A0A3Q0KN52_SCHMA Loading...

Mitogen-activated protein kinase

AlphaFold DB , UniProt , Accession A0A3Q0KN52, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 583 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	27.8	Very low	28.8	Very low	244 Å²	244	145.8 Å²	145.8	100%	1.202	79%	0.788	S	S	*	*				0	121.7	0	-81.2	-177.6	-176.9	0	0	108.1
2	L	26.3	Very low	29.5	Very low	175 Å²	175	147.8 Å²	147.8	92%	0.916	79%	0.788	S	S	*	*			trans	-163.2	119.5	151.2	-95.5	173.1	0	0	0	108.2
3	V	27.4	Very low	30.2	Very low	133 Å²	133	144 Å²	144	81%	0.806	77%	0.774	S	S	*	*			trans	-122	139	167.3	175.4	0	0	0	0	102.1
4	P	29.6	Very low	30.1	Very low	113 Å²	113	148.7 Å²	148.7	73%	0.734	78%	0.778	S	S	*	*				-153	161.4	59.8	34.3	-10.3	0	0	0	118.3
5	I	24.7	Very low	30.3	Very low	135 Å²	135	150.1 Å²	150.1	69%	0.692	78%	0.779	S	S	*	*			trans	-99.9	135.1	162.4	-67.1	169.3	0	0	0	107.4	F7	I5-F7 HydrophobicContact CG2-CD2 3.32Å; I5-F7 HydrophobicContact CG2-CE2 3.47Å; I5-F7 VanDerWaalsContact CG2-CE2 3.47Å; I5-F7 HydrophobicContact CG2-CG 4.49Å
6	N	25.6	Very low	30.9	Very low	159 Å²	159	153.1 Å²	153.1	85%	0.85	78%	0.784	S	S	*	*			trans	-133.8	106.9	164.5	-102.7	-19.7	0	0	0	109.2
7	F	24.6	Very low	31.2	Very low	168 Å²	168	152.9 Å²	152.9	74%	0.737	78%	0.779	S	S	*	*			trans	-96.4	120.9	169.4	-80.9	-84	0	0	0	108.7	I5 Y9	I5-F7 HydrophobicContact CG2-CD2 3.32Å; I5-F7 HydrophobicContact CG2-CE2 3.47Å; I5-F7 VanDerWaalsContact CG2-CE2 3.47Å; I5-F7 HydrophobicContact CG2-CG 4.49Å; F7-Y9 PolarHBondContact O-N 3.03Å
8	P	29.3	Very low	31.3	Very low	125 Å²	125	154.3 Å²	154.3	81%	0.812	78%	0.779	S	S	*	*			trans	-79.8	109.1	164.1	30.7	-25.8	0	0	0	107.8
9	Y	32	Very low	31.1	Very low	204 Å²	204	154.5 Å²	154.5	80%	0.8	78%	0.782	S	S	*	*			trans	-65.1	155.3	165	-81	-85.5	0	0	0	110.6	F7 A11	F7-Y9 PolarHBondContact O-N 3.03Å; Y9-A11 HydrophobicContact CD1-CB 4.37Å
10	S	34.7	Very low	31	Very low	83 Å²	83	154.9 Å²	154.9	58%	0.58	79%	0.786	S	S	*	*				-138.8	111.8	113.1	61.6	0	0	0	0	109.4	E12	S10-E12 PolarHBondContact O-N 2.85Å
11	A	35.1	Very low	31.1	Very low	65 Å²	65	153.2 Å²	153.2	54%	0.537	79%	0.785	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.7	-11.7	179.2	0	0	0	0	0	113	Y9 T13	Y9-A11 HydrophobicContact CD1-CB 4.37Å; A11-T13 VanDerWaalsContact C-N 3.34Å; A11-T13 PolarHBondContact O-N 2.88Å
12	E	37.4	Very low	31	Very low	170 Å²	170	146.2 Å²	146.2	79%	0.794	76%	0.76	S	S	*	*	H	α-helix	trans	-72	-24.6	-177.4	-73	-173.5	145.6	0	0	113.8	S10 Y14	S10-E12 PolarHBondContact O-N 2.85Å; E12-Y14 VanDerWaalsContact C-N 3.32Å; E12-Y14 PolarHBondContact O-N 2.79Å
13	T	38.4	Very low	31.2	Very low	98 Å²	98	144.3 Å²	144.3	60%	0.601	76%	0.756	S	S	*	*	H	α-helix	trans	-75.9	-23.1	-177.5	-41.2	0	0	0	0	112.3	A11	A11-T13 VanDerWaalsContact C-N 3.34Å; A11-T13 PolarHBondContact O-N 2.88Å
14	Y	28.4	Very low	31.7	Very low	210 Å²	210	143.6 Å²	143.6	82%	0.824	75%	0.754	S	S	*	*	H	α-helix	trans	-83.4	-24.7	-174.4	-139.6	-92.1	0	0	0	113.8	E12	E12-Y14 VanDerWaalsContact C-N 3.32Å; E12-Y14 PolarHBondContact O-N 2.79Å
15	Q	33.2	Very low	31.8	Very low	170 Å²	170	146.6 Å²	146.6	79%	0.794	76%	0.763	S	S	*	*	H	α-helix	trans	-87.9	-16.2	-174.1	-86.5	-175.7	-22.8	0	0	115.3
16	K	39.1	Very low	31.9	Very low	198 Å²	198	146.3 Å²	146.3	86%	0.861	77%	0.77	S	S	*	*	S	Bend	trans	-89.5	-14.8	-173.8	-87.6	-175.2	177.8	175	0	116.4
17	Q	37.3	Very low	32	Very low	150 Å²	150	142.2 Å²	142.2	70%	0.701	77%	0.766	S	S	*	*	S	Bend	trans	-103.1	-14.1	-169	-85.8	-173.2	-21.3	0	0	117.1
18	F	32.6	Very low	32	Very low	178 Å²	178	139.4 Å²	139.4	78%	0.781	77%	0.767	S	S	*	*	S	Bend	trans	-135	21	-165.2	-69.7	-73.7	0	0	0	117.4
19	L	27.8	Very low	32	Very low	158 Å²	158	141 Å²	141	83%	0.827	77%	0.767	S	S	*	*			trans	-132.9	87.4	171.4	-70.9	169.4	0	0	0	111
20	N	27.7	Very low	31.6	Very low	162 Å²	162	135.7 Å²	135.7	87%	0.866	76%	0.76	S	S	*	*			trans	-142.4	102.6	152.3	-126.9	-10	0	0	0	109.4
21	P	34.2	Very low	31.2	Very low	119 Å²	119	138.2 Å²	138.2	77%	0.773	77%	0.772	S	S	*	*			trans	-97.5	118.8	-177.1	34.2	-25.8	0	0	0	110.4
22	S	26.5	Very low	30.9	Very low	97 Å²	97	144.5 Å²	144.5	68%	0.678	79%	0.787	S	S	*	*			trans	-148.5	111.4	167.4	35.3	0	0	0	0	112.4
23	T	30.2	Very low	30.6	Very low	135 Å²	135	141.4 Å²	141.4	83%	0.828	78%	0.782	S	S	*	*			trans	81.8	156	135.1	58	0	0	0	0	118.8
24	P	37.4	Very low	30.1	Very low	118 Å²	118	144.5 Å²	144.5	77%	0.766	80%	0.795	S	S	*	*				-130.1	164	-90.2	24.1	0.7	0	0	0	115.1
25	L	31.1	Very low	29.8	Very low	176 Å²	176	141.6 Å²	141.6	92%	0.921	80%	0.799	S	S	*	*			trans	-79.7	144.7	169	-81.5	124.1	0	0	0	112.6
26	P	27.1	Very low	29.4	Very low	130 Å²	130	140.9 Å²	140.9	84%	0.844	80%	0.8	S	S	*	*			trans	-146.8	151.6	139.4	35.4	-18.3	0	0	0	115.3
27	G	28	Very low	28.7	Very low	73 Å²	73	139.1 Å²	139.1	75%	0.753	79%	0.794	S	S	*	*			trans	120.7	86.5	142.9	0	0	0	0	0	119.2
28	S	25.2	Very low	28.1	Very low	109 Å²	109	142.4 Å²	142.4	76%	0.762	80%	0.802	S	S	*	*			trans	-13.3	143.5	151.4	56	0	0	0	0	120.8
29	L	27.6	Very low	28.1	Very low	157 Å²	157	138.2 Å²	138.2	82%	0.822	80%	0.795	S	S	*	*				-179.6	121.7	116	-95.1	150.2	0	0	0	113.6
30	S	23.9	Very low	28.2	Very low	93 Å²	93	138.2 Å²	138.2	65%	0.65	79%	0.79	S	S	*	*			trans	5.9	137.5	148.5	59	0	0	0	0	122.7
31	V	27.8	Very low	28.3	Very low	136 Å²	136	138.2 Å²	138.2	82%	0.824	78%	0.783	S	S	*	*				156.1	118.4	113.7	168.5	0	0	0	0	111
32	F	27.4	Very low	28.2	Very low	197 Å²	197	138.8 Å²	138.8	86%	0.864	78%	0.784	S	S	*	*			trans	-70.7	159.6	161.6	-73.1	-94.6	0	0	0	109.8
33	P	32.7	Very low	28.4	Very low	106 Å²	106	137.3 Å²	137.3	69%	0.688	78%	0.777	S	S	*	*			cis	-144.1	153.2	24.7	38.1	-17.8	0	0	0	115.6
34	N	26.9	Very low	28.4	Very low	162 Å²	162	133.8 Å²	133.8	87%	0.866	76%	0.762	S	S	*	*			trans	176.3	103.9	142.1	-89.5	-26.8	0	0	0	109.6	L36	N34-L36 PolarHBondContact O-N 3.45Å
35	V	22.4	Very low	27.9	Very low	149 Å²	149	135.6 Å²	135.6	90%	0.903	76%	0.762	S	S	*	*			trans	-83.6	106.3	174.7	174.9	0	0	0	0	107.9
36	L	24.3	Very low	27.7	Very low	155 Å²	155	135.6 Å²	135.6	81%	0.812	76%	0.755	S	S	*	*			trans	-137.5	116	160.8	-88.3	171.2	0	0	0	110.8	N34	N34-L36 PolarHBondContact O-N 3.45Å
37	H	25.4	Very low	27.7	Very low	161 Å²	161	136 Å²	136	75%	0.745	75%	0.75	S	S	*	*			trans	35.2	100.2	147.1	-80.4	-85.5	0	0	0	120.4	S39	H37-S39 PolarHBondContact O-N 3.29Å
38	Y	24.1	Very low	27.6	Very low	219 Å²	219	135.6 Å²	135.6	86%	0.859	75%	0.746	S	S	*	*	S	Bend		21	61.4	123.2	-130.4	-93.9	0	0	0	117.9
39	S	32	Very low	27.6	Very low	91 Å²	91	138 Å²	138	64%	0.636	75%	0.749	S	S	*	*			trans	-138.3	1.6	160.4	78	0	0	0	0	115.3	H37	H37-S39 PolarHBondContact O-N 3.29Å
40	E	31.2	Very low	27.5	Very low	157 Å²	157	139.9 Å²	139.9	73%	0.734	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-2.8	-177.4	-72.5	-170	156.3	0	0	115.6	V42 A43 A44	E40-V42 PolarHBondContact O-N 2.92Å; E40-A43 PolarHBondContact O-N 2.9Å; E40-A43 VanDerWaalsContact O-N 3.15Å; E40-A44 PolarHBondContact O-N 3.35Å
41	K	29.3	Very low	27.5	Very low	163 Å²	163	143.3 Å²	143.3	71%	0.709	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	-6.3	165.9	-91.3	-173.2	176.5	-179.9	0	114.1
42	V	31.1	Very low	27.4	Very low	131 Å²	131	140 Å²	140	79%	0.794	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	-21.1	167.9	-179.1	0	0	0	0	111.9	E40	E40-V42 PolarHBondContact O-N 2.92Å
43	A	30.7	Very low	27.7	Very low	65 Å²	65	136 Å²	136	54%	0.537	75%	0.75	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.4	-26.2	-177.4	0	0	0	0	0	114	E40	E40-A43 PolarHBondContact O-N 2.9Å; E40-A43 VanDerWaalsContact O-N 3.15Å
44	A	30.4	Very low	27.3	Very low	62 Å²	62	136.2 Å²	136.2	51%	0.512	75%	0.754	S	S	.	*	S	Bend	trans	-101	-8.8	-174.8	0	0	0	0	0	116.2	E40	E40-A44 PolarHBondContact O-N 3.35Å
45	M	27	Very low	27.2	Very low	156 Å²	156	137.1 Å²	137.1	77%	0.768	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	2.5	-178.7	-93.1	-177.3	171.4	0	0	115.5
46	F	27.2	Very low	27.2	Very low	175 Å²	175	141.4 Å²	141.4	77%	0.768	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.5	23.1	164.4	-73.8	-77.5	0	0	0	113	G48	F46-G48 VanDerWaalsContact C-N 3.34Å; F46-G48 PolarHBondContact O-N 3.18Å
47	N	26.8	Very low	27.2	Very low	138 Å²	138	140.2 Å²	140.2	74%	0.738	76%	0.762	S	S	*	*			trans	-69.6	90.3	169.7	-88.4	-18.7	0	0	0	110.4
48	G	25.9	Very low	27.2	Very low	65 Å²	65	137 Å²	137	67%	0.67	76%	0.763	S	S	*	*			trans	-151.6	41.8	173.1	0	0	0	0	0	111.6	F46	F46-G48 VanDerWaalsContact C-N 3.34Å; F46-G48 PolarHBondContact O-N 3.18Å
49	L	24.8	Very low	27.2	Very low	159 Å²	159	134.2 Å²	134.2	83%	0.832	76%	0.763	S	S	*	*			trans	-139.3	79.6	169.9	-98.2	134.2	0	0	0	108.3	I51	L49-I51 PolarHBondContact O-N 3.29Å
50	Q	25.5	Very low	26.8	Very low	197 Å²	197	138.2 Å²	138.2	92%	0.921	78%	0.776	S	S	*	*			trans	-63.7	115.8	156.5	-82.2	-166.6	-18.2	0	0	107.6	G52	Q50-G52 PolarHBondContact O-N 3.26Å
51	I	23.8	Very low	26.5	Very low	165 Å²	165	137.8 Å²	137.8	85%	0.846	78%	0.778	S	S	*	*			trans	-72.4	90.3	177.1	-57.1	166	0	0	0	107.1	L49	L49-I51 PolarHBondContact O-N 3.29Å
52	G	26.7	Very low	26.4	Very low	66 Å²	66	135.7 Å²	135.7	68%	0.68	78%	0.781	S	S	*	*			trans	-94.6	125.7	160.4	0	0	0	0	0	108.6	Q50	Q50-G52 PolarHBondContact O-N 3.26Å
53	P	32.5	Very low	26.2	Very low	113 Å²	113	138.8 Å²	138.8	73%	0.734	79%	0.786	S	S	*	*			trans	-76.6	145	-174.3	31.8	-31.8	0	0	0	110.2
54	S	24.9	Very low	26	Very low	111 Å²	111	146.1 Å²	146.1	78%	0.776	81%	0.806	S	S	*	*			trans	61	106.8	164.4	62	0	0	0	0	116.8
55	L	25	Very low	25.9	Very low	181 Å²	181	145.8 Å²	145.8	95%	0.948	81%	0.809	S	S	*	*			trans	-156.9	122.5	136	-102.2	149.2	0	0	0	109.5
56	R	23.2	Very low	25.8	Very low	239 Å²	239	144 Å²	144	90%	0.902	81%	0.809	S	S	*	*			trans	-66	151.2	-174.8	-69.6	176.2	173.5	-179.2	-2.3	111.7
57	C	23.1	Very low	25.8	Very low	131 Å²	131	144.5 Å²	144.5	89%	0.885	81%	0.813	S	S	*	*			trans	-3.3	119.2	158.7	-58.9	0	0	0	0	117
58	A	24.9	Very low	25.9	Very low	94 Å²	94	145.8 Å²	145.8	78%	0.777	82%	0.815	S	S	*	*			trans	-128.4	122.7	154.4	0	0	0	0	0	109.1	L60	A58-L60 PolarHBondContact O-N 3.33Å
59	N	24.7	Very low	26.2	Very low	160 Å²	160	150.1 Å²	150.1	86%	0.856	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-58.9	124	-176.6	-66.9	-45.1	0	0	0	112.2
60	L	24.9	Very low	26.7	Very low	175 Å²	175	147 Å²	147	92%	0.916	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-91	116.3	170.4	-85.8	155	0	0	0	110.2	A58	A58-L60 PolarHBondContact O-N 3.33Å
61	I	23.6	Very low	27.4	Very low	148 Å²	148	139.4 Å²	139.4	76%	0.759	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-69.6	136.3	176.1	-64	166.9	0	0	0	109.4	Q63	I61-Q63 PolarHBondContact O-N 2.86Å
62	P	28.3	Very low	28.5	Very low	119 Å²	119	133.3 Å²	133.3	77%	0.773	76%	0.757	S	S	*	*			trans	-83	114	-170.2	31	-32	0	0	0	112.1
63	Q	27.1	Very low	29.8	Very low	195 Å²	195	132.4 Å²	132.4	91%	0.911	74%	0.739	S	S	*	*			trans	-84.6	119	166.3	-70.7	-150.1	-4.3	0	0	110.9	I61 G65	I61-Q63 PolarHBondContact O-N 2.86Å; Q63-G65 PolarHBondContact O-N 2.57Å
64	K	26.1	Very low	31.3	Very low	219 Å²	219	127 Å²	127	95%	0.952	70%	0.704	S	S	*	*			trans	-73.4	95.6	172.4	-77.3	178.9	174.2	177.6	0	110
65	G	26.9	Very low	33.6	Very low	55 Å²	55	121.8 Å²	121.8	57%	0.567	67%	0.668	S	S	*	*			trans	-105.9	157.5	160.7	0	0	0	0	0	110.8	Q63 Q67	Q63-G65 PolarHBondContact O-N 2.57Å; G65-Q67 PolarHBondContact O-N 3.18Å
66	P	26.4	Very low	35.6	Very low	120 Å²	120	113.9 Å²	113.9	78%	0.779	63%	0.628	S	S	*	*			trans	-62.5	127.9	-169.1	25.9	-32	0	0	0	111	H68	P66-H68 PolarHBondContact O-N 2.93Å
67	Q	26.2	Very low	37.8	Very low	184 Å²	184	104.1 Å²	104.1	86%	0.86	60%	0.595	S	S	*	*			trans	-65.9	91.1	-177.2	-65.9	176.1	-12.9	0	0	109.9	G65 I69	G65-Q67 PolarHBondContact O-N 3.18Å; Q67-I69 PolarHBondContact O-N 3.27Å; Q67-I69 VanDerWaalsContact O-N 3.07Å
68	H	29.8	Very low	39.8	Very low	166 Å²	166	99.2 Å²	99.2	77%	0.769	56%	0.561	S	S	*	*			trans	-56.9	114	156	-77.7	-66.4	0	0	0	106.7	P66 I70	P66-H68 PolarHBondContact O-N 2.93Å; H68-I70 WeakPolarHBondContact O-CG1 3.48Å; H68-I70 PolarHBondContact O-N 3Å
69	I	31	Very low	41.4	Very low	155 Å²	155	102.3 Å²	102.3	80%	0.795	56%	0.557	S	S	*	*			trans	-62.1	100.5	179.1	-62	173.5	0	0	0	107.4	Q67 G71	Q67-I69 PolarHBondContact O-N 3.27Å; Q67-I69 VanDerWaalsContact O-N 3.07Å; I69-G71 PolarHBondContact O-N 3.29Å; I69-G71 VanDerWaalsContact O-N 3.12Å
70	I	36.4	Very low	42.7	Very low	93 Å²	93	96.3 Å²	96.3	48%	0.477	53%	0.527	S	S	.	.			trans	-82.1	87.7	-180	-48.8	-174.6	0	0	0	107.5	H68 K106	H68-I70 WeakPolarHBondContact O-CG1 3.48Å; H68-I70 PolarHBondContact O-N 3Å; I70-K106 VanDerWaalsContact CD1-NZ 3.35Å; I70-K106 HydrophobicContact CG2-CD 3.94Å
71	G	39.9	Very low	43.7	Very low	38 Å²	38	93 Å²	93	39%	0.392	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-72.1	140.3	173.6	0	0	0	0	0	113.5	I69	I69-G71 PolarHBondContact O-N 3.29Å; I69-G71 VanDerWaalsContact O-N 3.12Å
72	G	46	Very low	44.5	Very low	38 Å²	38	89.8 Å²	89.8	39%	0.392	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-69.9	159.6	166.2	0	0	0	0	0	112.5	S569	G72-S569 PolarHBondContact O-OG 3.32Å
73	P	55.3	Low	44.8	Very low	46 Å²	46	88.9 Å²	88.9	30%	0.299	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-61.5	151.7	-176.8	25.3	-33.9	0	0	0	112.5	L75 N566	P73-L75 WeakPolarHBondContact CG-O 3.49Å; P73-L75 PolarHBondContact O-N 3.41Å; P73-N566 WeakPolarHBondContact O-CB 3.34Å; P73-N566 PolarHBondContact O-ND2 3.41Å
74	V	63.9	Low	45.1	Very low	1 Å²	1	85 Å²	85	1%	0.006	48%	0.484	C	S	.	.	S	Bend	trans	-61.4	-24.4	174.4	165.5	0	0	0	0	112.3	E111 N566 N571 F575	V74-E111 WeakPolarHBondContact CG2-OE2 3.31Å; V74-E111 PolarHBondContact N-OE1 3.46Å; V74-N566 WeakPolarHBondContact O-CB 3.26Å; V74-N566 PolarHBondContact O-N 3.34Å; V74-N571 HydrophobicContact CG2-CB 3.6Å; V74-F575 HydrophobicContact CG1-CB 4.46Å; V74-F575 HydrophobicContact CG1-CD1 4.34Å; V74-F575 HydrophobicContact CG1-CD2 4.15Å; V74-F575 HydrophobicContact CG1-CE2 4.45Å; V74-F575 HydrophobicContact CG1-CG 4.06Å
75	L	73.6	Confident	45.4	Very low	1 Å²	1	81.3 Å²	81.3	1%	0.005	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	139.2	176.5	-64.9	178.7	0	0	0	110.7	P73 V125 P128 L136 L188 V563 V564	P73-L75 WeakPolarHBondContact CG-O 3.49Å; P73-L75 PolarHBondContact O-N 3.41Å; L75-V125 HydrophobicContact CD1-CB 4.14Å; L75-V125 HydrophobicContact CD1-CG2 3.5Å; L75-V125 HydrophobicContact CG-CG2 4.48Å; L75-P128 HydrophobicContact CB-CG 4.05Å; L75-L136 HydrophobicContact CD1-CD2 4.46Å; L75-L136 HydrophobicContact CD2-CD2 4.01Å; L75-L136 HydrophobicContact CG-CD2 4.44Å; L75-L188 HydrophobicContact CD1-CD1 4.36Å; L75-L188 HydrophobicContact CD1-CD2 3.77Å; L75-V563 HydrophobicContact CB-CG1 3.64Å; L75-V563 HydrophobicContact CD1-CG1 4.03Å; L75-V563 HydrophobicContact CD2-CG1 3.79Å; L75-V563 HydrophobicContact CG-CG1 4.02Å; L75-V564 WeakPolarHBondContact CA-O 3.43Å
76	A	67	Low	45.5	Very low	14 Å²	14	81.8 Å²	81.8	12%	0.116	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	164.8	173.4	0	0	0	0	0	111.1	F99 V563 V564 N566	A76-F99 HydrophobicContact CB-CD1 4.27Å; A76-F99 HydrophobicContact CB-CE1 4.13Å; A76-V563 CarbonylContact O-C 3.56Å; A76-V563 WeakPolarHBondContact O-CA 3.27Å; A76-V563 WeakPolarHBondContact O-CG1 3.47Å; A76-V564 HydrophobicContact CB-CG2 3.96Å; A76-V564 PolarHBondContact N-O 3.48Å; A76-V564 PolarHBondContact O-N 3.33Å; A76-N566 HydrophobicContact CB-CB 4.03Å
77	V	69	Low	45.6	Very low	34 Å²	34	87.6 Å²	87.6	21%	0.206	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	138.1	-179.5	176	0	0	0	0	110.5	P128 R129 T561	V77-P128 HydrophobicContact CG2-CB 3.79Å; V77-P128 HydrophobicContact CG2-CG 3.58Å; V77-R129 HydrophobicContact CG2-CG 3.71Å; V77-T561 HydrophobicContact CB-CG2 4.44Å; V77-T561 HydrophobicContact CG1-CG2 3.09Å
78	V	65	Low	45.7	Very low	29 Å²	29	82 Å²	82	18%	0.176	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	136.6	171.6	-179.4	0	0	0	0	109.9	F97 R562 V564	V78-F97 HydrophobicContact CG1-CD1 4.05Å; V78-F97 HydrophobicContact CG1-CE1 4.32Å; V78-R562 PolarHBondContact N-O 3.38Å; V78-R562 PolarHBondContact O-N 3.48Å; V78-V564 HydrophobicContact CB-CG1 4.13Å; V78-V564 HydrophobicContact CG2-CB 4.18Å; V78-V564 HydrophobicContact CG2-CG1 3.59Å; V78-V564 HydrophobicContact CG2-CG2 3.5Å
79	K	58.3	Low	45.6	Very low	158 Å²	158	81.7 Å²	81.7	69%	0.687	49%	0.488	S	S	*	.			trans	-66.4	133.5	170.8	-81.5	-174.6	177.3	179.3	0	109.6	T81	K79-T81 PolarHBondContact O-N 3.29Å
80	S	51.8	Low	45.4	Very low	34 Å²	34	80.6 Å²	80.6	24%	0.238	49%	0.494	C	S	.	.			trans	-68.1	112.7	175.4	177.6	0	0	0	0	110.1	P558	S80-P558 WeakPolarHBondContact CB-O 3.19Å; S80-P558 PolarHBondContact OG-O 2.91Å
81	T	46	Very low	44.9	Very low	106 Å²	106	84.4 Å²	84.4	65%	0.65	51%	0.51	S	S	*	.			trans	-104.3	111.4	159	48.6	0	0	0	0	107.2	K79	K79-T81 PolarHBondContact O-N 3.29Å
82	F	40.3	Very low	44.2	Very low	80 Å²	80	93 Å²	93	35%	0.351	53%	0.53	S	S	.	.			trans	-95.8	103.2	173.5	-138.1	-82.9	0	0	0	107.4	P84 F554 Q555 P558	F82-P84 WeakPolarHBondContact O-CD 3.38Å; F82-F554 HydrophobicContact CE2-CB 4.14Å; F82-Q555 HydrophobicContact CE1-CG 3.77Å; F82-Q555 HydrophobicContact CE2-CG 3.95Å; F82-Q555 HydrophobicContact CZ-CB 4.47Å; F82-Q555 HydrophobicContact CZ-CG 3.24Å; F82-P558 HydrophobicContact CD2-CB 4.29Å
83	S	35.8	Very low	43.3	Very low	100 Å²	100	97.9 Å²	97.9	70%	0.699	55%	0.547	S	S	*	.			trans	-94.3	111.8	170.1	-57.9	0	0	0	0	107.6	V85	S83-V85 PolarHBondContact O-N 2.9Å
84	P	32.3	Very low	41.9	Very low	114 Å²	114	103.1 Å²	103.1	74%	0.74	57%	0.567	S	S	*	*			trans	-59.7	137.7	173.8	23.6	-30.2	0	0	0	109.2	F82 G86	F82-P84 WeakPolarHBondContact O-CD 3.38Å; P84-G86 VanDerWaalsContact C-N 3.31Å; P84-G86 PolarHBondContact O-N 3.1Å
85	V	33.3	Very low	40.3	Very low	142 Å²	142	109.1 Å²	109.1	86%	0.861	60%	0.599	S	S	*	*			trans	-61.7	90.2	-177	-178.1	0	0	0	0	109.2	S83	S83-V85 PolarHBondContact O-N 2.9Å
86	G	29.1	Very low	38	Very low	65 Å²	65	112 Å²	112	67%	0.67	63%	0.629	S	S	*	*			trans	-89.6	116.7	166.6	0	0	0	0	0	108.7	P84 G88	P84-G86 VanDerWaalsContact C-N 3.31Å; P84-G86 PolarHBondContact O-N 3.1Å; G86-G88 PolarHBondContact O-N 3.38Å
87	Y	26.8	Very low	36.3	Very low	242 Å²	242	116.4 Å²	116.4	95%	0.949	65%	0.646	S	S	*	*			trans	-56.9	106.7	164.5	-88.7	-97.9	0	0	0	108.6
88	G	28.1	Very low	34.3	Very low	66 Å²	66	121.1 Å²	121.1	68%	0.68	68%	0.675	S	S	*	*			trans	-174.8	98.2	-179.7	0	0	0	0	0	112	G86	G86-G88 PolarHBondContact O-N 3.38Å
89	N	28.1	Very low	32.8	Very low	160 Å²	160	125.1 Å²	125.1	86%	0.856	69%	0.69	S	S	*	*			trans	27.2	108.3	162.9	-69.3	-16.1	0	0	0	118.6	Q91	N89-Q91 PolarHBondContact O-N 3.2Å
90	S	26.6	Very low	31.7	Very low	132 Å²	132	124 Å²	124	92%	0.923	69%	0.688	S	S	*	*			trans	-39.5	88.2	163.7	-53	0	0	0	0	114.2
91	Q	26.8	Very low	30.7	Very low	173 Å²	173	128.2 Å²	128.2	81%	0.808	71%	0.714	S	S	*	*			trans	-112.6	91.3	154.3	-73.5	-167.2	2	0	0	108.5	N89 L93	N89-Q91 PolarHBondContact O-N 3.2Å; Q91-L93 PolarHBondContact O-N 3.11Å
92	R	25.2	Very low	30.3	Very low	217 Å²	217	125.8 Å²	125.8	82%	0.819	70%	0.702	S	S	*	*			trans	15.8	70.1	142.3	-149.1	174.9	-171.4	167	1.5	115.8	E94	R92-E94 VanDerWaalsContact C-N 3.29Å; R92-E94 IonicContact NE-OE1 3.78Å; R92-E94 PolarHBondContact O-N 3.46Å
93	L	26.5	Very low	30.1	Very low	141 Å²	141	130.6 Å²	130.6	74%	0.738	73%	0.73	S	S	*	*			trans	-89	74.1	162.1	-73	164.6	0	0	0	108	Q91 N95	Q91-L93 PolarHBondContact O-N 3.11Å; L93-N95 WeakPolarHBondContact CD2-ND2 3.12Å; L93-N95 PolarHBondContact O-N 2.89Å
94	E	26.5	Very low	30.1	Very low	156 Å²	156	129 Å²	129	73%	0.729	72%	0.716	S	S	*	*			trans	-71	53.8	155.2	-77.1	178.6	-160.4	0	0	108.8	R92 G96	R92-E94 VanDerWaalsContact C-N 3.29Å; R92-E94 IonicContact NE-OE1 3.78Å; R92-E94 PolarHBondContact O-N 3.46Å; E94-G96 VanDerWaalsContact C-N 3.27Å; E94-G96 PolarHBondContact O-N 2.88Å
95	N	29.4	Very low	30.3	Very low	127 Å²	127	130.4 Å²	130.4	68%	0.679	71%	0.713	S	S	*	*			trans	-81.4	88.5	171.1	-77.9	0.9	0	0	0	106.7	L93 F97	L93-N95 WeakPolarHBondContact CD2-ND2 3.12Å; L93-N95 PolarHBondContact O-N 2.89Å; N95-F97 PolarHBondContact O-N 3.32Å
96	G	26.5	Very low	30.4	Very low	62 Å²	62	129.8 Å²	129.8	64%	0.639	70%	0.698	S	S	*	*			trans	-42.3	126.9	170.2	0	0	0	0	0	110.2	E94 T98	E94-G96 VanDerWaalsContact C-N 3.27Å; E94-G96 PolarHBondContact O-N 2.88Å; G96-T98 PolarHBondContact O-N 3.48Å
97	F	31.2	Very low	30.8	Very low	106 Å²	106	130.1 Å²	130.1	47%	0.465	69%	0.687	S	S	.	*			trans	-52.8	111.1	173.1	-69	-83.5	0	0	0	108.3	V78 N95 F99	V78-F97 HydrophobicContact CG1-CD1 4.05Å; V78-F97 HydrophobicContact CG1-CE1 4.32Å; N95-F97 PolarHBondContact O-N 3.32Å; F97-F99 PolarHBondContact O-N 2.93Å
98	T	26.7	Very low	31.5	Very low	134 Å²	134	127 Å²	127	82%	0.822	68%	0.675	S	S	*	*			trans	-73.5	99.2	174.6	-17.9	0	0	0	0	106.3	G96 Q100	G96-T98 PolarHBondContact O-N 3.48Å; T98-Q100 PolarHBondContact O-N 3.35Å
99	F	33.3	Very low	32.1	Very low	112 Å²	112	128.5 Å²	128.5	49%	0.491	67%	0.666	S	S	.	*			trans	-57.6	108.7	172.1	-74.6	-90	0	0	0	107.7	A76 F97 P101	A76-F99 HydrophobicContact CB-CD1 4.27Å; A76-F99 HydrophobicContact CB-CE1 4.13Å; F97-F99 PolarHBondContact O-N 2.93Å; F99-P101 WeakPolarHBondContact O-CD 3.3Å
100	Q	34.4	Very low	33.2	Very low	136 Å²	136	125.8 Å²	125.8	64%	0.636	66%	0.657	S	S	*	*			trans	-83.5	112	161.4	-74.1	-170	-38.1	0	0	105.9	T98 S102	T98-Q100 PolarHBondContact O-N 3.35Å; Q100-S102 PolarHBondContact O-N 3.38Å
101	P	32.9	Very low	34.6	Very low	122 Å²	122	121.6 Å²	121.6	79%	0.792	62%	0.622	S	S	*	*			trans	-66.4	86.6	161.1	26.9	-25.7	0	0	0	105.6	F99 L103	F99-P101 WeakPolarHBondContact O-CD 3.3Å; P101-L103 PolarHBondContact O-N 3.38Å
102	S	37.3	Very low	36.2	Very low	55 Å²	55	117.6 Å²	117.6	39%	0.385	60%	0.602	S	S	.	*			trans	-49.2	139.6	160.2	47.3	0	0	0	0	106.6	Q100 T104	Q100-S102 PolarHBondContact O-N 3.38Å; S102-T104 WeakPolarHBondContact O-CG2 3.5Å; S102-T104 PolarHBondContact O-N 2.91Å
103	L	34.5	Very low	37.8	Very low	181 Å²	181	109.5 Å²	109.5	95%	0.948	58%	0.579	S	S	*	*			trans	-53.6	57.2	179	-74.1	145.8	0	0	0	113.1	P101 Q105	P101-L103 PolarHBondContact O-N 3.38Å; L103-Q105 PolarHBondContact O-N 3.3Å
104	T	36.5	Very low	39.3	Very low	65 Å²	65	105.1 Å²	105.1	40%	0.399	56%	0.556	S	S	.	*			trans	-65.9	105.6	176.4	53.3	0	0	0	0	104.3	S102 K106	S102-T104 WeakPolarHBondContact O-CG2 3.5Å; S102-T104 PolarHBondContact O-N 2.91Å; T104-K106 PolarHBondContact O-N 3.42Å; T104-K106 VanDerWaalsContact O-N 3.07Å
105	Q	37.5	Very low	40.6	Very low	145 Å²	145	98.9 Å²	98.9	68%	0.678	53%	0.534	S	S	*	.			trans	-37.9	123.8	154.6	-79.7	175.8	-21.4	0	0	105.8	L103 V107	L103-Q105 PolarHBondContact O-N 3.3Å; Q105-V107 WeakPolarHBondContact O-CG2 3.36Å; Q105-V107 PolarHBondContact O-N 3.44Å
106	K	33.8	Very low	41.5	Very low	129 Å²	129	98.8 Å²	98.8	56%	0.561	53%	0.527	S	S	*	.			trans	-59.3	92.7	178.9	-75.4	177.8	178.8	176.2	0	107	I70 T104 Y108	I70-K106 VanDerWaalsContact CD1-NZ 3.35Å; I70-K106 HydrophobicContact CG2-CD 3.94Å; T104-K106 PolarHBondContact O-N 3.42Å; T104-K106 VanDerWaalsContact O-N 3.07Å; K106-Y108 VanDerWaalsContact C-N 3.34Å; K106-Y108 HydrophobicContact CB-CD2 4.14Å; K106-Y108 HydrophobicContact CB-CE2 3.71Å; K106-Y108 HydrophobicContact CD-CE2 4.33Å; K106-Y108 VanDerWaalsContact O-CD2 3.22Å; K106-Y108 WeakPolarHBondContact O-CD2 3.35Å; K106-Y108 PolarHBondContact O-N 2.9Å
107	V	38.2	Very low	42.5	Very low	72 Å²	72	97.5 Å²	97.5	44%	0.436	52%	0.515	S	S	.	.			trans	-78.1	94.7	176.9	-176.8	0	0	0	0	105.5	Q105 M109 V126	Q105-V107 WeakPolarHBondContact O-CG2 3.36Å; Q105-V107 PolarHBondContact O-N 3.44Å; V107-M109 HydrophobicContact CG1-CB 4.06Å; V107-M109 HydrophobicContact CG1-CG 3.71Å; V107-M109 PolarHBondContact O-N 3.13Å; V107-V126 HydrophobicContact CB-CG1 4.4Å; V107-V126 HydrophobicContact CG1-CG1 4.23Å; V107-V126 HydrophobicContact CG1-CG2 3.94Å; V107-V126 HydrophobicContact CG2-CG1 4.45Å
108	Y	40.7	Very low	43.3	Very low	175 Å²	175	95 Å²	95	69%	0.686	51%	0.513	S	S	*	.			trans	-71.2	81	170.5	-70.6	-91	0	0	0	108.5	K106	K106-Y108 VanDerWaalsContact C-N 3.34Å; K106-Y108 HydrophobicContact CB-CD2 4.14Å; K106-Y108 HydrophobicContact CB-CE2 3.71Å; K106-Y108 HydrophobicContact CD-CE2 4.33Å; K106-Y108 VanDerWaalsContact O-CD2 3.22Å; K106-Y108 WeakPolarHBondContact O-CD2 3.35Å; K106-Y108 PolarHBondContact O-N 2.9Å
109	M	42.3	Very low	44.4	Very low	99 Å²	99	90.4 Å²	90.4	49%	0.488	48%	0.482	S	S	.	.			trans	-125.7	134.4	173.2	-82	-81.8	177.4	0	0	109.4	V107 E111 V126 Q133	V107-M109 HydrophobicContact CG1-CB 4.06Å; V107-M109 HydrophobicContact CG1-CG 3.71Å; V107-M109 PolarHBondContact O-N 3.13Å; M109-E111 PolarHBondContact O-N 3.47Å; M109-E111 VanDerWaalsContact O-N 3.08Å; M109-V126 HydrophobicContact CB-CG2 3.99Å; M109-Q133 PolarHBondContact SD-NE2 2.85Å
110	P	50.4	Low	45.4	Very low	103 Å²	103	85.7 Å²	85.7	67%	0.669	47%	0.465	S	S	*	.			trans	-68.3	110.8	-178.6	26.1	-30.9	0	0	0	109.7	K112	P110-K112 PolarHBondContact O-N 2.91Å
111	E	56.3	Low	46.9	Very low	43 Å²	43	79.3 Å²	79.3	20%	0.201	44%	0.435	C	S	.	.			trans	-63.4	113.8	162.7	-66.6	175.5	169.4	0	0	107.5	V74 M109 W123 L124 N571	V74-E111 WeakPolarHBondContact CG2-OE2 3.31Å; V74-E111 PolarHBondContact N-OE1 3.46Å; M109-E111 PolarHBondContact O-N 3.47Å; M109-E111 VanDerWaalsContact O-N 3.08Å; E111-W123 HydrophobicContact CB-CE3 4.5Å; E111-W123 HydrophobicContact CB-CZ3 4.5Å; E111-L124 WeakPolarHBondContact CA-O 3.5Å; E111-N571 WeakPolarHBondContact OE2-CB 3.37Å; E111-N571 PolarHBondContact OE2-ND2 3.36Å
112	K	61	Low	49.2	Very low	89 Å²	89	75.5 Å²	75.5	39%	0.387	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	141.2	-175.8	-168.6	-174.6	175.1	-172.7	0	109.4	P110 L114 L124 S486	P110-K112 PolarHBondContact O-N 2.91Å; K112-L114 PolarHBondContact O-N 3.16Å; K112-L124 PolarHBondContact O-N 3.21Å; K112-S486 VanDerWaalsContact NZ-CB 3.34Å; K112-S486 PolarHBondContact NZ-OG 3.07Å
113	S	57	Low	51.3	Low	47 Å²	47	73.5 Å²	73.5	33%	0.329	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	124.1	166.5	52.9	0	0	0	0	109.6
114	L	58.3	Low	53.6	Low	50 Å²	50	66 Å²	66	26%	0.262	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-26.8	178.7	-69.7	173.9	0	0	0	111.9	K112 V122 L124 A135 Y191	K112-L114 PolarHBondContact O-N 3.16Å; L114-V122 HydrophobicContact CB-CB 4.49Å; L114-V122 HydrophobicContact CB-CG1 4.42Å; L114-V122 HydrophobicContact CD1-CG1 4.19Å; L114-V122 PolarHBondContact N-O 3.09Å; L114-L124 HydrophobicContact CD1-CB 3.87Å; L114-L124 HydrophobicContact CD2-CB 3.9Å; L114-L124 HydrophobicContact CG-CB 3.8Å; L114-A135 HydrophobicContact CD1-CB 4.49Å; L114-Y191 HydrophobicContact CD1-CD2 3.67Å; L114-Y191 HydrophobicContact CD1-CE2 3.58Å; L114-Y191 HydrophobicContact CD2-CE2 3.68Å; L114-Y191 HydrophobicContact CG-CE2 4.29Å
115	G	54.2	Low	55.8	Low	25 Å²	25	63 Å²	63	26%	0.258	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	172.8	168.5	177.2	0	0	0	0	0	113.3	V122	G115-V122 PolarHBondContact O-N 2.89Å; G115-V122 VanDerWaalsContact O-N 3.16Å
116	F	48.5	Very low	57.9	Low	124 Å²	124	57.2 Å²	57.2	54%	0.544	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	123.5	171.2	-59.6	-91.8	0	0	0	107.5	V121	F116-V121 HydrophobicContact CD1-CG2 3.67Å; F116-V121 HydrophobicContact CE1-CG1 4.42Å; F116-V121 HydrophobicContact CE1-CG2 3.78Å
117	G	48.4	Very low	60.3	Low	36 Å²	36	51.2 Å²	51.2	37%	0.371	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	173.2	172.9	0	0	0	0	0	111.2	F119 G120	G117-F119 PolarHBondContact O-N 3.3Å; G117-G120 PolarHBondContact N-O 2.95Å; G117-G120 PolarHBondContact O-N 2.84Å
118	A	46.5	Very low	62.5	Low	53 Å²	53	48.8 Å²	48.8	44%	0.438	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-21.7	175.5	0	0	0	0	0	114.2	L273	A118-L273 HydrophobicContact CB-CD2 3.28Å
119	F	49.8	Very low	64.6	Low	37 Å²	37	43.3 Å²	43.3	16%	0.162	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	11.6	-173.7	-56.4	-67.5	0	0	0	113.8	G117 P140 D252 L255	G117-F119 PolarHBondContact O-N 3.3Å; F119-P140 WeakPolarHBondContact O-CD 3.45Å; F119-D252 VanDerWaalsContact CD2-OD1 3.25Å; F119-D252 WeakPolarHBondContact CD2-OD1 3.32Å; F119-D252 WeakPolarHBondContact CD2-OD2 3.41Å; F119-D252 WeakPolarHBondContact CE2-OD2 3.14Å; F119-L255 HydrophobicContact CZ-CG 4.47Å
120	G	54.4	Low	66.7	Low	13 Å²	13	42.6 Å²	42.6	13%	0.134	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	126.4	-166.2	175.6	0	0	0	0	0	114.7	G117	G117-G120 PolarHBondContact N-O 2.95Å; G117-G120 PolarHBondContact O-N 2.84Å
121	V	67.4	Low	68.3	Low	3 Å²	3	39.5 Å²	39.5	2%	0.018	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	133.2	-176	-170.2	0	0	0	0	110.4	F116 W123 R138 S578	F116-V121 HydrophobicContact CD1-CG2 3.67Å; F116-V121 HydrophobicContact CE1-CG1 4.42Å; F116-V121 HydrophobicContact CE1-CG2 3.78Å; V121-W123 VanDerWaalsContact CG1-NE1 3.27Å; V121-R138 PolarHBondContact O-N 3.19Å; V121-S578 VanDerWaalsContact CG2-C 3.47Å; V121-S578 WeakPolarHBondContact CG2-O 3.49Å
122	V	80.6	Confident	69.8	Low	42 Å²	42	42 Å²	42	26%	0.255	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	127.1	171.5	-173.3	0	0	0	0	108.6	L114 G115 A135 L136 K137	L114-V122 HydrophobicContact CB-CB 4.49Å; L114-V122 HydrophobicContact CB-CG1 4.42Å; L114-V122 HydrophobicContact CD1-CG1 4.19Å; L114-V122 PolarHBondContact N-O 3.09Å; G115-V122 PolarHBondContact O-N 2.89Å; G115-V122 VanDerWaalsContact O-N 3.16Å; V122-A135 HydrophobicContact CG1-CB 3.99Å; V122-L136 WeakPolarHBondContact CA-O 3.4Å; V122-K137 HydrophobicContact CG2-CB 4.31Å; V122-K137 HydrophobicContact CG2-CG 4.26Å
123	W	80.5	Confident	70.9	Confident	12 Å²	12	41.6 Å²	41.6	5%	0.045	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	139.3	179.8	-76.3	75	0	0	0	111	E111 V121 V125 A135 L136 F575 S578	E111-W123 HydrophobicContact CB-CE3 4.5Å; E111-W123 HydrophobicContact CB-CZ3 4.5Å; V121-W123 VanDerWaalsContact CG1-NE1 3.27Å; W123-V125 HydrophobicContact CB-CG1 3.94Å; W123-A135 CarbonylContact O-C 3.5Å; W123-A135 WeakPolarHBondContact O-CA 3.37Å; W123-L136 HydrophobicContact CB-CB 4.26Å; W123-L136 PolarHBondContact N-O 3.37Å; W123-L136 PolarHBondContact O-N 3.06Å; W123-F575 AromaticContact CD1-CD2 3.93Å; W123-F575 HydrophobicContact CD2-CD2 4.03Å; W123-F575 AromaticContact CE2-CD2 3.99Å; W123-F575 HydrophobicContact CG-CD2 4.02Å; W123-F575 HydrophobicContact CG-CE2 4.32Å; W123-F575 VanDerWaalsContact CZ2-CA 3.49Å; W123-F575 HydrophobicContact CZ2-CB 4.39Å; W123-F575 AromaticContact NE1-CD2 3.9Å; W123-S578 WeakPolarHBondContact CZ2-OG 3.33Å; W123-S578 PolarHBondContact NE1-OG 3.23Å
124	L	82.7	Confident	72.5	Confident	23 Å²	23	39.4 Å²	39.4	12%	0.12	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	120	161.8	-177.5	58.9	0	0	0	107.9	E111 K112 L114 Q133 Y191	E111-L124 WeakPolarHBondContact CA-O 3.5Å; K112-L124 PolarHBondContact O-N 3.21Å; L114-L124 HydrophobicContact CD1-CB 3.87Å; L114-L124 HydrophobicContact CD2-CB 3.9Å; L114-L124 HydrophobicContact CG-CB 3.8Å; L124-Q133 HydrophobicContact CD1-CB 3.99Å; L124-Q133 HydrophobicContact CD1-CG 4.4Å; L124-Y191 HydrophobicContact CD1-CD1 4.08Å; L124-Y191 HydrophobicContact CD1-CD2 3.59Å; L124-Y191 HydrophobicContact CD1-CE1 4.33Å; L124-Y191 HydrophobicContact CD1-CE2 3.9Å; L124-Y191 HydrophobicContact CD1-CG 3.69Å
125	V	83.2	Confident	74.1	Confident	3 Å²	3	37.6 Å²	37.6	2%	0.018	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	168.5	179.2	-59.7	0	0	0	0	109.9	L75 W123 Q133 V134 L136 L188	L75-V125 HydrophobicContact CD1-CB 4.14Å; L75-V125 HydrophobicContact CD1-CG2 3.5Å; L75-V125 HydrophobicContact CG-CG2 4.48Å; W123-V125 HydrophobicContact CB-CG1 3.94Å; V125-Q133 WeakPolarHBondContact O-CA 3.49Å; V125-V134 HydrophobicContact CG2-CG2 3.59Å; V125-V134 PolarHBondContact N-O 2.78Å; V125-V134 PolarHBondContact O-N 2.99Å; V125-L136 HydrophobicContact CG1-CB 4.15Å; V125-L136 HydrophobicContact CG1-CD2 4.02Å; V125-L136 HydrophobicContact CG2-CB 3.72Å; V125-L136 HydrophobicContact CG2-CD2 4.33Å; V125-L188 HydrophobicContact CG2-CD2 4.16Å
126	V	80.8	Confident	75.8	Confident	23 Å²	23	36.4 Å²	36.4	14%	0.139	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	128.8	174.4	177.3	0	0	0	0	108.5	V107 M109 P128 D132	V107-V126 HydrophobicContact CB-CG1 4.4Å; V107-V126 HydrophobicContact CG1-CG1 4.23Å; V107-V126 HydrophobicContact CG1-CG2 3.94Å; V107-V126 HydrophobicContact CG2-CG1 4.45Å; M109-V126 HydrophobicContact CB-CG2 3.99Å; V126-P128 VanDerWaalsContact O-CD 3.27Å; V126-P128 WeakPolarHBondContact O-CD 3.32Å; V126-D132 CarbonylContact C-O 3.56Å; V126-D132 WeakPolarHBondContact CA-O 3.49Å
127	D	85	Confident	77.7	Confident	3 Å²	3	32.1 Å²	32.1	2%	0.016	20%	0.196	C	C	.	.			trans	-69.4	114	170.8	-171.7	-30.1	0	0	0	108.8	R129 T130 G131 D132 V134	D127-R129 PolarHBondContact O-N 3.31Å; D127-R129 VanDerWaalsContact OD1-CB 3.24Å; D127-R129 WeakPolarHBondContact OD1-CB 3.36Å; D127-R129 WeakPolarHBondContact OD1-CG 3.28Å; D127-R129 IonicContact OD1-CZ 3.64Å; D127-R129 PolarHBondContact OD1-N 2.99Å; D127-R129 IonicContact OD1-NE 2.88Å; D127-R129 PolarHBondContact OD1-NE 3Å; D127-R129 IonicContact OD1-NH2 3.03Å; D127-R129 IonicContact OD2-CZ 2.7Å; D127-R129 VanDerWaalsContact OD2-CZ 3.31Å; D127-R129 IonicContact OD2-NE 3.15Å; D127-R129 PolarHBondContact OD2-NE 3.27Å; D127-R129 VanDerWaalsContact OD2-NE 3.15Å; D127-R129 IonicContact OD2-NH2 3.93Å; D127-R129 PolarHBondContact OD2-NH2 3.31Å; D127-T130 PolarHBondContact O-N 2.75Å; D127-G131 WeakPolarHBondContact O-CA 3.49Å; D127-G131 PolarHBondContact O-N 2.9Å; D127-D132 PolarHBondContact N-O 2.83Å; D127-V134 HydrophobicContact CB-CG1 4.05Å; D127-V134 HydrophobicContact CB-CG2 4.18Å
128	P	83.8	Confident	79.5	Confident	21 Å²	21	30.7 Å²	30.7	14%	0.136	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-9.4	-175.2	30.4	-37.6	0	0	0	113.3	L75 V77 V126 V563	L75-P128 HydrophobicContact CB-CG 4.05Å; V77-P128 HydrophobicContact CG2-CB 3.79Å; V77-P128 HydrophobicContact CG2-CG 3.58Å; V126-P128 VanDerWaalsContact O-CD 3.27Å; V126-P128 WeakPolarHBondContact O-CD 3.32Å; P128-V563 HydrophobicContact CG-CG1 4.3Å
129	R	86.4	Confident	81.4	Confident	61 Å²	61	29 Å²	29	23%	0.23	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-38.1	177.7	-56.1	170.9	-67.4	-168.8	-4.9	112.3	V77 D127 D172 T561 V563	V77-R129 HydrophobicContact CG2-CG 3.71Å; D127-R129 PolarHBondContact O-N 3.31Å; D127-R129 VanDerWaalsContact OD1-CB 3.24Å; D127-R129 WeakPolarHBondContact OD1-CB 3.36Å; D127-R129 WeakPolarHBondContact OD1-CG 3.28Å; D127-R129 IonicContact OD1-CZ 3.64Å; D127-R129 PolarHBondContact OD1-N 2.99Å; D127-R129 IonicContact OD1-NE 2.88Å; D127-R129 PolarHBondContact OD1-NE 3Å; D127-R129 IonicContact OD1-NH2 3.03Å; D127-R129 IonicContact OD2-CZ 2.7Å; D127-R129 VanDerWaalsContact OD2-CZ 3.31Å; D127-R129 IonicContact OD2-NE 3.15Å; D127-R129 PolarHBondContact OD2-NE 3.27Å; D127-R129 VanDerWaalsContact OD2-NE 3.15Å; D127-R129 IonicContact OD2-NH2 3.93Å; D127-R129 PolarHBondContact OD2-NH2 3.31Å; R129-D172 IonicContact CZ-OD2 2.75Å; R129-D172 IonicContact NH1-OD2 2.78Å; R129-D172 PolarHBondContact NH1-OD2 3Å; R129-D172 IonicContact NH2-OD2 3.8Å; R129-T561 WeakPolarHBondContact CD-O 3.13Å; R129-T561 HydrophobicContact CG-CG2 4.04Å; R129-T561 PolarHBondContact NH1-O 3.12Å; R129-V563 HydrophobicContact CG-CG2 4.28Å; R129-V563 VanDerWaalsContact CZ-CG2 3.43Å
130	T	86.3	Confident	83	Confident	83 Å²	83	28.7 Å²	28.7	51%	0.509	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-22.1	-172.5	65.5	0	0	0	0	113.3	D127 D132	D127-T130 PolarHBondContact O-N 2.75Å; T130-D132 VanDerWaalsContact C-N 3.27Å; T130-D132 VanDerWaalsContact CB-OD2 3.25Å; T130-D132 WeakPolarHBondContact CB-OD2 3.49Å; T130-D132 WeakPolarHBondContact OG1-CB 3.41Å; T130-D132 PolarHBondContact OG1-N 3.32Å; T130-D132 PolarHBondContact OG1-OD2 3.35Å
131	G	82.6	Confident	84.3	Confident	38 Å²	38	31.8 Å²	31.8	39%	0.392	18%	0.179	S	C	.	.			trans	81.8	1.9	-170.5	0	0	0	0	0	113.8	D127	D127-G131 WeakPolarHBondContact O-CA 3.49Å; D127-G131 PolarHBondContact O-N 2.9Å
132	D	87.5	Confident	85.4	Confident	95 Å²	95	31.7 Å²	31.7	51%	0.508	18%	0.178	S	C	.	.			trans	-75.1	148.9	-178.1	-62	-41.6	0	0	0	112	V126 D127 T130 V134	V126-D132 CarbonylContact C-O 3.56Å; V126-D132 WeakPolarHBondContact CA-O 3.49Å; D127-D132 PolarHBondContact N-O 2.83Å; T130-D132 VanDerWaalsContact C-N 3.27Å; T130-D132 VanDerWaalsContact CB-OD2 3.25Å; T130-D132 WeakPolarHBondContact CB-OD2 3.49Å; T130-D132 WeakPolarHBondContact OG1-CB 3.41Å; T130-D132 PolarHBondContact OG1-N 3.32Å; T130-D132 PolarHBondContact OG1-OD2 3.35Å; D132-V134 HydrophobicContact CB-CG1 4.48Å
133	Q	85.7	Confident	85.8	Confident	81 Å²	81	31.5 Å²	31.5	38%	0.379	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	128.9	168.4	-74.5	-176.9	-14.5	0	0	110.7	M109 L124 V125	M109-Q133 PolarHBondContact SD-NE2 2.85Å; L124-Q133 HydrophobicContact CD1-CB 3.99Å; L124-Q133 HydrophobicContact CD1-CG 4.4Å; V125-Q133 WeakPolarHBondContact O-CA 3.49Å
134	V	90.2	Very high	86.2	Confident	2 Å²	2	37.2 Å²	37.2	1%	0.012	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	156	-176.7	-58.8	0	0	0	0	110.9	V125 D127 D132 I171 L188	V125-V134 HydrophobicContact CG2-CG2 3.59Å; V125-V134 PolarHBondContact N-O 2.78Å; V125-V134 PolarHBondContact O-N 2.99Å; D127-V134 HydrophobicContact CB-CG1 4.05Å; D127-V134 HydrophobicContact CB-CG2 4.18Å; D132-V134 HydrophobicContact CB-CG1 4.48Å; V134-I171 HydrophobicContact CB-CD1 3.98Å; V134-I171 HydrophobicContact CG1-CD1 3.34Å; V134-L188 HydrophobicContact CG2-CD2 3.89Å
135	A	90.9	Very high	86.5	Confident	11 Å²	11	38.2 Å²	38.2	9%	0.091	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	121.6	175.5	0	0	0	0	0	110.2	L114 V122 W123 L188 C189	L114-A135 HydrophobicContact CD1-CB 4.49Å; V122-A135 HydrophobicContact CG1-CB 3.99Å; W123-A135 CarbonylContact O-C 3.5Å; W123-A135 WeakPolarHBondContact O-CA 3.37Å; A135-L188 CarbonylContact O-C 3.56Å; A135-L188 WeakPolarHBondContact O-CA 2.96Å; A135-C189 PolarHBondContact N-O 3.01Å; A135-C189 PolarHBondContact O-N 3.02Å
136	L	89.6	Confident	86.9	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	102.2	174.9	174.6	58.8	0	0	0	109.6	L75 V122 W123 V125 V174 V187 L188 F575	L75-L136 HydrophobicContact CD1-CD2 4.46Å; L75-L136 HydrophobicContact CD2-CD2 4.01Å; L75-L136 HydrophobicContact CG-CD2 4.44Å; V122-L136 WeakPolarHBondContact CA-O 3.4Å; W123-L136 HydrophobicContact CB-CB 4.26Å; W123-L136 PolarHBondContact N-O 3.37Å; W123-L136 PolarHBondContact O-N 3.06Å; V125-L136 HydrophobicContact CG1-CB 4.15Å; V125-L136 HydrophobicContact CG1-CD2 4.02Å; V125-L136 HydrophobicContact CG2-CB 3.72Å; V125-L136 HydrophobicContact CG2-CD2 4.33Å; L136-V174 HydrophobicContact CD1-CG2 3.89Å; L136-V187 WeakPolarHBondContact CA-O 3.43Å; L136-L188 HydrophobicContact CB-CD2 3.91Å; L136-L188 HydrophobicContact CD1-CD2 3.74Å; L136-L188 HydrophobicContact CD1-CG 4.43Å; L136-L188 HydrophobicContact CG-CD2 4.34Å; L136-F575 HydrophobicContact CD2-CD2 4.34Å; L136-F575 HydrophobicContact CD2-CE2 3.32Å; L136-F575 HydrophobicContact CD2-CZ 3.66Å; L136-F575 HydrophobicContact CG-CE2 3.99Å; L136-F575 HydrophobicContact CG-CZ 4.31Å
137	K	88.7	Confident	87.2	Confident	34 Å²	34	42 Å²	42	15%	0.148	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	118.9	174	-177.6	175.8	-178.5	178.3	0	108.8	V122 E155 S186 V187 D252	V122-K137 HydrophobicContact CG2-CB 4.31Å; V122-K137 HydrophobicContact CG2-CG 4.26Å; K137-E155 IonicContact NZ-OE1 3.85Å; K137-E155 PolarHBondContact NZ-OE1 2.78Å; K137-S186 WeakPolarHBondContact O-CA 2.97Å; K137-V187 PolarHBondContact N-O 2.92Å; K137-V187 PolarHBondContact O-N 3.27Å; K137-D252 IonicContact NZ-OD1 3.19Å; K137-D252 PolarHBondContact NZ-OD1 2.93Å
138	R	86	Confident	87.3	Confident	7 Å²	7	43.7 Å²	43.7	3%	0.026	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	134.6	170	-57.8	178.4	78.7	-160.4	-13.3	109.6	V121 P140 E184 F575 S579	V121-R138 PolarHBondContact O-N 3.19Å; R138-P140 WeakPolarHBondContact O-CD 3.21Å; R138-E184 IonicContact CZ-OE1 2.75Å; R138-E184 IonicContact CZ-OE2 2.73Å; R138-E184 IonicContact NE-OE1 3.67Å; R138-E184 PolarHBondContact NE-OE1 2.78Å; R138-E184 IonicContact NH2-OE1 3.44Å; R138-E184 PolarHBondContact NH2-OE1 3.14Å; R138-E184 IonicContact NH2-OE2 3.31Å; R138-E184 PolarHBondContact NH2-OE2 2.91Å; R138-F575 VanDerWaalsContact CD-CE2 3.44Å; R138-F575 HydrophobicContact CG-CE2 3.91Å; R138-F575 HydrophobicContact CG-CZ 3.64Å; R138-F575 PolarHBondContact NH1-O 3.46Å; R138-S579 PolarHBondContact NH1-OG 2.83Å
139	I	87.2	Confident	87.7	Confident	16 Å²	16	42.7 Å²	42.7	8%	0.082	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	91.6	172.4	-50.7	174.3	0	0	0	106.4	I142 A152 E155 E184 V185 V187	I139-I142 HydrophobicContact CB-CD1 4.32Å; I139-I142 HydrophobicContact CB-CG1 4.39Å; I139-I142 HydrophobicContact CG2-CD1 4.22Å; I139-I142 HydrophobicContact CG2-CG1 3.84Å; I139-I142 WeakPolarHBondContact O-CD1 3.47Å; I139-I142 WeakPolarHBondContact O-CG1 3.5Å; I139-A152 HydrophobicContact CG2-CB 4.27Å; I139-E155 HydrophobicContact CD1-CG 4.06Å; I139-E184 VanDerWaalsContact O-CA 3.23Å; I139-E184 WeakPolarHBondContact O-CA 3.37Å; I139-E184 VanDerWaalsContact O-CB 3.29Å; I139-E184 WeakPolarHBondContact O-CB 3.41Å; I139-V185 PolarHBondContact N-O 3.35Å; I139-V185 PolarHBondContact O-N 2.96Å; I139-V185 VanDerWaalsContact O-N 3.1Å; I139-V187 HydrophobicContact CD1-CG2 4.48Å
140	P	82.4	Confident	87.9	Confident	32 Å²	32	41.5 Å²	41.5	21%	0.208	23%	0.233	C	C	.	.			trans	-73.5	165.6	-179.9	32.6	-34.3	0	0	0	110.8	F119 R138 I142	F119-P140 WeakPolarHBondContact O-CD 3.45Å; R138-P140 WeakPolarHBondContact O-CD 3.21Å; P140-I142 PolarHBondContact O-N 2.95Å
141	N	83.6	Confident	88	Confident	78 Å²	78	40.1 Å²	40.1	42%	0.417	22%	0.218	S	C	.	.			trans	53.9	36.5	161.6	-62.7	-7.6	0	0	0	115.5	F143 E144 S183	N141-F143 PolarHBondContact O-N 3.42Å; N141-F143 VanDerWaalsContact O-N 3.09Å; N141-E144 HydrophobicContact CB-CG 3.78Å; N141-E144 VanDerWaalsContact CB-OE1 3.22Å; N141-E144 WeakPolarHBondContact CB-OE1 2.99Å; N141-E144 PolarHBondContact ND2-OE1 3.24Å; N141-E144 PolarHBondContact O-N 3.29Å; N141-E144 VanDerWaalsContact O-N 3.12Å; N141-S183 PolarHBondContact N-O 3.14Å
142	I	88.8	Confident	88.5	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.005	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-31.9	-174.4	-64.3	171.8	0	0	0	111.5	I139 P140 S148 A149 A152 S183 V185 L546	I139-I142 HydrophobicContact CB-CD1 4.32Å; I139-I142 HydrophobicContact CB-CG1 4.39Å; I139-I142 HydrophobicContact CG2-CD1 4.22Å; I139-I142 HydrophobicContact CG2-CG1 3.84Å; I139-I142 WeakPolarHBondContact O-CD1 3.47Å; I139-I142 WeakPolarHBondContact O-CG1 3.5Å; P140-I142 PolarHBondContact O-N 2.95Å; I142-S148 CarbonylContact O-C 3.59Å; I142-S148 WeakPolarHBondContact O-CB 3.43Å; I142-A149 HydrophobicContact CG2-CB 4.27Å; I142-A149 VanDerWaalsContact O-CA 3.32Å; I142-A149 WeakPolarHBondContact O-CA 3.49Å; I142-A149 WeakPolarHBondContact O-CB 3.48Å; I142-A149 PolarHBondContact O-N 3.43Å; I142-A152 HydrophobicContact CB-CB 4.44Å; I142-A152 HydrophobicContact CD1-CB 4.12Å; I142-A152 HydrophobicContact CG1-CB 4.02Å; I142-A152 HydrophobicContact CG2-CB 3.6Å; I142-S183 PolarHBondContact N-O 2.81Å; I142-V185 HydrophobicContact CD1-CB 3.66Å; I142-V185 HydrophobicContact CD1-CG2 3.41Å; I142-V185 VanDerWaalsContact CD1-CG2 3.41Å; I142-V185 VanDerWaalsContact CD1-N 3.33Å; I142-L546 HydrophobicContact CG2-CD1 3.5Å
143	F	90.8	Very high	88.8	Confident	37 Å²	37	34.9 Å²	34.9	16%	0.162	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	18.9	-176	-51.3	-63.1	0	0	0	114.1	N141 S145 A149 F182 L539 K543 L546	N141-F143 PolarHBondContact O-N 3.42Å; N141-F143 VanDerWaalsContact O-N 3.09Å; F143-S145 VanDerWaalsContact C-N 3.32Å; F143-A149 HydrophobicContact CD1-CB 4.4Å; F143-F182 AromaticContact CE2-CD2 3.87Å; F143-F182 HydrophobicContact CE2-CD2 3.87Å; F143-F182 HydrophobicContact CE2-CE1 4.43Å; F143-F182 AromaticContact CE2-CE2 3.56Å; F143-F182 HydrophobicContact CE2-CE2 3.56Å; F143-F182 HydrophobicContact CE2-CG 4.44Å; F143-F182 AromaticContact CE2-CZ 3.86Å; F143-F182 HydrophobicContact CE2-CZ 3.86Å; F143-F182 WeakPolarHBondContact CE2-O 3.44Å; F143-F182 HydrophobicContact CZ-CD2 4.23Å; F143-F182 HydrophobicContact CZ-CE1 4.36Å; F143-F182 AromaticContact CZ-CE2 3.44Å; F143-F182 HydrophobicContact CZ-CE2 3.44Å; F143-F182 VanDerWaalsContact CZ-CE2 3.44Å; F143-F182 AromaticContact CZ-CZ 3.52Å; F143-F182 HydrophobicContact CZ-CZ 3.52Å; F143-L539 HydrophobicContact CB-CD2 4.47Å; F143-L539 WeakPolarHBondContact O-CD1 3.39Å; F143-L539 WeakPolarHBondContact O-CD2 3.42Å; F143-K543 HydrophobicContact CD1-CB 4.11Å; F143-K543 HydrophobicContact CD2-CD 4.43Å; F143-K543 HydrophobicContact CD2-CG 4.5Å; F143-K543 HydrophobicContact CE1-CB 3.68Å; F143-K543 HydrophobicContact CE1-CG 4.02Å; F143-K543 HydrophobicContact CE2-CB 4.45Å; F143-K543 HydrophobicContact CE2-CD 4.21Å; F143-K543 HydrophobicContact CE2-CG 3.93Å; F143-K543 HydrophobicContact CZ-CB 3.88Å; F143-K543 HydrophobicContact CZ-CD 4.42Å; F143-K543 HydrophobicContact CZ-CG 3.67Å; F143-L546 HydrophobicContact CE1-CD1 3.6Å; F143-L546 HydrophobicContact CZ-CB 4.49Å; F143-L546 HydrophobicContact CZ-CD1 3.94Å
144	E	88.5	Confident	89.2	Confident	133 Å²	133	31.1 Å²	31.1	62%	0.621	16%	0.163	S	C	*	.	S	Bend	trans	-67.8	-34.5	168.7	-84.4	177.6	-176.5	0	0	112.2	N141	N141-E144 HydrophobicContact CB-CG 3.78Å; N141-E144 VanDerWaalsContact CB-OE1 3.22Å; N141-E144 WeakPolarHBondContact CB-OE1 2.99Å; N141-E144 PolarHBondContact ND2-OE1 3.24Å; N141-E144 PolarHBondContact O-N 3.29Å; N141-E144 VanDerWaalsContact O-N 3.12Å
145	S	89.2	Confident	89.3	Confident	44 Å²	44	31.4 Å²	31.4	31%	0.308	16%	0.164	S	C	.	.			trans	-148.9	157.5	178.3	78	0	0	0	0	111	F143 V147 S148 A149	F143-S145 VanDerWaalsContact C-N 3.32Å; S145-V147 PolarHBondContact O-N 2.85Å; S145-V147 PolarHBondContact OG-N 3.02Å; S145-S148 PolarHBondContact O-N 3.47Å; S145-S148 PolarHBondContact OG-N 2.99Å; S145-S148 PolarHBondContact OG-OG 2.79Å; S145-A149 PolarHBondContact O-N 3.48Å
146	I	90.6	Very high	89.5	Confident	44 Å²	44	30.9 Å²	30.9	23%	0.226	16%	0.16	C	C	.	.	H	α-helix	trans	-60.3	-35.6	173.2	-59.8	-65.5	0	0	0	111	A149 K150 M536 N538 L539 A542	I146-A149 PolarHBondContact O-N 2.9Å; I146-K150 HydrophobicContact CG2-CD 4.28Å; I146-K150 HydrophobicContact CG2-CG 4.36Å; I146-K150 WeakPolarHBondContact O-CB 3.2Å; I146-K150 WeakPolarHBondContact O-CG 3.37Å; I146-K150 PolarHBondContact O-N 3.44Å; I146-M536 HydrophobicContact CG2-CB 4Å; I146-M536 WeakPolarHBondContact CG2-O 3.5Å; I146-N538 WeakPolarHBondContact CD1-O 3.2Å; I146-L539 HydrophobicContact CD1-CD2 3.82Å; I146-L539 HydrophobicContact CD1-CG 4.08Å; I146-L539 HydrophobicContact CG1-CD2 4.37Å; I146-A542 HydrophobicContact CD1-CB 4.49Å
147	V	87.1	Confident	89.8	Confident	60 Å²	60	33.3 Å²	33.3	36%	0.364	17%	0.17	S	C	.	.	H	α-helix	trans	-63	-47.4	177.9	-179.7	0	0	0	0	110.3	S145 A149 K150 R151	S145-V147 PolarHBondContact O-N 2.85Å; S145-V147 PolarHBondContact OG-N 3.02Å; V147-A149 VanDerWaalsContact C-N 3.33Å; V147-A149 PolarHBondContact O-N 3.04Å; V147-K150 PolarHBondContact O-N 2.77Å; V147-R151 WeakPolarHBondContact O-CG 3.33Å; V147-R151 PolarHBondContact O-N 3.15Å
148	S	86.9	Confident	90.1	Very high	39 Å²	39	31.7 Å²	31.7	27%	0.273	16%	0.163	S	C	.	.	H	α-helix	trans	-58.7	-44.6	175.4	-57.7	0	0	0	0	111.5	I142 S145 K150 R151 A152	I142-S148 CarbonylContact O-C 3.59Å; I142-S148 WeakPolarHBondContact O-CB 3.43Å; S145-S148 PolarHBondContact O-N 3.47Å; S145-S148 PolarHBondContact OG-N 2.99Å; S145-S148 PolarHBondContact OG-OG 2.79Å; S148-K150 PolarHBondContact O-N 3.27Å; S148-R151 PolarHBondContact O-N 2.88Å; S148-A152 PolarHBondContact O-N 2.95Å
149	A	91.7	Very high	90.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-63.5	-42.7	179.1	0	0	0	0	0	112.5	I142 F143 S145 I146 V147 A152 Y153 M536 A542 L546	I142-A149 HydrophobicContact CG2-CB 4.27Å; I142-A149 VanDerWaalsContact O-CA 3.32Å; I142-A149 WeakPolarHBondContact O-CA 3.49Å; I142-A149 WeakPolarHBondContact O-CB 3.48Å; I142-A149 PolarHBondContact O-N 3.43Å; F143-A149 HydrophobicContact CD1-CB 4.4Å; S145-A149 PolarHBondContact O-N 3.48Å; I146-A149 PolarHBondContact O-N 2.9Å; V147-A149 VanDerWaalsContact C-N 3.33Å; V147-A149 PolarHBondContact O-N 3.04Å; A149-A152 PolarHBondContact O-N 3.38Å; A149-Y153 WeakPolarHBondContact O-CB 3.42Å; A149-Y153 PolarHBondContact O-N 2.77Å; A149-M536 HydrophobicContact CB-SD 4.18Å; A149-A542 HydrophobicContact CB-CB 3.77Å; A149-L546 HydrophobicContact CB-CD1 4.23Å
150	K	91	Very high	90.9	Very high	37 Å²	37	31.5 Å²	31.5	16%	0.161	16%	0.162	C	C	.	.	H	α-helix	trans	-63.6	-41.3	174.5	-73.5	-178.4	178.9	-173.5	0	112	I146 V147 S148 Y153 R154 E265 M536	I146-K150 HydrophobicContact CG2-CD 4.28Å; I146-K150 HydrophobicContact CG2-CG 4.36Å; I146-K150 WeakPolarHBondContact O-CB 3.2Å; I146-K150 WeakPolarHBondContact O-CG 3.37Å; I146-K150 PolarHBondContact O-N 3.44Å; V147-K150 PolarHBondContact O-N 2.77Å; S148-K150 PolarHBondContact O-N 3.27Å; K150-Y153 PolarHBondContact O-N 2.91Å; K150-R154 WeakPolarHBondContact O-CG 3.45Å; K150-R154 PolarHBondContact O-N 3.29Å; K150-E265 WeakPolarHBondContact CD-OE1 3.33Å; K150-E265 WeakPolarHBondContact CE-OE1 3.24Å; K150-E265 IonicContact NZ-OE1 3.73Å; K150-E265 PolarHBondContact NZ-OE1 2.89Å; K150-M536 HydrophobicContact CG-CG 4.4Å; K150-M536 HydrophobicContact CG-SD 3.62Å
151	R	90	Very high	91.4	Very high	53 Å²	53	31.1 Å²	31.1	20%	0.2	16%	0.16	C	C	.	.	H	α-helix	trans	-60.1	-46.7	175.9	-70.1	-178.2	-178.6	-176.9	-6	111.4	V147 S148 Y153 R154 E155 G254 E274	V147-R151 WeakPolarHBondContact O-CG 3.33Å; V147-R151 PolarHBondContact O-N 3.15Å; S148-R151 PolarHBondContact O-N 2.88Å; R151-Y153 VanDerWaalsContact C-N 3.33Å; R151-Y153 PolarHBondContact O-N 2.97Å; R151-R154 PolarHBondContact O-N 2.68Å; R151-E155 WeakPolarHBondContact O-CB 3.48Å; R151-E155 PolarHBondContact O-N 2.86Å; R151-G254 WeakPolarHBondContact CA-O 3.42Å; R151-G254 WeakPolarHBondContact CG-O 3.06Å; R151-E274 IonicContact CZ-OE1 2.75Å; R151-E274 IonicContact NH1-OE1 2.89Å; R151-E274 IonicContact NH2-OE1 2.78Å; R151-E274 PolarHBondContact NH2-OE1 2.82Å
152	A	91.4	Very high	91.9	Very high	3 Å²	3	27.7 Å²	27.7	3%	0.025	14%	0.142	C	C	.	.	H	α-helix	trans	-62.4	-40.1	176	0	0	0	0	0	112.2	I139 I142 S148 A149 L156 L546	I139-A152 HydrophobicContact CG2-CB 4.27Å; I142-A152 HydrophobicContact CB-CB 4.44Å; I142-A152 HydrophobicContact CD1-CB 4.12Å; I142-A152 HydrophobicContact CG1-CB 4.02Å; I142-A152 HydrophobicContact CG2-CB 3.6Å; S148-A152 PolarHBondContact O-N 2.95Å; A149-A152 PolarHBondContact O-N 3.38Å; A152-L156 VanDerWaalsContact O-CG 3.32Å; A152-L156 WeakPolarHBondContact O-CG 3.41Å; A152-L156 PolarHBondContact O-N 3.23Å; A152-L546 HydrophobicContact CB-CD2 4.46Å
153	Y	94.4	Very high	92	Very high	21 Å²	21	35.5 Å²	35.5	8%	0.082	17%	0.171	C	C	.	.	H	α-helix	trans	-60.9	-48.2	176.2	173.4	-91	0	0	0	111.7	A149 K150 R151 L156 K157 I534 M536 I545 L546 L549	A149-Y153 WeakPolarHBondContact O-CB 3.42Å; A149-Y153 PolarHBondContact O-N 2.77Å; K150-Y153 PolarHBondContact O-N 2.91Å; R151-Y153 VanDerWaalsContact C-N 3.33Å; R151-Y153 PolarHBondContact O-N 2.97Å; Y153-L156 PolarHBondContact O-N 3.19Å; Y153-K157 HydrophobicContact CE1-CB 4.33Å; Y153-K157 HydrophobicContact CE1-CG 4.44Å; Y153-K157 WeakPolarHBondContact O-CB 3.25Å; Y153-K157 PolarHBondContact O-N 3.38Å; Y153-I534 HydrophobicContact CD1-CB 4.48Å; Y153-I534 HydrophobicContact CD1-CG2 3.55Å; Y153-I534 HydrophobicContact CE1-CB 4Å; Y153-I534 HydrophobicContact CE1-CD1 4.35Å; Y153-I534 HydrophobicContact CE1-CG2 3.56Å; Y153-I534 HydrophobicContact CE2-CD1 3.93Å; Y153-I534 HydrophobicContact CG-CG2 4.08Å; Y153-M536 HydrophobicContact CD2-CE 4.2Å; Y153-M536 HydrophobicContact CG-CE 4.05Å; Y153-I545 HydrophobicContact CD2-CG2 3.74Å; Y153-I545 HydrophobicContact CE2-CG2 3.75Å; Y153-L546 HydrophobicContact CD2-CD2 4.47Å; Y153-L549 HydrophobicContact CD2-CD2 3.65Å; Y153-L549 HydrophobicContact CE2-CB 4.41Å; Y153-L549 HydrophobicContact CE2-CD1 4.4Å; Y153-L549 HydrophobicContact CE2-CD2 3.77Å; Y153-L549 HydrophobicContact CE2-CG 4.4Å; Y153-L549 HydrophobicContact CG-CD2 4.43Å
154	R	93.5	Very high	92.2	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.008	17%	0.17	C	C	.	.	H	α-helix	trans	-62.1	-46.3	179.7	-66.8	-173.2	-170.6	103.2	-5.4	111.6	K150 R151 L156 K157 L158 A256 R257 E265 E533	K150-R154 WeakPolarHBondContact O-CG 3.45Å; K150-R154 PolarHBondContact O-N 3.29Å; R151-R154 PolarHBondContact O-N 2.68Å; R154-L156 PolarHBondContact O-N 3.32Å; R154-K157 PolarHBondContact O-N 2.95Å; R154-L158 WeakPolarHBondContact O-CB 3.49Å; R154-L158 WeakPolarHBondContact O-CG 3.47Å; R154-L158 PolarHBondContact O-N 3.44Å; R154-A256 WeakPolarHBondContact CD-O 3.31Å; R154-R257 VanDerWaalsContact NH1-CZ 3.31Å; R154-R257 VanDerWaalsContact NH1-NH1 3.16Å; R154-R257 VanDerWaalsContact NH2-CZ 3.27Å; R154-E265 IonicContact NH1-OE2 3.7Å; R154-E265 IonicContact NH2-OE1 3.66Å; R154-E265 IonicContact NH2-OE2 3.6Å; R154-E533 IonicContact CZ-OE2 3.73Å; R154-E533 IonicContact NE-OE1 2.68Å; R154-E533 IonicContact NE-OE2 3.63Å; R154-E533 IonicContact NH2-OE2 3.74Å; R154-E533 PolarHBondContact NH2-OE2 3.45Å
155	E	94	Very high	92.4	Very high	8 Å²	8	30.9 Å²	30.9	4%	0.037	16%	0.155	C	C	.	.	H	α-helix	trans	-53.6	-54.3	175.4	179	73.8	164.8	0	0	111.1	K137 I139 R151 L158 L159 F253 G254	K137-E155 IonicContact NZ-OE1 3.85Å; K137-E155 PolarHBondContact NZ-OE1 2.78Å; I139-E155 HydrophobicContact CD1-CG 4.06Å; R151-E155 WeakPolarHBondContact O-CB 3.48Å; R151-E155 PolarHBondContact O-N 2.86Å; E155-L158 PolarHBondContact O-N 2.99Å; E155-L159 HydrophobicContact CG-CD1 3.92Å; E155-L159 VanDerWaalsContact O-CB 3.31Å; E155-L159 WeakPolarHBondContact O-CB 3.13Å; E155-L159 VanDerWaalsContact O-CG 3.24Å; E155-L159 WeakPolarHBondContact O-CG 3.35Å; E155-L159 PolarHBondContact O-N 3.45Å; E155-F253 VanDerWaalsContact OE2-CA 3.28Å; E155-F253 WeakPolarHBondContact OE2-CA 3.41Å; E155-F253 WeakPolarHBondContact OE2-CB 3.43Å; E155-F253 PolarHBondContact OE2-N 2.73Å; E155-G254 PolarHBondContact OE2-N 3.14Å
156	L	94.9	Very high	92.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-65.5	-45.7	-178.9	-67.4	174	0	0	0	112.1	A152 Y153 R154 L158 L159 F160 V185 V187 L546 L549 I550	A152-L156 VanDerWaalsContact O-CG 3.32Å; A152-L156 WeakPolarHBondContact O-CG 3.41Å; A152-L156 PolarHBondContact O-N 3.23Å; Y153-L156 PolarHBondContact O-N 3.19Å; R154-L156 PolarHBondContact O-N 3.32Å; L156-L158 VanDerWaalsContact C-N 3.27Å; L156-L158 PolarHBondContact O-N 3.24Å; L156-L159 PolarHBondContact O-N 3.47Å; L156-F160 HydrophobicContact CB-CE1 4.36Å; L156-F160 HydrophobicContact CB-CE2 4.32Å; L156-F160 HydrophobicContact CB-CZ 4.07Å; L156-F160 HydrophobicContact CD2-CE1 4.17Å; L156-F160 HydrophobicContact CD2-CZ 4.16Å; L156-F160 WeakPolarHBondContact O-CB 3.48Å; L156-F160 WeakPolarHBondContact O-CD1 3.27Å; L156-F160 WeakPolarHBondContact O-CG 3.39Å; L156-F160 PolarHBondContact O-N 3.35Å; L156-V185 HydrophobicContact CD1-CG1 4.05Å; L156-V185 HydrophobicContact CD1-CG2 4.38Å; L156-V185 HydrophobicContact CD2-CG1 3.99Å; L156-V187 HydrophobicContact CD2-CG2 3.68Å; L156-L546 HydrophobicContact CD1-CD2 3.93Å; L156-L549 HydrophobicContact CB-CD2 3.87Å; L156-I550 HydrophobicContact CD1-CD1 4.22Å; L156-I550 HydrophobicContact CD1-CG1 4.19Å
157	K	95.2	Very high	93.1	Very high	51 Å²	51	26.8 Å²	26.8	22%	0.222	13%	0.13	C	C	.	.	H	α-helix	trans	-57.6	-42.8	-179.1	-178.9	67.6	177.2	-169.2	0	111.4	Y153 R154 S161 L549	Y153-K157 HydrophobicContact CE1-CB 4.33Å; Y153-K157 HydrophobicContact CE1-CG 4.44Å; Y153-K157 WeakPolarHBondContact O-CB 3.25Å; Y153-K157 PolarHBondContact O-N 3.38Å; R154-K157 PolarHBondContact O-N 2.95Å; K157-S161 PolarHBondContact O-OG 3.38Å; K157-L549 HydrophobicContact CB-CD2 4.27Å; K157-L549 HydrophobicContact CD-CD1 3.84Å
158	L	95.3	Very high	93.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-73	-47.9	178.6	-70.9	172	0	0	0	111.5	R154 E155 L156 F160 S161 L162 V230 F253 A256 I530 T532	R154-L158 WeakPolarHBondContact O-CB 3.49Å; R154-L158 WeakPolarHBondContact O-CG 3.47Å; R154-L158 PolarHBondContact O-N 3.44Å; E155-L158 PolarHBondContact O-N 2.99Å; L156-L158 VanDerWaalsContact C-N 3.27Å; L156-L158 PolarHBondContact O-N 3.24Å; L158-F160 PolarHBondContact O-N 3.48Å; L158-F160 VanDerWaalsContact O-N 3.15Å; L158-S161 PolarHBondContact O-N 2.87Å; L158-L162 HydrophobicContact CB-CD1 3.91Å; L158-L162 HydrophobicContact CB-CG 4.42Å; L158-L162 HydrophobicContact CD2-CD1 4.27Å; L158-L162 HydrophobicContact CD2-CG 4.49Å; L158-L162 WeakPolarHBondContact O-CB 3.46Å; L158-L162 VanDerWaalsContact O-CG 3.27Å; L158-L162 WeakPolarHBondContact O-CG 3.27Å; L158-L162 PolarHBondContact O-N 3.34Å; L158-V230 HydrophobicContact CD1-CG1 3.97Å; L158-V230 HydrophobicContact CD2-CB 4.41Å; L158-V230 HydrophobicContact CD2-CG1 3.95Å; L158-V230 HydrophobicContact CD2-CG2 3.56Å; L158-F253 HydrophobicContact CB-CB 4.23Å; L158-F253 HydrophobicContact CB-CG 4.36Å; L158-F253 HydrophobicContact CD1-CB 3.55Å; L158-F253 HydrophobicContact CD1-CD1 4.45Å; L158-F253 HydrophobicContact CD1-CG 4.16Å; L158-A256 HydrophobicContact CD1-CB 3.58Å; L158-I530 HydrophobicContact CD2-CB 4.47Å; L158-I530 HydrophobicContact CD2-CD1 4.24Å; L158-I530 HydrophobicContact CD2-CG2 3.98Å; L158-T532 HydrophobicContact CD1-CG2 4Å; L158-T532 HydrophobicContact CD2-CG2 3.66Å; L158-T532 HydrophobicContact CG-CG2 3.81Å
159	L	95.6	Very high	93.9	Very high	8 Å²	8	28.7 Å²	28.7	4%	0.042	13%	0.126	C	C	.	.	H	α-helix	trans	-58.3	-29.1	175.7	-74.5	177.2	0	0	0	113.2	E155 L156 S161 V168 L170 V187 F253	E155-L159 HydrophobicContact CG-CD1 3.92Å; E155-L159 VanDerWaalsContact O-CB 3.31Å; E155-L159 WeakPolarHBondContact O-CB 3.13Å; E155-L159 VanDerWaalsContact O-CG 3.24Å; E155-L159 WeakPolarHBondContact O-CG 3.35Å; E155-L159 PolarHBondContact O-N 3.45Å; L156-L159 PolarHBondContact O-N 3.47Å; L159-S161 VanDerWaalsContact C-N 3.28Å; L159-S161 PolarHBondContact O-N 2.89Å; L159-V168 HydrophobicContact CD2-CG1 3.88Å; L159-L170 HydrophobicContact CB-CB 4.23Å; L159-L170 HydrophobicContact CB-CD2 4.34Å; L159-L170 WeakPolarHBondContact O-CB 3.02Å; L159-V187 HydrophobicContact CD1-CG1 4.07Å; L159-F253 HydrophobicContact CD2-CD2 4.24Å; L159-F253 HydrophobicContact CD2-CE2 4.11Å; L159-F253 HydrophobicContact CG-CD2 4.47Å
160	F	94.5	Very high	94.1	Very high	10 Å²	10	29.7 Å²	29.7	4%	0.044	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-16.9	176.6	-67.6	-1.8	0	0	0	113.7	L156 L158 L170 V173 L549 Y553 R556	L156-F160 HydrophobicContact CB-CE1 4.36Å; L156-F160 HydrophobicContact CB-CE2 4.32Å; L156-F160 HydrophobicContact CB-CZ 4.07Å; L156-F160 HydrophobicContact CD2-CE1 4.17Å; L156-F160 HydrophobicContact CD2-CZ 4.16Å; L156-F160 WeakPolarHBondContact O-CB 3.48Å; L156-F160 WeakPolarHBondContact O-CD1 3.27Å; L156-F160 WeakPolarHBondContact O-CG 3.39Å; L156-F160 PolarHBondContact O-N 3.35Å; L158-F160 PolarHBondContact O-N 3.48Å; L158-F160 VanDerWaalsContact O-N 3.15Å; F160-L170 HydrophobicContact CD1-CD2 3.27Å; F160-L170 HydrophobicContact CE1-CD2 3.53Å; F160-V173 HydrophobicContact CE1-CG2 3.41Å; F160-V173 VanDerWaalsContact CE1-CG2 3.41Å; F160-V173 HydrophobicContact CZ-CG2 3.66Å; F160-L549 HydrophobicContact CD2-CD1 4.15Å; F160-L549 HydrophobicContact CD2-CG 4.16Å; F160-L549 HydrophobicContact CE2-CD1 4.36Å; F160-L549 HydrophobicContact CE2-CD2 4.38Å; F160-L549 HydrophobicContact CE2-CG 3.87Å; F160-Y553 HydrophobicContact CB-CD2 4.3Å; F160-Y553 AromaticContact CD1-CD2 3.62Å; F160-Y553 HydrophobicContact CD1-CD2 3.62Å; F160-Y553 AromaticContact CD1-CE2 3.98Å; F160-Y553 HydrophobicContact CD1-CE2 3.98Å; F160-Y553 HydrophobicContact CD1-CG 4.12Å; F160-Y553 HydrophobicContact CD2-CD2 4Å; F160-Y553 HydrophobicContact CD2-CG 4.11Å; F160-Y553 HydrophobicContact CE1-CD1 4.35Å; F160-Y553 AromaticContact CE1-CD2 3.87Å; F160-Y553 HydrophobicContact CE1-CD2 3.87Å; F160-Y553 HydrophobicContact CE1-CE2 4.26Å; F160-Y553 AromaticContact CE1-CG 3.93Å; F160-Y553 HydrophobicContact CE1-CG 3.93Å; F160-Y553 HydrophobicContact CE2-CD2 4.2Å; F160-Y553 AromaticContact CE2-CG 3.87Å; F160-Y553 HydrophobicContact CE2-CG 3.87Å; F160-Y553 AromaticContact CG-CD2 3.7Å; F160-Y553 HydrophobicContact CG-CD2 3.7Å; F160-Y553 HydrophobicContact CG-CE2 4.42Å; F160-Y553 HydrophobicContact CG-CG 4.23Å; F160-Y553 HydrophobicContact CZ-CD1 4.24Å; F160-Y553 HydrophobicContact CZ-CD2 4.15Å; F160-Y553 AromaticContact CZ-CG 3.79Å; F160-Y553 HydrophobicContact CZ-CG 3.79Å; F160-R556 PolarHBondContact O-NH1 3.38Å
161	S	92.3	Very high	94.3	Very high	24 Å²	24	28.9 Å²	28.9	17%	0.168	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.8	-35.4	-167.3	-51.7	0	0	0	0	112.3	K157 L158 L159	K157-S161 PolarHBondContact O-OG 3.38Å; L158-S161 PolarHBondContact O-N 2.87Å; L159-S161 VanDerWaalsContact C-N 3.28Å; L159-S161 PolarHBondContact O-N 2.89Å
162	L	94	Very high	94.5	Very high	7 Å²	7	26.4 Å²	26.4	4%	0.037	12%	0.119	C	C	.	.			trans	-79	130.9	-175.7	-59.5	173.5	0	0	0	111.7	L158 I167 Y224 L225 A228 F253 F521 I530	L158-L162 HydrophobicContact CB-CD1 3.91Å; L158-L162 HydrophobicContact CB-CG 4.42Å; L158-L162 HydrophobicContact CD2-CD1 4.27Å; L158-L162 HydrophobicContact CD2-CG 4.49Å; L158-L162 WeakPolarHBondContact O-CB 3.46Å; L158-L162 VanDerWaalsContact O-CG 3.27Å; L158-L162 WeakPolarHBondContact O-CG 3.27Å; L158-L162 PolarHBondContact O-N 3.34Å; L162-I167 HydrophobicContact CB-CG2 4.03Å; L162-I167 HydrophobicContact CD1-CG2 4.21Å; L162-Y224 HydrophobicContact CB-CE1 4.19Å; L162-Y224 HydrophobicContact CD2-CE1 3.7Å; L162-L225 HydrophobicContact CD1-CD2 3.52Å; L162-L225 HydrophobicContact CD2-CD2 3.94Å; L162-L225 HydrophobicContact CG-CD2 4.39Å; L162-A228 HydrophobicContact CD2-CB 4.47Å; L162-F253 HydrophobicContact CD1-CD1 4.5Å; L162-F253 HydrophobicContact CD1-CE1 4.21Å; L162-F253 HydrophobicContact CD1-CE2 4.36Å; L162-F253 HydrophobicContact CD1-CZ 4.16Å; L162-F521 HydrophobicContact CD2-CD2 4.48Å; L162-F521 HydrophobicContact CD2-CE2 4.37Å; L162-I530 HydrophobicContact CD2-CD1 3.61Å; L162-I530 HydrophobicContact CG-CD1 4.34Å
163	R	92.1	Very high	94.6	Very high	165 Å²	165	26.3 Å²	26.3	62%	0.623	12%	0.118	S	C	*	.			trans	-142.3	100.6	174.3	-65.8	-169.6	-178.8	111.5	-3.6	110	Y224	R163-Y224 PolarHBondContact N-OH 3.25Å; R163-Y224 PolarHBondContact O-OH 2.96Å
164	H	93.7	Very high	94.3	Very high	28 Å²	28	25.4 Å²	25.4	13%	0.13	12%	0.115	C	C	.	.			trans	-152.9	152.3	179.6	179.6	-103.7	0	0	0	110.6	N166 I167 Y224	H164-N166 PolarHBondContact CE1-OD1 3.17Å; H164-N166 PolarHBondContact ND1-N 2.93Å; H164-N166 VanDerWaalsContact ND1-N 3.13Å; H164-N166 PolarHBondContact O-N 2.86Å; H164-I167 HydrophobicContact CB-CB 4.16Å; H164-I167 HydrophobicContact CB-CG1 3.82Å; H164-I167 PolarHBondContact O-N 2.89Å; H164-I167 VanDerWaalsContact O-N 3.14Å; H164-I167 VanDerWaalsContact O-O 3.07Å; H164-Y224 HydrophobicContact CB-CD1 3.68Å; H164-Y224 HydrophobicContact CB-CD2 4.05Å; H164-Y224 HydrophobicContact CB-CE1 3.8Å; H164-Y224 HydrophobicContact CB-CE2 4.15Å; H164-Y224 HydrophobicContact CB-CG 3.81Å; H164-Y224 AromaticContact CG-CG 3.86Å
165	S	93.3	Very high	93.9	Very high	44 Å²	44	27.9 Å²	27.9	31%	0.308	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-32.5	-175.9	57.6	0	0	0	0	113.1	R220 K249	S165-R220 PolarHBondContact OG-NH1 2.87Å; S165-K249 WeakPolarHBondContact O-CE 3.34Å; S165-K249 WeakPolarHBondContact O-CG 3.32Å; S165-K249 PolarHBondContact O-NZ 3.14Å
166	N	96.9	Very high	93.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	18.4	179.5	-56	107.5	0	0	0	114	H164 Q217 R220 L248 K249 I250	H164-N166 PolarHBondContact CE1-OD1 3.17Å; H164-N166 PolarHBondContact ND1-N 2.93Å; H164-N166 VanDerWaalsContact ND1-N 3.13Å; H164-N166 PolarHBondContact O-N 2.86Å; N166-Q217 WeakPolarHBondContact CB-O 3.34Å; N166-Q217 WeakPolarHBondContact ND2-CB 3.5Å; N166-Q217 WeakPolarHBondContact ND2-CG 3.24Å; N166-Q217 PolarHBondContact ND2-OE1 3.17Å; N166-R220 PolarHBondContact OD1-NH1 3.45Å; N166-L248 VanDerWaalsContact CA-O 3.32Å; N166-L248 WeakPolarHBondContact CA-O 3.17Å; N166-L248 WeakPolarHBondContact CB-O 3.32Å; N166-L248 PolarHBondContact ND2-O 2.89Å; N166-K249 WeakPolarHBondContact O-CA 3.39Å; N166-I250 PolarHBondContact O-N 3.15Å
167	I	97.1	Very high	92.2	Very high	2 Å²	2	34 Å²	34	1%	0.01	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-119.3	139.1	170.5	-59.7	-59.8	0	0	0	107.8	L162 H164 R169 Y224 L225 I250 F253	L162-I167 HydrophobicContact CB-CG2 4.03Å; L162-I167 HydrophobicContact CD1-CG2 4.21Å; H164-I167 HydrophobicContact CB-CB 4.16Å; H164-I167 HydrophobicContact CB-CG1 3.82Å; H164-I167 PolarHBondContact O-N 2.89Å; H164-I167 VanDerWaalsContact O-N 3.14Å; H164-I167 VanDerWaalsContact O-O 3.07Å; I167-R169 PolarHBondContact O-N 3.33Å; I167-Y224 HydrophobicContact CG1-CD1 4.03Å; I167-Y224 HydrophobicContact CG1-CE1 4.42Å; I167-L225 HydrophobicContact CD1-CD1 3.62Å; I167-L225 HydrophobicContact CD1-CD2 4.17Å; I167-L225 HydrophobicContact CD1-CG 3.74Å; I167-I250 HydrophobicContact CD1-CB 3.93Å; I167-I250 HydrophobicContact CD1-CD1 4.11Å; I167-I250 HydrophobicContact CD1-CG1 4.36Å; I167-F253 HydrophobicContact CG2-CE2 4.28Å; I167-F253 HydrophobicContact CG2-CZ 3.8Å
168	V	96.5	Very high	91.3	Very high	9 Å²	9	33.3 Å²	33.3	6%	0.055	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-60.1	129.6	177	68.4	0	0	0	0	110.5	L159 C189 E190 L241 I250 C251 F253	L159-V168 HydrophobicContact CD2-CG1 3.88Å; V168-C189 HydrophobicContact CG2-CB 3.92Å; V168-E190 HydrophobicContact CG2-CG 4.22Å; V168-L241 HydrophobicContact CG2-CD1 4.31Å; V168-I250 PolarHBondContact N-O 2.93Å; V168-C251 HydrophobicContact CB-CB 4.02Å; V168-C251 HydrophobicContact CG1-CB 3.61Å; V168-F253 HydrophobicContact CG1-CE2 4.08Å
169	R	95.5	Very high	90.4	Very high	131 Å²	131	34.8 Å²	34.8	49%	0.494	18%	0.179	S	C	.	.	P	Polyproline II helix	trans	-89.1	124.7	-179.2	-174.8	172.3	61.1	93.6	-0.8	110.4	I167 I171 C189 E190	I167-R169 PolarHBondContact O-N 3.33Å; R169-I171 PolarHBondContact O-N 3.32Å; R169-C189 WeakPolarHBondContact O-CA 3.08Å; R169-E190 WeakPolarHBondContact CA-OE1 3.48Å; R169-E190 HydrophobicContact CB-CG 4.21Å; R169-E190 WeakPolarHBondContact CB-OE1 3.35Å; R169-E190 PolarHBondContact N-OE1 3.09Å; R169-E190 PolarHBondContact O-N 3.25Å
170	L	95.8	Very high	89.3	Confident	20 Å²	20	38.5 Å²	38.5	11%	0.105	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	125.5	162.6	178.3	68.8	0	0	0	110.3	L159 F160 D172 V173 V187 L188 Y553	L159-L170 HydrophobicContact CB-CB 4.23Å; L159-L170 HydrophobicContact CB-CD2 4.34Å; L159-L170 WeakPolarHBondContact O-CB 3.02Å; F160-L170 HydrophobicContact CD1-CD2 3.27Å; F160-L170 HydrophobicContact CE1-CD2 3.53Å; L170-D172 WeakPolarHBondContact CD1-O 3.46Å; L170-V173 HydrophobicContact CD1-CG2 4.44Å; L170-V173 HydrophobicContact CD2-CG2 4.43Å; L170-V187 HydrophobicContact CD1-CG1 3.15Å; L170-L188 WeakPolarHBondContact CD1-O 3.5Å; L170-Y553 HydrophobicContact CD2-CE2 3.81Å
171	I	94.2	Very high	88.2	Confident	21 Å²	21	44.6 Å²	44.6	11%	0.108	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-56.1	169.5	-63.1	178.3	0	0	0	109.4	V134 R169 L188 C189 E190 R560	V134-I171 HydrophobicContact CB-CD1 3.98Å; V134-I171 HydrophobicContact CG1-CD1 3.34Å; R169-I171 PolarHBondContact O-N 3.32Å; I171-L188 WeakPolarHBondContact CA-O 3.22Å; I171-L188 HydrophobicContact CB-CB 4.24Å; I171-L188 WeakPolarHBondContact CB-O 3.12Å; I171-L188 PolarHBondContact N-O 2.65Å; I171-C189 WeakPolarHBondContact CD1-O 3.33Å; I171-E190 HydrophobicContact CD1-CB 4.49Å; I171-R560 VanDerWaalsContact O-CZ 3.3Å; I171-R560 PolarHBondContact O-NH1 3.03Å; I171-R560 PolarHBondContact O-NH2 3.04Å
172	D	94.2	Very high	87.8	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162	166.6	178.9	-152.6	-4.3	0	0	0	112.3	R129 L170 L188 Y553 R562	R129-D172 IonicContact CZ-OD2 2.75Å; R129-D172 IonicContact NH1-OD2 2.78Å; R129-D172 PolarHBondContact NH1-OD2 3Å; R129-D172 IonicContact NH2-OD2 3.8Å; L170-D172 WeakPolarHBondContact CD1-O 3.46Å; D172-L188 HydrophobicContact CB-CD1 4.42Å; D172-L188 PolarHBondContact N-O 3.4Å; D172-L188 VanDerWaalsContact N-O 3.15Å; D172-L188 WeakPolarHBondContact O-CB 3.36Å; D172-L188 PolarHBondContact O-N 3.45Å; D172-Y553 WeakPolarHBondContact OD1-CE1 3.33Å; D172-Y553 PolarHBondContact OD1-OH 3.2Å; D172-R562 IonicContact OD1-CZ 3.9Å; D172-R562 IonicContact OD1-NH1 2.75Å; D172-R562 PolarHBondContact OD1-NH1 3.17Å; D172-R562 IonicContact OD2-NH1 3.75Å
173	V	92.9	Very high	87.3	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.006	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	131.1	167	-177.6	0	0	0	0	108.5	F160 L170 K175 V185 I550 Y553 F554	F160-V173 HydrophobicContact CE1-CG2 3.41Å; F160-V173 VanDerWaalsContact CE1-CG2 3.41Å; F160-V173 HydrophobicContact CZ-CG2 3.66Å; L170-V173 HydrophobicContact CD1-CG2 4.44Å; L170-V173 HydrophobicContact CD2-CG2 4.43Å; V173-K175 PolarHBondContact O-N 3.01Å; V173-V185 HydrophobicContact CG1-CG1 3.94Å; V173-I550 HydrophobicContact CG1-CG2 4.45Å; V173-Y553 HydrophobicContact CB-CD1 4.44Å; V173-Y553 HydrophobicContact CB-CE1 4.27Å; V173-Y553 HydrophobicContact CG2-CD1 4.16Å; V173-Y553 HydrophobicContact CG2-CE1 4.03Å; V173-F554 HydrophobicContact CB-CE1 4.2Å; V173-F554 HydrophobicContact CB-CZ 4.36Å; V173-F554 HydrophobicContact CG1-CZ 4.49Å
174	V	89.4	Confident	87.1	Confident	3 Å²	3	40.7 Å²	40.7	2%	0.018	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-67.4	126.9	178.4	-175.3	0	0	0	0	108.8	L136 V176 S186 L188 I565	L136-V174 HydrophobicContact CD1-CG2 3.89Å; V174-V176 PolarHBondContact O-N 3.01Å; V174-S186 PolarHBondContact N-O 3.37Å; V174-L188 HydrophobicContact CG2-CD1 4.31Å; V174-L188 HydrophobicContact CG2-CG 4.04Å; V174-I565 HydrophobicContact CG1-CD1 4.48Å; V174-I565 HydrophobicContact CG1-CG1 3.73Å
175	K	84.9	Confident	86.9	Confident	53 Å²	53	39.4 Å²	39.4	23%	0.23	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-69.4	131.7	-173.8	176.7	169.7	-177.9	160.8	0	110.4	V173 F554 R562 V563 V564	V173-K175 PolarHBondContact O-N 3.01Å; K175-F554 HydrophobicContact CB-CZ 4.31Å; K175-R562 HydrophobicContact CB-CB 4.34Å; K175-V563 PolarHBondContact N-O 3.43Å; K175-V564 HydrophobicContact CB-CG1 4.08Å
176	V	79.5	Confident	86.7	Confident	47 Å²	47	37.6 Å²	37.6	29%	0.285	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-103	138.8	172.7	-166.3	0	0	0	0	110	V174 S178 F182	V174-V176 PolarHBondContact O-N 3.01Å; V176-S178 PolarHBondContact O-N 3.04Å; V176-F182 HydrophobicContact CB-CB 4.21Å; V176-F182 HydrophobicContact CG1-CB 3.49Å; V176-F182 VanDerWaalsContact CG1-CB 3.49Å; V176-F182 HydrophobicContact CG2-CB 4.34Å
177	S	73.9	Confident	86.6	Confident	91 Å²	91	37.6 Å²	37.6	64%	0.636	21%	0.212	S	C	*	.	S	Bend	trans	-70.5	-29.3	-170	-49.7	0	0	0	0	114.4
178	S	75.9	Confident	86.4	Confident	36 Å²	36	37.5 Å²	37.5	25%	0.252	21%	0.212	S	C	.	.			trans	-150.3	141.1	-176.6	176.9	0	0	0	0	112.5	V176 S180 L181 F182	V176-S178 PolarHBondContact O-N 3.04Å; S178-S180 VanDerWaalsContact C-N 3.31Å; S178-S180 PolarHBondContact O-N 2.84Å; S178-S180 PolarHBondContact OG-N 3.46Å; S178-S180 VanDerWaalsContact OG-N 3.13Å; S178-S180 PolarHBondContact OG-OG 3.39Å; S178-L181 PolarHBondContact O-N 3.44Å; S178-F182 PolarHBondContact O-N 2.99Å
179	S	76.3	Confident	86.3	Confident	30 Å²	30	37.6 Å²	37.6	21%	0.21	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-39.3	169.9	-174.3	0	0	0	0	112	L181 F182 K543	S179-L181 PolarHBondContact O-N 3.49Å; S179-F182 WeakPolarHBondContact O-CD1 3.38Å; S179-K543 WeakPolarHBondContact O-CE 3.32Å; S179-K543 PolarHBondContact O-NZ 3.4Å
180	S	71.8	Confident	86.2	Confident	87 Å²	87	32.8 Å²	32.8	61%	0.608	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-24.4	-175.7	56.1	0	0	0	0	113.2	S178 K543	S178-S180 VanDerWaalsContact C-N 3.31Å; S178-S180 PolarHBondContact O-N 2.84Å; S178-S180 PolarHBondContact OG-N 3.46Å; S178-S180 VanDerWaalsContact OG-N 3.13Å; S178-S180 PolarHBondContact OG-OG 3.39Å; S180-K543 PolarHBondContact O-NZ 3.21Å
181	L	71.4	Confident	85.9	Confident	138 Å²	138	34.5 Å²	34.5	72%	0.723	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.5	-16.1	-168	-64.2	174	0	0	0	114.8	S178 S179 S183	S178-L181 PolarHBondContact O-N 3.44Å; S179-L181 PolarHBondContact O-N 3.49Å; L181-S183 PolarHBondContact O-N 3.44Å
182	F	83.8	Confident	85.7	Confident	6 Å²	6	34.2 Å²	34.2	3%	0.026	20%	0.2	C	C	.	.			trans	-74.9	131.2	-177.2	87.2	-79.6	0	0	0	111.6	F143 V176 S178 S179 V185 K543 L546 W547	F143-F182 AromaticContact CE2-CD2 3.87Å; F143-F182 HydrophobicContact CE2-CD2 3.87Å; F143-F182 HydrophobicContact CE2-CE1 4.43Å; F143-F182 AromaticContact CE2-CE2 3.56Å; F143-F182 HydrophobicContact CE2-CE2 3.56Å; F143-F182 HydrophobicContact CE2-CG 4.44Å; F143-F182 AromaticContact CE2-CZ 3.86Å; F143-F182 HydrophobicContact CE2-CZ 3.86Å; F143-F182 WeakPolarHBondContact CE2-O 3.44Å; F143-F182 HydrophobicContact CZ-CD2 4.23Å; F143-F182 HydrophobicContact CZ-CE1 4.36Å; F143-F182 AromaticContact CZ-CE2 3.44Å; F143-F182 HydrophobicContact CZ-CE2 3.44Å; F143-F182 VanDerWaalsContact CZ-CE2 3.44Å; F143-F182 AromaticContact CZ-CZ 3.52Å; F143-F182 HydrophobicContact CZ-CZ 3.52Å; V176-F182 HydrophobicContact CB-CB 4.21Å; V176-F182 HydrophobicContact CG1-CB 3.49Å; V176-F182 VanDerWaalsContact CG1-CB 3.49Å; V176-F182 HydrophobicContact CG2-CB 4.34Å; S178-F182 PolarHBondContact O-N 2.99Å; S179-F182 WeakPolarHBondContact O-CD1 3.38Å; F182-V185 HydrophobicContact CD2-CG2 4.19Å; F182-V185 HydrophobicContact CE2-CG2 4.14Å; F182-K543 HydrophobicContact CE1-CD 4.5Å; F182-K543 HydrophobicContact CE1-CG 3.81Å; F182-K543 HydrophobicContact CZ-CG 4.05Å; F182-K543 WeakPolarHBondContact O-CE 3.46Å; F182-K543 PolarHBondContact O-NZ 3.03Å; F182-K543 VanDerWaalsContact O-NZ 3.14Å; F182-L546 HydrophobicContact CZ-CB 4.34Å; F182-W547 HydrophobicContact CD1-CE3 4.03Å; F182-W547 HydrophobicContact CD1-CZ3 4.47Å; F182-W547 HydrophobicContact CE1-CB 4.07Å; F182-W547 HydrophobicContact CE1-CD2 4.47Å; F182-W547 AromaticContact CE1-CE3 3.79Å; F182-W547 HydrophobicContact CE1-CE3 3.79Å; F182-W547 HydrophobicContact CZ-CB 4.24Å; F182-W547 HydrophobicContact CZ-CE3 4.46Å
183	S	84.5	Confident	85.2	Confident	62 Å²	62	36.4 Å²	36.4	43%	0.434	21%	0.211	S	C	.	.			trans	-117.9	-7.8	171.3	54.9	0	0	0	0	112.5	N141 I142 L181	N141-S183 PolarHBondContact N-O 3.14Å; I142-S183 PolarHBondContact N-O 2.81Å; L181-S183 PolarHBondContact O-N 3.44Å
184	E	87.2	Confident	85	Confident	46 Å²	46	37.3 Å²	37.3	22%	0.215	22%	0.217	C	C	.	.			trans	-141.1	159.9	-176.6	64.9	175.6	-131.5	0	0	110.7	R138 I139	R138-E184 IonicContact CZ-OE1 2.75Å; R138-E184 IonicContact CZ-OE2 2.73Å; R138-E184 IonicContact NE-OE1 3.67Å; R138-E184 PolarHBondContact NE-OE1 2.78Å; R138-E184 IonicContact NH2-OE1 3.44Å; R138-E184 PolarHBondContact NH2-OE1 3.14Å; R138-E184 IonicContact NH2-OE2 3.31Å; R138-E184 PolarHBondContact NH2-OE2 2.91Å; I139-E184 VanDerWaalsContact O-CA 3.23Å; I139-E184 WeakPolarHBondContact O-CA 3.37Å; I139-E184 VanDerWaalsContact O-CB 3.29Å; I139-E184 WeakPolarHBondContact O-CB 3.41Å
185	V	89.6	Confident	85.1	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	134.8	173.4	175.3	0	0	0	0	108.3	I139 I142 L156 V173 F182 V187 I550	I139-V185 PolarHBondContact N-O 3.35Å; I139-V185 PolarHBondContact O-N 2.96Å; I139-V185 VanDerWaalsContact O-N 3.1Å; I142-V185 HydrophobicContact CD1-CB 3.66Å; I142-V185 HydrophobicContact CD1-CG2 3.41Å; I142-V185 VanDerWaalsContact CD1-CG2 3.41Å; I142-V185 VanDerWaalsContact CD1-N 3.33Å; L156-V185 HydrophobicContact CD1-CG1 4.05Å; L156-V185 HydrophobicContact CD1-CG2 4.38Å; L156-V185 HydrophobicContact CD2-CG1 3.99Å; V173-V185 HydrophobicContact CG1-CG1 3.94Å; F182-V185 HydrophobicContact CD2-CG2 4.19Å; F182-V185 HydrophobicContact CE2-CG2 4.14Å; V185-V187 HydrophobicContact CG1-CG2 4.02Å; V185-I550 HydrophobicContact CG1-CD1 4.35Å; V185-I550 HydrophobicContact CG2-CD1 3.75Å
186	S	90.1	Very high	85.4	Confident	5 Å²	5	35.6 Å²	35.6	4%	0.035	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	128.5	178.4	-75.2	0	0	0	0	109.7	K137 V174	K137-S186 WeakPolarHBondContact O-CA 2.97Å; V174-S186 PolarHBondContact N-O 3.37Å
187	V	92.9	Very high	86	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.006	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	129.2	-170.4	-173.4	0	0	0	0	109.3	L136 K137 I139 L156 L159 L170 V185	L136-V187 WeakPolarHBondContact CA-O 3.43Å; K137-V187 PolarHBondContact N-O 2.92Å; K137-V187 PolarHBondContact O-N 3.27Å; I139-V187 HydrophobicContact CD1-CG2 4.48Å; L156-V187 HydrophobicContact CD2-CG2 3.68Å; L159-V187 HydrophobicContact CD1-CG1 4.07Å; L170-V187 HydrophobicContact CD1-CG1 3.15Å; V185-V187 HydrophobicContact CG1-CG2 4.02Å
188	L	92.9	Very high	86.7	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	118.4	174.1	-65	173.2	0	0	0	109.4	L75 V125 V134 A135 L136 L170 I171 D172 V174 V563	L75-L188 HydrophobicContact CD1-CD1 4.36Å; L75-L188 HydrophobicContact CD1-CD2 3.77Å; V125-L188 HydrophobicContact CG2-CD2 4.16Å; V134-L188 HydrophobicContact CG2-CD2 3.89Å; A135-L188 CarbonylContact O-C 3.56Å; A135-L188 WeakPolarHBondContact O-CA 2.96Å; L136-L188 HydrophobicContact CB-CD2 3.91Å; L136-L188 HydrophobicContact CD1-CD2 3.74Å; L136-L188 HydrophobicContact CD1-CG 4.43Å; L136-L188 HydrophobicContact CG-CD2 4.34Å; L170-L188 WeakPolarHBondContact CD1-O 3.5Å; I171-L188 WeakPolarHBondContact CA-O 3.22Å; I171-L188 HydrophobicContact CB-CB 4.24Å; I171-L188 WeakPolarHBondContact CB-O 3.12Å; I171-L188 PolarHBondContact N-O 2.65Å; D172-L188 HydrophobicContact CB-CD1 4.42Å; D172-L188 PolarHBondContact N-O 3.4Å; D172-L188 VanDerWaalsContact N-O 3.15Å; D172-L188 WeakPolarHBondContact O-CB 3.36Å; D172-L188 PolarHBondContact O-N 3.45Å; V174-L188 HydrophobicContact CG2-CD1 4.31Å; V174-L188 HydrophobicContact CG2-CG 4.04Å; L188-V563 HydrophobicContact CD1-CB 4.08Å; L188-V563 HydrophobicContact CD1-CG1 4.26Å; L188-V563 HydrophobicContact CD1-CG2 3.97Å
189	C	95.1	Very high	87.2	Confident	11 Å²	11	35.9 Å²	35.9	7%	0.074	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	164	175.2	-68.2	0	0	0	0	110.5	A135 V168 R169 I171	A135-C189 PolarHBondContact N-O 3.01Å; A135-C189 PolarHBondContact O-N 3.02Å; V168-C189 HydrophobicContact CG2-CB 3.92Å; R169-C189 WeakPolarHBondContact O-CA 3.08Å; I171-C189 WeakPolarHBondContact CD1-O 3.33Å
190	E	93.5	Very high	87.8	Confident	30 Å²	30	34.5 Å²	34.5	14%	0.14	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	140.6	167.5	68.3	-171.1	136.3	0	0	111.2	V168 R169 I171 K249	V168-E190 HydrophobicContact CG2-CG 4.22Å; R169-E190 WeakPolarHBondContact CA-OE1 3.48Å; R169-E190 HydrophobicContact CB-CG 4.21Å; R169-E190 WeakPolarHBondContact CB-OE1 3.35Å; R169-E190 PolarHBondContact N-OE1 3.09Å; R169-E190 PolarHBondContact O-N 3.25Å; I171-E190 HydrophobicContact CD1-CB 4.49Å; E190-K249 VanDerWaalsContact CD-NZ 3.27Å; E190-K249 HydrophobicContact CG-CD 4.26Å; E190-K249 WeakPolarHBondContact OE1-CD 3.16Å; E190-K249 WeakPolarHBondContact OE1-CE 3.03Å; E190-K249 IonicContact OE1-NZ 3.78Å; E190-K249 PolarHBondContact OE1-NZ 3.13Å; E190-K249 WeakPolarHBondContact OE2-CE 3.32Å; E190-K249 IonicContact OE2-NZ 3.71Å; E190-K249 PolarHBondContact OE2-NZ 3.24Å
191	Y	90.2	Very high	88.6	Confident	56 Å²	56	35 Å²	35	22%	0.22	18%	0.182	C	C	.	.			trans	-77.6	138.4	176.6	171.9	-117.6	0	0	0	110.7	L114 L124 D193	L114-Y191 HydrophobicContact CD1-CD2 3.67Å; L114-Y191 HydrophobicContact CD1-CE2 3.58Å; L114-Y191 HydrophobicContact CD2-CE2 3.68Å; L114-Y191 HydrophobicContact CG-CE2 4.29Å; L124-Y191 HydrophobicContact CD1-CD1 4.08Å; L124-Y191 HydrophobicContact CD1-CD2 3.59Å; L124-Y191 HydrophobicContact CD1-CE1 4.33Å; L124-Y191 HydrophobicContact CD1-CE2 3.9Å; L124-Y191 HydrophobicContact CD1-CG 3.69Å; Y191-D193 VanDerWaalsContact CE1-OD1 3.27Å; Y191-D193 WeakPolarHBondContact CE1-OD1 3.38Å
192	M	90.3	Very high	89.3	Confident	15 Å²	15	30 Å²	30	7%	0.074	16%	0.159	C	C	.	.			trans	-128.8	139.3	172.7	-62.6	-64.7	-75.7	0	0	108.1	T194 L241 N243 L247 K249	M192-T194 PolarHBondContact O-N 2.91Å; M192-L241 HydrophobicContact CB-CB 3.63Å; M192-L241 HydrophobicContact CB-CD1 4.24Å; M192-L241 HydrophobicContact CB-CG 4.46Å; M192-L241 HydrophobicContact CE-CB 4.46Å; M192-L241 HydrophobicContact CG-CB 3.7Å; M192-L241 HydrophobicContact CG-CD1 4.07Å; M192-N243 HydrophobicContact CE-CB 4.02Å; M192-N243 HydrophobicContact SD-CB 4.28Å; M192-L247 WeakPolarHBondContact CE-O 3.42Å; M192-K249 HydrophobicContact CE-CB 4.26Å; M192-K249 HydrophobicContact CE-CD 3.92Å; M192-K249 HydrophobicContact CE-CG 4.05Å; M192-K249 HydrophobicContact CG-CD 4.37Å; M192-K249 HydrophobicContact SD-CD 3.72Å; M192-K249 HydrophobicContact SD-CG 4.49Å
193	D	83.7	Confident	89.1	Confident	45 Å²	45	36.7 Å²	36.7	24%	0.241	20%	0.2	C	C	.	.	S	Bend	trans	-66.4	-36.7	-166.2	-60.8	-42.1	0	0	0	113.3	Y191 V242 N243 S244 I491	Y191-D193 VanDerWaalsContact CE1-OD1 3.27Å; Y191-D193 WeakPolarHBondContact CE1-OD1 3.38Å; D193-V242 PolarHBondContact N-O 3.39Å; D193-N243 WeakPolarHBondContact OD2-CA 3.5Å; D193-S244 WeakPolarHBondContact OD2-CB 3.25Å; D193-S244 PolarHBondContact OD2-N 3.19Å; D193-S244 PolarHBondContact OD2-OG 3.05Å; D193-I491 HydrophobicContact CB-CD1 3.67Å; D193-I491 HydrophobicContact CB-CG1 4.38Å; D193-I491 HydrophobicContact CB-CG2 4.38Å
194	T	88.2	Confident	88.7	Confident	20 Å²	20	35.7 Å²	35.7	12%	0.123	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	-176.6	-177.6	-169.9	0	0	0	0	111.5	M192 K198 I199 L241 V242	M192-T194 PolarHBondContact O-N 2.91Å; T194-K198 WeakPolarHBondContact OG1-CB 3.38Å; T194-K198 WeakPolarHBondContact OG1-CD 3.27Å; T194-I199 HydrophobicContact CG2-CD1 3.73Å; T194-I199 HydrophobicContact CG2-CG1 3.77Å; T194-L241 CarbonylContact O-C 3.52Å; T194-L241 WeakPolarHBondContact O-CA 3.44Å; T194-V242 HydrophobicContact CG2-CB 4.19Å; T194-V242 PolarHBondContact N-O 2.71Å; T194-V242 PolarHBondContact O-N 2.92Å
195	D	90.3	Very high	88.2	Confident	21 Å²	21	40 Å²	40	11%	0.112	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	163.3	165.8	56.5	74.6	0	0	0	110.5	H197 K198 I199 L240 L241	D195-H197 VanDerWaalsContact C-N 3.29Å; D195-H197 PolarHBondContact O-N 3.32Å; D195-H197 WeakPolarHBondContact OD1-CB 3.36Å; D195-H197 PolarHBondContact OD1-N 3.05Å; D195-K198 PolarHBondContact O-N 3.01Å; D195-K198 WeakPolarHBondContact OD1-CG 3.04Å; D195-K198 PolarHBondContact OD1-N 3.24Å; D195-K198 VanDerWaalsContact OD2-CD 3.3Å; D195-K198 WeakPolarHBondContact OD2-CD 3.49Å; D195-K198 VanDerWaalsContact OD2-CE 3.26Å; D195-K198 WeakPolarHBondContact OD2-CE 3.36Å; D195-K198 IonicContact OD2-NZ 3.38Å; D195-K198 PolarHBondContact OD2-NZ 2.9Å; D195-I199 PolarHBondContact O-N 3.48Å; D195-L240 CarbonylContact C-O 3.49Å; D195-L240 WeakPolarHBondContact CA-O 3.35Å; D195-L241 HydrophobicContact CB-CD2 4.33Å
196	L	92.7	Very high	87.8	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-68.2	-28.4	-176.8	-165.6	66.2	0	0	0	112.3	I199 I200 F214 I218 P237 L240 V242 L248 I304 L308	L196-I199 HydrophobicContact CD1-CD1 4.27Å; L196-I199 PolarHBondContact O-N 3.44Å; L196-I200 HydrophobicContact CG-CD1 4.08Å; L196-I200 HydrophobicContact CG-CG1 4.48Å; L196-I200 WeakPolarHBondContact O-CD1 3.49Å; L196-I200 VanDerWaalsContact O-CG1 3.27Å; L196-I200 WeakPolarHBondContact O-CG1 3.38Å; L196-I200 PolarHBondContact O-N 3.35Å; L196-F214 HydrophobicContact CD1-CD1 4.49Å; L196-F214 HydrophobicContact CD1-CD2 3.81Å; L196-F214 HydrophobicContact CD1-CE2 3.97Å; L196-F214 HydrophobicContact CD1-CG 4.1Å; L196-F214 HydrophobicContact CD1-CZ 4.4Å; L196-I218 HydrophobicContact CD2-CD1 4.47Å; L196-P237 HydrophobicContact CB-CB 4.1Å; L196-P237 WeakPolarHBondContact CB-O 3.4Å; L196-P237 HydrophobicContact CG-CB 4.45Å; L196-P237 PolarHBondContact N-O 3.33Å; L196-P237 VanDerWaalsContact N-O 3.14Å; L196-L240 HydrophobicContact CB-CB 3.89Å; L196-L240 HydrophobicContact CD2-CB 4.3Å; L196-L240 HydrophobicContact CD2-CD1 3.64Å; L196-L240 PolarHBondContact N-O 3.45Å; L196-V242 HydrophobicContact CB-CG2 4.43Å; L196-V242 HydrophobicContact CD1-CG2 4.24Å; L196-L248 HydrophobicContact CD2-CD1 4.45Å; L196-I304 HydrophobicContact CD2-CG2 3.96Å; L196-L308 HydrophobicContact CD1-CD2 3.85Å; L196-L308 HydrophobicContact CD2-CD1 4.24Å; L196-L308 HydrophobicContact CD2-CD2 3.99Å; L196-L308 HydrophobicContact CD2-CG 4.39Å; L196-L308 HydrophobicContact CG-CD2 3.99Å
197	H	92.3	Very high	87.4	Confident	79 Å²	79	40.9 Å²	40.9	37%	0.366	21%	0.21	S	C	.	.	H	α-helix	trans	-60	-50.2	175.5	178.3	67.3	0	0	0	110.8	D195 I199 I200 V201 P237	D195-H197 VanDerWaalsContact C-N 3.29Å; D195-H197 PolarHBondContact O-N 3.32Å; D195-H197 WeakPolarHBondContact OD1-CB 3.36Å; D195-H197 PolarHBondContact OD1-N 3.05Å; H197-I199 VanDerWaalsContact C-N 3.27Å; H197-I199 PolarHBondContact O-N 2.85Å; H197-I200 PolarHBondContact O-N 3.27Å; H197-V201 WeakPolarHBondContact O-CG2 3.4Å; H197-V201 PolarHBondContact O-N 2.73Å; H197-V201 VanDerWaalsContact O-N 3.09Å; H197-P237 HydrophobicContact CB-CB 3.84Å; H197-P237 PolarHBondContact N-O 3.44Å
198	K	88.4	Confident	87.1	Confident	95 Å²	95	43.2 Å²	43.2	41%	0.413	22%	0.222	S	C	.	.	H	α-helix	trans	-57.8	-37.9	175.6	-74.2	175.2	-174	135.3	0	112.6	T194 D195 S202	T194-K198 WeakPolarHBondContact OG1-CB 3.38Å; T194-K198 WeakPolarHBondContact OG1-CD 3.27Å; D195-K198 PolarHBondContact O-N 3.01Å; D195-K198 WeakPolarHBondContact OD1-CG 3.04Å; D195-K198 PolarHBondContact OD1-N 3.24Å; D195-K198 VanDerWaalsContact OD2-CD 3.3Å; D195-K198 WeakPolarHBondContact OD2-CD 3.49Å; D195-K198 VanDerWaalsContact OD2-CE 3.26Å; D195-K198 WeakPolarHBondContact OD2-CE 3.36Å; D195-K198 IonicContact OD2-NZ 3.38Å; D195-K198 PolarHBondContact OD2-NZ 2.9Å; K198-S202 VanDerWaalsContact O-CB 3.29Å; K198-S202 WeakPolarHBondContact O-CB 3.47Å; K198-S202 PolarHBondContact O-N 2.74Å; K198-S202 VanDerWaalsContact O-N 3.09Å
199	I	86.5	Confident	86.8	Confident	5 Å²	5	45.2 Å²	45.2	3%	0.026	23%	0.231	C	C	.	.	H	α-helix	trans	-64.4	-47.7	176.6	-66.4	170.9	0	0	0	110.7	T194 D195 L196 H197 V201 S202 L206 F214 V242 R311 L493	T194-I199 HydrophobicContact CG2-CD1 3.73Å; T194-I199 HydrophobicContact CG2-CG1 3.77Å; D195-I199 PolarHBondContact O-N 3.48Å; L196-I199 HydrophobicContact CD1-CD1 4.27Å; L196-I199 PolarHBondContact O-N 3.44Å; H197-I199 VanDerWaalsContact C-N 3.27Å; H197-I199 PolarHBondContact O-N 2.85Å; I199-V201 PolarHBondContact O-N 2.93Å; I199-S202 PolarHBondContact O-N 2.58Å; I199-S202 PolarHBondContact O-OG 2.74Å; I199-L206 HydrophobicContact CG2-CD1 4.34Å; I199-F214 HydrophobicContact CD1-CZ 4.35Å; I199-V242 HydrophobicContact CD1-CB 3.73Å; I199-V242 HydrophobicContact CD1-CG1 3.67Å; I199-V242 HydrophobicContact CD1-CG2 3.96Å; I199-R311 PolarHBondContact O-NH1 2.64Å; I199-L493 HydrophobicContact CD1-CD1 4.42Å; I199-L493 HydrophobicContact CD1-CD2 4.04Å; I199-L493 HydrophobicContact CG2-CD1 4.04Å
200	I	88	Confident	86.4	Confident	2 Å²	2	45 Å²	45	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-59.8	-44.5	-178.1	-71.3	164.3	0	0	0	111.5	L196 H197 S202 P237 E307 L308 R311	L196-I200 HydrophobicContact CG-CD1 4.08Å; L196-I200 HydrophobicContact CG-CG1 4.48Å; L196-I200 WeakPolarHBondContact O-CD1 3.49Å; L196-I200 VanDerWaalsContact O-CG1 3.27Å; L196-I200 WeakPolarHBondContact O-CG1 3.38Å; L196-I200 PolarHBondContact O-N 3.35Å; H197-I200 PolarHBondContact O-N 3.27Å; I200-S202 VanDerWaalsContact C-N 3.33Å; I200-P237 HydrophobicContact CD1-CB 3.84Å; I200-P237 HydrophobicContact CD1-CG 3.9Å; I200-E307 HydrophobicContact CD1-CG 4.02Å; I200-E307 HydrophobicContact CG2-CG 3.96Å; I200-L308 HydrophobicContact CD1-CD2 3.9Å; I200-L308 HydrophobicContact CD1-CG 4.28Å; I200-L308 HydrophobicContact CG1-CD2 3.78Å; I200-R311 HydrophobicContact CG2-CB 4.32Å; I200-R311 PolarHBondContact O-NH1 2.74Å
201	V	88.5	Confident	86.3	Confident	96 Å²	96	43.6 Å²	43.6	58%	0.582	22%	0.223	S	C	*	.	H	α-helix	trans	-81.3	-11.3	-179.1	-55.1	0	0	0	0	113.6	H197 I199	H197-V201 WeakPolarHBondContact O-CG2 3.4Å; H197-V201 PolarHBondContact O-N 2.73Å; H197-V201 VanDerWaalsContact O-N 3.09Å; I199-V201 PolarHBondContact O-N 2.93Å
202	S	85.7	Confident	86.4	Confident	35 Å²	35	42.3 Å²	42.3	25%	0.245	22%	0.218	C	C	.	.	S	Bend	trans	-73.6	163.8	177.5	77.2	0	0	0	0	112.6	K198 I199 I200 Q204 R311	K198-S202 VanDerWaalsContact O-CB 3.29Å; K198-S202 WeakPolarHBondContact O-CB 3.47Å; K198-S202 PolarHBondContact O-N 2.74Å; K198-S202 VanDerWaalsContact O-N 3.09Å; I199-S202 PolarHBondContact O-N 2.58Å; I199-S202 PolarHBondContact O-OG 2.74Å; I200-S202 VanDerWaalsContact C-N 3.33Å; S202-Q204 PolarHBondContact O-N 3.28Å; S202-Q204 WeakPolarHBondContact OG-CB 3.06Å; S202-Q204 WeakPolarHBondContact OG-CG 3.35Å; S202-Q204 PolarHBondContact OG-N 3.22Å; S202-R311 PolarHBondContact O-NH1 2.82Å
203	T	80.5	Confident	86.5	Confident	145 Å²	145	41.7 Å²	41.7	89%	0.89	22%	0.215	S	C	*	.	S	Bend	trans	-76.4	-3.4	173.1	54.6	0	0	0	0	113.6
204	Q	76.8	Confident	87.1	Confident	41 Å²	41	39.5 Å²	39.5	19%	0.192	20%	0.203	C	C	.	.	S	Bend	trans	-65.2	136.5	-175.8	-62.5	-172.6	-16.4	0	0	111.2	S202 L206 R311 I491	S202-Q204 PolarHBondContact O-N 3.28Å; S202-Q204 WeakPolarHBondContact OG-CB 3.06Å; S202-Q204 WeakPolarHBondContact OG-CG 3.35Å; S202-Q204 PolarHBondContact OG-N 3.22Å; Q204-L206 PolarHBondContact O-N 3.05Å; Q204-R311 PolarHBondContact O-NH2 2.93Å; Q204-I491 VanDerWaalsContact NE2-C 3.26Å; Q204-I491 PolarHBondContact NE2-O 3.41Å; Q204-I491 PolarHBondContact OE1-O 2.85Å
205	Y	76.1	Confident	87.5	Confident	138 Å²	138	38.6 Å²	38.6	54%	0.541	20%	0.198	S	C	.	.			trans	-68.3	120.7	177.7	178.9	-98.9	0	0	0	111.4	N374	Y205-N374 HydrophobicContact CD2-CB 3.6Å; Y205-N374 VanDerWaalsContact CD2-ND2 3.26Å; Y205-N374 WeakPolarHBondContact CD2-ND2 3.48Å; Y205-N374 HydrophobicContact CE2-CB 3.37Å
206	L	80.5	Confident	87.9	Confident	11 Å²	11	37.6 Å²	37.6	6%	0.058	19%	0.192	C	C	.	.			trans	-106.4	102.8	174.5	-169.7	74.4	0	0	0	108.5	I199 Q204 H210 V211 F214 L308 R311 N374 L493	I199-L206 HydrophobicContact CG2-CD1 4.34Å; Q204-L206 PolarHBondContact O-N 3.05Å; L206-H210 HydrophobicContact CD1-CB 3.32Å; L206-H210 HydrophobicContact CG-CB 4.01Å; L206-V211 HydrophobicContact CD2-CG2 3.95Å; L206-V211 HydrophobicContact CG-CG2 4.16Å; L206-F214 HydrophobicContact CD1-CD2 4.24Å; L206-F214 HydrophobicContact CD1-CE2 3.75Å; L206-L308 HydrophobicContact CD2-CB 4.34Å; L206-L308 HydrophobicContact CD2-CD2 3.69Å; L206-L308 WeakPolarHBondContact CD2-O 3.47Å; L206-R311 VanDerWaalsContact N-NH2 3.16Å; L206-N374 PolarHBondContact N-ND2 2.67Å; L206-L493 HydrophobicContact CD1-CD1 4.41Å
207	S	83.2	Confident	88.1	Confident	13 Å²	13	37.6 Å²	37.6	9%	0.091	19%	0.192	C	C	.	.			trans	-71.1	159.3	173.9	76.5	0	0	0	0	111.6	E209 H210 V211	S207-E209 PolarHBondContact O-N 3.06Å; S207-E209 VanDerWaalsContact O-N 3.13Å; S207-E209 PolarHBondContact OG-N 2.87Å; S207-H210 PolarHBondContact N-ND1 3.11Å; S207-H210 WeakPolarHBondContact O-CB 3.47Å; S207-H210 PolarHBondContact O-N 3Å; S207-H210 PolarHBondContact OG-N 2.77Å; S207-H210 PolarHBondContact OG-ND1 3.27Å; S207-V211 PolarHBondContact O-N 3.08Å
208	L	86.6	Confident	88.4	Confident	50 Å²	50	33.8 Å²	33.8	26%	0.262	18%	0.175	S	C	.	.	H	α-helix	trans	-56	-30	173	-171.3	62.4	0	0	0	112.5	V211 K212 L309 P372 F416	L208-V211 WeakPolarHBondContact O-CB 3.46Å; L208-V211 PolarHBondContact O-N 3.49Å; L208-K212 WeakPolarHBondContact O-CG 3.45Å; L208-K212 PolarHBondContact O-N 3.3Å; L208-L309 HydrophobicContact CD1-CD2 3.74Å; L208-P372 HydrophobicContact CD1-CG 4.26Å; L208-F416 HydrophobicContact CD1-CE2 4.13Å; L208-F416 HydrophobicContact CD1-CZ 3.75Å; L208-F416 HydrophobicContact CD2-CE2 4.34Å; L208-F416 HydrophobicContact CG-CE2 4.39Å; L208-F416 HydrophobicContact CG-CZ 4.28Å
209	E	84.6	Confident	88.9	Confident	42 Å²	42	29.3 Å²	29.3	20%	0.196	16%	0.155	C	C	.	.	H	α-helix	trans	-70.5	-33.1	177.5	-63.8	-62.1	119	0	0	112.6	S207 K212 L213 R423	S207-E209 PolarHBondContact O-N 3.06Å; S207-E209 VanDerWaalsContact O-N 3.13Å; S207-E209 PolarHBondContact OG-N 2.87Å; E209-K212 WeakPolarHBondContact OE1-CD 3.1Å; E209-K212 IonicContact OE1-NZ 3.6Å; E209-K212 PolarHBondContact OE1-NZ 3.09Å; E209-L213 WeakPolarHBondContact O-CB 3.29Å; E209-L213 PolarHBondContact O-N 3.44Å; E209-L213 VanDerWaalsContact O-N 3.08Å; E209-R423 IonicContact OE2-CZ 3.89Å; E209-R423 IonicContact OE2-NE 2.89Å; E209-R423 PolarHBondContact OE2-NE 3.48Å; E209-R423 IonicContact OE2-NH2 3.52Å; E209-R423 PolarHBondContact OE2-NH2 3.25Å
210	H	87.4	Confident	89.4	Confident	5 Å²	5	29.8 Å²	29.8	2%	0.023	16%	0.157	C	C	.	.	H	α-helix	trans	-65.5	-42.4	168.9	-63.3	99.3	0	0	0	110.9	L206 S207 K212 L213 F214 I495	L206-H210 HydrophobicContact CD1-CB 3.32Å; L206-H210 HydrophobicContact CG-CB 4.01Å; S207-H210 PolarHBondContact N-ND1 3.11Å; S207-H210 WeakPolarHBondContact O-CB 3.47Å; S207-H210 PolarHBondContact O-N 3Å; S207-H210 PolarHBondContact OG-N 2.77Å; S207-H210 PolarHBondContact OG-ND1 3.27Å; H210-K212 PolarHBondContact O-N 3.03Å; H210-L213 PolarHBondContact O-N 3.18Å; H210-F214 HydrophobicContact CB-CD2 4.37Å; H210-F214 HydrophobicContact CB-CE2 4.15Å; H210-F214 VanDerWaalsContact O-CD2 3.27Å; H210-F214 WeakPolarHBondContact O-CD2 3.43Å; H210-F214 WeakPolarHBondContact O-CG 3.38Å; H210-F214 PolarHBondContact O-N 3.15Å; H210-I495 WeakPolarHBondContact CD2-CD1 3.44Å
211	V	91.6	Very high	89.9	Confident	2 Å²	2	29.7 Å²	29.7	1%	0.012	16%	0.156	C	C	.	.	H	α-helix	trans	-58.5	-50.6	178.4	-179.8	0	0	0	0	110.4	L206 S207 L208 L213 F214 V215 L305 L308 L309	L206-V211 HydrophobicContact CD2-CG2 3.95Å; L206-V211 HydrophobicContact CG-CG2 4.16Å; S207-V211 PolarHBondContact O-N 3.08Å; L208-V211 WeakPolarHBondContact O-CB 3.46Å; L208-V211 PolarHBondContact O-N 3.49Å; V211-L213 VanDerWaalsContact C-N 3.29Å; V211-L213 PolarHBondContact O-N 3.44Å; V211-F214 PolarHBondContact O-N 2.8Å; V211-V215 HydrophobicContact CG1-CG2 4.25Å; V211-V215 WeakPolarHBondContact O-CB 3.25Å; V211-V215 VanDerWaalsContact O-CG2 3.3Å; V211-V215 WeakPolarHBondContact O-CG2 3.36Å; V211-V215 PolarHBondContact O-N 2.84Å; V211-L305 HydrophobicContact CG1-CD1 3.78Å; V211-L308 HydrophobicContact CG1-CB 4.05Å; V211-L308 HydrophobicContact CG1-CD1 4.34Å; V211-L308 HydrophobicContact CG2-CB 4.15Å; V211-L309 HydrophobicContact CG1-CD2 4.15Å; V211-L309 HydrophobicContact CG1-CG 4.3Å; V211-L309 HydrophobicContact CG2-CD2 4.3Å
212	K	92.7	Very high	90.3	Very high	29 Å²	29	25.1 Å²	25.1	13%	0.126	13%	0.128	C	C	.	.	H	α-helix	trans	-55.5	-44.2	175.4	-71.5	173.9	-176.8	169.7	0	111.9	L208 E209 H210 Y216 F416	L208-K212 WeakPolarHBondContact O-CG 3.45Å; L208-K212 PolarHBondContact O-N 3.3Å; E209-K212 WeakPolarHBondContact OE1-CD 3.1Å; E209-K212 IonicContact OE1-NZ 3.6Å; E209-K212 PolarHBondContact OE1-NZ 3.09Å; H210-K212 PolarHBondContact O-N 3.03Å; K212-Y216 WeakPolarHBondContact O-CB 3.41Å; K212-Y216 PolarHBondContact O-N 3.22Å; K212-F416 HydrophobicContact CD-CE2 4.48Å; K212-F416 HydrophobicContact CD-CZ 4.38Å; K212-F416 WeakPolarHBondContact CD-O 3.38Å; K212-F416 VanDerWaalsContact CE-CE2 3.49Å; K212-F416 WeakPolarHBondContact CE-O 3.36Å; K212-F416 HydrophobicContact CG-CD1 4.23Å; K212-F416 HydrophobicContact CG-CE1 3.67Å; K212-F416 HydrophobicContact CG-CE2 4.22Å; K212-F416 HydrophobicContact CG-CZ 3.66Å
213	L	91.9	Very high	90.8	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-66.3	-43.4	-179.4	-177.4	62.5	0	0	0	112.6	E209 H210 V211 Q217 C246 R423 F424 L428 I495	E209-L213 WeakPolarHBondContact O-CB 3.29Å; E209-L213 PolarHBondContact O-N 3.44Å; E209-L213 VanDerWaalsContact O-N 3.08Å; H210-L213 PolarHBondContact O-N 3.18Å; V211-L213 VanDerWaalsContact C-N 3.29Å; V211-L213 PolarHBondContact O-N 3.44Å; L213-Q217 WeakPolarHBondContact O-CB 3.24Å; L213-Q217 VanDerWaalsContact O-CG 3.31Å; L213-Q217 WeakPolarHBondContact O-CG 3.31Å; L213-Q217 PolarHBondContact O-N 3.17Å; L213-Q217 VanDerWaalsContact O-N 3.1Å; L213-Q217 PolarHBondContact O-NE2 2.75Å; L213-C246 HydrophobicContact CD2-CB 3.99Å; L213-R423 HydrophobicContact CD1-CB 4.36Å; L213-F424 HydrophobicContact CD1-CB 3.87Å; L213-F424 HydrophobicContact CD1-CD2 4.49Å; L213-L428 HydrophobicContact CD1-CD1 4.19Å; L213-L428 HydrophobicContact CD2-CD1 4.02Å; L213-L428 HydrophobicContact CG-CD1 4.48Å; L213-I495 HydrophobicContact CD2-CD1 3.54Å
214	F	96	Very high	91.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-67.9	-47.5	178.5	-69.5	-43.7	0	0	0	111.7	L196 I199 L206 H210 V211 Y216 Q217 I218 V242 C246 L248 L308 L493	L196-F214 HydrophobicContact CD1-CD1 4.49Å; L196-F214 HydrophobicContact CD1-CD2 3.81Å; L196-F214 HydrophobicContact CD1-CE2 3.97Å; L196-F214 HydrophobicContact CD1-CG 4.1Å; L196-F214 HydrophobicContact CD1-CZ 4.4Å; I199-F214 HydrophobicContact CD1-CZ 4.35Å; L206-F214 HydrophobicContact CD1-CD2 4.24Å; L206-F214 HydrophobicContact CD1-CE2 3.75Å; H210-F214 HydrophobicContact CB-CD2 4.37Å; H210-F214 HydrophobicContact CB-CE2 4.15Å; H210-F214 VanDerWaalsContact O-CD2 3.27Å; H210-F214 WeakPolarHBondContact O-CD2 3.43Å; H210-F214 WeakPolarHBondContact O-CG 3.38Å; H210-F214 PolarHBondContact O-N 3.15Å; V211-F214 PolarHBondContact O-N 2.8Å; F214-Y216 VanDerWaalsContact C-N 3.34Å; F214-Y216 PolarHBondContact O-N 2.92Å; F214-Q217 PolarHBondContact O-N 2.96Å; F214-I218 VanDerWaalsContact O-CG1 3.24Å; F214-I218 WeakPolarHBondContact O-CG1 3.48Å; F214-I218 PolarHBondContact O-N 3.34Å; F214-V242 HydrophobicContact CE1-CG1 3.7Å; F214-V242 HydrophobicContact CE1-CG2 4.09Å; F214-V242 HydrophobicContact CZ-CG1 3.95Å; F214-C246 HydrophobicContact CE1-CB 3.78Å; F214-C246 HydrophobicContact CZ-CB 4.03Å; F214-L248 HydrophobicContact CB-CD1 4.09Å; F214-L248 HydrophobicContact CD1-CB 4.18Å; F214-L248 HydrophobicContact CD1-CD1 3.82Å; F214-L248 HydrophobicContact CG-CD1 4.27Å; F214-L308 HydrophobicContact CB-CD1 4.42Å; F214-L308 HydrophobicContact CD2-CD2 4.5Å; F214-L493 HydrophobicContact CE2-CD1 4.36Å; F214-L493 HydrophobicContact CZ-CD1 4.18Å
215	V	98.2	Very high	92.4	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-62.1	-42.9	179.2	174.6	0	0	0	0	111.1	V211 Q217 I218 L219 V301 L305 L308 L393 L417	V211-V215 HydrophobicContact CG1-CG2 4.25Å; V211-V215 WeakPolarHBondContact O-CB 3.25Å; V211-V215 VanDerWaalsContact O-CG2 3.3Å; V211-V215 WeakPolarHBondContact O-CG2 3.36Å; V211-V215 PolarHBondContact O-N 2.84Å; V215-Q217 PolarHBondContact O-N 3.09Å; V215-I218 PolarHBondContact O-N 3.41Å; V215-L219 HydrophobicContact CG1-CD1 3.91Å; V215-L219 HydrophobicContact CG1-CG 4.48Å; V215-L219 WeakPolarHBondContact O-CG 3.22Å; V215-L219 PolarHBondContact O-N 3.07Å; V215-V301 HydrophobicContact CG1-CG1 4.38Å; V215-L305 HydrophobicContact CG2-CB 4.28Å; V215-L305 HydrophobicContact CG2-CD1 3.87Å; V215-L308 HydrophobicContact CG2-CD1 3.98Å; V215-L393 HydrophobicContact CG1-CD2 4.43Å; V215-L417 HydrophobicContact CB-CD2 4.19Å; V215-L417 HydrophobicContact CG1-CD1 4.36Å; V215-L417 HydrophobicContact CG1-CD2 4Å
216	Y	97.2	Very high	93.3	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-56.3	-50.4	173.2	175.7	-107.8	0	0	0	111.6	K212 F214 I218 L219 R220 L412 R421 F424 H425 E518	K212-Y216 WeakPolarHBondContact O-CB 3.41Å; K212-Y216 PolarHBondContact O-N 3.22Å; F214-Y216 VanDerWaalsContact C-N 3.34Å; F214-Y216 PolarHBondContact O-N 2.92Å; Y216-I218 PolarHBondContact O-N 2.69Å; Y216-L219 PolarHBondContact O-N 2.82Å; Y216-R220 HydrophobicContact CD1-CG 4.4Å; Y216-R220 HydrophobicContact CE1-CG 4.11Å; Y216-R220 HydrophobicContact CE2-CG 4.26Å; Y216-R220 VanDerWaalsContact O-CG 3.32Å; Y216-R220 WeakPolarHBondContact O-CG 3.47Å; Y216-R220 PolarHBondContact O-N 2.82Å; Y216-L412 HydrophobicContact CD2-CD2 3.5Å; Y216-L412 VanDerWaalsContact CD2-CD2 3.5Å; Y216-L412 HydrophobicContact CE2-CD2 3.6Å; Y216-L412 HydrophobicContact CG-CD2 4.46Å; Y216-R421 HydrophobicContact CD2-CB 4.06Å; Y216-R421 HydrophobicContact CE1-CB 4.33Å; Y216-R421 HydrophobicContact CE2-CB 3.62Å; Y216-R421 HydrophobicContact CE2-CG 3.84Å; Y216-R421 WeakPolarHBondContact OH-CG 3.37Å; Y216-F424 HydrophobicContact CD1-CB 3.84Å; Y216-F424 HydrophobicContact CD1-CG 4.19Å; Y216-F424 HydrophobicContact CE1-CB 3.49Å; Y216-F424 VanDerWaalsContact CE1-CB 3.49Å; Y216-F424 AromaticContact CE1-CD1 3.83Å; Y216-F424 HydrophobicContact CE1-CD1 3.83Å; Y216-F424 HydrophobicContact CE1-CD2 4.44Å; Y216-F424 AromaticContact CE1-CG 3.66Å; Y216-F424 HydrophobicContact CE1-CG 3.66Å; Y216-H425 PolarHBondContact OH-NE2 3.2Å; Y216-H425 VanDerWaalsContact OH-NE2 3.09Å; Y216-E518 PolarHBondContact OH-OE1 2.97Å
217	Q	97.7	Very high	93.9	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-63.6	-37.4	179.6	-75.2	-177.5	93.3	0	0	114.1	N166 L213 F214 V215 R220 G221 C246 L248 F424	N166-Q217 WeakPolarHBondContact CB-O 3.34Å; N166-Q217 WeakPolarHBondContact ND2-CB 3.5Å; N166-Q217 WeakPolarHBondContact ND2-CG 3.24Å; N166-Q217 PolarHBondContact ND2-OE1 3.17Å; L213-Q217 WeakPolarHBondContact O-CB 3.24Å; L213-Q217 VanDerWaalsContact O-CG 3.31Å; L213-Q217 WeakPolarHBondContact O-CG 3.31Å; L213-Q217 PolarHBondContact O-N 3.17Å; L213-Q217 VanDerWaalsContact O-N 3.1Å; L213-Q217 PolarHBondContact O-NE2 2.75Å; F214-Q217 PolarHBondContact O-N 2.96Å; V215-Q217 PolarHBondContact O-N 3.09Å; Q217-R220 PolarHBondContact O-N 3.34Å; Q217-G221 PolarHBondContact O-N 2.97Å; Q217-G221 VanDerWaalsContact O-N 3.08Å; Q217-C246 PolarHBondContact NE2-O 3.01Å; Q217-L248 HydrophobicContact CB-CB 4.07Å; Q217-L248 HydrophobicContact CB-CD2 4.23Å; Q217-F424 HydrophobicContact CG-CD2 3.76Å; Q217-F424 HydrophobicContact CG-CE2 4.01Å
218	I	98.7	Very high	94.4	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-60.5	-49.6	174.2	-64.9	160.8	0	0	0	109.4	L196 F214 V215 Y216 R220 G221 L222 L235 L240 L248 V301 I304	L196-I218 HydrophobicContact CD2-CD1 4.47Å; F214-I218 VanDerWaalsContact O-CG1 3.24Å; F214-I218 WeakPolarHBondContact O-CG1 3.48Å; F214-I218 PolarHBondContact O-N 3.34Å; V215-I218 PolarHBondContact O-N 3.41Å; Y216-I218 PolarHBondContact O-N 2.69Å; I218-R220 PolarHBondContact O-N 2.81Å; I218-G221 PolarHBondContact O-N 2.69Å; I218-G221 VanDerWaalsContact O-N 3.14Å; I218-L222 HydrophobicContact CG2-CD1 4.16Å; I218-L222 HydrophobicContact CG2-CG 4.44Å; I218-L222 PolarHBondContact O-N 3.3Å; I218-L235 HydrophobicContact CG2-CD2 4Å; I218-L240 HydrophobicContact CD1-CD1 3.54Å; I218-L240 HydrophobicContact CG1-CD1 3.92Å; I218-L240 HydrophobicContact CG1-CD2 4.08Å; I218-L248 HydrophobicContact CD1-CD1 4.13Å; I218-L248 HydrophobicContact CG1-CD1 3.76Å; I218-L248 HydrophobicContact CG1-CD2 3.66Å; I218-L248 HydrophobicContact CG1-CG 4.41Å; I218-V301 HydrophobicContact CG2-CG2 3.71Å; I218-I304 HydrophobicContact CD1-CG2 4.1Å
219	L	98.7	Very high	94.7	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-65.6	-35	-179.2	-67.4	167.8	0	0	0	112.7	V215 Y216 L222 K223 V301 A411 L412 L417	V215-L219 HydrophobicContact CG1-CD1 3.91Å; V215-L219 HydrophobicContact CG1-CG 4.48Å; V215-L219 WeakPolarHBondContact O-CG 3.22Å; V215-L219 PolarHBondContact O-N 3.07Å; Y216-L219 PolarHBondContact O-N 2.82Å; L219-L222 PolarHBondContact O-N 2.73Å; L219-K223 WeakPolarHBondContact O-CB 3.28Å; L219-K223 PolarHBondContact O-N 3.1Å; L219-V301 HydrophobicContact CD2-CG1 4.11Å; L219-V301 HydrophobicContact CD2-CG2 4.39Å; L219-V301 HydrophobicContact CG-CG1 4.39Å; L219-A411 HydrophobicContact CD1-CB 3.7Å; L219-A411 HydrophobicContact CD2-CB 3.78Å; L219-A411 HydrophobicContact CG-CB 4.37Å; L219-L412 HydrophobicContact CB-CD1 4.43Å; L219-L412 HydrophobicContact CB-CD2 3.71Å; L219-L412 HydrophobicContact CB-CG 3.76Å; L219-L417 HydrophobicContact CD1-CD1 3.48Å; L219-L417 VanDerWaalsContact CD1-CD1 3.48Å
220	R	97.1	Very high	95.1	Very high	15 Å²	15	6.4 Å²	6.4	6%	0.057	3%	0.034	C	C	.	.	H	α-helix	trans	-58.6	-48.3	170.1	-65	175.1	95	-100.5	-14.8	111.3	S165 N166 Y216 Q217 I218 L222 K223 Y224 L412 F424 E518	S165-R220 PolarHBondContact OG-NH1 2.87Å; N166-R220 PolarHBondContact OD1-NH1 3.45Å; Y216-R220 HydrophobicContact CD1-CG 4.4Å; Y216-R220 HydrophobicContact CE1-CG 4.11Å; Y216-R220 HydrophobicContact CE2-CG 4.26Å; Y216-R220 VanDerWaalsContact O-CG 3.32Å; Y216-R220 WeakPolarHBondContact O-CG 3.47Å; Y216-R220 PolarHBondContact O-N 2.82Å; Q217-R220 PolarHBondContact O-N 3.34Å; I218-R220 PolarHBondContact O-N 2.81Å; R220-L222 VanDerWaalsContact C-N 3.35Å; R220-L222 PolarHBondContact O-N 3.03Å; R220-K223 PolarHBondContact O-N 2.82Å; R220-Y224 PolarHBondContact O-N 2.99Å; R220-Y224 VanDerWaalsContact O-N 3.17Å; R220-L412 HydrophobicContact CG-CD2 4.05Å; R220-F424 VanDerWaalsContact NH1-CZ 3.29Å; R220-E518 HydrophobicContact CG-CG 4.41Å; R220-E518 WeakPolarHBondContact CG-OE2 3.37Å; R220-E518 IonicContact CZ-OE1 3.93Å; R220-E518 IonicContact CZ-OE2 2.68Å; R220-E518 IonicContact NE-OE1 3.74Å; R220-E518 PolarHBondContact NE-OE1 2.78Å; R220-E518 IonicContact NE-OE2 2.98Å; R220-E518 PolarHBondContact NE-OE2 2.97Å; R220-E518 IonicContact NH1-OE2 3.79Å; R220-E518 IonicContact NH2-OE1 3.67Å; R220-E518 PolarHBondContact NH2-OE1 2.77Å; R220-E518 IonicContact NH2-OE2 3.92Å; R220-E518 PolarHBondContact NH2-OE2 3.31Å
221	G	97.7	Very high	95.3	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-60.4	-43.2	177.4	0	0	0	0	0	112.4	Q217 I218 Y224 L225	Q217-G221 PolarHBondContact O-N 2.97Å; Q217-G221 VanDerWaalsContact O-N 3.08Å; I218-G221 PolarHBondContact O-N 2.69Å; I218-G221 VanDerWaalsContact O-N 3.14Å; G221-Y224 PolarHBondContact O-N 3.26Å; G221-L225 WeakPolarHBondContact O-CG 3.41Å; G221-L225 PolarHBondContact O-N 3.48Å
222	L	98.1	Very high	95.4	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-68.9	-39.6	177.3	-69.8	179.9	0	0	0	112.8	I218 L219 R220 Y224 L225 H226 L235 I250 D297 V301 A408	I218-L222 HydrophobicContact CG2-CD1 4.16Å; I218-L222 HydrophobicContact CG2-CG 4.44Å; I218-L222 PolarHBondContact O-N 3.3Å; L219-L222 PolarHBondContact O-N 2.73Å; R220-L222 VanDerWaalsContact C-N 3.35Å; R220-L222 PolarHBondContact O-N 3.03Å; L222-Y224 VanDerWaalsContact C-N 3.26Å; L222-Y224 PolarHBondContact O-N 3.14Å; L222-L225 HydrophobicContact CD2-CD1 4.25Å; L222-L225 PolarHBondContact O-N 3.06Å; L222-L225 VanDerWaalsContact O-N 3.17Å; L222-H226 VanDerWaalsContact O-CB 3.22Å; L222-H226 WeakPolarHBondContact O-CB 3.29Å; L222-H226 PolarHBondContact O-N 3.12Å; L222-L235 HydrophobicContact CD1-CD2 4Å; L222-I250 HydrophobicContact CD2-CD1 4.15Å; L222-I250 HydrophobicContact CG-CD1 4.19Å; L222-D297 HydrophobicContact CD1-CB 4.12Å; L222-D297 HydrophobicContact CD2-CB 3.97Å; L222-V301 HydrophobicContact CD1-CG2 3.37Å; L222-A408 HydrophobicContact CB-CB 4.13Å
223	K	96.2	Very high	95.4	Very high	16 Å²	16	7.6 Å²	7.6	7%	0.07	4%	0.037	C	C	.	.	H	α-helix	trans	-56.4	-44.4	173.9	-179.5	174.9	177.2	173.6	0	110.8	L219 R220 S227 A408 E409 L412 N516 E518	L219-K223 WeakPolarHBondContact O-CB 3.28Å; L219-K223 PolarHBondContact O-N 3.1Å; R220-K223 PolarHBondContact O-N 2.82Å; K223-S227 VanDerWaalsContact O-CB 3.24Å; K223-S227 WeakPolarHBondContact O-CB 3.23Å; K223-S227 PolarHBondContact O-N 2.92Å; K223-S227 VanDerWaalsContact O-N 3.07Å; K223-S227 PolarHBondContact O-OG 3Å; K223-A408 HydrophobicContact CB-CB 3.86Å; K223-E409 HydrophobicContact CD-CB 4.41Å; K223-E409 WeakPolarHBondContact CE-OE1 3.39Å; K223-E409 IonicContact NZ-OE1 2.79Å; K223-E409 PolarHBondContact NZ-OE1 3Å; K223-L412 HydrophobicContact CB-CD1 4.03Å; K223-L412 HydrophobicContact CD-CD1 3.76Å; K223-N516 PolarHBondContact NZ-ND2 3.35Å; K223-N516 PolarHBondContact NZ-OD1 2.83Å; K223-E518 HydrophobicContact CD-CB 3.78Å; K223-E518 WeakPolarHBondContact CE-O 3.46Å; K223-E518 PolarHBondContact NZ-O 3.38Å
224	Y	95.4	Very high	95.3	Very high	1 Å²	1	8.1 Å²	8.1	0%	0.004	4%	0.04	C	C	.	.	H	α-helix	trans	-64	-46	174.6	176.1	-93.8	0	0	0	112.6	L162 R163 H164 I167 R220 G221 L222 S227 A228 F521 I524 H525	L162-Y224 HydrophobicContact CB-CE1 4.19Å; L162-Y224 HydrophobicContact CD2-CE1 3.7Å; R163-Y224 PolarHBondContact N-OH 3.25Å; R163-Y224 PolarHBondContact O-OH 2.96Å; H164-Y224 HydrophobicContact CB-CD1 3.68Å; H164-Y224 HydrophobicContact CB-CD2 4.05Å; H164-Y224 HydrophobicContact CB-CE1 3.8Å; H164-Y224 HydrophobicContact CB-CE2 4.15Å; H164-Y224 HydrophobicContact CB-CG 3.81Å; H164-Y224 AromaticContact CG-CG 3.86Å; I167-Y224 HydrophobicContact CG1-CD1 4.03Å; I167-Y224 HydrophobicContact CG1-CE1 4.42Å; R220-Y224 PolarHBondContact O-N 2.99Å; R220-Y224 VanDerWaalsContact O-N 3.17Å; G221-Y224 PolarHBondContact O-N 3.26Å; L222-Y224 VanDerWaalsContact C-N 3.26Å; L222-Y224 PolarHBondContact O-N 3.14Å; Y224-S227 WeakPolarHBondContact CA-OG 3.27Å; Y224-S227 PolarHBondContact O-OG 2.95Å; Y224-A228 PolarHBondContact O-N 3.01Å; Y224-A228 VanDerWaalsContact O-N 3.09Å; Y224-F521 HydrophobicContact CD2-CB 4.33Å; Y224-F521 HydrophobicContact CE1-CD2 4.05Å; Y224-F521 HydrophobicContact CE2-CB 4.19Å; Y224-F521 AromaticContact CE2-CD2 3.81Å; Y224-F521 HydrophobicContact CE2-CD2 3.81Å; Y224-F521 HydrophobicContact CE2-CG 4.43Å; Y224-F521 AromaticContact CZ-CD2 3.47Å; Y224-F521 VanDerWaalsContact CZ-CD2 3.47Å; Y224-F521 VanDerWaalsContact OH-CD2 3.25Å; Y224-F521 WeakPolarHBondContact OH-CD2 3.47Å; Y224-F521 WeakPolarHBondContact OH-CE2 3.41Å; Y224-I524 HydrophobicContact CD2-CD1 3.88Å; Y224-I524 HydrophobicContact CE2-CD1 3.69Å; Y224-H525 AromaticContact CZ-NE2 3.95Å; Y224-H525 PolarHBondContact OH-NE2 3.1Å
225	L	95.8	Very high	95.3	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-65.2	-47.9	179.1	-76.5	168.6	0	0	0	113	L162 I167 G221 L222 S227 A228 G229 V230 I250 F253	L162-L225 HydrophobicContact CD1-CD2 3.52Å; L162-L225 HydrophobicContact CD2-CD2 3.94Å; L162-L225 HydrophobicContact CG-CD2 4.39Å; I167-L225 HydrophobicContact CD1-CD1 3.62Å; I167-L225 HydrophobicContact CD1-CD2 4.17Å; I167-L225 HydrophobicContact CD1-CG 3.74Å; G221-L225 WeakPolarHBondContact O-CG 3.41Å; G221-L225 PolarHBondContact O-N 3.48Å; L222-L225 HydrophobicContact CD2-CD1 4.25Å; L222-L225 PolarHBondContact O-N 3.06Å; L222-L225 VanDerWaalsContact O-N 3.17Å; L225-S227 VanDerWaalsContact C-N 3.3Å; L225-S227 PolarHBondContact O-N 2.74Å; L225-A228 CarbonylContact O-C 3.42Å; L225-A228 WeakPolarHBondContact O-CA 3.08Å; L225-A228 VanDerWaalsContact O-CB 3.27Å; L225-A228 WeakPolarHBondContact O-CB 3.21Å; L225-A228 PolarHBondContact O-N 3.18Å; L225-G229 PolarHBondContact O-N 3.42Å; L225-V230 CarbonylContact C-O 3.59Å; L225-V230 HydrophobicContact CD2-CB 4.4Å; L225-V230 HydrophobicContact CD2-CG1 4.23Å; L225-V230 PolarHBondContact O-N 2.75Å; L225-I250 HydrophobicContact CD1-CD1 4.2Å; L225-I250 HydrophobicContact CD1-CG2 4.49Å; L225-F253 HydrophobicContact CD1-CE1 4.05Å; L225-F253 HydrophobicContact CD2-CE1 4Å
226	H	94.8	Very high	95.1	Very high	32 Å²	32	9.8 Å²	9.8	15%	0.148	5%	0.047	C	C	.	.	H	α-helix	trans	-65.8	-37.8	-177.1	-66.1	176.7	0	0	0	111	L222 A228 G229 V230 A294 D297 Q298	L222-H226 VanDerWaalsContact O-CB 3.22Å; L222-H226 WeakPolarHBondContact O-CB 3.29Å; L222-H226 PolarHBondContact O-N 3.12Å; H226-A228 VanDerWaalsContact C-N 3.32Å; H226-G229 WeakPolarHBondContact O-CA 3.4Å; H226-G229 PolarHBondContact O-N 3.49Å; H226-V230 PolarHBondContact CD2-O 2.63Å; H226-V230 VanDerWaalsContact CD2-O 3.31Å; H226-A294 HydrophobicContact CB-CB 4.17Å; H226-A294 PolarHBondContact CE1-O 2.83Å; H226-D297 IonicContact CD2-OD2 3.77Å; H226-D297 IonicContact CE1-OD2 3.75Å; H226-D297 IonicContact NE2-OD2 2.67Å; H226-D297 PolarHBondContact NE2-OD2 3.2Å; H226-Q298 PolarHBondContact CE1-NE2 3.13Å; H226-Q298 PolarHBondContact ND1-NE2 2.89Å
227	S	93.1	Very high	95	Very high	22 Å²	22	9.8 Å²	9.8	15%	0.154	5%	0.048	C	C	.	.	H	α-helix	trans	-66.6	-33.2	171.3	59.3	0	0	0	0	112	K223 Y224 L225 G229 T520 F521 Q522	K223-S227 VanDerWaalsContact O-CB 3.24Å; K223-S227 WeakPolarHBondContact O-CB 3.23Å; K223-S227 PolarHBondContact O-N 2.92Å; K223-S227 VanDerWaalsContact O-N 3.07Å; K223-S227 PolarHBondContact O-OG 3Å; Y224-S227 WeakPolarHBondContact CA-OG 3.27Å; Y224-S227 PolarHBondContact O-OG 2.95Å; L225-S227 VanDerWaalsContact C-N 3.3Å; L225-S227 PolarHBondContact O-N 2.74Å; S227-G229 PolarHBondContact O-N 3.48Å; S227-T520 WeakPolarHBondContact OG-CA 3.44Å; S227-T520 WeakPolarHBondContact OG-CB 3.49Å; S227-F521 PolarHBondContact OG-N 3.12Å; S227-Q522 VanDerWaalsContact CB-OE1 3.29Å; S227-Q522 VanDerWaalsContact O-CD 3.27Å; S227-Q522 PolarHBondContact O-NE2 2.67Å; S227-Q522 PolarHBondContact O-OE1 2.89Å
228	A	93.3	Very high	94.8	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-0.6	169.2	0	0	0	0	0	114.6	L162 Y224 L225 H226 V230 F521 Y529 I530	L162-A228 HydrophobicContact CD2-CB 4.47Å; Y224-A228 PolarHBondContact O-N 3.01Å; Y224-A228 VanDerWaalsContact O-N 3.09Å; L225-A228 CarbonylContact O-C 3.42Å; L225-A228 WeakPolarHBondContact O-CA 3.08Å; L225-A228 VanDerWaalsContact O-CB 3.27Å; L225-A228 WeakPolarHBondContact O-CB 3.21Å; L225-A228 PolarHBondContact O-N 3.18Å; H226-A228 VanDerWaalsContact C-N 3.32Å; A228-V230 VanDerWaalsContact C-N 3.34Å; A228-V230 HydrophobicContact CB-CG2 4.13Å; A228-F521 HydrophobicContact CB-CB 3.6Å; A228-F521 HydrophobicContact CB-CD1 3.95Å; A228-F521 HydrophobicContact CB-CD2 3.47Å; A228-F521 VanDerWaalsContact CB-CD2 3.47Å; A228-F521 HydrophobicContact CB-CE2 4.14Å; A228-F521 HydrophobicContact CB-CG 3.38Å; A228-Y529 WeakPolarHBondContact O-CA 3.46Å; A228-I530 HydrophobicContact CB-CD1 4.09Å; A228-I530 HydrophobicContact CB-CG1 4.42Å; A228-I530 PolarHBondContact O-N 2.7Å
229	G	91.8	Very high	94.6	Very high	11 Å²	11	11.8 Å²	11.8	11%	0.113	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	23.2	-173.5	0	0	0	0	0	113.1	L225 H226 S227 S258 V259	L225-G229 PolarHBondContact O-N 3.42Å; H226-G229 WeakPolarHBondContact O-CA 3.4Å; H226-G229 PolarHBondContact O-N 3.49Å; S227-G229 PolarHBondContact O-N 3.48Å; G229-S258 CarbonylContact O-C 3.48Å; G229-S258 VanDerWaalsContact O-CA 3.22Å; G229-S258 WeakPolarHBondContact O-CA 3.4Å; G229-V259 PolarHBondContact O-N 3.4Å
230	V	93.1	Very high	94.5	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	123.6	-175.7	179.2	0	0	0	0	110.6	L158 L225 H226 A228 A256 R257 I530	L158-V230 HydrophobicContact CD1-CG1 3.97Å; L158-V230 HydrophobicContact CD2-CB 4.41Å; L158-V230 HydrophobicContact CD2-CG1 3.95Å; L158-V230 HydrophobicContact CD2-CG2 3.56Å; L225-V230 CarbonylContact C-O 3.59Å; L225-V230 HydrophobicContact CD2-CB 4.4Å; L225-V230 HydrophobicContact CD2-CG1 4.23Å; L225-V230 PolarHBondContact O-N 2.75Å; H226-V230 PolarHBondContact CD2-O 2.63Å; H226-V230 VanDerWaalsContact CD2-O 3.31Å; A228-V230 VanDerWaalsContact C-N 3.34Å; A228-V230 HydrophobicContact CB-CG2 4.13Å; V230-A256 HydrophobicContact CG1-CB 4.05Å; V230-R257 WeakPolarHBondContact CA-O 3.48Å; V230-I530 HydrophobicContact CG2-CB 4.19Å; V230-I530 HydrophobicContact CG2-CD1 4.47Å
231	I	93.1	Very high	94.4	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	130.5	169.9	-46.9	172.4	0	0	0	108.2	R233 A256 R257 V259 Y292 V296 D297	I231-R233 HydrophobicContact CB-CG 4.22Å; I231-R233 HydrophobicContact CG2-CG 3.67Å; I231-A256 CarbonylContact O-C 3.57Å; I231-A256 WeakPolarHBondContact O-CA 3.22Å; I231-A256 VanDerWaalsContact O-CB 3.27Å; I231-A256 WeakPolarHBondContact O-CB 2.88Å; I231-R257 PolarHBondContact N-O 3.27Å; I231-R257 PolarHBondContact O-N 3.4Å; I231-V259 HydrophobicContact CD1-CG2 3.79Å; I231-V259 HydrophobicContact CG1-CG2 3.39Å; I231-Y292 HydrophobicContact CD1-CD2 4.1Å; I231-Y292 HydrophobicContact CD1-CE2 4.37Å; I231-V296 HydrophobicContact CG2-CG2 3.33Å; I231-D297 WeakPolarHBondContact CG2-OD2 3.41Å
232	H	93.1	Very high	94.1	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.072	C	C	.	.			trans	-75	-42.8	-178.8	-169	-57.1	0	0	0	113.2	D234 I250 C251 D252 F253 D297	H232-D234 PolarHBondContact ND1-N 2.92Å; H232-D234 PolarHBondContact O-N 3.15Å; H232-I250 WeakPolarHBondContact CD2-CG2 3.49Å; H232-I250 WeakPolarHBondContact NE2-CG2 3.41Å; H232-C251 PolarHBondContact NE2-O 3.26Å; H232-D252 PolarHBondContact CE1-O 3.48Å; H232-D252 PolarHBondContact NE2-O 3.25Å; H232-F253 AromaticContact CD2-CD1 3.91Å; H232-F253 AromaticContact CD2-CE1 3.81Å; H232-D297 PolarHBondContact N-OD1 3.27Å; H232-D297 PolarHBondContact N-OD2 3.33Å
233	R	91.6	Very high	93.5	Very high	62 Å²	62	14.2 Å²	14.2	23%	0.234	8%	0.079	C	C	.	.	S	Bend	trans	63.9	-6.5	178.7	-62.6	-173.9	58.6	-170.1	-13.4	118.3	I231 Y292 V296 D297	I231-R233 HydrophobicContact CB-CG 4.22Å; I231-R233 HydrophobicContact CG2-CG 3.67Å; R233-Y292 HydrophobicContact CG-CE2 4.44Å; R233-Y292 PolarHBondContact NH1-OH 2.76Å; R233-V296 HydrophobicContact CG-CG2 4.26Å; R233-D297 PolarHBondContact N-OD1 3.24Å
234	D	91.4	Very high	92.8	Very high	12 Å²	12	15 Å²	15	6%	0.064	9%	0.086	C	C	.	.			trans	-136.9	38.7	-179.2	-163.9	45.3	0	0	0	111.1	H232 K236 N239 L255 T277	H232-D234 PolarHBondContact ND1-N 2.92Å; H232-D234 PolarHBondContact O-N 3.15Å; D234-K236 PolarHBondContact O-N 2.79Å; D234-K236 IonicContact OD1-NZ 2.73Å; D234-K236 IonicContact OD2-NZ 2.81Å; D234-K236 PolarHBondContact OD2-NZ 2.83Å; D234-N239 PolarHBondContact O-ND2 3.46Å; D234-N239 PolarHBondContact OD2-ND2 2.84Å; D234-N239 VanDerWaalsContact OD2-ND2 3.09Å; D234-L255 HydrophobicContact CB-CB 4.21Å; D234-L255 HydrophobicContact CB-CD1 3.77Å; D234-T277 WeakPolarHBondContact OD1-CG2 3.39Å
235	L	94.9	Very high	92.2	Very high	1 Å²	1	19 Å²	19	1%	0.005	11%	0.108	C	C	.	.			trans	-73.5	121.7	177.2	-160.5	78.1	0	0	0	109.1	I218 L222 L240 I250 Y280 S300 V301 I304	I218-L235 HydrophobicContact CG2-CD2 4Å; L222-L235 HydrophobicContact CD1-CD2 4Å; L235-L240 HydrophobicContact CD1-CD2 3.88Å; L235-I250 HydrophobicContact CD1-CD1 4.45Å; L235-I250 HydrophobicContact CD1-CG2 3.96Å; L235-Y280 VanDerWaalsContact O-CB 3.31Å; L235-Y280 WeakPolarHBondContact O-CB 3.34Å; L235-S300 WeakPolarHBondContact O-CB 3.46Å; L235-V301 HydrophobicContact CD2-CG2 3.55Å; L235-I304 HydrophobicContact CD2-CD1 3.92Å; L235-I304 HydrophobicContact CG-CD1 3.9Å
236	K	94.7	Very high	91.8	Very high	33 Å²	33	19 Å²	19	14%	0.143	11%	0.108	C	C	.	.			trans	-155	159.6	179.4	65.5	-161.4	-176.4	-146	0	108.9	D234 G238 N239 T277 Y280	D234-K236 PolarHBondContact O-N 2.79Å; D234-K236 IonicContact OD1-NZ 2.73Å; D234-K236 IonicContact OD2-NZ 2.81Å; D234-K236 PolarHBondContact OD2-NZ 2.83Å; K236-G238 PolarHBondContact O-N 2.68Å; K236-N239 WeakPolarHBondContact CE-ND2 3.02Å; K236-N239 WeakPolarHBondContact CE-OD1 3.38Å; K236-N239 HydrophobicContact CG-CB 4.12Å; K236-N239 PolarHBondContact O-N 3.07Å; K236-T277 HydrophobicContact CD-CG2 3.27Å; K236-Y280 HydrophobicContact CB-CD2 3.45Å; K236-Y280 VanDerWaalsContact CB-CD2 3.45Å; K236-Y280 HydrophobicContact CB-CE2 3.54Å; K236-Y280 HydrophobicContact CB-CG 4.03Å
237	P	95.2	Very high	91.6	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.006	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-54.5	-31.8	-179.1	-27	35.8	0	0	0	114.3	L196 H197 I200 N239 L240 Y280 I304	L196-P237 HydrophobicContact CB-CB 4.1Å; L196-P237 WeakPolarHBondContact CB-O 3.4Å; L196-P237 HydrophobicContact CG-CB 4.45Å; L196-P237 PolarHBondContact N-O 3.33Å; L196-P237 VanDerWaalsContact N-O 3.14Å; H197-P237 HydrophobicContact CB-CB 3.84Å; H197-P237 PolarHBondContact N-O 3.44Å; I200-P237 HydrophobicContact CD1-CB 3.84Å; I200-P237 HydrophobicContact CD1-CG 3.9Å; P237-N239 VanDerWaalsContact C-N 3.27Å; P237-N239 PolarHBondContact O-N 2.94Å; P237-L240 PolarHBondContact O-N 2.66Å; P237-Y280 VanDerWaalsContact CD-CE1 3.41Å; P237-Y280 VanDerWaalsContact CD-OH 3.23Å; P237-Y280 WeakPolarHBondContact CD-OH 3.45Å; P237-Y280 HydrophobicContact CG-CE1 4.05Å; P237-I304 HydrophobicContact CG-CG1 4.08Å
238	G	92.5	Very high	91.8	Very high	28 Å²	28	18.1 Å²	18.1	29%	0.289	10%	0.102	S	C	.	.	G	3₁₀ helix	trans	-68.6	-19.3	175.7	0	0	0	0	0	115.3	K236	K236-G238 PolarHBondContact O-N 2.68Å
239	N	94.4	Very high	92	Very high	13 Å²	13	18.6 Å²	18.6	7%	0.07	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-100.1	11.6	177.6	-71.5	-6	0	0	0	112.4	D234 K236 P237 C251	D234-N239 PolarHBondContact O-ND2 3.46Å; D234-N239 PolarHBondContact OD2-ND2 2.84Å; D234-N239 VanDerWaalsContact OD2-ND2 3.09Å; K236-N239 WeakPolarHBondContact CE-ND2 3.02Å; K236-N239 WeakPolarHBondContact CE-OD1 3.38Å; K236-N239 HydrophobicContact CG-CB 4.12Å; K236-N239 PolarHBondContact O-N 3.07Å; P237-N239 VanDerWaalsContact C-N 3.27Å; P237-N239 PolarHBondContact O-N 2.94Å; N239-C251 PolarHBondContact O-N 2.75Å; N239-C251 VanDerWaalsContact O-N 3.08Å; N239-C251 PolarHBondContact O-SG 3.28Å; N239-C251 VanDerWaalsContact O-SG 3.42Å
240	L	96.9	Very high	92.3	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	92.7	178.2	-62.2	176.8	0	0	0	108.7	D195 L196 I218 L235 P237 L248 I250 I304	D195-L240 CarbonylContact C-O 3.49Å; D195-L240 WeakPolarHBondContact CA-O 3.35Å; L196-L240 HydrophobicContact CB-CB 3.89Å; L196-L240 HydrophobicContact CD2-CB 4.3Å; L196-L240 HydrophobicContact CD2-CD1 3.64Å; L196-L240 PolarHBondContact N-O 3.45Å; I218-L240 HydrophobicContact CD1-CD1 3.54Å; I218-L240 HydrophobicContact CG1-CD1 3.92Å; I218-L240 HydrophobicContact CG1-CD2 4.08Å; L235-L240 HydrophobicContact CD1-CD2 3.88Å; P237-L240 PolarHBondContact O-N 2.66Å; L240-L248 HydrophobicContact CB-CD1 4.22Å; L240-L248 HydrophobicContact CB-CG 4.45Å; L240-L248 HydrophobicContact CD2-CD2 4.22Å; L240-I250 HydrophobicContact CD2-CB 4.47Å; L240-I250 HydrophobicContact CD2-CG1 3.83Å; L240-I304 HydrophobicContact CD1-CD1 3.88Å; L240-I304 HydrophobicContact CD1-CG2 4.18Å
241	L	95.7	Very high	92.4	Very high	40 Å²	40	18.9 Å²	18.9	21%	0.209	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	140.7	-178.3	-55.6	179.5	0	0	0	110.6	V168 M192 T194 D195 L248 K249 C251	V168-L241 HydrophobicContact CG2-CD1 4.31Å; M192-L241 HydrophobicContact CB-CB 3.63Å; M192-L241 HydrophobicContact CB-CD1 4.24Å; M192-L241 HydrophobicContact CB-CG 4.46Å; M192-L241 HydrophobicContact CE-CB 4.46Å; M192-L241 HydrophobicContact CG-CB 3.7Å; M192-L241 HydrophobicContact CG-CD1 4.07Å; T194-L241 CarbonylContact O-C 3.52Å; T194-L241 WeakPolarHBondContact O-CA 3.44Å; D195-L241 HydrophobicContact CB-CD2 4.33Å; L241-L248 CarbonylContact O-C 3.55Å; L241-L248 VanDerWaalsContact O-CA 3.26Å; L241-L248 WeakPolarHBondContact O-CA 3.08Å; L241-K249 PolarHBondContact N-O 3.44Å; L241-K249 PolarHBondContact O-N 2.7Å; L241-C251 HydrophobicContact CD1-CB 3.97Å; L241-C251 HydrophobicContact CG-CB 4.26Å
242	V	91.1	Very high	92.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	137	-175.8	-178.3	0	0	0	0	110.2	D193 T194 L196 I199 F214 L247 L248 L493	D193-V242 PolarHBondContact N-O 3.39Å; T194-V242 HydrophobicContact CG2-CB 4.19Å; T194-V242 PolarHBondContact N-O 2.71Å; T194-V242 PolarHBondContact O-N 2.92Å; L196-V242 HydrophobicContact CB-CG2 4.43Å; L196-V242 HydrophobicContact CD1-CG2 4.24Å; I199-V242 HydrophobicContact CD1-CB 3.73Å; I199-V242 HydrophobicContact CD1-CG1 3.67Å; I199-V242 HydrophobicContact CD1-CG2 3.96Å; F214-V242 HydrophobicContact CE1-CG1 3.7Å; F214-V242 HydrophobicContact CE1-CG2 4.09Å; F214-V242 HydrophobicContact CZ-CG1 3.95Å; V242-L247 WeakPolarHBondContact CA-O 3.35Å; V242-L248 HydrophobicContact CG2-CB 4.33Å; V242-L248 HydrophobicContact CG2-CD1 4.2Å; V242-L248 HydrophobicContact CG2-CG 4.29Å; V242-L493 HydrophobicContact CG1-CD2 4.38Å
243	N	86.4	Confident	92.2	Very high	27 Å²	27	19.7 Å²	19.7	14%	0.144	11%	0.108	C	C	.	.			trans	-101.7	174.8	170.3	79.3	-4.7	0	0	0	111.6	M192 D193 D245 C246 L247	M192-N243 HydrophobicContact CE-CB 4.02Å; M192-N243 HydrophobicContact SD-CB 4.28Å; D193-N243 WeakPolarHBondContact OD2-CA 3.5Å; N243-D245 PolarHBondContact O-N 2.89Å; N243-D245 PolarHBondContact OD1-N 2.87Å; N243-D245 VanDerWaalsContact OD1-N 3.1Å; N243-C246 WeakPolarHBondContact O-CA 3.4Å; N243-C246 PolarHBondContact O-N 2.98Å; N243-C246 PolarHBondContact OD1-N 2.83Å; N243-L247 PolarHBondContact N-O 2.91Å; N243-L247 VanDerWaalsContact N-O 3.14Å; N243-L247 VanDerWaalsContact OD1-CB 3.31Å; N243-L247 WeakPolarHBondContact OD1-CB 3.35Å; N243-L247 PolarHBondContact OD1-N 2.5Å
244	S	80.1	Confident	91.7	Very high	32 Å²	32	16.9 Å²	16.9	22%	0.224	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-22.4	-179.2	47.7	0	0	0	0	114.4	D193 C246 R494	D193-S244 WeakPolarHBondContact OD2-CB 3.25Å; D193-S244 PolarHBondContact OD2-N 3.19Å; D193-S244 PolarHBondContact OD2-OG 3.05Å; S244-C246 PolarHBondContact O-N 3.41Å; S244-R494 WeakPolarHBondContact O-CB 3.45Å; S244-R494 PolarHBondContact O-N 2.95Å
245	D	82.4	Confident	91.3	Very high	86 Å²	86	17.6 Å²	17.6	46%	0.46	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	1.1	172.8	-56.7	-48.8	0	0	0	112.8	N243 L247 L428	N243-D245 PolarHBondContact O-N 2.89Å; N243-D245 PolarHBondContact OD1-N 2.87Å; N243-D245 VanDerWaalsContact OD1-N 3.1Å; D245-L247 VanDerWaalsContact C-N 3.26Å; D245-L247 PolarHBondContact O-N 2.96Å; D245-L428 HydrophobicContact CB-CD2 4Å; D245-L428 WeakPolarHBondContact O-CD2 3.47Å
246	C	88	Confident	90.9	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.102	C	C	.	.			trans	66.1	19.2	-171.7	-59.1	0	0	0	0	115	L213 F214 Q217 N243 S244 L248 I495	L213-C246 HydrophobicContact CD2-CB 3.99Å; F214-C246 HydrophobicContact CE1-CB 3.78Å; F214-C246 HydrophobicContact CZ-CB 4.03Å; Q217-C246 PolarHBondContact NE2-O 3.01Å; N243-C246 WeakPolarHBondContact O-CA 3.4Å; N243-C246 PolarHBondContact O-N 2.98Å; N243-C246 PolarHBondContact OD1-N 2.83Å; S244-C246 PolarHBondContact O-N 3.41Å; C246-L248 PolarHBondContact O-N 2.69Å; C246-I495 HydrophobicContact CB-CD1 3.97Å; C246-I495 HydrophobicContact CB-CG1 4.02Å; C246-I495 WeakPolarHBondContact SG-CG1 3.49Å
247	L	91.8	Very high	90.5	Very high	34 Å²	34	16.4 Å²	16.4	18%	0.178	10%	0.097	C	C	.	.			trans	-65.3	126.1	165.5	-176.6	67	0	0	0	108.2	M192 V242 N243 D245 F424	M192-L247 WeakPolarHBondContact CE-O 3.42Å; V242-L247 WeakPolarHBondContact CA-O 3.35Å; N243-L247 PolarHBondContact N-O 2.91Å; N243-L247 VanDerWaalsContact N-O 3.14Å; N243-L247 VanDerWaalsContact OD1-CB 3.31Å; N243-L247 WeakPolarHBondContact OD1-CB 3.35Å; N243-L247 PolarHBondContact OD1-N 2.5Å; D245-L247 VanDerWaalsContact C-N 3.26Å; D245-L247 PolarHBondContact O-N 2.96Å; L247-F424 HydrophobicContact CD1-CE2 4.5Å
248	L	96.6	Very high	90	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	137.5	-178.9	177.1	153.8	0	0	0	110.7	N166 L196 F214 Q217 I218 L240 L241 V242 C246	N166-L248 VanDerWaalsContact CA-O 3.32Å; N166-L248 WeakPolarHBondContact CA-O 3.17Å; N166-L248 WeakPolarHBondContact CB-O 3.32Å; N166-L248 PolarHBondContact ND2-O 2.89Å; L196-L248 HydrophobicContact CD2-CD1 4.45Å; F214-L248 HydrophobicContact CB-CD1 4.09Å; F214-L248 HydrophobicContact CD1-CB 4.18Å; F214-L248 HydrophobicContact CD1-CD1 3.82Å; F214-L248 HydrophobicContact CG-CD1 4.27Å; Q217-L248 HydrophobicContact CB-CB 4.07Å; Q217-L248 HydrophobicContact CB-CD2 4.23Å; I218-L248 HydrophobicContact CD1-CD1 4.13Å; I218-L248 HydrophobicContact CG1-CD1 3.76Å; I218-L248 HydrophobicContact CG1-CD2 3.66Å; I218-L248 HydrophobicContact CG1-CG 4.41Å; L240-L248 HydrophobicContact CB-CD1 4.22Å; L240-L248 HydrophobicContact CB-CG 4.45Å; L240-L248 HydrophobicContact CD2-CD2 4.22Å; L241-L248 CarbonylContact O-C 3.55Å; L241-L248 VanDerWaalsContact O-CA 3.26Å; L241-L248 WeakPolarHBondContact O-CA 3.08Å; V242-L248 HydrophobicContact CG2-CB 4.33Å; V242-L248 HydrophobicContact CG2-CD1 4.2Å; V242-L248 HydrophobicContact CG2-CG 4.29Å; C246-L248 PolarHBondContact O-N 2.69Å
249	K	97.8	Very high	89.2	Confident	11 Å²	11	18.5 Å²	18.5	5%	0.048	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	131.1	178.2	-69.7	175	-178.8	-88.1	0	111.9	S165 N166 E190 M192 L241	S165-K249 WeakPolarHBondContact O-CE 3.34Å; S165-K249 WeakPolarHBondContact O-CG 3.32Å; S165-K249 PolarHBondContact O-NZ 3.14Å; N166-K249 WeakPolarHBondContact O-CA 3.39Å; E190-K249 VanDerWaalsContact CD-NZ 3.27Å; E190-K249 HydrophobicContact CG-CD 4.26Å; E190-K249 WeakPolarHBondContact OE1-CD 3.16Å; E190-K249 WeakPolarHBondContact OE1-CE 3.03Å; E190-K249 IonicContact OE1-NZ 3.78Å; E190-K249 PolarHBondContact OE1-NZ 3.13Å; E190-K249 WeakPolarHBondContact OE2-CE 3.32Å; E190-K249 IonicContact OE2-NZ 3.71Å; E190-K249 PolarHBondContact OE2-NZ 3.24Å; M192-K249 HydrophobicContact CE-CB 4.26Å; M192-K249 HydrophobicContact CE-CD 3.92Å; M192-K249 HydrophobicContact CE-CG 4.05Å; M192-K249 HydrophobicContact CG-CD 4.37Å; M192-K249 HydrophobicContact SD-CD 3.72Å; M192-K249 HydrophobicContact SD-CG 4.49Å; L241-K249 PolarHBondContact N-O 3.44Å; L241-K249 PolarHBondContact O-N 2.7Å
250	I	98.4	Very high	87.6	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	137.4	173.5	-53.1	172.8	0	0	0	109.1	N166 I167 V168 L222 L225 H232 L235 L240 F253	N166-I250 PolarHBondContact O-N 3.15Å; I167-I250 HydrophobicContact CD1-CB 3.93Å; I167-I250 HydrophobicContact CD1-CD1 4.11Å; I167-I250 HydrophobicContact CD1-CG1 4.36Å; V168-I250 PolarHBondContact N-O 2.93Å; L222-I250 HydrophobicContact CD2-CD1 4.15Å; L222-I250 HydrophobicContact CG-CD1 4.19Å; L225-I250 HydrophobicContact CD1-CD1 4.2Å; L225-I250 HydrophobicContact CD1-CG2 4.49Å; H232-I250 WeakPolarHBondContact CD2-CG2 3.49Å; H232-I250 WeakPolarHBondContact NE2-CG2 3.41Å; L235-I250 HydrophobicContact CD1-CD1 4.45Å; L235-I250 HydrophobicContact CD1-CG2 3.96Å; L240-I250 HydrophobicContact CD2-CB 4.47Å; L240-I250 HydrophobicContact CD2-CG1 3.83Å; I250-F253 HydrophobicContact CG2-CE1 4.28Å; I250-F253 HydrophobicContact CG2-CZ 4.47Å
251	C	95.4	Very high	85.7	Confident	17 Å²	17	21.9 Å²	21.9	12%	0.115	13%	0.128	C	C	.	.			trans	-139.6	174.7	176.7	70.4	0	0	0	0	112.2	V168 H232 N239 L241	V168-C251 HydrophobicContact CB-CB 4.02Å; V168-C251 HydrophobicContact CG1-CB 3.61Å; H232-C251 PolarHBondContact NE2-O 3.26Å; N239-C251 PolarHBondContact O-N 2.75Å; N239-C251 VanDerWaalsContact O-N 3.08Å; N239-C251 PolarHBondContact O-SG 3.28Å; N239-C251 VanDerWaalsContact O-SG 3.42Å; L241-C251 HydrophobicContact CD1-CB 3.97Å; L241-C251 HydrophobicContact CG-CB 4.26Å
252	D	90.5	Very high	83.9	Confident	15 Å²	15	26.7 Å²	26.7	8%	0.08	15%	0.147	C	C	.	.			trans	71.1	74	174.4	-154.6	30.2	0	0	0	114.6	F119 K137 H232	F119-D252 VanDerWaalsContact CD2-OD1 3.25Å; F119-D252 WeakPolarHBondContact CD2-OD1 3.32Å; F119-D252 WeakPolarHBondContact CD2-OD2 3.41Å; F119-D252 WeakPolarHBondContact CE2-OD2 3.14Å; K137-D252 IonicContact NZ-OD1 3.19Å; K137-D252 PolarHBondContact NZ-OD1 2.93Å; H232-D252 PolarHBondContact CE1-O 3.48Å; H232-D252 PolarHBondContact NE2-O 3.25Å
253	F	90.3	Very high	82.2	Confident	1 Å²	1	31.4 Å²	31.4	0%	0.004	17%	0.172	C	C	.	.			trans	-93.6	12.4	-176.9	-51.4	-77.3	0	0	0	113.7	E155 L158 L159 L162 I167 V168 L225 H232 I250 L255 A256	E155-F253 VanDerWaalsContact OE2-CA 3.28Å; E155-F253 WeakPolarHBondContact OE2-CA 3.41Å; E155-F253 WeakPolarHBondContact OE2-CB 3.43Å; E155-F253 PolarHBondContact OE2-N 2.73Å; L158-F253 HydrophobicContact CB-CB 4.23Å; L158-F253 HydrophobicContact CB-CG 4.36Å; L158-F253 HydrophobicContact CD1-CB 3.55Å; L158-F253 HydrophobicContact CD1-CD1 4.45Å; L158-F253 HydrophobicContact CD1-CG 4.16Å; L159-F253 HydrophobicContact CD2-CD2 4.24Å; L159-F253 HydrophobicContact CD2-CE2 4.11Å; L159-F253 HydrophobicContact CG-CD2 4.47Å; L162-F253 HydrophobicContact CD1-CD1 4.5Å; L162-F253 HydrophobicContact CD1-CE1 4.21Å; L162-F253 HydrophobicContact CD1-CE2 4.36Å; L162-F253 HydrophobicContact CD1-CZ 4.16Å; I167-F253 HydrophobicContact CG2-CE2 4.28Å; I167-F253 HydrophobicContact CG2-CZ 3.8Å; V168-F253 HydrophobicContact CG1-CE2 4.08Å; L225-F253 HydrophobicContact CD1-CE1 4.05Å; L225-F253 HydrophobicContact CD2-CE1 4Å; H232-F253 AromaticContact CD2-CD1 3.91Å; H232-F253 AromaticContact CD2-CE1 3.81Å; I250-F253 HydrophobicContact CG2-CE1 4.28Å; I250-F253 HydrophobicContact CG2-CZ 4.47Å; F253-L255 PolarHBondContact O-N 3.33Å; F253-L255 VanDerWaalsContact O-N 3.14Å; F253-A256 HydrophobicContact CB-CB 4.05Å; F253-A256 WeakPolarHBondContact O-CB 3.38Å; F253-A256 PolarHBondContact O-N 2.78Å
254	G	81	Confident	80.4	Confident	3 Å²	3	33.4 Å²	33.4	3%	0.031	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-28.3	-178.9	0	0	0	0	0	113.7	R151 E155	R151-G254 WeakPolarHBondContact CA-O 3.42Å; R151-G254 WeakPolarHBondContact CG-O 3.06Å; E155-G254 PolarHBondContact OE2-N 3.14Å
255	L	84.4	Confident	79	Confident	27 Å²	27	34.5 Å²	34.5	14%	0.141	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-1.8	177.2	-64.9	178.1	0	0	0	114	F119 D234 F253 R257	F119-L255 HydrophobicContact CZ-CG 4.47Å; D234-L255 HydrophobicContact CB-CB 4.21Å; D234-L255 HydrophobicContact CB-CD1 3.77Å; F253-L255 PolarHBondContact O-N 3.33Å; F253-L255 VanDerWaalsContact O-N 3.14Å; L255-R257 PolarHBondContact O-NH1 2.81Å
256	A	85.5	Confident	77.2	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.19	C	C	.	.			trans	-63.4	156.8	-177.7	0	0	0	0	0	112.3	R154 L158 V230 I231 F253	R154-A256 WeakPolarHBondContact CD-O 3.31Å; L158-A256 HydrophobicContact CD1-CB 3.58Å; V230-A256 HydrophobicContact CG1-CB 4.05Å; I231-A256 CarbonylContact O-C 3.57Å; I231-A256 WeakPolarHBondContact O-CA 3.22Å; I231-A256 VanDerWaalsContact O-CB 3.27Å; I231-A256 WeakPolarHBondContact O-CB 2.88Å; F253-A256 HydrophobicContact CB-CB 4.05Å; F253-A256 WeakPolarHBondContact O-CB 3.38Å; F253-A256 PolarHBondContact O-N 2.78Å
257	R	87.1	Confident	75	Confident	9 Å²	9	38.4 Å²	38.4	3%	0.034	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	154.4	-179.7	-70.4	-64.8	-177.5	-80.2	1.5	111.6	R154 V230 I231 L255 E265 E533	R154-R257 VanDerWaalsContact NH1-CZ 3.31Å; R154-R257 VanDerWaalsContact NH1-NH1 3.16Å; R154-R257 VanDerWaalsContact NH2-CZ 3.27Å; V230-R257 WeakPolarHBondContact CA-O 3.48Å; I231-R257 PolarHBondContact N-O 3.27Å; I231-R257 PolarHBondContact O-N 3.4Å; L255-R257 PolarHBondContact O-NH1 2.81Å; R257-E265 IonicContact CZ-OE2 2.91Å; R257-E265 IonicContact NH2-OE2 3.31Å; R257-E265 PolarHBondContact NH2-OE2 3.14Å; R257-E533 WeakPolarHBondContact CD-OE1 3.26Å; R257-E533 IonicContact NE-OE1 2.85Å
258	S	83.2	Confident	72.4	Confident	13 Å²	13	41.5 Å²	41.5	9%	0.091	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	142.5	171.5	-59	0	0	0	0	111.2	G229 P260 S261 I530 T532	G229-S258 CarbonylContact O-C 3.48Å; G229-S258 VanDerWaalsContact O-CA 3.22Å; G229-S258 WeakPolarHBondContact O-CA 3.4Å; S258-P260 CarbonylContact O-C 3.58Å; S258-S261 WeakPolarHBondContact O-CB 3.43Å; S258-S261 PolarHBondContact O-N 2.82Å; S258-I530 PolarHBondContact OG-O 2.69Å; S258-I530 VanDerWaalsContact OG-O 3.04Å; S258-T532 PolarHBondContact N-OG1 2.96Å; S258-T532 VanDerWaalsContact N-OG1 3.14Å; S258-T532 PolarHBondContact OG-N 2.82Å; S258-T532 PolarHBondContact OG-OG1 2.78Å
259	V	76.7	Confident	69.4	Low	61 Å²	61	46.8 Å²	46.8	37%	0.37	27%	0.271	S	S	.	.	S	Bend	trans	-85	146.9	175.3	-174.1	0	0	0	0	110.5	G229 I231	G229-V259 PolarHBondContact O-N 3.4Å; I231-V259 HydrophobicContact CD1-CG2 3.79Å; I231-V259 HydrophobicContact CG1-CG2 3.39Å
260	P	60.4	Low	66.7	Low	77 Å²	77	50.2 Å²	50.2	50%	0.5	30%	0.295	S	S	.	.	S	Bend	cis	-75.1	136.6	-21.6	30	-30.8	0	0	0	109.9	S258 F262 F291	S258-P260 CarbonylContact O-C 3.58Å; P260-F262 HydrophobicContact CB-CE2 4.19Å; P260-F262 HydrophobicContact CG-CE2 3.96Å; P260-F291 HydrophobicContact CB-CE2 4.45Å
261	S	56.7	Low	63.8	Low	7 Å²	7	56.2 Å²	56.2	5%	0.049	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-98.4	116.2	178.7	37.5	0	0	0	0	110	S258 Y292	S258-S261 WeakPolarHBondContact O-CB 3.43Å; S258-S261 PolarHBondContact O-N 2.82Å; S261-Y292 WeakPolarHBondContact OG-CD2 3.31Å; S261-Y292 WeakPolarHBondContact OG-CE2 3.22Å
262	F	57.3	Low	61	Low	141 Å²	141	60.3 Å²	60.3	62%	0.618	35%	0.351	S	S	*	.			trans	-95.9	-2.7	172.5	-66.3	-83.2	0	0	0	112.9	P260 F291	P260-F262 HydrophobicContact CB-CE2 4.19Å; P260-F262 HydrophobicContact CG-CE2 3.96Å; F262-F291 HydrophobicContact CD1-CD2 4.11Å; F262-F291 AromaticContact CE1-CD2 3.74Å; F262-F291 HydrophobicContact CE1-CD2 3.74Å; F262-F291 HydrophobicContact CE1-CE2 4.02Å; F262-F291 HydrophobicContact CZ-CD2 4.35Å; F262-F291 HydrophobicContact CZ-CE2 4.19Å
263	D	56.3	Low	58.7	Low	98 Å²	98	63.2 Å²	63.2	52%	0.524	37%	0.366	S	S	.	.			trans	-90.1	121.7	-168.3	-81	-31	0	0	0	113.4	E265 Y292	D263-E265 PolarHBondContact O-N 3.36Å; D263-Y292 PolarHBondContact O-OH 3.02Å
264	V	48.6	Very low	56.5	Low	70 Å²	70	65 Å²	65	42%	0.424	37%	0.374	S	S	.	.			trans	-89.2	76.9	160.7	-160.6	0	0	0	0	105.7	S266 N290	V264-S266 PolarHBondContact O-N 3.49Å; V264-N290 HydrophobicContact CG2-CB 3.72Å; V264-N290 WeakPolarHBondContact CG2-OD1 3.49Å
265	E	51	Low	54.4	Low	55 Å²	55	67.7 Å²	67.7	26%	0.257	39%	0.39	S	S	.	.			trans	-60.8	90.9	141.3	-83.2	-177	172.1	0	0	103.5	K150 R154 R257 D263 P267	K150-E265 WeakPolarHBondContact CD-OE1 3.33Å; K150-E265 WeakPolarHBondContact CE-OE1 3.24Å; K150-E265 IonicContact NZ-OE1 3.73Å; K150-E265 PolarHBondContact NZ-OE1 2.89Å; R154-E265 IonicContact NH1-OE2 3.7Å; R154-E265 IonicContact NH2-OE1 3.66Å; R154-E265 IonicContact NH2-OE2 3.6Å; R257-E265 IonicContact CZ-OE2 2.91Å; R257-E265 IonicContact NH2-OE2 3.31Å; R257-E265 PolarHBondContact NH2-OE2 3.14Å; D263-E265 PolarHBondContact O-N 3.36Å; E265-P267 WeakPolarHBondContact O-CD 3.43Å; E265-P267 VanDerWaalsContact O-N 3.12Å
266	S	43.6	Very low	52.6	Low	75 Å²	75	71 Å²	71	52%	0.524	41%	0.411	S	S	.	.			trans	-44.7	125.5	174.1	-63.6	0	0	0	0	104.8	V264 S268	V264-S266 PolarHBondContact O-N 3.49Å; S266-S268 PolarHBondContact O-N 3.08Å; S266-S268 PolarHBondContact O-OG 2.91Å
267	P	42	Very low	51.5	Low	93 Å²	93	72.2 Å²	72.2	60%	0.604	42%	0.419	S	S	*	.			trans	-67.9	67.6	169.5	26.6	-30.2	0	0	0	107.3	E265 N269	E265-P267 WeakPolarHBondContact O-CD 3.43Å; E265-P267 VanDerWaalsContact O-N 3.12Å; P267-N269 PolarHBondContact O-N 3.08Å
268	S	37.5	Very low	51.1	Low	99 Å²	99	72.2 Å²	72.2	69%	0.692	42%	0.419	S	S	*	.			trans	-76.4	78.6	173.5	55.8	0	0	0	0	106.3	S266	S266-S268 PolarHBondContact O-N 3.08Å; S266-S268 PolarHBondContact O-OG 2.91Å
269	N	34.1	Very low	51.6	Low	111 Å²	111	72.8 Å²	72.8	59%	0.594	42%	0.42	S	S	*	.			trans	54.6	124.4	163.5	-76.4	-16.6	0	0	0	118.4	P267 L271	P267-N269 PolarHBondContact O-N 3.08Å; N269-L271 WeakPolarHBondContact OD1-CD2 3.3Å; N269-L271 VanDerWaalsContact OD1-CG 3.27Å; N269-L271 WeakPolarHBondContact OD1-CG 3.4Å
270	P	40.4	Very low	52.5	Low	83 Å²	83	70.7 Å²	70.7	54%	0.539	41%	0.406	S	S	.	.				-124.7	122.4	83.8	15.8	2.8	0	0	0	112.4	T272	P270-T272 PolarHBondContact O-N 3.33Å
271	L	38.7	Very low	54	Low	125 Å²	125	69.7 Å²	69.7	65%	0.654	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	6.5	-164.5	-79.2	153.7	0	0	0	118.7	N269 V275	N269-L271 WeakPolarHBondContact OD1-CD2 3.3Å; N269-L271 VanDerWaalsContact OD1-CG 3.27Å; N269-L271 WeakPolarHBondContact OD1-CG 3.4Å; L271-V275 WeakPolarHBondContact O-CG2 3.4Å
272	T	36.7	Very low	55.7	Low	103 Å²	103	69.4 Å²	69.4	63%	0.632	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.7	-46.6	-173	44.5	0	0	0	0	113.8	P270 V275 V276	P270-T272 PolarHBondContact O-N 3.33Å; T272-V275 PolarHBondContact O-N 2.8Å; T272-V276 PolarHBondContact O-N 2.89Å
273	L	41.5	Very low	57.3	Low	76 Å²	76	62.9 Å²	62.9	40%	0.398	36%	0.361	S	S	.	.	H	α-helix	trans	-76.3	-39.6	-172.8	-130.7	90.3	0	0	0	113.3	A118 V275 V276 T277 F582	A118-L273 HydrophobicContact CB-CD2 3.28Å; L273-V275 VanDerWaalsContact C-N 3.3Å; L273-V276 PolarHBondContact O-N 3.45Å; L273-T277 PolarHBondContact O-OG1 2.75Å; L273-T277 VanDerWaalsContact O-OG1 3.05Å; L273-F582 HydrophobicContact CD1-CE1 4.23Å
274	E	44	Very low	58.7	Low	38 Å²	38	58.4 Å²	58.4	18%	0.178	34%	0.337	C	S	.	.	H	α-helix	trans	-72.3	-27.1	175.4	-70.7	-167.4	-173.2	0	0	112.2	R151 V276 T277 Q278 R281	R151-E274 IonicContact CZ-OE1 2.75Å; R151-E274 IonicContact NH1-OE1 2.89Å; R151-E274 IonicContact NH2-OE1 2.78Å; R151-E274 PolarHBondContact NH2-OE1 2.82Å; E274-V276 VanDerWaalsContact C-N 3.3Å; E274-V276 PolarHBondContact O-N 3.45Å; E274-T277 PolarHBondContact O-N 2.75Å; E274-T277 VanDerWaalsContact O-N 3.13Å; E274-Q278 PolarHBondContact O-N 3.27Å; E274-R281 IonicContact OE2-NH2 2.69Å
275	V	36.8	Very low	60.4	Low	60 Å²	60	56.5 Å²	56.5	36%	0.364	33%	0.325	S	S	.	.	H	α-helix	trans	-63.1	-36.2	176.6	176.9	0	0	0	0	111.4	L271 T272 L273 T277 Q278	L271-V275 WeakPolarHBondContact O-CG2 3.4Å; T272-V275 PolarHBondContact O-N 2.8Å; L273-V275 VanDerWaalsContact C-N 3.3Å; V275-T277 VanDerWaalsContact C-N 3.27Å; V275-T277 PolarHBondContact O-N 3.36Å; V275-Q278 WeakPolarHBondContact O-CG 3.3Å; V275-Q278 PolarHBondContact O-NE2 2.95Å
276	V	46.6	Very low	62.1	Low	98 Å²	98	54.8 Å²	54.8	59%	0.594	32%	0.317	S	S	*	.	H	α-helix	trans	-69.9	-25.8	177.3	178.7	0	0	0	0	111.9	T272 L273 E274 F279	T272-V276 PolarHBondContact O-N 2.89Å; L273-V276 PolarHBondContact O-N 3.45Å; E274-V276 VanDerWaalsContact C-N 3.3Å; E274-V276 PolarHBondContact O-N 3.45Å; V276-F279 VanDerWaalsContact O-CE2 3.3Å; V276-F279 WeakPolarHBondContact O-CE2 3.49Å
277	T	62	Low	64.1	Low	25 Å²	25	51.7 Å²	51.7	15%	0.153	30%	0.295	C	S	.	.	H	α-helix	trans	-97.5	-0.6	-167.9	-37.5	0	0	0	0	113.8	D234 K236 L273 E274 V275 F279	D234-T277 WeakPolarHBondContact OD1-CG2 3.39Å; K236-T277 HydrophobicContact CD-CG2 3.27Å; L273-T277 PolarHBondContact O-OG1 2.75Å; L273-T277 VanDerWaalsContact O-OG1 3.05Å; E274-T277 PolarHBondContact O-N 2.75Å; E274-T277 VanDerWaalsContact O-N 3.13Å; V275-T277 VanDerWaalsContact C-N 3.27Å; V275-T277 PolarHBondContact O-N 3.36Å; T277-F279 VanDerWaalsContact C-N 3.3Å; T277-F279 PolarHBondContact O-N 3.16Å
278	Q	79.3	Confident	65.8	Low	8 Å²	8	49 Å²	49	4%	0.037	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-73.5	-13.6	-174	67.6	-172.2	-37.3	0	0	115.1	E274 V275 Y280 R281 S320 Q323	E274-Q278 PolarHBondContact O-N 3.27Å; V275-Q278 WeakPolarHBondContact O-CG 3.3Å; V275-Q278 PolarHBondContact O-NE2 2.95Å; Q278-Y280 PolarHBondContact O-N 3.34Å; Q278-R281 HydrophobicContact CB-CG 4.48Å; Q278-R281 VanDerWaalsContact O-CB 3.25Å; Q278-R281 WeakPolarHBondContact O-CB 3.39Å; Q278-R281 WeakPolarHBondContact O-CG 3.34Å; Q278-R281 PolarHBondContact O-N 2.78Å; Q278-S320 PolarHBondContact OE1-OG 3.23Å; Q278-Q323 PolarHBondContact O-NE2 3.43Å; Q278-Q323 PolarHBondContact O-OE1 3.26Å; Q278-Q323 VanDerWaalsContact O-OE1 3.12Å
279	F	93.5	Very high	67.7	Low	25 Å²	25	44.7 Å²	44.7	11%	0.11	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-60.2	-20.5	-170.3	-50.2	-29.5	0	0	0	114.8	V276 T277 I313 Q316 S317 Q323	V276-F279 VanDerWaalsContact O-CE2 3.3Å; V276-F279 WeakPolarHBondContact O-CE2 3.49Å; T277-F279 VanDerWaalsContact C-N 3.3Å; T277-F279 PolarHBondContact O-N 3.16Å; F279-I313 HydrophobicContact CB-CG2 3.74Å; F279-I313 HydrophobicContact CD2-CD1 4.02Å; F279-I313 HydrophobicContact CD2-CG2 3.74Å; F279-I313 HydrophobicContact CE2-CD1 4.24Å; F279-I313 HydrophobicContact CG-CG2 3.96Å; F279-Q316 HydrophobicContact CE2-CG 4.06Å; F279-Q316 HydrophobicContact CZ-CG 4.09Å; F279-S317 WeakPolarHBondContact CE1-O 3.25Å; F279-Q323 PolarHBondContact O-NE2 2.93Å
280	Y	95.7	Very high	69.5	Low	18 Å²	18	43.1 Å²	43.1	7%	0.071	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-101	1.7	179	-51.3	-84	0	0	0	113.1	L235 K236 P237 Q278 S300 C303 I304 E307	L235-Y280 VanDerWaalsContact O-CB 3.31Å; L235-Y280 WeakPolarHBondContact O-CB 3.34Å; K236-Y280 HydrophobicContact CB-CD2 3.45Å; K236-Y280 VanDerWaalsContact CB-CD2 3.45Å; K236-Y280 HydrophobicContact CB-CE2 3.54Å; K236-Y280 HydrophobicContact CB-CG 4.03Å; P237-Y280 VanDerWaalsContact CD-CE1 3.41Å; P237-Y280 VanDerWaalsContact CD-OH 3.23Å; P237-Y280 WeakPolarHBondContact CD-OH 3.45Å; P237-Y280 HydrophobicContact CG-CE1 4.05Å; Q278-Y280 PolarHBondContact O-N 3.34Å; Y280-S300 WeakPolarHBondContact O-CA 3.5Å; Y280-S300 WeakPolarHBondContact O-CB 3.31Å; Y280-S300 PolarHBondContact O-OG 3.47Å; Y280-C303 HydrophobicContact CD1-CB 3.7Å; Y280-C303 HydrophobicContact CE1-CB 4.35Å; Y280-I304 HydrophobicContact CD1-CG1 4.05Å; Y280-I304 HydrophobicContact CE1-CG1 4.14Å; Y280-E307 WeakPolarHBondContact CE1-OE2 3.39Å; Y280-E307 VanDerWaalsContact CZ-OE2 3.3Å; Y280-E307 PolarHBondContact OH-OE2 2.74Å
281	R	92.5	Very high	71.1	Confident	56 Å²	56	43 Å²	43	21%	0.211	24%	0.236	C	C	.	.			trans	-76.1	141.3	179	-68.1	-179.2	-178.8	175.2	-2.1	110.9	E274 Q278 L285 L286 W299 Q323	E274-R281 IonicContact OE2-NH2 2.69Å; Q278-R281 HydrophobicContact CB-CG 4.48Å; Q278-R281 VanDerWaalsContact O-CB 3.25Å; Q278-R281 WeakPolarHBondContact O-CB 3.39Å; Q278-R281 WeakPolarHBondContact O-CG 3.34Å; Q278-R281 PolarHBondContact O-N 2.78Å; R281-L285 HydrophobicContact CB-CB 4.38Å; R281-L286 HydrophobicContact CB-CD2 4.06Å; R281-L286 HydrophobicContact CB-CG 4.29Å; R281-W299 PolarHBondContact O-NE1 2.87Å; R281-W299 VanDerWaalsContact O-NE1 3.16Å; R281-Q323 PolarHBondContact O-NE2 3.35Å
282	P	92	Very high	73.1	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.006	21%	0.207	C	C	.	.			trans	-77.3	164.1	175.6	36.2	-40.8	0	0	0	112.7	E284 L285 L286 V296 W299	P282-E284 VanDerWaalsContact CB-CD 3.47Å; P282-E284 HydrophobicContact CB-CG 4.34Å; P282-E284 WeakPolarHBondContact CB-OE1 3.43Å; P282-E284 WeakPolarHBondContact CB-OE2 3.46Å; P282-E284 HydrophobicContact CG-CG 3.94Å; P282-E284 WeakPolarHBondContact CG-OE1 2.83Å; P282-E284 PolarHBondContact O-N 3.49Å; P282-L285 HydrophobicContact CG-CB 4.18Å; P282-L285 HydrophobicContact CG-CD1 4.2Å; P282-L285 HydrophobicContact CG-CG 3.89Å; P282-L285 PolarHBondContact O-N 3.34Å; P282-L285 VanDerWaalsContact O-N 3.08Å; P282-L286 WeakPolarHBondContact O-CG 3.39Å; P282-L286 PolarHBondContact O-N 3.28Å; P282-L286 VanDerWaalsContact O-N 3.15Å; P282-V296 HydrophobicContact CG-CB 3.85Å; P282-V296 HydrophobicContact CG-CG1 3.84Å; P282-W299 VanDerWaalsContact CA-CD1 3.47Å; P282-W299 HydrophobicContact CB-CB 3.64Å; P282-W299 HydrophobicContact CB-CD2 3.8Å; P282-W299 HydrophobicContact CB-CE3 4.3Å; P282-W299 HydrophobicContact CB-CG 3.47Å; P282-W299 VanDerWaalsContact CB-CG 3.47Å; P282-W299 HydrophobicContact CG-CB 4.5Å
283	P	90.3	Very high	75.5	Confident	3 Å²	3	34.3 Å²	34.3	2%	0.019	19%	0.188	C	C	.	.	H	α-helix	trans	-51.7	-41	178.6	-26.9	34.9	0	0	0	113.3	L285 L286 L287 W299 L324 I327 F400	P283-L285 VanDerWaalsContact C-N 3.31Å; P283-L285 PolarHBondContact O-N 2.85Å; P283-L286 PolarHBondContact O-N 3.25Å; P283-L286 VanDerWaalsContact O-N 3.16Å; P283-L287 HydrophobicContact CB-CD1 4.35Å; P283-L287 VanDerWaalsContact O-CB 3.29Å; P283-L287 WeakPolarHBondContact O-CB 3.31Å; P283-L287 WeakPolarHBondContact O-CD1 3.39Å; P283-L287 VanDerWaalsContact O-CG 3.27Å; P283-L287 WeakPolarHBondContact O-CG 3.39Å; P283-L287 PolarHBondContact O-N 3.21Å; P283-W299 HydrophobicContact CG-CE3 4.45Å; P283-W299 HydrophobicContact CG-CH2 3.63Å; P283-W299 HydrophobicContact CG-CZ2 4.09Å; P283-W299 HydrophobicContact CG-CZ3 3.83Å; P283-L324 HydrophobicContact CB-CD2 4.06Å; P283-I327 HydrophobicContact CG-CD1 4.29Å; P283-I327 HydrophobicContact CG-CG2 4.34Å; P283-F400 HydrophobicContact CB-CD1 4.46Å; P283-F400 HydrophobicContact CG-CD1 3.92Å; P283-F400 HydrophobicContact CG-CE1 4.09Å
284	E	85.5	Confident	77.9	Confident	5 Å²	5	31.8 Å²	31.8	2%	0.023	18%	0.178	C	C	.	.	H	α-helix	trans	-61.4	-35.6	-179.7	61.5	-90.9	-159.1	0	0	114	P282 G288 S289 V296 F345 R405	P282-E284 VanDerWaalsContact CB-CD 3.47Å; P282-E284 HydrophobicContact CB-CG 4.34Å; P282-E284 WeakPolarHBondContact CB-OE1 3.43Å; P282-E284 WeakPolarHBondContact CB-OE2 3.46Å; P282-E284 HydrophobicContact CG-CG 3.94Å; P282-E284 WeakPolarHBondContact CG-OE1 2.83Å; P282-E284 PolarHBondContact O-N 3.49Å; E284-G288 PolarHBondContact O-N 2.98Å; E284-S289 VanDerWaalsContact O-CB 3.24Å; E284-S289 WeakPolarHBondContact O-CB 3.14Å; E284-S289 PolarHBondContact O-N 3.06Å; E284-V296 HydrophobicContact CG-CG1 4.34Å; E284-F345 HydrophobicContact CB-CE1 4.14Å; E284-F345 HydrophobicContact CB-CE2 4Å; E284-F345 HydrophobicContact CB-CZ 3.32Å; E284-R405 IonicContact OE1-CZ 3.88Å; E284-R405 IonicContact OE1-NH1 2.71Å; E284-R405 PolarHBondContact OE1-NH1 2.79Å; E284-R405 IonicContact OE1-NH2 2.66Å; E284-R405 PolarHBondContact OE1-NH2 3.36Å; E284-R405 IonicContact OE2-CZ 2.74Å; E284-R405 IonicContact OE2-NH1 3.19Å; E284-R405 IonicContact OE2-NH2 3.45Å; E284-R405 PolarHBondContact OE2-NH2 2.88Å
285	L	85	Confident	80.2	Confident	30 Å²	30	30.4 Å²	30.4	16%	0.157	17%	0.173	C	C	.	.	H	α-helix	trans	-78	-34.2	175.8	-69.1	-169.8	0	0	0	111.5	R281 P282 P283 L287 G288 Y292 V296	R281-L285 HydrophobicContact CB-CB 4.38Å; P282-L285 HydrophobicContact CG-CB 4.18Å; P282-L285 HydrophobicContact CG-CD1 4.2Å; P282-L285 HydrophobicContact CG-CG 3.89Å; P282-L285 PolarHBondContact O-N 3.34Å; P282-L285 VanDerWaalsContact O-N 3.08Å; P283-L285 VanDerWaalsContact C-N 3.31Å; P283-L285 PolarHBondContact O-N 2.85Å; L285-L287 VanDerWaalsContact C-N 3.29Å; L285-L287 PolarHBondContact O-N 3.19Å; L285-G288 PolarHBondContact O-N 2.63Å; L285-Y292 HydrophobicContact CD2-CD1 3.84Å; L285-Y292 HydrophobicContact CD2-CG 3.94Å; L285-V296 HydrophobicContact CD1-CB 4.31Å; L285-V296 HydrophobicContact CD1-CG1 4.21Å; L285-V296 HydrophobicContact CD2-CG1 4.5Å; L285-V296 HydrophobicContact CG-CG1 4.15Å
286	L	87.3	Confident	82.9	Confident	18 Å²	18	27.7 Å²	27.7	9%	0.094	16%	0.156	C	C	.	.	H	α-helix	trans	-67.7	-32	176.7	-63.7	173	0	0	0	112.3	R281 P282 P283 G288 Q323 L324 I327	R281-L286 HydrophobicContact CB-CD2 4.06Å; R281-L286 HydrophobicContact CB-CG 4.29Å; P282-L286 WeakPolarHBondContact O-CG 3.39Å; P282-L286 PolarHBondContact O-N 3.28Å; P282-L286 VanDerWaalsContact O-N 3.15Å; P283-L286 PolarHBondContact O-N 3.25Å; P283-L286 VanDerWaalsContact O-N 3.16Å; L286-G288 VanDerWaalsContact C-N 3.33Å; L286-Q323 HydrophobicContact CD1-CB 3.96Å; L286-Q323 HydrophobicContact CD1-CG 3.89Å; L286-L324 HydrophobicContact CB-CD1 4.32Å; L286-L324 HydrophobicContact CB-CD2 4.13Å; L286-L324 HydrophobicContact CB-CG 4.12Å; L286-L324 HydrophobicContact CD1-CD2 4.08Å; L286-L324 HydrophobicContact CD1-CG 4.14Å; L286-I327 HydrophobicContact CD1-CD1 3.82Å
287	L	84.7	Confident	85.3	Confident	11 Å²	11	23 Å²	23	6%	0.058	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	1.3	178.5	-69.9	162.7	0	0	0	113.1	P283 L285 L324 F345 S349 F352 I353	P283-L287 HydrophobicContact CB-CD1 4.35Å; P283-L287 VanDerWaalsContact O-CB 3.29Å; P283-L287 WeakPolarHBondContact O-CB 3.31Å; P283-L287 WeakPolarHBondContact O-CD1 3.39Å; P283-L287 VanDerWaalsContact O-CG 3.27Å; P283-L287 WeakPolarHBondContact O-CG 3.39Å; P283-L287 PolarHBondContact O-N 3.21Å; L285-L287 VanDerWaalsContact C-N 3.29Å; L285-L287 PolarHBondContact O-N 3.19Å; L287-L324 HydrophobicContact CD1-CD2 4.21Å; L287-L324 HydrophobicContact CD2-CD1 3.62Å; L287-L324 HydrophobicContact CG-CD1 3.92Å; L287-L324 HydrophobicContact CG-CD2 4.12Å; L287-F345 HydrophobicContact CB-CD1 3.58Å; L287-F345 HydrophobicContact CB-CE1 3.52Å; L287-F345 HydrophobicContact CD1-CD1 4.04Å; L287-F345 HydrophobicContact CD1-CE1 3.56Å; L287-F345 HydrophobicContact CG-CD1 4.41Å; L287-F345 HydrophobicContact CG-CE1 4.17Å; L287-S349 PolarHBondContact O-OG 2.99Å; L287-F352 HydrophobicContact CD2-CD1 4.02Å; L287-I353 HydrophobicContact CD1-CD1 3.69Å; L287-I353 HydrophobicContact CD1-CG1 4.34Å; L287-I353 HydrophobicContact CD2-CD1 4.39Å; L287-I353 HydrophobicContact CD2-CG1 4.31Å
288	G	78.5	Confident	87	Confident	37 Å²	37	21.9 Å²	21.9	38%	0.381	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	34	174.6	0	0	0	0	0	114.4	E284 L285 L286 N290 P346	E284-G288 PolarHBondContact O-N 2.98Å; L285-G288 PolarHBondContact O-N 2.63Å; L286-G288 VanDerWaalsContact C-N 3.33Å; G288-N290 PolarHBondContact O-N 3.17Å; G288-N290 PolarHBondContact O-OD1 3.23Å; G288-P346 WeakPolarHBondContact O-CD 3.41Å
289	S	77.5	Confident	87.8	Confident	8 Å²	8	21.5 Å²	21.5	6%	0.056	12%	0.119	C	C	.	.			trans	-60.5	134.5	170.6	-177.6	0	0	0	0	110.9	E284 F291	E284-S289 VanDerWaalsContact O-CB 3.24Å; E284-S289 WeakPolarHBondContact O-CB 3.14Å; E284-S289 PolarHBondContact O-N 3.06Å; S289-F291 VanDerWaalsContact C-N 3.27Å; S289-F291 PolarHBondContact OG-N 2.81Å; S289-F291 PolarHBondContact OG-O 3.39Å
290	N	71.5	Confident	88.1	Confident	78 Å²	78	20.6 Å²	20.6	42%	0.417	12%	0.116	S	C	.	.	S	Bend	trans	-81.9	-11.8	174.7	-61.4	-16.2	0	0	0	112.4	V264 G288	V264-N290 HydrophobicContact CG2-CB 3.72Å; V264-N290 WeakPolarHBondContact CG2-OD1 3.49Å; G288-N290 PolarHBondContact O-N 3.17Å; G288-N290 PolarHBondContact O-OD1 3.23Å
291	F	73.7	Confident	88.2	Confident	79 Å²	79	19.7 Å²	19.7	35%	0.346	11%	0.112	S	C	.	.			trans	-115.7	121.8	178.9	-177.7	-100.5	0	0	0	109.7	P260 F262 S289 T293	P260-F291 HydrophobicContact CB-CE2 4.45Å; F262-F291 HydrophobicContact CD1-CD2 4.11Å; F262-F291 AromaticContact CE1-CD2 3.74Å; F262-F291 HydrophobicContact CE1-CD2 3.74Å; F262-F291 HydrophobicContact CE1-CE2 4.02Å; F262-F291 HydrophobicContact CZ-CD2 4.35Å; F262-F291 HydrophobicContact CZ-CE2 4.19Å; S289-F291 VanDerWaalsContact C-N 3.27Å; S289-F291 PolarHBondContact OG-N 2.81Å; S289-F291 PolarHBondContact OG-O 3.39Å; F291-T293 HydrophobicContact CE1-CG2 3.81Å; F291-T293 HydrophobicContact CZ-CG2 3.93Å
292	Y	79.8	Confident	88.5	Confident	10 Å²	10	17 Å²	17	4%	0.039	10%	0.102	C	C	.	.	B	Isolated β-bridge	trans	-145.7	151.5	176.2	52.9	-91.6	0	0	0	110.9	I231 R233 S261 D263 L285	I231-Y292 HydrophobicContact CD1-CD2 4.1Å; I231-Y292 HydrophobicContact CD1-CE2 4.37Å; R233-Y292 HydrophobicContact CG-CE2 4.44Å; R233-Y292 PolarHBondContact NH1-OH 2.76Å; S261-Y292 WeakPolarHBondContact OG-CD2 3.31Å; S261-Y292 WeakPolarHBondContact OG-CE2 3.22Å; D263-Y292 PolarHBondContact O-OH 3.02Å; L285-Y292 HydrophobicContact CD2-CD1 3.84Å; L285-Y292 HydrophobicContact CD2-CG 3.94Å
293	T	87.4	Confident	88.8	Confident	37 Å²	37	17.1 Å²	17.1	23%	0.227	10%	0.103	C	C	.	.			trans	-122.7	-177.4	-174.5	69.1	0	0	0	0	110.5	F291 A295 V296	F291-T293 HydrophobicContact CE1-CG2 3.81Å; F291-T293 HydrophobicContact CZ-CG2 3.93Å; T293-A295 PolarHBondContact O-N 3.14Å; T293-A295 VanDerWaalsContact OG1-CB 3.31Å; T293-A295 WeakPolarHBondContact OG1-CB 3.42Å; T293-A295 PolarHBondContact OG1-N 2.7Å; T293-V296 WeakPolarHBondContact O-CG2 3.19Å; T293-V296 PolarHBondContact O-N 2.95Å; T293-V296 VanDerWaalsContact O-N 3.14Å
294	A	92.1	Very high	89.2	Confident	23 Å²	23	17 Å²	17	19%	0.19	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-18.6	170.6	0	0	0	0	0	114.2	H226 V296 D297	H226-A294 HydrophobicContact CB-CB 4.17Å; H226-A294 PolarHBondContact CE1-O 2.83Å; A294-V296 PolarHBondContact O-N 2.74Å; A294-D297 PolarHBondContact O-N 3.24Å
295	A	93	Very high	89.7	Confident	9 Å²	9	16.7 Å²	16.7	7%	0.074	10%	0.101	C	C	.	.	H	α-helix	trans	-59.4	-23.3	175.7	0	0	0	0	0	113.4	T293 D297 Q298 W299 S402 R405	T293-A295 PolarHBondContact O-N 3.14Å; T293-A295 VanDerWaalsContact OG1-CB 3.31Å; T293-A295 WeakPolarHBondContact OG1-CB 3.42Å; T293-A295 PolarHBondContact OG1-N 2.7Å; A295-D297 VanDerWaalsContact C-N 3.31Å; A295-D297 PolarHBondContact O-N 2.91Å; A295-Q298 WeakPolarHBondContact O-CB 3.47Å; A295-Q298 PolarHBondContact O-N 3.33Å; A295-W299 PolarHBondContact O-N 3.4Å; A295-S402 WeakPolarHBondContact CB-O 3.41Å; A295-R405 VanDerWaalsContact C-NH1 3.33Å; A295-R405 HydrophobicContact CB-CB 4.5Å; A295-R405 VanDerWaalsContact O-CD 3.27Å; A295-R405 WeakPolarHBondContact O-CD 3.31Å; A295-R405 PolarHBondContact O-NH1 3.21Å
296	V	92.6	Very high	90.3	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.012	9%	0.093	C	C	.	.	H	α-helix	trans	-63.4	-38.4	178	-56.6	0	0	0	0	112.1	I231 R233 P282 E284 L285 T293 A294 Q298 W299 S300	I231-V296 HydrophobicContact CG2-CG2 3.33Å; R233-V296 HydrophobicContact CG-CG2 4.26Å; P282-V296 HydrophobicContact CG-CB 3.85Å; P282-V296 HydrophobicContact CG-CG1 3.84Å; E284-V296 HydrophobicContact CG-CG1 4.34Å; L285-V296 HydrophobicContact CD1-CB 4.31Å; L285-V296 HydrophobicContact CD1-CG1 4.21Å; L285-V296 HydrophobicContact CD2-CG1 4.5Å; L285-V296 HydrophobicContact CG-CG1 4.15Å; T293-V296 WeakPolarHBondContact O-CG2 3.19Å; T293-V296 PolarHBondContact O-N 2.95Å; T293-V296 VanDerWaalsContact O-N 3.14Å; A294-V296 PolarHBondContact O-N 2.74Å; V296-Q298 VanDerWaalsContact C-N 3.3Å; V296-Q298 PolarHBondContact O-N 2.94Å; V296-W299 PolarHBondContact O-N 3.32Å; V296-S300 PolarHBondContact O-N 3.49Å; V296-S300 PolarHBondContact O-OG 3.07Å
297	D	96.5	Very high	90.7	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-70.1	-32.8	178.2	-64.1	-28.9	0	0	0	110.7	L222 H226 I231 H232 R233 A294 A295 W299 S300 V301	L222-D297 HydrophobicContact CD1-CB 4.12Å; L222-D297 HydrophobicContact CD2-CB 3.97Å; H226-D297 IonicContact CD2-OD2 3.77Å; H226-D297 IonicContact CE1-OD2 3.75Å; H226-D297 IonicContact NE2-OD2 2.67Å; H226-D297 PolarHBondContact NE2-OD2 3.2Å; I231-D297 WeakPolarHBondContact CG2-OD2 3.41Å; H232-D297 PolarHBondContact N-OD1 3.27Å; H232-D297 PolarHBondContact N-OD2 3.33Å; R233-D297 PolarHBondContact N-OD1 3.24Å; A294-D297 PolarHBondContact O-N 3.24Å; A295-D297 VanDerWaalsContact C-N 3.31Å; A295-D297 PolarHBondContact O-N 2.91Å; D297-W299 VanDerWaalsContact C-N 3.34Å; D297-W299 PolarHBondContact O-N 3.44Å; D297-S300 WeakPolarHBondContact O-CB 3.37Å; D297-S300 PolarHBondContact O-N 2.81Å; D297-S300 VanDerWaalsContact O-N 3.15Å; D297-V301 WeakPolarHBondContact O-CG2 3.48Å; D297-V301 PolarHBondContact O-N 3.16Å
298	Q	98.1	Very high	91.1	Very high	2 Å²	2	14.2 Å²	14.2	1%	0.009	9%	0.087	C	C	.	.	H	α-helix	trans	-66.1	-37.7	179.3	-57	-59.7	-31.9	0	0	111.7	H226 A295 V296 S300 V301 G302 L397 R405 L406	H226-Q298 PolarHBondContact CE1-NE2 3.13Å; H226-Q298 PolarHBondContact ND1-NE2 2.89Å; A295-Q298 WeakPolarHBondContact O-CB 3.47Å; A295-Q298 PolarHBondContact O-N 3.33Å; V296-Q298 VanDerWaalsContact C-N 3.3Å; V296-Q298 PolarHBondContact O-N 2.94Å; Q298-S300 VanDerWaalsContact C-N 3.35Å; Q298-V301 WeakPolarHBondContact O-CB 3.12Å; Q298-V301 PolarHBondContact O-N 3.42Å; Q298-G302 PolarHBondContact O-N 2.91Å; Q298-L397 HydrophobicContact CB-CD2 4.15Å; Q298-R405 HydrophobicContact CB-CG 4.28Å; Q298-L406 WeakPolarHBondContact CB-O 3.44Å; Q298-L406 WeakPolarHBondContact CG-O 3.3Å
299	W	97.6	Very high	91.8	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-60.4	-46.3	170.2	178.5	-80.7	0	0	0	111.6	R281 P282 P283 A295 V296 D297 V301 G302 C303 F315 I327 L331 L397 L398	R281-W299 PolarHBondContact O-NE1 2.87Å; R281-W299 VanDerWaalsContact O-NE1 3.16Å; P282-W299 VanDerWaalsContact CA-CD1 3.47Å; P282-W299 HydrophobicContact CB-CB 3.64Å; P282-W299 HydrophobicContact CB-CD2 3.8Å; P282-W299 HydrophobicContact CB-CE3 4.3Å; P282-W299 HydrophobicContact CB-CG 3.47Å; P282-W299 VanDerWaalsContact CB-CG 3.47Å; P282-W299 HydrophobicContact CG-CB 4.5Å; P283-W299 HydrophobicContact CG-CE3 4.45Å; P283-W299 HydrophobicContact CG-CH2 3.63Å; P283-W299 HydrophobicContact CG-CZ2 4.09Å; P283-W299 HydrophobicContact CG-CZ3 3.83Å; A295-W299 PolarHBondContact O-N 3.4Å; V296-W299 PolarHBondContact O-N 3.32Å; D297-W299 VanDerWaalsContact C-N 3.34Å; D297-W299 PolarHBondContact O-N 3.44Å; W299-V301 VanDerWaalsContact C-N 3.25Å; W299-V301 PolarHBondContact O-N 3.03Å; W299-G302 WeakPolarHBondContact O-CA 3.31Å; W299-G302 PolarHBondContact O-N 2.88Å; W299-C303 PolarHBondContact NE1-SG 3.21Å; W299-C303 VanDerWaalsContact NE1-SG 3.43Å; W299-C303 PolarHBondContact O-N 3.49Å; W299-F315 AromaticContact CZ2-CE2 3.92Å; W299-F315 HydrophobicContact CZ2-CE2 3.92Å; W299-F315 HydrophobicContact CZ2-CZ 4.4Å; W299-I327 HydrophobicContact CH2-CD1 4.26Å; W299-I327 HydrophobicContact CH2-CG1 4.36Å; W299-I327 HydrophobicContact CH2-CG2 3.69Å; W299-I327 HydrophobicContact CZ2-CD1 3.62Å; W299-I327 HydrophobicContact CZ2-CG1 3.86Å; W299-I327 HydrophobicContact CZ2-CG2 4.07Å; W299-L331 HydrophobicContact CH2-CD1 3.73Å; W299-L331 HydrophobicContact CZ3-CD1 4.2Å; W299-L397 WeakPolarHBondContact CA-O 3.36Å; W299-L398 HydrophobicContact CD2-CD2 3.78Å; W299-L398 HydrophobicContact CE3-CD2 4.02Å; W299-L398 HydrophobicContact CG-CD2 4.19Å; W299-L398 HydrophobicContact CH2-CD2 4.37Å; W299-L398 HydrophobicContact CZ2-CD2 4.14Å; W299-L398 HydrophobicContact CZ3-CB 4.29Å; W299-L398 HydrophobicContact CZ3-CD2 4.32Å; W299-L398 WeakPolarHBondContact CZ3-O 3.2Å
300	S	98	Very high	92.5	Very high	5 Å²	5	13.5 Å²	13.5	4%	0.035	8%	0.076	C	C	.	.	H	α-helix	trans	-58.6	-38.5	177.1	-53.3	0	0	0	0	111.7	L235 Y280 V296 D297 Q298 C303 I304	L235-S300 WeakPolarHBondContact O-CB 3.46Å; Y280-S300 WeakPolarHBondContact O-CA 3.5Å; Y280-S300 WeakPolarHBondContact O-CB 3.31Å; Y280-S300 PolarHBondContact O-OG 3.47Å; V296-S300 PolarHBondContact O-N 3.49Å; V296-S300 PolarHBondContact O-OG 3.07Å; D297-S300 WeakPolarHBondContact O-CB 3.37Å; D297-S300 PolarHBondContact O-N 2.81Å; D297-S300 VanDerWaalsContact O-N 3.15Å; Q298-S300 VanDerWaalsContact C-N 3.35Å; S300-C303 WeakPolarHBondContact O-CB 3.46Å; S300-C303 PolarHBondContact O-N 3.31Å; S300-I304 WeakPolarHBondContact O-CD1 3.5Å; S300-I304 VanDerWaalsContact O-CG1 3.25Å; S300-I304 WeakPolarHBondContact O-CG1 3.44Å; S300-I304 PolarHBondContact O-N 2.78Å
301	V	98.7	Very high	93.4	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-61.5	-41.9	171.9	-178.2	0	0	0	0	111.6	V215 I218 L219 L222 L235 D297 Q298 W299 C303 I304 L305 L397	V215-V301 HydrophobicContact CG1-CG1 4.38Å; I218-V301 HydrophobicContact CG2-CG2 3.71Å; L219-V301 HydrophobicContact CD2-CG1 4.11Å; L219-V301 HydrophobicContact CD2-CG2 4.39Å; L219-V301 HydrophobicContact CG-CG1 4.39Å; L222-V301 HydrophobicContact CD1-CG2 3.37Å; L235-V301 HydrophobicContact CD2-CG2 3.55Å; D297-V301 WeakPolarHBondContact O-CG2 3.48Å; D297-V301 PolarHBondContact O-N 3.16Å; Q298-V301 WeakPolarHBondContact O-CB 3.12Å; Q298-V301 PolarHBondContact O-N 3.42Å; W299-V301 VanDerWaalsContact C-N 3.25Å; W299-V301 PolarHBondContact O-N 3.03Å; V301-C303 VanDerWaalsContact C-N 3.34Å; V301-C303 PolarHBondContact O-N 3.19Å; V301-I304 PolarHBondContact O-N 3.43Å; V301-L305 WeakPolarHBondContact O-CB 3.32Å; V301-L305 PolarHBondContact O-N 3.37Å; V301-L397 HydrophobicContact CB-CD1 4.43Å; V301-L397 HydrophobicContact CB-CD2 4.46Å; V301-L397 HydrophobicContact CG1-CD1 3.96Å
302	G	98.5	Very high	94.2	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-57.5	-45.3	174.5	0	0	0	0	0	112.5	Q298 W299 L305 G306 F394	Q298-G302 PolarHBondContact O-N 2.91Å; W299-G302 WeakPolarHBondContact O-CA 3.31Å; W299-G302 PolarHBondContact O-N 2.88Å; G302-L305 PolarHBondContact O-N 2.96Å; G302-G306 PolarHBondContact O-N 3.26Å; G302-F394 WeakPolarHBondContact O-CE2 3.38Å
303	C	98.2	Very high	94.9	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.014	9%	0.088	C	C	.	.	H	α-helix	trans	-60.4	-46.6	173.4	-65.4	0	0	0	0	112.1	Y280 W299 S300 V301 G306 E307 F315	Y280-C303 HydrophobicContact CD1-CB 3.7Å; Y280-C303 HydrophobicContact CE1-CB 4.35Å; W299-C303 PolarHBondContact NE1-SG 3.21Å; W299-C303 VanDerWaalsContact NE1-SG 3.43Å; W299-C303 PolarHBondContact O-N 3.49Å; S300-C303 WeakPolarHBondContact O-CB 3.46Å; S300-C303 PolarHBondContact O-N 3.31Å; V301-C303 VanDerWaalsContact C-N 3.34Å; V301-C303 PolarHBondContact O-N 3.19Å; C303-G306 PolarHBondContact O-N 3.1Å; C303-E307 WeakPolarHBondContact O-CB 3.48Å; C303-E307 PolarHBondContact O-N 3.14Å; C303-F315 VanDerWaalsContact SG-CD2 3.58Å
304	I	98	Very high	95.3	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-63.5	-40.7	179.2	-68.7	157.6	0	0	0	111.2	L196 I218 L235 P237 L240 Y280 S300 V301 E307 L308	L196-I304 HydrophobicContact CD2-CG2 3.96Å; I218-I304 HydrophobicContact CD1-CG2 4.1Å; L235-I304 HydrophobicContact CD2-CD1 3.92Å; L235-I304 HydrophobicContact CG-CD1 3.9Å; P237-I304 HydrophobicContact CG-CG1 4.08Å; L240-I304 HydrophobicContact CD1-CD1 3.88Å; L240-I304 HydrophobicContact CD1-CG2 4.18Å; Y280-I304 HydrophobicContact CD1-CG1 4.05Å; Y280-I304 HydrophobicContact CE1-CG1 4.14Å; S300-I304 WeakPolarHBondContact O-CD1 3.5Å; S300-I304 VanDerWaalsContact O-CG1 3.25Å; S300-I304 WeakPolarHBondContact O-CG1 3.44Å; S300-I304 PolarHBondContact O-N 2.78Å; V301-I304 PolarHBondContact O-N 3.43Å; I304-E307 PolarHBondContact O-N 3.03Å; I304-L308 HydrophobicContact CG2-CD1 3.96Å; I304-L308 HydrophobicContact CG2-CG 4.32Å; I304-L308 WeakPolarHBondContact O-CB 3.33Å; I304-L308 VanDerWaalsContact O-CG 3.27Å; I304-L308 WeakPolarHBondContact O-CG 3.3Å; I304-L308 PolarHBondContact O-N 3.08Å
305	L	98	Very high	95.4	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-60.7	-47.4	175.7	168.6	61.4	0	0	0	110.9	V211 V215 V301 G302 L308 L309 L390 L393 F394 L397	V211-L305 HydrophobicContact CG1-CD1 3.78Å; V215-L305 HydrophobicContact CG2-CB 4.28Å; V215-L305 HydrophobicContact CG2-CD1 3.87Å; V301-L305 WeakPolarHBondContact O-CB 3.32Å; V301-L305 PolarHBondContact O-N 3.37Å; G302-L305 PolarHBondContact O-N 2.96Å; L305-L308 PolarHBondContact O-N 3.12Å; L305-L309 HydrophobicContact CD1-CD1 3.9Å; L305-L309 HydrophobicContact CD1-CG 4.45Å; L305-L309 HydrophobicContact CG-CD1 4.27Å; L305-L309 WeakPolarHBondContact O-CD1 3.26Å; L305-L309 WeakPolarHBondContact O-CG 3.41Å; L305-L309 PolarHBondContact O-N 3.09Å; L305-L390 HydrophobicContact CD1-CD1 3.93Å; L305-L390 HydrophobicContact CD2-CD1 4.02Å; L305-L390 HydrophobicContact CG-CD1 4.32Å; L305-L393 HydrophobicContact CD2-CD2 4.18Å; L305-L393 HydrophobicContact CD2-CG 4.17Å; L305-F394 HydrophobicContact CD2-CB 4.11Å; L305-F394 HydrophobicContact CD2-CD2 4.14Å; L305-F394 HydrophobicContact CG-CD2 4.26Å; L305-L397 HydrophobicContact CD2-CD1 4.25Å
306	G	96.2	Very high	95.4	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-58.9	-47	174.5	0	0	0	0	0	112	G302 C303 L308 L309 C310	G302-G306 PolarHBondContact O-N 3.26Å; C303-G306 PolarHBondContact O-N 3.1Å; G306-L308 PolarHBondContact O-N 3.1Å; G306-L309 PolarHBondContact O-N 3.46Å; G306-L309 VanDerWaalsContact O-N 3.1Å; G306-C310 PolarHBondContact O-N 2.82Å; G306-C310 PolarHBondContact O-SG 2.71Å
307	E	95.5	Very high	95.2	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.009	10%	0.102	C	C	.	.	H	α-helix	trans	-64	-36.5	179.6	-172.9	178.5	155.1	0	0	112.7	I200 Y280 C303 I304 L309 R311 Q312	I200-E307 HydrophobicContact CD1-CG 4.02Å; I200-E307 HydrophobicContact CG2-CG 3.96Å; Y280-E307 WeakPolarHBondContact CE1-OE2 3.39Å; Y280-E307 VanDerWaalsContact CZ-OE2 3.3Å; Y280-E307 PolarHBondContact OH-OE2 2.74Å; C303-E307 WeakPolarHBondContact O-CB 3.48Å; C303-E307 PolarHBondContact O-N 3.14Å; I304-E307 PolarHBondContact O-N 3.03Å; E307-L309 PolarHBondContact O-N 3.18Å; E307-R311 WeakPolarHBondContact O-CA 3.48Å; E307-R311 PolarHBondContact O-N 3.06Å; E307-Q312 WeakPolarHBondContact CA-O 3.12Å; E307-Q312 WeakPolarHBondContact CG-O 3.18Å
308	L	94	Very high	94.7	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.021	13%	0.134	C	C	.	.	H	α-helix	trans	-63.6	-31	174.2	-76.6	166.3	0	0	0	112.6	L196 I200 L206 V211 F214 V215 I304 L305 G306	L196-L308 HydrophobicContact CD1-CD2 3.85Å; L196-L308 HydrophobicContact CD2-CD1 4.24Å; L196-L308 HydrophobicContact CD2-CD2 3.99Å; L196-L308 HydrophobicContact CD2-CG 4.39Å; L196-L308 HydrophobicContact CG-CD2 3.99Å; I200-L308 HydrophobicContact CD1-CD2 3.9Å; I200-L308 HydrophobicContact CD1-CG 4.28Å; I200-L308 HydrophobicContact CG1-CD2 3.78Å; L206-L308 HydrophobicContact CD2-CB 4.34Å; L206-L308 HydrophobicContact CD2-CD2 3.69Å; L206-L308 WeakPolarHBondContact CD2-O 3.47Å; V211-L308 HydrophobicContact CG1-CB 4.05Å; V211-L308 HydrophobicContact CG1-CD1 4.34Å; V211-L308 HydrophobicContact CG2-CB 4.15Å; F214-L308 HydrophobicContact CB-CD1 4.42Å; F214-L308 HydrophobicContact CD2-CD2 4.5Å; V215-L308 HydrophobicContact CG2-CD1 3.98Å; I304-L308 HydrophobicContact CG2-CD1 3.96Å; I304-L308 HydrophobicContact CG2-CG 4.32Å; I304-L308 WeakPolarHBondContact O-CB 3.33Å; I304-L308 VanDerWaalsContact O-CG 3.27Å; I304-L308 WeakPolarHBondContact O-CG 3.3Å; I304-L308 PolarHBondContact O-N 3.08Å; L305-L308 PolarHBondContact O-N 3.12Å; G306-L308 PolarHBondContact O-N 3.1Å
309	L	92.4	Very high	94.2	Very high	5 Å²	5	27.5 Å²	27.5	3%	0.026	15%	0.149	C	C	.	.	H	α-helix	trans	-84	-45.5	-177.3	-68.8	164.3	0	0	0	112.4	L208 V211 L305 G306 E307 I369 L370 P372 A373 L390	L208-L309 HydrophobicContact CD1-CD2 3.74Å; V211-L309 HydrophobicContact CG1-CD2 4.15Å; V211-L309 HydrophobicContact CG1-CG 4.3Å; V211-L309 HydrophobicContact CG2-CD2 4.3Å; L305-L309 HydrophobicContact CD1-CD1 3.9Å; L305-L309 HydrophobicContact CD1-CG 4.45Å; L305-L309 HydrophobicContact CG-CD1 4.27Å; L305-L309 WeakPolarHBondContact O-CD1 3.26Å; L305-L309 WeakPolarHBondContact O-CG 3.41Å; L305-L309 PolarHBondContact O-N 3.09Å; G306-L309 PolarHBondContact O-N 3.46Å; G306-L309 VanDerWaalsContact O-N 3.1Å; E307-L309 PolarHBondContact O-N 3.18Å; L309-I369 WeakPolarHBondContact CB-O 3.32Å; L309-L370 HydrophobicContact CD1-CD2 3.5Å; L309-L370 VanDerWaalsContact CD1-CD2 3.5Å; L309-P372 HydrophobicContact CD2-CG 4.26Å; L309-A373 PolarHBondContact O-N 3.39Å; L309-A373 VanDerWaalsContact O-N 3.12Å; L309-L390 HydrophobicContact CD1-CD1 3.97Å; L309-L390 HydrophobicContact CD1-CD2 3.9Å; L309-L390 HydrophobicContact CD1-CG 4.43Å; L309-L390 HydrophobicContact CD2-CD2 4.39Å
310	C	91.8	Very high	93.6	Very high	26 Å²	26	29.6 Å²	29.6	18%	0.176	16%	0.163	C	C	.	.	H	α-helix	trans	-98.1	-8.4	-176.5	72.1	0	0	0	0	114.3	G306 Q312	G306-C310 PolarHBondContact O-N 2.82Å; G306-C310 PolarHBondContact O-SG 2.71Å; C310-Q312 PolarHBondContact O-N 2.9Å; C310-Q312 PolarHBondContact SG-O 2.9Å
311	R	91.1	Very high	93.1	Very high	49 Å²	49	34.3 Å²	34.3	19%	0.185	18%	0.183	C	C	.	.	S	Bend	trans	57.9	22.3	-175.8	-62.2	-177.8	171.1	-107.4	0.4	115.2	I199 I200 S202 Q204 L206 E307	I199-R311 PolarHBondContact O-NH1 2.64Å; I200-R311 HydrophobicContact CG2-CB 4.32Å; I200-R311 PolarHBondContact O-NH1 2.74Å; S202-R311 PolarHBondContact O-NH1 2.82Å; Q204-R311 PolarHBondContact O-NH2 2.93Å; L206-R311 VanDerWaalsContact N-NH2 3.16Å; E307-R311 WeakPolarHBondContact O-CA 3.48Å; E307-R311 PolarHBondContact O-N 3.06Å
312	Q	91.6	Very high	92.7	Very high	142 Å²	142	41.2 Å²	41.2	66%	0.664	21%	0.21	S	C	*	.	S	Bend	trans	-129.6	140.1	178.4	-64.9	-178.8	-0.9	0	0	109.1	E307 C310 L314	E307-Q312 WeakPolarHBondContact CA-O 3.12Å; E307-Q312 WeakPolarHBondContact CG-O 3.18Å; C310-Q312 PolarHBondContact O-N 2.9Å; C310-Q312 PolarHBondContact SG-O 2.9Å; Q312-L314 PolarHBondContact O-N 3.37Å; Q312-L314 VanDerWaalsContact O-N 3.15Å
313	I	94.2	Very high	92.4	Very high	39 Å²	39	41.2 Å²	41.2	20%	0.2	21%	0.21	C	C	.	.			trans	-59	121.4	174.9	-62.3	171.2	0	0	0	108.1	F279 F315 Q316	F279-I313 HydrophobicContact CB-CG2 3.74Å; F279-I313 HydrophobicContact CD2-CD1 4.02Å; F279-I313 HydrophobicContact CD2-CG2 3.74Å; F279-I313 HydrophobicContact CE2-CD1 4.24Å; F279-I313 HydrophobicContact CG-CG2 3.96Å; I313-F315 PolarHBondContact O-N 2.9Å; I313-Q316 HydrophobicContact CB-CB 4.07Å; I313-Q316 HydrophobicContact CG2-CB 3.88Å
314	L	94.5	Very high	92.1	Very high	21 Å²	21	41.4 Å²	41.4	11%	0.11	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-40.2	-170.1	-173.7	63.6	0	0	0	113.2	Q312 L330 I369 F394 L398	Q312-L314 PolarHBondContact O-N 3.37Å; Q312-L314 VanDerWaalsContact O-N 3.15Å; L314-L330 HydrophobicContact CD1-CD2 4.01Å; L314-L330 HydrophobicContact CD2-CD2 4.27Å; L314-L330 HydrophobicContact CG-CD2 4.32Å; L314-I369 HydrophobicContact CD1-CD1 3.54Å; L314-I369 HydrophobicContact CD1-CG1 4.17Å; L314-I369 HydrophobicContact CD1-CG2 4.2Å; L314-F394 HydrophobicContact CD2-CE2 4.08Å; L314-F394 HydrophobicContact CD2-CZ 3.83Å; L314-L398 HydrophobicContact CD2-CD1 3.91Å
315	F	95.3	Very high	91.9	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.009	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.7	55.1	-176.8	-52.8	-62.1	0	0	0	111.9	W299 C303 I313 S317 Q323 M326 I327 L330 L398	W299-F315 AromaticContact CZ2-CE2 3.92Å; W299-F315 HydrophobicContact CZ2-CE2 3.92Å; W299-F315 HydrophobicContact CZ2-CZ 4.4Å; C303-F315 VanDerWaalsContact SG-CD2 3.58Å; I313-F315 PolarHBondContact O-N 2.9Å; F315-S317 PolarHBondContact O-N 3.11Å; F315-Q323 HydrophobicContact CB-CG 3.88Å; F315-M326 HydrophobicContact CD1-CB 3.97Å; F315-I327 HydrophobicContact CD1-CG1 3.84Å; F315-I327 HydrophobicContact CD2-CG1 4.17Å; F315-I327 HydrophobicContact CE1-CB 4.39Å; F315-I327 HydrophobicContact CE1-CG1 3.8Å; F315-I327 HydrophobicContact CE2-CG1 4.12Å; F315-I327 HydrophobicContact CG-CG1 4.03Å; F315-I327 HydrophobicContact CZ-CG1 3.93Å; F315-L330 HydrophobicContact CE1-CB 4.28Å; F315-L330 HydrophobicContact CE1-CD2 3.75Å; F315-L330 HydrophobicContact CZ-CD2 3.76Å; F315-L398 HydrophobicContact CZ-CD1 4.46Å
316	Q	92.6	Very high	91.7	Very high	124 Å²	124	46.5 Å²	46.5	58%	0.579	24%	0.236	S	C	*	.			trans	-72.3	111.8	177.6	-168.3	175.2	20.5	0	0	111.4	F279 I313	F279-Q316 HydrophobicContact CE2-CG 4.06Å; F279-Q316 HydrophobicContact CZ-CG 4.09Å; I313-Q316 HydrophobicContact CB-CB 4.07Å; I313-Q316 HydrophobicContact CG2-CB 3.88Å
317	S	89.5	Confident	91.7	Very high	14 Å²	14	46.5 Å²	46.5	10%	0.098	24%	0.236	C	C	.	.			trans	-142.2	148.3	-170.9	61.1	0	0	0	0	113	F279 F315 S319 Q323	F279-S317 WeakPolarHBondContact CE1-O 3.25Å; F315-S317 PolarHBondContact O-N 3.11Å; S317-S319 VanDerWaalsContact C-N 3.33Å; S317-S319 PolarHBondContact O-N 3.28Å; S317-S319 PolarHBondContact OG-O 3.26Å; S317-Q323 WeakPolarHBondContact OG-CB 3.41Å
318	S	85.7	Confident	91.7	Very high	98 Å²	98	46.5 Å²	46.5	69%	0.685	24%	0.236	S	C	*	.	S	Bend	trans	-78.6	-12.9	176.3	52.9	0	0	0	0	114.7
319	S	86.8	Confident	91.7	Very high	45 Å²	45	49.7 Å²	49.7	32%	0.315	25%	0.253	S	S	.	.	S	Bend	trans	-155.6	158.9	-179.8	70	0	0	0	0	111.8	S317 F321 R322 Q323	S317-S319 VanDerWaalsContact C-N 3.33Å; S317-S319 PolarHBondContact O-N 3.28Å; S317-S319 PolarHBondContact OG-O 3.26Å; S319-F321 PolarHBondContact O-N 3.4Å; S319-R322 PolarHBondContact O-N 3.21Å; S319-R322 WeakPolarHBondContact OG-CG 3.31Å; S319-R322 PolarHBondContact OG-N 2.98Å; S319-Q323 PolarHBondContact O-N 3.43Å
320	S	85.9	Confident	91.9	Very high	44 Å²	44	50 Å²	50	31%	0.308	26%	0.255	S	S	.	.	H	α-helix	trans	-54.4	-38.6	176.8	-43.6	0	0	0	0	112.6	Q278 Q323 L324	Q278-S320 PolarHBondContact OE1-OG 3.23Å; S320-Q323 WeakPolarHBondContact O-CB 3.36Å; S320-Q323 PolarHBondContact O-N 2.94Å; S320-L324 WeakPolarHBondContact O-CG 3.48Å; S320-L324 PolarHBondContact O-N 3.3Å
321	F	86.4	Confident	92.1	Very high	103 Å²	103	49.5 Å²	49.5	45%	0.452	25%	0.25	S	S	.	.	H	α-helix	trans	-60.5	-47.8	175.7	168.9	-92.4	0	0	0	111.8	S319 Q323 L324 D325 F352	S319-F321 PolarHBondContact O-N 3.4Å; F321-Q323 VanDerWaalsContact C-N 3.27Å; F321-Q323 PolarHBondContact O-N 3.45Å; F321-L324 PolarHBondContact O-N 2.84Å; F321-D325 PolarHBondContact O-N 3.29Å; F321-F352 HydrophobicContact CD2-CD2 4.42Å; F321-F352 HydrophobicContact CD2-CE1 4.42Å; F321-F352 AromaticContact CD2-CE2 3.19Å; F321-F352 HydrophobicContact CD2-CE2 3.19Å; F321-F352 AromaticContact CD2-CZ 3.19Å; F321-F352 HydrophobicContact CD2-CZ 3.19Å; F321-F352 AromaticContact CE2-CE2 3.21Å; F321-F352 HydrophobicContact CE2-CE2 3.21Å; F321-F352 AromaticContact CE2-CZ 3.28Å; F321-F352 HydrophobicContact CE2-CZ 3.28Å; F321-F352 HydrophobicContact CG-CZ 4.41Å
322	R	90.7	Very high	92.3	Very high	146 Å²	146	47.2 Å²	47.2	55%	0.551	24%	0.242	S	C	*	.	H	α-helix	trans	-66.8	-33.5	179.3	-64.2	-69.7	-87.9	-159	-6	111	S319 D325 M326	S319-R322 PolarHBondContact O-N 3.21Å; S319-R322 WeakPolarHBondContact OG-CG 3.31Å; S319-R322 PolarHBondContact OG-N 2.98Å; R322-D325 PolarHBondContact O-N 3.42Å; R322-M326 WeakPolarHBondContact O-CG 3.39Å; R322-M326 PolarHBondContact O-N 3.01Å
323	Q	93	Very high	92.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.3	-47.4	174	-156.1	172.9	-24.5	0	0	111.8	Q278 F279 R281 L286 F315 S317 S319 S320 F321 D325 M326 I327	Q278-Q323 PolarHBondContact O-NE2 3.43Å; Q278-Q323 PolarHBondContact O-OE1 3.26Å; Q278-Q323 VanDerWaalsContact O-OE1 3.12Å; F279-Q323 PolarHBondContact O-NE2 2.93Å; R281-Q323 PolarHBondContact O-NE2 3.35Å; L286-Q323 HydrophobicContact CD1-CB 3.96Å; L286-Q323 HydrophobicContact CD1-CG 3.89Å; F315-Q323 HydrophobicContact CB-CG 3.88Å; S317-Q323 WeakPolarHBondContact OG-CB 3.41Å; S319-Q323 PolarHBondContact O-N 3.43Å; S320-Q323 WeakPolarHBondContact O-CB 3.36Å; S320-Q323 PolarHBondContact O-N 2.94Å; F321-Q323 VanDerWaalsContact C-N 3.27Å; F321-Q323 PolarHBondContact O-N 3.45Å; Q323-D325 VanDerWaalsContact C-N 3.29Å; Q323-D325 PolarHBondContact O-N 3.24Å; Q323-M326 WeakPolarHBondContact O-CB 3.38Å; Q323-M326 PolarHBondContact O-N 3.02Å; Q323-I327 HydrophobicContact CG-CD1 4.32Å; Q323-I327 VanDerWaalsContact O-CG1 3.26Å; Q323-I327 WeakPolarHBondContact O-CG1 3.17Å; Q323-I327 PolarHBondContact O-N 3.36Å
324	L	91.1	Very high	92	Very high	5 Å²	5	40.6 Å²	40.6	3%	0.026	22%	0.215	C	C	.	.	H	α-helix	trans	-58.9	-41.1	175.7	-73	166	0	0	0	111.5	P283 L286 L287 S320 F321 M326 I327 F328 F352	P283-L324 HydrophobicContact CB-CD2 4.06Å; L286-L324 HydrophobicContact CB-CD1 4.32Å; L286-L324 HydrophobicContact CB-CD2 4.13Å; L286-L324 HydrophobicContact CB-CG 4.12Å; L286-L324 HydrophobicContact CD1-CD2 4.08Å; L286-L324 HydrophobicContact CD1-CG 4.14Å; L287-L324 HydrophobicContact CD1-CD2 4.21Å; L287-L324 HydrophobicContact CD2-CD1 3.62Å; L287-L324 HydrophobicContact CG-CD1 3.92Å; L287-L324 HydrophobicContact CG-CD2 4.12Å; S320-L324 WeakPolarHBondContact O-CG 3.48Å; S320-L324 PolarHBondContact O-N 3.3Å; F321-L324 PolarHBondContact O-N 2.84Å; L324-M326 PolarHBondContact O-N 3.32Å; L324-I327 WeakPolarHBondContact O-CB 3.11Å; L324-I327 PolarHBondContact O-N 2.9Å; L324-F328 HydrophobicContact CB-CE2 4.16Å; L324-F328 HydrophobicContact CB-CZ 4.44Å; L324-F328 HydrophobicContact CD2-CZ 4.33Å; L324-F328 VanDerWaalsContact O-CD2 3.24Å; L324-F328 WeakPolarHBondContact O-CD2 3.48Å; L324-F328 VanDerWaalsContact O-CG 3.23Å; L324-F328 WeakPolarHBondContact O-CG 3.36Å; L324-F328 PolarHBondContact O-N 3.01Å; L324-F352 HydrophobicContact CB-CE1 4.44Å; L324-F352 HydrophobicContact CD1-CD1 4.43Å; L324-F352 HydrophobicContact CD1-CE1 3.88Å
325	D	92.7	Very high	91.5	Very high	43 Å²	43	43.5 Å²	43.5	23%	0.23	23%	0.231	C	C	.	.	H	α-helix	trans	-61	-44.9	175.5	-167.5	68.2	0	0	0	112.2	F321 R322 Q323 I327 F328 N329 R359	F321-D325 PolarHBondContact O-N 3.29Å; R322-D325 PolarHBondContact O-N 3.42Å; Q323-D325 VanDerWaalsContact C-N 3.29Å; Q323-D325 PolarHBondContact O-N 3.24Å; D325-I327 VanDerWaalsContact C-N 3.32Å; D325-I327 PolarHBondContact O-N 2.88Å; D325-F328 PolarHBondContact O-N 3.03Å; D325-N329 WeakPolarHBondContact O-CB 3.35Å; D325-N329 PolarHBondContact O-N 2.92Å; D325-N329 PolarHBondContact O-ND2 3.16Å; D325-N329 PolarHBondContact OD2-ND2 3.49Å; D325-N329 VanDerWaalsContact OD2-ND2 3.07Å; D325-R359 IonicContact OD1-CZ 2.78Å; D325-R359 IonicContact OD1-NH1 3.75Å; D325-R359 IonicContact OD1-NH2 2.67Å; D325-R359 PolarHBondContact OD1-NH2 2.98Å
326	M	95.4	Very high	90.7	Very high	64 Å²	64	46.9 Å²	46.9	32%	0.315	26%	0.259	S	S	.	.	H	α-helix	trans	-61.4	-40.6	174.6	-66.7	176.4	77.5	0	0	112.3	F315 R322 Q323 L324 N329 L330	F315-M326 HydrophobicContact CD1-CB 3.97Å; R322-M326 WeakPolarHBondContact O-CG 3.39Å; R322-M326 PolarHBondContact O-N 3.01Å; Q323-M326 WeakPolarHBondContact O-CB 3.38Å; Q323-M326 PolarHBondContact O-N 3.02Å; L324-M326 PolarHBondContact O-N 3.32Å; M326-N329 PolarHBondContact O-N 3.3Å; M326-L330 PolarHBondContact O-N 3.2Å; M326-L330 VanDerWaalsContact O-N 3.16Å
327	I	95.5	Very high	90	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.6	-49.6	176.3	-69.5	166.8	0	0	0	110.1	P283 L286 W299 F315 Q323 L324 D325 N329 L330 L331 F400	P283-I327 HydrophobicContact CG-CD1 4.29Å; P283-I327 HydrophobicContact CG-CG2 4.34Å; L286-I327 HydrophobicContact CD1-CD1 3.82Å; W299-I327 HydrophobicContact CH2-CD1 4.26Å; W299-I327 HydrophobicContact CH2-CG1 4.36Å; W299-I327 HydrophobicContact CH2-CG2 3.69Å; W299-I327 HydrophobicContact CZ2-CD1 3.62Å; W299-I327 HydrophobicContact CZ2-CG1 3.86Å; W299-I327 HydrophobicContact CZ2-CG2 4.07Å; F315-I327 HydrophobicContact CD1-CG1 3.84Å; F315-I327 HydrophobicContact CD2-CG1 4.17Å; F315-I327 HydrophobicContact CE1-CB 4.39Å; F315-I327 HydrophobicContact CE1-CG1 3.8Å; F315-I327 HydrophobicContact CE2-CG1 4.12Å; F315-I327 HydrophobicContact CG-CG1 4.03Å; F315-I327 HydrophobicContact CZ-CG1 3.93Å; Q323-I327 HydrophobicContact CG-CD1 4.32Å; Q323-I327 VanDerWaalsContact O-CG1 3.26Å; Q323-I327 WeakPolarHBondContact O-CG1 3.17Å; Q323-I327 PolarHBondContact O-N 3.36Å; L324-I327 WeakPolarHBondContact O-CB 3.11Å; L324-I327 PolarHBondContact O-N 2.9Å; D325-I327 VanDerWaalsContact C-N 3.32Å; D325-I327 PolarHBondContact O-N 2.88Å; I327-N329 VanDerWaalsContact C-N 3.31Å; I327-N329 PolarHBondContact O-N 3.09Å; I327-L330 PolarHBondContact O-N 2.81Å; I327-L330 VanDerWaalsContact O-N 3.16Å; I327-L331 HydrophobicContact CG2-CD1 4.05Å; I327-L331 PolarHBondContact O-N 2.95Å; I327-F400 HydrophobicContact CG2-CE1 3.58Å; I327-F400 HydrophobicContact CG2-CZ 3.78Å
328	F	94.4	Very high	89.6	Confident	3 Å²	3	47.2 Å²	47.2	1%	0.013	26%	0.26	C	S	.	.	H	α-helix	trans	-66.6	-30.5	179	-58.8	-32.9	0	0	0	113	L324 D325 L330 G332 P334 F352 I353 F400	L324-F328 HydrophobicContact CB-CE2 4.16Å; L324-F328 HydrophobicContact CB-CZ 4.44Å; L324-F328 HydrophobicContact CD2-CZ 4.33Å; L324-F328 VanDerWaalsContact O-CD2 3.24Å; L324-F328 WeakPolarHBondContact O-CD2 3.48Å; L324-F328 VanDerWaalsContact O-CG 3.23Å; L324-F328 WeakPolarHBondContact O-CG 3.36Å; L324-F328 PolarHBondContact O-N 3.01Å; D325-F328 PolarHBondContact O-N 3.03Å; F328-L330 VanDerWaalsContact C-N 3.3Å; F328-L330 PolarHBondContact O-N 3.45Å; F328-G332 WeakPolarHBondContact CA-O 3.49Å; F328-G332 CarbonylContact O-C 3.43Å; F328-G332 WeakPolarHBondContact O-CA 3.31Å; F328-G332 PolarHBondContact O-N 3.22Å; F328-P334 HydrophobicContact CE1-CG 4.23Å; F328-F352 HydrophobicContact CE2-CE1 4.38Å; F328-I353 HydrophobicContact CZ-CG1 4.28Å; F328-I353 HydrophobicContact CZ-CG2 4.29Å; F328-F400 AromaticContact CD1-CE1 3.84Å; F328-F400 HydrophobicContact CD1-CE1 3.84Å; F328-F400 AromaticContact CD1-CZ 3.74Å; F328-F400 HydrophobicContact CD1-CZ 3.74Å; F328-F400 AromaticContact CE1-CE1 3.65Å; F328-F400 HydrophobicContact CE1-CE1 3.65Å; F328-F400 HydrophobicContact CE1-CZ 4.02Å
329	N	95.6	Very high	89	Confident	70 Å²	70	44.5 Å²	44.5	37%	0.374	24%	0.238	S	C	.	.	H	α-helix	trans	-70.3	-25.4	174.8	-72.3	-34.1	0	0	0	113.1	D325 M326 I327 R359 N362	D325-N329 WeakPolarHBondContact O-CB 3.35Å; D325-N329 PolarHBondContact O-N 2.92Å; D325-N329 PolarHBondContact O-ND2 3.16Å; D325-N329 PolarHBondContact OD2-ND2 3.49Å; D325-N329 VanDerWaalsContact OD2-ND2 3.07Å; M326-N329 PolarHBondContact O-N 3.3Å; I327-N329 VanDerWaalsContact C-N 3.31Å; I327-N329 PolarHBondContact O-N 3.09Å; N329-R359 VanDerWaalsContact OD1-CD 3.26Å; N329-R359 WeakPolarHBondContact OD1-CD 3.36Å; N329-R359 PolarHBondContact OD1-NE 3.28Å; N329-N362 VanDerWaalsContact O-CB 3.27Å; N329-N362 WeakPolarHBondContact O-CB 3.49Å; N329-N362 PolarHBondContact O-ND2 3.06Å; N329-N362 VanDerWaalsContact O-ND2 3.12Å
330	L	96.9	Very high	88.1	Confident	11 Å²	11	47.5 Å²	47.5	6%	0.058	25%	0.249	C	C	.	.	H	α-helix	trans	-90.8	-50.7	178	-177.2	64.2	0	0	0	112	L314 F315 M326 I327 F328 N362 A365 V366 I369 F394	L314-L330 HydrophobicContact CD1-CD2 4.01Å; L314-L330 HydrophobicContact CD2-CD2 4.27Å; L314-L330 HydrophobicContact CG-CD2 4.32Å; F315-L330 HydrophobicContact CE1-CB 4.28Å; F315-L330 HydrophobicContact CE1-CD2 3.75Å; F315-L330 HydrophobicContact CZ-CD2 3.76Å; M326-L330 PolarHBondContact O-N 3.2Å; M326-L330 VanDerWaalsContact O-N 3.16Å; I327-L330 PolarHBondContact O-N 2.81Å; I327-L330 VanDerWaalsContact O-N 3.16Å; F328-L330 VanDerWaalsContact C-N 3.3Å; F328-L330 PolarHBondContact O-N 3.45Å; L330-N362 VanDerWaalsContact O-CB 3.29Å; L330-N362 WeakPolarHBondContact O-CB 3.47Å; L330-N362 PolarHBondContact O-N 3Å; L330-N362 VanDerWaalsContact O-N 3.07Å; L330-A365 HydrophobicContact CD1-CB 3.69Å; L330-V366 HydrophobicContact CD1-CG2 3.63Å; L330-V366 HydrophobicContact CG-CG2 4.11Å; L330-I369 HydrophobicContact CD1-CD1 3.53Å; L330-I369 HydrophobicContact CD2-CD1 4.03Å; L330-I369 HydrophobicContact CG-CD1 4.46Å; L330-F394 HydrophobicContact CD2-CZ 4.46Å
331	L	95.9	Very high	87.3	Confident	16 Å²	16	47.6 Å²	47.6	8%	0.084	25%	0.246	C	C	.	.	H	α-helix	trans	-98.4	-5.7	-170.4	-56.1	177.1	0	0	0	113.4	W299 I327 F361 L398 F400	W299-L331 HydrophobicContact CH2-CD1 3.73Å; W299-L331 HydrophobicContact CZ3-CD1 4.2Å; I327-L331 HydrophobicContact CG2-CD1 4.05Å; I327-L331 PolarHBondContact O-N 2.95Å; L331-F361 HydrophobicContact CD2-CE2 3.99Å; L331-F361 WeakPolarHBondContact O-CD2 3.13Å; L331-L398 HydrophobicContact CD1-CB 3.99Å; L331-L398 VanDerWaalsContact CD1-O 3.31Å; L331-L398 WeakPolarHBondContact CD1-O 3.24Å; L331-L398 HydrophobicContact CD2-CB 4.34Å; L331-F400 HydrophobicContact CB-CE2 3.7Å; L331-F400 HydrophobicContact CB-CZ 3.88Å; L331-F400 HydrophobicContact CD1-CE2 4.36Å; L331-F400 HydrophobicContact CD1-CZ 4.24Å
332	G	94.5	Very high	86.2	Confident	2 Å²	2	43.2 Å²	43.2	2%	0.021	23%	0.228	C	C	.	.			trans	79.7	179.7	-169.2	0	0	0	0	0	112.6	F328 R359 P360 F400	F328-G332 WeakPolarHBondContact CA-O 3.49Å; F328-G332 CarbonylContact O-C 3.43Å; F328-G332 WeakPolarHBondContact O-CA 3.31Å; F328-G332 PolarHBondContact O-N 3.22Å; G332-R359 CarbonylContact C-O 3.51Å; G332-R359 WeakPolarHBondContact CA-O 3.12Å; G332-P360 WeakPolarHBondContact CA-O 3.44Å; G332-F400 WeakPolarHBondContact O-CE2 3.49Å; G332-F400 WeakPolarHBondContact O-CZ 3.44Å
333	S	91.1	Very high	84.4	Confident	30 Å²	30	41 Å²	41	21%	0.21	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-81.5	141	176.2	-59.6	0	0	0	0	110.8	N335 P357 V358 R359	S333-N335 PolarHBondContact O-N 3.27Å; S333-P357 PolarHBondContact OG-O 2.95Å; S333-V358 WeakPolarHBondContact OG-CA 3.27Å; S333-R359 PolarHBondContact N-O 3.48Å; S333-R359 PolarHBondContact OG-N 3.15Å
334	P	88.1	Confident	82.9	Confident	11 Å²	11	43 Å²	43	7%	0.071	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-62.5	137.3	177	27	-34.8	0	0	0	110.4	F328 E338 L339 I353 F400	F328-P334 HydrophobicContact CE1-CG 4.23Å; P334-E338 VanDerWaalsContact CA-OE2 3.31Å; P334-E338 WeakPolarHBondContact CA-OE2 3.38Å; P334-E338 HydrophobicContact CB-CB 4.02Å; P334-L339 HydrophobicContact CB-CD2 4.16Å; P334-L339 HydrophobicContact CB-CG 4.24Å; P334-L339 HydrophobicContact CG-CD2 3.7Å; P334-L339 HydrophobicContact CG-CG 4.17Å; P334-I353 HydrophobicContact CG-CG2 3.75Å; P334-F400 HydrophobicContact CB-CB 4.34Å; P334-F400 HydrophobicContact CB-CD1 4.32Å; P334-F400 HydrophobicContact CB-CD2 4.16Å; P334-F400 HydrophobicContact CB-CG 4.02Å
335	N	84.2	Confident	81.8	Confident	83 Å²	83	43.9 Å²	43.9	44%	0.444	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-76.4	170.2	176	66.6	60.9	0	0	0	111.6	S333 M337 E338 L339	S333-N335 PolarHBondContact O-N 3.27Å; N335-M337 PolarHBondContact O-N 2.72Å; N335-M337 VanDerWaalsContact O-N 3.16Å; N335-M337 WeakPolarHBondContact OD1-CA 3.43Å; N335-M337 WeakPolarHBondContact OD1-CB 3.4Å; N335-M337 PolarHBondContact OD1-N 3.43Å; N335-E338 PolarHBondContact N-OE2 2.92Å; N335-E338 VanDerWaalsContact ND2-CD 3.25Å; N335-E338 PolarHBondContact ND2-OE2 2.92Å; N335-E338 PolarHBondContact O-N 3.33Å; N335-E338 VanDerWaalsContact O-N 3.1Å; N335-E338 PolarHBondContact OD1-N 2.75Å; N335-L339 WeakPolarHBondContact O-CG 3.48Å; N335-L339 PolarHBondContact O-N 3.33Å
336	A	78.1	Confident	80.7	Confident	73 Å²	73	44.1 Å²	44.1	60%	0.603	26%	0.258	S	S	*	.	H	α-helix	trans	-55.7	-35.6	-177.3	0	0	0	0	0	113.6	I340	A336-I340 WeakPolarHBondContact O-CD1 3.25Å; A336-I340 VanDerWaalsContact O-CG1 3.27Å; A336-I340 WeakPolarHBondContact O-CG1 3.49Å; A336-I340 PolarHBondContact O-N 2.89Å; A336-I340 VanDerWaalsContact O-N 3.14Å
337	M	77.4	Confident	79.7	Confident	111 Å²	111	45.5 Å²	45.5	55%	0.547	27%	0.274	S	S	.	.	H	α-helix	trans	-73.1	-40.5	178.2	-67	-61.5	-63.3	0	0	111.9	N335 L339 I340 D341	N335-M337 PolarHBondContact O-N 2.72Å; N335-M337 VanDerWaalsContact O-N 3.16Å; N335-M337 WeakPolarHBondContact OD1-CA 3.43Å; N335-M337 WeakPolarHBondContact OD1-CB 3.4Å; N335-M337 PolarHBondContact OD1-N 3.43Å; M337-L339 VanDerWaalsContact C-N 3.29Å; M337-L339 PolarHBondContact O-N 3.15Å; M337-I340 PolarHBondContact O-N 3.31Å; M337-I340 HydrophobicContact SD-CD1 4.12Å; M337-D341 PolarHBondContact O-N 3.01Å; M337-D341 VanDerWaalsContact O-N 3.16Å
338	E	83	Confident	78.8	Confident	33 Å²	33	49.5 Å²	49.5	15%	0.154	30%	0.302	C	S	.	.	H	α-helix	trans	-63.8	-37.4	174.5	-68.7	171.3	142.5	0	0	111.4	P334 N335 I340 D341 L342 F400	P334-E338 VanDerWaalsContact CA-OE2 3.31Å; P334-E338 WeakPolarHBondContact CA-OE2 3.38Å; P334-E338 HydrophobicContact CB-CB 4.02Å; N335-E338 PolarHBondContact N-OE2 2.92Å; N335-E338 VanDerWaalsContact ND2-CD 3.25Å; N335-E338 PolarHBondContact ND2-OE2 2.92Å; N335-E338 PolarHBondContact O-N 3.33Å; N335-E338 VanDerWaalsContact O-N 3.1Å; N335-E338 PolarHBondContact OD1-N 2.75Å; E338-I340 VanDerWaalsContact C-N 3.31Å; E338-I340 PolarHBondContact O-N 2.98Å; E338-D341 PolarHBondContact O-N 3.41Å; E338-L342 WeakPolarHBondContact O-CG 3.43Å; E338-L342 PolarHBondContact O-N 2.68Å; E338-F400 HydrophobicContact CB-CB 4.24Å; E338-F400 HydrophobicContact CG-CB 4.44Å
339	L	72.5	Confident	78.1	Confident	41 Å²	41	50 Å²	50	22%	0.215	31%	0.306	C	S	.	.	H	α-helix	trans	-64.5	-32.5	173.5	-72.5	175.9	0	0	0	113	P334 N335 M337 L342 I353	P334-L339 HydrophobicContact CB-CD2 4.16Å; P334-L339 HydrophobicContact CB-CG 4.24Å; P334-L339 HydrophobicContact CG-CD2 3.7Å; P334-L339 HydrophobicContact CG-CG 4.17Å; N335-L339 WeakPolarHBondContact O-CG 3.48Å; N335-L339 PolarHBondContact O-N 3.33Å; M337-L339 VanDerWaalsContact C-N 3.29Å; M337-L339 PolarHBondContact O-N 3.15Å; L339-L342 HydrophobicContact CD2-CD1 3.73Å; L339-L342 WeakPolarHBondContact O-CB 3.24Å; L339-L342 PolarHBondContact O-N 2.59Å; L339-I353 HydrophobicContact CD2-CB 4.22Å; L339-I353 HydrophobicContact CD2-CD1 3.71Å; L339-I353 HydrophobicContact CD2-CG2 3.76Å
340	I	68.1	Low	77.1	Confident	109 Å²	109	49.3 Å²	49.3	56%	0.559	30%	0.302	S	S	*	.	H	α-helix	trans	-69.5	-37.9	175.2	-69.7	162.2	0	0	0	110.5	A336 M337 E338 L342 V343	A336-I340 WeakPolarHBondContact O-CD1 3.25Å; A336-I340 VanDerWaalsContact O-CG1 3.27Å; A336-I340 WeakPolarHBondContact O-CG1 3.49Å; A336-I340 PolarHBondContact O-N 2.89Å; A336-I340 VanDerWaalsContact O-N 3.14Å; M337-I340 PolarHBondContact O-N 3.31Å; M337-I340 HydrophobicContact SD-CD1 4.12Å; E338-I340 VanDerWaalsContact C-N 3.31Å; E338-I340 PolarHBondContact O-N 2.98Å; I340-L342 PolarHBondContact O-N 3.29Å; I340-V343 WeakPolarHBondContact O-CG2 3.39Å
341	D	68.6	Low	76.3	Confident	45 Å²	45	52.6 Å²	52.6	24%	0.241	32%	0.319	C	S	.	.	H	α-helix	trans	-67.4	-14.1	175.6	-71.2	-29.7	0	0	0	112.9	M337 E338 V343 S401 S403 K404	M337-D341 PolarHBondContact O-N 3.01Å; M337-D341 VanDerWaalsContact O-N 3.16Å; E338-D341 PolarHBondContact O-N 3.41Å; D341-V343 PolarHBondContact O-N 2.83Å; D341-S401 WeakPolarHBondContact CB-OG 3.27Å; D341-S401 VanDerWaalsContact CG-OG 3.25Å; D341-S401 VanDerWaalsContact OD2-CB 3.27Å; D341-S401 WeakPolarHBondContact OD2-CB 3.5Å; D341-S401 PolarHBondContact OD2-OG 3.41Å; D341-S403 PolarHBondContact OD2-OG 3.43Å; D341-K404 IonicContact OD2-NZ 2.86Å
342	L	64	Low	75.7	Confident	12 Å²	12	54.5 Å²	54.5	6%	0.063	33%	0.327	C	S	.	.			trans	-75.2	51.4	167.1	-55.5	177.5	0	0	0	110.7	E338 L339 I340 F345 I353	E338-L342 WeakPolarHBondContact O-CG 3.43Å; E338-L342 PolarHBondContact O-N 2.68Å; L339-L342 HydrophobicContact CD2-CD1 3.73Å; L339-L342 WeakPolarHBondContact O-CB 3.24Å; L339-L342 PolarHBondContact O-N 2.59Å; I340-L342 PolarHBondContact O-N 3.29Å; L342-F345 HydrophobicContact CB-CD1 4.14Å; L342-F345 HydrophobicContact CB-CD2 3.7Å; L342-F345 HydrophobicContact CB-CE1 3.87Å; L342-F345 HydrophobicContact CB-CE2 3.41Å; L342-F345 VanDerWaalsContact CB-CE2 3.41Å; L342-F345 HydrophobicContact CB-CG 4.03Å; L342-F345 HydrophobicContact CB-CZ 3.48Å; L342-F345 VanDerWaalsContact CB-CZ 3.48Å; L342-F345 HydrophobicContact CD1-CE1 4.14Å; L342-F345 HydrophobicContact CD1-CZ 4.32Å; L342-F345 HydrophobicContact CD2-CE1 3.92Å; L342-F345 HydrophobicContact CD2-CE2 4.02Å; L342-F345 HydrophobicContact CD2-CZ 3.35Å; L342-F345 HydrophobicContact CG-CE1 4.16Å; L342-F345 HydrophobicContact CG-CE2 4.25Å; L342-F345 HydrophobicContact CG-CZ 3.84Å; L342-F345 WeakPolarHBondContact O-CD2 3.29Å; L342-F345 WeakPolarHBondContact O-CE2 3.39Å; L342-F345 WeakPolarHBondContact O-CG 3.27Å; L342-I353 HydrophobicContact CD1-CD1 3.77Å
343	V	52.1	Low	75.1	Confident	99 Å²	99	55 Å²	55	60%	0.6	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	136.7	177.5	-179.6	0	0	0	0	110.3	I340 D341	I340-V343 WeakPolarHBondContact O-CG2 3.39Å; D341-V343 PolarHBondContact O-N 2.83Å
344	G	60.7	Low	74.6	Confident	43 Å²	43	62 Å²	62	44%	0.443	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.5	10.5	175.9	0	0	0	0	0	115.2
345	F	68.9	Low	74.5	Confident	23 Å²	23	67.9 Å²	67.9	10%	0.101	38%	0.382	C	S	.	.			trans	-83.4	143.7	-177.9	-75.1	-126.6	0	0	0	110.3	E284 L287 L342 I350	E284-F345 HydrophobicContact CB-CE1 4.14Å; E284-F345 HydrophobicContact CB-CE2 4Å; E284-F345 HydrophobicContact CB-CZ 3.32Å; L287-F345 HydrophobicContact CB-CD1 3.58Å; L287-F345 HydrophobicContact CB-CE1 3.52Å; L287-F345 HydrophobicContact CD1-CD1 4.04Å; L287-F345 HydrophobicContact CD1-CE1 3.56Å; L287-F345 HydrophobicContact CG-CD1 4.41Å; L287-F345 HydrophobicContact CG-CE1 4.17Å; L342-F345 HydrophobicContact CB-CD1 4.14Å; L342-F345 HydrophobicContact CB-CD2 3.7Å; L342-F345 HydrophobicContact CB-CE1 3.87Å; L342-F345 HydrophobicContact CB-CE2 3.41Å; L342-F345 VanDerWaalsContact CB-CE2 3.41Å; L342-F345 HydrophobicContact CB-CG 4.03Å; L342-F345 HydrophobicContact CB-CZ 3.48Å; L342-F345 VanDerWaalsContact CB-CZ 3.48Å; L342-F345 HydrophobicContact CD1-CE1 4.14Å; L342-F345 HydrophobicContact CD1-CZ 4.32Å; L342-F345 HydrophobicContact CD2-CE1 3.92Å; L342-F345 HydrophobicContact CD2-CE2 4.02Å; L342-F345 HydrophobicContact CD2-CZ 3.35Å; L342-F345 HydrophobicContact CG-CE1 4.16Å; L342-F345 HydrophobicContact CG-CE2 4.25Å; L342-F345 HydrophobicContact CG-CZ 3.84Å; L342-F345 WeakPolarHBondContact O-CD2 3.29Å; L342-F345 WeakPolarHBondContact O-CE2 3.39Å; L342-F345 WeakPolarHBondContact O-CG 3.27Å; F345-I350 HydrophobicContact CB-CG1 4.35Å
346	P	70.1	Confident	74.6	Confident	48 Å²	48	65 Å²	65	31%	0.312	37%	0.368	S	S	.	.			trans	-55.4	141.6	168.5	-23	33.1	0	0	0	110.8	G288 S348 S349 I350	G288-P346 WeakPolarHBondContact O-CD 3.41Å; P346-S348 PolarHBondContact O-N 3.2Å; P346-S348 VanDerWaalsContact O-N 3.13Å; P346-S349 VanDerWaalsContact O-CB 3.31Å; P346-S349 WeakPolarHBondContact O-CB 3.5Å; P346-S349 PolarHBondContact O-N 3.16Å; P346-I350 PolarHBondContact O-N 3.15Å
347	S	73.1	Confident	75.1	Confident	93 Å²	93	65.8 Å²	65.8	65%	0.65	37%	0.367	S	S	*	.	H	α-helix	trans	-54	-37.1	178.7	-50.8	0	0	0	0	112.2	S349 I350 D351	S347-S349 VanDerWaalsContact C-N 3.26Å; S347-S349 PolarHBondContact O-N 3.5Å; S347-I350 PolarHBondContact O-N 3.08Å; S347-I350 VanDerWaalsContact O-N 3.1Å; S347-D351 PolarHBondContact O-N 2.9Å
348	S	77.6	Confident	75.7	Confident	83 Å²	83	66.9 Å²	66.9	58%	0.58	38%	0.38	S	S	*	.	H	α-helix	trans	-58.3	-34.4	175.6	52	0	0	0	0	113.6	P346 F352	P346-S348 PolarHBondContact O-N 3.2Å; P346-S348 VanDerWaalsContact O-N 3.13Å; S348-F352 VanDerWaalsContact O-CB 3.27Å; S348-F352 WeakPolarHBondContact O-CB 3.47Å; S348-F352 PolarHBondContact O-N 3.32Å
349	S	78.5	Confident	76.2	Confident	15 Å²	15	67.8 Å²	67.8	11%	0.105	38%	0.382	C	S	.	.	H	α-helix	trans	-72.5	-33.2	177.7	-61.7	0	0	0	0	112	L287 P346 S347 F352 I353	L287-S349 PolarHBondContact O-OG 2.99Å; P346-S349 VanDerWaalsContact O-CB 3.31Å; P346-S349 WeakPolarHBondContact O-CB 3.5Å; P346-S349 PolarHBondContact O-N 3.16Å; S347-S349 VanDerWaalsContact C-N 3.26Å; S347-S349 PolarHBondContact O-N 3.5Å; S349-F352 WeakPolarHBondContact O-CB 3.45Å; S349-I353 WeakPolarHBondContact O-CG1 3.35Å; S349-I353 PolarHBondContact O-N 3.33Å
350	I	75.8	Confident	77.3	Confident	54 Å²	54	71.1 Å²	71.1	28%	0.277	41%	0.406	S	S	.	.	H	α-helix	trans	-71.1	-46.3	174.8	-61.6	175.1	0	0	0	110	F345 P346 S347 F352 I353 R354	F345-I350 HydrophobicContact CB-CG1 4.35Å; P346-I350 PolarHBondContact O-N 3.15Å; S347-I350 PolarHBondContact O-N 3.08Å; S347-I350 VanDerWaalsContact O-N 3.1Å; I350-F352 VanDerWaalsContact C-N 3.26Å; I350-F352 PolarHBondContact O-N 3.35Å; I350-I353 PolarHBondContact O-N 3.47Å; I350-R354 HydrophobicContact CG2-CG 4.5Å; I350-R354 WeakPolarHBondContact O-CG 3.45Å; I350-R354 PolarHBondContact O-N 3.1Å
351	D	80	Confident	78.6	Confident	80 Å²	80	69.1 Å²	69.1	43%	0.428	39%	0.393	S	S	.	.	H	α-helix	trans	-60.9	-38.9	177.5	-67.7	-27.3	0	0	0	111.3	S347 I353 R354 N355	S347-D351 PolarHBondContact O-N 2.9Å; D351-I353 PolarHBondContact O-N 3.47Å; D351-R354 PolarHBondContact O-N 3Å; D351-N355 WeakPolarHBondContact O-CB 3.27Å; D351-N355 VanDerWaalsContact O-CG 3.25Å; D351-N355 PolarHBondContact O-N 2.88Å; D351-N355 PolarHBondContact O-ND2 2.67Å
352	F	83.1	Confident	79.9	Confident	56 Å²	56	69.7 Å²	69.7	25%	0.246	40%	0.396	C	S	.	.	H	α-helix	trans	-53.8	-52.4	173	173.8	-99.2	0	0	0	112.5	L287 F321 L324 F328 S348 S349 I350 R354 N355 C356	L287-F352 HydrophobicContact CD2-CD1 4.02Å; F321-F352 HydrophobicContact CD2-CD2 4.42Å; F321-F352 HydrophobicContact CD2-CE1 4.42Å; F321-F352 AromaticContact CD2-CE2 3.19Å; F321-F352 HydrophobicContact CD2-CE2 3.19Å; F321-F352 AromaticContact CD2-CZ 3.19Å; F321-F352 HydrophobicContact CD2-CZ 3.19Å; F321-F352 AromaticContact CE2-CE2 3.21Å; F321-F352 HydrophobicContact CE2-CE2 3.21Å; F321-F352 AromaticContact CE2-CZ 3.28Å; F321-F352 HydrophobicContact CE2-CZ 3.28Å; F321-F352 HydrophobicContact CG-CZ 4.41Å; L324-F352 HydrophobicContact CB-CE1 4.44Å; L324-F352 HydrophobicContact CD1-CD1 4.43Å; L324-F352 HydrophobicContact CD1-CE1 3.88Å; F328-F352 HydrophobicContact CE2-CE1 4.38Å; S348-F352 VanDerWaalsContact O-CB 3.27Å; S348-F352 WeakPolarHBondContact O-CB 3.47Å; S348-F352 PolarHBondContact O-N 3.32Å; S349-F352 WeakPolarHBondContact O-CB 3.45Å; I350-F352 VanDerWaalsContact C-N 3.26Å; I350-F352 PolarHBondContact O-N 3.35Å; F352-R354 VanDerWaalsContact C-N 3.34Å; F352-R354 PolarHBondContact O-N 3.16Å; F352-N355 PolarHBondContact O-N 2.83Å; F352-C356 PolarHBondContact O-N 3.19Å; F352-C356 PolarHBondContact O-SG 3.14Å
353	I	82.5	Confident	81.2	Confident	13 Å²	13	75.5 Å²	75.5	7%	0.067	42%	0.423	C	S	.	.	H	α-helix	trans	-66.3	-40.4	-178.3	-57.7	163.9	0	0	0	110.6	L287 F328 P334 L339 L342 S349 I350 D351 N355 C356	L287-I353 HydrophobicContact CD1-CD1 3.69Å; L287-I353 HydrophobicContact CD1-CG1 4.34Å; L287-I353 HydrophobicContact CD2-CD1 4.39Å; L287-I353 HydrophobicContact CD2-CG1 4.31Å; F328-I353 HydrophobicContact CZ-CG1 4.28Å; F328-I353 HydrophobicContact CZ-CG2 4.29Å; P334-I353 HydrophobicContact CG-CG2 3.75Å; L339-I353 HydrophobicContact CD2-CB 4.22Å; L339-I353 HydrophobicContact CD2-CD1 3.71Å; L339-I353 HydrophobicContact CD2-CG2 3.76Å; L342-I353 HydrophobicContact CD1-CD1 3.77Å; S349-I353 WeakPolarHBondContact O-CG1 3.35Å; S349-I353 PolarHBondContact O-N 3.33Å; I350-I353 PolarHBondContact O-N 3.47Å; D351-I353 PolarHBondContact O-N 3.47Å; I353-N355 VanDerWaalsContact C-N 3.26Å; I353-N355 PolarHBondContact O-N 2.92Å; I353-C356 WeakPolarHBondContact O-CB 3.27Å; I353-C356 PolarHBondContact O-N 3Å; I353-C356 VanDerWaalsContact O-N 3.13Å
354	R	81.2	Confident	83.1	Confident	176 Å²	176	73.7 Å²	73.7	66%	0.664	42%	0.419	S	S	*	.	H	α-helix	trans	-62.6	-32	178.7	-74.3	178	173.6	176.7	-1.8	113.2	I350 D351 F352	I350-R354 HydrophobicContact CG2-CG 4.5Å; I350-R354 WeakPolarHBondContact O-CG 3.45Å; I350-R354 PolarHBondContact O-N 3.1Å; D351-R354 PolarHBondContact O-N 3Å; F352-R354 VanDerWaalsContact C-N 3.34Å; F352-R354 PolarHBondContact O-N 3.16Å
355	N	86	Confident	84.6	Confident	136 Å²	136	72.3 Å²	72.3	73%	0.727	40%	0.403	S	S	*	.	H	α-helix	trans	-84.9	-8.7	178	-69.4	-35.1	0	0	0	113.4	D351 F352 I353	D351-N355 WeakPolarHBondContact O-CB 3.27Å; D351-N355 VanDerWaalsContact O-CG 3.25Å; D351-N355 PolarHBondContact O-N 2.88Å; D351-N355 PolarHBondContact O-ND2 2.67Å; F352-N355 PolarHBondContact O-N 2.83Å; I353-N355 VanDerWaalsContact C-N 3.26Å; I353-N355 PolarHBondContact O-N 2.92Å
356	C	86.3	Confident	85.8	Confident	22 Å²	22	71.3 Å²	71.3	15%	0.149	40%	0.399	C	S	.	.	S	Bend	trans	-75.8	142.4	174.2	-69.1	0	0	0	0	110.6	F352 I353 V358	F352-C356 PolarHBondContact O-N 3.19Å; F352-C356 PolarHBondContact O-SG 3.14Å; I353-C356 WeakPolarHBondContact O-CB 3.27Å; I353-C356 PolarHBondContact O-N 3Å; I353-C356 VanDerWaalsContact O-N 3.13Å; C356-V358 PolarHBondContact O-N 3.1Å
357	P	88	Confident	86.8	Confident	90 Å²	90	70.6 Å²	70.6	58%	0.584	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-55.7	137.2	172.2	-24.7	34	0	0	0	111.8	S333 R359	S333-P357 PolarHBondContact OG-O 2.95Å; P357-R359 PolarHBondContact O-N 3.31Å
358	V	90.6	Very high	87.5	Confident	134 Å²	134	74.1 Å²	74.1	81%	0.812	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-71.2	127.4	176	-179.4	0	0	0	0	109.5	S333 C356	S333-V358 WeakPolarHBondContact OG-CA 3.27Å; C356-V358 PolarHBondContact O-N 3.1Å
359	R	93.6	Very high	88.2	Confident	51 Å²	51	71.3 Å²	71.3	19%	0.192	37%	0.372	C	S	.	.			trans	-120.9	139	-178.7	-62.7	173.4	-177.2	112.7	-10.4	110.3	D325 N329 G332 S333 P357	D325-R359 IonicContact OD1-CZ 2.78Å; D325-R359 IonicContact OD1-NH1 3.75Å; D325-R359 IonicContact OD1-NH2 2.67Å; D325-R359 PolarHBondContact OD1-NH2 2.98Å; N329-R359 VanDerWaalsContact OD1-CD 3.26Å; N329-R359 WeakPolarHBondContact OD1-CD 3.36Å; N329-R359 PolarHBondContact OD1-NE 3.28Å; G332-R359 CarbonylContact C-O 3.51Å; G332-R359 WeakPolarHBondContact CA-O 3.12Å; S333-R359 PolarHBondContact N-O 3.48Å; S333-R359 PolarHBondContact OG-N 3.15Å; P357-R359 PolarHBondContact O-N 3.31Å
360	P	94.5	Very high	88.7	Confident	112 Å²	112	70.7 Å²	70.7	73%	0.727	37%	0.367	S	S	*	.			trans	-75.4	163.1	171.5	33.1	-35	0	0	0	111.2	G332 N362	G332-P360 WeakPolarHBondContact CA-O 3.44Å; P360-N362 PolarHBondContact O-N 2.96Å
361	F	95.3	Very high	89	Confident	67 Å²	67	70 Å²	70	29%	0.294	37%	0.366	S	S	.	.			trans	-61	130.5	171.6	-175.5	-87	0	0	0	111	L331 H363 V366 T395	L331-F361 HydrophobicContact CD2-CE2 3.99Å; L331-F361 WeakPolarHBondContact O-CD2 3.13Å; F361-H363 HydrophobicContact CD1-CB 4.48Å; F361-H363 AromaticContact CD1-CD2 3.7Å; F361-H363 AromaticContact CD1-CE1 3.49Å; F361-H363 VanDerWaalsContact CD1-CE1 3.49Å; F361-H363 WeakPolarHBondContact CD1-CE1 3.5Å; F361-H363 AromaticContact CD1-CG 3.69Å; F361-H363 AromaticContact CD1-ND1 3.56Å; F361-H363 AromaticContact CD1-NE2 3.58Å; F361-H363 AromaticContact CE1-CE1 3.83Å; F361-H363 AromaticContact CE1-ND1 3.6Å; F361-H363 PolarHBondContact O-N 2.93Å; F361-V366 HydrophobicContact CE1-CB 4.36Å; F361-V366 HydrophobicContact CE1-CG2 3.94Å; F361-V366 HydrophobicContact CE2-CG2 4.47Å; F361-V366 HydrophobicContact CZ-CB 4.37Å; F361-V366 HydrophobicContact CZ-CG1 4.47Å; F361-V366 HydrophobicContact CZ-CG2 3.66Å; F361-T395 HydrophobicContact CE2-CG2 4.06Å; F361-T395 HydrophobicContact CZ-CG2 3.66Å
362	N	95.4	Very high	88.5	Confident	57 Å²	57	68 Å²	68	31%	0.305	36%	0.357	S	S	.	.			trans	-93	76.4	-173.2	-166.7	-20.2	0	0	0	111.8	N329 L330 P360 A364 A365 V366	N329-N362 VanDerWaalsContact O-CB 3.27Å; N329-N362 WeakPolarHBondContact O-CB 3.49Å; N329-N362 PolarHBondContact O-ND2 3.06Å; N329-N362 VanDerWaalsContact O-ND2 3.12Å; L330-N362 VanDerWaalsContact O-CB 3.29Å; L330-N362 WeakPolarHBondContact O-CB 3.47Å; L330-N362 PolarHBondContact O-N 3Å; L330-N362 VanDerWaalsContact O-N 3.07Å; P360-N362 PolarHBondContact O-N 2.96Å; N362-A364 PolarHBondContact O-N 3.21Å; N362-A365 HydrophobicContact CB-CB 4.03Å; N362-A365 WeakPolarHBondContact ND2-CB 3.38Å; N362-A365 PolarHBondContact O-N 3Å; N362-A365 VanDerWaalsContact O-N 3.12Å; N362-A365 WeakPolarHBondContact OD1-CB 3.43Å; N362-A365 PolarHBondContact OD1-N 3.12Å; N362-V366 PolarHBondContact O-N 3.31Å
363	H	92.7	Very high	87.5	Confident	133 Å²	133	68.2 Å²	68.2	62%	0.616	37%	0.369	S	S	*	.	H	α-helix	trans	-53.3	-37.5	-179.9	-68.6	-80.5	0	0	0	113.3	F361 S367	F361-H363 HydrophobicContact CD1-CB 4.48Å; F361-H363 AromaticContact CD1-CD2 3.7Å; F361-H363 AromaticContact CD1-CE1 3.49Å; F361-H363 VanDerWaalsContact CD1-CE1 3.49Å; F361-H363 WeakPolarHBondContact CD1-CE1 3.5Å; F361-H363 AromaticContact CD1-CG 3.69Å; F361-H363 AromaticContact CD1-ND1 3.56Å; F361-H363 AromaticContact CD1-NE2 3.58Å; F361-H363 AromaticContact CE1-CE1 3.83Å; F361-H363 AromaticContact CE1-ND1 3.6Å; F361-H363 PolarHBondContact O-N 2.93Å; H363-S367 WeakPolarHBondContact O-CB 3.5Å; H363-S367 PolarHBondContact O-N 3.37Å; H363-S367 PolarHBondContact O-OG 2.96Å
364	A	91	Very high	86.3	Confident	62 Å²	62	69.9 Å²	69.9	51%	0.512	38%	0.378	S	S	.	.	H	α-helix	trans	-69.2	-41.3	179.9	0	0	0	0	0	112.3	N362 R368	N362-A364 PolarHBondContact O-N 3.21Å; A364-R368 WeakPolarHBondContact O-CG 3.41Å; A364-R368 PolarHBondContact O-N 3.48Å
365	A	92.4	Very high	85	Confident	13 Å²	13	63.9 Å²	63.9	11%	0.107	36%	0.361	C	S	.	.	H	α-helix	trans	-66.2	-45.5	175.2	0	0	0	0	0	111.8	L330 N362 S367 R368 I369	L330-A365 HydrophobicContact CD1-CB 3.69Å; N362-A365 HydrophobicContact CB-CB 4.03Å; N362-A365 WeakPolarHBondContact ND2-CB 3.38Å; N362-A365 PolarHBondContact O-N 3Å; N362-A365 VanDerWaalsContact O-N 3.12Å; N362-A365 WeakPolarHBondContact OD1-CB 3.43Å; N362-A365 PolarHBondContact OD1-N 3.12Å; A365-S367 VanDerWaalsContact C-N 3.32Å; A365-S367 PolarHBondContact O-N 2.94Å; A365-R368 PolarHBondContact O-N 3.17Å; A365-I369 WeakPolarHBondContact O-CD1 3.44Å; A365-I369 WeakPolarHBondContact O-CG1 3.45Å; A365-I369 PolarHBondContact O-N 3.31Å
366	V	93.9	Very high	83	Confident	3 Å²	3	66.1 Å²	66.1	2%	0.018	37%	0.367	C	S	.	.	H	α-helix	trans	-59.1	-44.6	175.9	172.6	0	0	0	0	110.8	L330 F361 N362 R368 I369 L370 F394	L330-V366 HydrophobicContact CD1-CG2 3.63Å; L330-V366 HydrophobicContact CG-CG2 4.11Å; F361-V366 HydrophobicContact CE1-CB 4.36Å; F361-V366 HydrophobicContact CE1-CG2 3.94Å; F361-V366 HydrophobicContact CE2-CG2 4.47Å; F361-V366 HydrophobicContact CZ-CB 4.37Å; F361-V366 HydrophobicContact CZ-CG1 4.47Å; F361-V366 HydrophobicContact CZ-CG2 3.66Å; N362-V366 PolarHBondContact O-N 3.31Å; V366-R368 VanDerWaalsContact C-N 3.33Å; V366-R368 PolarHBondContact O-N 3.06Å; V366-I369 PolarHBondContact O-N 3.24Å; V366-I369 VanDerWaalsContact O-N 3.17Å; V366-L370 HydrophobicContact CG1-CD1 3.62Å; V366-L370 HydrophobicContact CG1-CG 4.22Å; V366-L370 WeakPolarHBondContact O-CG 3.34Å; V366-L370 PolarHBondContact O-N 2.89Å; V366-F394 HydrophobicContact CG1-CD1 4.17Å; V366-F394 HydrophobicContact CG1-CE1 4.24Å; V366-F394 HydrophobicContact CG2-CE1 4.45Å
367	S	91.1	Very high	80.8	Confident	33 Å²	33	74 Å²	74	23%	0.231	40%	0.395	C	S	.	.	H	α-helix	trans	-61.2	-40.2	177.2	-58.3	0	0	0	0	112.4	H363 A365 I369 L370 V371	H363-S367 WeakPolarHBondContact O-CB 3.5Å; H363-S367 PolarHBondContact O-N 3.37Å; H363-S367 PolarHBondContact O-OG 2.96Å; A365-S367 VanDerWaalsContact C-N 3.32Å; A365-S367 PolarHBondContact O-N 2.94Å; S367-I369 PolarHBondContact O-N 2.65Å; S367-L370 PolarHBondContact O-N 3.04Å; S367-V371 VanDerWaalsContact O-CG2 3.31Å; S367-V371 WeakPolarHBondContact O-CG2 3.45Å; S367-V371 PolarHBondContact O-N 3.18Å
368	R	89	Confident	78.7	Confident	166 Å²	166	75.2 Å²	75.2	63%	0.626	39%	0.392	S	S	*	.	H	α-helix	trans	-65.4	-35.7	175.6	-74.5	-175.3	-64.2	175.1	2	113.2	A364 A365 V366	A364-R368 WeakPolarHBondContact O-CG 3.41Å; A364-R368 PolarHBondContact O-N 3.48Å; A365-R368 PolarHBondContact O-N 3.17Å; V366-R368 VanDerWaalsContact C-N 3.33Å; V366-R368 PolarHBondContact O-N 3.06Å
369	I	91	Very high	76.3	Confident	24 Å²	24	76.4 Å²	76.4	12%	0.123	39%	0.388	C	S	.	.	H	α-helix	trans	-70.2	-39.1	177.5	-70.9	155	0	0	0	111.2	L309 L314 L330 A365 V366 S367 F394	L309-I369 WeakPolarHBondContact CB-O 3.32Å; L314-I369 HydrophobicContact CD1-CD1 3.54Å; L314-I369 HydrophobicContact CD1-CG1 4.17Å; L314-I369 HydrophobicContact CD1-CG2 4.2Å; L330-I369 HydrophobicContact CD1-CD1 3.53Å; L330-I369 HydrophobicContact CD2-CD1 4.03Å; L330-I369 HydrophobicContact CG-CD1 4.46Å; A365-I369 WeakPolarHBondContact O-CD1 3.44Å; A365-I369 WeakPolarHBondContact O-CG1 3.45Å; A365-I369 PolarHBondContact O-N 3.31Å; V366-I369 PolarHBondContact O-N 3.24Å; V366-I369 VanDerWaalsContact O-N 3.17Å; S367-I369 PolarHBondContact O-N 2.65Å; I369-F394 HydrophobicContact CG2-CZ 4.31Å
370	L	90.6	Very high	74.1	Confident	2 Å²	2	76.8 Å²	76.8	1%	0.01	40%	0.399	C	S	.	.	H	α-helix	trans	-87.6	-4.3	-171.8	-61.7	-179.1	0	0	0	114.6	L309 V366 S367 P386 L390 V391 F394	L309-L370 HydrophobicContact CD1-CD2 3.5Å; L309-L370 VanDerWaalsContact CD1-CD2 3.5Å; V366-L370 HydrophobicContact CG1-CD1 3.62Å; V366-L370 HydrophobicContact CG1-CG 4.22Å; V366-L370 WeakPolarHBondContact O-CG 3.34Å; V366-L370 PolarHBondContact O-N 2.89Å; S367-L370 PolarHBondContact O-N 3.04Å; L370-P386 HydrophobicContact CB-CB 3.73Å; L370-P386 HydrophobicContact CB-CG 4.39Å; L370-L390 HydrophobicContact CB-CD2 4.1Å; L370-L390 HydrophobicContact CB-CG 4.46Å; L370-L390 HydrophobicContact CD1-CG 4.37Å; L370-L390 HydrophobicContact CD2-CD1 4.28Å; L370-L390 HydrophobicContact CD2-CD2 4.31Å; L370-L390 HydrophobicContact CD2-CG 4.13Å; L370-V391 HydrophobicContact CD1-CB 4.26Å; L370-V391 HydrophobicContact CD1-CG2 3.78Å; L370-F394 HydrophobicContact CD1-CB 4.11Å; L370-F394 HydrophobicContact CD1-CD1 4.03Å; L370-F394 HydrophobicContact CD1-CG 4.2Å; L370-F394 HydrophobicContact CD2-CB 4.03Å; L370-F394 HydrophobicContact CD2-CD1 4.1Å; L370-F394 HydrophobicContact CD2-CD2 3.88Å; L370-F394 HydrophobicContact CD2-CE2 4.33Å; L370-F394 HydrophobicContact CD2-CG 3.74Å; L370-F394 HydrophobicContact CG-CD1 4.39Å; L370-F394 HydrophobicContact CG-CG 4.46Å
371	V	81.8	Confident	72.1	Confident	40 Å²	40	73.7 Å²	73.7	24%	0.242	38%	0.38	C	S	.	.	S	Bend	trans	-85	118.2	167.2	174	0	0	0	0	108.4	S367 A373	S367-V371 VanDerWaalsContact O-CG2 3.31Å; S367-V371 WeakPolarHBondContact O-CG2 3.45Å; S367-V371 PolarHBondContact O-N 3.18Å; V371-A373 PolarHBondContact O-N 3.39Å
372	P	68.5	Low	70.2	Confident	38 Å²	38	76.3 Å²	76.3	25%	0.247	40%	0.401	C	S	.	.			trans	-57.7	130.2	-175.8	-25	34	0	0	0	112.7	L208 L309 N374 T375	L208-P372 HydrophobicContact CD1-CG 4.26Å; L309-P372 HydrophobicContact CD2-CG 4.26Å; P372-N374 PolarHBondContact O-N 3.07Å; P372-N374 VanDerWaalsContact O-N 3.13Å; P372-T375 PolarHBondContact O-N 3.46Å; P372-T375 PolarHBondContact O-OG1 2.98Å
373	A	63.1	Low	68.3	Low	60 Å²	60	79.6 Å²	79.6	50%	0.496	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-28.2	-175.8	0	0	0	0	0	114	L309 V371 T375	L309-A373 PolarHBondContact O-N 3.39Å; L309-A373 VanDerWaalsContact O-N 3.12Å; V371-A373 PolarHBondContact O-N 3.39Å; A373-T375 PolarHBondContact O-N 3.42Å
374	N	56	Low	66.9	Low	49 Å²	49	76.8 Å²	76.8	26%	0.262	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	11	-176.8	-68.3	-5.3	0	0	0	114.2	Y205 L206 P372 Q376	Y205-N374 HydrophobicContact CD2-CB 3.6Å; Y205-N374 VanDerWaalsContact CD2-ND2 3.26Å; Y205-N374 WeakPolarHBondContact CD2-ND2 3.48Å; Y205-N374 HydrophobicContact CE2-CB 3.37Å; L206-N374 PolarHBondContact N-ND2 2.67Å; P372-N374 PolarHBondContact O-N 3.07Å; P372-N374 VanDerWaalsContact O-N 3.13Å; N374-Q376 PolarHBondContact O-N 3.01Å
375	T	53.4	Low	66.1	Low	50 Å²	50	78.8 Å²	78.8	31%	0.307	41%	0.412	S	S	.	.			trans	-81.8	72.9	172.2	-14.2	0	0	0	0	109	P372 A373 Y377 F378	P372-T375 PolarHBondContact O-N 3.46Å; P372-T375 PolarHBondContact O-OG1 2.98Å; A373-T375 PolarHBondContact O-N 3.42Å; T375-Y377 PolarHBondContact O-N 3.33Å; T375-F378 HydrophobicContact CG2-CD2 3.25Å; T375-F378 HydrophobicContact CG2-CE2 3.46Å; T375-F378 VanDerWaalsContact CG2-CE2 3.46Å; T375-F378 PolarHBondContact O-N 2.99Å
376	Q	44.7	Very low	65.8	Low	182 Å²	182	79 Å²	79	85%	0.85	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-2.5	-179.9	-72.3	-177.4	-21	0	0	114.4	N374	N374-Q376 PolarHBondContact O-N 3.01Å
377	Y	40.1	Very low	65.6	Low	188 Å²	188	81.5 Å²	81.5	74%	0.737	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112	-6.1	-173.7	-78.9	-83.1	0	0	0	115.5	T375	T375-Y377 PolarHBondContact O-N 3.33Å
378	F	43.7	Very low	65.7	Low	116 Å²	116	84.7 Å²	84.7	51%	0.509	45%	0.446	S	S	.	.			trans	-109.7	106.7	-176.6	-63	-63	0	0	0	112.3	T375 S380 N384	T375-F378 HydrophobicContact CG2-CD2 3.25Å; T375-F378 HydrophobicContact CG2-CE2 3.46Å; T375-F378 VanDerWaalsContact CG2-CE2 3.46Å; T375-F378 PolarHBondContact O-N 2.99Å; F378-S380 PolarHBondContact O-N 2.82Å; F378-N384 WeakPolarHBondContact CD1-ND2 3.42Å; F378-N384 WeakPolarHBondContact CE1-ND2 3.12Å; F378-N384 WeakPolarHBondContact CG-ND2 3.33Å
379	Q	40.3	Very low	66	Low	159 Å²	159	79.8 Å²	79.8	74%	0.743	43%	0.432	S	S	*	.			trans	-71.5	117.2	169	-65.8	175.8	-4.9	0	0	107.2
380	S	48.4	Very low	66.2	Low	59 Å²	59	78.8 Å²	78.8	41%	0.413	43%	0.427	S	S	.	.			trans	72.2	135.6	175.1	84.9	0	0	0	0	117.7	F378 T382 E383	F378-S380 PolarHBondContact O-N 2.82Å; S380-T382 WeakPolarHBondContact CB-OG1 3.27Å; S380-T382 PolarHBondContact O-N 3.34Å; S380-T382 PolarHBondContact OG-OG1 3.43Å; S380-E383 PolarHBondContact O-N 2.89Å; S380-E383 WeakPolarHBondContact OG-CG 3.26Å
381	S	52.5	Low	66.5	Low	46 Å²	46	80.7 Å²	80.7	32%	0.322	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-11.4	171.9	57	0	0	0	0	113.5
382	T	53.9	Low	67.2	Low	123 Å²	123	83.7 Å²	83.7	76%	0.755	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-28.7	177.2	36.3	0	0	0	0	112.5	S380	S380-T382 WeakPolarHBondContact CB-OG1 3.27Å; S380-T382 PolarHBondContact O-N 3.34Å; S380-T382 PolarHBondContact OG-OG1 3.43Å
383	E	55.8	Low	68.6	Low	125 Å²	125	81.9 Å²	81.9	58%	0.584	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-29.7	-179.2	-74.8	-178.8	-172.3	0	0	112.8	S380	S380-E383 PolarHBondContact O-N 2.89Å; S380-E383 WeakPolarHBondContact OG-CG 3.26Å
384	N	63.6	Low	70.3	Confident	75 Å²	75	79 Å²	79	40%	0.401	42%	0.418	S	S	.	.	S	Bend	trans	-135.1	94.1	176.9	-72.9	-54.6	0	0	0	110.1	F378	F378-N384 WeakPolarHBondContact CD1-ND2 3.42Å; F378-N384 WeakPolarHBondContact CE1-ND2 3.12Å; F378-N384 WeakPolarHBondContact CG-ND2 3.33Å
385	P	75.5	Confident	72.2	Confident	103 Å²	103	78.6 Å²	78.6	67%	0.669	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-60.3	150.8	174.4	26.7	-33.8	0	0	0	110.3
386	P	85	Confident	74.3	Confident	18 Å²	18	77 Å²	77	12%	0.117	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-61.1	151.3	175.9	29.2	-37.3	0	0	0	110.8	L370 V391	L370-P386 HydrophobicContact CB-CB 3.73Å; L370-P386 HydrophobicContact CB-CG 4.39Å; P386-V391 HydrophobicContact CB-CG2 3.95Å; P386-V391 HydrophobicContact CG-CG2 3.58Å
387	D	89.2	Confident	76.9	Confident	55 Å²	55	68.3 Å²	68.3	29%	0.294	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-50.4	122.4	173.4	-179.9	-18.8	0	0	0	110.1	D389 L390 V391	D387-D389 PolarHBondContact O-N 3.48Å; D387-D389 WeakPolarHBondContact OD1-CB 3.17Å; D387-D389 PolarHBondContact OD1-N 3.25Å; D387-L390 HydrophobicContact CB-CB 3.96Å; D387-L390 VanDerWaalsContact O-CB 3.32Å; D387-L390 WeakPolarHBondContact O-CB 3.37Å; D387-L390 PolarHBondContact O-N 3.1Å; D387-V391 WeakPolarHBondContact O-CG2 3.39Å; D387-V391 PolarHBondContact O-N 3.2Å
388	P	93.1	Very high	79.6	Confident	100 Å²	100	59.5 Å²	59.5	65%	0.649	34%	0.335	S	S	*	.	H	α-helix	trans	-60.2	-30.9	-177.8	24.6	-34.5	0	0	0	112.9	L390 V391 N392	P388-L390 VanDerWaalsContact C-N 3.33Å; P388-V391 PolarHBondContact O-N 2.9Å; P388-N392 WeakPolarHBondContact O-CB 3.24Å; P388-N392 PolarHBondContact O-N 2.71Å
389	D	95.6	Very high	82	Confident	64 Å²	64	55 Å²	55	34%	0.342	32%	0.318	S	S	.	.	H	α-helix	trans	-70.7	-33.5	177.4	-65.1	-39.3	0	0	0	111.2	D387 L393 P415 F416	D387-D389 PolarHBondContact O-N 3.48Å; D387-D389 WeakPolarHBondContact OD1-CB 3.17Å; D387-D389 PolarHBondContact OD1-N 3.25Å; D389-L393 WeakPolarHBondContact O-CB 3.37Å; D389-L393 PolarHBondContact O-N 3.2Å; D389-P415 HydrophobicContact CB-CB 4.27Å; D389-P415 WeakPolarHBondContact OD2-CB 3.35Å; D389-F416 HydrophobicContact CB-CB 3.83Å
390	L	95.7	Very high	84.4	Confident	3 Å²	3	47.9 Å²	47.9	2%	0.016	28%	0.284	C	S	.	.	H	α-helix	trans	-66.8	-44.7	171.8	173.8	55.8	0	0	0	111.3	L305 L309 L370 D387 P388 N392 L393 F394 F416	L305-L390 HydrophobicContact CD1-CD1 3.93Å; L305-L390 HydrophobicContact CD2-CD1 4.02Å; L305-L390 HydrophobicContact CG-CD1 4.32Å; L309-L390 HydrophobicContact CD1-CD1 3.97Å; L309-L390 HydrophobicContact CD1-CD2 3.9Å; L309-L390 HydrophobicContact CD1-CG 4.43Å; L309-L390 HydrophobicContact CD2-CD2 4.39Å; L370-L390 HydrophobicContact CB-CD2 4.1Å; L370-L390 HydrophobicContact CB-CG 4.46Å; L370-L390 HydrophobicContact CD1-CG 4.37Å; L370-L390 HydrophobicContact CD2-CD1 4.28Å; L370-L390 HydrophobicContact CD2-CD2 4.31Å; L370-L390 HydrophobicContact CD2-CG 4.13Å; D387-L390 HydrophobicContact CB-CB 3.96Å; D387-L390 VanDerWaalsContact O-CB 3.32Å; D387-L390 WeakPolarHBondContact O-CB 3.37Å; D387-L390 PolarHBondContact O-N 3.1Å; P388-L390 VanDerWaalsContact C-N 3.33Å; L390-N392 VanDerWaalsContact C-N 3.28Å; L390-N392 PolarHBondContact O-N 3.19Å; L390-L393 PolarHBondContact O-N 3.11Å; L390-F394 VanDerWaalsContact O-CB 3.28Å; L390-F394 WeakPolarHBondContact O-CB 3.45Å; L390-F394 PolarHBondContact O-N 2.85Å; L390-F416 HydrophobicContact CB-CD2 3.61Å; L390-F416 HydrophobicContact CB-CE2 3.64Å; L390-F416 HydrophobicContact CB-CG 4.12Å; L390-F416 HydrophobicContact CB-CZ 4.17Å; L390-F416 HydrophobicContact CD1-CD1 4.15Å; L390-F416 HydrophobicContact CD1-CD2 4.47Å; L390-F416 HydrophobicContact CD1-CE1 3.72Å; L390-F416 HydrophobicContact CD1-CE2 4.07Å; L390-F416 HydrophobicContact CD1-CZ 3.67Å; L390-F416 HydrophobicContact CD2-CE2 4.09Å; L390-F416 HydrophobicContact CD2-CZ 4.15Å; L390-F416 HydrophobicContact CG-CD2 4.5Å; L390-F416 HydrophobicContact CG-CE2 4.13Å; L390-F416 HydrophobicContact CG-CZ 4.2Å
391	V	96	Very high	86.3	Confident	41 Å²	41	45 Å²	45	25%	0.248	27%	0.265	C	S	.	.	H	α-helix	trans	-59.5	-43.1	176.7	178.6	0	0	0	0	110.5	L370 P386 D387 P388 F394 T395	L370-V391 HydrophobicContact CD1-CB 4.26Å; L370-V391 HydrophobicContact CD1-CG2 3.78Å; P386-V391 HydrophobicContact CB-CG2 3.95Å; P386-V391 HydrophobicContact CG-CG2 3.58Å; D387-V391 WeakPolarHBondContact O-CG2 3.39Å; D387-V391 PolarHBondContact O-N 3.2Å; P388-V391 PolarHBondContact O-N 2.9Å; V391-F394 PolarHBondContact O-N 3.1Å; V391-T395 HydrophobicContact CG1-CG2 4.32Å; V391-T395 WeakPolarHBondContact O-CB 3.26Å; V391-T395 WeakPolarHBondContact O-CG2 3.3Å; V391-T395 PolarHBondContact O-N 3.14Å; V391-T395 PolarHBondContact O-OG1 2.87Å
392	N	97.1	Very high	88	Confident	103 Å²	103	44.4 Å²	44.4	55%	0.551	26%	0.26	S	S	*	.	H	α-helix	trans	-63	-49.6	178	-171.7	-61.1	0	0	0	111.6	P388 L390 F394 T395 G396	P388-N392 WeakPolarHBondContact O-CB 3.24Å; P388-N392 PolarHBondContact O-N 2.71Å; L390-N392 VanDerWaalsContact C-N 3.28Å; L390-N392 PolarHBondContact O-N 3.19Å; N392-F394 PolarHBondContact O-N 3.26Å; N392-T395 PolarHBondContact O-OG1 3.29Å; N392-G396 PolarHBondContact O-N 3.33Å
393	L	98.3	Very high	89.6	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-59.3	-47	177.1	178.4	60.8	0	0	0	111.7	V215 L305 D389 L390 G396 L397 L406 A411 F416 L417	V215-L393 HydrophobicContact CG1-CD2 4.43Å; L305-L393 HydrophobicContact CD2-CD2 4.18Å; L305-L393 HydrophobicContact CD2-CG 4.17Å; D389-L393 WeakPolarHBondContact O-CB 3.37Å; D389-L393 PolarHBondContact O-N 3.2Å; L390-L393 PolarHBondContact O-N 3.11Å; L393-G396 PolarHBondContact O-N 2.97Å; L393-L397 HydrophobicContact CD1-CD1 3.86Å; L393-L397 HydrophobicContact CD1-CG 4.12Å; L393-L397 HydrophobicContact CG-CD1 3.99Å; L393-L397 WeakPolarHBondContact O-CB 3.47Å; L393-L397 VanDerWaalsContact O-CG 3.25Å; L393-L397 WeakPolarHBondContact O-CG 3.25Å; L393-L397 PolarHBondContact O-N 2.79Å; L393-L406 HydrophobicContact CD1-CD1 4.08Å; L393-A411 HydrophobicContact CD1-CB 3.91Å; L393-F416 HydrophobicContact CD2-CD1 3.77Å; L393-L417 HydrophobicContact CD2-CD1 4.14Å; L393-L417 HydrophobicContact CD2-CD2 4.11Å; L393-L417 HydrophobicContact CD2-CG 3.97Å
394	F	98.1	Very high	91.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.4	-48.9	-178.2	179.8	-103.3	0	0	0	112.3	G302 L305 L314 L330 V366 I369 L370 L390 V391 N392 L397 L398	G302-F394 WeakPolarHBondContact O-CE2 3.38Å; L305-F394 HydrophobicContact CD2-CB 4.11Å; L305-F394 HydrophobicContact CD2-CD2 4.14Å; L305-F394 HydrophobicContact CG-CD2 4.26Å; L314-F394 HydrophobicContact CD2-CE2 4.08Å; L314-F394 HydrophobicContact CD2-CZ 3.83Å; L330-F394 HydrophobicContact CD2-CZ 4.46Å; V366-F394 HydrophobicContact CG1-CD1 4.17Å; V366-F394 HydrophobicContact CG1-CE1 4.24Å; V366-F394 HydrophobicContact CG2-CE1 4.45Å; I369-F394 HydrophobicContact CG2-CZ 4.31Å; L370-F394 HydrophobicContact CD1-CB 4.11Å; L370-F394 HydrophobicContact CD1-CD1 4.03Å; L370-F394 HydrophobicContact CD1-CG 4.2Å; L370-F394 HydrophobicContact CD2-CB 4.03Å; L370-F394 HydrophobicContact CD2-CD1 4.1Å; L370-F394 HydrophobicContact CD2-CD2 3.88Å; L370-F394 HydrophobicContact CD2-CE2 4.33Å; L370-F394 HydrophobicContact CD2-CG 3.74Å; L370-F394 HydrophobicContact CG-CD1 4.39Å; L370-F394 HydrophobicContact CG-CG 4.46Å; L390-F394 VanDerWaalsContact O-CB 3.28Å; L390-F394 WeakPolarHBondContact O-CB 3.45Å; L390-F394 PolarHBondContact O-N 2.85Å; V391-F394 PolarHBondContact O-N 3.1Å; N392-F394 PolarHBondContact O-N 3.26Å; F394-L397 PolarHBondContact O-N 2.91Å; F394-L398 HydrophobicContact CD1-CD1 4.29Å; F394-L398 HydrophobicContact CD2-CD1 4.21Å; F394-L398 HydrophobicContact CE1-CD1 3.69Å; F394-L398 HydrophobicContact CE2-CD1 3.6Å; F394-L398 HydrophobicContact CZ-CD1 3.32Å; F394-L398 WeakPolarHBondContact O-CB 3.35Å; F394-L398 PolarHBondContact O-N 3.38Å
395	T	96.9	Very high	92.8	Very high	41 Å²	41	38.8 Å²	38.8	25%	0.252	23%	0.231	S	C	.	.	H	α-helix	trans	-71.9	-31.2	-179.6	56	0	0	0	0	112.5	F361 V391 N392 L398 S399	F361-T395 HydrophobicContact CE2-CG2 4.06Å; F361-T395 HydrophobicContact CZ-CG2 3.66Å; V391-T395 HydrophobicContact CG1-CG2 4.32Å; V391-T395 WeakPolarHBondContact O-CB 3.26Å; V391-T395 WeakPolarHBondContact O-CG2 3.3Å; V391-T395 PolarHBondContact O-N 3.14Å; V391-T395 PolarHBondContact O-OG1 2.87Å; N392-T395 PolarHBondContact O-OG1 3.29Å; T395-L398 CarbonylContact O-C 3.37Å; T395-L398 PolarHBondContact O-N 2.8Å; T395-S399 PolarHBondContact O-N 3.02Å
396	G	97.8	Very high	93.9	Very high	15 Å²	15	35.5 Å²	35.5	16%	0.155	21%	0.207	C	C	.	.	H	α-helix	trans	-67.8	-37.4	172.8	0	0	0	0	0	113.5	N392 L393 R405 L406	N392-G396 PolarHBondContact O-N 3.33Å; L393-G396 PolarHBondContact O-N 2.97Å; G396-R405 WeakPolarHBondContact O-CA 3.38Å; G396-L406 PolarHBondContact O-N 2.88Å
397	L	98.4	Very high	94.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-70.7	-32.5	173	-72	169.6	0	0	0	112.2	Q298 W299 V301 L305 L393 F394 R405 L406 A411	Q298-L397 HydrophobicContact CB-CD2 4.15Å; W299-L397 WeakPolarHBondContact CA-O 3.36Å; V301-L397 HydrophobicContact CB-CD1 4.43Å; V301-L397 HydrophobicContact CB-CD2 4.46Å; V301-L397 HydrophobicContact CG1-CD1 3.96Å; L305-L397 HydrophobicContact CD2-CD1 4.25Å; L393-L397 HydrophobicContact CD1-CD1 3.86Å; L393-L397 HydrophobicContact CD1-CG 4.12Å; L393-L397 HydrophobicContact CG-CD1 3.99Å; L393-L397 WeakPolarHBondContact O-CB 3.47Å; L393-L397 VanDerWaalsContact O-CG 3.25Å; L393-L397 WeakPolarHBondContact O-CG 3.25Å; L393-L397 PolarHBondContact O-N 2.79Å; F394-L397 PolarHBondContact O-N 2.91Å; L397-R405 WeakPolarHBondContact O-CD 3.23Å; L397-R405 VanDerWaalsContact O-CG 3.24Å; L397-R405 WeakPolarHBondContact O-CG 3.25Å; L397-L406 HydrophobicContact CD2-CB 4.33Å; L397-A411 HydrophobicContact CD2-CB 4.17Å
398	L	97.2	Very high	94.9	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.016	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	28.8	178	-63.6	-177	0	0	0	113.5	W299 L314 F315 L331 F394 T395	W299-L398 HydrophobicContact CD2-CD2 3.78Å; W299-L398 HydrophobicContact CE3-CD2 4.02Å; W299-L398 HydrophobicContact CG-CD2 4.19Å; W299-L398 HydrophobicContact CH2-CD2 4.37Å; W299-L398 HydrophobicContact CZ2-CD2 4.14Å; W299-L398 HydrophobicContact CZ3-CB 4.29Å; W299-L398 HydrophobicContact CZ3-CD2 4.32Å; W299-L398 WeakPolarHBondContact CZ3-O 3.2Å; L314-L398 HydrophobicContact CD2-CD1 3.91Å; F315-L398 HydrophobicContact CZ-CD1 4.46Å; L331-L398 HydrophobicContact CD1-CB 3.99Å; L331-L398 VanDerWaalsContact CD1-O 3.31Å; L331-L398 WeakPolarHBondContact CD1-O 3.24Å; L331-L398 HydrophobicContact CD2-CB 4.34Å; F394-L398 HydrophobicContact CD1-CD1 4.29Å; F394-L398 HydrophobicContact CD2-CD1 4.21Å; F394-L398 HydrophobicContact CE1-CD1 3.69Å; F394-L398 HydrophobicContact CE2-CD1 3.6Å; F394-L398 HydrophobicContact CZ-CD1 3.32Å; F394-L398 WeakPolarHBondContact O-CB 3.35Å; F394-L398 PolarHBondContact O-N 3.38Å; T395-L398 CarbonylContact O-C 3.37Å; T395-L398 PolarHBondContact O-N 2.8Å
399	S	94.4	Very high	94.9	Very high	21 Å²	21	35 Å²	35	15%	0.147	20%	0.198	C	C	.	.			trans	-69.2	136.2	174	-170.1	0	0	0	0	111.3	T395 R405	T395-S399 PolarHBondContact O-N 3.02Å; S399-R405 PolarHBondContact O-NE 3.46Å; S399-R405 PolarHBondContact O-NH2 3.07Å
400	F	90.6	Very high	95	Very high	10 Å²	10	37 Å²	37	4%	0.044	21%	0.206	C	C	.	.	S	Bend	trans	-61.5	-45.6	175.4	-77.7	-70.6	0	0	0	111.8	P283 I327 F328 L331 G332 P334 E338 S402 R405	P283-F400 HydrophobicContact CB-CD1 4.46Å; P283-F400 HydrophobicContact CG-CD1 3.92Å; P283-F400 HydrophobicContact CG-CE1 4.09Å; I327-F400 HydrophobicContact CG2-CE1 3.58Å; I327-F400 HydrophobicContact CG2-CZ 3.78Å; F328-F400 AromaticContact CD1-CE1 3.84Å; F328-F400 HydrophobicContact CD1-CE1 3.84Å; F328-F400 AromaticContact CD1-CZ 3.74Å; F328-F400 HydrophobicContact CD1-CZ 3.74Å; F328-F400 AromaticContact CE1-CE1 3.65Å; F328-F400 HydrophobicContact CE1-CE1 3.65Å; F328-F400 HydrophobicContact CE1-CZ 4.02Å; L331-F400 HydrophobicContact CB-CE2 3.7Å; L331-F400 HydrophobicContact CB-CZ 3.88Å; L331-F400 HydrophobicContact CD1-CE2 4.36Å; L331-F400 HydrophobicContact CD1-CZ 4.24Å; G332-F400 WeakPolarHBondContact O-CE2 3.49Å; G332-F400 WeakPolarHBondContact O-CZ 3.44Å; P334-F400 HydrophobicContact CB-CB 4.34Å; P334-F400 HydrophobicContact CB-CD1 4.32Å; P334-F400 HydrophobicContact CB-CD2 4.16Å; P334-F400 HydrophobicContact CB-CG 4.02Å; E338-F400 HydrophobicContact CB-CB 4.24Å; E338-F400 HydrophobicContact CG-CB 4.44Å; F400-S402 PolarHBondContact O-N 3.16Å; F400-R405 PolarHBondContact O-NH2 3.36Å
401	S	88.3	Confident	95.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	-72.6	116.6	178.7	166.8	0	0	0	0	110.2	D341 S403 K404 R405	D341-S401 WeakPolarHBondContact CB-OG 3.27Å; D341-S401 VanDerWaalsContact CG-OG 3.25Å; D341-S401 VanDerWaalsContact OD2-CB 3.27Å; D341-S401 WeakPolarHBondContact OD2-CB 3.5Å; D341-S401 PolarHBondContact OD2-OG 3.41Å; S401-S403 PolarHBondContact O-N 3.12Å; S401-S403 PolarHBondContact OG-OG 2.93Å; S401-K404 PolarHBondContact O-N 2.85Å; S401-K404 VanDerWaalsContact O-N 3.15Å; S401-K404 WeakPolarHBondContact OG-CG 3.47Å; S401-K404 PolarHBondContact OG-N 3.14Å; S401-R405 WeakPolarHBondContact O-CB 3.48Å; S401-R405 PolarHBondContact O-N 2.79Å
402	S	87.7	Confident	95.1	Very high	33 Å²	33	35 Å²	35	23%	0.231	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-27.5	178.8	65.2	0	0	0	0	113.1	A295 F400	A295-S402 WeakPolarHBondContact CB-O 3.41Å; F400-S402 PolarHBondContact O-N 3.16Å
403	S	87.7	Confident	95	Very high	86 Å²	86	35.1 Å²	35.1	60%	0.601	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-26.1	177.8	60.6	0	0	0	0	113.2	D341 S401	D341-S403 PolarHBondContact OD2-OG 3.43Å; S401-S403 PolarHBondContact O-N 3.12Å; S401-S403 PolarHBondContact OG-OG 2.93Å
404	K	91.6	Very high	94.8	Very high	115 Å²	115	35.7 Å²	35.7	50%	0.5	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-16.7	175.5	-63.3	176.3	-174.3	166.7	0	113.3	D341 S401	D341-K404 IonicContact OD2-NZ 2.86Å; S401-K404 PolarHBondContact O-N 2.85Å; S401-K404 VanDerWaalsContact O-N 3.15Å; S401-K404 WeakPolarHBondContact OG-CG 3.47Å; S401-K404 PolarHBondContact OG-N 3.14Å
405	R	95.2	Very high	94.7	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.015	22%	0.219	C	C	.	.	S	Bend	trans	-61.5	136.8	176.8	-163.9	178.6	-61.9	146.7	4.6	110.2	E284 A295 Q298 G396 L397 S399 F400 S401 T407	E284-R405 IonicContact OE1-CZ 3.88Å; E284-R405 IonicContact OE1-NH1 2.71Å; E284-R405 PolarHBondContact OE1-NH1 2.79Å; E284-R405 IonicContact OE1-NH2 2.66Å; E284-R405 PolarHBondContact OE1-NH2 3.36Å; E284-R405 IonicContact OE2-CZ 2.74Å; E284-R405 IonicContact OE2-NH1 3.19Å; E284-R405 IonicContact OE2-NH2 3.45Å; E284-R405 PolarHBondContact OE2-NH2 2.88Å; A295-R405 VanDerWaalsContact C-NH1 3.33Å; A295-R405 HydrophobicContact CB-CB 4.5Å; A295-R405 VanDerWaalsContact O-CD 3.27Å; A295-R405 WeakPolarHBondContact O-CD 3.31Å; A295-R405 PolarHBondContact O-NH1 3.21Å; Q298-R405 HydrophobicContact CB-CG 4.28Å; G396-R405 WeakPolarHBondContact O-CA 3.38Å; L397-R405 WeakPolarHBondContact O-CD 3.23Å; L397-R405 VanDerWaalsContact O-CG 3.24Å; L397-R405 WeakPolarHBondContact O-CG 3.25Å; S399-R405 PolarHBondContact O-NE 3.46Å; S399-R405 PolarHBondContact O-NH2 3.07Å; F400-R405 PolarHBondContact O-NH2 3.36Å; S401-R405 WeakPolarHBondContact O-CB 3.48Å; S401-R405 PolarHBondContact O-N 2.79Å; R405-T407 PolarHBondContact O-N 3.5Å
406	L	98	Very high	94.6	Very high	33 Å²	33	37.1 Å²	37.1	17%	0.173	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-57.6	129.5	-178.9	-67.7	174.6	0	0	0	110.8	Q298 L393 G396 L397 Q410 A411	Q298-L406 WeakPolarHBondContact CB-O 3.44Å; Q298-L406 WeakPolarHBondContact CG-O 3.3Å; L393-L406 HydrophobicContact CD1-CD1 4.08Å; G396-L406 PolarHBondContact O-N 2.88Å; L397-L406 HydrophobicContact CD2-CB 4.33Å; L406-Q410 HydrophobicContact CD2-CB 3.94Å; L406-A411 HydrophobicContact CB-CB 4.24Å
407	T	97.3	Very high	94.4	Very high	69 Å²	69	36.4 Å²	36.4	42%	0.423	20%	0.2	S	C	.	.	P	Polyproline II helix	trans	-71.7	164	166.2	61.6	0	0	0	0	110.7	R405 E409 Q410 A411	R405-T407 PolarHBondContact O-N 3.5Å; T407-E409 PolarHBondContact O-N 3.39Å; T407-Q410 PolarHBondContact O-N 3.31Å; T407-Q410 VanDerWaalsContact OG1-CD 3.31Å; T407-Q410 VanDerWaalsContact OG1-CG 3.3Å; T407-Q410 WeakPolarHBondContact OG1-CG 3.22Å; T407-Q410 PolarHBondContact OG1-N 2.98Å; T407-Q410 PolarHBondContact OG1-OE1 3.05Å; T407-A411 VanDerWaalsContact O-CB 3.31Å; T407-A411 WeakPolarHBondContact O-CB 3.43Å; T407-A411 PolarHBondContact O-N 3.03Å
408	A	97.2	Very high	94	Very high	3 Å²	3	40.5 Å²	40.5	3%	0.025	22%	0.221	C	C	.	.	H	α-helix	trans	-55.4	-39.1	176.2	0	0	0	0	0	112.3	L222 K223 L412	L222-A408 HydrophobicContact CB-CB 4.13Å; K223-A408 HydrophobicContact CB-CB 3.86Å; A408-L412 WeakPolarHBondContact O-CB 3.4Å; A408-L412 WeakPolarHBondContact O-CD1 3.27Å; A408-L412 WeakPolarHBondContact O-CG 3.41Å; A408-L412 PolarHBondContact O-N 3.32Å
409	E	94.6	Very high	93.4	Very high	92 Å²	92	41.1 Å²	41.1	43%	0.43	23%	0.229	S	C	.	.	H	α-helix	trans	-67.2	-49.5	178.8	-178.2	154.3	-125.5	0	0	112.1	K223 T407 A411 L412 D413	K223-E409 HydrophobicContact CD-CB 4.41Å; K223-E409 WeakPolarHBondContact CE-OE1 3.39Å; K223-E409 IonicContact NZ-OE1 2.79Å; K223-E409 PolarHBondContact NZ-OE1 3Å; T407-E409 PolarHBondContact O-N 3.39Å; E409-A411 VanDerWaalsContact C-N 3.32Å; E409-A411 PolarHBondContact O-N 2.98Å; E409-L412 WeakPolarHBondContact O-CB 3.31Å; E409-L412 PolarHBondContact O-N 3.41Å; E409-D413 PolarHBondContact O-N 3.25Å
410	Q	96.4	Very high	93.2	Very high	105 Å²	105	40.1 Å²	40.1	49%	0.491	22%	0.222	S	C	.	.	H	α-helix	trans	-62	-40.1	176.7	-69	163.5	-34.9	0	0	112.1	L406 T407 D413	L406-Q410 HydrophobicContact CD2-CB 3.94Å; T407-Q410 PolarHBondContact O-N 3.31Å; T407-Q410 VanDerWaalsContact OG1-CD 3.31Å; T407-Q410 VanDerWaalsContact OG1-CG 3.3Å; T407-Q410 WeakPolarHBondContact OG1-CG 3.22Å; T407-Q410 PolarHBondContact OG1-N 2.98Å; T407-Q410 PolarHBondContact OG1-OE1 3.05Å; Q410-D413 PolarHBondContact O-N 2.93Å
411	A	98.1	Very high	93.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-65.8	-38	177.3	0	0	0	0	0	112	L219 L393 L397 L406 T407 E409 D413 S414 L417	L219-A411 HydrophobicContact CD1-CB 3.7Å; L219-A411 HydrophobicContact CD2-CB 3.78Å; L219-A411 HydrophobicContact CG-CB 4.37Å; L393-A411 HydrophobicContact CD1-CB 3.91Å; L397-A411 HydrophobicContact CD2-CB 4.17Å; L406-A411 HydrophobicContact CB-CB 4.24Å; T407-A411 VanDerWaalsContact O-CB 3.31Å; T407-A411 WeakPolarHBondContact O-CB 3.43Å; T407-A411 PolarHBondContact O-N 3.03Å; E409-A411 VanDerWaalsContact C-N 3.32Å; E409-A411 PolarHBondContact O-N 2.98Å; A411-D413 PolarHBondContact O-N 3.18Å; A411-S414 WeakPolarHBondContact O-CB 3.4Å; A411-S414 PolarHBondContact O-N 3.44Å; A411-S414 VanDerWaalsContact O-N 3.12Å; A411-L417 WeakPolarHBondContact O-CD1 3.46Å
412	L	96.3	Very high	93	Very high	3 Å²	3	42 Å²	42	2%	0.016	23%	0.23	C	C	.	.	H	α-helix	trans	-62.3	-27.4	175.3	-79.9	164.5	0	0	0	113	Y216 L219 R220 K223 A408 E409 S414 R421 E518	Y216-L412 HydrophobicContact CD2-CD2 3.5Å; Y216-L412 VanDerWaalsContact CD2-CD2 3.5Å; Y216-L412 HydrophobicContact CE2-CD2 3.6Å; Y216-L412 HydrophobicContact CG-CD2 4.46Å; L219-L412 HydrophobicContact CB-CD1 4.43Å; L219-L412 HydrophobicContact CB-CD2 3.71Å; L219-L412 HydrophobicContact CB-CG 3.76Å; R220-L412 HydrophobicContact CG-CD2 4.05Å; K223-L412 HydrophobicContact CB-CD1 4.03Å; K223-L412 HydrophobicContact CD-CD1 3.76Å; A408-L412 WeakPolarHBondContact O-CB 3.4Å; A408-L412 WeakPolarHBondContact O-CD1 3.27Å; A408-L412 WeakPolarHBondContact O-CG 3.41Å; A408-L412 PolarHBondContact O-N 3.32Å; E409-L412 WeakPolarHBondContact O-CB 3.31Å; E409-L412 PolarHBondContact O-N 3.41Å; L412-S414 VanDerWaalsContact C-N 3.3Å; L412-R421 PolarHBondContact O-NH2 3.41Å; L412-E518 HydrophobicContact CD1-CB 4.36Å; L412-E518 HydrophobicContact CD1-CG 4.19Å
413	D	94.1	Very high	92.8	Very high	105 Å²	105	41.6 Å²	41.6	56%	0.561	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.3	1.4	177.9	-70.6	-23.5	0	0	0	113.7	E409 Q410 A411 R421	E409-D413 PolarHBondContact O-N 3.25Å; Q410-D413 PolarHBondContact O-N 2.93Å; A411-D413 PolarHBondContact O-N 3.18Å; D413-R421 IonicContact OD1-NH2 3.34Å; D413-R421 PolarHBondContact OD1-NH2 3.49Å
414	S	95.7	Very high	92.8	Very high	11 Å²	11	37.6 Å²	37.6	8%	0.077	20%	0.195	C	C	.	.			trans	-57.8	130.7	171.5	175.8	0	0	0	0	111.5	A411 L412 F416 L417	A411-S414 WeakPolarHBondContact O-CB 3.4Å; A411-S414 PolarHBondContact O-N 3.44Å; A411-S414 VanDerWaalsContact O-N 3.12Å; L412-S414 VanDerWaalsContact C-N 3.3Å; S414-F416 PolarHBondContact O-N 3.24Å; S414-F416 VanDerWaalsContact O-N 3.16Å; S414-F416 PolarHBondContact OG-N 2.83Å; S414-L417 PolarHBondContact O-N 3.16Å
415	P	95.1	Very high	92.5	Very high	67 Å²	67	32.2 Å²	32.2	44%	0.435	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-56.7	-31	176	-25.6	34.2	0	0	0	113.6	D389 L417 I418	D389-P415 HydrophobicContact CB-CB 4.27Å; D389-P415 WeakPolarHBondContact OD2-CB 3.35Å; P415-L417 PolarHBondContact O-N 3.43Å; P415-L417 VanDerWaalsContact O-N 3.15Å; P415-I418 HydrophobicContact CB-CD1 4.16Å; P415-I418 WeakPolarHBondContact O-CB 3.46Å; P415-I418 VanDerWaalsContact O-CG1 3.26Å; P415-I418 WeakPolarHBondContact O-CG1 3.13Å; P415-I418 PolarHBondContact O-N 3.3Å; P415-I418 VanDerWaalsContact O-N 3.11Å
416	F	94.9	Very high	91.9	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.018	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-56.5	-32.5	176.5	-179.5	-106.9	0	0	0	112.9	L208 K212 D389 L390 L393 S414	L208-F416 HydrophobicContact CD1-CE2 4.13Å; L208-F416 HydrophobicContact CD1-CZ 3.75Å; L208-F416 HydrophobicContact CD2-CE2 4.34Å; L208-F416 HydrophobicContact CG-CE2 4.39Å; L208-F416 HydrophobicContact CG-CZ 4.28Å; K212-F416 HydrophobicContact CD-CE2 4.48Å; K212-F416 HydrophobicContact CD-CZ 4.38Å; K212-F416 WeakPolarHBondContact CD-O 3.38Å; K212-F416 VanDerWaalsContact CE-CE2 3.49Å; K212-F416 WeakPolarHBondContact CE-O 3.36Å; K212-F416 HydrophobicContact CG-CD1 4.23Å; K212-F416 HydrophobicContact CG-CE1 3.67Å; K212-F416 HydrophobicContact CG-CE2 4.22Å; K212-F416 HydrophobicContact CG-CZ 3.66Å; D389-F416 HydrophobicContact CB-CB 3.83Å; L390-F416 HydrophobicContact CB-CD2 3.61Å; L390-F416 HydrophobicContact CB-CE2 3.64Å; L390-F416 HydrophobicContact CB-CG 4.12Å; L390-F416 HydrophobicContact CB-CZ 4.17Å; L390-F416 HydrophobicContact CD1-CD1 4.15Å; L390-F416 HydrophobicContact CD1-CD2 4.47Å; L390-F416 HydrophobicContact CD1-CE1 3.72Å; L390-F416 HydrophobicContact CD1-CE2 4.07Å; L390-F416 HydrophobicContact CD1-CZ 3.67Å; L390-F416 HydrophobicContact CD2-CE2 4.09Å; L390-F416 HydrophobicContact CD2-CZ 4.15Å; L390-F416 HydrophobicContact CG-CD2 4.5Å; L390-F416 HydrophobicContact CG-CE2 4.13Å; L390-F416 HydrophobicContact CG-CZ 4.2Å; L393-F416 HydrophobicContact CD2-CD1 3.77Å; S414-F416 PolarHBondContact O-N 3.24Å; S414-F416 VanDerWaalsContact O-N 3.16Å; S414-F416 PolarHBondContact OG-N 2.83Å
417	L	94.4	Very high	91	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-89.3	-1	-177.2	-62.3	-177.3	0	0	0	114.2	V215 L219 L393 A411 S414 P415 G419 G420 R421	V215-L417 HydrophobicContact CB-CD2 4.19Å; V215-L417 HydrophobicContact CG1-CD1 4.36Å; V215-L417 HydrophobicContact CG1-CD2 4Å; L219-L417 HydrophobicContact CD1-CD1 3.48Å; L219-L417 VanDerWaalsContact CD1-CD1 3.48Å; L393-L417 HydrophobicContact CD2-CD1 4.14Å; L393-L417 HydrophobicContact CD2-CD2 4.11Å; L393-L417 HydrophobicContact CD2-CG 3.97Å; A411-L417 WeakPolarHBondContact O-CD1 3.46Å; S414-L417 PolarHBondContact O-N 3.16Å; P415-L417 PolarHBondContact O-N 3.43Å; P415-L417 VanDerWaalsContact O-N 3.15Å; L417-G419 VanDerWaalsContact C-N 3.26Å; L417-G419 PolarHBondContact O-N 2.86Å; L417-G420 PolarHBondContact O-N 2.97Å; L417-G420 VanDerWaalsContact O-N 3.1Å; L417-R421 WeakPolarHBondContact O-CB 3.38Å; L417-R421 PolarHBondContact O-N 3.13Å
418	I	89.7	Confident	90.4	Very high	86 Å²	86	33.3 Å²	33.3	44%	0.441	18%	0.18	S	C	.	.	H	α-helix	trans	-53.4	-44.9	177.2	-71.8	172.1	0	0	0	111.1	P415 R421 A422 T507	P415-I418 HydrophobicContact CB-CD1 4.16Å; P415-I418 WeakPolarHBondContact O-CB 3.46Å; P415-I418 VanDerWaalsContact O-CG1 3.26Å; P415-I418 WeakPolarHBondContact O-CG1 3.13Å; P415-I418 PolarHBondContact O-N 3.3Å; P415-I418 VanDerWaalsContact O-N 3.11Å; I418-R421 PolarHBondContact O-N 3.12Å; I418-A422 WeakPolarHBondContact O-CB 3.4Å; I418-A422 PolarHBondContact O-N 3.5Å; I418-T507 HydrophobicContact CG2-CG2 3.78Å
419	G	85.3	Confident	89.8	Confident	17 Å²	17	34.3 Å²	34.3	18%	0.175	19%	0.187	C	C	.	.	H	α-helix	trans	-64.7	-43.4	177.7	0	0	0	0	0	112.9	L417 A422 R423	L417-G419 VanDerWaalsContact C-N 3.26Å; L417-G419 PolarHBondContact O-N 2.86Å; G419-A422 PolarHBondContact O-N 3.48Å; G419-R423 WeakPolarHBondContact O-CG 3.36Å; G419-R423 PolarHBondContact O-N 2.98Å
420	G	88.9	Confident	89	Confident	0 Å²	0	36 Å²	36	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.1	-44.1	176.2	0	0	0	0	0	112.3	L417 R423 F424	L417-G420 PolarHBondContact O-N 2.97Å; L417-G420 VanDerWaalsContact O-N 3.1Å; G420-R423 PolarHBondContact O-N 2.86Å; G420-F424 PolarHBondContact O-N 3.05Å
421	R	89.8	Confident	88	Confident	43 Å²	43	34.8 Å²	34.8	16%	0.162	21%	0.211	C	C	.	.	H	α-helix	trans	-57.4	-53.5	174.5	-179.7	-177.9	-63.7	-157	6	111.3	Y216 L412 D413 L417 I418 R423 F424 H425 I510	Y216-R421 HydrophobicContact CD2-CB 4.06Å; Y216-R421 HydrophobicContact CE1-CB 4.33Å; Y216-R421 HydrophobicContact CE2-CB 3.62Å; Y216-R421 HydrophobicContact CE2-CG 3.84Å; Y216-R421 WeakPolarHBondContact OH-CG 3.37Å; L412-R421 PolarHBondContact O-NH2 3.41Å; D413-R421 IonicContact OD1-NH2 3.34Å; D413-R421 PolarHBondContact OD1-NH2 3.49Å; L417-R421 WeakPolarHBondContact O-CB 3.38Å; L417-R421 PolarHBondContact O-N 3.13Å; I418-R421 PolarHBondContact O-N 3.12Å; R421-R423 VanDerWaalsContact C-N 3.34Å; R421-R423 PolarHBondContact O-N 3.25Å; R421-F424 PolarHBondContact O-N 3.42Å; R421-H425 PolarHBondContact O-CD2 3.34Å; R421-H425 VanDerWaalsContact O-CD2 3.26Å; R421-H425 PolarHBondContact O-N 3.48Å; R421-H425 VanDerWaalsContact O-N 3.1Å; R421-I510 HydrophobicContact CG-CD1 4.08Å
422	A	85.1	Confident	86.8	Confident	6 Å²	6	36 Å²	36	5%	0.05	22%	0.219	C	C	.	.	H	α-helix	trans	-60.4	-41.2	-179.9	0	0	0	0	0	112.4	I418 G419 H425 T426 M504 V505 T507	I418-A422 WeakPolarHBondContact O-CB 3.4Å; I418-A422 PolarHBondContact O-N 3.5Å; G419-A422 PolarHBondContact O-N 3.48Å; A422-H425 PolarHBondContact O-N 3.49Å; A422-T426 WeakPolarHBondContact O-CB 3.41Å; A422-T426 PolarHBondContact O-N 3.48Å; A422-T426 PolarHBondContact O-OG1 3.27Å; A422-M504 HydrophobicContact CB-CE 3.45Å; A422-M504 VanDerWaalsContact CB-CE 3.45Å; A422-V505 WeakPolarHBondContact CB-O 3.45Å; A422-T507 HydrophobicContact CB-CG2 4.08Å
423	R	83.8	Confident	85.4	Confident	24 Å²	24	39.9 Å²	39.9	9%	0.091	25%	0.245	C	C	.	.	H	α-helix	trans	-63.8	-48.4	176.4	-71.7	-173.8	-164.7	-80.1	-6	112.1	E209 L213 G419 G420 R421 H425 T426 C427 M504	E209-R423 IonicContact OE2-CZ 3.89Å; E209-R423 IonicContact OE2-NE 2.89Å; E209-R423 PolarHBondContact OE2-NE 3.48Å; E209-R423 IonicContact OE2-NH2 3.52Å; E209-R423 PolarHBondContact OE2-NH2 3.25Å; L213-R423 HydrophobicContact CD1-CB 4.36Å; G419-R423 WeakPolarHBondContact O-CG 3.36Å; G419-R423 PolarHBondContact O-N 2.98Å; G420-R423 PolarHBondContact O-N 2.86Å; R421-R423 VanDerWaalsContact C-N 3.34Å; R421-R423 PolarHBondContact O-N 3.25Å; R423-H425 VanDerWaalsContact C-N 3.29Å; R423-H425 PolarHBondContact O-N 3.06Å; R423-T426 WeakPolarHBondContact O-CA 3.43Å; R423-T426 WeakPolarHBondContact O-CB 3.27Å; R423-T426 PolarHBondContact O-N 3.2Å; R423-C427 PolarHBondContact O-N 3.33Å; R423-C427 PolarHBondContact O-SG 3.38Å; R423-M504 HydrophobicContact CB-CE 4.46Å; R423-M504 HydrophobicContact CG-CE 3.47Å; R423-M504 VanDerWaalsContact CG-CE 3.47Å; R423-M504 HydrophobicContact CG-SD 4.25Å
424	F	87.8	Confident	84	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.009	26%	0.257	C	S	.	.	H	α-helix	trans	-54.1	-47.8	178.1	179.9	-94.5	0	0	0	111.7	L213 Y216 Q217 R220 L247 G420 R421 T426 C427 L428 C429	L213-F424 HydrophobicContact CD1-CB 3.87Å; L213-F424 HydrophobicContact CD1-CD2 4.49Å; Y216-F424 HydrophobicContact CD1-CB 3.84Å; Y216-F424 HydrophobicContact CD1-CG 4.19Å; Y216-F424 HydrophobicContact CE1-CB 3.49Å; Y216-F424 VanDerWaalsContact CE1-CB 3.49Å; Y216-F424 AromaticContact CE1-CD1 3.83Å; Y216-F424 HydrophobicContact CE1-CD1 3.83Å; Y216-F424 HydrophobicContact CE1-CD2 4.44Å; Y216-F424 AromaticContact CE1-CG 3.66Å; Y216-F424 HydrophobicContact CE1-CG 3.66Å; Q217-F424 HydrophobicContact CG-CD2 3.76Å; Q217-F424 HydrophobicContact CG-CE2 4.01Å; R220-F424 VanDerWaalsContact NH1-CZ 3.29Å; L247-F424 HydrophobicContact CD1-CE2 4.5Å; G420-F424 PolarHBondContact O-N 3.05Å; R421-F424 PolarHBondContact O-N 3.42Å; F424-T426 PolarHBondContact O-N 3.23Å; F424-C427 PolarHBondContact O-N 2.96Å; F424-L428 HydrophobicContact CD2-CB 3.73Å; F424-L428 HydrophobicContact CD2-CD1 4.07Å; F424-L428 HydrophobicContact CE2-CB 3.88Å; F424-L428 HydrophobicContact CG-CB 4.39Å; F424-L428 CarbonylContact O-C 3.45Å; F424-L428 WeakPolarHBondContact O-CA 3.47Å; F424-L428 PolarHBondContact O-N 3.02Å; F424-C429 HydrophobicContact CD1-CB 3.93Å; F424-C429 HydrophobicContact CE1-CB 3.6Å; F424-C429 HydrophobicContact CZ-CB 4.31Å; F424-C429 PolarHBondContact O-N 2.98Å
425	H	85.2	Confident	82.1	Confident	2 Å²	2	45.2 Å²	45.2	1%	0.009	27%	0.272	C	S	.	.	H	α-helix	trans	-73.3	-12.7	178.9	-73.3	-72.3	0	0	0	114.3	Y216 R421 A422 R423 C429 C431 C432 I510 E518	Y216-H425 PolarHBondContact OH-NE2 3.2Å; Y216-H425 VanDerWaalsContact OH-NE2 3.09Å; R421-H425 PolarHBondContact O-CD2 3.34Å; R421-H425 VanDerWaalsContact O-CD2 3.26Å; R421-H425 PolarHBondContact O-N 3.48Å; R421-H425 VanDerWaalsContact O-N 3.1Å; A422-H425 PolarHBondContact O-N 3.49Å; R423-H425 VanDerWaalsContact C-N 3.29Å; R423-H425 PolarHBondContact O-N 3.06Å; H425-C429 VanDerWaalsContact CA-SG 3.59Å; H425-C429 PolarHBondContact O-SG 3.02Å; H425-C429 VanDerWaalsContact O-SG 3.37Å; H425-C431 PolarHBondContact ND1-SG 3.21Å; H425-C432 WeakPolarHBondContact O-CB 3.39Å; H425-I510 HydrophobicContact CB-CD1 4.09Å; H425-I510 HydrophobicContact CB-CG1 4.21Å; H425-I510 HydrophobicContact CB-CG2 4.3Å; H425-E518 IonicContact NE2-OE1 3.47Å
426	T	81.7	Confident	79.9	Confident	30 Å²	30	47.7 Å²	47.7	18%	0.184	28%	0.281	C	S	.	.	H	α-helix	trans	-85.4	-40	175.1	-58.6	0	0	0	0	112.3	A422 R423 F424 L499 V505	A422-T426 WeakPolarHBondContact O-CB 3.41Å; A422-T426 PolarHBondContact O-N 3.48Å; A422-T426 PolarHBondContact O-OG1 3.27Å; R423-T426 WeakPolarHBondContact O-CA 3.43Å; R423-T426 WeakPolarHBondContact O-CB 3.27Å; R423-T426 PolarHBondContact O-N 3.2Å; F424-T426 PolarHBondContact O-N 3.23Å; T426-L499 HydrophobicContact CG2-CD1 4.15Å; T426-V505 HydrophobicContact CG2-CG2 4.49Å; T426-V505 PolarHBondContact OG1-N 3.31Å
427	C	79.6	Confident	77.5	Confident	63 Å²	63	54.7 Å²	54.7	43%	0.426	31%	0.314	S	S	.	.	H	α-helix	trans	-129.4	-15.5	-168.7	59.8	0	0	0	0	116.6	R423 F424	R423-C427 PolarHBondContact O-N 3.33Å; R423-C427 PolarHBondContact O-SG 3.38Å; F424-C427 PolarHBondContact O-N 2.96Å
428	L	84.5	Confident	74.8	Confident	36 Å²	36	59.8 Å²	59.8	19%	0.188	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	-24.7	-173.2	-65	178.9	0	0	0	114.6	L213 D245 F424	L213-L428 HydrophobicContact CD1-CD1 4.19Å; L213-L428 HydrophobicContact CD2-CD1 4.02Å; L213-L428 HydrophobicContact CG-CD1 4.48Å; D245-L428 HydrophobicContact CB-CD2 4Å; D245-L428 WeakPolarHBondContact O-CD2 3.47Å; F424-L428 HydrophobicContact CD2-CB 3.73Å; F424-L428 HydrophobicContact CD2-CD1 4.07Å; F424-L428 HydrophobicContact CE2-CB 3.88Å; F424-L428 HydrophobicContact CG-CB 4.39Å; F424-L428 CarbonylContact O-C 3.45Å; F424-L428 WeakPolarHBondContact O-CA 3.47Å; F424-L428 PolarHBondContact O-N 3.02Å
429	C	84.6	Confident	72.4	Confident	24 Å²	24	58.8 Å²	58.8	16%	0.162	34%	0.342	C	S	.	.			trans	-74.2	152.3	-177.9	84.4	0	0	0	0	112	F424 H425 C432	F424-C429 HydrophobicContact CD1-CB 3.93Å; F424-C429 HydrophobicContact CE1-CB 3.6Å; F424-C429 HydrophobicContact CZ-CB 4.31Å; F424-C429 PolarHBondContact O-N 2.98Å; H425-C429 VanDerWaalsContact CA-SG 3.59Å; H425-C429 PolarHBondContact O-SG 3.02Å; H425-C429 VanDerWaalsContact O-SG 3.37Å; C429-C432 WeakPolarHBondContact SG-CB 3.35Å; C429-C432 PolarHBondContact SG-N 2.99Å
430	S	78.5	Confident	70.2	Confident	129 Å²	129	61.9 Å²	61.9	90%	0.902	35%	0.354	S	S	*	.	S	Bend	trans	-92.6	-8	170.1	54.8	0	0	0	0	113.5
431	C	75	Confident	67.6	Low	79 Å²	79	67.8 Å²	67.8	53%	0.534	38%	0.384	S	S	.	.	S	Bend	trans	-89.3	-23.9	-173.5	63.2	0	0	0	0	113.9	H425	H425-C431 PolarHBondContact ND1-SG 3.21Å
432	C	73	Confident	64.9	Low	25 Å²	25	72 Å²	72	17%	0.169	41%	0.41	C	S	.	.	S	Bend	trans	-91.8	142.8	176.6	-63.2	0	0	0	0	110.6	H425 C429	H425-C432 WeakPolarHBondContact O-CB 3.39Å; C429-C432 WeakPolarHBondContact SG-CB 3.35Å; C429-C432 PolarHBondContact SG-N 2.99Å
433	P	67.2	Low	62.4	Low	84 Å²	84	76.7 Å²	76.7	55%	0.545	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-61.9	136.4	176.2	24.5	-31.4	0	0	0	110.3	R435	P433-R435 PolarHBondContact O-N 2.99Å
434	P	63.7	Low	60	Low	127 Å²	127	80.4 Å²	80.4	83%	0.825	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-60.9	129.3	176.7	22.5	-30.4	0	0	0	109.8	N436	P434-N436 PolarHBondContact O-N 3.4Å
435	R	55.6	Low	57.5	Low	102 Å²	102	83.1 Å²	83.1	39%	0.385	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-63.5	134	171.1	-86.2	-169.7	175.7	-155	5.9	108.8	P433 Q437 L503	P433-R435 PolarHBondContact O-N 2.99Å; R435-Q437 PolarHBondContact O-N 3.48Å; R435-L503 PolarHBondContact NH1-O 3.39Å; R435-L503 VanDerWaalsContact NH1-O 3.16Å; R435-L503 PolarHBondContact NH2-O 3.16Å
436	N	49.1	Very low	55.2	Low	118 Å²	118	88.5 Å²	88.5	63%	0.631	52%	0.521	S	S	*	.			trans	-62.2	106	171.4	-161.5	-3.9	0	0	0	107.8	P434 N438 S439	P434-N436 PolarHBondContact O-N 3.4Å; N436-N438 PolarHBondContact O-N 3.34Å; N436-S439 PolarHBondContact O-N 3.12Å; N436-S439 PolarHBondContact O-OG 2.71Å; N436-S439 VanDerWaalsContact O-OG 3.12Å
437	Q	45.1	Very low	53.1	Low	152 Å²	152	93.7 Å²	93.7	71%	0.71	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-21.7	-174.5	-72.2	-178.4	-2.3	0	0	112.8	R435 S439 I440	R435-Q437 PolarHBondContact O-N 3.48Å; Q437-S439 PolarHBondContact O-N 2.75Å; Q437-I440 WeakPolarHBondContact O-CB 3.46Å; Q437-I440 PolarHBondContact O-N 2.78Å
438	N	38.5	Very low	50.7	Low	106 Å²	106	96.9 Å²	96.9	57%	0.567	55%	0.546	S	S	*	.	H	α-helix	trans	-60.5	-24.4	175.4	-69.4	-6.3	0	0	0	114.2	N436 I440	N436-N438 PolarHBondContact O-N 3.34Å; N438-I440 PolarHBondContact O-N 3.26Å
439	S	39.4	Very low	48.1	Very low	66 Å²	66	105 Å²	105	46%	0.462	57%	0.574	S	S	.	*	H	α-helix	trans	-74.6	-14.1	174.7	68	0	0	0	0	113.2	N436 Q437	N436-S439 PolarHBondContact O-N 3.12Å; N436-S439 PolarHBondContact O-OG 2.71Å; N436-S439 VanDerWaalsContact O-OG 3.12Å; Q437-S439 PolarHBondContact O-N 2.75Å
440	I	37.3	Very low	45.6	Very low	82 Å²	82	109 Å²	109	42%	0.421	59%	0.594	S	S	.	*	H	α-helix	trans	-81.6	-26.4	178.7	-57	173.7	0	0	0	110.6	Q437 N438	Q437-I440 WeakPolarHBondContact O-CB 3.46Å; Q437-I440 PolarHBondContact O-N 2.78Å; N438-I440 PolarHBondContact O-N 3.26Å
441	I	36.2	Very low	43.5	Very low	123 Å²	123	105.7 Å²	105.7	63%	0.631	57%	0.568	S	S	*	*	H	α-helix	trans	-88.2	-27.4	-175.8	-56.3	176.2	0	0	0	112
442	N	32.9	Very low	41.4	Very low	132 Å²	132	105.8 Å²	105.8	71%	0.706	57%	0.566	S	S	*	*	S	Bend	trans	-90.6	-1.8	-173.6	-77.7	-2.6	0	0	0	115.6	S444	N442-S444 PolarHBondContact O-N 2.8Å
443	D	32.3	Very low	39.4	Very low	104 Å²	104	109.6 Å²	109.6	56%	0.556	59%	0.585	S	S	*	*			trans	-81.6	62.8	167.5	-159	-6.2	0	0	0	110.2	S445	D443-S445 PolarHBondContact O-N 3.18Å; D443-S445 PolarHBondContact OD1-OG 3.05Å
444	S	32.9	Very low	37.8	Very low	102 Å²	102	112.4 Å²	112.4	71%	0.713	59%	0.591	S	S	*	*			trans	-88.9	41.2	171.4	36.5	0	0	0	0	110.5	N442 S446	N442-S444 PolarHBondContact O-N 2.8Å; S444-S446 PolarHBondContact O-N 3.15Å
445	S	34.7	Very low	36.4	Very low	60 Å²	60	109.3 Å²	109.3	42%	0.42	57%	0.569	S	S	.	*			trans	-59.3	123.6	161.4	50	0	0	0	0	107.8	D443 H447 W448	D443-S445 PolarHBondContact O-N 3.18Å; D443-S445 PolarHBondContact OD1-OG 3.05Å; S445-H447 PolarHBondContact O-N 3.08Å; S445-W448 PolarHBondContact O-N 3.34Å
446	S	38.2	Very low	35.2	Very low	115 Å²	115	109.3 Å²	109.3	80%	0.804	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.5	14	-166.9	48	0	0	0	0	115.9	S444	S444-S446 PolarHBondContact O-N 3.15Å
447	H	36.1	Very low	34.4	Very low	139 Å²	139	113.9 Å²	113.9	64%	0.644	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	-23.1	174.5	-141.6	65.2	0	0	0	112.8	S445 N450	S445-H447 PolarHBondContact O-N 3.08Å; H447-N450 PolarHBondContact O-N 3.49Å
448	W	29	Very low	33.6	Very low	130 Å²	130	113.1 Å²	113.1	49%	0.492	58%	0.582	S	S	.	*	H	α-helix	trans	-84.5	-15.9	-169	-59.5	111.9	0	0	0	116.4	S445 N450 V451 T452	S445-W448 PolarHBondContact O-N 3.34Å; W448-N450 PolarHBondContact O-N 2.94Å; W448-V451 HydrophobicContact CE3-CB 4.09Å; W448-V451 HydrophobicContact CE3-CG2 3.95Å; W448-V451 HydrophobicContact CZ3-CB 4.48Å; W448-V451 HydrophobicContact CZ3-CG2 4.12Å; W448-V451 PolarHBondContact O-N 3.24Å; W448-T452 PolarHBondContact O-N 3.22Å; W448-T452 VanDerWaalsContact O-N 3.1Å; W448-T452 PolarHBondContact O-OG1 3.18Å
449	R	30.2	Very low	33.2	Very low	205 Å²	205	115.3 Å²	115.3	77%	0.774	59%	0.588	S	S	*	*	H	α-helix	trans	-64.8	-25.4	170.2	-85.2	-171.7	-170	131.5	3.6	112.3	N453	R449-N453 WeakPolarHBondContact O-CB 3.27Å; R449-N453 PolarHBondContact O-N 3Å; R449-N453 PolarHBondContact O-ND2 3.26Å
450	N	33.5	Very low	32.5	Very low	110 Å²	110	119 Å²	119	59%	0.588	60%	0.602	S	S	*	*	H	α-helix	trans	-81.3	-35.5	178.2	-70.4	-11.4	0	0	0	112.1	H447 W448 N453 Q454	H447-N450 PolarHBondContact O-N 3.49Å; W448-N450 PolarHBondContact O-N 2.94Å; N450-N453 PolarHBondContact O-N 2.97Å; N450-Q454 PolarHBondContact O-N 3.23Å
451	V	33.4	Very low	31.9	Very low	59 Å²	59	120.1 Å²	120.1	36%	0.358	61%	0.613	S	S	.	*	H	α-helix	trans	-71.9	-40.9	177.2	-176.9	0	0	0	0	111.4	W448 N453 Q454 V455	W448-V451 HydrophobicContact CE3-CB 4.09Å; W448-V451 HydrophobicContact CE3-CG2 3.95Å; W448-V451 HydrophobicContact CZ3-CB 4.48Å; W448-V451 HydrophobicContact CZ3-CG2 4.12Å; W448-V451 PolarHBondContact O-N 3.24Å; V451-N453 VanDerWaalsContact C-N 3.3Å; V451-N453 PolarHBondContact O-N 3.31Å; V451-Q454 PolarHBondContact O-N 3.37Å; V451-V455 HydrophobicContact CG1-CG2 4.22Å; V451-V455 WeakPolarHBondContact O-CB 3.49Å; V451-V455 VanDerWaalsContact O-CG2 3.24Å; V451-V455 WeakPolarHBondContact O-CG2 3.43Å; V451-V455 PolarHBondContact O-N 2.92Å
452	T	31.4	Very low	31.4	Very low	80 Å²	80	118.9 Å²	118.9	49%	0.491	62%	0.621	S	S	.	*	H	α-helix	trans	-64.9	-33.8	173.9	35	0	0	0	0	112.5	W448 N456	W448-T452 PolarHBondContact O-N 3.22Å; W448-T452 VanDerWaalsContact O-N 3.1Å; W448-T452 PolarHBondContact O-OG1 3.18Å; T452-N456 VanDerWaalsContact O-CB 3.32Å; T452-N456 WeakPolarHBondContact O-CB 3.3Å; T452-N456 PolarHBondContact O-N 3.41Å; T452-N456 PolarHBondContact O-ND2 3.09Å
453	N	31	Very low	31.1	Very low	106 Å²	106	117.2 Å²	117.2	57%	0.567	62%	0.615	S	S	*	*	H	α-helix	trans	-75.2	-29.6	174.4	-78.1	-19.4	0	0	0	113.9	R449 N450 V451	R449-N453 WeakPolarHBondContact O-CB 3.27Å; R449-N453 PolarHBondContact O-N 3Å; R449-N453 PolarHBondContact O-ND2 3.26Å; N450-N453 PolarHBondContact O-N 2.97Å; V451-N453 VanDerWaalsContact C-N 3.3Å; V451-N453 PolarHBondContact O-N 3.31Å
454	Q	33.6	Very low	30.7	Very low	143 Å²	143	115 Å²	115	67%	0.668	62%	0.616	S	S	*	*	H	α-helix	trans	-73.2	-37.9	171.4	-93	-179.8	-26.1	0	0	112.2	N450 V451 R457	N450-Q454 PolarHBondContact O-N 3.23Å; V451-Q454 PolarHBondContact O-N 3.37Å; Q454-R457 PolarHBondContact O-N 3.42Å
455	V	34.4	Very low	30.3	Very low	61 Å²	61	116 Å²	116	37%	0.37	62%	0.624	S	S	.	*	H	α-helix	trans	-74.9	-35.6	-179.8	177.7	0	0	0	0	111.7	V451 R457 H458 H459	V451-V455 HydrophobicContact CG1-CG2 4.22Å; V451-V455 WeakPolarHBondContact O-CB 3.49Å; V451-V455 VanDerWaalsContact O-CG2 3.24Å; V451-V455 WeakPolarHBondContact O-CG2 3.43Å; V451-V455 PolarHBondContact O-N 2.92Å; V455-R457 PolarHBondContact O-N 3.23Å; V455-H458 PolarHBondContact O-N 3.01Å; V455-H459 PolarHBondContact O-N 3.37Å
456	N	30.9	Very low	29.9	Very low	103 Å²	103	119.8 Å²	119.8	55%	0.551	64%	0.644	S	S	*	*	H	α-helix	trans	-67.9	-19.7	175.4	-81.3	-19.2	0	0	0	113.8	T452	T452-N456 VanDerWaalsContact O-CB 3.32Å; T452-N456 WeakPolarHBondContact O-CB 3.3Å; T452-N456 PolarHBondContact O-N 3.41Å; T452-N456 PolarHBondContact O-ND2 3.09Å
457	R	31.1	Very low	29.3	Very low	214 Å²	214	116.9 Å²	116.9	81%	0.808	63%	0.632	S	S	*	*	H	α-helix	trans	-81.5	-18	173.2	-87.4	-169.8	175.7	175.7	0.3	114.4	Q454 V455	Q454-R457 PolarHBondContact O-N 3.42Å; V455-R457 PolarHBondContact O-N 3.23Å
458	H	29.4	Very low	28.7	Very low	135 Å²	135	117.1 Å²	117.1	63%	0.625	64%	0.644	S	S	*	*	H	α-helix	trans	-108.2	-6.6	-175.6	-76.8	-72.3	0	0	0	115.8	V455	V455-H458 PolarHBondContact O-N 3.01Å
459	H	29.2	Very low	28.6	Very low	153 Å²	153	119.4 Å²	119.4	71%	0.708	67%	0.665	S	S	*	*	S	Bend	trans	-130.2	7.7	-174.2	-76	-51.7	0	0	0	117.6	V455	V455-H459 PolarHBondContact O-N 3.37Å
460	L	24.3	Very low	28.3	Very low	144 Å²	144	114.6 Å²	114.6	75%	0.754	66%	0.662	S	S	*	*			trans	-108.7	18.4	169.6	-85.6	169	0	0	0	114.2	A462	L460-A462 PolarHBondContact O-N 2.95Å
461	V	25.2	Very low	27.8	Very low	105 Å²	105	114.7 Å²	114.7	64%	0.636	67%	0.672	S	S	*	*			trans	-82.3	82.8	159.9	-147.1	0	0	0	0	107.3	V463	V461-V463 HydrophobicContact CB-CG2 3.63Å; V461-V463 HydrophobicContact CG1-CB 4.2Å; V461-V463 HydrophobicContact CG1-CG2 3.14Å; V461-V463 PolarHBondContact O-N 3.43Å
462	A	25.5	Very low	27.5	Very low	97 Å²	97	117.7 Å²	117.7	80%	0.802	70%	0.695	S	S	*	*			trans	-60	77.7	147.5	0	0	0	0	0	106.3	L460 G464	L460-A462 PolarHBondContact O-N 2.95Å; A462-G464 PolarHBondContact O-N 3.04Å
463	V	26.3	Very low	27.1	Very low	96 Å²	96	118.1 Å²	118.1	58%	0.582	72%	0.716	S	S	*	*			trans	-71.2	88.8	175	-172.7	0	0	0	0	105.7	V461 V466	V461-V463 HydrophobicContact CB-CG2 3.63Å; V461-V463 HydrophobicContact CG1-CB 4.2Å; V461-V463 HydrophobicContact CG1-CG2 3.14Å; V461-V463 PolarHBondContact O-N 3.43Å; V463-V466 HydrophobicContact CG1-CG2 4.47Å
464	G	24.1	Very low	27	Very low	57 Å²	57	116.4 Å²	116.4	59%	0.588	72%	0.723	S	S	*	*			trans	-53.8	146.1	152.4	0	0	0	0	0	109.6	A462	A462-G464 PolarHBondContact O-N 3.04Å
465	S	24.8	Very low	26.7	Very low	125 Å²	125	116.3 Å²	116.3	87%	0.874	73%	0.732	S	S	*	*			trans	66.1	70.7	161.6	-51.5	0	0	0	0	115.7	G467	S465-G467 PolarHBondContact O-N 3.35Å
466	V	26.9	Very low	26.3	Very low	138 Å²	138	118.7 Å²	118.7	84%	0.836	75%	0.75	S	S	*	*			trans	-82.4	102.7	154.5	-170.7	0	0	0	0	108.4	V463	V463-V466 HydrophobicContact CG1-CG2 4.47Å
467	G	25	Very low	26.2	Very low	55 Å²	55	119.9 Å²	119.9	57%	0.567	76%	0.763	S	S	*	*			trans	62	99.9	131.5	0	0	0	0	0	117.7	S465 L469	S465-G467 PolarHBondContact O-N 3.35Å; G467-L469 PolarHBondContact O-N 2.89Å; G467-L469 VanDerWaalsContact O-N 3.08Å
468	T	24	Very low	25.8	Very low	144 Å²	144	114.6 Å²	114.6	88%	0.883	76%	0.759	S	S	*	*			trans	-30.4	105.8	149.1	41.4	0	0	0	0	113.3
469	L	26	Very low	25.6	Very low	177 Å²	177	113 Å²	113	93%	0.927	76%	0.762	S	S	*	*			trans	-102.3	105.4	151.6	-81.1	167.1	0	0	0	107.4	G467	G467-L469 PolarHBondContact O-N 2.89Å; G467-L469 VanDerWaalsContact O-N 3.08Å
470	S	23.8	Very low	25.4	Very low	104 Å²	104	113.5 Å²	113.5	73%	0.727	77%	0.769	S	S	*	*			trans	-64.7	144.2	176.5	34.9	0	0	0	0	112.9
471	S	23.4	Very low	25.5	Very low	112 Å²	112	115 Å²	115	78%	0.783	77%	0.772	S	S	*	*			trans	63.5	105.1	151.3	68	0	0	0	0	119.8
472	S	27.4	Very low	25.4	Very low	122 Å²	122	114.6 Å²	114.6	85%	0.853	77%	0.774	S	S	*	*				-170.2	128.7	113.5	53.7	0	0	0	0	109.3
473	G	23.9	Very low	25.4	Very low	90 Å²	90	114 Å²	114	93%	0.928	77%	0.765	S	S	*	*			trans	-64.9	138.4	-168.6	0	0	0	0	0	114.8
474	G	26.9	Very low	25.4	Very low	70 Å²	70	118.1 Å²	118.1	72%	0.722	78%	0.779	S	S	*	*			trans	-148.7	107.3	159.7	0	0	0	0	0	106.9
475	T	27.4	Very low	25.5	Very low	140 Å²	140	122.7 Å²	122.7	86%	0.859	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-57.7	133.9	176.5	30	0	0	0	0	110.6
476	P	26	Very low	25.7	Very low	112 Å²	112	119.9 Å²	119.9	73%	0.727	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-82.4	143.3	-176.3	31.5	-31.6	0	0	0	111.2
477	P	29.4	Very low	25.6	Very low	128 Å²	128	122.2 Å²	122.2	83%	0.831	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-70.7	132.4	167.8	29	-29.8	0	0	0	109.7
478	S	23.6	Very low	26	Very low	103 Å²	103	123.5 Å²	123.5	72%	0.72	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-61.3	140.5	177	47.5	0	0	0	0	113.5
479	S	24.4	Very low	26.6	Very low	100 Å²	100	127.5 Å²	127.5	70%	0.699	77%	0.771	S	S	*	*			trans	46.6	117.8	144.2	60	0	0	0	0	118.9
480	L	25.8	Very low	27.5	Very low	164 Å²	164	125 Å²	125	86%	0.859	76%	0.758	S	S	*	*				-175.7	115.7	119.4	-93.5	154.1	0	0	0	110.4	S482	L480-S482 PolarHBondContact O-N 3.43Å
481	H	25.6	Very low	28.7	Very low	175 Å²	175	122.5 Å²	122.5	81%	0.81	74%	0.737	S	S	*	*			trans	29.4	88.5	147.5	-100.9	-101.2	0	0	0	118
482	S	24.4	Very low	30.2	Very low	97 Å²	97	122.1 Å²	122.1	68%	0.678	73%	0.729	S	S	*	*			trans	-124.9	66.3	157.8	168.3	0	0	0	0	109.4	L480	L480-S482 PolarHBondContact O-N 3.43Å
483	S	25.2	Very low	31.5	Very low	86 Å²	86	117.2 Å²	117.2	60%	0.601	69%	0.694	S	S	*	*			trans	-102.9	56.1	170.6	53.9	0	0	0	0	111
484	M	25	Very low	32.9	Very low	181 Å²	181	121.5 Å²	121.5	89%	0.892	68%	0.682	S	S	*	*			trans	-140.2	40.3	163.9	-79.5	-68.1	146.6	0	0	110.2	S486	M484-S486 PolarHBondContact O-N 3.49Å
485	L	26	Very low	34	Very low	154 Å²	154	119 Å²	119	81%	0.806	65%	0.652	S	S	*	*			trans	-66.2	92.9	163	-79.3	168.2	0	0	0	107.1	Q487	L485-Q487 PolarHBondContact O-N 3.34Å
486	S	29.4	Very low	34.8	Very low	65 Å²	65	115.6 Å²	115.6	46%	0.455	63%	0.632	S	S	.	*			trans	-49.9	124.8	168.9	90.7	0	0	0	0	106.9	K112 M484 S488	K112-S486 VanDerWaalsContact NZ-CB 3.34Å; K112-S486 PolarHBondContact NZ-OG 3.07Å; M484-S486 PolarHBondContact O-N 3.49Å; S486-S488 PolarHBondContact O-N 3.29Å
487	Q	25.8	Very low	35.8	Very low	187 Å²	187	113.3 Å²	113.3	87%	0.874	61%	0.613	S	S	*	*			trans	-60.1	84.1	170.3	-67.3	174.6	1.1	0	0	107.6	L485 R489	L485-Q487 PolarHBondContact O-N 3.34Å; Q487-R489 VanDerWaalsContact C-N 3.34Å; Q487-R489 PolarHBondContact O-N 3.38Å
488	S	32.4	Very low	36.6	Very low	83 Å²	83	115.9 Å²	115.9	58%	0.58	61%	0.612	S	S	*	*			trans	-66.2	103	162.3	50.6	0	0	0	0	104.2	S486 D490	S486-S488 PolarHBondContact O-N 3.29Å; S488-D490 PolarHBondContact O-N 3.32Å
489	R	36.4	Very low	37.8	Very low	227 Å²	227	112.1 Å²	112.1	86%	0.857	58%	0.583	S	S	*	*			trans	-53.1	116.1	162.2	-70	-179.4	177.3	174.6	-1.2	105.2	Q487 I491	Q487-R489 VanDerWaalsContact C-N 3.34Å; Q487-R489 PolarHBondContact O-N 3.38Å; R489-I491 PolarHBondContact O-N 2.92Å
490	D	46.2	Very low	38.6	Very low	124 Å²	124	108.9 Å²	108.9	66%	0.663	56%	0.561	S	S	*	*			trans	-57.2	106.7	176.9	-73	-38.7	0	0	0	107.6	S488 T492	S488-D490 PolarHBondContact O-N 3.32Å; D490-T492 VanDerWaalsContact C-N 3.32Å; D490-T492 PolarHBondContact O-N 3.39Å
491	I	49	Very low	39.8	Very low	53 Å²	53	106 Å²	106	27%	0.272	55%	0.552	S	S	.	*			trans	-70.1	90.7	-178	-66.8	154.3	0	0	0	107.2	D193 Q204 R489 L493	D193-I491 HydrophobicContact CB-CD1 3.67Å; D193-I491 HydrophobicContact CB-CG1 4.38Å; D193-I491 HydrophobicContact CB-CG2 4.38Å; Q204-I491 VanDerWaalsContact NE2-C 3.26Å; Q204-I491 PolarHBondContact NE2-O 3.41Å; Q204-I491 PolarHBondContact OE1-O 2.85Å; R489-I491 PolarHBondContact O-N 2.92Å; I491-L493 PolarHBondContact O-N 2.76Å; I491-L493 VanDerWaalsContact O-N 3.12Å
492	T	54.6	Low	40.8	Very low	103 Å²	103	105.6 Å²	105.6	63%	0.632	55%	0.55	S	S	*	*			trans	-64.8	116.3	175.6	-46.6	0	0	0	0	108.7	D490 R494	D490-T492 VanDerWaalsContact C-N 3.32Å; D490-T492 PolarHBondContact O-N 3.39Å; T492-R494 WeakPolarHBondContact O-CG 3.27Å; T492-R494 PolarHBondContact O-N 2.6Å
493	L	54.3	Low	42.1	Very low	19 Å²	19	102.9 Å²	102.9	10%	0.099	53%	0.528	C	S	.	.			trans	-58.1	111.3	174	-64.6	-178.5	0	0	0	109.2	I199 L206 F214 V242 I491 I495	I199-L493 HydrophobicContact CD1-CD1 4.42Å; I199-L493 HydrophobicContact CD1-CD2 4.04Å; I199-L493 HydrophobicContact CG2-CD1 4.04Å; L206-L493 HydrophobicContact CD1-CD1 4.41Å; F214-L493 HydrophobicContact CE2-CD1 4.36Å; F214-L493 HydrophobicContact CZ-CD1 4.18Å; V242-L493 HydrophobicContact CG1-CD2 4.38Å; I491-L493 PolarHBondContact O-N 2.76Å; I491-L493 VanDerWaalsContact O-N 3.12Å; L493-I495 VanDerWaalsContact C-N 3.27Å; L493-I495 PolarHBondContact O-N 3.36Å; L493-I495 VanDerWaalsContact O-N 3.12Å
494	R	52.3	Low	43.6	Very low	180 Å²	180	99.7 Å²	99.7	68%	0.679	50%	0.504	S	S	*	.			trans	-88.5	66	-178	-63.8	-175.8	-179	173.1	0.4	109.7	S244 T492	S244-R494 WeakPolarHBondContact O-CB 3.45Å; S244-R494 PolarHBondContact O-N 2.95Å; T492-R494 WeakPolarHBondContact O-CG 3.27Å; T492-R494 PolarHBondContact O-N 2.6Å
495	I	51.1	Low	45.2	Very low	18 Å²	18	92.2 Å²	92.2	9%	0.092	47%	0.468	C	S	.	.			trans	-87	126.5	156.4	-52.2	-166.4	0	0	0	106.5	H210 L213 C246 L493 L497	H210-I495 WeakPolarHBondContact CD2-CD1 3.44Å; L213-I495 HydrophobicContact CD2-CD1 3.54Å; C246-I495 HydrophobicContact CB-CD1 3.97Å; C246-I495 HydrophobicContact CB-CG1 4.02Å; C246-I495 WeakPolarHBondContact SG-CG1 3.49Å; L493-I495 VanDerWaalsContact C-N 3.27Å; L493-I495 PolarHBondContact O-N 3.36Å; L493-I495 VanDerWaalsContact O-N 3.12Å; I495-L497 HydrophobicContact CB-CD2 4.09Å; I495-L497 HydrophobicContact CB-CG 4.27Å; I495-L497 HydrophobicContact CG2-CD2 4.07Å; I495-L497 HydrophobicContact CG2-CG 4.47Å; I495-L497 PolarHBondContact O-N 3.27Å
496	P	44.1	Very low	46.8	Very low	69 Å²	69	87.7 Å²	87.7	45%	0.448	45%	0.448	S	S	.	.			trans	-66.4	82.6	158.5	26.2	-26.3	0	0	0	107	F498 L499	P496-F498 PolarHBondContact O-N 3.31Å; P496-L499 HydrophobicContact CB-CD1 4.49Å; P496-L499 HydrophobicContact CB-CG 4.11Å; P496-L499 HydrophobicContact CG-CD1 3.78Å; P496-L499 HydrophobicContact CG-CG 3.94Å; P496-L499 PolarHBondContact O-N 2.91Å
497	L	47.6	Very low	48.5	Very low	63 Å²	63	87.1 Å²	87.1	33%	0.33	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-24.1	177.4	-70	172.2	0	0	0	111.2	I495	I495-L497 HydrophobicContact CB-CD2 4.09Å; I495-L497 HydrophobicContact CB-CG 4.27Å; I495-L497 HydrophobicContact CG2-CD2 4.07Å; I495-L497 HydrophobicContact CG2-CG 4.47Å; I495-L497 PolarHBondContact O-N 3.27Å
498	F	46.1	Very low	50.3	Low	183 Å²	183	82.4 Å²	82.4	80%	0.803	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	13.2	177.5	-57.5	-76.2	0	0	0	114.7	P496 S500	P496-F498 PolarHBondContact O-N 3.31Å; F498-S500 PolarHBondContact O-N 3.16Å
499	L	47.2	Very low	51.7	Low	23 Å²	23	84 Å²	84	12%	0.12	43%	0.431	C	S	.	.			trans	-60.8	99.4	160.9	-77	170.7	0	0	0	106.7	T426 P496 L503	T426-L499 HydrophobicContact CG2-CD1 4.15Å; P496-L499 HydrophobicContact CB-CD1 4.49Å; P496-L499 HydrophobicContact CB-CG 4.11Å; P496-L499 HydrophobicContact CG-CD1 3.78Å; P496-L499 HydrophobicContact CG-CG 3.94Å; P496-L499 PolarHBondContact O-N 2.91Å; L499-L503 HydrophobicContact CB-CB 4.38Å; L499-L503 HydrophobicContact CD2-CB 3.83Å; L499-L503 HydrophobicContact CD2-CD1 3.96Å
500	S	42.1	Very low	53	Low	33 Å²	33	73.3 Å²	73.3	23%	0.231	39%	0.391	C	S	.	.			trans	-43.2	143.8	171.8	170.2	0	0	0	0	108.9	F498 H502 L503 M504	F498-S500 PolarHBondContact O-N 3.16Å; S500-H502 PolarHBondContact O-N 2.88Å; S500-H502 PolarHBondContact OG-CD2 3.24Å; S500-H502 PolarHBondContact OG-N 3.44Å; S500-L503 WeakPolarHBondContact O-CA 3.34Å; S500-L503 WeakPolarHBondContact O-CB 3.44Å; S500-L503 PolarHBondContact O-N 2.93Å; S500-M504 PolarHBondContact O-N 2.97Å
501	P	51	Low	53.3	Low	104 Å²	104	74.1 Å²	74.1	68%	0.675	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49	-29.6	173.1	-27.8	34.9	0	0	0	112.9	L503 M504	P501-L503 VanDerWaalsContact C-N 3.32Å; P501-L503 PolarHBondContact O-N 3.19Å; P501-M504 PolarHBondContact O-N 3.4Å
502	H	47.2	Very low	53.2	Low	166 Å²	166	79.5 Å²	79.5	77%	0.769	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-24	174	-56.3	-60.9	0	0	0	114.3	S500	S500-H502 PolarHBondContact O-N 2.88Å; S500-H502 PolarHBondContact OG-CD2 3.24Å; S500-H502 PolarHBondContact OG-N 3.44Å
503	L	51.3	Low	52.8	Low	40 Å²	40	83.1 Å²	83.1	21%	0.209	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-18.1	174.9	-64	176	0	0	0	113.2	R435 L499 S500 P501	R435-L503 PolarHBondContact NH1-O 3.39Å; R435-L503 VanDerWaalsContact NH1-O 3.16Å; R435-L503 PolarHBondContact NH2-O 3.16Å; L499-L503 HydrophobicContact CB-CB 4.38Å; L499-L503 HydrophobicContact CD2-CB 3.83Å; L499-L503 HydrophobicContact CD2-CD1 3.96Å; S500-L503 WeakPolarHBondContact O-CA 3.34Å; S500-L503 WeakPolarHBondContact O-CB 3.44Å; S500-L503 PolarHBondContact O-N 2.93Å; P501-L503 VanDerWaalsContact C-N 3.32Å; P501-L503 PolarHBondContact O-N 3.19Å
504	M	56.7	Low	52.3	Low	19 Å²	19	94.1 Å²	94.1	9%	0.094	45%	0.445	C	S	.	.	S	Bend	trans	-68.9	145.6	173.7	-62.8	-178.7	57	0	0	109.6	A422 R423 S500 P501 P506	A422-M504 HydrophobicContact CB-CE 3.45Å; A422-M504 VanDerWaalsContact CB-CE 3.45Å; R423-M504 HydrophobicContact CB-CE 4.46Å; R423-M504 HydrophobicContact CG-CE 3.47Å; R423-M504 VanDerWaalsContact CG-CE 3.47Å; R423-M504 HydrophobicContact CG-SD 4.25Å; S500-M504 PolarHBondContact O-N 2.97Å; P501-M504 PolarHBondContact O-N 3.4Å; M504-P506 WeakPolarHBondContact O-CD 3.49Å
505	V	58.2	Low	52.2	Low	24 Å²	24	91.2 Å²	91.2	15%	0.145	44%	0.442	C	S	.	.			trans	-64.7	113.8	166.4	179.4	0	0	0	0	106.5	A422 T426 T507 L509 I510	A422-V505 WeakPolarHBondContact CB-O 3.45Å; T426-V505 HydrophobicContact CG2-CG2 4.49Å; T426-V505 PolarHBondContact OG1-N 3.31Å; V505-T507 PolarHBondContact O-N 3.42Å; V505-L509 HydrophobicContact CG1-CB 4.27Å; V505-I510 HydrophobicContact CB-CG1 4.49Å; V505-I510 HydrophobicContact CG1-CG1 3.71Å
506	P	59.8	Low	52.8	Low	58 Å²	58	93.7 Å²	93.7	38%	0.377	46%	0.455	S	S	.	.			trans	-53.8	137.4	172.9	-22.1	33.1	0	0	0	108.6	M504 S508 L509 I510	M504-P506 WeakPolarHBondContact O-CD 3.49Å; P506-S508 PolarHBondContact O-N 3.45Å; P506-S508 VanDerWaalsContact O-N 3.07Å; P506-L509 HydrophobicContact CB-CB 4.36Å; P506-L509 HydrophobicContact CB-CD1 4.4Å; P506-L509 HydrophobicContact CB-CG 4.11Å; P506-L509 HydrophobicContact CG-CB 4.44Å; P506-L509 HydrophobicContact CG-CD1 3.77Å; P506-L509 HydrophobicContact CG-CG 4.04Å; P506-L509 WeakPolarHBondContact O-CA 3.28Å; P506-L509 PolarHBondContact O-N 3.47Å; P506-I510 PolarHBondContact O-N 3.27Å
507	T	64.5	Low	54	Low	53 Å²	53	92 Å²	92	33%	0.325	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-56.8	-29.3	-178.8	43.3	0	0	0	0	112.6	I418 A422 V505 L509 I510	I418-T507 HydrophobicContact CG2-CG2 3.78Å; A422-T507 HydrophobicContact CB-CG2 4.08Å; V505-T507 PolarHBondContact O-N 3.42Å; T507-L509 VanDerWaalsContact C-N 3.31Å; T507-L509 PolarHBondContact O-N 2.92Å; T507-I510 HydrophobicContact CG2-CD1 4.03Å; T507-I510 PolarHBondContact O-N 2.88Å
508	S	64.6	Low	55.7	Low	88 Å²	88	89.2 Å²	89.2	62%	0.615	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-66.1	-26.4	171.9	56.6	0	0	0	0	114.6	P506	P506-S508 PolarHBondContact O-N 3.45Å; P506-S508 VanDerWaalsContact O-N 3.07Å
509	L	61.5	Low	57.4	Low	117 Å²	117	82.1 Å²	82.1	61%	0.613	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-95.3	-8.7	178.4	-63.4	-172.1	0	0	0	113.5	V505 P506 T507 R511	V505-L509 HydrophobicContact CG1-CB 4.27Å; P506-L509 HydrophobicContact CB-CB 4.36Å; P506-L509 HydrophobicContact CB-CD1 4.4Å; P506-L509 HydrophobicContact CB-CG 4.11Å; P506-L509 HydrophobicContact CG-CB 4.44Å; P506-L509 HydrophobicContact CG-CD1 3.77Å; P506-L509 HydrophobicContact CG-CG 4.04Å; P506-L509 WeakPolarHBondContact O-CA 3.28Å; P506-L509 PolarHBondContact O-N 3.47Å; T507-L509 VanDerWaalsContact C-N 3.31Å; T507-L509 PolarHBondContact O-N 2.92Å; L509-R511 PolarHBondContact O-N 3.39Å
510	I	63	Low	59.3	Low	2 Å²	2	82.2 Å²	82.2	1%	0.01	40%	0.401	C	S	.	.	S	Bend	trans	-59.6	110.5	170.1	-59	174.5	0	0	0	105.7	R421 H425 V505 P506 T507 Y512 L517	R421-I510 HydrophobicContact CG-CD1 4.08Å; H425-I510 HydrophobicContact CB-CD1 4.09Å; H425-I510 HydrophobicContact CB-CG1 4.21Å; H425-I510 HydrophobicContact CB-CG2 4.3Å; V505-I510 HydrophobicContact CB-CG1 4.49Å; V505-I510 HydrophobicContact CG1-CG1 3.71Å; P506-I510 PolarHBondContact O-N 3.27Å; T507-I510 HydrophobicContact CG2-CD1 4.03Å; T507-I510 PolarHBondContact O-N 2.88Å; I510-Y512 WeakPolarHBondContact O-CD2 3.46Å; I510-Y512 PolarHBondContact O-N 3.03Å; I510-L517 HydrophobicContact CG2-CD1 3.89Å; I510-L517 HydrophobicContact CG2-CD2 3.53Å; I510-L517 HydrophobicContact CG2-CG 4.38Å
511	R	53.9	Low	61.6	Low	141 Å²	141	81.1 Å²	81.1	53%	0.532	39%	0.392	S	S	.	.			trans	-57	106.1	-171.4	-82.3	-177	173.3	172.6	-1.1	109	L509 R513	L509-R511 PolarHBondContact O-N 3.39Å; R511-R513 HydrophobicContact CB-CG 4.24Å; R511-R513 PolarHBondContact O-N 3.38Å
512	Y	47	Very low	63.2	Low	167 Å²	167	79.8 Å²	79.8	66%	0.655	38%	0.377	S	S	*	.			trans	-64.2	57.5	159.7	-65.4	-91.8	0	0	0	109.4	I510 R514	I510-Y512 WeakPolarHBondContact O-CD2 3.46Å; I510-Y512 PolarHBondContact O-N 3.03Å; Y512-R514 PolarHBondContact O-N 3.29Å
513	R	45	Very low	65	Low	178 Å²	178	76 Å²	76	67%	0.672	36%	0.362	S	S	*	.			trans	-66.5	76.9	172.7	-92.4	-175.6	174.2	-169.8	-2.6	107.6	R511 I515	R511-R513 HydrophobicContact CB-CG 4.24Å; R511-R513 PolarHBondContact O-N 3.38Å; R513-I515 PolarHBondContact O-N 3.04Å
514	R	43.6	Very low	66.4	Low	251 Å²	251	77.9 Å²	77.9	95%	0.947	37%	0.372	S	S	*	.	S	Bend	trans	39.9	8.8	170.4	-73.2	-172.8	176.6	-179.3	-1.2	119.5	Y512	Y512-R514 PolarHBondContact O-N 3.29Å
515	I	50.4	Low	67.5	Low	119 Å²	119	78.8 Å²	78.8	61%	0.61	38%	0.375	S	S	*	.	S	Bend	trans	-139	138.5	-174.3	-56.8	172.9	0	0	0	106.1	R513 L517	R513-I515 PolarHBondContact O-N 3.04Å; I515-L517 PolarHBondContact O-N 3.42Å
516	N	63.7	Low	68.2	Low	69 Å²	69	86.9 Å²	86.9	37%	0.369	41%	0.412	S	S	.	.			trans	-33.2	124.6	174.7	-160.8	-27.3	0	0	0	111.3	K223 E518 P519	K223-N516 PolarHBondContact NZ-ND2 3.35Å; K223-N516 PolarHBondContact NZ-OD1 2.83Å; N516-E518 VanDerWaalsContact CG-O 3.32Å; N516-E518 PolarHBondContact O-N 3.13Å; N516-E518 PolarHBondContact OD1-N 2.92Å; N516-E518 PolarHBondContact OD1-O 3.35Å; N516-P519 WeakPolarHBondContact O-CD 3.36Å
517	L	70	Confident	68.7	Low	33 Å²	33	92.6 Å²	92.6	17%	0.173	43%	0.427	C	S	.	.	S	Bend	trans	-56.6	-26.6	178.6	-72.8	175.4	0	0	0	111.9	I510 I515 P519	I510-L517 HydrophobicContact CG2-CD1 3.89Å; I510-L517 HydrophobicContact CG2-CD2 3.53Å; I510-L517 HydrophobicContact CG2-CG 4.38Å; I515-L517 PolarHBondContact O-N 3.42Å; L517-P519 VanDerWaalsContact C-CD 3.49Å; L517-P519 WeakPolarHBondContact O-CD 3.42Å
518	E	82.8	Confident	69	Low	6 Å²	6	94.9 Å²	94.9	3%	0.028	44%	0.441	C	S	.	.	S	Bend	trans	-117.8	75.6	177.4	-52.7	-52.3	160.3	0	0	108.6	Y216 R220 K223 L412 H425 N516 T520	Y216-E518 PolarHBondContact OH-OE1 2.97Å; R220-E518 HydrophobicContact CG-CG 4.41Å; R220-E518 WeakPolarHBondContact CG-OE2 3.37Å; R220-E518 IonicContact CZ-OE1 3.93Å; R220-E518 IonicContact CZ-OE2 2.68Å; R220-E518 IonicContact NE-OE1 3.74Å; R220-E518 PolarHBondContact NE-OE1 2.78Å; R220-E518 IonicContact NE-OE2 2.98Å; R220-E518 PolarHBondContact NE-OE2 2.97Å; R220-E518 IonicContact NH1-OE2 3.79Å; R220-E518 IonicContact NH2-OE1 3.67Å; R220-E518 PolarHBondContact NH2-OE1 2.77Å; R220-E518 IonicContact NH2-OE2 3.92Å; R220-E518 PolarHBondContact NH2-OE2 3.31Å; K223-E518 HydrophobicContact CD-CB 3.78Å; K223-E518 WeakPolarHBondContact CE-O 3.46Å; K223-E518 PolarHBondContact NZ-O 3.38Å; L412-E518 HydrophobicContact CD1-CB 4.36Å; L412-E518 HydrophobicContact CD1-CG 4.19Å; H425-E518 IonicContact NE2-OE1 3.47Å; N516-E518 VanDerWaalsContact CG-O 3.32Å; N516-E518 PolarHBondContact O-N 3.13Å; N516-E518 PolarHBondContact OD1-N 2.92Å; N516-E518 PolarHBondContact OD1-O 3.35Å; E518-T520 PolarHBondContact O-N 3.06Å
519	P	81.5	Confident	69.9	Low	33 Å²	33	98.3 Å²	98.3	21%	0.214	44%	0.442	C	S	.	.			trans	-62.1	136.5	-176.5	27.6	-34.6	0	0	0	109.9	N516 L517 D523 I524	N516-P519 WeakPolarHBondContact O-CD 3.36Å; L517-P519 VanDerWaalsContact C-CD 3.49Å; L517-P519 WeakPolarHBondContact O-CD 3.42Å; P519-D523 WeakPolarHBondContact CA-OD2 3.4Å; P519-D523 HydrophobicContact CB-CB 3.76Å; P519-I524 HydrophobicContact CB-CD1 4.21Å; P519-I524 HydrophobicContact CB-CG1 4.03Å; P519-I524 HydrophobicContact CG-CD1 3.95Å; P519-I524 HydrophobicContact CG-CG1 4.17Å
520	T	88.6	Confident	71.2	Confident	25 Å²	25	93.3 Å²	93.3	15%	0.153	42%	0.416	C	S	.	.			trans	-68.6	168.6	173.5	61.5	0	0	0	0	110.9	S227 E518 Q522 D523 I524	S227-T520 WeakPolarHBondContact OG-CA 3.44Å; S227-T520 WeakPolarHBondContact OG-CB 3.49Å; E518-T520 PolarHBondContact O-N 3.06Å; T520-Q522 PolarHBondContact O-N 2.72Å; T520-D523 WeakPolarHBondContact CB-OD2 3.2Å; T520-D523 PolarHBondContact N-OD2 2.89Å; T520-D523 PolarHBondContact O-N 3.01Å; T520-D523 PolarHBondContact OG1-N 3.06Å; T520-D523 VanDerWaalsContact OG1-N 3.14Å; T520-D523 PolarHBondContact OG1-OD2 3.32Å; T520-I524 PolarHBondContact O-N 2.99Å
521	F	88.6	Confident	72.4	Confident	10 Å²	10	97.5 Å²	97.5	4%	0.044	44%	0.438	C	S	.	.	H	α-helix	trans	-55.3	-42.6	170.9	-176.5	-89.7	0	0	0	111.5	L162 Y224 S227 A228 I524 H525 I530	L162-F521 HydrophobicContact CD2-CD2 4.48Å; L162-F521 HydrophobicContact CD2-CE2 4.37Å; Y224-F521 HydrophobicContact CD2-CB 4.33Å; Y224-F521 HydrophobicContact CE1-CD2 4.05Å; Y224-F521 HydrophobicContact CE2-CB 4.19Å; Y224-F521 AromaticContact CE2-CD2 3.81Å; Y224-F521 HydrophobicContact CE2-CD2 3.81Å; Y224-F521 HydrophobicContact CE2-CG 4.43Å; Y224-F521 AromaticContact CZ-CD2 3.47Å; Y224-F521 VanDerWaalsContact CZ-CD2 3.47Å; Y224-F521 VanDerWaalsContact OH-CD2 3.25Å; Y224-F521 WeakPolarHBondContact OH-CD2 3.47Å; Y224-F521 WeakPolarHBondContact OH-CE2 3.41Å; S227-F521 PolarHBondContact OG-N 3.12Å; A228-F521 HydrophobicContact CB-CB 3.6Å; A228-F521 HydrophobicContact CB-CD1 3.95Å; A228-F521 HydrophobicContact CB-CD2 3.47Å; A228-F521 VanDerWaalsContact CB-CD2 3.47Å; A228-F521 HydrophobicContact CB-CE2 4.14Å; A228-F521 HydrophobicContact CB-CG 3.38Å; F521-I524 PolarHBondContact O-N 3.37Å; F521-H525 HydrophobicContact CD1-CB 4.31Å; F521-H525 AromaticContact CD2-CD2 3.48Å; F521-H525 VanDerWaalsContact CD2-CD2 3.48Å; F521-H525 WeakPolarHBondContact CD2-CD2 3.32Å; F521-H525 AromaticContact CD2-NE2 3.97Å; F521-H525 HydrophobicContact CE1-CB 3.88Å; F521-H525 AromaticContact CE1-CD2 3.98Å; F521-H525 AromaticContact CE2-CD2 3.31Å; F521-H525 WeakPolarHBondContact CE2-CD2 3.42Å; F521-H525 AromaticContact CE2-NE2 3.68Å; F521-H525 AromaticContact CG-CD2 3.85Å; F521-H525 HydrophobicContact CZ-CB 4.05Å; F521-H525 AromaticContact CZ-CD2 3.59Å; F521-H525 AromaticContact CZ-CG 3.86Å; F521-H525 WeakPolarHBondContact O-CB 3.16Å; F521-H525 PolarHBondContact O-CD2 2.86Å; F521-H525 VanDerWaalsContact O-CD2 3.24Å; F521-H525 PolarHBondContact O-N 3.13Å; F521-I530 HydrophobicContact CD2-CD1 4.43Å; F521-I530 HydrophobicContact CE1-CG1 4.27Å; F521-I530 HydrophobicContact CE2-CD1 3.67Å; F521-I530 HydrophobicContact CE2-CG1 4.22Å; F521-I530 HydrophobicContact CZ-CD1 3.76Å; F521-I530 HydrophobicContact CZ-CG1 3.8Å
522	Q	85.8	Confident	73.9	Confident	76 Å²	76	90.8 Å²	90.8	36%	0.355	41%	0.413	S	S	.	.	H	α-helix	trans	-68.9	-31.3	178.8	-65	87.7	-15	0	0	113.1	S227 T520 I524 H525 T528	S227-Q522 VanDerWaalsContact CB-OE1 3.29Å; S227-Q522 VanDerWaalsContact O-CD 3.27Å; S227-Q522 PolarHBondContact O-NE2 2.67Å; S227-Q522 PolarHBondContact O-OE1 2.89Å; T520-Q522 PolarHBondContact O-N 2.72Å; Q522-I524 PolarHBondContact O-N 3.22Å; Q522-H525 CarbonylContact C-O 3.26Å; Q522-T528 PolarHBondContact NE2-O 3.29Å
523	D	83.9	Confident	75.8	Confident	88 Å²	88	85.2 Å²	85.2	47%	0.471	39%	0.393	S	S	.	.	H	α-helix	trans	-65.1	-28.4	174.1	-64.8	-40.8	0	0	0	111.6	P519 T520	P519-D523 WeakPolarHBondContact CA-OD2 3.4Å; P519-D523 HydrophobicContact CB-CB 3.76Å; T520-D523 WeakPolarHBondContact CB-OD2 3.2Å; T520-D523 PolarHBondContact N-OD2 2.89Å; T520-D523 PolarHBondContact O-N 3.01Å; T520-D523 PolarHBondContact OG1-N 3.06Å; T520-D523 VanDerWaalsContact OG1-N 3.14Å; T520-D523 PolarHBondContact OG1-OD2 3.32Å
524	I	80.5	Confident	77.8	Confident	78 Å²	78	78.9 Å²	78.9	40%	0.4	37%	0.372	S	S	.	.	H	α-helix	trans	-94.7	-34.7	-177.4	-62.5	165.5	0	0	0	111.9	Y224 P519 T520 F521 Q522	Y224-I524 HydrophobicContact CD2-CD1 3.88Å; Y224-I524 HydrophobicContact CE2-CD1 3.69Å; P519-I524 HydrophobicContact CB-CD1 4.21Å; P519-I524 HydrophobicContact CB-CG1 4.03Å; P519-I524 HydrophobicContact CG-CD1 3.95Å; P519-I524 HydrophobicContact CG-CG1 4.17Å; T520-I524 PolarHBondContact O-N 2.99Å; F521-I524 PolarHBondContact O-N 3.37Å; Q522-I524 PolarHBondContact O-N 3.22Å
525	H	80.3	Confident	79.9	Confident	38 Å²	38	74.4 Å²	74.4	18%	0.176	36%	0.361	C	S	.	.	S	Bend	trans	-125.5	136.8	-172.1	-53.7	-82.1	0	0	0	111	Y224 F521 Q522 Y527	Y224-H525 AromaticContact CZ-NE2 3.95Å; Y224-H525 PolarHBondContact OH-NE2 3.1Å; F521-H525 HydrophobicContact CD1-CB 4.31Å; F521-H525 AromaticContact CD2-CD2 3.48Å; F521-H525 VanDerWaalsContact CD2-CD2 3.48Å; F521-H525 WeakPolarHBondContact CD2-CD2 3.32Å; F521-H525 AromaticContact CD2-NE2 3.97Å; F521-H525 HydrophobicContact CE1-CB 3.88Å; F521-H525 AromaticContact CE1-CD2 3.98Å; F521-H525 AromaticContact CE2-CD2 3.31Å; F521-H525 WeakPolarHBondContact CE2-CD2 3.42Å; F521-H525 AromaticContact CE2-NE2 3.68Å; F521-H525 AromaticContact CG-CD2 3.85Å; F521-H525 HydrophobicContact CZ-CB 4.05Å; F521-H525 AromaticContact CZ-CD2 3.59Å; F521-H525 AromaticContact CZ-CG 3.86Å; F521-H525 WeakPolarHBondContact O-CB 3.16Å; F521-H525 PolarHBondContact O-CD2 2.86Å; F521-H525 VanDerWaalsContact O-CD2 3.24Å; F521-H525 PolarHBondContact O-N 3.13Å; Q522-H525 CarbonylContact C-O 3.26Å; H525-Y527 PolarHBondContact O-N 2.82Å
526	E	73.6	Confident	81.7	Confident	195 Å²	195	69.2 Å²	69.2	91%	0.911	34%	0.335	S	S	*	.	S	Bend	trans	-72.5	21.4	-179.1	-61.7	-179.5	168.3	0	0	114.9
527	Y	69.1	Low	82.9	Confident	177 Å²	177	71.6 Å²	71.6	69%	0.694	35%	0.348	S	S	*	.	S	Bend	trans	-126.6	146.5	-178.5	-61.7	-84.3	0	0	0	112.1	H525	H525-Y527 PolarHBondContact O-N 2.82Å
528	T	71	Confident	84	Confident	102 Å²	102	73.8 Å²	73.8	63%	0.626	36%	0.359	S	S	*	.	S	Bend	trans	-77.2	-40.5	-165.8	-18.7	0	0	0	0	114.8	Q522	Q522-T528 PolarHBondContact NE2-O 3.29Å
529	Y	85.1	Confident	84.4	Confident	160 Å²	160	76.9 Å²	76.9	63%	0.627	38%	0.376	S	S	*	.			trans	-159.8	156.9	-178.9	55.3	-92	0	0	0	111.6	A228 N531	A228-Y529 WeakPolarHBondContact O-CA 3.46Å; Y529-N531 HydrophobicContact CE2-CB 4.46Å
530	I	88.3	Confident	84.9	Confident	12 Å²	12	83.2 Å²	83.2	6%	0.062	40%	0.4	C	S	.	.			trans	-95.6	111.9	173.9	-57.3	169.1	0	0	0	109	L158 L162 A228 V230 S258 F521 T532	L158-I530 HydrophobicContact CD2-CB 4.47Å; L158-I530 HydrophobicContact CD2-CD1 4.24Å; L158-I530 HydrophobicContact CD2-CG2 3.98Å; L162-I530 HydrophobicContact CD2-CD1 3.61Å; L162-I530 HydrophobicContact CG-CD1 4.34Å; A228-I530 HydrophobicContact CB-CD1 4.09Å; A228-I530 HydrophobicContact CB-CG1 4.42Å; A228-I530 PolarHBondContact O-N 2.7Å; V230-I530 HydrophobicContact CG2-CB 4.19Å; V230-I530 HydrophobicContact CG2-CD1 4.47Å; S258-I530 PolarHBondContact OG-O 2.69Å; S258-I530 VanDerWaalsContact OG-O 3.04Å; F521-I530 HydrophobicContact CD2-CD1 4.43Å; F521-I530 HydrophobicContact CE1-CG1 4.27Å; F521-I530 HydrophobicContact CE2-CD1 3.67Å; F521-I530 HydrophobicContact CE2-CG1 4.22Å; F521-I530 HydrophobicContact CZ-CD1 3.76Å; F521-I530 HydrophobicContact CZ-CG1 3.8Å; I530-T532 HydrophobicContact CG2-CG2 4.28Å; I530-T532 PolarHBondContact O-N 3.19Å
531	N	86.9	Confident	85.1	Confident	89 Å²	89	84.9 Å²	84.9	48%	0.476	41%	0.406	S	S	.	.			trans	-78.3	118.3	170.2	-172.1	4.6	0	0	0	111.1	Y529 E533	Y529-N531 HydrophobicContact CE2-CB 4.46Å; N531-E533 PolarHBondContact OD1-N 2.92Å; N531-E533 PolarHBondContact OD1-O 2.82Å
532	T	86.9	Confident	85.3	Confident	0 Å²	0	84.4 Å²	84.4	0%	0	40%	0.404	C	S	.	.			trans	-103.2	-11.5	176.9	60.7	0	0	0	0	113.2	L158 S258 I530	L158-T532 HydrophobicContact CD1-CG2 4Å; L158-T532 HydrophobicContact CD2-CG2 3.66Å; L158-T532 HydrophobicContact CG-CG2 3.81Å; S258-T532 PolarHBondContact N-OG1 2.96Å; S258-T532 VanDerWaalsContact N-OG1 3.14Å; S258-T532 PolarHBondContact OG-N 2.82Å; S258-T532 PolarHBondContact OG-OG1 2.78Å; I530-T532 HydrophobicContact CG2-CG2 4.28Å; I530-T532 PolarHBondContact O-N 3.19Å
533	E	85.7	Confident	85.6	Confident	51 Å²	51	83 Å²	83	24%	0.238	40%	0.397	C	S	.	.			trans	-83.3	133.1	-178.6	-60.5	-41.8	127.5	0	0	111.3	R154 R257 N531	R154-E533 IonicContact CZ-OE2 3.73Å; R154-E533 IonicContact NE-OE1 2.68Å; R154-E533 IonicContact NE-OE2 3.63Å; R154-E533 IonicContact NH2-OE2 3.74Å; R154-E533 PolarHBondContact NH2-OE2 3.45Å; R257-E533 WeakPolarHBondContact CD-OE1 3.26Å; R257-E533 IonicContact NE-OE1 2.85Å; N531-E533 PolarHBondContact OD1-N 2.92Å; N531-E533 PolarHBondContact OD1-O 2.82Å
534	I	86.9	Confident	86	Confident	45 Å²	45	82.8 Å²	82.8	23%	0.231	39%	0.393	C	S	.	.			trans	-147.9	138.1	-179.6	-169.5	153.1	0	0	0	109.4	Y153 M536 I545	Y153-I534 HydrophobicContact CD1-CB 4.48Å; Y153-I534 HydrophobicContact CD1-CG2 3.55Å; Y153-I534 HydrophobicContact CE1-CB 4Å; Y153-I534 HydrophobicContact CE1-CD1 4.35Å; Y153-I534 HydrophobicContact CE1-CG2 3.56Å; Y153-I534 HydrophobicContact CE2-CD1 3.93Å; Y153-I534 HydrophobicContact CG-CG2 4.08Å; I534-M536 HydrophobicContact CG2-CE 3.88Å; I534-M536 HydrophobicContact CG2-CG 4.39Å; I534-I545 HydrophobicContact CD1-CD1 4.03Å; I534-I545 HydrophobicContact CD1-CG1 4.37Å; I534-I545 HydrophobicContact CD1-CG2 3.48Å; I534-I545 VanDerWaalsContact CD1-CG2 3.48Å; I534-I545 HydrophobicContact CG1-CD1 4.21Å; I534-I545 HydrophobicContact CG1-CG2 4.49Å
535	Q	87.9	Confident	86.7	Confident	156 Å²	156	80.5 Å²	80.5	73%	0.729	38%	0.381	S	S	*	.			trans	-81.9	133.5	171.5	-67.9	-174.5	-10	0	0	109.2
536	M	88	Confident	87.3	Confident	11 Å²	11	78.7 Å²	78.7	5%	0.054	37%	0.373	C	S	.	.			trans	-136.4	106.1	175.1	-69.5	178.3	173.5	0	0	106.2	I146 A149 K150 Y153 I534 A542 I545	I146-M536 HydrophobicContact CG2-CB 4Å; I146-M536 WeakPolarHBondContact CG2-O 3.5Å; A149-M536 HydrophobicContact CB-SD 4.18Å; K150-M536 HydrophobicContact CG-CG 4.4Å; K150-M536 HydrophobicContact CG-SD 3.62Å; Y153-M536 HydrophobicContact CD2-CE 4.2Å; Y153-M536 HydrophobicContact CG-CE 4.05Å; I534-M536 HydrophobicContact CG2-CE 3.88Å; I534-M536 HydrophobicContact CG2-CG 4.39Å; M536-A542 HydrophobicContact CB-CB 4.27Å; M536-A542 HydrophobicContact CE-CB 4.44Å; M536-A542 HydrophobicContact CG-CB 4.16Å; M536-A542 HydrophobicContact SD-CB 3.62Å; M536-I545 HydrophobicContact CE-CB 4.16Å; M536-I545 HydrophobicContact CE-CD1 4.38Å; M536-I545 HydrophobicContact CE-CG2 3.65Å; M536-I545 HydrophobicContact CG-CD1 3.89Å
537	N	89.6	Confident	88.2	Confident	119 Å²	119	71.7 Å²	71.7	64%	0.636	34%	0.338	S	S	*	.			trans	-84.3	-26.8	-173.2	-58	-61.7	0	0	0	112.2	E541	N537-E541 VanDerWaalsContact CB-OE2 3.28Å; N537-E541 WeakPolarHBondContact CB-OE2 3.23Å; N537-E541 PolarHBondContact N-OE2 2.79Å; N537-E541 PolarHBondContact ND2-OE2 3.01Å
538	N	92.7	Very high	89.4	Confident	78 Å²	78	66.6 Å²	66.6	42%	0.417	32%	0.323	S	S	.	.	S	Bend	trans	-152.6	168	179.4	60.4	65.6	0	0	0	111.3	I146 F540 E541 A542	I146-N538 WeakPolarHBondContact CD1-O 3.2Å; N538-F540 VanDerWaalsContact C-N 3.29Å; N538-F540 PolarHBondContact O-N 3.43Å; N538-F540 WeakPolarHBondContact OD1-CB 3.41Å; N538-F540 PolarHBondContact OD1-N 3.22Å; N538-E541 PolarHBondContact O-N 3.09Å; N538-E541 WeakPolarHBondContact OD1-CB 3.24Å; N538-E541 PolarHBondContact OD1-N 3.02Å; N538-A542 PolarHBondContact O-N 3.36Å
539	L	92.1	Very high	90.5	Very high	71 Å²	71	62.2 Å²	62.2	37%	0.372	30%	0.296	S	S	.	.	H	α-helix	trans	-67.6	-29.6	-174.1	-69.7	172.3	0	0	0	112.7	F143 I146 A542 K543	F143-L539 HydrophobicContact CB-CD2 4.47Å; F143-L539 WeakPolarHBondContact O-CD1 3.39Å; F143-L539 WeakPolarHBondContact O-CD2 3.42Å; I146-L539 HydrophobicContact CD1-CD2 3.82Å; I146-L539 HydrophobicContact CD1-CG 4.08Å; I146-L539 HydrophobicContact CG1-CD2 4.37Å; L539-A542 PolarHBondContact O-N 3.1Å; L539-K543 WeakPolarHBondContact O-CB 3.4Å; L539-K543 PolarHBondContact O-N 3.43Å
540	F	91	Very high	90.9	Very high	167 Å²	167	55 Å²	55	73%	0.732	27%	0.268	S	S	*	.	H	α-helix	trans	-65.5	-48.1	176.7	177.1	-93.7	0	0	0	111	N538 K543 Q544	N538-F540 VanDerWaalsContact C-N 3.29Å; N538-F540 PolarHBondContact O-N 3.43Å; N538-F540 WeakPolarHBondContact OD1-CB 3.41Å; N538-F540 PolarHBondContact OD1-N 3.22Å; F540-K543 WeakPolarHBondContact O-CB 3.42Å; F540-K543 PolarHBondContact O-N 3.18Å; F540-Q544 PolarHBondContact O-N 3.15Å; F540-Q544 VanDerWaalsContact O-N 3.09Å
541	E	92.6	Very high	91.2	Very high	60 Å²	60	56.3 Å²	56.3	28%	0.28	27%	0.274	S	S	.	.	H	α-helix	trans	-60.4	-45.5	174.4	-176.4	179.2	-161.8	0	0	111.3	N537 N538 K543 Q544 I545	N537-E541 VanDerWaalsContact CB-OE2 3.28Å; N537-E541 WeakPolarHBondContact CB-OE2 3.23Å; N537-E541 PolarHBondContact N-OE2 2.79Å; N537-E541 PolarHBondContact ND2-OE2 3.01Å; N538-E541 PolarHBondContact O-N 3.09Å; N538-E541 WeakPolarHBondContact OD1-CB 3.24Å; N538-E541 PolarHBondContact OD1-N 3.02Å; E541-K543 VanDerWaalsContact C-N 3.27Å; E541-K543 PolarHBondContact O-N 3.24Å; E541-Q544 PolarHBondContact O-N 3.29Å; E541-Q544 VanDerWaalsContact O-N 3.16Å; E541-I545 HydrophobicContact CG-CD1 3.79Å; E541-I545 HydrophobicContact CG-CG1 4.45Å; E541-I545 WeakPolarHBondContact O-CG1 3.4Å; E541-I545 PolarHBondContact O-N 2.97Å
542	A	92.9	Very high	91.5	Very high	0 Å²	0	57 Å²	57	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-56.9	-41.6	177.2	0	0	0	0	0	112.3	I146 A149 M536 N538 L539 I545 L546	I146-A542 HydrophobicContact CD1-CB 4.49Å; A149-A542 HydrophobicContact CB-CB 3.77Å; M536-A542 HydrophobicContact CB-CB 4.27Å; M536-A542 HydrophobicContact CE-CB 4.44Å; M536-A542 HydrophobicContact CG-CB 4.16Å; M536-A542 HydrophobicContact SD-CB 3.62Å; N538-A542 PolarHBondContact O-N 3.36Å; L539-A542 PolarHBondContact O-N 3.1Å; A542-I545 PolarHBondContact O-N 3.16Å; A542-L546 WeakPolarHBondContact O-CB 3.45Å; A542-L546 PolarHBondContact O-N 3.49Å
543	K	92.8	Very high	91.8	Very high	47 Å²	47	58.2 Å²	58.2	20%	0.204	28%	0.279	C	S	.	.	H	α-helix	trans	-63.8	-44.7	176.4	-169.3	169.8	-158.3	-177.4	0	112.5	F143 S179 S180 F182 L539 F540 E541 W547	F143-K543 HydrophobicContact CD1-CB 4.11Å; F143-K543 HydrophobicContact CD2-CD 4.43Å; F143-K543 HydrophobicContact CD2-CG 4.5Å; F143-K543 HydrophobicContact CE1-CB 3.68Å; F143-K543 HydrophobicContact CE1-CG 4.02Å; F143-K543 HydrophobicContact CE2-CB 4.45Å; F143-K543 HydrophobicContact CE2-CD 4.21Å; F143-K543 HydrophobicContact CE2-CG 3.93Å; F143-K543 HydrophobicContact CZ-CB 3.88Å; F143-K543 HydrophobicContact CZ-CD 4.42Å; F143-K543 HydrophobicContact CZ-CG 3.67Å; S179-K543 WeakPolarHBondContact O-CE 3.32Å; S179-K543 PolarHBondContact O-NZ 3.4Å; S180-K543 PolarHBondContact O-NZ 3.21Å; F182-K543 HydrophobicContact CE1-CD 4.5Å; F182-K543 HydrophobicContact CE1-CG 3.81Å; F182-K543 HydrophobicContact CZ-CG 4.05Å; F182-K543 WeakPolarHBondContact O-CE 3.46Å; F182-K543 PolarHBondContact O-NZ 3.03Å; F182-K543 VanDerWaalsContact O-NZ 3.14Å; L539-K543 WeakPolarHBondContact O-CB 3.4Å; L539-K543 PolarHBondContact O-N 3.43Å; F540-K543 WeakPolarHBondContact O-CB 3.42Å; F540-K543 PolarHBondContact O-N 3.18Å; E541-K543 VanDerWaalsContact C-N 3.27Å; E541-K543 PolarHBondContact O-N 3.24Å; K543-W547 VanDerWaalsContact O-CB 3.32Å; K543-W547 WeakPolarHBondContact O-CB 3.47Å; K543-W547 PolarHBondContact O-N 3.12Å
544	Q	92.4	Very high	92.1	Very high	82 Å²	82	56.3 Å²	56.3	38%	0.383	27%	0.27	S	S	.	.	H	α-helix	trans	-63.9	-42.6	177.3	-171.3	62	52.9	0	0	111.8	F540 E541 W547 N548	F540-Q544 PolarHBondContact O-N 3.15Å; F540-Q544 VanDerWaalsContact O-N 3.09Å; E541-Q544 PolarHBondContact O-N 3.29Å; E541-Q544 VanDerWaalsContact O-N 3.16Å; Q544-W547 PolarHBondContact O-N 3.43Å; Q544-N548 PolarHBondContact NE2-OD1 3.07Å; Q544-N548 WeakPolarHBondContact O-CB 3.29Å; Q544-N548 PolarHBondContact O-N 3.34Å; Q544-N548 PolarHBondContact O-ND2 3.5Å; Q544-N548 PolarHBondContact O-OD1 3.47Å
545	I	94	Very high	92.3	Very high	31 Å²	31	59.4 Å²	59.4	16%	0.159	28%	0.283	C	S	.	.	H	α-helix	trans	-61.1	-49.8	177.9	-73.8	167	0	0	0	111.1	Y153 I534 M536 E541 A542 N548 L549	Y153-I545 HydrophobicContact CD2-CG2 3.74Å; Y153-I545 HydrophobicContact CE2-CG2 3.75Å; I534-I545 HydrophobicContact CD1-CD1 4.03Å; I534-I545 HydrophobicContact CD1-CG1 4.37Å; I534-I545 HydrophobicContact CD1-CG2 3.48Å; I534-I545 VanDerWaalsContact CD1-CG2 3.48Å; I534-I545 HydrophobicContact CG1-CD1 4.21Å; I534-I545 HydrophobicContact CG1-CG2 4.49Å; M536-I545 HydrophobicContact CE-CB 4.16Å; M536-I545 HydrophobicContact CE-CD1 4.38Å; M536-I545 HydrophobicContact CE-CG2 3.65Å; M536-I545 HydrophobicContact CG-CD1 3.89Å; E541-I545 HydrophobicContact CG-CD1 3.79Å; E541-I545 HydrophobicContact CG-CG1 4.45Å; E541-I545 WeakPolarHBondContact O-CG1 3.4Å; E541-I545 PolarHBondContact O-N 2.97Å; A542-I545 PolarHBondContact O-N 3.16Å; I545-N548 PolarHBondContact O-N 2.91Å; I545-L549 WeakPolarHBondContact O-CB 3.43Å; I545-L549 PolarHBondContact O-N 3.03Å
546	L	93.5	Very high	92.4	Very high	0 Å²	0	59 Å²	59	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-63.7	-41.9	179.3	-86.8	162.3	0	0	0	112	I142 F143 A149 A152 Y153 L156 F182 A542 L549 I550	I142-L546 HydrophobicContact CG2-CD1 3.5Å; F143-L546 HydrophobicContact CE1-CD1 3.6Å; F143-L546 HydrophobicContact CZ-CB 4.49Å; F143-L546 HydrophobicContact CZ-CD1 3.94Å; A149-L546 HydrophobicContact CB-CD1 4.23Å; A152-L546 HydrophobicContact CB-CD2 4.46Å; Y153-L546 HydrophobicContact CD2-CD2 4.47Å; L156-L546 HydrophobicContact CD1-CD2 3.93Å; F182-L546 HydrophobicContact CZ-CB 4.34Å; A542-L546 WeakPolarHBondContact O-CB 3.45Å; A542-L546 PolarHBondContact O-N 3.49Å; L546-L549 PolarHBondContact O-N 3.05Å; L546-I550 WeakPolarHBondContact O-CG1 3.48Å; L546-I550 PolarHBondContact O-N 2.67Å
547	W	93.6	Very high	92.4	Very high	47 Å²	47	61.9 Å²	61.9	18%	0.178	29%	0.291	C	S	.	.	H	α-helix	trans	-58.5	-49.6	173.9	179.4	-104.1	0	0	0	111.3	F182 K543 Q544 L549 I550 Q551	F182-W547 HydrophobicContact CD1-CE3 4.03Å; F182-W547 HydrophobicContact CD1-CZ3 4.47Å; F182-W547 HydrophobicContact CE1-CB 4.07Å; F182-W547 HydrophobicContact CE1-CD2 4.47Å; F182-W547 AromaticContact CE1-CE3 3.79Å; F182-W547 HydrophobicContact CE1-CE3 3.79Å; F182-W547 HydrophobicContact CZ-CB 4.24Å; F182-W547 HydrophobicContact CZ-CE3 4.46Å; K543-W547 VanDerWaalsContact O-CB 3.32Å; K543-W547 WeakPolarHBondContact O-CB 3.47Å; K543-W547 PolarHBondContact O-N 3.12Å; Q544-W547 PolarHBondContact O-N 3.43Å; W547-L549 VanDerWaalsContact C-N 3.32Å; W547-L549 PolarHBondContact O-N 3.07Å; W547-I550 PolarHBondContact O-N 3.49Å; W547-Q551 HydrophobicContact CD2-CG 4.2Å; W547-Q551 HydrophobicContact CG-CG 4.37Å; W547-Q551 VanDerWaalsContact CH2-NE2 3.29Å; W547-Q551 HydrophobicContact CZ2-CG 4.13Å; W547-Q551 WeakPolarHBondContact O-CG 3.32Å; W547-Q551 PolarHBondContact O-N 2.72Å
548	N	93.9	Very high	92.2	Very high	70 Å²	70	58.7 Å²	58.7	37%	0.374	28%	0.276	S	S	.	.	H	α-helix	trans	-60	-41.5	179.1	-70.9	-11.5	0	0	0	111.8	Q544 I545 I550 Q551 Q552	Q544-N548 PolarHBondContact NE2-OD1 3.07Å; Q544-N548 WeakPolarHBondContact O-CB 3.29Å; Q544-N548 PolarHBondContact O-N 3.34Å; Q544-N548 PolarHBondContact O-ND2 3.5Å; Q544-N548 PolarHBondContact O-OD1 3.47Å; I545-N548 PolarHBondContact O-N 2.91Å; N548-I550 PolarHBondContact O-N 3.05Å; N548-Q551 PolarHBondContact O-N 3.31Å; N548-Q552 WeakPolarHBondContact O-CB 3.45Å; N548-Q552 VanDerWaalsContact O-CG 3.3Å; N548-Q552 WeakPolarHBondContact O-CG 3.08Å; N548-Q552 PolarHBondContact O-N 3.27Å
549	L	94.8	Very high	91.8	Very high	10 Å²	10	62 Å²	62	5%	0.052	29%	0.294	C	S	.	.	H	α-helix	trans	-59.5	-45.8	176.1	179.9	67.7	0	0	0	111.7	Y153 L156 K157 F160 I545 L546 W547 Q552 Y553	Y153-L549 HydrophobicContact CD2-CD2 3.65Å; Y153-L549 HydrophobicContact CE2-CB 4.41Å; Y153-L549 HydrophobicContact CE2-CD1 4.4Å; Y153-L549 HydrophobicContact CE2-CD2 3.77Å; Y153-L549 HydrophobicContact CE2-CG 4.4Å; Y153-L549 HydrophobicContact CG-CD2 4.43Å; L156-L549 HydrophobicContact CB-CD2 3.87Å; K157-L549 HydrophobicContact CB-CD2 4.27Å; K157-L549 HydrophobicContact CD-CD1 3.84Å; F160-L549 HydrophobicContact CD2-CD1 4.15Å; F160-L549 HydrophobicContact CD2-CG 4.16Å; F160-L549 HydrophobicContact CE2-CD1 4.36Å; F160-L549 HydrophobicContact CE2-CD2 4.38Å; F160-L549 HydrophobicContact CE2-CG 3.87Å; I545-L549 WeakPolarHBondContact O-CB 3.43Å; I545-L549 PolarHBondContact O-N 3.03Å; L546-L549 PolarHBondContact O-N 3.05Å; W547-L549 VanDerWaalsContact C-N 3.32Å; W547-L549 PolarHBondContact O-N 3.07Å; L549-Q552 PolarHBondContact O-N 2.63Å; L549-Y553 PolarHBondContact O-N 3.12Å; L549-Y553 VanDerWaalsContact O-N 3.11Å
550	I	93.5	Very high	91.6	Very high	8 Å²	8	62.1 Å²	62.1	4%	0.041	29%	0.29	C	S	.	.	H	α-helix	trans	-66.6	-41.5	178	-66.8	167.2	0	0	0	110.9	L156 V173 V185 L546 W547 N548 Y553 F554	L156-I550 HydrophobicContact CD1-CD1 4.22Å; L156-I550 HydrophobicContact CD1-CG1 4.19Å; V173-I550 HydrophobicContact CG1-CG2 4.45Å; V185-I550 HydrophobicContact CG1-CD1 4.35Å; V185-I550 HydrophobicContact CG2-CD1 3.75Å; L546-I550 WeakPolarHBondContact O-CG1 3.48Å; L546-I550 PolarHBondContact O-N 2.67Å; W547-I550 PolarHBondContact O-N 3.49Å; N548-I550 PolarHBondContact O-N 3.05Å; I550-Y553 WeakPolarHBondContact O-CB 3.47Å; I550-Y553 PolarHBondContact O-N 2.68Å; I550-F554 HydrophobicContact CG2-CD2 3.95Å; I550-F554 HydrophobicContact CG2-CE1 4.46Å; I550-F554 HydrophobicContact CG2-CE2 3.38Å; I550-F554 HydrophobicContact CG2-CZ 3.68Å; I550-F554 WeakPolarHBondContact O-CG 3.47Å; I550-F554 PolarHBondContact O-N 3.13Å
551	Q	92.6	Very high	91.4	Very high	41 Å²	41	57.1 Å²	57.1	19%	0.192	27%	0.273	C	S	.	.	H	α-helix	trans	-63.3	-42.4	176.8	-68.6	-51.5	-46.9	0	0	112	W547 N548 Y553 F554 Q555	W547-Q551 HydrophobicContact CD2-CG 4.2Å; W547-Q551 HydrophobicContact CG-CG 4.37Å; W547-Q551 VanDerWaalsContact CH2-NE2 3.29Å; W547-Q551 HydrophobicContact CZ2-CG 4.13Å; W547-Q551 WeakPolarHBondContact O-CG 3.32Å; W547-Q551 PolarHBondContact O-N 2.72Å; N548-Q551 PolarHBondContact O-N 3.31Å; Q551-Y553 VanDerWaalsContact C-N 3.28Å; Q551-Y553 PolarHBondContact O-N 3.25Å; Q551-F554 PolarHBondContact O-N 3.44Å; Q551-F554 VanDerWaalsContact O-N 3.1Å; Q551-Q555 VanDerWaalsContact O-CG 3.31Å; Q551-Q555 WeakPolarHBondContact O-CG 3.49Å; Q551-Q555 PolarHBondContact O-N 2.85Å
552	Q	93.3	Very high	91.1	Very high	104 Å²	104	54.5 Å²	54.5	49%	0.486	26%	0.26	S	S	.	.	H	α-helix	trans	-58.9	-41	173.7	-74.4	174.7	14.8	0	0	111.7	N548 L549 F554 Q555 R556	N548-Q552 WeakPolarHBondContact O-CB 3.45Å; N548-Q552 VanDerWaalsContact O-CG 3.3Å; N548-Q552 WeakPolarHBondContact O-CG 3.08Å; N548-Q552 PolarHBondContact O-N 3.27Å; L549-Q552 PolarHBondContact O-N 2.63Å; Q552-F554 VanDerWaalsContact C-N 3.34Å; Q552-F554 PolarHBondContact O-N 3.34Å; Q552-Q555 PolarHBondContact O-N 3.33Å; Q552-R556 PolarHBondContact O-N 3.46Å
553	Y	93.7	Very high	90.8	Very high	24 Å²	24	54.5 Å²	54.5	9%	0.094	26%	0.26	C	S	.	.	H	α-helix	trans	-61.4	-41.6	174.1	172.4	-97.1	0	0	0	112.3	F160 L170 D172 V173 L549 I550 Q551 Q555 R556 R560	F160-Y553 HydrophobicContact CB-CD2 4.3Å; F160-Y553 AromaticContact CD1-CD2 3.62Å; F160-Y553 HydrophobicContact CD1-CD2 3.62Å; F160-Y553 AromaticContact CD1-CE2 3.98Å; F160-Y553 HydrophobicContact CD1-CE2 3.98Å; F160-Y553 HydrophobicContact CD1-CG 4.12Å; F160-Y553 HydrophobicContact CD2-CD2 4Å; F160-Y553 HydrophobicContact CD2-CG 4.11Å; F160-Y553 HydrophobicContact CE1-CD1 4.35Å; F160-Y553 AromaticContact CE1-CD2 3.87Å; F160-Y553 HydrophobicContact CE1-CD2 3.87Å; F160-Y553 HydrophobicContact CE1-CE2 4.26Å; F160-Y553 AromaticContact CE1-CG 3.93Å; F160-Y553 HydrophobicContact CE1-CG 3.93Å; F160-Y553 HydrophobicContact CE2-CD2 4.2Å; F160-Y553 AromaticContact CE2-CG 3.87Å; F160-Y553 HydrophobicContact CE2-CG 3.87Å; F160-Y553 AromaticContact CG-CD2 3.7Å; F160-Y553 HydrophobicContact CG-CD2 3.7Å; F160-Y553 HydrophobicContact CG-CE2 4.42Å; F160-Y553 HydrophobicContact CG-CG 4.23Å; F160-Y553 HydrophobicContact CZ-CD1 4.24Å; F160-Y553 HydrophobicContact CZ-CD2 4.15Å; F160-Y553 AromaticContact CZ-CG 3.79Å; F160-Y553 HydrophobicContact CZ-CG 3.79Å; L170-Y553 HydrophobicContact CD2-CE2 3.81Å; D172-Y553 WeakPolarHBondContact OD1-CE1 3.33Å; D172-Y553 PolarHBondContact OD1-OH 3.2Å; V173-Y553 HydrophobicContact CB-CD1 4.44Å; V173-Y553 HydrophobicContact CB-CE1 4.27Å; V173-Y553 HydrophobicContact CG2-CD1 4.16Å; V173-Y553 HydrophobicContact CG2-CE1 4.03Å; L549-Y553 PolarHBondContact O-N 3.12Å; L549-Y553 VanDerWaalsContact O-N 3.11Å; I550-Y553 WeakPolarHBondContact O-CB 3.47Å; I550-Y553 PolarHBondContact O-N 2.68Å; Q551-Y553 VanDerWaalsContact C-N 3.28Å; Q551-Y553 PolarHBondContact O-N 3.25Å; Y553-Q555 VanDerWaalsContact C-N 3.35Å; Y553-R556 PolarHBondContact O-N 3.24Å; Y553-R560 PolarHBondContact OH-NH1 3.17Å
554	F	91.4	Very high	90.4	Very high	11 Å²	11	53.2 Å²	53.2	5%	0.048	26%	0.256	C	S	.	.	H	α-helix	trans	-66.7	-34.8	175.9	-65.2	-30.9	0	0	0	113.1	F82 V173 K175 I550 Q551 Q552 R556 D557 R562	F82-F554 HydrophobicContact CE2-CB 4.14Å; V173-F554 HydrophobicContact CB-CE1 4.2Å; V173-F554 HydrophobicContact CB-CZ 4.36Å; V173-F554 HydrophobicContact CG1-CZ 4.49Å; K175-F554 HydrophobicContact CB-CZ 4.31Å; I550-F554 HydrophobicContact CG2-CD2 3.95Å; I550-F554 HydrophobicContact CG2-CE1 4.46Å; I550-F554 HydrophobicContact CG2-CE2 3.38Å; I550-F554 HydrophobicContact CG2-CZ 3.68Å; I550-F554 WeakPolarHBondContact O-CG 3.47Å; I550-F554 PolarHBondContact O-N 3.13Å; Q551-F554 PolarHBondContact O-N 3.44Å; Q551-F554 VanDerWaalsContact O-N 3.1Å; Q552-F554 VanDerWaalsContact C-N 3.34Å; Q552-F554 PolarHBondContact O-N 3.34Å; F554-R556 VanDerWaalsContact C-N 3.29Å; F554-R556 PolarHBondContact O-N 2.75Å; F554-D557 CarbonylContact O-C 3.53Å; F554-D557 VanDerWaalsContact O-C 3.26Å; F554-D557 PolarHBondContact O-N 3.06Å; F554-R562 PolarHBondContact O-NH2 3.45Å
555	Q	92	Very high	89.9	Confident	111 Å²	111	51 Å²	51	52%	0.519	25%	0.247	S	C	.	.	H	α-helix	trans	-67.9	-23.3	177.9	-72.7	171	-6.5	0	0	114.1	F82 Q551 Q552 Y553 D557 P558	F82-Q555 HydrophobicContact CE1-CG 3.77Å; F82-Q555 HydrophobicContact CE2-CG 3.95Å; F82-Q555 HydrophobicContact CZ-CB 4.47Å; F82-Q555 HydrophobicContact CZ-CG 3.24Å; Q551-Q555 VanDerWaalsContact O-CG 3.31Å; Q551-Q555 WeakPolarHBondContact O-CG 3.49Å; Q551-Q555 PolarHBondContact O-N 2.85Å; Q552-Q555 PolarHBondContact O-N 3.33Å; Y553-Q555 VanDerWaalsContact C-N 3.35Å; Q555-D557 PolarHBondContact O-N 3.18Å; Q555-P558 WeakPolarHBondContact O-CD 3.45Å
556	R	90.3	Very high	89.2	Confident	147 Å²	147	50.6 Å²	50.6	56%	0.555	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-26.8	176.2	-70	175.4	-179.6	-176.4	-2.5	112.9	F160 Q552 Y553 F554	F160-R556 PolarHBondContact O-NH1 3.38Å; Q552-R556 PolarHBondContact O-N 3.46Å; Y553-R556 PolarHBondContact O-N 3.24Å; F554-R556 VanDerWaalsContact C-N 3.29Å; F554-R556 PolarHBondContact O-N 2.75Å
557	D	88.4	Confident	88.3	Confident	72 Å²	72	55.4 Å²	55.4	39%	0.385	27%	0.27	S	S	.	.	S	Bend	trans	-147.9	82.2	175.1	-170.5	-10.4	0	0	0	109	F554 Q555 N559 R560 R562	F554-D557 CarbonylContact O-C 3.53Å; F554-D557 VanDerWaalsContact O-C 3.26Å; F554-D557 PolarHBondContact O-N 3.06Å; Q555-D557 PolarHBondContact O-N 3.18Å; D557-N559 PolarHBondContact O-N 3.42Å; D557-R560 HydrophobicContact CB-CB 4.03Å; D557-R560 WeakPolarHBondContact O-CB 3.33Å; D557-R560 PolarHBondContact O-N 3.17Å; D557-R560 PolarHBondContact OD1-N 3.49Å; D557-R560 WeakPolarHBondContact OD2-CB 3.35Å; D557-R562 PolarHBondContact O-NH2 3.41Å
558	P	84.9	Confident	87.4	Confident	51 Å²	51	58 Å²	58	33%	0.331	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-19.3	-172.9	29.6	-34	0	0	0	112.1	S80 F82 Q555	S80-P558 WeakPolarHBondContact CB-O 3.19Å; S80-P558 PolarHBondContact OG-O 2.91Å; F82-P558 HydrophobicContact CD2-CB 4.29Å; Q555-P558 WeakPolarHBondContact O-CD 3.45Å
559	N	85.1	Confident	86.4	Confident	147 Å²	147	54.9 Å²	54.9	79%	0.786	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-10.1	179.4	-64.6	-33.6	0	0	0	112.4	D557 T561	D557-N559 PolarHBondContact O-N 3.42Å; N559-T561 PolarHBondContact O-N 2.99Å
560	R	86.3	Confident	85.1	Confident	75 Å²	75	57.9 Å²	57.9	28%	0.283	30%	0.3	S	S	.	.	S	Bend	trans	-59.1	126.8	177.1	-164.4	166.6	-177.2	-155.2	-3.4	111.6	I171 Y553 D557 R562	I171-R560 VanDerWaalsContact O-CZ 3.3Å; I171-R560 PolarHBondContact O-NH1 3.03Å; I171-R560 PolarHBondContact O-NH2 3.04Å; Y553-R560 PolarHBondContact OH-NH1 3.17Å; D557-R560 HydrophobicContact CB-CB 4.03Å; D557-R560 WeakPolarHBondContact O-CB 3.33Å; D557-R560 PolarHBondContact O-N 3.17Å; D557-R560 PolarHBondContact OD1-N 3.49Å; D557-R560 WeakPolarHBondContact OD2-CB 3.35Å; R560-R562 WeakPolarHBondContact O-CG 3.29Å; R560-R562 PolarHBondContact O-N 2.99Å
561	T	86.9	Confident	83.9	Confident	61 Å²	61	60.9 Å²	60.9	37%	0.374	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-59.1	123.2	168.1	-57.4	0	0	0	0	110.7	V77 R129 N559	V77-T561 HydrophobicContact CB-CG2 4.44Å; V77-T561 HydrophobicContact CG1-CG2 3.09Å; R129-T561 WeakPolarHBondContact CD-O 3.13Å; R129-T561 HydrophobicContact CG-CG2 4.04Å; R129-T561 PolarHBondContact NH1-O 3.12Å; N559-T561 PolarHBondContact O-N 2.99Å
562	R	87.7	Confident	82.8	Confident	6 Å²	6	60.3 Å²	60.3	2%	0.023	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	153.5	-176.6	-59	-58.1	175	163.1	-0.1	111.4	V78 D172 K175 F554 D557 R560	V78-R562 PolarHBondContact N-O 3.38Å; V78-R562 PolarHBondContact O-N 3.48Å; D172-R562 IonicContact OD1-CZ 3.9Å; D172-R562 IonicContact OD1-NH1 2.75Å; D172-R562 PolarHBondContact OD1-NH1 3.17Å; D172-R562 IonicContact OD2-NH1 3.75Å; K175-R562 HydrophobicContact CB-CB 4.34Å; F554-R562 PolarHBondContact O-NH2 3.45Å; D557-R562 PolarHBondContact O-NH2 3.41Å; R560-R562 WeakPolarHBondContact O-CG 3.29Å; R560-R562 PolarHBondContact O-N 2.99Å
563	V	85.8	Confident	81.5	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	141.2	176.9	-173.8	0	0	0	0	109.2	L75 A76 P128 R129 K175 L188	L75-V563 HydrophobicContact CB-CG1 3.64Å; L75-V563 HydrophobicContact CD1-CG1 4.03Å; L75-V563 HydrophobicContact CD2-CG1 3.79Å; L75-V563 HydrophobicContact CG-CG1 4.02Å; A76-V563 CarbonylContact O-C 3.56Å; A76-V563 WeakPolarHBondContact O-CA 3.27Å; A76-V563 WeakPolarHBondContact O-CG1 3.47Å; P128-V563 HydrophobicContact CG-CG1 4.3Å; R129-V563 HydrophobicContact CG-CG2 4.28Å; R129-V563 VanDerWaalsContact CZ-CG2 3.43Å; K175-V563 PolarHBondContact N-O 3.43Å; L188-V563 HydrophobicContact CD1-CB 4.08Å; L188-V563 HydrophobicContact CD1-CG1 4.26Å; L188-V563 HydrophobicContact CD1-CG2 3.97Å
564	V	85.4	Confident	80.3	Confident	19 Å²	19	62.9 Å²	62.9	12%	0.115	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	159.7	171.1	-61.9	0	0	0	0	109.8	L75 A76 V78 K175	L75-V564 WeakPolarHBondContact CA-O 3.43Å; A76-V564 HydrophobicContact CB-CG2 3.96Å; A76-V564 PolarHBondContact N-O 3.48Å; A76-V564 PolarHBondContact O-N 3.33Å; V78-V564 HydrophobicContact CB-CG1 4.13Å; V78-V564 HydrophobicContact CG2-CB 4.18Å; V78-V564 HydrophobicContact CG2-CG1 3.59Å; V78-V564 HydrophobicContact CG2-CG2 3.5Å; K175-V564 HydrophobicContact CB-CG1 4.08Å
565	I	82	Confident	79.1	Confident	36 Å²	36	62.4 Å²	62.4	19%	0.185	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	128.8	170.5	-53.5	172.2	0	0	0	108.4	V174 N567 F572 F575	V174-I565 HydrophobicContact CG1-CD1 4.48Å; V174-I565 HydrophobicContact CG1-CG1 3.73Å; I565-N567 PolarHBondContact O-N 2.76Å; I565-N567 PolarHBondContact O-OD1 3.1Å; I565-F572 HydrophobicContact CG2-CD2 3.77Å; I565-F572 HydrophobicContact CG2-CE2 3.58Å; I565-F575 HydrophobicContact CD1-CE1 3.97Å; I565-F575 HydrophobicContact CD1-CZ 4.34Å; I565-F575 HydrophobicContact CG2-CE1 4.19Å
566	N	78.2	Confident	77.9	Confident	22 Å²	22	59.9 Å²	59.9	12%	0.118	32%	0.321	C	S	.	.			trans	-85.4	93.7	172.4	-179.5	7.8	0	0	0	109.6	P73 V74 A76 S568 S569	P73-N566 WeakPolarHBondContact O-CB 3.34Å; P73-N566 PolarHBondContact O-ND2 3.41Å; V74-N566 WeakPolarHBondContact O-CB 3.26Å; V74-N566 PolarHBondContact O-N 3.34Å; A76-N566 HydrophobicContact CB-CB 4.03Å; N566-S568 PolarHBondContact O-N 3.28Å; N566-S568 VanDerWaalsContact O-N 3.08Å; N566-S568 WeakPolarHBondContact OD1-CB 3.31Å; N566-S568 PolarHBondContact OD1-N 3.41Å; N566-S568 VanDerWaalsContact OD1-N 3.11Å; N566-S569 WeakPolarHBondContact O-CB 3.33Å; N566-S569 PolarHBondContact O-N 2.98Å; N566-S569 PolarHBondContact OD1-N 2.91Å
567	N	75.3	Confident	76.6	Confident	101 Å²	101	59.8 Å²	59.8	54%	0.54	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-11.2	-179.6	-60.5	4	0	0	0	113.6	I565 F572	I565-N567 PolarHBondContact O-N 2.76Å; I565-N567 PolarHBondContact O-OD1 3.1Å; N567-F572 HydrophobicContact CB-CD1 4.26Å; N567-F572 HydrophobicContact CB-CD2 4.39Å; N567-F572 HydrophobicContact CB-CE1 3.78Å; N567-F572 HydrophobicContact CB-CE2 3.93Å; N567-F572 HydrophobicContact CB-CZ 3.56Å; N567-F572 VanDerWaalsContact O-CD1 3.25Å; N567-F572 WeakPolarHBondContact O-CD1 3.24Å; N567-F572 WeakPolarHBondContact OD1-CE2 3.46Å; N567-F572 VanDerWaalsContact OD1-CZ 3.29Å; N567-F572 WeakPolarHBondContact OD1-CZ 3.26Å
568	S	74	Confident	75.1	Confident	101 Å²	101	57.2 Å²	57.2	71%	0.706	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-1.6	175.4	-54.8	0	0	0	0	113.3	N566	N566-S568 PolarHBondContact O-N 3.28Å; N566-S568 VanDerWaalsContact O-N 3.08Å; N566-S568 WeakPolarHBondContact OD1-CB 3.31Å; N566-S568 PolarHBondContact OD1-N 3.41Å; N566-S568 VanDerWaalsContact OD1-N 3.11Å
569	S	72.1	Confident	73.4	Confident	6 Å²	6	56.2 Å²	56.2	4%	0.042	31%	0.306	C	S	.	.	S	Bend	trans	-65	137.2	174.4	178.2	0	0	0	0	110.2	G72 N566 N571 F572	G72-S569 PolarHBondContact O-OG 3.32Å; N566-S569 WeakPolarHBondContact O-CB 3.33Å; N566-S569 PolarHBondContact O-N 2.98Å; N566-S569 PolarHBondContact OD1-N 2.91Å; S569-N571 PolarHBondContact O-N 3.31Å; S569-N571 VanDerWaalsContact O-N 3.14Å; S569-N571 PolarHBondContact OG-N 2.83Å; S569-F572 WeakPolarHBondContact O-CB 3.49Å; S569-F572 PolarHBondContact O-N 2.92Å
570	P	67.3	Low	71.2	Confident	72 Å²	72	53.5 Å²	53.5	47%	0.468	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-23.2	176.8	20.9	-28.5	0	0	0	113.1	F572	P570-F572 VanDerWaalsContact C-N 3.32Å
571	N	68.6	Low	68.6	Low	72 Å²	72	53.5 Å²	53.5	39%	0.385	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-6	176.6	-66.8	-23.3	0	0	0	113.1	V74 E111 S569 Q573 S574 F575	V74-N571 HydrophobicContact CG2-CB 3.6Å; E111-N571 WeakPolarHBondContact OE2-CB 3.37Å; E111-N571 PolarHBondContact OE2-ND2 3.36Å; S569-N571 PolarHBondContact O-N 3.31Å; S569-N571 VanDerWaalsContact O-N 3.14Å; S569-N571 PolarHBondContact OG-N 2.83Å; N571-Q573 VanDerWaalsContact C-N 3.3Å; N571-Q573 PolarHBondContact O-N 3.48Å; N571-S574 WeakPolarHBondContact O-CB 3.48Å; N571-S574 PolarHBondContact O-N 3.27Å; N571-S574 VanDerWaalsContact O-N 3.11Å; N571-F575 WeakPolarHBondContact O-CB 3.38Å; N571-F575 PolarHBondContact O-N 3.3Å
572	F	69.5	Low	65.8	Low	28 Å²	28	56.9 Å²	56.9	12%	0.123	32%	0.32	C	S	.	.	H	α-helix	trans	-57.1	-39.9	-178.5	179.7	-114.6	0	0	0	113	I565 N567 S569 P570 F575 I576	I565-F572 HydrophobicContact CG2-CD2 3.77Å; I565-F572 HydrophobicContact CG2-CE2 3.58Å; N567-F572 HydrophobicContact CB-CD1 4.26Å; N567-F572 HydrophobicContact CB-CD2 4.39Å; N567-F572 HydrophobicContact CB-CE1 3.78Å; N567-F572 HydrophobicContact CB-CE2 3.93Å; N567-F572 HydrophobicContact CB-CZ 3.56Å; N567-F572 VanDerWaalsContact O-CD1 3.25Å; N567-F572 WeakPolarHBondContact O-CD1 3.24Å; N567-F572 WeakPolarHBondContact OD1-CE2 3.46Å; N567-F572 VanDerWaalsContact OD1-CZ 3.29Å; N567-F572 WeakPolarHBondContact OD1-CZ 3.26Å; S569-F572 WeakPolarHBondContact O-CB 3.49Å; S569-F572 PolarHBondContact O-N 2.92Å; P570-F572 VanDerWaalsContact C-N 3.32Å; F572-F575 HydrophobicContact CD2-CD1 4.42Å; F572-F575 WeakPolarHBondContact O-CB 3.36Å; F572-F575 PolarHBondContact O-N 3.42Å; F572-I576 HydrophobicContact CD1-CD1 4.06Å; F572-I576 HydrophobicContact CD2-CD1 4.25Å; F572-I576 HydrophobicContact CD2-CG1 4.38Å; F572-I576 HydrophobicContact CE1-CD1 3.39Å; F572-I576 HydrophobicContact CE1-CG1 4.4Å; F572-I576 HydrophobicContact CE2-CD1 3.6Å; F572-I576 HydrophobicContact CE2-CG1 4.05Å; F572-I576 HydrophobicContact CG-CD1 4.47Å; F572-I576 HydrophobicContact CZ-CD1 3.15Å; F572-I576 HydrophobicContact CZ-CG1 4.09Å; F572-I576 WeakPolarHBondContact O-CG1 3.32Å; F572-I576 PolarHBondContact O-N 3.28Å
573	Q	67	Low	62.9	Low	114 Å²	114	65.4 Å²	65.4	53%	0.533	37%	0.374	S	S	.	.	H	α-helix	trans	-66.3	-40.6	178	-72.7	-64.5	-27.4	0	0	112.2	N571 I576 K577	N571-Q573 VanDerWaalsContact C-N 3.3Å; N571-Q573 PolarHBondContact O-N 3.48Å; Q573-I576 PolarHBondContact O-N 3.44Å; Q573-K577 WeakPolarHBondContact O-CB 3.37Å; Q573-K577 VanDerWaalsContact O-CG 3.3Å; Q573-K577 WeakPolarHBondContact O-CG 3.04Å; Q573-K577 PolarHBondContact O-N 3.04Å
574	S	68.2	Low	61.8	Low	69 Å²	69	68.7 Å²	68.7	48%	0.483	39%	0.392	S	S	.	.	H	α-helix	trans	-65.1	-43.7	175.2	-169.3	0	0	0	0	110.9	N571 I576 K577 S578	N571-S574 WeakPolarHBondContact O-CB 3.48Å; N571-S574 PolarHBondContact O-N 3.27Å; N571-S574 VanDerWaalsContact O-N 3.11Å; S574-I576 PolarHBondContact O-N 3.41Å; S574-K577 PolarHBondContact O-N 2.79Å; S574-S578 PolarHBondContact O-N 3.36Å
575	F	66.2	Low	60.6	Low	1 Å²	1	71.3 Å²	71.3	0%	0.004	41%	0.407	C	S	.	.	H	α-helix	trans	-55.3	-49.3	174.4	175.4	-102.3	0	0	0	112	V74 W123 L136 R138 I565 N571 F572 S578	V74-F575 HydrophobicContact CG1-CB 4.46Å; V74-F575 HydrophobicContact CG1-CD1 4.34Å; V74-F575 HydrophobicContact CG1-CD2 4.15Å; V74-F575 HydrophobicContact CG1-CE2 4.45Å; V74-F575 HydrophobicContact CG1-CG 4.06Å; W123-F575 AromaticContact CD1-CD2 3.93Å; W123-F575 HydrophobicContact CD2-CD2 4.03Å; W123-F575 AromaticContact CE2-CD2 3.99Å; W123-F575 HydrophobicContact CG-CD2 4.02Å; W123-F575 HydrophobicContact CG-CE2 4.32Å; W123-F575 VanDerWaalsContact CZ2-CA 3.49Å; W123-F575 HydrophobicContact CZ2-CB 4.39Å; W123-F575 AromaticContact NE1-CD2 3.9Å; L136-F575 HydrophobicContact CD2-CD2 4.34Å; L136-F575 HydrophobicContact CD2-CE2 3.32Å; L136-F575 HydrophobicContact CD2-CZ 3.66Å; L136-F575 HydrophobicContact CG-CE2 3.99Å; L136-F575 HydrophobicContact CG-CZ 4.31Å; R138-F575 VanDerWaalsContact CD-CE2 3.44Å; R138-F575 HydrophobicContact CG-CE2 3.91Å; R138-F575 HydrophobicContact CG-CZ 3.64Å; R138-F575 PolarHBondContact NH1-O 3.46Å; I565-F575 HydrophobicContact CD1-CE1 3.97Å; I565-F575 HydrophobicContact CD1-CZ 4.34Å; I565-F575 HydrophobicContact CG2-CE1 4.19Å; N571-F575 WeakPolarHBondContact O-CB 3.38Å; N571-F575 PolarHBondContact O-N 3.3Å; F572-F575 HydrophobicContact CD2-CD1 4.42Å; F572-F575 WeakPolarHBondContact O-CB 3.36Å; F572-F575 PolarHBondContact O-N 3.42Å; F575-S578 PolarHBondContact O-OG 2.99Å
576	I	67.5	Low	59.4	Low	58 Å²	58	73.3 Å²	73.3	30%	0.297	42%	0.419	S	S	.	.	H	α-helix	trans	-66.9	-46.8	177	-69.6	-174	0	0	0	112.5	F572 Q573 S574 S578 S579	F572-I576 HydrophobicContact CD1-CD1 4.06Å; F572-I576 HydrophobicContact CD2-CD1 4.25Å; F572-I576 HydrophobicContact CD2-CG1 4.38Å; F572-I576 HydrophobicContact CE1-CD1 3.39Å; F572-I576 HydrophobicContact CE1-CG1 4.4Å; F572-I576 HydrophobicContact CE2-CD1 3.6Å; F572-I576 HydrophobicContact CE2-CG1 4.05Å; F572-I576 HydrophobicContact CG-CD1 4.47Å; F572-I576 HydrophobicContact CZ-CD1 3.15Å; F572-I576 HydrophobicContact CZ-CG1 4.09Å; F572-I576 WeakPolarHBondContact O-CG1 3.32Å; F572-I576 PolarHBondContact O-N 3.28Å; Q573-I576 PolarHBondContact O-N 3.44Å; S574-I576 PolarHBondContact O-N 3.41Å; I576-S578 VanDerWaalsContact C-N 3.27Å; I576-S578 PolarHBondContact O-N 2.87Å; I576-S579 PolarHBondContact O-N 3.19Å; I576-S579 PolarHBondContact O-OG 2.85Å
577	K	61.4	Low	58.3	Low	145 Å²	145	76.3 Å²	76.3	63%	0.63	44%	0.437	S	S	*	.	H	α-helix	trans	-65.9	-29	-175.7	-76.9	-177.2	-179.6	-174.2	0	113.5	Q573 S574 S579 V580	Q573-K577 WeakPolarHBondContact O-CB 3.37Å; Q573-K577 VanDerWaalsContact O-CG 3.3Å; Q573-K577 WeakPolarHBondContact O-CG 3.04Å; Q573-K577 PolarHBondContact O-N 3.04Å; S574-K577 PolarHBondContact O-N 2.79Å; K577-S579 PolarHBondContact O-N 3.43Å; K577-V580 PolarHBondContact O-N 3.35Å
578	S	57.6	Low	57.2	Low	18 Å²	18	74.8 Å²	74.8	13%	0.126	43%	0.431	C	S	.	.	G	3₁₀ helix	trans	-55.5	-25.7	178	68.6	0	0	0	0	113.3	V121 W123 S574 F575 I576	V121-S578 VanDerWaalsContact CG2-C 3.47Å; V121-S578 WeakPolarHBondContact CG2-O 3.49Å; W123-S578 WeakPolarHBondContact CZ2-OG 3.33Å; W123-S578 PolarHBondContact NE1-OG 3.23Å; S574-S578 PolarHBondContact O-N 3.36Å; F575-S578 PolarHBondContact O-OG 2.99Å; I576-S578 VanDerWaalsContact C-N 3.27Å; I576-S578 PolarHBondContact O-N 2.87Å
579	S	50.1	Low	56.1	Low	29 Å²	29	73 Å²	73	20%	0.203	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-76.5	-19.9	176.1	-0.5	0	0	0	0	114.9	R138 I576 K577	R138-S579 PolarHBondContact NH1-OG 2.83Å; I576-S579 PolarHBondContact O-N 3.19Å; I576-S579 PolarHBondContact O-OG 2.85Å; K577-S579 PolarHBondContact O-N 3.43Å
580	V	37.1	Very low	54.9	Low	90 Å²	90	77.8 Å²	77.8	55%	0.545	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-90.2	-2.8	-168	-169.1	0	0	0	0	112.8	K577 F582	K577-V580 PolarHBondContact O-N 3.35Å; V580-F582 PolarHBondContact O-N 3.08Å
581	A	32.9	Very low	54	Low	76 Å²	76	78.2 Å²	78.2	63%	0.628	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-68.6	6.2	177.2	0	0	0	0	0	114.4
582	F	28	Very low	52.8	Low	131 Å²	131	78.8 Å²	78.8	58%	0.575	44%	0.441	S	S	*	.			trans	-112.9	65	172.1	-76	-82.6	0	0	0	111	L273 V580	L273-F582 HydrophobicContact CD1-CE1 4.23Å; V580-F582 PolarHBondContact O-N 3.08Å
583	T	27.6	Very low	51.2	Low	186 Å²	186	83.4 Å²	83.4	100%	1.141	47%	0.47	S	S	*	.			trans	-141.2	0	150.9	53.7	0	0	0	0	106.5

Retrieved 583 of 583 residues in 223.3 ms (Link to these results)

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