG2-CE1 4.01Å; T475-F487 HydrophobicContact CG2-CG 4.46Å; T475-A490 HydrophobicContact CG2-CB 4.13Å
476	I	95.8	Very high	95.6	Very high	65 Å²	65	65.5 Å²	65.5	33%	0.333	36%	0.36	S	S	.	.	H	α-helix	trans	-63	-39.4	174.2	-68.7	170.7	0	0	0	111.4	Y453 R472 N473 I479	Y453-I476 HydrophobicContact CD2-CG1 4.25Å; Y453-I476 HydrophobicContact CE2-CD1 3.99Å; Y453-I476 HydrophobicContact CE2-CG1 3.85Å; R472-I476 HydrophobicContact CG-CD1 3.91Å; R472-I476 VanDerWaalsContact O-CG1 3.31Å; R472-I476 WeakPolarHBondContact O-CG1 3.45Å; R472-I476 PolarHBondContact O-N 2.93Å; N473-I476 PolarHBondContact O-N 3.24Å; I476-I479 PolarHBondContact O-N 3.16Å
477	A	95.9	Very high	95.8	Very high	53 Å²	53	61.8 Å²	61.8	44%	0.438	34%	0.34	S	S	.	.	H	α-helix	trans	-63.3	-44.6	173.4	0	0	0	0	0	111.7	N473 Q474 T475 I479 S480	N473-A477 PolarHBondContact O-N 3.04Å; Q474-A477 WeakPolarHBondContact O-CB 3.21Å; Q474-A477 PolarHBondContact O-N 3.22Å; T475-A477 VanDerWaalsContact C-N 3.34Å; T475-A477 PolarHBondContact O-N 3.43Å; A477-I479 VanDerWaalsContact C-N 3.27Å; A477-I479 PolarHBondContact O-N 2.94Å; A477-S480 WeakPolarHBondContact O-CB 3.32Å; A477-S480 PolarHBondContact O-N 2.72Å; A477-S480 VanDerWaalsContact O-N 3.09Å; A477-S480 PolarHBondContact O-OG 3.5Å
478	N	95.4	Very high	95.8	Very high	46 Å²	46	63.2 Å²	63.2	25%	0.246	35%	0.349	C	S	.	.	H	α-helix	trans	-59.7	-34.3	177.5	-64.8	-10.2	0	0	0	112.7	Q474 T475 S480 N481 S486	Q474-N478 PolarHBondContact NE2-OD1 2.95Å; Q474-N478 PolarHBondContact O-N 3.11Å; Q474-N478 PolarHBondContact O-OD1 3.34Å; T475-N478 WeakPolarHBondContact O-CB 3.44Å; T475-N478 PolarHBondContact O-N 3.48Å; N478-S480 PolarHBondContact O-N 2.98Å; N478-N481 CarbonylContact O-C 3.6Å; N478-N481 VanDerWaalsContact O-C 3.24Å; N478-N481 PolarHBondContact O-N 2.91Å; N478-S486 PolarHBondContact ND2-O 3.24Å; N478-S486 PolarHBondContact O-OG 2.98Å
479	I	93.9	Very high	95.9	Very high	24 Å²	24	63.3 Å²	63.3	12%	0.123	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-15.4	179.3	-67.5	157.9	0	0	0	112.4	Y453 L457 T475 I476 A477 N481 F487	Y453-I479 HydrophobicContact CD2-CD1 4.33Å; L457-I479 HydrophobicContact CD1-CD1 3.86Å; T475-I479 HydrophobicContact CG2-CD1 4.13Å; T475-I479 VanDerWaalsContact O-CD1 3.31Å; T475-I479 WeakPolarHBondContact O-CD1 3.37Å; T475-I479 VanDerWaalsContact O-CG1 3.24Å; T475-I479 WeakPolarHBondContact O-CG1 3.26Å; T475-I479 PolarHBondContact O-N 2.9Å; T475-I479 VanDerWaalsContact O-N 3.07Å; I476-I479 PolarHBondContact O-N 3.16Å; A477-I479 VanDerWaalsContact C-N 3.27Å; A477-I479 PolarHBondContact O-N 2.94Å; I479-N481 VanDerWaalsContact C-N 3.3Å; I479-N481 PolarHBondContact O-N 3.41Å; I479-F487 HydrophobicContact CD1-CE1 3.69Å; I479-F487 HydrophobicContact CD1-CZ 3.77Å; I479-F487 HydrophobicContact CG1-CE1 4.16Å; I479-F487 HydrophobicContact CG1-CE2 4.49Å; I479-F487 HydrophobicContact CG1-CZ 3.81Å
480	S	92.7	Very high	96	Very high	106 Å²	106	58.9 Å²	58.9	74%	0.741	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-24.5	173	72.8	0	0	0	0	113.7	A477 N478	A477-S480 WeakPolarHBondContact O-CB 3.32Å; A477-S480 PolarHBondContact O-N 2.72Å; A477-S480 VanDerWaalsContact O-N 3.09Å; A477-S480 PolarHBondContact O-OG 3.5Å; N478-S480 PolarHBondContact O-N 2.98Å
481	N	93.9	Very high	96.1	Very high	124 Å²	124	51.2 Å²	51.2	66%	0.663	28%	0.283	S	S	*	.	S	Bend	trans	-139.6	76.5	173.9	-177	54.1	0	0	0	108.8	N478 I479 T483	N478-N481 CarbonylContact O-C 3.6Å; N478-N481 VanDerWaalsContact O-C 3.24Å; N478-N481 PolarHBondContact O-N 2.91Å; I479-N481 VanDerWaalsContact C-N 3.3Å; I479-N481 PolarHBondContact O-N 3.41Å; N481-T483 PolarHBondContact O-N 3.32Å
482	P	95.6	Very high	96.1	Very high	32 Å²	32	56.1 Å²	56.1	21%	0.208	31%	0.305	C	S	.	.			trans	-69.9	126.7	-163.9	26.7	-33.6	0	0	0	112.5	Y437 L445 S486	Y437-P482 WeakPolarHBondContact OH-CB 3.48Å; L445-P482 HydrophobicContact CB-CB 4.32Å; P482-S486 WeakPolarHBondContact CA-OG 2.96Å
483	T	96.3	Very high	96.1	Very high	55 Å²	55	56 Å²	56	34%	0.337	31%	0.309	S	S	.	.			trans	-117.9	168.1	171.3	70.6	0	0	0	0	108.8	Y437 N481 E485 S486	Y437-T483 WeakPolarHBondContact CE1-O 3.36Å; Y437-T483 PolarHBondContact OH-O 2.62Å; N481-T483 PolarHBondContact O-N 3.32Å; T483-E485 PolarHBondContact O-N 3.03Å; T483-E485 VanDerWaalsContact O-N 3.09Å; T483-E485 PolarHBondContact OG1-N 2.81Å; T483-S486 PolarHBondContact N-OG 3.33Å; T483-S486 WeakPolarHBondContact O-CB 3.45Å; T483-S486 PolarHBondContact O-N 3.06Å; T483-S486 VanDerWaalsContact O-N 3.15Å; T483-S486 PolarHBondContact O-OG 3.23Å; T483-S486 VanDerWaalsContact O-OG 3.09Å
484	N	95.4	Very high	96.2	Very high	40 Å²	40	51 Å²	51	21%	0.214	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-17.4	173.1	-63.3	97.7	0	0	0	113.2	Y437 K438 L440 Q442	Y437-N484 PolarHBondContact O-ND2 3.13Å; K438-N484 WeakPolarHBondContact O-CB 3.41Å; K438-N484 PolarHBondContact O-ND2 3.04Å; L440-N484 PolarHBondContact O-ND2 3.36Å; Q442-N484 PolarHBondContact NE2-OD1 3.29Å
485	E	95.9	Very high	96.3	Very high	149 Å²	149	48.5 Å²	48.5	70%	0.696	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-9	-180	-61.4	-176.9	159.4	0	0	113.7	T483 F487 V488	T483-E485 PolarHBondContact O-N 3.03Å; T483-E485 VanDerWaalsContact O-N 3.09Å; T483-E485 PolarHBondContact OG1-N 2.81Å; E485-F487 PolarHBondContact O-N 2.7Å; E485-V488 HydrophobicContact CB-CG2 4.28Å; E485-V488 WeakPolarHBondContact O-CB 3.34Å; E485-V488 WeakPolarHBondContact O-CG2 3.01Å; E485-V488 PolarHBondContact O-N 2.78Å
486	S	97	Very high	96.3	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.014	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-30.3	-168.2	-68.8	0	0	0	0	115.6	N478 P482 T483	N478-S486 PolarHBondContact ND2-O 3.24Å; N478-S486 PolarHBondContact O-OG 2.98Å; P482-S486 WeakPolarHBondContact CA-OG 2.96Å; T483-S486 PolarHBondContact N-OG 3.33Å; T483-S486 WeakPolarHBondContact O-CB 3.45Å; T483-S486 PolarHBondContact O-N 3.06Å; T483-S486 VanDerWaalsContact O-N 3.15Å; T483-S486 PolarHBondContact O-OG 3.23Å; T483-S486 VanDerWaalsContact O-OG 3.09Å
487	F	97.3	Very high	96.3	Very high	3 Å²	3	49 Å²	49	1%	0.013	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	-0.8	-178.3	-62.8	-86.6	0	0	0	114.7	F430 Y437 I452 L457 T475 I479 E485 L489 A490 Q491	F430-F487 HydrophobicContact CE2-CD1 4.28Å; F430-F487 HydrophobicContact CZ-CD1 4.3Å; Y437-F487 AromaticContact CD1-CD2 3.6Å; Y437-F487 HydrophobicContact CD1-CD2 3.6Å; Y437-F487 HydrophobicContact CD1-CE2 4.09Å; Y437-F487 HydrophobicContact CD2-CD2 4.36Å; Y437-F487 HydrophobicContact CD2-CE2 4.08Å; Y437-F487 AromaticContact CE1-CD2 3.47Å; Y437-F487 HydrophobicContact CE1-CD2 3.47Å; Y437-F487 VanDerWaalsContact CE1-CD2 3.47Å; Y437-F487 AromaticContact CE1-CE2 3.77Å; Y437-F487 HydrophobicContact CE1-CE2 3.77Å; Y437-F487 HydrophobicContact CE2-CD2 4.27Å; Y437-F487 AromaticContact CE2-CE2 3.76Å; Y437-F487 HydrophobicContact CE2-CE2 3.76Å; Y437-F487 HydrophobicContact CG-CD2 4.06Å; Y437-F487 HydrophobicContact CG-CE2 4.24Å; Y437-F487 AromaticContact CZ-CD2 3.84Å; Y437-F487 AromaticContact CZ-CE2 3.6Å; I452-F487 HydrophobicContact CB-CE1 4.02Å; I452-F487 HydrophobicContact CB-CE2 4.46Å; I452-F487 HydrophobicContact CB-CZ 3.76Å; I452-F487 HydrophobicContact CD1-CD2 4.36Å; I452-F487 HydrophobicContact CD1-CE2 3.85Å; I452-F487 HydrophobicContact CD1-CZ 4.04Å; I452-F487 HydrophobicContact CG2-CD1 3.99Å; I452-F487 HydrophobicContact CG2-CE1 3.39Å; I452-F487 HydrophobicContact CG2-CE2 4.42Å; I452-F487 HydrophobicContact CG2-CZ 3.66Å; L457-F487 HydrophobicContact CD1-CD1 4.21Å; L457-F487 HydrophobicContact CD1-CE1 3.73Å; T475-F487 HydrophobicContact CG2-CD1 3.65Å; T475-F487 HydrophobicContact CG2-CE1 4.01Å; T475-F487 HydrophobicContact CG2-CG 4.46Å; I479-F487 HydrophobicContact CD1-CE1 3.69Å; I479-F487 HydrophobicContact CD1-CZ 3.77Å; I479-F487 HydrophobicContact CG1-CE1 4.16Å; I479-F487 HydrophobicContact CG1-CE2 4.49Å; I479-F487 HydrophobicContact CG1-CZ 3.81Å; E485-F487 PolarHBondContact O-N 2.7Å; F487-L489 VanDerWaalsContact C-N 3.33Å; F487-L489 PolarHBondContact O-N 2.67Å; F487-A490 PolarHBondContact O-N 2.72Å; F487-A490 VanDerWaalsContact O-N 3.1Å; F487-Q491 WeakPolarHBondContact O-CB 3.12Å; F487-Q491 PolarHBondContact O-N 3.1Å
488	V	96.8	Very high	96.4	Very high	44 Å²	44	46.6 Å²	46.6	27%	0.267	26%	0.259	S	S	.	.	H	α-helix	trans	-56	-44.2	-171	169.6	0	0	0	0	112.6	E485 Q491 Q492	E485-V488 HydrophobicContact CB-CG2 4.28Å; E485-V488 WeakPolarHBondContact O-CB 3.34Å; E485-V488 WeakPolarHBondContact O-CG2 3.01Å; E485-V488 PolarHBondContact O-N 2.78Å; V488-Q491 PolarHBondContact O-N 3.26Å; V488-Q492 HydrophobicContact CG1-CG 4.48Å; V488-Q492 WeakPolarHBondContact O-CB 3.28Å; V488-Q492 VanDerWaalsContact O-CG 3.26Å; V488-Q492 WeakPolarHBondContact O-CG 3.04Å; V488-Q492 PolarHBondContact O-N 2.96Å
489	L	96.9	Very high	96.5	Very high	74 Å²	74	46.8 Å²	46.8	39%	0.387	26%	0.26	S	S	.	.	H	α-helix	trans	-64.7	-45.3	178.2	-174.2	68	0	0	0	112	T471 Q474 F487 Q492 T493	T471-L489 HydrophobicContact CG2-CD2 4.2Å; T471-L489 HydrophobicContact CG2-CG 3.94Å; Q474-L489 HydrophobicContact CB-CD2 4.39Å; Q474-L489 HydrophobicContact CG-CD2 4.31Å; F487-L489 VanDerWaalsContact C-N 3.33Å; F487-L489 PolarHBondContact O-N 2.67Å; L489-Q492 PolarHBondContact O-N 2.73Å; L489-T493 PolarHBondContact O-N 3.19Å; L489-T493 PolarHBondContact O-OG1 3.37Å
490	A	97.9	Very high	96.6	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-61.6	-44.8	176.5	0	0	0	0	0	112	F430 L467 T471 T475 F487 T493 I494	F430-A490 HydrophobicContact CE1-CB 4.05Å; F430-A490 HydrophobicContact CZ-CB 3.82Å; L467-A490 HydrophobicContact CD1-CB 3.71Å; L467-A490 HydrophobicContact CD2-CB 4.11Å; T471-A490 HydrophobicContact CG2-CB 4.09Å; T475-A490 HydrophobicContact CG2-CB 4.13Å; F487-A490 PolarHBondContact O-N 2.72Å; F487-A490 VanDerWaalsContact O-N 3.1Å; A490-T493 PolarHBondContact O-N 3.21Å; A490-I494 WeakPolarHBondContact O-CG1 3.48Å; A490-I494 PolarHBondContact O-N 2.8Å
491	Q	97.8	Very high	96.8	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.009	27%	0.272	C	S	.	.	H	α-helix	trans	-62.4	-44.1	177.8	-170.5	-166.5	34.3	0	0	111.6	W431 C434 E435 F487 V488 T493 I494 Q495	W431-Q491 HydrophobicContact CG-CG 4.14Å; W431-Q491 PolarHBondContact O-NE2 3.36Å; C434-Q491 HydrophobicContact CB-CB 3.85Å; C434-Q491 VanDerWaalsContact CB-CD 3.49Å; C434-Q491 HydrophobicContact CB-CG 3.63Å; E435-Q491 PolarHBondContact OE1-NE2 2.99Å; E435-Q491 PolarHBondContact OE1-OE1 2.83Å; F487-Q491 WeakPolarHBondContact O-CB 3.12Å; F487-Q491 PolarHBondContact O-N 3.1Å; V488-Q491 PolarHBondContact O-N 3.26Å; Q491-T493 VanDerWaalsContact C-N 3.34Å; Q491-T493 PolarHBondContact O-N 2.78Å; Q491-I494 PolarHBondContact O-N 3.38Å; Q491-Q495 WeakPolarHBondContact O-CB 3.07Å; Q491-Q495 PolarHBondContact O-N 3.4Å
492	Q	97.4	Very high	97	Very high	113 Å²	113	46.6 Å²	46.6	53%	0.528	24%	0.243	S	C	.	.	H	α-helix	trans	-61.6	-40.5	175.3	-75.4	173.1	-6	0	0	112	V488 L489 G496	V488-Q492 HydrophobicContact CG1-CG 4.48Å; V488-Q492 WeakPolarHBondContact O-CB 3.28Å; V488-Q492 VanDerWaalsContact O-CG 3.26Å; V488-Q492 WeakPolarHBondContact O-CG 3.04Å; V488-Q492 PolarHBondContact O-N 2.96Å; L489-Q492 PolarHBondContact O-N 2.73Å; Q492-G496 PolarHBondContact O-N 3.09Å
493	T	97.6	Very high	97.1	Very high	43 Å²	43	45.6 Å²	45.6	26%	0.264	24%	0.235	S	C	.	.	H	α-helix	trans	-63.6	-41.7	175.3	-65.8	0	0	0	0	111.8	L467 L489 A490 Q491 G496 L497	L467-T493 HydrophobicContact CD2-CG2 3.7Å; L489-T493 PolarHBondContact O-N 3.19Å; L489-T493 PolarHBondContact O-OG1 3.37Å; A490-T493 PolarHBondContact O-N 3.21Å; Q491-T493 VanDerWaalsContact C-N 3.34Å; Q491-T493 PolarHBondContact O-N 2.78Å; T493-G496 PolarHBondContact O-N 3.15Å; T493-L497 WeakPolarHBondContact O-CB 3.48Å; T493-L497 PolarHBondContact O-N 3.45Å
494	I	97.7	Very high	97.1	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-73.4	-39.5	177.3	-62.9	-57.4	0	0	0	112.5	N427 F430 V465 L467 A490 Q491 G496 L497 M498	N427-I494 HydrophobicContact CB-CG2 3.74Å; N427-I494 VanDerWaalsContact O-CG2 3.24Å; N427-I494 WeakPolarHBondContact O-CG2 3.46Å; F430-I494 HydrophobicContact CD1-CB 4.24Å; F430-I494 HydrophobicContact CD1-CG1 3.89Å; F430-I494 HydrophobicContact CD1-CG2 4.37Å; F430-I494 HydrophobicContact CE1-CG1 3.96Å; V465-I494 HydrophobicContact CB-CD1 3.93Å; V465-I494 HydrophobicContact CB-CG1 4.34Å; V465-I494 HydrophobicContact CG2-CD1 4.28Å; V465-I494 HydrophobicContact CG2-CG1 4.41Å; L467-I494 HydrophobicContact CD2-CD1 3.75Å; L467-I494 HydrophobicContact CD2-CG1 3.76Å; L467-I494 HydrophobicContact CG-CD1 4.16Å; L467-I494 HydrophobicContact CG-CG1 4.4Å; A490-I494 WeakPolarHBondContact O-CG1 3.48Å; A490-I494 PolarHBondContact O-N 2.8Å; Q491-I494 PolarHBondContact O-N 3.38Å; I494-G496 VanDerWaalsContact C-N 3.31Å; I494-G496 PolarHBondContact O-N 2.96Å; I494-L497 HydrophobicContact CD1-CD2 4.28Å; I494-L497 WeakPolarHBondContact O-CB 3.45Å; I494-L497 PolarHBondContact O-N 2.71Å; I494-M498 HydrophobicContact CG2-CE 4.19Å; I494-M498 WeakPolarHBondContact O-CG 3.28Å; I494-M498 PolarHBondContact O-N 2.65Å
495	Q	97.6	Very high	97.2	Very high	43 Å²	43	48.5 Å²	48.5	20%	0.201	24%	0.24	C	C	.	.	H	α-helix	trans	-59.6	-43.4	171.1	-173.9	173.3	-16.1	0	0	110.8	F402 D403 L406 Q491 L497 M498 N499	F402-Q495 HydrophobicContact CD1-CG 4.2Å; F402-Q495 HydrophobicContact CE1-CG 3.91Å; F402-Q495 WeakPolarHBondContact CE1-O 3.48Å; D403-Q495 PolarHBondContact OD1-NE2 3.29Å; L406-Q495 HydrophobicContact CD1-CG 4Å; Q491-Q495 WeakPolarHBondContact O-CB 3.07Å; Q491-Q495 PolarHBondContact O-N 3.4Å; Q495-L497 VanDerWaalsContact C-N 3.33Å; Q495-L497 PolarHBondContact O-N 3.36Å; Q495-M498 PolarHBondContact O-N 3.29Å; Q495-N499 VanDerWaalsContact O-CB 3.27Å; Q495-N499 WeakPolarHBondContact O-CB 3.21Å; Q495-N499 PolarHBondContact O-N 2.86Å
496	G	97.4	Very high	97.2	Very high	22 Å²	22	41.4 Å²	41.4	23%	0.227	21%	0.207	C	C	.	.	H	α-helix	trans	-66.3	-30.1	175.3	0	0	0	0	0	114.1	Q492 T493 I494 K500	Q492-G496 PolarHBondContact O-N 3.09Å; T493-G496 PolarHBondContact O-N 3.15Å; I494-G496 VanDerWaalsContact C-N 3.31Å; I494-G496 PolarHBondContact O-N 2.96Å; G496-K500 WeakPolarHBondContact O-CB 3.39Å; G496-K500 VanDerWaalsContact O-CD 3.26Å; G496-K500 WeakPolarHBondContact O-CD 3.32Å; G496-K500 WeakPolarHBondContact O-CG 3.4Å; G496-K500 PolarHBondContact O-N 3.41Å
497	L	96.7	Very high	97.2	Very high	55 Å²	55	43.2 Å²	43.2	29%	0.288	22%	0.216	S	C	.	.	H	α-helix	trans	-69.7	-53.1	172.1	177	63.7	0	0	0	110.9	N466 T493 I494 Q495 N499 K500 D501	N466-L497 HydrophobicContact CB-CD2 3.8Å; T493-L497 WeakPolarHBondContact O-CB 3.48Å; T493-L497 PolarHBondContact O-N 3.45Å; I494-L497 HydrophobicContact CD1-CD2 4.28Å; I494-L497 WeakPolarHBondContact O-CB 3.45Å; I494-L497 PolarHBondContact O-N 2.71Å; Q495-L497 VanDerWaalsContact C-N 3.33Å; Q495-L497 PolarHBondContact O-N 3.36Å; L497-N499 VanDerWaalsContact C-N 3.35Å; L497-N499 PolarHBondContact O-N 3.24Å; L497-K500 PolarHBondContact O-N 3.09Å; L497-D501 PolarHBondContact O-N 3.15Å
498	M	97.6	Very high	97.1	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-59.2	-43.7	179.4	-68.9	-169.9	-68.5	0	0	112	F402 F415 L419 N427 I428 W431 I494 Q495 K500 D501 S502 Y503	F402-M498 HydrophobicContact CE1-CB 3.86Å; F402-M498 HydrophobicContact CE1-CE 4.5Å; F402-M498 HydrophobicContact CE2-CB 4.42Å; F402-M498 HydrophobicContact CZ-CB 3.49Å; F402-M498 VanDerWaalsContact CZ-CB 3.49Å; F402-M498 HydrophobicContact CZ-CE 4.14Å; F402-M498 HydrophobicContact CZ-SD 4.45Å; F415-M498 HydrophobicContact CE1-SD 4.05Å; F415-M498 HydrophobicContact CZ-CB 4.37Å; L419-M498 HydrophobicContact CD1-SD 4.04Å; N427-M498 HydrophobicContact CB-CG 3.91Å; N427-M498 HydrophobicContact CB-SD 3.77Å; I428-M498 HydrophobicContact CB-SD 4.03Å; I428-M498 HydrophobicContact CD1-CE 4.11Å; I428-M498 HydrophobicContact CD1-SD 4.41Å; W431-M498 HydrophobicContact CB-CE 3.96Å; W431-M498 HydrophobicContact CG-CE 4.21Å; I494-M498 HydrophobicContact CG2-CE 4.19Å; I494-M498 WeakPolarHBondContact O-CG 3.28Å; I494-M498 PolarHBondContact O-N 2.65Å; Q495-M498 PolarHBondContact O-N 3.29Å; M498-K500 PolarHBondContact O-N 2.93Å; M498-D501 PolarHBondContact O-N 2.82Å; M498-S502 PolarHBondContact O-N 3.29Å; M498-Y503 VanDerWaalsContact O-CB 3.31Å; M498-Y503 WeakPolarHBondContact O-CB 3.16Å; M498-Y503 PolarHBondContact O-N 3.36Å
499	N	97.5	Very high	97	Very high	51 Å²	51	50.5 Å²	50.5	27%	0.273	24%	0.242	S	C	.	.	H	α-helix	trans	-60	-41.8	178.5	-166.3	-18.3	0	0	0	112.5	F402 Q495 L497 Y503	F402-N499 HydrophobicContact CB-CB 4.22Å; F402-N499 HydrophobicContact CD1-CB 3.47Å; F402-N499 VanDerWaalsContact CD1-CB 3.47Å; F402-N499 HydrophobicContact CE1-CB 3.99Å; F402-N499 HydrophobicContact CG-CB 3.98Å; Q495-N499 VanDerWaalsContact O-CB 3.27Å; Q495-N499 WeakPolarHBondContact O-CB 3.21Å; Q495-N499 PolarHBondContact O-N 2.86Å; L497-N499 VanDerWaalsContact C-N 3.35Å; L497-N499 PolarHBondContact O-N 3.24Å; N499-Y503 WeakPolarHBondContact OD1-CD1 3.39Å
500	K	96.2	Very high	96.8	Very high	172 Å²	172	50.7 Å²	50.7	75%	0.748	25%	0.249	S	C	*	.	H	α-helix	trans	-75.8	-27.6	-176.4	-73.2	171.3	-171	170	0	113.9	G496 L497 M498 Q504	G496-K500 WeakPolarHBondContact O-CB 3.39Å; G496-K500 VanDerWaalsContact O-CD 3.26Å; G496-K500 WeakPolarHBondContact O-CD 3.32Å; G496-K500 WeakPolarHBondContact O-CG 3.4Å; G496-K500 PolarHBondContact O-N 3.41Å; L497-K500 PolarHBondContact O-N 3.09Å; M498-K500 PolarHBondContact O-N 2.93Å; K500-Q504 WeakPolarHBondContact O-CG 3.44Å
501	D	96.4	Very high	96.5	Very high	70 Å²	70	50.7 Å²	50.7	37%	0.374	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	-77.2	-171.2	-177.1	26.7	0	0	0	112.4	L497 M498 Y503 Q504 R505	L497-D501 PolarHBondContact O-N 3.15Å; M498-D501 PolarHBondContact O-N 2.82Å; D501-Y503 VanDerWaalsContact C-N 3.34Å; D501-Y503 PolarHBondContact O-N 3.09Å; D501-Q504 CarbonylContact O-C 3.56Å; D501-Q504 WeakPolarHBondContact O-CA 3.49Å; D501-Q504 WeakPolarHBondContact O-CB 3.2Å; D501-Q504 PolarHBondContact O-N 3.32Å; D501-R505 PolarHBondContact O-N 3.36Å; D501-R505 IonicContact OD1-CZ 3.45Å; D501-R505 IonicContact OD1-NE 2.77Å; D501-R505 PolarHBondContact OD1-NE 3.1Å; D501-R505 IonicContact OD1-NH2 3.32Å; D501-R505 PolarHBondContact OD1-NH2 2.99Å; D501-R505 IonicContact OD2-CZ 3.62Å; D501-R505 IonicContact OD2-NE 3.74Å; D501-R505 IonicContact OD2-NH2 2.73Å; D501-R505 PolarHBondContact OD2-NH2 3.05Å
502	S	97.2	Very high	96.3	Very high	8 Å²	8	50.9 Å²	50.9	6%	0.056	25%	0.25	C	S	.	.	H	α-helix	trans	-59.4	-38.4	-173.2	-49.1	0	0	0	0	114	F418 M498 Q504 R505 F506	F418-S502 VanDerWaalsContact CE1-O 3.31Å; F418-S502 WeakPolarHBondContact CE1-O 3.24Å; M498-S502 PolarHBondContact O-N 3.29Å; S502-Q504 VanDerWaalsContact C-N 3.35Å; S502-R505 PolarHBondContact O-N 3.22Å; S502-F506 WeakPolarHBondContact O-CB 3.34Å; S502-F506 PolarHBondContact O-N 3.21Å
503	Y	97.8	Very high	96	Very high	10 Å²	10	51.4 Å²	51.4	4%	0.039	25%	0.251	C	S	.	.	H	α-helix	trans	-65.9	-36.4	173.8	169	-118.4	0	0	0	112.2	W398 F402 L405 M498 N499 D501 R505 F506 L507	W398-Y503 WeakPolarHBondContact O-CE2 3.33Å; W398-Y503 PolarHBondContact O-OH 2.92Å; F402-Y503 HydrophobicContact CB-CD1 3.77Å; F402-Y503 HydrophobicContact CB-CD2 4.31Å; F402-Y503 HydrophobicContact CB-CE1 3.77Å; F402-Y503 HydrophobicContact CB-CE2 4.28Å; F402-Y503 HydrophobicContact CB-CG 4.05Å; F402-Y503 HydrophobicContact CD2-CD1 4.09Å; F402-Y503 AromaticContact CD2-CD2 3.55Å; F402-Y503 HydrophobicContact CD2-CD2 3.55Å; F402-Y503 HydrophobicContact CD2-CE2 4.17Å; F402-Y503 AromaticContact CD2-CG 3.49Å; F402-Y503 HydrophobicContact CD2-CG 3.49Å; F402-Y503 VanDerWaalsContact CD2-CG 3.49Å; F402-Y503 HydrophobicContact CE2-CD2 4.33Å; F402-Y503 HydrophobicContact CE2-CG 4.24Å; F402-Y503 HydrophobicContact CG-CD1 4.17Å; F402-Y503 HydrophobicContact CG-CD2 4.34Å; F402-Y503 HydrophobicContact CG-CG 4.03Å; F402-Y503 PolarHBondContact N-OH 3.05Å; L405-Y503 HydrophobicContact CD2-CD2 3.65Å; L405-Y503 HydrophobicContact CD2-CE2 3.93Å; M498-Y503 VanDerWaalsContact O-CB 3.31Å; M498-Y503 WeakPolarHBondContact O-CB 3.16Å; M498-Y503 PolarHBondContact O-N 3.36Å; N499-Y503 WeakPolarHBondContact OD1-CD1 3.39Å; D501-Y503 VanDerWaalsContact C-N 3.34Å; D501-Y503 PolarHBondContact O-N 3.09Å; Y503-R505 VanDerWaalsContact C-N 3.31Å; Y503-F506 HydrophobicContact CD2-CD1 4.47Å; Y503-F506 PolarHBondContact O-N 3.24Å; Y503-L507 HydrophobicContact CD2-CD1 4.3Å; Y503-L507 HydrophobicContact CD2-CG 4.23Å; Y503-L507 HydrophobicContact CE1-CD1 4.21Å; Y503-L507 HydrophobicContact CE2-CD1 3.61Å; Y503-L507 HydrophobicContact CE2-CD2 4.29Å; Y503-L507 HydrophobicContact CE2-CG 3.87Å; Y503-L507 PolarHBondContact O-N 3.31Å; Y503-L507 VanDerWaalsContact O-N 3.12Å
504	Q	97.2	Very high	95.7	Very high	65 Å²	65	53.4 Å²	53.4	30%	0.304	26%	0.257	S	S	.	.	H	α-helix	trans	-68.4	-31.8	173.9	-62.9	-57	-44.5	0	0	112	K500 D501 S502 R508	K500-Q504 WeakPolarHBondContact O-CG 3.44Å; D501-Q504 CarbonylContact O-C 3.56Å; D501-Q504 WeakPolarHBondContact O-CA 3.49Å; D501-Q504 WeakPolarHBondContact O-CB 3.2Å; D501-Q504 PolarHBondContact O-N 3.32Å; S502-Q504 VanDerWaalsContact C-N 3.35Å; Q504-R508 WeakPolarHBondContact O-CD 3.37Å; Q504-R508 WeakPolarHBondContact O-CG 3.34Å; Q504-R508 PolarHBondContact O-NH1 3.14Å
505	R	97.1	Very high	95.3	Very high	92 Å²	92	53.6 Å²	53.6	35%	0.347	26%	0.258	S	S	.	.	H	α-helix	trans	-76.1	-41.4	172.8	-68.7	-170.9	-87.3	125.7	1.6	111.8	F418 E422 D501 S502 Y503 R508 S509	F418-R505 HydrophobicContact CE1-CB 4.43Å; F418-R505 HydrophobicContact CZ-CB 3.85Å; E422-R505 IonicContact OE1-CZ 3.73Å; E422-R505 IonicContact OE1-NH1 2.7Å; E422-R505 PolarHBondContact OE1-NH1 2.96Å; E422-R505 IonicContact OE2-CZ 3.43Å; E422-R505 IonicContact OE2-NH1 2.66Å; E422-R505 PolarHBondContact OE2-NH1 3.3Å; E422-R505 IonicContact OE2-NH2 3.84Å; D501-R505 PolarHBondContact O-N 3.36Å; D501-R505 IonicContact OD1-CZ 3.45Å; D501-R505 IonicContact OD1-NE 2.77Å; D501-R505 PolarHBondContact OD1-NE 3.1Å; D501-R505 IonicContact OD1-NH2 3.32Å; D501-R505 PolarHBondContact OD1-NH2 2.99Å; D501-R505 IonicContact OD2-CZ 3.62Å; D501-R505 IonicContact OD2-NE 3.74Å; D501-R505 IonicContact OD2-NH2 2.73Å; D501-R505 PolarHBondContact OD2-NH2 3.05Å; S502-R505 PolarHBondContact O-N 3.22Å; Y503-R505 VanDerWaalsContact C-N 3.31Å; R505-R508 CarbonylContact O-C 3.55Å; R505-R508 PolarHBondContact O-N 3.35Å; R505-R508 VanDerWaalsContact O-N 3.08Å; R505-S509 PolarHBondContact O-N 3.17Å
506	F	97.3	Very high	94.9	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-52.8	-57.2	174.8	173.1	-110.6	0	0	0	112	W398 L405 F415 F418 S502 Y503 R508 S509 F511 Y512	W398-F506 HydrophobicContact CE3-CE1 4.34Å; W398-F506 HydrophobicContact CE3-CZ 4.2Å; W398-F506 HydrophobicContact CZ3-CZ 4.43Å; L405-F506 HydrophobicContact CD1-CE1 3.82Å; L405-F506 HydrophobicContact CD1-CZ 4.23Å; L405-F506 HydrophobicContact CD2-CD1 3.94Å; L405-F506 HydrophobicContact CD2-CE1 3.8Å; F415-F506 HydrophobicContact CD2-CB 3.91Å; F415-F506 HydrophobicContact CD2-CD1 4.07Å; F415-F506 AromaticContact CD2-CD2 3.98Å; F415-F506 HydrophobicContact CD2-CD2 3.98Å; F415-F506 HydrophobicContact CD2-CE2 4.49Å; F415-F506 AromaticContact CD2-CG 3.73Å; F415-F506 HydrophobicContact CD2-CG 3.73Å; F415-F506 HydrophobicContact CE2-CB 3.92Å; F415-F506 HydrophobicContact CE2-CG 4.26Å; F418-F506 HydrophobicContact CB-CD2 3.74Å; F418-F506 HydrophobicContact CB-CE2 4.23Å; F418-F506 HydrophobicContact CD1-CB 3.77Å; F418-F506 AromaticContact CD1-CD2 3.99Å; F418-F506 HydrophobicContact CD1-CD2 3.99Å; F418-F506 HydrophobicContact CD1-CG 4.34Å; F418-F506 HydrophobicContact CD2-CD2 4.17Å; F418-F506 HydrophobicContact CE1-CB 3.76Å; F418-F506 HydrophobicContact CG-CB 4.21Å; F418-F506 AromaticContact CG-CD2 3.68Å; F418-F506 HydrophobicContact CG-CD2 3.68Å; F418-F506 HydrophobicContact CG-CG 4.43Å; F418-F506 HydrophobicContact CZ-CB 4.18Å; S502-F506 WeakPolarHBondContact O-CB 3.34Å; S502-F506 PolarHBondContact O-N 3.21Å; Y503-F506 HydrophobicContact CD2-CD1 4.47Å; Y503-F506 PolarHBondContact O-N 3.24Å; F506-R508 PolarHBondContact O-N 3.24Å; F506-S509 WeakPolarHBondContact O-CB 3.43Å; F506-S509 PolarHBondContact O-N 3.29Å; F506-S509 PolarHBondContact O-OG 3.23Å; F506-F511 HydrophobicContact CD2-CD1 4.37Å; F506-F511 HydrophobicContact CE2-CD1 4Å; F506-F511 AromaticContact CE2-CE1 4Å; F506-F511 HydrophobicContact CE2-CE1 4Å; F506-Y512 HydrophobicContact CD1-CD2 4.39Å; F506-Y512 AromaticContact CE1-CD2 3.7Å; F506-Y512 HydrophobicContact CE1-CD2 3.7Å; F506-Y512 HydrophobicContact CE1-CE2 4.11Å; F506-Y512 HydrophobicContact CE1-CG 4.44Å; F506-Y512 HydrophobicContact CE2-CD2 4.23Å; F506-Y512 AromaticContact CZ-CD2 3.62Å; F506-Y512 HydrophobicContact CZ-CD2 3.62Å; F506-Y512 HydrophobicContact CZ-CE2 4.26Å; F506-Y512 HydrophobicContact CZ-CG 4.49Å; F506-Y512 WeakPolarHBondContact O-CB 3.37Å
507	L	96.5	Very high	94.4	Very high	40 Å²	40	56.3 Å²	56.3	21%	0.209	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-11.8	-179.7	-67	-177.3	0	0	0	114.5	E399 Y503 Y512	E399-L507 HydrophobicContact CG-CD2 4.07Å; Y503-L507 HydrophobicContact CD2-CD1 4.3Å; Y503-L507 HydrophobicContact CD2-CG 4.23Å; Y503-L507 HydrophobicContact CE1-CD1 4.21Å; Y503-L507 HydrophobicContact CE2-CD1 3.61Å; Y503-L507 HydrophobicContact CE2-CD2 4.29Å; Y503-L507 HydrophobicContact CE2-CG 3.87Å; Y503-L507 PolarHBondContact O-N 3.31Å; Y503-L507 VanDerWaalsContact O-N 3.12Å; L507-Y512 HydrophobicContact CD2-CD1 4.07Å; L507-Y512 HydrophobicContact CD2-CD2 4.4Å; L507-Y512 HydrophobicContact CD2-CE1 3.79Å; L507-Y512 HydrophobicContact CD2-CE2 4.15Å; L507-Y512 HydrophobicContact CD2-CG 4.39Å
508	R	94.8	Very high	93.9	Very high	179 Å²	179	57 Å²	57	68%	0.675	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	-0.8	177.4	-66.3	176.7	179.2	78	-3.1	113.3	Q504 R505 F506	Q504-R508 WeakPolarHBondContact O-CD 3.37Å; Q504-R508 WeakPolarHBondContact O-CG 3.34Å; Q504-R508 PolarHBondContact O-NH1 3.14Å; R505-R508 CarbonylContact O-C 3.55Å; R505-R508 PolarHBondContact O-N 3.35Å; R505-R508 VanDerWaalsContact O-N 3.08Å; F506-R508 PolarHBondContact O-N 3.24Å
509	S	94.6	Very high	93.4	Very high	21 Å²	21	57.2 Å²	57.2	15%	0.147	27%	0.269	C	S	.	.	S	Bend	trans	-76.3	154.4	-176.9	67.2	0	0	0	0	112	R505 F506 F511 Y512 F513	R505-S509 PolarHBondContact O-N 3.17Å; F506-S509 WeakPolarHBondContact O-CB 3.43Å; F506-S509 PolarHBondContact O-N 3.29Å; F506-S509 PolarHBondContact O-OG 3.23Å; S509-F511 PolarHBondContact O-N 3.4Å; S509-Y512 PolarHBondContact O-N 2.98Å; S509-Y512 WeakPolarHBondContact OG-CB 3.4Å; S509-Y512 PolarHBondContact OG-N 3.02Å; S509-F513 PolarHBondContact O-N 3.27Å; S509-F513 VanDerWaalsContact O-N 3.15Å
510	S	93.1	Very high	92.5	Very high	77 Å²	77	58.5 Å²	58.5	54%	0.538	27%	0.27	S	S	.	.	H	α-helix	trans	-60.9	-39.9	170.6	75.8	0	0	0	0	110.5	Y512 F513 E514	S510-Y512 PolarHBondContact O-N 3.37Å; S510-F513 CarbonylContact O-C 3.5Å; S510-F513 WeakPolarHBondContact O-CA 3.4Å; S510-F513 WeakPolarHBondContact O-CB 3.41Å; S510-F513 PolarHBondContact O-N 3.07Å; S510-E514 VanDerWaalsContact C-OE1 3.24Å; S510-E514 WeakPolarHBondContact CB-OE1 3.24Å; S510-E514 WeakPolarHBondContact O-CB 3.19Å; S510-E514 VanDerWaalsContact O-CG 3.22Å; S510-E514 WeakPolarHBondContact O-CG 3.43Å; S510-E514 PolarHBondContact O-N 2.91Å; S510-E514 PolarHBondContact OG-OE1 3.41Å
511	F	91.1	Very high	91.4	Very high	1 Å²	1	57.2 Å²	57.2	0%	0.004	27%	0.266	C	S	.	.	H	α-helix	trans	-46.2	-55.2	172.3	-176	-108.7	0	0	0	113.7	P382 L384 Q414 H417 F418 F506 S509 F513 E514 L515	P382-F511 HydrophobicContact CB-CB 4.5Å; P382-F511 HydrophobicContact CB-CD2 3.56Å; P382-F511 HydrophobicContact CB-CE2 3.79Å; P382-F511 HydrophobicContact CB-CG 4.08Å; P382-F511 HydrophobicContact CG-CB 3.74Å; P382-F511 HydrophobicContact CG-CD2 3.7Å; P382-F511 HydrophobicContact CG-CE2 4.42Å; P382-F511 HydrophobicContact CG-CG 3.86Å; P382-F511 WeakPolarHBondContact O-CD2 3.34Å; L384-F511 HydrophobicContact CD2-CD2 3.64Å; L384-F511 HydrophobicContact CD2-CE2 3.59Å; L384-F511 HydrophobicContact CD2-CG 4.28Å; L384-F511 HydrophobicContact CD2-CZ 4.11Å; L384-F511 HydrophobicContact CG-CD2 4.19Å; L384-F511 HydrophobicContact CG-CE2 4.15Å; Q414-F511 HydrophobicContact CB-CE1 4.07Å; Q414-F511 HydrophobicContact CB-CZ 4.38Å; Q414-F511 VanDerWaalsContact O-CE1 3.29Å; Q414-F511 WeakPolarHBondContact O-CE1 3.42Å; H417-F511 HydrophobicContact CB-CZ 4.42Å; H417-F511 AromaticContact CD2-CE2 3.67Å; H417-F511 AromaticContact CD2-CZ 3.73Å; F418-F511 HydrophobicContact CB-CD1 4.18Å; F418-F511 HydrophobicContact CB-CE1 4.15Å; F506-F511 HydrophobicContact CD2-CD1 4.37Å; F506-F511 HydrophobicContact CE2-CD1 4Å; F506-F511 AromaticContact CE2-CE1 4Å; F506-F511 HydrophobicContact CE2-CE1 4Å; S509-F511 PolarHBondContact O-N 3.4Å; F511-F513 VanDerWaalsContact C-N 3.34Å; F511-F513 PolarHBondContact O-N 3.24Å; F511-E514 PolarHBondContact O-N 3.49Å; F511-L515 WeakPolarHBondContact O-CB 3.45Å; F511-L515 PolarHBondContact O-N 3.23Å
512	Y	93.1	Very high	89.9	Confident	6 Å²	6	57 Å²	57	2%	0.024	27%	0.274	C	S	.	.	H	α-helix	trans	-69	-33.7	179.6	-175.3	-102.2	0	0	0	112.1	L395 W398 E399 F506 L507 S509 S510 L515 K516	L395-Y512 HydrophobicContact CD2-CE2 3.67Å; L395-Y512 PolarHBondContact O-OH 2.83Å; W398-Y512 AromaticContact CE3-CE2 3.97Å; W398-Y512 HydrophobicContact CE3-CE2 3.97Å; E399-Y512 HydrophobicContact CG-CE1 4.09Å; E399-Y512 WeakPolarHBondContact CG-OH 3.31Å; E399-Y512 VanDerWaalsContact OE1-CE1 3.23Å; E399-Y512 WeakPolarHBondContact OE1-CE1 2.96Å; E399-Y512 PolarHBondContact OE1-OH 3.33Å; F506-Y512 HydrophobicContact CD1-CD2 4.39Å; F506-Y512 AromaticContact CE1-CD2 3.7Å; F506-Y512 HydrophobicContact CE1-CD2 3.7Å; F506-Y512 HydrophobicContact CE1-CE2 4.11Å; F506-Y512 HydrophobicContact CE1-CG 4.44Å; F506-Y512 HydrophobicContact CE2-CD2 4.23Å; F506-Y512 AromaticContact CZ-CD2 3.62Å; F506-Y512 HydrophobicContact CZ-CD2 3.62Å; F506-Y512 HydrophobicContact CZ-CE2 4.26Å; F506-Y512 HydrophobicContact CZ-CG 4.49Å; F506-Y512 WeakPolarHBondContact O-CB 3.37Å; L507-Y512 HydrophobicContact CD2-CD1 4.07Å; L507-Y512 HydrophobicContact CD2-CD2 4.4Å; L507-Y512 HydrophobicContact CD2-CE1 3.79Å; L507-Y512 HydrophobicContact CD2-CE2 4.15Å; L507-Y512 HydrophobicContact CD2-CG 4.39Å; S509-Y512 PolarHBondContact O-N 2.98Å; S509-Y512 WeakPolarHBondContact OG-CB 3.4Å; S509-Y512 PolarHBondContact OG-N 3.02Å; S510-Y512 PolarHBondContact O-N 3.37Å; Y512-L515 HydrophobicContact CD2-CD2 4.41Å; Y512-K516 HydrophobicContact CE1-CD 4.41Å; Y512-K516 VanDerWaalsContact O-CB 3.26Å; Y512-K516 WeakPolarHBondContact O-CB 3.12Å; Y512-K516 PolarHBondContact O-N 2.88Å
513	F	92.4	Very high	87.8	Confident	124 Å²	124	65.2 Å²	65.2	54%	0.544	31%	0.305	S	S	.	.	H	α-helix	trans	-66.3	-42.9	173.3	-177.7	-97.2	0	0	0	112.4	S509 S510 F511 K516 Q517	S509-F513 PolarHBondContact O-N 3.27Å; S509-F513 VanDerWaalsContact O-N 3.15Å; S510-F513 CarbonylContact O-C 3.5Å; S510-F513 WeakPolarHBondContact O-CA 3.4Å; S510-F513 WeakPolarHBondContact O-CB 3.41Å; S510-F513 PolarHBondContact O-N 3.07Å; F511-F513 VanDerWaalsContact C-N 3.34Å; F511-F513 PolarHBondContact O-N 3.24Å; F513-K516 CarbonylContact O-C 3.44Å; F513-K516 WeakPolarHBondContact O-CB 3.19Å; F513-K516 PolarHBondContact O-N 2.77Å; F513-Q517 HydrophobicContact CD1-CG 4.13Å; F513-Q517 HydrophobicContact CE1-CG 3.85Å; F513-Q517 HydrophobicContact CZ-CG 4.18Å; F513-Q517 WeakPolarHBondContact O-CG 3.36Å; F513-Q517 PolarHBondContact O-N 2.85Å
514	E	89.7	Confident	85.5	Confident	85 Å²	85	69.4 Å²	69.4	40%	0.397	33%	0.334	S	S	.	.	H	α-helix	trans	-64.7	-45	176.8	-68.3	160.3	-131.9	0	0	110.5	L384 S510 F511 K516 Q517 L518	L384-E514 HydrophobicContact CD1-CB 3.94Å; S510-E514 VanDerWaalsContact C-OE1 3.24Å; S510-E514 WeakPolarHBondContact CB-OE1 3.24Å; S510-E514 WeakPolarHBondContact O-CB 3.19Å; S510-E514 VanDerWaalsContact O-CG 3.22Å; S510-E514 WeakPolarHBondContact O-CG 3.43Å; S510-E514 PolarHBondContact O-N 2.91Å; S510-E514 PolarHBondContact OG-OE1 3.41Å; F511-E514 PolarHBondContact O-N 3.49Å; E514-K516 VanDerWaalsContact C-N 3.3Å; E514-K516 PolarHBondContact O-N 2.79Å; E514-Q517 PolarHBondContact O-N 3.44Å; E514-L518 WeakPolarHBondContact O-CG 3.39Å; E514-L518 PolarHBondContact O-N 3.45Å
515	L	89.2	Confident	83.3	Confident	3 Å²	3	70.7 Å²	70.7	2%	0.016	34%	0.34	C	S	.	.	H	α-helix	trans	-56.2	-44.8	171	-171.2	68.8	0	0	0	111.2	L384 P390 L395 W398 Q414 F511 Y512 L518 V519	L384-L515 HydrophobicContact CD2-CB 3.8Å; L384-L515 HydrophobicContact CD2-CD1 4Å; L384-L515 HydrophobicContact CD2-CG 4.45Å; P390-L515 HydrophobicContact CG-CD1 4.25Å; P390-L515 HydrophobicContact CG-CD2 4.13Å; P390-L515 HydrophobicContact CG-CG 4.2Å; L395-L515 HydrophobicContact CD2-CD2 3.94Å; L395-L515 HydrophobicContact CD2-CG 4.26Å; W398-L515 HydrophobicContact CH2-CD2 4.36Å; W398-L515 HydrophobicContact CZ3-CD2 3.71Å; Q414-L515 HydrophobicContact CB-CD2 4.33Å; Q414-L515 HydrophobicContact CG-CD2 4.01Å; F511-L515 WeakPolarHBondContact O-CB 3.45Å; F511-L515 PolarHBondContact O-N 3.23Å; Y512-L515 HydrophobicContact CD2-CD2 4.41Å; L515-L518 PolarHBondContact O-N 2.85Å; L515-V519 VanDerWaalsContact O-CG2 3.29Å; L515-V519 WeakPolarHBondContact O-CG2 3.28Å; L515-V519 PolarHBondContact O-N 2.87Å; L515-V519 VanDerWaalsContact O-N 3.13Å
516	K	90	Very high	80.5	Confident	55 Å²	55	73.4 Å²	73.4	24%	0.239	36%	0.361	C	S	.	.	H	α-helix	trans	-63.1	-41.9	176.7	-168	168.2	-173.5	163.3	0	112	L395 E399 Y512 F513 E514 V519 W520	L395-K516 HydrophobicContact CD1-CB 4.35Å; L395-K516 HydrophobicContact CD1-CG 4.34Å; E399-K516 WeakPolarHBondContact OE1-CE 3.17Å; E399-K516 IonicContact OE1-NZ 2.69Å; E399-K516 PolarHBondContact OE1-NZ 3.24Å; E399-K516 IonicContact OE2-NZ 2.89Å; E399-K516 PolarHBondContact OE2-NZ 2.89Å; Y512-K516 HydrophobicContact CE1-CD 4.41Å; Y512-K516 VanDerWaalsContact O-CB 3.26Å; Y512-K516 WeakPolarHBondContact O-CB 3.12Å; Y512-K516 PolarHBondContact O-N 2.88Å; F513-K516 CarbonylContact O-C 3.44Å; F513-K516 WeakPolarHBondContact O-CB 3.19Å; F513-K516 PolarHBondContact O-N 2.77Å; E514-K516 VanDerWaalsContact C-N 3.3Å; E514-K516 PolarHBondContact O-N 2.79Å; K516-V519 PolarHBondContact O-N 2.8Å; K516-W520 HydrophobicContact CD-CZ3 4.25Å; K516-W520 HydrophobicContact CG-CD2 4.39Å; K516-W520 HydrophobicContact CG-CE3 3.62Å; K516-W520 HydrophobicContact CG-CH2 4.31Å; K516-W520 HydrophobicContact CG-CZ3 3.58Å; K516-W520 WeakPolarHBondContact O-CB 3.5Å; K516-W520 VanDerWaalsContact O-CE3 3.32Å; K516-W520 PolarHBondContact O-N 3.5Å
517	Q	87.8	Confident	77.8	Confident	68 Å²	68	80.1 Å²	80.1	32%	0.318	39%	0.392	S	S	.	.	H	α-helix	trans	-66.2	-43.8	176.3	-67.1	-65	9.1	0	0	112.3	F513 E514 V519 W520 H521	F513-Q517 HydrophobicContact CD1-CG 4.13Å; F513-Q517 HydrophobicContact CE1-CG 3.85Å; F513-Q517 HydrophobicContact CZ-CG 4.18Å; F513-Q517 WeakPolarHBondContact O-CG 3.36Å; F513-Q517 PolarHBondContact O-N 2.85Å; E514-Q517 PolarHBondContact O-N 3.44Å; Q517-V519 VanDerWaalsContact C-N 3.28Å; Q517-V519 PolarHBondContact O-N 3.47Å; Q517-W520 PolarHBondContact O-N 2.89Å; Q517-H521 WeakPolarHBondContact O-CB 3.27Å; Q517-H521 PolarHBondContact O-CD2 3.29Å; Q517-H521 PolarHBondContact O-N 3.38Å
518	L	86.5	Confident	74.8	Confident	70 Å²	70	87.3 Å²	87.3	37%	0.366	43%	0.425	S	S	.	.	H	α-helix	trans	-54.9	-46.1	174.8	-71.8	-176.3	0	0	0	111.3	L384 Y386 E514 L515 H521 A522	L384-L518 HydrophobicContact CD1-CD1 3.68Å; Y386-L518 HydrophobicContact CD1-CD1 4.42Å; Y386-L518 HydrophobicContact CE1-CD1 3.94Å; E514-L518 WeakPolarHBondContact O-CG 3.39Å; E514-L518 PolarHBondContact O-N 3.45Å; L515-L518 PolarHBondContact O-N 2.85Å; L518-H521 PolarHBondContact O-N 2.79Å; L518-A522 WeakPolarHBondContact O-CB 3.4Å; L518-A522 PolarHBondContact O-N 3.45Å
519	V	85.1	Confident	71.9	Confident	5 Å²	5	81.6 Å²	81.6	3%	0.03	42%	0.416	C	S	.	.	H	α-helix	trans	-74.9	-28.8	-177	175.3	0	0	0	0	112.7	V389 P390 R392 L395 L515 K516 Q517	V389-V519 HydrophobicContact CG1-CG2 3.87Å; P390-V519 HydrophobicContact CG-CG2 4.13Å; P390-V519 VanDerWaalsContact O-CG1 3.25Å; P390-V519 WeakPolarHBondContact O-CG1 3.37Å; P390-V519 WeakPolarHBondContact O-CG2 3.35Å; R392-V519 HydrophobicContact CB-CG1 4.36Å; R392-V519 HydrophobicContact CG-CG1 3.77Å; R392-V519 VanDerWaalsContact N-CG1 3.35Å; L395-V519 HydrophobicContact CD1-CB 3.63Å; L395-V519 HydrophobicContact CD1-CG1 3.68Å; L395-V519 HydrophobicContact CD1-CG2 3.94Å; L515-V519 VanDerWaalsContact O-CG2 3.29Å; L515-V519 WeakPolarHBondContact O-CG2 3.28Å; L515-V519 PolarHBondContact O-N 2.87Å; L515-V519 VanDerWaalsContact O-N 3.13Å; K516-V519 PolarHBondContact O-N 2.8Å; Q517-V519 VanDerWaalsContact C-N 3.28Å; Q517-V519 PolarHBondContact O-N 3.47Å
520	W	80	Confident	69	Low	77 Å²	77	86.2 Å²	86.2	29%	0.292	44%	0.444	S	S	.	.	H	α-helix	trans	-72.8	-40.8	170.6	-102.1	-111.1	0	0	0	112.3	R392 L395 K516 Q517	R392-W520 HydrophobicContact CB-CZ3 4.5Å; R392-W520 HydrophobicContact CG-CD2 4.45Å; R392-W520 HydrophobicContact CG-CE3 4.11Å; R392-W520 HydrophobicContact CG-CZ3 4.25Å; R392-W520 PolarHBondContact NH2-O 2.72Å; L395-W520 HydrophobicContact CB-CZ3 4.44Å; L395-W520 HydrophobicContact CD1-CE3 4.33Å; L395-W520 HydrophobicContact CD1-CZ3 3.91Å; K516-W520 HydrophobicContact CD-CZ3 4.25Å; K516-W520 HydrophobicContact CG-CD2 4.39Å; K516-W520 HydrophobicContact CG-CE3 3.62Å; K516-W520 HydrophobicContact CG-CH2 4.31Å; K516-W520 HydrophobicContact CG-CZ3 3.58Å; K516-W520 WeakPolarHBondContact O-CB 3.5Å; K516-W520 VanDerWaalsContact O-CE3 3.32Å; K516-W520 PolarHBondContact O-N 3.5Å; Q517-W520 PolarHBondContact O-N 2.89Å
521	H	72.2	Confident	66.4	Low	145 Å²	145	91 Å²	91	67%	0.671	45%	0.454	S	S	*	.	H	α-helix	trans	-79	-33.4	-178.6	-68.6	-53.6	0	0	0	114.1	Q517 L518 Y523	Q517-H521 WeakPolarHBondContact O-CB 3.27Å; Q517-H521 PolarHBondContact O-CD2 3.29Å; Q517-H521 PolarHBondContact O-N 3.38Å; L518-H521 PolarHBondContact O-N 2.79Å; H521-Y523 VanDerWaalsContact C-N 3.3Å; H521-Y523 PolarHBondContact O-N 2.92Å
522	A	66.1	Low	63.8	Low	65 Å²	65	94.2 Å²	94.2	54%	0.537	48%	0.477	S	S	.	.	H	α-helix	trans	-67.9	-28.2	179.4	0	0	0	0	0	113.5	L518	L518-A522 WeakPolarHBondContact O-CB 3.4Å; L518-A522 PolarHBondContact O-N 3.45Å
523	Y	51.6	Low	61.1	Low	181 Å²	181	100.7 Å²	100.7	71%	0.71	51%	0.508	S	S	*	.			trans	-137.2	88.7	179.3	-73.5	-82.6	0	0	0	110.7	R392 H521 Q525	R392-Y523 PolarHBondContact NE-O 3.27Å; R392-Y523 PolarHBondContact NH2-O 3.08Å; H521-Y523 VanDerWaalsContact C-N 3.3Å; H521-Y523 PolarHBondContact O-N 2.92Å; Y523-Q525 PolarHBondContact O-N 3.38Å
524	P	50.4	Low	58.4	Low	98 Å²	98	98.6 Å²	98.6	64%	0.636	51%	0.509	S	S	*	.			trans	-60.2	124.7	161.8	26.5	-33	0	0	0	109
525	Q	50	Low	55.9	Low	93 Å²	93	100.3 Å²	100.3	44%	0.435	52%	0.521	S	S	.	.			trans	-74.3	129	171.8	-78.3	171.1	-105.1	0	0	109.5	Y523 E527	Y523-Q525 PolarHBondContact O-N 3.38Å; Q525-E527 HydrophobicContact CB-CG 3.74Å; Q525-E527 PolarHBondContact NE2-OE1 3.45Å; Q525-E527 PolarHBondContact O-N 3.01Å
526	N	39.1	Very low	53.4	Low	149 Å²	149	105.5 Å²	105.5	80%	0.797	55%	0.547	S	S	*	.			trans	-73.6	75.3	163.4	-65.4	-7.6	0	0	0	109.1	E528	N526-E528 PolarHBondContact O-N 2.74Å
527	E	39.9	Very low	51	Low	140 Å²	140	109.1 Å²	109.1	65%	0.654	57%	0.568	S	S	*	*			trans	-75.8	-3	174	-62.8	-162.7	145.9	0	0	112.9	Q525	Q525-E527 HydrophobicContact CB-CG 3.74Å; Q525-E527 PolarHBondContact NE2-OE1 3.45Å; Q525-E527 PolarHBondContact O-N 3.01Å
528	E	35.1	Very low	48.5	Very low	192 Å²	192	113 Å²	113	90%	0.897	59%	0.59	S	S	*	*			trans	-101.2	68.6	175.2	-61.9	-167.3	143.8	0	0	111.9	N526	N526-E528 PolarHBondContact O-N 2.74Å
529	A	33.4	Very low	46	Very low	59 Å²	59	115.1 Å²	115.1	49%	0.488	61%	0.607	S	S	.	*	S	Bend	trans	-135.9	-15.7	174.5	0	0	0	0	0	115.1
530	T	34	Very low	43.6	Very low	118 Å²	118	120.5 Å²	120.5	72%	0.724	64%	0.639	S	S	*	*	S	Bend	trans	-125.5	13.4	-170.8	52.5	0	0	0	0	114.5
531	K	38.5	Very low	41.5	Very low	176 Å²	176	125.2 Å²	125.2	77%	0.765	67%	0.667	S	S	*	*	S	Bend	trans	-112.2	-1.4	173	-70.5	-178.9	-179.5	169.5	0	114
532	S	35.9	Very low	39.8	Very low	69 Å²	69	123 Å²	123	48%	0.483	67%	0.667	S	S	.	*	S	Bend	trans	-90.8	-32.6	178.1	39.9	0	0	0	0	112.8	S534	S532-S534 VanDerWaalsContact C-N 3.35Å; S532-S534 PolarHBondContact O-N 3.15Å
533	E	36.1	Very low	38.3	Very low	142 Å²	142	127 Å²	127	66%	0.664	68%	0.68	S	S	*	*	G	3₁₀ helix	trans	-74.1	-21.3	-174.9	-61.2	-171.6	133.8	0	0	113.9	N535	E533-N535 VanDerWaalsContact C-N 3.28Å; E533-N535 PolarHBondContact O-N 3.44Å
534	S	36.5	Very low	37.5	Very low	81 Å²	81	126 Å²	126	57%	0.566	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-74.1	-13.1	-180	61.6	0	0	0	0	114.7	S532	S532-S534 VanDerWaalsContact C-N 3.35Å; S532-S534 PolarHBondContact O-N 3.15Å
535	N	37.1	Very low	37	Very low	121 Å²	121	130.8 Å²	130.8	65%	0.647	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-110.1	7.6	-174.4	-66.4	4	0	0	0	113.3	E533	E533-N535 VanDerWaalsContact C-N 3.28Å; E533-N535 PolarHBondContact O-N 3.44Å
536	I	36.7	Very low	36.2	Very low	112 Å²	112	130.9 Å²	130.9	57%	0.574	72%	0.718	S	S	*	*	S	Bend	trans	-96.3	-11.1	-175.3	-67.7	174.4	0	0	0	112.2
537	I	38.2	Very low	36.1	Very low	131 Å²	131	132.2 Å²	132.2	67%	0.672	72%	0.719	S	S	*	*	S	Bend	trans	-84	-30.8	-173.7	-63.6	177.3	0	0	0	112.8	T539	I537-T539 PolarHBondContact O-N 2.82Å
538	D	35.9	Very low	35.7	Very low	148 Å²	148	134.4 Å²	134.4	79%	0.791	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	7.1	-173	-71.9	-37.3	0	0	0	115.3
539	T	34.9	Very low	35.6	Very low	115 Å²	115	133.3 Å²	133.3	71%	0.706	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.2	-6.5	-176.8	-49.9	0	0	0	0	114	I537 M541	I537-T539 PolarHBondContact O-N 2.82Å; T539-M541 PolarHBondContact O-N 2.71Å
540	V	33.3	Very low	35.5	Very low	118 Å²	118	137.3 Å²	137.3	72%	0.715	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	12.9	-170	-165.4	0	0	0	0	113.3
541	M	37	Very low	35.6	Very low	177 Å²	177	137.2 Å²	137.2	87%	0.872	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.7	5.9	-166.7	-74.6	-61.6	-68.6	0	0	116.5	T539	T539-M541 PolarHBondContact O-N 2.71Å
542	S	37	Very low	35.4	Very low	97 Å²	97	139.2 Å²	139.2	68%	0.678	73%	0.734	S	S	*	*	S	Bend	trans	-104.2	-46.9	-177.6	174.8	0	0	0	0	114.2	N544	S542-N544 PolarHBondContact O-N 2.89Å
543	D	33.6	Very low	35.5	Very low	150 Å²	150	142.3 Å²	142.3	80%	0.802	75%	0.745	S	S	*	*			trans	-96.9	72.1	-154.7	-64.6	-8.6	0	0	0	113.1
544	N	34.2	Very low	35.6	Very low	161 Å²	161	141.4 Å²	141.4	86%	0.861	75%	0.752	S	S	*	*			trans	-144.7	49	175.1	-123.4	-32.6	0	0	0	114.2	S542	S542-N544 PolarHBondContact O-N 2.89Å
545	Q	39.8	Very low	35.7	Very low	197 Å²	197	144.6 Å²	144.6	92%	0.921	77%	0.768	S	S	*	*			trans	-126.2	95.8	159.6	-73.1	-164.7	4.4	0	0	111
546	A	33.4	Very low	35.7	Very low	96 Å²	96	144 Å²	144	79%	0.793	77%	0.769	S	S	*	*			trans	-82.9	131.6	167.1	0	0	0	0	0	110.5
547	Q	37.1	Very low	35.8	Very low	177 Å²	177	144.5 Å²	144.5	83%	0.827	77%	0.773	S	S	*	*			trans	-153.7	117.3	141.9	-80.9	-144.9	-6.6	0	0	113.4
548	Y	33.1	Very low	35.6	Very low	186 Å²	186	144.6 Å²	144.6	73%	0.729	77%	0.774	S	S	*	*			trans	56.8	108.7	141.3	-69.6	-94.6	0	0	0	123.8
549	F	33	Very low	35.7	Very low	168 Å²	168	143.3 Å²	143.3	74%	0.737	77%	0.772	S	S	*	*				78.3	104.9	126.8	-87.2	-118.8	0	0	0	122.8
550	L	31.1	Very low	35.9	Very low	144 Å²	144	142.9 Å²	142.9	75%	0.754	77%	0.774	S	S	*	*				43.2	112.8	125.2	-57.9	178.2	0	0	0	120.2
551	S	34.6	Very low	36	Very low	115 Å²	115	142.7 Å²	142.7	80%	0.804	78%	0.778	S	S	*	*				172.1	139.3	99.9	-76.6	0	0	0	0	115.9
552	R	35.5	Very low	36.2	Very low	218 Å²	218	139.5 Å²	139.5	82%	0.823	77%	0.77	S	S	*	*			trans	66.8	109.1	146.8	-70.5	-167.7	146.4	136.4	-0.8	123.2
553	D	37.9	Very low	35.9	Very low	134 Å²	134	140.8 Å²	140.8	72%	0.717	78%	0.778	S	S	*	*				67.8	131.9	115.1	-47	-19.1	0	0	0	121.6
554	P	38.7	Very low	36	Very low	124 Å²	124	137.5 Å²	137.5	81%	0.805	77%	0.766	S	S	*	*			trans	-104.4	163	-176.6	40.6	-36	0	0	0	115.4
555	V	38.1	Very low	36.1	Very low	147 Å²	147	137.6 Å²	137.6	89%	0.891	76%	0.762	S	S	*	*			trans	-140.5	155	165.6	-178.1	0	0	0	0	110.2
556	T	37.2	Very low	36.1	Very low	110 Å²	110	137.1 Å²	137.1	68%	0.675	76%	0.759	S	S	*	*			trans	-86.1	159.7	-174.1	46.3	0	0	0	0	114.8
557	D	37.6	Very low	36.2	Very low	122 Å²	122	140.4 Å²	140.4	65%	0.652	76%	0.758	S	S	*	*				152.8	135.9	110	-87.8	-58.1	0	0	0	115
558	N	35.3	Very low	36.4	Very low	132 Å²	132	139.1 Å²	139.1	71%	0.706	75%	0.752	S	S	*	*			trans	46	151.9	139.7	-47.3	-40.7	0	0	0	121
559	T	37.6	Very low	36.6	Very low	121 Å²	121	135.8 Å²	135.8	74%	0.742	75%	0.751	S	S	*	*			cis	-163.1	153.9	19.9	-23.1	0	0	0	0	112
560	S	38	Very low	36.8	Very low	106 Å²	106	136.8 Å²	136.8	74%	0.741	76%	0.755	S	S	*	*			trans	38.3	128.7	146.4	61.6	0	0	0	0	123.7
561	S	37.3	Very low	37.2	Very low	114 Å²	114	138.4 Å²	138.4	80%	0.797	76%	0.758	S	S	*	*				166.8	137.3	102.8	-164.3	0	0	0	0	114.2
562	P	39.1	Very low	37.1	Very low	111 Å²	111	141.3 Å²	141.3	72%	0.721	76%	0.757	S	S	*	*			trans	-117.1	-170	169.7	41.2	-30.9	0	0	0	114.2
563	C	32.2	Very low	37.1	Very low	124 Å²	124	140.2 Å²	140.2	84%	0.838	75%	0.753	S	S	*	*			trans	83.8	148.6	179.5	-59.4	0	0	0	0	116.3
564	S	36.2	Very low	37.1	Very low	80 Å²	80	143.8 Å²	143.8	56%	0.559	76%	0.756	S	S	*	*			cis	-167.6	172.3	-13.2	48.5	0	0	0	0	111.7
565	E	36	Very low	37	Very low	164 Å²	164	142.4 Å²	142.4	77%	0.766	75%	0.749	S	S	*	*			trans	60.5	165.3	164	-75	101.5	-148	0	0	118.4
566	E	38.8	Very low	37	Very low	186 Å²	186	141.2 Å²	141.2	87%	0.869	75%	0.748	S	S	*	*			cis	-146.4	-177.6	3.2	-141.3	167.4	-157.2	0	0	112.8
567	E	36.4	Very low	37.2	Very low	165 Å²	165	141.8 Å²	141.8	77%	0.771	75%	0.753	S	S	*	*			trans	-90.1	172.9	-165.6	-59.6	-174.3	100.3	0	0	118.2
568	H	39.7	Very low	37	Very low	151 Å²	151	140.6 Å²	140.6	70%	0.699	76%	0.761	S	S	*	*				123	151.2	114.3	-131.8	-144	0	0	0	121.1
569	V	38.1	Very low	37	Very low	115 Å²	115	138.3 Å²	138.3	70%	0.697	76%	0.76	S	S	*	*			trans	65.1	107.2	166.4	-171.6	0	0	0	0	117.5
570	K	38	Very low	36.7	Very low	190 Å²	190	143.2 Å²	143.2	83%	0.826	77%	0.766	S	S	*	*				68.2	119.6	62.3	-75.5	-179.1	175.6	166.6	0	117.6
571	E	37.9	Very low	36.5	Very low	177 Å²	177	143.5 Å²	143.5	83%	0.827	77%	0.768	S	S	*	*			trans	-157	162.1	137.7	-167.6	45	-101.9	0	0	110.6
572	F	33.4	Very low	36	Very low	177 Å²	177	145.6 Å²	145.6	78%	0.776	77%	0.77	S	S	*	*			trans	-113.7	153.1	-164.4	-130.1	-112.8	0	0	0	112.9
573	R	36.7	Very low	35.5	Very low	195 Å²	195	146.9 Å²	146.9	74%	0.736	78%	0.777	S	S	*	*				163.4	133	122	-90.3	166.1	-170.1	-150.5	2	115.7
574	R	36.1	Very low	35.7	Very low	209 Å²	209	149 Å²	149	79%	0.789	78%	0.778	S	S	*	*			trans	63.3	148.3	139.8	-67.3	177.8	-178.4	-171.2	-1.7	120.1
575	S	37.9	Very low	35.4	Very low	94 Å²	94	154.8 Å²	154.8	66%	0.657	79%	0.793	S	S	*	*			cis	-176.9	125.3	-29.3	46.2	0	0	0	0	111.2
576	S	37.3	Very low	35.8	Very low	122 Å²	122	152.4 Å²	152.4	85%	0.853	79%	0.792	S	S	*	*			trans	69	159.5	146.6	-63.4	0	0	0	0	121.6
577	P	41.4	Very low	35.5	Very low	123 Å²	123	152.2 Å²	152.2	80%	0.799	79%	0.788	S	S	*	*			trans	-127.9	176.5	-156	43.4	-28.6	0	0	0	115.5
578	A	33.5	Very low	35.5	Very low	97 Å²	97	151.8 Å²	151.8	80%	0.802	79%	0.786	S	S	*	*			trans	175.3	166	137.7	0	0	0	0	0	114.1
579	A	35.1	Very low	35.2	Very low	83 Å²	83	150.5 Å²	150.5	69%	0.686	79%	0.789	S	S	*	*			trans	87.5	108.8	145.9	0	0	0	0	0	122.6
580	Y	30.6	Very low	34.7	Very low	225 Å²	225	149 Å²	149	88%	0.882	79%	0.789	S	S	*	*				49.7	112.3	126.8	-73.5	-84	0	0	0	121.8
581	S	34	Very low	34.5	Very low	111 Å²	111	147.5 Å²	147.5	78%	0.776	79%	0.788	S	S	*	*				164.1	136.2	97.9	-70.8	0	0	0	0	113.5
582	N	28.2	Very low	34.1	Very low	158 Å²	158	143.2 Å²	143.2	85%	0.845	78%	0.778	S	S	*	*			trans	-92.5	134.3	161.6	-76.3	-25.7	0	0	0	109.9
583	T	28.8	Very low	34.1	Very low	139 Å²	139	143.5 Å²	143.5	85%	0.853	78%	0.781	S	S	*	*			trans	160.4	119.9	132.2	43.6	0	0	0	0	111.2
584	I	35.3	Very low	33.6	Very low	169 Å²	169	142.4 Å²	142.4	87%	0.867	78%	0.784	S	S	*	*			trans	-138.5	123.8	147.9	-61.4	-175.2	0	0	0	108.7
585	F	30.8	Very low	33.5	Very low	201 Å²	201	139.1 Å²	139.1	88%	0.882	79%	0.788	S	S	*	*			trans	-120.4	156.9	161.6	-113.1	-75.2	0	0	0	106.7
586	P	44	Very low	33	Very low	113 Å²	113	141.6 Å²	141.6	73%	0.734	79%	0.794	S	S	*	*			trans	-127.7	136.8	149.9	28.1	-12.3	0	0	0	113.6
587	K	32.9	Very low	32.7	Very low	183 Å²	183	144 Å²	144	80%	0.796	80%	0.796	S	S	*	*			trans	-76.7	-179.5	149.7	-55.7	177.7	-179.5	176.4	0	107.4
588	Q	35.8	Very low	32	Very low	155 Å²	155	145.8 Å²	145.8	72%	0.724	79%	0.794	S	S	*	*			cis	-164.1	178.4	20.2	-147.9	153.4	-101.8	0	0	105.6
589	T	33.1	Very low	32.1	Very low	124 Å²	124	146.7 Å²	146.7	76%	0.761	79%	0.794	S	S	*	*			cis	-154.5	174.7	23	-45.5	0	0	0	0	109.7
590	A	28.5	Very low	31.7	Very low	84 Å²	84	149.8 Å²	149.8	69%	0.694	80%	0.799	S	S	*	*			trans	-94.1	165.6	173.5	0	0	0	0	0	113.5
591	I	33.3	Very low	31.9	Very low	158 Å²	158	147.1 Å²	147.1	81%	0.81	80%	0.798	S	S	*	*			trans	164.6	96.2	154.7	-88.2	152.5	0	0	0	104.6
592	S	29.6	Very low	31.6	Very low	87 Å²	87	150.3 Å²	150.3	61%	0.608	80%	0.801	S	S	*	*				62	100.3	77.3	73.9	0	0	0	0	115.2
593	H	33.4	Very low	31.9	Very low	184 Å²	184	148.4 Å²	148.4	85%	0.852	80%	0.8	S	S	*	*				-175.2	157.7	115.5	-102.7	-72.3	0	0	0	112.3
594	E	26.5	Very low	31.9	Very low	171 Å²	171	146.5 Å²	146.5	80%	0.799	79%	0.792	S	S	*	*			trans	-85.8	153.4	176	-54.9	160.9	116.6	0	0	111.5
595	T	34.6	Very low	31.8	Very low	140 Å²	140	148.7 Å²	148.7	86%	0.859	80%	0.795	S	S	*	*				178.3	157.1	120.7	25.4	0	0	0	0	111.9
596	N	26.4	Very low	31.6	Very low	147 Å²	147	144.6 Å²	144.6	79%	0.786	79%	0.787	S	S	*	*			trans	-83.6	154	-178.4	-43	-71.3	0	0	0	112.3
597	L	31.8	Very low	31.1	Very low	171 Å²	171	147.4 Å²	147.4	90%	0.895	79%	0.794	S	S	*	*				-159.7	138	128.4	-138.6	72.1	0	0	0	112.8
598	E	25.9	Very low	30.8	Very low	162 Å²	162	142.9 Å²	142.9	76%	0.757	79%	0.786	S	S	*	*			trans	-61.4	150.3	164.2	-109.5	86.6	165.4	0	0	112.7
599	S	34.8	Very low	30.5	Very low	116 Å²	116	141 Å²	141	81%	0.811	79%	0.789	S	S	*	*				-172.2	142.2	125.1	22.8	0	0	0	0	112.3
600	D	28.5	Very low	30.5	Very low	148 Å²	148	140.4 Å²	140.4	79%	0.791	79%	0.788	S	S	*	*			trans	-73.1	139.6	-178.5	-49.7	-100.3	0	0	0	113.5
601	I	34	Very low	30.4	Very low	169 Å²	169	143.2 Å²	143.2	87%	0.867	79%	0.79	S	S	*	*			trans	-131	107.3	142	-60.8	-175.1	0	0	0	108.6
602	Q	28.1	Very low	30.4	Very low	178 Å²	178	143 Å²	143	83%	0.832	79%	0.79	S	S	*	*			trans	-95.4	128	176.8	-170.8	179	42.1	0	0	109.3
603	S	34.7	Very low	30.1	Very low	118 Å²	118	145 Å²	145	83%	0.825	79%	0.794	S	S	*	*			trans	-149.5	111.7	169.8	-164.4	0	0	0	0	111.7
604	S	28	Very low	29.8	Very low	98 Å²	98	141.2 Å²	141.2	69%	0.685	79%	0.787	S	S	*	*			trans	-86.4	147.4	-172.6	-46.5	0	0	0	0	112.3
605	K	34.1	Very low	29.8	Very low	215 Å²	215	138.4 Å²	138.4	94%	0.935	78%	0.782	S	S	*	*			trans	-142.8	119.1	150.7	-120.1	174.4	-174.7	178.1	0	111.8
606	T	26.3	Very low	29.6	Very low	115 Å²	115	138.6 Å²	138.6	71%	0.706	78%	0.782	S	S	*	*			trans	-95.4	133.2	-171.6	-41.7	0	0	0	0	110.9
607	I	32.5	Very low	29.5	Very low	173 Å²	173	135.8 Å²	135.8	89%	0.887	77%	0.774	S	S	*	*			trans	-133	140.1	156.1	-59.7	-177.6	0	0	0	106.2
608	S	26.8	Very low	29.2	Very low	88 Å²	88	133 Å²	133	62%	0.615	77%	0.769	S	S	*	*			trans	-119.9	161	-162.2	-56.6	0	0	0	0	113.9
609	S	30.5	Very low	29.3	Very low	114 Å²	114	132.5 Å²	132.5	80%	0.797	77%	0.771	S	S	*	*			trans	81.4	156	154.8	-49.9	0	0	0	0	117.9
610	P	32.9	Very low	29.1	Very low	112 Å²	112	136.1 Å²	136.1	73%	0.727	77%	0.772	S	S	*	*			cis	-119	169.5	-7.9	38.4	-25.2	0	0	0	114.3
611	L	25.7	Very low	29.1	Very low	144 Å²	144	138 Å²	138	75%	0.754	78%	0.776	S	S	*	*			trans	-73.6	148.9	161.3	-81.7	68.5	0	0	0	110.2
612	L	33.3	Very low	28.8	Very low	152 Å²	152	138.4 Å²	138.4	80%	0.796	77%	0.771	S	S	*	*			trans	-122.9	105.8	143.6	-95.1	88.4	0	0	0	109.1
613	D	24.3	Very low	29	Very low	129 Å²	129	137.6 Å²	137.6	69%	0.69	77%	0.773	S	S	*	*			trans	-73.2	139.6	153.7	-81	-57.6	0	0	0	108.7
614	C	27.1	Very low	28.7	Very low	105 Å²	105	138.7 Å²	138.7	71%	0.709	77%	0.768	S	S	*	*			trans	-131.6	61.7	172.5	-82.5	0	0	0	0	111.4	V616	C614-V616 PolarHBondContact O-N 3.5Å
615	T	26	Very low	29.1	Very low	112 Å²	112	143 Å²	143	69%	0.687	78%	0.777	S	S	*	*			trans	-71.4	91.5	171.7	-43.5	0	0	0	0	110.5	S617	T615-S617 VanDerWaalsContact C-N 3.27Å; T615-S617 PolarHBondContact O-N 3.45Å
616	V	29.6	Very low	28.9	Very low	145 Å²	145	139 Å²	139	88%	0.879	77%	0.766	S	S	*	*			trans	-83.6	76.1	171.6	-172.2	0	0	0	0	109.7	C614	C614-V616 PolarHBondContact O-N 3.5Å
617	S	24.8	Very low	29.3	Very low	88 Å²	88	140.7 Å²	140.7	62%	0.615	77%	0.771	S	S	*	*			trans	-98.9	146.8	164.9	-73.5	0	0	0	0	110.1	T615	T615-S617 VanDerWaalsContact C-N 3.27Å; T615-S617 PolarHBondContact O-N 3.45Å
618	S	25.5	Very low	29.4	Very low	112 Å²	112	140.9 Å²	140.9	78%	0.783	77%	0.768	S	S	*	*			trans	89.3	109.2	175.2	-36.4	0	0	0	0	116.4
619	L	27.2	Very low	29.6	Very low	151 Å²	151	144.6 Å²	144.6	79%	0.791	78%	0.775	S	S	*	*			trans	156	100.9	135	-84.7	166.1	0	0	0	106.3
620	F	30.9	Very low	29.8	Very low	193 Å²	193	145.7 Å²	145.7	85%	0.846	77%	0.772	S	S	*	*				-144	170.7	52.7	-91.1	-88.1	0	0	0	113.2
621	H	29.6	Very low	29.6	Very low	187 Å²	187	144.9 Å²	144.9	87%	0.866	77%	0.769	S	S	*	*			trans	-84.4	167.1	-175.6	-95.3	-22.1	0	0	0	114.1
622	K	27.7	Very low	29.8	Very low	177 Å²	177	145.4 Å²	145.4	77%	0.77	77%	0.771	S	S	*	*			trans	-63.8	149	158.2	-49.4	164	178.8	176.9	0	108
623	D	31.9	Very low	29.8	Very low	162 Å²	162	145 Å²	145	87%	0.866	77%	0.765	S	S	*	*			trans	-132.3	138.2	135.6	-75.8	-54.7	0	0	0	107.6
624	I	27.8	Very low	30.1	Very low	141 Å²	141	145.9 Å²	145.9	72%	0.723	77%	0.765	S	S	*	*			trans	-134.6	114.1	169.6	-62.4	172.3	0	0	0	103.2
625	E	36.8	Very low	30.4	Very low	189 Å²	189	146.3 Å²	146.3	88%	0.883	76%	0.761	S	S	*	*			trans	-150.3	154.5	170.1	-112.7	163.1	-146.9	0	0	108.1
626	D	30.1	Very low	30.6	Very low	131 Å²	131	147.4 Å²	147.4	70%	0.701	76%	0.761	S	S	*	*			trans	-109.4	-158.1	-152.3	-61	-89.3	0	0	0	113.1
627	D	34.5	Very low	30.8	Very low	150 Å²	150	147 Å²	147	80%	0.802	75%	0.752	S	S	*	*			trans	87.3	115.9	155.6	-56.6	-24.2	0	0	0	121.9
628	E	35.2	Very low	31.2	Very low	177 Å²	177	149.2 Å²	149.2	83%	0.827	75%	0.753	S	S	*	*			trans	31.5	122.8	136	-57.2	-170.5	162.7	0	0	121
629	E	31.2	Very low	31.6	Very low	165 Å²	165	152.6 Å²	152.6	77%	0.771	76%	0.756	S	S	*	*				102.2	171.7	65.4	-144.2	-159.8	-148.8	0	0	112.1
630	L	33.1	Very low	31.9	Very low	137 Å²	137	156.4 Å²	156.4	72%	0.717	76%	0.76	S	S	*	*			trans	75.9	77	167.8	-54.4	-180	0	0	0	121
631	S	29.6	Very low	31.8	Very low	96 Å²	96	153.1 Å²	153.1	67%	0.671	76%	0.755	S	S	*	*				39.6	156.4	112.6	75.2	0	0	0	0	124.7
632	L	29.6	Very low	32.3	Very low	154 Å²	154	148.9 Å²	148.9	81%	0.806	75%	0.745	S	S	*	*			trans	75.6	151	170.1	-53.2	162.3	0	0	0	114.8
633	H	33	Very low	32.6	Very low	144 Å²	144	146.7 Å²	146.7	67%	0.667	74%	0.741	S	S	*	*			cis	-144.5	129.3	4	-134.2	4.1	0	0	0	106.3
634	E	31.4	Very low	32.6	Very low	147 Å²	147	146.3 Å²	146.3	69%	0.687	73%	0.734	S	S	*	*				58.8	141.1	87.7	-143.4	-172	-125.2	0	0	116.8
635	N	32.7	Very low	32.9	Very low	115 Å²	115	144.6 Å²	144.6	62%	0.615	73%	0.731	S	S	*	*			trans	79.2	147.2	162.7	-59.7	-50.4	0	0	0	119.8
636	I	30.7	Very low	32.9	Very low	135 Å²	135	141.4 Å²	141.4	69%	0.692	72%	0.72	S	S	*	*			cis	-172.4	167.5	-22.1	-152.7	167.7	0	0	0	109.9
637	I	34.5	Very low	33.1	Very low	135 Å²	135	140.8 Å²	140.8	69%	0.692	72%	0.717	S	S	*	*			trans	69.5	144.7	160.6	-81.2	170.8	0	0	0	118.2
638	E	32.7	Very low	33.2	Very low	136 Å²	136	140.2 Å²	140.2	64%	0.636	71%	0.713	S	S	*	*			cis	-173.7	154.6	-23.2	-130.3	174	-160	0	0	112
639	H	34	Very low	33.2	Very low	182 Å²	182	139.5 Å²	139.5	84%	0.843	71%	0.714	S	S	*	*			trans	59.2	158.8	157.2	-58.8	-39.6	0	0	0	119.6
640	R	32.5	Very low	33.4	Very low	232 Å²	232	136 Å²	136	88%	0.875	71%	0.708	S	S	*	*			cis	-156	143.9	24.3	-169.9	168.4	-171	153.6	4.2	113.8
641	T	29.9	Very low	33.5	Very low	123 Å²	123	135 Å²	135	76%	0.755	71%	0.707	S	S	*	*			trans	-120.1	-170	164.7	58.1	0	0	0	0	108.3
642	P	39	Very low	33.9	Very low	99 Å²	99	137.7 Å²	137.7	64%	0.643	71%	0.709	S	S	*	*			cis	-140.8	-155.2	1.2	39.8	-16.6	0	0	0	114.3
643	N	34.6	Very low	34.1	Very low	130 Å²	130	137.9 Å²	137.9	70%	0.695	71%	0.706	S	S	*	*			trans	75.5	155.1	153.2	-72.3	6.1	0	0	0	120.3
644	Q	32.4	Very low	34.2	Very low	154 Å²	154	138.9 Å²	138.9	72%	0.72	72%	0.715	S	S	*	*			cis	-169.3	169.8	-37.6	-135.6	176.4	6	0	0	110.3
645	T	34.5	Very low	34.3	Very low	105 Å²	105	137.7 Å²	137.7	64%	0.644	72%	0.72	S	S	*	*			trans	65.5	112.6	153.8	53.9	0	0	0	0	122.9
646	N	34.7	Very low	34.2	Very low	123 Å²	123	139.9 Å²	139.9	66%	0.658	73%	0.732	S	S	*	*				87.7	111.8	120.5	-66.9	46.2	0	0	0	123.5
647	D	34.9	Very low	34.3	Very low	118 Å²	118	137.3 Å²	137.3	63%	0.631	73%	0.726	S	S	*	*				60	113	121.3	-39	-27.7	0	0	0	121.9
648	N	37.9	Very low	34.2	Very low	138 Å²	138	137.7 Å²	137.7	74%	0.738	73%	0.734	S	S	*	*				166.8	132.5	94	-89.5	-71.5	0	0	0	113.3
649	L	35.1	Very low	34.2	Very low	161 Å²	161	139 Å²	139	84%	0.843	74%	0.74	S	S	*	*			trans	52.4	151.4	149.6	-85.4	63.9	0	0	0	119.8
650	S	35.1	Very low	34.2	Very low	91 Å²	91	137 Å²	137	64%	0.636	74%	0.741	S	S	*	*			cis	-161.6	130.5	6.5	140.2	0	0	0	0	112
651	V	35.7	Very low	34	Very low	117 Å²	117	135.7 Å²	135.7	71%	0.709	75%	0.745	S	S	*	*			trans	50	106.6	142.6	-161	0	0	0	0	120.3
652	H	36.6	Very low	34.2	Very low	152 Å²	152	134.4 Å²	134.4	70%	0.704	75%	0.746	S	S	*	*				-173.2	149.4	107.2	-111.8	-92	0	0	0	112.6
653	E	33.9	Very low	34	Very low	159 Å²	159	133 Å²	133	74%	0.743	74%	0.743	S	S	*	*			trans	51.3	88	154.1	-74.2	159.9	-143.1	0	0	121.7
654	L	35.8	Very low	34.1	Very low	164 Å²	164	133.2 Å²	133.2	86%	0.859	75%	0.752	S	S	*	*				-175.8	148.1	107.9	-116.4	79.9	0	0	0	109.7
655	P	33.4	Very low	34.3	Very low	123 Å²	123	133.9 Å²	133.9	80%	0.799	76%	0.755	S	S	*	*			trans	-83.9	136.5	-176.5	32.8	-33	0	0	0	112.7
656	N	30.7	Very low	34.2	Very low	161 Å²	161	133.2 Å²	133.2	86%	0.861	75%	0.754	S	S	*	*			trans	-147.1	148.7	175.4	-128.7	-19	0	0	0	111.5
657	S	32.8	Very low	34.5	Very low	80 Å²	80	133.3 Å²	133.3	56%	0.559	76%	0.762	S	S	*	*			trans	10.3	131.9	169.2	-165.4	0	0	0	0	121.1	H659	S657-H659 PolarHBondContact OG-CD2 2.64Å; S657-H659 VanDerWaalsContact OG-CD2 3.31Å
658	V	32.4	Very low	34.7	Very low	143 Å²	143	136.4 Å²	136.4	87%	0.867	77%	0.769	S	S	*	*			trans	-125	127	144.5	178.1	0	0	0	0	108.4
659	H	32.1	Very low	34.7	Very low	164 Å²	164	136.8 Å²	136.8	76%	0.759	77%	0.771	S	S	*	*			trans	-80.6	147	177.5	-73.6	-110.7	0	0	0	112.1	S657	S657-H659 PolarHBondContact OG-CD2 2.64Å; S657-H659 VanDerWaalsContact OG-CD2 3.31Å
660	T	34.1	Very low	34.6	Very low	141 Å²	141	134.2 Å²	134.2	87%	0.865	77%	0.765	S	S	*	*			trans	-137.6	145.1	146.8	18.2	0	0	0	0	109
661	E	28.3	Very low	34.6	Very low	203 Å²	203	137.7 Å²	137.7	95%	0.949	77%	0.766	S	S	*	*			trans	-78.1	130.1	-171.5	-62.6	165.5	115.9	0	0	111.7
662	A	34.2	Very low	34.7	Very low	96 Å²	96	136.7 Å²	136.7	79%	0.793	76%	0.76	S	S	*	*			trans	-144.7	139.9	167	0	0	0	0	0	109.1
663	A	34.7	Very low	34.7	Very low	70 Å²	70	133.5 Å²	133.5	58%	0.579	77%	0.768	S	S	*	*			trans	-69.5	149	-172.8	0	0	0	0	0	112.6	H665	A663-H665 VanDerWaalsContact C-N 3.33Å; A663-H665 PolarHBondContact O-CD2 2.94Å; A663-H665 PolarHBondContact O-N 3Å
664	P	37	Very low	35	Very low	135 Å²	135	135.1 Å²	135.1	88%	0.877	77%	0.769	S	S	*	*			trans	-70.5	89.2	172.5	30	-34.1	0	0	0	110.1
665	H	37	Very low	35.3	Very low	167 Å²	167	134.3 Å²	134.3	77%	0.773	77%	0.771	S	S	*	*			trans	-65.7	136.7	172.3	-72.7	-80	0	0	0	110.8	A663	A663-H665 VanDerWaalsContact C-N 3.33Å; A663-H665 PolarHBondContact O-CD2 2.94Å; A663-H665 PolarHBondContact O-N 3Å
666	S	32.7	Very low	35.8	Very low	92 Å²	92	132.9 Å²	132.9	64%	0.643	76%	0.756	S	S	*	*			trans	-25.8	135.2	-178.9	49.5	0	0	0	0	117.2	K668	S666-K668 PolarHBondContact O-N 3.02Å
667	P	40	Very low	36.8	Very low	124 Å²	124	128.2 Å²	128.2	81%	0.805	74%	0.735	S	S	*	*			trans	-67.1	102	177.3	28.1	-34.2	0	0	0	111	L669	P667-L669 PolarHBondContact O-N 3.19Å
668	K	39.1	Very low	37.4	Very low	183 Å²	183	131.5 Å²	131.5	80%	0.796	75%	0.746	S	S	*	*			trans	-67.6	102	165.8	-75	-174.8	176.4	-179.8	0	109.1	S666 C670	S666-K668 PolarHBondContact O-N 3.02Å; K668-C670 PolarHBondContact O-N 3.4Å
669	L	38.5	Very low	38.5	Very low	146 Å²	146	129.8 Å²	129.8	76%	0.764	74%	0.736	S	S	*	*			trans	-67.7	81.1	171.6	-84.7	163.4	0	0	0	110.9	P667 Y671	P667-L669 PolarHBondContact O-N 3.19Å; L669-Y671 VanDerWaalsContact C-N 3.32Å; L669-Y671 PolarHBondContact O-N 3.42Å
670	C	32.6	Very low	40.2	Very low	108 Å²	108	125.4 Å²	125.4	73%	0.73	72%	0.718	S	S	*	*			trans	-69.7	87.3	168.8	-68.3	0	0	0	0	109.8	K668 T672	K668-C670 PolarHBondContact O-N 3.4Å; C670-T672 PolarHBondContact O-N 2.9Å
671	Y	34.4	Very low	41.8	Very low	164 Å²	164	122.2 Å²	122.2	64%	0.643	70%	0.701	S	S	*	*			trans	-68.4	90.7	174.5	-110.5	-85.5	0	0	0	110.9	L669	L669-Y671 VanDerWaalsContact C-N 3.32Å; L669-Y671 PolarHBondContact O-N 3.42Å
672	T	39.5	Very low	43.7	Very low	96 Å²	96	120.1 Å²	120.1	59%	0.589	69%	0.685	S	S	*	*			trans	-73.4	140.6	157.7	51.1	0	0	0	0	108.6	C670 Y674	C670-T672 PolarHBondContact O-N 2.9Å; T672-Y674 VanDerWaalsContact C-N 3.26Å; T672-Y674 PolarHBondContact O-N 2.81Å
673	G	36	Very low	45.6	Very low	85 Å²	85	122.2 Å²	122.2	88%	0.876	68%	0.677	S	S	*	*	S	Bend	trans	-74.1	60	-164.2	0	0	0	0	0	116.1
674	Y	40.1	Very low	47.6	Very low	193 Å²	193	122.4 Å²	122.4	76%	0.757	67%	0.668	S	S	*	*			trans	-98.9	128.1	172.2	-69.6	-81.1	0	0	0	111.1	T672 L676	T672-Y674 VanDerWaalsContact C-N 3.26Å; T672-Y674 PolarHBondContact O-N 2.81Å; Y674-L676 PolarHBondContact O-N 2.94Å; Y674-L676 VanDerWaalsContact O-N 3.13Å
675	T	41.9	Very low	49.4	Very low	147 Å²	147	122.6 Å²	122.6	90%	0.902	66%	0.655	S	S	*	*			trans	-72.5	101.6	175.5	49.8	0	0	0	0	110.6
676	L	44.3	Very low	51.3	Low	93 Å²	93	118.3 Å²	118.3	49%	0.487	64%	0.635	S	S	.	*			trans	-58.5	138	169.7	-75.1	159	0	0	0	110.5	Y674 D680	Y674-L676 PolarHBondContact O-N 2.94Å; Y674-L676 VanDerWaalsContact O-N 3.13Å; L676-D680 HydrophobicContact CB-CB 4.39Å; L676-D680 HydrophobicContact CD2-CB 3.75Å
677	C	50.1	Low	53.6	Low	62 Å²	62	118.3 Å²	118.3	42%	0.419	63%	0.628	S	S	.	*			trans	-79.1	161.5	176.6	81.7	0	0	0	0	111	T679 D680 C681	C677-T679 PolarHBondContact O-N 3.4Å; C677-T679 VanDerWaalsContact O-N 3.07Å; C677-T679 PolarHBondContact SG-OG1 2.97Å; C677-T679 VanDerWaalsContact SG-OG1 3.4Å; C677-D680 PolarHBondContact N-OD2 3.4Å; C677-D680 PolarHBondContact O-N 3.24Å; C677-D680 PolarHBondContact SG-OD2 3.45Å; C677-C681 PolarHBondContact O-N 3.29Å; C677-C681 VanDerWaalsContact O-N 3.1Å
678	N	47	Very low	55.4	Low	149 Å²	149	116.5 Å²	116.5	80%	0.797	61%	0.611	S	S	*	*	H	α-helix	trans	-54.2	-32.8	-178.3	-75.2	-18.5	0	0	0	113.2	C681 Y682	N678-C681 PolarHBondContact O-N 2.87Å; N678-Y682 PolarHBondContact O-N 3.07Å; N678-Y682 VanDerWaalsContact O-N 3.13Å
679	T	55.7	Low	57.2	Low	107 Å²	107	116.1 Å²	116.1	66%	0.656	60%	0.604	S	S	*	*	H	α-helix	trans	-63.3	-43.2	176.7	-29.4	0	0	0	0	112.1	C677 K683	C677-T679 PolarHBondContact O-N 3.4Å; C677-T679 VanDerWaalsContact O-N 3.07Å; C677-T679 PolarHBondContact SG-OG1 2.97Å; C677-T679 VanDerWaalsContact SG-OG1 3.4Å; T679-K683 PolarHBondContact O-N 3.22Å
680	D	67.8	Low	59.1	Low	72 Å²	72	113.4 Å²	113.4	39%	0.385	60%	0.603	S	S	.	*	H	α-helix	trans	-71.6	-37.6	179.3	-55.4	-46.4	0	0	0	111	L676 C677 Y682 K683 L684	L676-D680 HydrophobicContact CB-CB 4.39Å; L676-D680 HydrophobicContact CD2-CB 3.75Å; C677-D680 PolarHBondContact N-OD2 3.4Å; C677-D680 PolarHBondContact O-N 3.24Å; C677-D680 PolarHBondContact SG-OD2 3.45Å; D680-Y682 PolarHBondContact O-N 2.93Å; D680-K683 PolarHBondContact O-N 3.34Å; D680-K683 VanDerWaalsContact O-N 3.16Å; D680-L684 WeakPolarHBondContact O-CB 3.49Å; D680-L684 PolarHBondContact O-N 3Å
681	C	66.5	Low	61.3	Low	74 Å²	74	116.7 Å²	116.7	50%	0.5	61%	0.607	S	S	.	*	H	α-helix	trans	-62.9	-40.5	177.4	-168.2	0	0	0	0	112	C677 N678 K685	C677-C681 PolarHBondContact O-N 3.29Å; C677-C681 VanDerWaalsContact O-N 3.1Å; N678-C681 PolarHBondContact O-N 2.87Å; C681-K685 WeakPolarHBondContact O-CB 3.46Å; C681-K685 PolarHBondContact O-N 2.87Å
682	Y	68.1	Low	63	Low	159 Å²	159	118.1 Å²	118.1	62%	0.624	63%	0.625	S	S	*	*	H	α-helix	trans	-62.4	-44.3	171.5	-176.5	-88.3	0	0	0	111.8	N678 D680 K685 Q686	N678-Y682 PolarHBondContact O-N 3.07Å; N678-Y682 VanDerWaalsContact O-N 3.13Å; D680-Y682 PolarHBondContact O-N 2.93Å; Y682-K685 PolarHBondContact O-N 3.25Å; Y682-Q686 HydrophobicContact CD1-CG 4.15Å; Y682-Q686 HydrophobicContact CE1-CG 3.72Å; Y682-Q686 WeakPolarHBondContact O-CG 3.28Å; Y682-Q686 PolarHBondContact O-N 2.8Å; Y682-Q686 PolarHBondContact OH-NE2 3.48Å
683	K	74.2	Confident	64.1	Low	141 Å²	141	119.2 Å²	119.2	61%	0.613	63%	0.627	S	S	*	*	H	α-helix	trans	-64.6	-43.8	-179.5	-162.1	175.3	-175.3	-179.1	0	111.9	T679 D680 K685 Q686 N687	T679-K683 PolarHBondContact O-N 3.22Å; D680-K683 PolarHBondContact O-N 3.34Å; D680-K683 VanDerWaalsContact O-N 3.16Å; K683-K685 VanDerWaalsContact C-N 3.33Å; K683-K685 PolarHBondContact O-N 2.93Å; K683-Q686 PolarHBondContact O-N 3.06Å; K683-N687 PolarHBondContact O-N 3.09Å; K683-N687 PolarHBondContact O-OD1 3.45Å
684	L	76.5	Confident	65.6	Low	73 Å²	73	121 Å²	121	38%	0.382	61%	0.614	S	S	.	*	H	α-helix	trans	-59.5	-42.5	173.5	-179.9	61.5	0	0	0	111.6	D680 Q686 N687 I688	D680-L684 WeakPolarHBondContact O-CB 3.49Å; D680-L684 PolarHBondContact O-N 3Å; L684-Q686 VanDerWaalsContact C-N 3.3Å; L684-Q686 PolarHBondContact O-N 3.01Å; L684-N687 PolarHBondContact O-N 3.15Å; L684-I688 HydrophobicContact CD1-CD1 4.07Å; L684-I688 HydrophobicContact CD1-CG1 4.36Å; L684-I688 HydrophobicContact CG-CD1 3.94Å; L684-I688 WeakPolarHBondContact O-CG1 3.38Å; L684-I688 PolarHBondContact O-N 2.71Å
685	K	76.5	Confident	67	Low	139 Å²	139	117 Å²	117	60%	0.604	61%	0.606	S	S	*	*	H	α-helix	trans	-66	-29.1	177.3	-170	169.9	-174.9	170.8	0	113.5	C681 Y682 K683 R689	C681-K685 WeakPolarHBondContact O-CB 3.46Å; C681-K685 PolarHBondContact O-N 2.87Å; Y682-K685 PolarHBondContact O-N 3.25Å; K683-K685 VanDerWaalsContact C-N 3.33Å; K683-K685 PolarHBondContact O-N 2.93Å; K685-R689 WeakPolarHBondContact O-CB 3.42Å; K685-R689 PolarHBondContact O-N 2.93Å
686	Q	76.5	Confident	68.5	Low	77 Å²	77	115.2 Å²	115.2	36%	0.36	59%	0.588	S	S	.	*	H	α-helix	trans	-77.5	-39.1	171.9	-65.3	-70.6	35.4	0	0	112	Y682 K683 L684 R689 A690	Y682-Q686 HydrophobicContact CD1-CG 4.15Å; Y682-Q686 HydrophobicContact CE1-CG 3.72Å; Y682-Q686 WeakPolarHBondContact O-CG 3.28Å; Y682-Q686 PolarHBondContact O-N 2.8Å; Y682-Q686 PolarHBondContact OH-NE2 3.48Å; K683-Q686 PolarHBondContact O-N 3.06Å; L684-Q686 VanDerWaalsContact C-N 3.3Å; L684-Q686 PolarHBondContact O-N 3.01Å; Q686-R689 CarbonylContact O-C 3.57Å; Q686-R689 WeakPolarHBondContact O-CB 3.16Å; Q686-R689 PolarHBondContact O-N 2.65Å; Q686-R689 VanDerWaalsContact O-N 3.14Å; Q686-A690 PolarHBondContact O-N 3.16Å; Q686-A690 VanDerWaalsContact O-N 3.17Å
687	N	80.4	Confident	70	Confident	92 Å²	92	116.6 Å²	116.6	49%	0.492	60%	0.595	S	S	.	*	H	α-helix	trans	-59.7	-48.5	174.2	-69.5	9	0	0	0	111.4	K683 L684 R689 A690 E691	K683-N687 PolarHBondContact O-N 3.09Å; K683-N687 PolarHBondContact O-OD1 3.45Å; L684-N687 PolarHBondContact O-N 3.15Å; N687-R689 PolarHBondContact O-N 3.13Å; N687-A690 PolarHBondContact O-N 3.46Å; N687-E691 PolarHBondContact O-N 3.29Å
688	I	78.7	Confident	71.4	Confident	87 Å²	87	120.3 Å²	120.3	45%	0.446	61%	0.606	S	S	.	*	H	α-helix	trans	-59.5	-29.7	176.6	-67.6	166.5	0	0	0	111.7	L684 A690 L692	L684-I688 HydrophobicContact CD1-CD1 4.07Å; L684-I688 HydrophobicContact CD1-CG1 4.36Å; L684-I688 HydrophobicContact CG-CD1 3.94Å; L684-I688 WeakPolarHBondContact O-CG1 3.38Å; L684-I688 PolarHBondContact O-N 2.71Å; I688-A690 VanDerWaalsContact C-N 3.35Å; I688-L692 HydrophobicContact CG2-CD1 3.79Å; I688-L692 HydrophobicContact CG2-CG 4.41Å; I688-L692 WeakPolarHBondContact O-CB 3.22Å; I688-L692 WeakPolarHBondContact O-CG 3.37Å; I688-L692 PolarHBondContact O-N 3.41Å
689	R	75.7	Confident	73.1	Confident	174 Å²	174	118.2 Å²	118.2	66%	0.657	59%	0.593	S	S	*	*	H	α-helix	trans	-81.3	-6.2	174.9	-91.9	-179.1	163.3	-171	-6.5	115.3	K685 Q686 N687	K685-R689 WeakPolarHBondContact O-CB 3.42Å; K685-R689 PolarHBondContact O-N 2.93Å; Q686-R689 CarbonylContact O-C 3.57Å; Q686-R689 WeakPolarHBondContact O-CB 3.16Å; Q686-R689 PolarHBondContact O-N 2.65Å; Q686-R689 VanDerWaalsContact O-N 3.14Å; N687-R689 PolarHBondContact O-N 3.13Å
690	A	78.4	Confident	74.4	Confident	89 Å²	89	119.1 Å²	119.1	74%	0.736	59%	0.588	S	S	*	*	H	α-helix	trans	-108.1	-8.9	176.1	0	0	0	0	0	112.4	Q686 N687 I688	Q686-A690 PolarHBondContact O-N 3.16Å; Q686-A690 VanDerWaalsContact O-N 3.17Å; N687-A690 PolarHBondContact O-N 3.46Å; I688-A690 VanDerWaalsContact C-N 3.35Å
691	E	78.2	Confident	75	Confident	177 Å²	177	123 Å²	123	83%	0.827	61%	0.605	S	S	*	*	H	α-helix	trans	-115.1	-7.6	-178.8	-159.4	162.6	-166.8	0	0	112.3	N687	N687-E691 PolarHBondContact O-N 3.29Å
692	L	70.3	Confident	75.8	Confident	194 Å²	194	127.5 Å²	127.5	100%	1.016	61%	0.614	S	S	*	*			trans	-101	0	161.6	-69.3	174.4	0	0	0	110.3	I688	I688-L692 HydrophobicContact CG2-CD1 3.79Å; I688-L692 HydrophobicContact CG2-CG 4.41Å; I688-L692 WeakPolarHBondContact O-CB 3.22Å; I688-L692 WeakPolarHBondContact O-CG 3.37Å; I688-L692 PolarHBondContact O-N 3.41Å

Retrieved 692 of 692 residues in 89.7 ms (Link to these results)

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