A0A3Q0KBZ0_SCHMA Loading...

Tyrosine-protein kinase

AlphaFold DB , UniProt , Accession A0A3Q0KBZ0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 565 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	29.8	Very low	26.3	Very low	245 Å²	245	144.7 Å²	144.7	100%	1.207	81%	0.808	S	S	*	*				0	106.3	0	-72.1	-177.9	-170.1	0	0	107.3
2	G	25.3	Very low	26.7	Very low	83 Å²	83	149.1 Å²	149.1	86%	0.856	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-80.6	130.2	179.2	0	0	0	0	0	110.9	C4	G2-C4 PolarHBondContact O-N 2.93Å
3	I	24.8	Very low	27.4	Very low	161 Å²	161	152.9 Å²	152.9	83%	0.826	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-71.9	116.4	178.3	-63.8	169.6	0	0	0	108.2
4	C	21.6	Very low	27.6	Very low	110 Å²	110	153 Å²	153	74%	0.743	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-85	118.2	174.2	-162.9	0	0	0	0	109	G2	G2-C4 PolarHBondContact O-N 2.93Å
5	L	23.5	Very low	27.9	Very low	119 Å²	119	155 Å²	155	62%	0.623	82%	0.824	S	S	*	*			trans	-84.8	109.9	171.5	-73.9	162.8	0	0	0	108.7
6	C	24.2	Very low	28	Very low	102 Å²	102	152.3 Å²	152.3	69%	0.689	82%	0.821	S	S	*	*			trans	-99.6	127.4	172.3	-74.2	0	0	0	0	111.1	Q8	C6-Q8 PolarHBondContact O-N 3.41Å
7	L	24.3	Very low	28.3	Very low	135 Å²	135	152.8 Å²	152.8	71%	0.707	82%	0.823	S	S	*	*			trans	-66.8	116.8	164.3	-79.6	156.6	0	0	0	109.4	Y22	L7-Y22 HydrophobicContact CD2-CD1 4Å
8	Q	26.8	Very low	28.2	Very low	181 Å²	181	149.6 Å²	149.6	85%	0.846	83%	0.831	S	S	*	*			trans	-104.6	132.4	171	-77	-170.7	-22.2	0	0	111.2	C6	C6-Q8 PolarHBondContact O-N 3.41Å
9	R	26.9	Very low	28.2	Very low	229 Å²	229	144.4 Å²	144.4	86%	0.864	82%	0.815	S	S	*	*			trans	-84.2	121.1	175.2	-165.1	179.6	-172.4	-174.1	3.5	108.8
10	S	30.5	Very low	28.3	Very low	110 Å²	110	142.6 Å²	142.6	77%	0.769	81%	0.813	S	S	*	*			trans	-68.7	130.7	177.8	-175.7	0	0	0	0	111.5	K12	S10-K12 PolarHBondContact O-N 3.13Å
11	P	32.1	Very low	28.4	Very low	117 Å²	117	143 Å²	143	76%	0.76	81%	0.807	S	S	*	*			trans	-85.6	108.7	170.7	31.2	-26.5	0	0	0	110.6
12	K	30.5	Very low	28.3	Very low	197 Å²	197	138.9 Å²	138.9	86%	0.857	78%	0.779	S	S	*	*			trans	35.8	113.6	152.5	-65.1	-175.7	176.1	-177.1	0	118.3	S10	S10-K12 PolarHBondContact O-N 3.13Å
13	Q	35.4	Very low	28.6	Very low	199 Å²	199	144.2 Å²	144.2	93%	0.93	78%	0.775	S	S	*	*				-136.6	140.3	128.7	-91.9	-169.3	-13.6	0	0	110.8
14	N	30.4	Very low	28.6	Very low	154 Å²	154	144.1 Å²	144.1	82%	0.824	78%	0.776	S	S	*	*			trans	-52.7	127.6	-172.5	-62.5	-37.2	0	0	0	113.5
15	Q	32.8	Very low	28.9	Very low	183 Å²	183	141.6 Å²	141.6	86%	0.855	77%	0.768	S	S	*	*				-176.6	151.4	117	-97	167.2	17	0	0	109.4	D17	Q15-D17 PolarHBondContact O-N 3.06Å; Q15-D17 VanDerWaalsContact O-N 3.13Å
16	S	29.5	Very low	29.3	Very low	111 Å²	111	141.1 Å²	141.1	78%	0.776	78%	0.775	S	S	*	*			trans	-53.1	102.6	-175.2	47.2	0	0	0	0	113.5
17	D	32.2	Very low	29.5	Very low	162 Å²	162	142.6 Å²	142.6	87%	0.866	78%	0.781	S	S	*	*			trans	-170.6	134.6	132.1	-95	-25.1	0	0	0	109.7	Q15 G19	Q15-D17 PolarHBondContact O-N 3.06Å; Q15-D17 VanDerWaalsContact O-N 3.13Å; D17-G19 PolarHBondContact O-N 2.84Å
18	G	27.3	Very low	29.7	Very low	94 Å²	94	142 Å²	142	97%	0.969	79%	0.785	S	S	*	*			trans	-75.4	89.3	-172.7	0	0	0	0	0	112.4
19	G	27.7	Very low	29.8	Very low	51 Å²	51	139.6 Å²	139.6	53%	0.526	78%	0.783	S	S	.	*			trans	-147.9	118.6	169.7	0	0	0	0	0	111.2	D17	D17-G19 PolarHBondContact O-N 2.84Å
20	S	29.5	Very low	29.9	Very low	109 Å²	109	134.9 Å²	134.9	76%	0.762	78%	0.779	S	S	*	*			trans	-83.6	112.3	173.3	-62	0	0	0	0	109.5
21	H	30.4	Very low	29.7	Very low	150 Å²	150	134 Å²	134	69%	0.694	78%	0.779	S	S	*	*			trans	-91.3	129.4	173.1	-69	-81.4	0	0	0	110.9	Y23	H21-Y23 HydrophobicContact CB-CE2 3.98Å
22	Y	29.7	Very low	29.4	Very low	160 Å²	160	136.6 Å²	136.6	63%	0.627	79%	0.786	S	S	*	*			trans	-110.5	137.8	167.3	-64.6	-85.2	0	0	0	108.8	L7	L7-Y22 HydrophobicContact CD2-CD1 4Å
23	Y	30.9	Very low	29.1	Very low	194 Å²	194	136.4 Å²	136.4	76%	0.761	79%	0.786	S	S	*	*			trans	-121.5	139.4	173.5	-68.4	-85.2	0	0	0	109.9	H21	H21-Y23 HydrophobicContact CB-CE2 3.98Å
24	L	24.7	Very low	28.5	Very low	160 Å²	160	133.8 Å²	133.8	84%	0.838	78%	0.784	S	S	*	*			trans	-83.9	107.9	163.2	-86.3	156.8	0	0	0	107.6
25	G	28.5	Very low	28.2	Very low	57 Å²	57	129.9 Å²	129.9	59%	0.588	77%	0.773	S	S	*	*			trans	-129.1	126	176.3	0	0	0	0	0	110.7
26	S	30.5	Very low	27.7	Very low	109 Å²	109	131.2 Å²	131.2	76%	0.762	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-77.9	136.5	159	45.9	0	0	0	0	108.8
27	T	29.2	Very low	27.4	Very low	133 Å²	133	136.2 Å²	136.2	82%	0.816	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-71.4	127.1	176	38.6	0	0	0	0	110.2
28	P	29	Very low	26.9	Very low	123 Å²	123	135.8 Å²	135.8	80%	0.799	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-83.8	119.7	167.9	17.6	-4.5	0	0	0	109.3	T30	P28-T30 PolarHBondContact O-N 2.71Å; P28-T30 VanDerWaalsContact O-N 3.17Å
29	T	28.1	Very low	26.7	Very low	130 Å²	130	137.2 Å²	137.2	80%	0.798	77%	0.77	S	S	*	*			trans	-66.7	107.7	157.6	40.8	0	0	0	0	108.5
30	T	28.9	Very low	26.6	Very low	129 Å²	129	142.9 Å²	142.9	79%	0.791	78%	0.782	S	S	*	*	S	Bend	trans	40	113.5	154.2	49	0	0	0	0	119	P28	P28-T30 PolarHBondContact O-N 2.71Å; P28-T30 VanDerWaalsContact O-N 3.17Å
31	A	26	Very low	26.3	Very low	93 Å²	93	145.9 Å²	145.9	77%	0.769	78%	0.784	S	S	*	*			trans	67.6	81.5	146.4	0	0	0	0	0	118.2
32	N	26.4	Very low	26	Very low	170 Å²	170	145 Å²	145	91%	0.909	79%	0.789	S	S	*	*				-162.2	139.8	117.6	-107.2	-26.1	0	0	0	111.8
33	K	24.1	Very low	25.8	Very low	193 Å²	193	144.4 Å²	144.4	84%	0.839	80%	0.796	S	S	*	*			trans	-70.8	158.7	-178.4	-73.1	173.6	175	175.3	0	110.5
34	T	23	Very low	25.4	Very low	145 Å²	145	143.6 Å²	143.6	89%	0.89	80%	0.8	S	S	*	*			trans	78.8	89	172.1	55.9	0	0	0	0	118.3
35	A	24	Very low	25.7	Very low	72 Å²	72	142.1 Å²	142.1	60%	0.595	80%	0.797	S	S	*	*			trans	-139.4	116.7	143.2	0	0	0	0	0	108.5	Y37	A35-Y37 HydrophobicContact CB-CD2 4.42Å; A35-Y37 HydrophobicContact CB-CE2 3.76Å
36	K	21.6	Very low	25.9	Very low	211 Å²	211	145.1 Å²	145.1	92%	0.917	81%	0.806	S	S	*	*			trans	-81.1	122.9	168.7	-73.8	177.9	176	178.9	0	107
37	Y	23.7	Very low	25.9	Very low	215 Å²	215	147.1 Å²	147.1	84%	0.843	81%	0.808	S	S	*	*			trans	-106.4	124.1	167.3	-69	-79.1	0	0	0	109.2	A35	A35-Y37 HydrophobicContact CB-CD2 4.42Å; A35-Y37 HydrophobicContact CB-CE2 3.76Å
38	L	21.3	Very low	25.9	Very low	154 Å²	154	148.8 Å²	148.8	81%	0.806	81%	0.812	S	S	*	*			trans	-86.7	118.8	171.5	-127.6	89.3	0	0	0	107.7
39	C	24.7	Very low	26	Very low	124 Å²	124	146.9 Å²	146.9	84%	0.838	81%	0.814	S	S	*	*			trans	-111.8	118.3	162.3	-176.6	0	0	0	0	107
40	H	23.6	Very low	26.1	Very low	169 Å²	169	147.3 Å²	147.3	78%	0.782	82%	0.817	S	S	*	*			trans	-104.8	94.7	173.5	-106.4	-42.8	0	0	0	108.9
41	Q	24.6	Very low	26	Very low	172 Å²	172	148.3 Å²	148.3	80%	0.804	82%	0.823	S	S	*	*				178.9	118.2	129.1	-105.3	176.8	-16	0	0	110.2
42	T	23.5	Very low	26	Very low	131 Å²	131	147.8 Å²	147.8	80%	0.804	82%	0.819	S	S	*	*			trans	-97.1	118.5	169	-36.6	0	0	0	0	106.7
43	L	24.7	Very low	25.9	Very low	148 Å²	148	147.3 Å²	147.3	78%	0.775	82%	0.817	S	S	*	*			trans	-106.3	108.5	167.8	-86.3	161.4	0	0	0	108
44	E	24.4	Very low	26.1	Very low	178 Å²	178	146 Å²	146	83%	0.832	82%	0.817	S	S	*	*			trans	-83	127.6	168.4	-70.3	-177.3	162.6	0	0	108.9
45	V	30.2	Very low	26.3	Very low	129 Å²	129	142.7 Å²	142.7	78%	0.782	80%	0.804	S	S	*	*			trans	-109.8	123.4	170.7	-177	0	0	0	0	107.9
46	P	31.9	Very low	26.4	Very low	119 Å²	119	145.7 Å²	145.7	77%	0.773	82%	0.817	S	S	*	*			trans	-75.6	140.9	178.8	-7.8	23.1	0	0	0	111.8
47	N	30.3	Very low	26.8	Very low	152 Å²	152	141.3 Å²	141.3	81%	0.813	81%	0.809	S	S	*	*	S	Bend	trans	-73.2	131.2	169.9	-81.3	-31	0	0	0	110.8
48	N	30.3	Very low	26.8	Very low	168 Å²	168	138.6 Å²	138.6	90%	0.898	81%	0.809	S	S	*	*			trans	90.8	102.3	168.2	-53.7	-24.9	0	0	0	117.2
49	G	31.7	Very low	27.1	Very low	82 Å²	82	136.9 Å²	136.9	85%	0.845	80%	0.804	S	S	*	*			trans	165.9	132.8	163.1	0	0	0	0	0	113.5
50	T	29.2	Very low	27.1	Very low	140 Å²	140	136.3 Å²	136.3	86%	0.859	79%	0.793	S	S	*	*			trans	-66.9	152.9	-167.3	36.2	0	0	0	0	116.9	A52	T50-A52 PolarHBondContact O-N 3.12Å; T50-A52 VanDerWaalsContact O-N 3.08Å
51	T	27.2	Very low	27.3	Very low	149 Å²	149	137.1 Å²	137.1	91%	0.914	80%	0.797	S	S	*	*	S	Bend	trans	-69.1	90.1	178.4	50.5	0	0	0	0	113.4
52	A	25.7	Very low	27.2	Very low	82 Å²	82	136.2 Å²	136.2	68%	0.678	80%	0.797	S	S	*	*	S	Bend	trans	-167.1	136.1	150.3	0	0	0	0	0	106.7	T50	T50-A52 PolarHBondContact O-N 3.12Å; T50-A52 VanDerWaalsContact O-N 3.08Å
53	D	24.9	Very low	27.3	Very low	161 Å²	161	135.4 Å²	135.4	86%	0.861	79%	0.792	S	S	*	*			trans	82	68	179	-53.4	-26.8	0	0	0	117.7
54	I	28.5	Very low	27.2	Very low	166 Å²	166	135.6 Å²	135.6	85%	0.851	79%	0.793	S	S	*	*			trans	-132.7	115.4	148.4	-57.5	-179.9	0	0	0	108.5
55	A	26.2	Very low	27.2	Very low	74 Å²	74	137.1 Å²	137.1	61%	0.612	79%	0.792	S	S	*	*			trans	-65.6	151.2	175.3	0	0	0	0	0	111.7	T57	A55-T57 PolarHBondContact O-N 3.38Å
56	P	27.1	Very low	27	Very low	135 Å²	135	138.5 Å²	138.5	88%	0.877	80%	0.795	S	S	*	*			trans	-73.1	101.3	-175.8	30.4	-31.4	0	0	0	109.3
57	T	28.7	Very low	26.7	Very low	120 Å²	120	141.1 Å²	141.1	74%	0.736	80%	0.802	S	S	*	*			trans	-94.6	131.2	165	38.3	0	0	0	0	108.6	A55 V59	A55-T57 PolarHBondContact O-N 3.38Å; T57-V59 PolarHBondContact O-N 3.09Å
58	N	24.9	Very low	26.5	Very low	158 Å²	158	136.9 Å²	136.9	85%	0.845	79%	0.794	S	S	*	*			trans	-45.5	111.6	-176.5	-76.8	-39.4	0	0	0	113.2
59	V	26.7	Very low	26.3	Very low	118 Å²	118	134.7 Å²	134.7	72%	0.715	79%	0.789	S	S	*	*			trans	-132.1	90.7	161	-173.7	0	0	0	0	107.4	T57	T57-V59 PolarHBondContact O-N 3.09Å
60	N	24.8	Very low	26	Very low	112 Å²	112	140.2 Å²	140.2	60%	0.599	79%	0.79	S	S	*	*			trans	-90.7	139.8	165.2	-79.9	-25.1	0	0	0	108.3
61	Q	26.9	Very low	25.8	Very low	186 Å²	186	139 Å²	139	87%	0.869	79%	0.787	S	S	*	*			trans	96.9	92.1	175.9	-58.5	-172.4	-6.2	0	0	117
62	L	24	Very low	25.7	Very low	152 Å²	152	137.3 Å²	137.3	80%	0.796	78%	0.781	S	S	*	*			trans	-150.5	98	150.1	-103.8	159.7	0	0	0	108.2
63	T	25	Very low	25.6	Very low	114 Å²	114	141.9 Å²	141.9	70%	0.699	79%	0.794	S	S	*	*			trans	-87.8	105.3	169.1	-50.8	0	0	0	0	108.4	Y65	T63-Y65 HydrophobicContact CG2-CD2 4.24Å; T63-Y65 HydrophobicContact CG2-CE2 3.7Å
64	L	22.8	Very low	25.4	Very low	152 Å²	152	140.4 Å²	140.4	80%	0.796	79%	0.791	S	S	*	*			trans	-92.1	114.5	172.1	-82.3	158.5	0	0	0	109.4
65	Y	24.4	Very low	25.1	Very low	210 Å²	210	138.9 Å²	138.9	82%	0.824	79%	0.789	S	S	*	*			trans	-88.2	116.6	164.7	-69.5	-82.5	0	0	0	109.2	T63	T63-Y65 HydrophobicContact CG2-CD2 4.24Å; T63-Y65 HydrophobicContact CG2-CE2 3.7Å
66	N	25.1	Very low	24.9	Very low	158 Å²	158	140.7 Å²	140.7	85%	0.845	80%	0.797	S	S	*	*			trans	-105.3	112.7	174.8	-154.7	-3.2	0	0	0	109.3
67	L	25.2	Very low	24.7	Very low	174 Å²	174	144.1 Å²	144.1	91%	0.911	79%	0.792	S	S	*	*			trans	-110.3	98.8	173	-75.8	166.7	0	0	0	108.4
68	G	26.7	Very low	24.6	Very low	63 Å²	63	145.5 Å²	145.5	65%	0.649	80%	0.796	S	S	*	*			trans	-156.7	139.8	174.4	0	0	0	0	0	112
69	P	27.3	Very low	24.6	Very low	122 Å²	122	143.8 Å²	143.8	79%	0.792	79%	0.791	S	S	*	*			trans	-89.2	145.2	-166.7	34.6	-32.8	0	0	0	113.7
70	K	25.2	Very low	24.6	Very low	198 Å²	198	143.5 Å²	143.5	86%	0.861	79%	0.788	S	S	*	*			trans	57.9	103.5	160.7	-65.1	-175.6	178.3	-178.6	0	117.7
71	S	24.1	Very low	24.6	Very low	115 Å²	115	141.9 Å²	141.9	80%	0.804	78%	0.783	S	S	*	*				153.5	140	112.9	51.9	0	0	0	0	112.1
72	S	24.6	Very low	24.6	Very low	113 Å²	113	138 Å²	138	79%	0.79	77%	0.768	S	S	*	*			trans	59.5	107.1	177.4	67.2	0	0	0	0	118.3
73	L	23.7	Very low	24.8	Very low	178 Å²	178	134.1 Å²	134.1	93%	0.932	75%	0.751	S	S	*	*			trans	-90.5	115.5	165.5	-89.6	153.8	0	0	0	109.5
74	T	20.9	Very low	25	Very low	131 Å²	131	131.6 Å²	131.6	80%	0.804	73%	0.731	S	S	*	*			trans	-111.3	123.3	160.8	-23	0	0	0	0	106.7	S76	T74-S76 PolarHBondContact O-N 3.5Å
75	V	22	Very low	25.4	Very low	134 Å²	134	127.3 Å²	127.3	81%	0.812	71%	0.707	S	S	*	*			trans	-75.3	119.6	-179.1	176.6	0	0	0	0	109.2
76	S	22.4	Very low	25.8	Very low	112 Å²	112	120.1 Å²	120.1	78%	0.783	69%	0.685	S	S	*	*			trans	-122	126.4	156.5	75.2	0	0	0	0	109.9	T74	T74-S76 PolarHBondContact O-N 3.5Å
77	R	24.1	Very low	26.1	Very low	206 Å²	206	114 Å²	114	78%	0.777	66%	0.655	S	S	*	*			trans	-70.6	134.8	172.4	-74.6	172.5	166.9	169.7	-5.6	108.5
78	N	25.8	Very low	26.5	Very low	150 Å²	150	110.6 Å²	110.6	80%	0.802	64%	0.637	S	S	*	*			trans	-158.1	113.2	145.6	-91.2	-26.2	0	0	0	111.9
79	V	24.8	Very low	26.9	Very low	122 Å²	122	110 Å²	110	74%	0.739	63%	0.626	S	S	*	*			trans	31.7	105.8	137.8	-165.7	0	0	0	0	117.8	T81	V79-T81 HydrophobicContact CG1-CG2 4.24Å
80	V	26.7	Very low	27.3	Very low	111 Å²	111	106.1 Å²	106.1	67%	0.673	60%	0.604	S	S	*	*			trans	-95.7	118.5	159.7	177	0	0	0	0	108.1	V83	V80-V83 HydrophobicContact CG1-CG2 4.43Å
81	T	24.7	Very low	28.2	Very low	79 Å²	79	98.5 Å²	98.5	49%	0.485	57%	0.572	S	S	.	*			trans	-90.7	145.4	168.4	38.8	0	0	0	0	110.1	V79	V79-T81 HydrophobicContact CG1-CG2 4.24Å
82	D	27.3	Very low	29.2	Very low	105 Å²	105	94.1 Å²	94.1	56%	0.561	54%	0.539	S	S	*	.			trans	67.6	81.7	179.4	-93.1	-52.3	0	0	0	117.7	R545	D82-R545 IonicContact OD1-CZ 3.07Å; D82-R545 IonicContact OD1-NH2 2.73Å; D82-R545 PolarHBondContact OD1-NH2 2.95Å
83	V	27.9	Very low	30.2	Very low	70 Å²	70	93.7 Å²	93.7	42%	0.424	53%	0.528	S	S	.	.			trans	-110.1	84.1	165	-173.7	0	0	0	0	107.8	V80 C87	V80-V83 HydrophobicContact CG1-CG2 4.43Å; V83-C87 VanDerWaalsContact CG1-SG 3.6Å
84	H	29.6	Very low	31.2	Very low	60 Å²	60	87.4 Å²	87.4	28%	0.278	50%	0.501	S	S	.	.	S	Bend	trans	-137.4	-10.1	171.2	-120.8	-77.3	0	0	0	115.3
85	M	30.6	Very low	32.6	Very low	62 Å²	62	81.4 Å²	81.4	31%	0.305	46%	0.464	S	S	.	.	S	Bend	trans	-124.7	-9.7	173.7	-100	-78.7	-82.6	0	0	113	H348 Y408	M85-H348 WeakPolarHBondContact CE-CD2 3.22Å; M85-H348 PolarHBondContact SD-CD2 2.73Å; M85-H348 PolarHBondContact SD-NE2 2.78Å; M85-Y408 HydrophobicContact CE-CD2 3.25Å; M85-Y408 HydrophobicContact CE-CE2 4.12Å; M85-Y408 HydrophobicContact CE-CG 3.82Å
86	T	33.1	Very low	33.6	Very low	59 Å²	59	77.9 Å²	77.9	36%	0.362	44%	0.443	S	S	.	.			trans	-89.4	-17	-167.3	41.7	0	0	0	0	114	L88 A89 A90	T86-L88 VanDerWaalsContact C-N 3.34Å; T86-L88 PolarHBondContact O-N 2.79Å; T86-L88 VanDerWaalsContact O-N 3.13Å; T86-A89 CarbonylContact O-C 3.58Å; T86-A89 PolarHBondContact O-N 3.03Å; T86-A90 VanDerWaalsContact O-CA 3.3Å; T86-A90 WeakPolarHBondContact O-CA 3.44Å; T86-A90 WeakPolarHBondContact O-CB 3.33Å; T86-A90 PolarHBondContact O-N 3.22Å
87	C	31.5	Very low	34.6	Very low	30 Å²	30	76 Å²	76	20%	0.203	43%	0.43	C	S	.	.	H	α-helix	trans	-66.5	-24.2	-168.8	-68.6	0	0	0	0	116.7	V83 Q91 N183	V83-C87 VanDerWaalsContact CG1-SG 3.6Å; C87-Q91 WeakPolarHBondContact O-CB 3.37Å; C87-Q91 VanDerWaalsContact O-CG 3.23Å; C87-Q91 WeakPolarHBondContact O-CG 3.5Å; C87-Q91 PolarHBondContact O-N 3.09Å; C87-N183 HydrophobicContact CB-CB 4.29Å; C87-N183 WeakPolarHBondContact CB-ND2 3.49Å; C87-N183 PolarHBondContact SG-OD1 3.13Å
88	L	33.8	Very low	35.5	Very low	103 Å²	103	69.3 Å²	69.3	54%	0.539	42%	0.419	S	S	.	.	H	α-helix	trans	-77.6	-47.6	172.4	-105.2	151.3	0	0	0	110.9	T86 A90 Q91 N92	T86-L88 VanDerWaalsContact C-N 3.34Å; T86-L88 PolarHBondContact O-N 2.79Å; T86-L88 VanDerWaalsContact O-N 3.13Å; L88-A90 VanDerWaalsContact C-N 3.32Å; L88-A90 PolarHBondContact O-N 3.01Å; L88-Q91 PolarHBondContact O-N 3.03Å; L88-N92 WeakPolarHBondContact O-CB 3.2Å; L88-N92 PolarHBondContact O-N 2.66Å
89	A	34.7	Very low	36.4	Very low	51 Å²	51	65.1 Å²	65.1	42%	0.421	40%	0.396	S	S	.	.	H	α-helix	trans	-63	-37.6	173.7	0	0	0	0	0	112.2	T86 N92 D93	T86-A89 CarbonylContact O-C 3.58Å; T86-A89 PolarHBondContact O-N 3.03Å; A89-N92 CarbonylContact O-C 3.58Å; A89-N92 WeakPolarHBondContact O-CB 3.45Å; A89-N92 PolarHBondContact O-N 3.08Å; A89-D93 WeakPolarHBondContact O-CB 3.28Å; A89-D93 PolarHBondContact O-N 3.1Å
90	A	36.9	Very low	36.8	Very low	40 Å²	40	63.5 Å²	63.5	33%	0.331	39%	0.39	S	S	.	.	H	α-helix	trans	-79.9	-27	179	0	0	0	0	0	112.1	T86 L88 A94	T86-A90 VanDerWaalsContact O-CA 3.3Å; T86-A90 WeakPolarHBondContact O-CA 3.44Å; T86-A90 WeakPolarHBondContact O-CB 3.33Å; T86-A90 PolarHBondContact O-N 3.22Å; L88-A90 VanDerWaalsContact C-N 3.32Å; L88-A90 PolarHBondContact O-N 3.01Å; A90-A94 WeakPolarHBondContact O-CA 3.49Å; A90-A94 WeakPolarHBondContact O-CB 3.35Å; A90-A94 PolarHBondContact O-N 2.87Å
91	Q	43.3	Very low	36.9	Very low	38 Å²	38	63.6 Å²	63.6	18%	0.178	39%	0.391	C	S	.	.	H	α-helix	trans	-66.3	-49.2	162.3	-88.4	179.2	-19.4	0	0	109	C87 L88 D93 A94 I95	C87-Q91 WeakPolarHBondContact O-CB 3.37Å; C87-Q91 VanDerWaalsContact O-CG 3.23Å; C87-Q91 WeakPolarHBondContact O-CG 3.5Å; C87-Q91 PolarHBondContact O-N 3.09Å; L88-Q91 PolarHBondContact O-N 3.03Å; Q91-D93 VanDerWaalsContact C-N 3.29Å; Q91-D93 PolarHBondContact O-N 3.17Å; Q91-A94 PolarHBondContact O-N 3.04Å; Q91-I95 WeakPolarHBondContact O-CB 3.24Å; Q91-I95 VanDerWaalsContact O-CD1 3.31Å; Q91-I95 WeakPolarHBondContact O-CD1 3.48Å; Q91-I95 WeakPolarHBondContact O-CG1 3.4Å; Q91-I95 PolarHBondContact O-N 3.45Å
92	N	45	Very low	37.3	Very low	23 Å²	23	66.5 Å²	66.5	12%	0.123	41%	0.408	C	S	.	.	H	α-helix	trans	-57	-41.9	175.2	-73.5	-1.7	0	0	0	111.7	L88 A89 T96 W150	L88-N92 WeakPolarHBondContact O-CB 3.2Å; L88-N92 PolarHBondContact O-N 2.66Å; A89-N92 CarbonylContact O-C 3.58Å; A89-N92 WeakPolarHBondContact O-CB 3.45Å; A89-N92 PolarHBondContact O-N 3.08Å; N92-T96 VanDerWaalsContact O-CB 3.23Å; N92-T96 WeakPolarHBondContact O-CB 3.23Å; N92-T96 PolarHBondContact O-N 2.84Å; N92-T96 PolarHBondContact O-OG1 3.15Å; N92-W150 VanDerWaalsContact OD1-CZ2 3.31Å; N92-W150 WeakPolarHBondContact OD1-CZ2 3.34Å
93	D	46	Very low	37.4	Very low	104 Å²	104	66.5 Å²	66.5	56%	0.556	42%	0.416	S	S	*	.	H	α-helix	trans	-73.1	-37	178.1	-70.4	-30.2	0	0	0	112.2	A89 Q91 I95 T96 S97	A89-D93 WeakPolarHBondContact O-CB 3.28Å; A89-D93 PolarHBondContact O-N 3.1Å; Q91-D93 VanDerWaalsContact C-N 3.29Å; Q91-D93 PolarHBondContact O-N 3.17Å; D93-I95 VanDerWaalsContact C-N 3.35Å; D93-T96 PolarHBondContact O-N 2.94Å; D93-S97 WeakPolarHBondContact O-CA 3.49Å; D93-S97 WeakPolarHBondContact O-CB 3.39Å; D93-S97 PolarHBondContact O-N 3.15Å; D93-S97 PolarHBondContact O-OG 2.95Å
94	A	45.1	Very low	37.4	Very low	45 Å²	45	69.8 Å²	69.8	37%	0.372	44%	0.439	S	S	.	.	H	α-helix	trans	-64.8	-42.9	174.5	0	0	0	0	0	110.3	A90 Q91 S97 A98	A90-A94 WeakPolarHBondContact O-CA 3.49Å; A90-A94 WeakPolarHBondContact O-CB 3.35Å; A90-A94 PolarHBondContact O-N 2.87Å; Q91-A94 PolarHBondContact O-N 3.04Å; A94-S97 PolarHBondContact O-OG 3.33Å; A94-A98 VanDerWaalsContact O-CB 3.22Å; A94-A98 WeakPolarHBondContact O-CB 3.46Å; A94-A98 PolarHBondContact O-N 3.47Å
95	I	48.9	Very low	37.4	Very low	5 Å²	5	70.9 Å²	70.9	3%	0.026	47%	0.467	C	S	.	.	H	α-helix	trans	-65.1	-42.9	175	-57.9	164.7	0	0	0	109.2	Q91 D93 I99 V115 M145 W150 L170	Q91-I95 WeakPolarHBondContact O-CB 3.24Å; Q91-I95 VanDerWaalsContact O-CD1 3.31Å; Q91-I95 WeakPolarHBondContact O-CD1 3.48Å; Q91-I95 WeakPolarHBondContact O-CG1 3.4Å; Q91-I95 PolarHBondContact O-N 3.45Å; D93-I95 VanDerWaalsContact C-N 3.35Å; I95-I99 WeakPolarHBondContact O-CD1 3.44Å; I95-I99 WeakPolarHBondContact O-CG1 3.33Å; I95-V115 HydrophobicContact CG2-CB 4.35Å; I95-V115 HydrophobicContact CG2-CG1 3.97Å; I95-V115 HydrophobicContact CG2-CG2 4.23Å; I95-M145 HydrophobicContact CB-CE 3.8Å; I95-M145 HydrophobicContact CG2-CE 2.99Å; I95-W150 HydrophobicContact CD1-CH2 3.27Å; I95-W150 HydrophobicContact CD1-CZ2 4.08Å; I95-W150 HydrophobicContact CD1-CZ3 3.86Å; I95-L170 HydrophobicContact CD1-CD1 4.31Å; I95-L170 HydrophobicContact CD1-CD2 3.96Å; I95-L170 HydrophobicContact CD1-CG 3.88Å; I95-L170 HydrophobicContact CG1-CD1 3.78Å; I95-L170 HydrophobicContact CG1-CD2 3.57Å; I95-L170 HydrophobicContact CG1-CG 3.74Å
96	T	43.6	Very low	37.3	Very low	61 Å²	61	71.2 Å²	71.2	37%	0.374	49%	0.486	S	S	.	.	H	α-helix	trans	-68.4	-38.7	179.4	-57.6	0	0	0	0	112.5	N92 D93 S100	N92-T96 VanDerWaalsContact O-CB 3.23Å; N92-T96 WeakPolarHBondContact O-CB 3.23Å; N92-T96 PolarHBondContact O-N 2.84Å; N92-T96 PolarHBondContact O-OG1 3.15Å; D93-T96 PolarHBondContact O-N 2.94Å; T96-S100 PolarHBondContact O-N 2.86Å; T96-S100 PolarHBondContact O-OG 3.01Å
97	S	42.8	Very low	37	Very low	71 Å²	71	75 Å²	75	50%	0.497	52%	0.515	S	S	.	.	H	α-helix	trans	-76	-35.5	180	79.1	0	0	0	0	112.7	D93 A94 I99 S100	D93-S97 WeakPolarHBondContact O-CA 3.49Å; D93-S97 WeakPolarHBondContact O-CB 3.39Å; D93-S97 PolarHBondContact O-N 3.15Å; D93-S97 PolarHBondContact O-OG 2.95Å; A94-S97 PolarHBondContact O-OG 3.33Å; S97-I99 PolarHBondContact O-N 2.79Å; S97-I99 VanDerWaalsContact O-N 3.16Å; S97-S100 WeakPolarHBondContact CA-OG 3.42Å; S97-S100 PolarHBondContact O-N 2.84Å; S97-S100 PolarHBondContact O-OG 2.94Å
98	A	43.5	Very low	36.9	Very low	67 Å²	67	76.3 Å²	76.3	55%	0.554	53%	0.533	S	S	*	.	H	α-helix	trans	-61.9	-22.8	175.5	0	0	0	0	0	112.6	A94	A94-A98 VanDerWaalsContact O-CB 3.22Å; A94-A98 WeakPolarHBondContact O-CB 3.46Å; A94-A98 PolarHBondContact O-N 3.47Å
99	I	43.9	Very low	36.8	Very low	62 Å²	62	78.6 Å²	78.6	32%	0.318	55%	0.551	S	S	.	*	H	α-helix	trans	-100.5	-20.6	-177.2	-63.3	166.8	0	0	0	112.8	I95 S97 T101 V115 M145	I95-I99 WeakPolarHBondContact O-CD1 3.44Å; I95-I99 WeakPolarHBondContact O-CG1 3.33Å; S97-I99 PolarHBondContact O-N 2.79Å; S97-I99 VanDerWaalsContact O-N 3.16Å; I99-T101 PolarHBondContact O-N 2.82Å; I99-V115 HydrophobicContact CD1-CG2 3.62Å; I99-V115 HydrophobicContact CG1-CG2 3.93Å; I99-M145 HydrophobicContact CD1-CE 3.71Å; I99-M145 HydrophobicContact CD1-SD 3.46Å; I99-M145 WeakPolarHBondContact CD1-SD 3.48Å
100	S	34.5	Very low	36.5	Very low	87 Å²	87	85 Å²	85	61%	0.608	57%	0.572	S	S	*	*	S	Bend	trans	-89.1	3.1	-169.4	37	0	0	0	0	116.1	T96 S97	T96-S100 PolarHBondContact O-N 2.86Å; T96-S100 PolarHBondContact O-OG 3.01Å; S97-S100 WeakPolarHBondContact CA-OG 3.42Å; S97-S100 PolarHBondContact O-N 2.84Å; S97-S100 PolarHBondContact O-OG 2.94Å
101	T	28.3	Very low	36.7	Very low	114 Å²	114	87.3 Å²	87.3	70%	0.699	59%	0.592	S	S	*	*			trans	-93.5	112.9	169.6	55.3	0	0	0	0	110.6	I99	I99-T101 PolarHBondContact O-N 2.82Å
102	V	33.9	Very low	36.9	Very low	139 Å²	139	94.4 Å²	94.4	84%	0.842	62%	0.617	S	S	*	*			trans	154.1	120	141.1	167.3	0	0	0	0	111.2
103	S	27.7	Very low	37.4	Very low	105 Å²	105	98.9 Å²	98.9	73%	0.734	65%	0.647	S	S	*	*			trans	-67	150.6	173.2	-51.5	0	0	0	0	112.8	G105	S103-G105 PolarHBondContact O-N 3.12Å
104	P	29.7	Very low	38.7	Very low	140 Å²	140	97.6 Å²	97.6	91%	0.909	64%	0.64	S	S	*	*	S	Bend	trans	-79.4	107.9	178.2	31	-29.8	0	0	0	110.2
105	G	28.1	Very low	40.7	Very low	82 Å²	82	96.5 Å²	96.5	85%	0.845	63%	0.628	S	S	*	*			trans	-174.6	76.3	175.7	0	0	0	0	0	112.1	S103	S103-G105 PolarHBondContact O-N 3.12Å
106	G	29	Very low	42.8	Very low	69 Å²	69	99.6 Å²	99.6	71%	0.711	64%	0.643	S	S	*	*			trans	165.4	109.8	174.1	0	0	0	0	0	112.2	G108	G106-G108 PolarHBondContact O-N 3.28Å
107	S	27.6	Very low	45.2	Very low	139 Å²	139	96.7 Å²	96.7	97%	0.972	63%	0.625	S	S	*	*	S	Bend	trans	-59	98.8	171.2	44.9	0	0	0	0	110.8
108	G	28.8	Very low	47.6	Very low	57 Å²	57	97.1 Å²	97.1	59%	0.588	62%	0.616	S	S	*	*			trans	168.5	95.9	175.4	0	0	0	0	0	107.1	G106 Q110	G106-G108 PolarHBondContact O-N 3.28Å; G108-Q110 PolarHBondContact O-N 2.9Å
109	V	30.8	Very low	50	Low	152 Å²	152	93.9 Å²	93.9	92%	0.921	59%	0.589	S	S	*	*			trans	-68.8	80.4	175.4	-177.2	0	0	0	0	107.4	A111	V109-A111 PolarHBondContact O-N 2.87Å
110	Q	29	Very low	52.1	Low	184 Å²	184	92 Å²	92	86%	0.86	58%	0.579	S	S	*	*			trans	-67.5	113.5	158.1	-78.2	-175.4	-9.7	0	0	105.6	G108 R112	G108-Q110 PolarHBondContact O-N 2.9Å; Q110-R112 PolarHBondContact O-N 3Å
111	A	40.7	Very low	54.8	Low	90 Å²	90	89.2 Å²	89.2	74%	0.744	56%	0.556	S	S	*	*			trans	-51.2	126.8	175.4	0	0	0	0	0	108.7	V109	V109-A111 PolarHBondContact O-N 2.87Å
112	R	47.4	Very low	57.8	Low	187 Å²	187	85.1 Å²	85.1	71%	0.706	53%	0.532	S	S	*	.			trans	-49	134.5	174.3	-76.2	179.7	173.9	177.3	-3.2	108.7	Q110 L114	Q110-R112 PolarHBondContact O-N 3Å; R112-L114 PolarHBondContact O-N 2.76Å
113	P	55.2	Low	60.7	Low	116 Å²	116	79 Å²	79	75%	0.753	49%	0.494	S	S	*	.			trans	-63	107.5	167.9	25.1	-28.9	0	0	0	107.1	V115	P113-V115 PolarHBondContact O-N 2.83Å
114	L	74.6	Confident	63.7	Low	78 Å²	78	81.1 Å²	81.1	41%	0.408	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-68.1	128.8	175.9	-71.6	162	0	0	0	107.7	R112 Q116 F140 V141 I142	R112-L114 PolarHBondContact O-N 2.76Å; L114-Q116 PolarHBondContact O-N 2.99Å; L114-F140 HydrophobicContact CB-CB 3.88Å; L114-F140 HydrophobicContact CB-CD1 3.61Å; L114-F140 HydrophobicContact CB-CG 4.1Å; L114-F140 HydrophobicContact CD1-CB 4.08Å; L114-F140 HydrophobicContact CD1-CG 4.37Å; L114-F140 HydrophobicContact CG-CB 4.42Å; L114-V141 VanDerWaalsContact CD2-O 3.29Å; L114-V141 WeakPolarHBondContact CD2-O 3.4Å; L114-I142 HydrophobicContact CD2-CB 4.44Å; L114-I142 HydrophobicContact CD2-CG1 3.96Å
115	V	87.6	Confident	66.6	Low	21 Å²	21	75.5 Å²	75.5	13%	0.127	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	118.9	177.1	175.7	0	0	0	0	108.5	I95 I99 P113 V117 F140 V141 L170	I95-V115 HydrophobicContact CG2-CB 4.35Å; I95-V115 HydrophobicContact CG2-CG1 3.97Å; I95-V115 HydrophobicContact CG2-CG2 4.23Å; I99-V115 HydrophobicContact CD1-CG2 3.62Å; I99-V115 HydrophobicContact CG1-CG2 3.93Å; P113-V115 PolarHBondContact O-N 2.83Å; V115-V117 HydrophobicContact CG1-CG1 4.19Å; V115-F140 WeakPolarHBondContact O-CA 3.19Å; V115-V141 HydrophobicContact CB-CB 4.42Å; V115-V141 PolarHBondContact O-N 3.5Å; V115-L170 HydrophobicContact CG1-CD2 3.3Å
116	Q	92.9	Very high	69.3	Low	71 Å²	71	74 Å²	74	33%	0.332	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	126.8	177.9	-167.4	-178.8	-10.6	0	0	109.6	L114 I138 M139 F140 N171	L114-Q116 PolarHBondContact O-N 2.99Å; Q116-I138 HydrophobicContact CG-CG2 3.65Å; Q116-M139 WeakPolarHBondContact CA-O 3.28Å; Q116-F140 HydrophobicContact CB-CD1 4.15Å; Q116-F140 HydrophobicContact CB-CE1 3.85Å; Q116-F140 HydrophobicContact CG-CD1 4.38Å; Q116-F140 HydrophobicContact CG-CE1 3.9Å; Q116-F140 HydrophobicContact CG-CZ 4.19Å; Q116-N171 HydrophobicContact CB-CB 4.48Å; Q116-N171 HydrophobicContact CG-CB 4.07Å; Q116-N171 PolarHBondContact NE2-ND2 3.38Å; Q116-N171 PolarHBondContact O-N 3.43Å
117	V	93.3	Very high	72	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	154.4	177.5	-59.7	0	0	0	0	110.3	V115 I138 M139 V141 W150 I163 V168 C169	V115-V117 HydrophobicContact CG1-CG1 4.19Å; V117-I138 WeakPolarHBondContact O-CA 3.4Å; V117-M139 HydrophobicContact CG2-CB 3.86Å; V117-M139 PolarHBondContact N-O 2.87Å; V117-M139 PolarHBondContact O-N 3.36Å; V117-V141 HydrophobicContact CG1-CG2 3.74Å; V117-V141 HydrophobicContact CG2-CG2 3.98Å; V117-W150 HydrophobicContact CG1-CZ3 4.24Å; V117-I163 HydrophobicContact CG2-CD1 4.22Å; V117-V168 HydrophobicContact CB-CB 4.02Å; V117-V168 HydrophobicContact CB-CG2 4.11Å; V117-V168 HydrophobicContact CG1-CG2 4.39Å; V117-V168 HydrophobicContact CG2-CB 4.09Å; V117-V168 HydrophobicContact CG2-CG1 4.21Å; V117-V168 HydrophobicContact CG2-CG2 4.15Å; V117-C169 CarbonylContact C-O 3.53Å; V117-C169 WeakPolarHBondContact CA-O 3.48Å; V117-C169 WeakPolarHBondContact CB-O 3.47Å
118	R	92.9	Very high	74.8	Confident	79 Å²	79	75.9 Å²	75.9	30%	0.298	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	136.1	177.4	-175.5	178.7	-155.9	-170	5	109.9	L120 D137 I138 V168 C169 N171	R118-L120 PolarHBondContact O-N 3.38Å; R118-D137 CarbonylContact C-O 3.52Å; R118-D137 WeakPolarHBondContact CA-O 3.39Å; R118-I138 HydrophobicContact CB-CD1 3.84Å; R118-I138 HydrophobicContact CG-CD1 3.84Å; R118-V168 CarbonylContact O-C 3.55Å; R118-V168 WeakPolarHBondContact O-CA 3.29Å; R118-V168 WeakPolarHBondContact O-CB 3.24Å; R118-C169 PolarHBondContact N-O 2.85Å; R118-C169 PolarHBondContact O-N 3.21Å; R118-N171 HydrophobicContact CB-CB 4.07Å
119	A	93.4	Very high	77.8	Confident	0 Å²	0	76.3 Å²	76.3	0%	0	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	118.7	175.5	0	0	0	0	0	111.8	F133 Q134 G136 D137 M139	A119-F133 HydrophobicContact CB-CD2 3.5Å; A119-F133 HydrophobicContact CB-CE2 3.82Å; A119-F133 HydrophobicContact CB-CG 4.5Å; A119-Q134 WeakPolarHBondContact CB-O 3.5Å; A119-G136 PolarHBondContact O-N 3.11Å; A119-D137 HydrophobicContact CB-CB 4.37Å; A119-D137 PolarHBondContact N-O 3.41Å; A119-M139 HydrophobicContact CB-CE 3.92Å
120	L	89.2	Confident	80.8	Confident	21 Å²	21	69.9 Å²	69.9	11%	0.11	36%	0.356	C	S	.	.	S	Bend	trans	-79.4	-24.8	172	-68	177.6	0	0	0	112.2	R118 K135 Y167 C169	R118-L120 PolarHBondContact O-N 3.38Å; L120-K135 WeakPolarHBondContact O-CG 3.34Å; L120-Y167 PolarHBondContact N-O 3.04Å; L120-C169 HydrophobicContact CD1-CB 4.01Å; L120-C169 HydrophobicContact CD2-CB 4.1Å; L120-C169 HydrophobicContact CG-CB 4.03Å
121	Y	90.4	Very high	83.9	Confident	29 Å²	29	61.4 Å²	61.4	11%	0.114	32%	0.316	C	S	.	.	S	Bend	trans	-138.6	157.7	-178.8	-47	-91.2	0	0	0	109.9	F133 Y167 R279 Y281 R282 P283	Y121-F133 VanDerWaalsContact O-CE2 3.28Å; Y121-F133 WeakPolarHBondContact O-CE2 3.42Å; Y121-Y167 HydrophobicContact CD2-CD1 4.26Å; Y121-Y167 HydrophobicContact CD2-CG 4.16Å; Y121-Y167 HydrophobicContact CG-CD1 4.35Å; Y121-Y167 HydrophobicContact CG-CE1 4.49Å; Y121-R279 HydrophobicContact CD1-CB 4.45Å; Y121-R279 HydrophobicContact CE1-CB 3.74Å; Y121-R279 HydrophobicContact CE1-CG 4.38Å; Y121-Y281 WeakPolarHBondContact CE1-O 3.41Å; Y121-R282 HydrophobicContact CD1-CG 4.13Å; Y121-P283 HydrophobicContact CD2-CG 4.35Å; Y121-P283 HydrophobicContact CE2-CG 3.81Å; Y121-P283 VanDerWaalsContact CZ-CD 3.45Å
122	S	92.8	Very high	86.6	Confident	28 Å²	28	60.2 Å²	60.2	20%	0.196	30%	0.303	C	S	.	.			trans	-76.9	139.8	166.4	-56.5	0	0	0	0	110.3	F133 Q134 K135	S122-F133 CarbonylContact C-O 3.57Å; S122-F133 WeakPolarHBondContact CA-O 3.28Å; S122-Q134 PolarHBondContact OG-OE1 2.92Å; S122-K135 PolarHBondContact OG-N 2.72Å
123	Y	92.9	Very high	88.9	Confident	11 Å²	11	51.5 Å²	51.5	4%	0.043	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-128	132.8	177.8	179.4	-114.5	0	0	0	110.6	D130 L131 S132 F133 W149 P164 Y167 V285	Y123-D130 HydrophobicContact CE1-CB 4.15Å; Y123-D130 PolarHBondContact OH-OD2 3.15Å; Y123-L131 WeakPolarHBondContact CD1-O 3.22Å; Y123-S132 WeakPolarHBondContact O-CA 3.18Å; Y123-F133 HydrophobicContact CD1-CD1 4.25Å; Y123-F133 AromaticContact CD1-CE1 3.64Å; Y123-F133 HydrophobicContact CD1-CE1 3.64Å; Y123-F133 HydrophobicContact CD1-CZ 4.11Å; Y123-F133 AromaticContact CG-CE1 3.97Å; Y123-F133 HydrophobicContact CG-CE1 3.97Å; Y123-F133 AromaticContact CG-CZ 3.97Å; Y123-F133 HydrophobicContact CG-CZ 3.97Å; Y123-F133 PolarHBondContact N-O 3.5Å; Y123-F133 PolarHBondContact O-N 3.42Å; Y123-F133 VanDerWaalsContact O-O 3.11Å; Y123-W149 HydrophobicContact CE1-CZ3 4.46Å; Y123-W149 WeakPolarHBondContact OH-CH2 3.39Å; Y123-P164 HydrophobicContact CD1-CG 4.16Å; Y123-P164 HydrophobicContact CD2-CG 3.87Å; Y123-P164 HydrophobicContact CE1-CG 4.29Å; Y123-P164 HydrophobicContact CE2-CG 4.03Å; Y123-P164 HydrophobicContact CG-CG 3.97Å; Y123-Y167 HydrophobicContact CD2-CD1 4.33Å; Y123-Y167 HydrophobicContact CD2-CE1 4.17Å; Y123-Y167 HydrophobicContact CG-CD1 4.44Å; Y123-V285 HydrophobicContact CD2-CG2 4.46Å; Y123-V285 HydrophobicContact CE2-CG1 4.41Å; Y123-V285 HydrophobicContact CE2-CG2 4.22Å
124	Q	92.1	Very high	90.8	Very high	150 Å²	150	51.6 Å²	51.6	70%	0.701	26%	0.26	S	S	*	.			trans	-107.8	119.3	171.5	-177.2	175.4	7	0	0	107.7	H126	Q124-H126 PolarHBondContact O-NE2 3.01Å
125	G	89.7	Confident	91.7	Very high	21 Å²	21	52.7 Å²	52.7	22%	0.216	26%	0.262	C	S	.	.			trans	-58.3	136.4	179.7	0	0	0	0	0	112.1	D130 S132	G125-D130 VanDerWaalsContact CA-CB 3.46Å; G125-S132 PolarHBondContact N-OG 2.81Å
126	H	84.8	Confident	91.8	Very high	52 Å²	52	52.9 Å²	52.9	24%	0.241	27%	0.268	C	S	.	.	S	Bend	trans	-104.9	-23.2	177	-64.2	-60.5	0	0	0	111.9	Q124 D130 W316 S319 V320	Q124-H126 PolarHBondContact O-NE2 3.01Å; H126-D130 PolarHBondContact N-OD2 3.25Å; H126-W316 HydrophobicContact CB-CH2 3.67Å; H126-W316 HydrophobicContact CB-CZ3 3.8Å; H126-W316 AromaticContact CD2-CZ3 3.75Å; H126-W316 AromaticContact CG-CZ3 3.76Å; H126-S319 PolarHBondContact CE1-OG 3.39Å; H126-S319 PolarHBondContact ND1-OG 3.48Å; H126-V320 VanDerWaalsContact CE1-CG2 3.44Å; H126-V320 WeakPolarHBondContact CE1-CG2 3.42Å; H126-V320 VanDerWaalsContact NE2-CG2 3.33Å; H126-V320 WeakPolarHBondContact NE2-CG2 3.42Å
127	N	85.6	Confident	92	Very high	41 Å²	41	51.1 Å²	51.1	22%	0.219	26%	0.261	C	S	.	.	S	Bend	trans	-103.3	157.3	173.4	-47.3	-75.9	0	0	0	110.5	D129 D130 R288	N127-D129 PolarHBondContact O-N 2.89Å; N127-D130 PolarHBondContact N-OD2 2.73Å; N127-D130 PolarHBondContact ND2-OD1 2.64Å; N127-D130 PolarHBondContact ND2-OD2 3.15Å; N127-D130 WeakPolarHBondContact O-CB 3.2Å; N127-D130 PolarHBondContact O-N 3.06Å; N127-D130 VanDerWaalsContact O-N 3.15Å; N127-R288 WeakPolarHBondContact ND2-CG 3.38Å
128	Q	86.8	Confident	92.1	Very high	206 Å²	206	52.8 Å²	52.8	96%	0.963	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-28	-176.4	-170.8	176.4	10.3	0	0	113.1
129	D	92.2	Very high	92.2	Very high	65 Å²	65	49 Å²	49	35%	0.348	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	8.7	-179.7	63.8	-31.2	0	0	0	113.6	N127 G161 Y162 R288	N127-D129 PolarHBondContact O-N 2.89Å; D129-G161 CarbonylContact O-C 3.49Å; D129-G161 VanDerWaalsContact O-CA 3.23Å; D129-G161 WeakPolarHBondContact O-CA 3.43Å; D129-Y162 HydrophobicContact CB-CD2 4.3Å; D129-Y162 PolarHBondContact O-N 2.58Å; D129-Y162 VanDerWaalsContact OD2-CD2 3.22Å; D129-Y162 WeakPolarHBondContact OD2-CD2 3.44Å; D129-Y162 WeakPolarHBondContact OD2-CE2 3.47Å; D129-R288 IonicContact OD1-NH2 3.37Å; D129-R288 PolarHBondContact OD1-NH2 3.38Å; D129-R288 IonicContact OD2-CZ 2.72Å; D129-R288 IonicContact OD2-NH1 3.49Å; D129-R288 IonicContact OD2-NH2 2.67Å; D129-R288 PolarHBondContact OD2-NH2 3.15Å
130	D	93	Very high	92.3	Very high	17 Å²	17	52 Å²	52	9%	0.091	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-74.6	139.1	171.3	-73.2	-6.1	0	0	0	110.9	Y123 G125 H126 N127 Y162	Y123-D130 HydrophobicContact CE1-CB 4.15Å; Y123-D130 PolarHBondContact OH-OD2 3.15Å; G125-D130 VanDerWaalsContact CA-CB 3.46Å; H126-D130 PolarHBondContact N-OD2 3.25Å; N127-D130 PolarHBondContact N-OD2 2.73Å; N127-D130 PolarHBondContact ND2-OD1 2.64Å; N127-D130 PolarHBondContact ND2-OD2 3.15Å; N127-D130 WeakPolarHBondContact O-CB 3.2Å; N127-D130 PolarHBondContact O-N 3.06Å; N127-D130 VanDerWaalsContact O-N 3.15Å; D130-Y162 WeakPolarHBondContact CA-O 3.28Å
131	L	95.2	Very high	92.5	Very high	7 Å²	7	51.2 Å²	51.2	4%	0.037	26%	0.264	C	S	.	.			trans	-89	115.8	170.4	177.1	63.5	0	0	0	109.2	Y123 F133 M139 H154 I159 Y162 I163	Y123-L131 WeakPolarHBondContact CD1-O 3.22Å; L131-F133 VanDerWaalsContact O-CD1 3.22Å; L131-F133 WeakPolarHBondContact O-CD1 3.27Å; L131-M139 HydrophobicContact CD2-CG 4.3Å; L131-M139 HydrophobicContact CD2-SD 3.87Å; L131-H154 HydrophobicContact CD1-CB 4.3Å; L131-H154 HydrophobicContact CD2-CB 4.21Å; L131-I159 HydrophobicContact CD1-CB 4.14Å; L131-I159 HydrophobicContact CD1-CG2 3.87Å; L131-Y162 PolarHBondContact N-O 3.26Å; L131-I163 HydrophobicContact CB-CG2 3.78Å; L131-I163 HydrophobicContact CD2-CG2 3.87Å; L131-I163 HydrophobicContact CG-CG2 4.15Å
132	S	95.8	Very high	92.5	Very high	65 Å²	65	52.4 Å²	52.4	46%	0.455	27%	0.272	S	S	.	.			trans	-78.9	142.6	169.9	-59.7	0	0	0	0	110.7	Y123 G125	Y123-S132 WeakPolarHBondContact O-CA 3.18Å; G125-S132 PolarHBondContact N-OG 2.81Å
133	F	96.2	Very high	92.2	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.018	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-152.7	158.7	-179.1	53	-95.3	0	0	0	111.7	A119 Y121 S122 Y123 L131 D137 M139 I163 P164 Y167 V168	A119-F133 HydrophobicContact CB-CD2 3.5Å; A119-F133 HydrophobicContact CB-CE2 3.82Å; A119-F133 HydrophobicContact CB-CG 4.5Å; Y121-F133 VanDerWaalsContact O-CE2 3.28Å; Y121-F133 WeakPolarHBondContact O-CE2 3.42Å; S122-F133 CarbonylContact C-O 3.57Å; S122-F133 WeakPolarHBondContact CA-O 3.28Å; Y123-F133 HydrophobicContact CD1-CD1 4.25Å; Y123-F133 AromaticContact CD1-CE1 3.64Å; Y123-F133 HydrophobicContact CD1-CE1 3.64Å; Y123-F133 HydrophobicContact CD1-CZ 4.11Å; Y123-F133 AromaticContact CG-CE1 3.97Å; Y123-F133 HydrophobicContact CG-CE1 3.97Å; Y123-F133 AromaticContact CG-CZ 3.97Å; Y123-F133 HydrophobicContact CG-CZ 3.97Å; Y123-F133 PolarHBondContact N-O 3.5Å; Y123-F133 PolarHBondContact O-N 3.42Å; Y123-F133 VanDerWaalsContact O-O 3.11Å; L131-F133 VanDerWaalsContact O-CD1 3.22Å; L131-F133 WeakPolarHBondContact O-CD1 3.27Å; F133-D137 HydrophobicContact CB-CB 4.31Å; F133-M139 HydrophobicContact CB-CE 4.25Å; F133-M139 HydrophobicContact CB-SD 4.12Å; F133-M139 HydrophobicContact CD1-CE 4.02Å; F133-M139 HydrophobicContact CD1-SD 3.74Å; F133-M139 HydrophobicContact CD2-CE 3.95Å; F133-M139 HydrophobicContact CE1-CE 4.35Å; F133-M139 HydrophobicContact CE1-SD 4.31Å; F133-M139 HydrophobicContact CE2-CE 4.25Å; F133-M139 HydrophobicContact CG-CE 3.82Å; F133-M139 HydrophobicContact CG-SD 3.93Å; F133-M139 HydrophobicContact CZ-CE 4.44Å; F133-I163 HydrophobicContact CD1-CG2 3.87Å; F133-I163 HydrophobicContact CE1-CB 3.78Å; F133-I163 HydrophobicContact CE1-CG2 3.53Å; F133-I163 HydrophobicContact CZ-CB 4.45Å; F133-P164 HydrophobicContact CZ-CG 4.43Å; F133-Y167 HydrophobicContact CE2-CD1 4.4Å; F133-Y167 HydrophobicContact CZ-CD1 4.4Å; F133-V168 HydrophobicContact CZ-CG1 4.46Å
134	Q	95.9	Very high	91	Very high	118 Å²	118	55 Å²	55	55%	0.551	30%	0.298	S	S	*	.			trans	-99.1	155.8	173.8	-61.4	-57.2	-31.5	0	0	111.5	A119 S122 G136 D137	A119-Q134 WeakPolarHBondContact CB-O 3.5Å; S122-Q134 PolarHBondContact OG-OE1 2.92Å; Q134-G136 PolarHBondContact O-N 3.4Å; Q134-D137 WeakPolarHBondContact CA-OD2 3.38Å; Q134-D137 PolarHBondContact N-OD2 3.33Å; Q134-D137 VanDerWaalsContact O-CB 3.28Å; Q134-D137 WeakPolarHBondContact O-CB 3.39Å; Q134-D137 PolarHBondContact O-N 3.29Å; Q134-D137 VanDerWaalsContact O-N 3.12Å
135	K	92.1	Very high	89.6	Confident	101 Å²	101	50.8 Å²	50.8	44%	0.439	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	130.4	171.5	-179.9	-177.3	177.5	-154	0	109.9	L120 S122 D179	L120-K135 WeakPolarHBondContact O-CG 3.34Å; S122-K135 PolarHBondContact OG-N 2.72Å; K135-D179 WeakPolarHBondContact CE-OD2 3.48Å; K135-D179 IonicContact NZ-OD2 2.79Å; K135-D179 PolarHBondContact NZ-OD2 3.02Å
136	G	91.4	Very high	88.7	Confident	24 Å²	24	52.6 Å²	52.6	25%	0.247	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.4	-15.9	179.1	0	0	0	0	0	114.3	A119 Q134	A119-G136 PolarHBondContact O-N 3.11Å; Q134-G136 PolarHBondContact O-N 3.4Å
137	D	95.6	Very high	88	Confident	35 Å²	35	55.4 Å²	55.4	19%	0.187	31%	0.305	C	S	.	.			trans	-58.6	145.9	178.2	-70.6	-4	0	0	0	111.3	R118 A119 F133 Q134 H154	R118-D137 CarbonylContact C-O 3.52Å; R118-D137 WeakPolarHBondContact CA-O 3.39Å; A119-D137 HydrophobicContact CB-CB 4.37Å; A119-D137 PolarHBondContact N-O 3.41Å; F133-D137 HydrophobicContact CB-CB 4.31Å; Q134-D137 WeakPolarHBondContact CA-OD2 3.38Å; Q134-D137 PolarHBondContact N-OD2 3.33Å; Q134-D137 VanDerWaalsContact O-CB 3.28Å; Q134-D137 WeakPolarHBondContact O-CB 3.39Å; Q134-D137 PolarHBondContact O-N 3.29Å; Q134-D137 VanDerWaalsContact O-N 3.12Å; D137-H154 IonicContact OD2-CD2 3.82Å; D137-H154 IonicContact OD2-NE2 2.78Å; D137-H154 PolarHBondContact OD2-NE2 3.31Å; D137-H154 VanDerWaalsContact OD2-NE2 3.12Å
138	I	95.4	Very high	87.8	Confident	34 Å²	34	54.3 Å²	54.3	17%	0.174	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	134.7	178.9	-61.5	-58.9	0	0	0	109.4	Q116 V117 R118 S155 N171	Q116-I138 HydrophobicContact CG-CG2 3.65Å; V117-I138 WeakPolarHBondContact O-CA 3.4Å; R118-I138 HydrophobicContact CB-CD1 3.84Å; R118-I138 HydrophobicContact CG-CD1 3.84Å; I138-S155 WeakPolarHBondContact O-CB 3.44Å; I138-S155 PolarHBondContact O-N 3.28Å; I138-S155 PolarHBondContact O-OG 3.17Å; I138-N171 HydrophobicContact CD1-CB 4.44Å
139	M	96.3	Very high	87.9	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	156.6	179.7	-67.2	166.9	-78.4	0	0	110.5	Q116 V117 A119 L131 F133 A152 R153 I163 V168	Q116-M139 WeakPolarHBondContact CA-O 3.28Å; V117-M139 HydrophobicContact CG2-CB 3.86Å; V117-M139 PolarHBondContact N-O 2.87Å; V117-M139 PolarHBondContact O-N 3.36Å; A119-M139 HydrophobicContact CB-CE 3.92Å; L131-M139 HydrophobicContact CD2-CG 4.3Å; L131-M139 HydrophobicContact CD2-SD 3.87Å; F133-M139 HydrophobicContact CB-CE 4.25Å; F133-M139 HydrophobicContact CB-SD 4.12Å; F133-M139 HydrophobicContact CD1-CE 4.02Å; F133-M139 HydrophobicContact CD1-SD 3.74Å; F133-M139 HydrophobicContact CD2-CE 3.95Å; F133-M139 HydrophobicContact CE1-CE 4.35Å; F133-M139 HydrophobicContact CE1-SD 4.31Å; F133-M139 HydrophobicContact CE2-CE 4.25Å; F133-M139 HydrophobicContact CG-CE 3.82Å; F133-M139 HydrophobicContact CG-SD 3.93Å; F133-M139 HydrophobicContact CZ-CE 4.44Å; M139-A152 HydrophobicContact CB-CB 4.29Å; M139-R153 CarbonylContact C-O 3.59Å; M139-R153 VanDerWaalsContact CA-O 3.27Å; M139-R153 WeakPolarHBondContact CA-O 3.16Å; M139-I163 HydrophobicContact CE-CD1 4.5Å; M139-I163 HydrophobicContact SD-CD1 4.23Å; M139-I163 HydrophobicContact SD-CG2 3.89Å; M139-V168 HydrophobicContact CE-CG1 3.65Å
140	F	95.4	Very high	87.9	Confident	63 Å²	63	42.7 Å²	42.7	28%	0.276	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	116.8	176.8	-73.7	-75.8	0	0	0	109.4	L114 V115 Q116 I142 A152 R153	L114-F140 HydrophobicContact CB-CB 3.88Å; L114-F140 HydrophobicContact CB-CD1 3.61Å; L114-F140 HydrophobicContact CB-CG 4.1Å; L114-F140 HydrophobicContact CD1-CB 4.08Å; L114-F140 HydrophobicContact CD1-CG 4.37Å; L114-F140 HydrophobicContact CG-CB 4.42Å; V115-F140 WeakPolarHBondContact O-CA 3.19Å; Q116-F140 HydrophobicContact CB-CD1 4.15Å; Q116-F140 HydrophobicContact CB-CE1 3.85Å; Q116-F140 HydrophobicContact CG-CD1 4.38Å; Q116-F140 HydrophobicContact CG-CE1 3.9Å; Q116-F140 HydrophobicContact CG-CZ 4.19Å; F140-I142 PolarHBondContact O-N 2.95Å; F140-A152 CarbonylContact O-C 3.55Å; F140-A152 VanDerWaalsContact O-CA 3.24Å; F140-A152 WeakPolarHBondContact O-CA 3.38Å; F140-R153 PolarHBondContact N-O 3.42Å; F140-R153 PolarHBondContact O-N 2.92Å
141	V	93.1	Very high	88	Confident	5 Å²	5	44.3 Å²	44.3	3%	0.03	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	123.2	177.4	-178.8	0	0	0	0	109.1	L114 V115 V117 W150	L114-V141 VanDerWaalsContact CD2-O 3.29Å; L114-V141 WeakPolarHBondContact CD2-O 3.4Å; V115-V141 HydrophobicContact CB-CB 4.42Å; V115-V141 PolarHBondContact O-N 3.5Å; V117-V141 HydrophobicContact CG1-CG2 3.74Å; V117-V141 HydrophobicContact CG2-CG2 3.98Å; V141-W150 HydrophobicContact CG1-CB 4.18Å; V141-W150 HydrophobicContact CG1-CG 4.49Å; V141-W150 HydrophobicContact CG2-CE3 3.77Å; V141-W150 HydrophobicContact CG2-CZ3 4.41Å
142	I	91.1	Very high	88	Confident	53 Å²	53	44 Å²	44	27%	0.272	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-46.9	-177.5	-63.3	167.4	0	0	0	110.9	L114 F140 F151 R153	L114-I142 HydrophobicContact CD2-CB 4.44Å; L114-I142 HydrophobicContact CD2-CG1 3.96Å; F140-I142 PolarHBondContact O-N 2.95Å; I142-F151 HydrophobicContact CB-CD1 4.23Å; I142-F151 HydrophobicContact CD1-CD1 4.31Å; I142-F151 HydrophobicContact CD1-CE1 4.36Å; I142-F151 PolarHBondContact N-O 3.4Å; I142-R153 HydrophobicContact CD1-CB 3.69Å; I142-R153 HydrophobicContact CG1-CB 4.41Å
143	S	86.4	Confident	88	Confident	56 Å²	56	46.5 Å²	46.5	39%	0.392	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	-176.3	-174.8	73	0	0	0	0	112.5	F151	S143-F151 PolarHBondContact N-O 3.16Å; S143-F151 WeakPolarHBondContact O-CB 3.38Å; S143-F151 PolarHBondContact O-N 3.25Å
144	G	67.6	Low	88	Confident	39 Å²	39	46.9 Å²	46.9	40%	0.402	25%	0.25	S	C	.	.			trans	74.1	46.9	169.2	0	0	0	0	0	112.9	S146 W150	G144-S146 PolarHBondContact O-N 3.3Å; G144-W150 WeakPolarHBondContact O-CA 3.43Å
145	M	61.1	Low	88	Confident	60 Å²	60	43.4 Å²	43.4	30%	0.296	24%	0.239	S	C	.	.			trans	-78.1	72.8	-178.4	-52.6	-177.8	85.6	0	0	110.5	I95 I99	I95-M145 HydrophobicContact CB-CE 3.8Å; I95-M145 HydrophobicContact CG2-CE 2.99Å; I99-M145 HydrophobicContact CD1-CE 3.71Å; I99-M145 HydrophobicContact CD1-SD 3.46Å; I99-M145 WeakPolarHBondContact CD1-SD 3.48Å
146	S	71.1	Confident	88.2	Confident	59 Å²	59	44.8 Å²	44.8	41%	0.413	25%	0.251	S	S	.	.			trans	-83.7	169.5	161.8	71.5	0	0	0	0	109.7	G144 A148 W149 W150	G144-S146 PolarHBondContact O-N 3.3Å; S146-A148 PolarHBondContact O-N 2.78Å; S146-W149 PolarHBondContact OG-N 2.9Å; S146-W149 PolarHBondContact OG-O 2.98Å; S146-W150 PolarHBondContact O-NE1 3.49Å
147	D	70.3	Confident	88.4	Confident	112 Å²	112	47.6 Å²	47.6	60%	0.599	26%	0.264	S	S	*	.	S	Bend	trans	-64	-24.9	177.6	-61.8	-37.6	0	0	0	112.6	S165	D147-S165 PolarHBondContact O-OG 2.85Å
148	A	82.5	Confident	88.3	Confident	17 Å²	17	47.9 Å²	47.9	14%	0.14	28%	0.275	C	S	.	.	S	Bend	trans	-112.7	-35.2	-170.5	0	0	0	0	0	115.1	S146 P164 S165 Q286	S146-A148 PolarHBondContact O-N 2.78Å; A148-P164 WeakPolarHBondContact O-CA 3.43Å; A148-S165 WeakPolarHBondContact CA-OG 3.36Å; A148-S165 PolarHBondContact O-N 3.36Å; A148-S165 PolarHBondContact O-OG 2.8Å; A148-Q286 HydrophobicContact CB-CB 4.5Å
149	W	88.6	Confident	88.4	Confident	19 Å²	19	51.2 Å²	51.2	7%	0.072	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	130.3	-170.5	-70.4	94.9	0	0	0	111.5	Y123 S146 I163 V285 Q286 R288	Y123-W149 HydrophobicContact CE1-CZ3 4.46Å; Y123-W149 WeakPolarHBondContact OH-CH2 3.39Å; S146-W149 PolarHBondContact OG-N 2.9Å; S146-W149 PolarHBondContact OG-O 2.98Å; W149-I163 WeakPolarHBondContact CA-O 3.43Å; W149-V285 HydrophobicContact CH2-CG1 3.71Å; W149-V285 HydrophobicContact CZ2-CG1 3.43Å; W149-V285 VanDerWaalsContact CZ2-CG1 3.43Å; W149-Q286 WeakPolarHBondContact CZ2-O 3.31Å; W149-Q286 PolarHBondContact NE1-O 2.96Å; W149-Q286 VanDerWaalsContact NE1-O 3.17Å; W149-R288 HydrophobicContact CD2-CG 4.19Å; W149-R288 HydrophobicContact CH2-CG 4.22Å; W149-R288 HydrophobicContact CZ2-CG 3.84Å
150	W	92.4	Very high	88.3	Confident	8 Å²	8	53.4 Å²	53.4	3%	0.03	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	149.3	176.7	-60.9	-15.7	0	0	0	111.4	N92 I95 V117 V141 G144 S146 Y162 I163 S165 V168	N92-W150 VanDerWaalsContact OD1-CZ2 3.31Å; N92-W150 WeakPolarHBondContact OD1-CZ2 3.34Å; I95-W150 HydrophobicContact CD1-CH2 3.27Å; I95-W150 HydrophobicContact CD1-CZ2 4.08Å; I95-W150 HydrophobicContact CD1-CZ3 3.86Å; V117-W150 HydrophobicContact CG1-CZ3 4.24Å; V141-W150 HydrophobicContact CG1-CB 4.18Å; V141-W150 HydrophobicContact CG1-CG 4.49Å; V141-W150 HydrophobicContact CG2-CE3 3.77Å; V141-W150 HydrophobicContact CG2-CZ3 4.41Å; G144-W150 WeakPolarHBondContact O-CA 3.43Å; S146-W150 PolarHBondContact O-NE1 3.49Å; W150-Y162 CarbonylContact O-C 3.51Å; W150-Y162 VanDerWaalsContact O-CA 3.29Å; W150-Y162 WeakPolarHBondContact O-CA 3.34Å; W150-I163 HydrophobicContact CB-CG1 4.07Å; W150-I163 PolarHBondContact N-O 3.02Å; W150-I163 WeakPolarHBondContact O-CG1 3.45Å; W150-I163 PolarHBondContact O-N 2.89Å; W150-S165 VanDerWaalsContact CE2-CB 3.42Å; W150-V168 HydrophobicContact CE3-CG2 4.03Å; W150-V168 HydrophobicContact CZ3-CG2 3.68Å
151	F	93.6	Very high	88.3	Confident	52 Å²	52	50.5 Å²	50.5	23%	0.228	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	117.8	172	-164	-102.1	0	0	0	109.6	I142 S143 Y162	I142-F151 HydrophobicContact CB-CD1 4.23Å; I142-F151 HydrophobicContact CD1-CD1 4.31Å; I142-F151 HydrophobicContact CD1-CE1 4.36Å; I142-F151 PolarHBondContact N-O 3.4Å; S143-F151 PolarHBondContact N-O 3.16Å; S143-F151 WeakPolarHBondContact O-CB 3.38Å; S143-F151 PolarHBondContact O-N 3.25Å; F151-Y162 HydrophobicContact CB-CD1 4.16Å; F151-Y162 HydrophobicContact CB-CE1 3.98Å; F151-Y162 AromaticContact CD2-CD1 3.94Å; F151-Y162 HydrophobicContact CD2-CD1 3.94Å; F151-Y162 AromaticContact CD2-CD2 3.69Å; F151-Y162 HydrophobicContact CD2-CD2 3.69Å; F151-Y162 AromaticContact CD2-CE1 3.84Å; F151-Y162 HydrophobicContact CD2-CE1 3.84Å; F151-Y162 AromaticContact CD2-CE2 3.59Å; F151-Y162 HydrophobicContact CD2-CE2 3.59Å; F151-Y162 AromaticContact CD2-CG 3.88Å; F151-Y162 HydrophobicContact CD2-CG 3.88Å; F151-Y162 AromaticContact CD2-CZ 3.68Å; F151-Y162 HydrophobicContact CE2-CD2 4.04Å; F151-Y162 AromaticContact CE2-CE2 3.91Å; F151-Y162 HydrophobicContact CE2-CE2 3.91Å; F151-Y162 HydrophobicContact CG-CE1 4.39Å
152	A	95.4	Very high	88.4	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	164.2	-173.1	0	0	0	0	0	112.3	M139 F140 S160 G161 I163	M139-A152 HydrophobicContact CB-CB 4.29Å; F140-A152 CarbonylContact O-C 3.55Å; F140-A152 VanDerWaalsContact O-CA 3.24Å; F140-A152 WeakPolarHBondContact O-CA 3.38Å; A152-S160 CarbonylContact O-C 3.53Å; A152-S160 WeakPolarHBondContact O-CA 3.18Å; A152-G161 PolarHBondContact N-O 3.21Å; A152-G161 PolarHBondContact O-N 2.95Å; A152-G161 VanDerWaalsContact O-O 3.13Å; A152-I163 HydrophobicContact CB-CD1 3.49Å; A152-I163 VanDerWaalsContact CB-CD1 3.49Å; A152-I163 HydrophobicContact CB-CG1 3.82Å; A152-I163 HydrophobicContact CB-CG2 4.23Å
153	R	96.8	Very high	88.5	Confident	117 Å²	117	50.8 Å²	50.8	44%	0.442	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	128.6	173.2	-178	178.9	-55.9	168.7	5.7	110.2	M139 F140 I142 G158 I159 S160	M139-R153 CarbonylContact C-O 3.59Å; M139-R153 VanDerWaalsContact CA-O 3.27Å; M139-R153 WeakPolarHBondContact CA-O 3.16Å; F140-R153 PolarHBondContact N-O 3.42Å; F140-R153 PolarHBondContact O-N 2.92Å; I142-R153 HydrophobicContact CD1-CB 3.69Å; I142-R153 HydrophobicContact CG1-CB 4.41Å; R153-G158 WeakPolarHBondContact CG-O 3.28Å; R153-I159 CarbonylContact C-O 3.55Å; R153-I159 WeakPolarHBondContact CA-O 3.22Å; R153-S160 WeakPolarHBondContact CB-OG 3.22Å; R153-S160 WeakPolarHBondContact CG-OG 3.37Å; R153-S160 PolarHBondContact NE-OG 3.32Å; R153-S160 VanDerWaalsContact NE-OG 3.15Å
154	H	97.2	Very high	88.8	Confident	12 Å²	12	48.2 Å²	48.2	6%	0.056	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	132	173.6	-164.9	-63.8	0	0	0	110.7	L131 D137 D156 T157 G158 I159	L131-H154 HydrophobicContact CD1-CB 4.3Å; L131-H154 HydrophobicContact CD2-CB 4.21Å; D137-H154 IonicContact OD2-CD2 3.82Å; D137-H154 IonicContact OD2-NE2 2.78Å; D137-H154 PolarHBondContact OD2-NE2 3.31Å; D137-H154 VanDerWaalsContact OD2-NE2 3.12Å; H154-D156 IonicContact CE1-OD2 3.12Å; H154-D156 PolarHBondContact ND1-N 3.45Å; H154-D156 PolarHBondContact O-N 3.43Å; H154-T157 VanDerWaalsContact CB-OG1 3.28Å; H154-T157 WeakPolarHBondContact CB-OG1 3.41Å; H154-T157 PolarHBondContact ND1-N 3.06Å; H154-G158 WeakPolarHBondContact O-CA 3.41Å; H154-G158 PolarHBondContact O-N 3.21Å; H154-I159 PolarHBondContact N-O 2.91Å
155	S	95.5	Very high	89.9	Confident	45 Å²	45	46.7 Å²	46.7	32%	0.315	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-47.2	-177.5	59.2	0	0	0	0	111.9	I138	I138-S155 WeakPolarHBondContact O-CB 3.44Å; I138-S155 PolarHBondContact O-N 3.28Å; I138-S155 PolarHBondContact O-OG 3.17Å
156	D	94.8	Very high	91.1	Very high	130 Å²	130	46.1 Å²	46.1	70%	0.695	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-41.2	-168.8	-53.5	-14.7	0	0	0	112.8	H154	H154-D156 IonicContact CE1-OD2 3.12Å; H154-D156 PolarHBondContact ND1-N 3.45Å; H154-D156 PolarHBondContact O-N 3.43Å
157	T	95.6	Very high	92.1	Very high	84 Å²	84	44.1 Å²	44.1	52%	0.515	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-18.2	-178	68	0	0	0	0	113.2	H154 I159	H154-T157 VanDerWaalsContact CB-OG1 3.28Å; H154-T157 WeakPolarHBondContact CB-OG1 3.41Å; H154-T157 PolarHBondContact ND1-N 3.06Å; T157-I159 PolarHBondContact O-N 2.82Å; T157-I159 VanDerWaalsContact O-N 3.13Å; T157-I159 PolarHBondContact OG1-N 3.24Å
158	G	95	Very high	93.1	Very high	41 Å²	41	39.2 Å²	39.2	42%	0.423	21%	0.213	S	C	.	.			trans	70.1	-2.8	-174.5	0	0	0	0	0	114.9	R153 H154	R153-G158 WeakPolarHBondContact CG-O 3.28Å; H154-G158 WeakPolarHBondContact O-CA 3.41Å; H154-G158 PolarHBondContact O-N 3.21Å
159	I	96.3	Very high	93.5	Very high	104 Å²	104	38.7 Å²	38.7	53%	0.533	21%	0.209	S	C	.	.			trans	-67.5	138.5	179.1	-59.1	174.1	0	0	0	108.9	L131 R153 H154 T157	L131-I159 HydrophobicContact CD1-CB 4.14Å; L131-I159 HydrophobicContact CD1-CG2 3.87Å; R153-I159 CarbonylContact C-O 3.55Å; R153-I159 WeakPolarHBondContact CA-O 3.22Å; H154-I159 PolarHBondContact N-O 2.91Å; T157-I159 PolarHBondContact O-N 2.82Å; T157-I159 VanDerWaalsContact O-N 3.13Å; T157-I159 PolarHBondContact OG1-N 3.24Å
160	S	95.7	Very high	93.5	Very high	46 Å²	46	39 Å²	39	32%	0.322	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	146.5	176.7	-51.4	0	0	0	0	110.7	A152 R153	A152-S160 CarbonylContact O-C 3.53Å; A152-S160 WeakPolarHBondContact O-CA 3.18Å; R153-S160 WeakPolarHBondContact CB-OG 3.22Å; R153-S160 WeakPolarHBondContact CG-OG 3.37Å; R153-S160 PolarHBondContact NE-OG 3.32Å; R153-S160 VanDerWaalsContact NE-OG 3.15Å
161	G	95.4	Very high	93.3	Very high	2 Å²	2	40.7 Å²	40.7	2%	0.021	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.8	-179.1	179.2	0	0	0	0	0	111.4	D129 A152	D129-G161 CarbonylContact O-C 3.49Å; D129-G161 VanDerWaalsContact O-CA 3.23Å; D129-G161 WeakPolarHBondContact O-CA 3.43Å; A152-G161 PolarHBondContact N-O 3.21Å; A152-G161 PolarHBondContact O-N 2.95Å; A152-G161 VanDerWaalsContact O-O 3.13Å
162	Y	93.8	Very high	92.8	Very high	64 Å²	64	41.8 Å²	41.8	25%	0.251	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	138.5	179.2	-71.3	-85.4	0	0	0	112.1	D129 D130 L131 W150 F151 R288	D129-Y162 HydrophobicContact CB-CD2 4.3Å; D129-Y162 PolarHBondContact O-N 2.58Å; D129-Y162 VanDerWaalsContact OD2-CD2 3.22Å; D129-Y162 WeakPolarHBondContact OD2-CD2 3.44Å; D129-Y162 WeakPolarHBondContact OD2-CE2 3.47Å; D130-Y162 WeakPolarHBondContact CA-O 3.28Å; L131-Y162 PolarHBondContact N-O 3.26Å; W150-Y162 CarbonylContact O-C 3.51Å; W150-Y162 VanDerWaalsContact O-CA 3.29Å; W150-Y162 WeakPolarHBondContact O-CA 3.34Å; F151-Y162 HydrophobicContact CB-CD1 4.16Å; F151-Y162 HydrophobicContact CB-CE1 3.98Å; F151-Y162 AromaticContact CD2-CD1 3.94Å; F151-Y162 HydrophobicContact CD2-CD1 3.94Å; F151-Y162 AromaticContact CD2-CD2 3.69Å; F151-Y162 HydrophobicContact CD2-CD2 3.69Å; F151-Y162 AromaticContact CD2-CE1 3.84Å; F151-Y162 HydrophobicContact CD2-CE1 3.84Å; F151-Y162 AromaticContact CD2-CE2 3.59Å; F151-Y162 HydrophobicContact CD2-CE2 3.59Å; F151-Y162 AromaticContact CD2-CG 3.88Å; F151-Y162 HydrophobicContact CD2-CG 3.88Å; F151-Y162 AromaticContact CD2-CZ 3.68Å; F151-Y162 HydrophobicContact CE2-CD2 4.04Å; F151-Y162 AromaticContact CE2-CE2 3.91Å; F151-Y162 HydrophobicContact CE2-CE2 3.91Å; F151-Y162 HydrophobicContact CG-CE1 4.39Å; Y162-R288 VanDerWaalsContact CE1-NH1 3.29Å
163	I	94.6	Very high	92	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	144.5	177.7	62	167.9	0	0	0	110.1	V117 L131 F133 M139 W149 W150 A152 S165 V168	V117-I163 HydrophobicContact CG2-CD1 4.22Å; L131-I163 HydrophobicContact CB-CG2 3.78Å; L131-I163 HydrophobicContact CD2-CG2 3.87Å; L131-I163 HydrophobicContact CG-CG2 4.15Å; F133-I163 HydrophobicContact CD1-CG2 3.87Å; F133-I163 HydrophobicContact CE1-CB 3.78Å; F133-I163 HydrophobicContact CE1-CG2 3.53Å; F133-I163 HydrophobicContact CZ-CB 4.45Å; M139-I163 HydrophobicContact CE-CD1 4.5Å; M139-I163 HydrophobicContact SD-CD1 4.23Å; M139-I163 HydrophobicContact SD-CG2 3.89Å; W149-I163 WeakPolarHBondContact CA-O 3.43Å; W150-I163 HydrophobicContact CB-CG1 4.07Å; W150-I163 PolarHBondContact N-O 3.02Å; W150-I163 WeakPolarHBondContact O-CG1 3.45Å; W150-I163 PolarHBondContact O-N 2.89Å; A152-I163 HydrophobicContact CB-CD1 3.49Å; A152-I163 VanDerWaalsContact CB-CD1 3.49Å; A152-I163 HydrophobicContact CB-CG1 3.82Å; A152-I163 HydrophobicContact CB-CG2 4.23Å; I163-S165 PolarHBondContact O-N 2.67Å; I163-V168 HydrophobicContact CD1-CG1 3.99Å; I163-V168 HydrophobicContact CD1-CG2 4.27Å
164	P	92.2	Very high	91.3	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	125.9	170.3	17.8	-18.9	0	0	0	110.6	Y123 F133 A148 N166 Y167 V285	Y123-P164 HydrophobicContact CD1-CG 4.16Å; Y123-P164 HydrophobicContact CD2-CG 3.87Å; Y123-P164 HydrophobicContact CE1-CG 4.29Å; Y123-P164 HydrophobicContact CE2-CG 4.03Å; Y123-P164 HydrophobicContact CG-CG 3.97Å; F133-P164 HydrophobicContact CZ-CG 4.43Å; A148-P164 WeakPolarHBondContact O-CA 3.43Å; P164-N166 VanDerWaalsContact C-N 3.29Å; P164-N166 WeakPolarHBondContact CB-OD1 3.34Å; P164-N166 PolarHBondContact O-N 3.48Å; P164-Y167 HydrophobicContact CB-CD2 3.98Å; P164-Y167 HydrophobicContact CB-CG 4.27Å; P164-Y167 HydrophobicContact CG-CD1 4.3Å; P164-Y167 HydrophobicContact CG-CD2 3.89Å; P164-Y167 HydrophobicContact CG-CG 3.76Å; P164-Y167 PolarHBondContact O-N 2.8Å; P164-Y167 VanDerWaalsContact O-N 3.12Å; P164-V285 HydrophobicContact CB-CG1 4.16Å; P164-V285 HydrophobicContact CB-CG2 4.24Å; P164-V285 HydrophobicContact CG-CG1 4.44Å; P164-V285 HydrophobicContact CG-CG2 4.21Å
165	S	89.9	Confident	90.6	Very high	7 Å²	7	43.2 Å²	43.2	5%	0.049	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-60.5	-38	-177.6	59.2	0	0	0	0	112.1	D147 A148 W150 I163 Y167 V168	D147-S165 PolarHBondContact O-OG 2.85Å; A148-S165 WeakPolarHBondContact CA-OG 3.36Å; A148-S165 PolarHBondContact O-N 3.36Å; A148-S165 PolarHBondContact O-OG 2.8Å; W150-S165 VanDerWaalsContact CE2-CB 3.42Å; I163-S165 PolarHBondContact O-N 2.67Å; S165-Y167 PolarHBondContact O-N 2.85Å; S165-V168 VanDerWaalsContact O-CG2 3.31Å; S165-V168 WeakPolarHBondContact O-CG2 3.24Å; S165-V168 PolarHBondContact O-N 2.74Å
166	N	87.5	Confident	90.1	Very high	48 Å²	48	42.3 Å²	42.3	26%	0.257	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-73.7	-3.1	179.5	66.1	-20.3	0	0	0	114.2	P164 P284	P164-N166 VanDerWaalsContact C-N 3.29Å; P164-N166 WeakPolarHBondContact CB-OD1 3.34Å; P164-N166 PolarHBondContact O-N 3.48Å; N166-P284 PolarHBondContact ND2-O 3.07Å
167	Y	91.9	Very high	89.6	Confident	17 Å²	17	36.4 Å²	36.4	7%	0.067	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-95.8	-6.3	175.8	-86.8	-127.4	0	0	0	113.3	L120 Y121 Y123 F133 P164 S165 P283 V285	L120-Y167 PolarHBondContact N-O 3.04Å; Y121-Y167 HydrophobicContact CD2-CD1 4.26Å; Y121-Y167 HydrophobicContact CD2-CG 4.16Å; Y121-Y167 HydrophobicContact CG-CD1 4.35Å; Y121-Y167 HydrophobicContact CG-CE1 4.49Å; Y123-Y167 HydrophobicContact CD2-CD1 4.33Å; Y123-Y167 HydrophobicContact CD2-CE1 4.17Å; Y123-Y167 HydrophobicContact CG-CD1 4.44Å; F133-Y167 HydrophobicContact CE2-CD1 4.4Å; F133-Y167 HydrophobicContact CZ-CD1 4.4Å; P164-Y167 HydrophobicContact CB-CD2 3.98Å; P164-Y167 HydrophobicContact CB-CG 4.27Å; P164-Y167 HydrophobicContact CG-CD1 4.3Å; P164-Y167 HydrophobicContact CG-CD2 3.89Å; P164-Y167 HydrophobicContact CG-CG 3.76Å; P164-Y167 PolarHBondContact O-N 2.8Å; P164-Y167 VanDerWaalsContact O-N 3.12Å; S165-Y167 PolarHBondContact O-N 2.85Å; Y167-P283 HydrophobicContact CD2-CG 4.02Å; Y167-P283 HydrophobicContact CE2-CG 3.73Å; Y167-P283 VanDerWaalsContact CE2-O 3.24Å; Y167-P283 WeakPolarHBondContact CE2-O 3.25Å; Y167-P283 PolarHBondContact OH-O 2.97Å; Y167-V285 HydrophobicContact CD2-CG2 4.06Å; Y167-V285 HydrophobicContact CE1-CG2 4.43Å; Y167-V285 HydrophobicContact CE2-CG2 3.3Å
168	V	91.2	Very high	89.2	Confident	10 Å²	10	33.1 Å²	33.1	6%	0.061	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	159	-176.5	-60.9	0	0	0	0	111.2	V117 R118 F133 M139 W150 I163 S165	V117-V168 HydrophobicContact CB-CB 4.02Å; V117-V168 HydrophobicContact CB-CG2 4.11Å; V117-V168 HydrophobicContact CG1-CG2 4.39Å; V117-V168 HydrophobicContact CG2-CB 4.09Å; V117-V168 HydrophobicContact CG2-CG1 4.21Å; V117-V168 HydrophobicContact CG2-CG2 4.15Å; R118-V168 CarbonylContact O-C 3.55Å; R118-V168 WeakPolarHBondContact O-CA 3.29Å; R118-V168 WeakPolarHBondContact O-CB 3.24Å; F133-V168 HydrophobicContact CZ-CG1 4.46Å; M139-V168 HydrophobicContact CE-CG1 3.65Å; W150-V168 HydrophobicContact CE3-CG2 4.03Å; W150-V168 HydrophobicContact CZ3-CG2 3.68Å; I163-V168 HydrophobicContact CD1-CG1 3.99Å; I163-V168 HydrophobicContact CD1-CG2 4.27Å; S165-V168 VanDerWaalsContact O-CG2 3.31Å; S165-V168 WeakPolarHBondContact O-CG2 3.24Å; S165-V168 PolarHBondContact O-N 2.74Å
169	C	89.7	Confident	88.8	Confident	6 Å²	6	33.4 Å²	33.4	4%	0.041	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	161.2	167.2	66.5	0	0	0	0	109.9	V117 R118 L120 N171	V117-C169 CarbonylContact C-O 3.53Å; V117-C169 WeakPolarHBondContact CA-O 3.48Å; V117-C169 WeakPolarHBondContact CB-O 3.47Å; R118-C169 PolarHBondContact N-O 2.85Å; R118-C169 PolarHBondContact O-N 3.21Å; L120-C169 HydrophobicContact CD1-CB 4.01Å; L120-C169 HydrophobicContact CD2-CB 4.1Å; L120-C169 HydrophobicContact CG-CB 4.03Å; C169-N171 PolarHBondContact O-N 3.42Å
170	L	89.3	Confident	88.6	Confident	25 Å²	25	28.6 Å²	28.6	13%	0.131	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56	137.1	165.9	-79.2	174.9	0	0	0	110.6	I95 V115 S177	I95-L170 HydrophobicContact CD1-CD1 4.31Å; I95-L170 HydrophobicContact CD1-CD2 3.96Å; I95-L170 HydrophobicContact CD1-CG 3.88Å; I95-L170 HydrophobicContact CG1-CD1 3.78Å; I95-L170 HydrophobicContact CG1-CD2 3.57Å; I95-L170 HydrophobicContact CG1-CG 3.74Å; V115-L170 HydrophobicContact CG1-CD2 3.3Å; L170-S177 WeakPolarHBondContact O-CB 3.29Å
171	N	88	Confident	88.5	Confident	43 Å²	43	27.3 Å²	27.3	23%	0.23	16%	0.157	C	C	.	.			trans	-106.4	63.1	174.1	-166.3	52.1	0	0	0	110.3	Q116 R118 I138 C169	Q116-N171 HydrophobicContact CB-CB 4.48Å; Q116-N171 HydrophobicContact CG-CB 4.07Å; Q116-N171 PolarHBondContact NE2-ND2 3.38Å; Q116-N171 PolarHBondContact O-N 3.43Å; R118-N171 HydrophobicContact CB-CB 4.07Å; I138-N171 HydrophobicContact CD1-CB 4.44Å; C169-N171 PolarHBondContact O-N 3.42Å
172	D	83.4	Confident	88.3	Confident	76 Å²	76	28 Å²	28	41%	0.406	16%	0.159	S	C	.	.	S	Bend	trans	-100.7	1.4	-175.5	55	10.7	0	0	0	113.3	L174	D172-L174 HydrophobicContact CB-CG 4.4Å; D172-L174 PolarHBondContact O-N 2.81Å; D172-L174 VanDerWaalsContact OD1-CB 3.23Å; D172-L174 WeakPolarHBondContact OD1-CB 3.5Å; D172-L174 PolarHBondContact OD1-N 3.3Å; D172-L174 WeakPolarHBondContact OD2-CD1 3.39Å
173	G	78.2	Confident	88	Confident	60 Å²	60	27.4 Å²	27.4	62%	0.619	16%	0.16	S	C	*	.	S	Bend	trans	73.9	4.3	-175.7	0	0	0	0	0	114
174	L	83.1	Confident	87.7	Confident	92 Å²	92	28.7 Å²	28.7	48%	0.482	17%	0.167	S	C	.	.	S	Bend	trans	-72.9	162.4	171.7	-64.1	-177.5	0	0	0	110.4	D172 T176 S177	D172-L174 HydrophobicContact CB-CG 4.4Å; D172-L174 PolarHBondContact O-N 2.81Å; D172-L174 VanDerWaalsContact OD1-CB 3.23Å; D172-L174 WeakPolarHBondContact OD1-CB 3.5Å; D172-L174 PolarHBondContact OD1-N 3.3Å; D172-L174 WeakPolarHBondContact OD2-CD1 3.39Å; L174-T176 WeakPolarHBondContact CB-OG1 3.33Å; L174-T176 PolarHBondContact O-N 2.9Å; L174-S177 WeakPolarHBondContact O-CB 3.15Å; L174-S177 PolarHBondContact O-N 2.78Å; L174-S177 PolarHBondContact O-OG 2.9Å
175	P	81.6	Confident	87.5	Confident	6 Å²	6	28.9 Å²	28.9	4%	0.039	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-51.9	-31.7	176.6	-29.5	38.4	0	0	0	113.4	S177 L178 W181 Y214 I255	P175-S177 PolarHBondContact O-N 2.92Å; P175-L178 VanDerWaalsContact O-CB 3.25Å; P175-L178 WeakPolarHBondContact O-CB 3.45Å; P175-L178 VanDerWaalsContact O-CG 3.31Å; P175-L178 WeakPolarHBondContact O-CG 3.22Å; P175-L178 PolarHBondContact O-N 3.24Å; P175-W181 HydrophobicContact CB-CE3 4.03Å; P175-W181 HydrophobicContact CB-CZ3 4.15Å; P175-W181 VanDerWaalsContact O-CB 3.24Å; P175-W181 WeakPolarHBondContact O-CB 3.41Å; P175-Y214 HydrophobicContact CB-CE1 4.45Å; P175-Y214 HydrophobicContact CG-CE1 4.45Å; P175-Y214 HydrophobicContact CG-CE2 3.99Å; P175-I255 HydrophobicContact CB-CD1 3.8Å; P175-I255 HydrophobicContact CB-CG1 4.43Å; P175-I255 HydrophobicContact CG-CB 4.17Å; P175-I255 HydrophobicContact CG-CD1 3.35Å; P175-I255 HydrophobicContact CG-CG1 3.75Å
176	T	84.3	Confident	87.5	Confident	26 Å²	26	31.1 Å²	31.1	16%	0.16	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-60.1	-21.7	176.8	44.7	0	0	0	0	114.8	L174 W181	L174-T176 WeakPolarHBondContact CB-OG1 3.33Å; L174-T176 PolarHBondContact O-N 2.9Å; T176-W181 HydrophobicContact CG2-CD2 4.23Å; T176-W181 HydrophobicContact CG2-CZ2 3.8Å
177	S	84.9	Confident	87.5	Confident	7 Å²	7	30.3 Å²	30.3	5%	0.049	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-86.7	-5.8	177.6	70.9	0	0	0	0	113.6	L170 L174 P175	L170-S177 WeakPolarHBondContact O-CB 3.29Å; L174-S177 WeakPolarHBondContact O-CB 3.15Å; L174-S177 PolarHBondContact O-N 2.78Å; L174-S177 PolarHBondContact O-OG 2.9Å; P175-S177 PolarHBondContact O-N 2.92Å
178	L	87.1	Confident	87.4	Confident	15 Å²	15	30.4 Å²	30.4	8%	0.079	17%	0.171	C	C	.	.	S	Bend	trans	-78.1	142.6	-178.3	-60.2	-179	0	0	0	111.8	P175 A180 W181 I205 I255 Q256	P175-L178 VanDerWaalsContact O-CB 3.25Å; P175-L178 WeakPolarHBondContact O-CB 3.45Å; P175-L178 VanDerWaalsContact O-CG 3.31Å; P175-L178 WeakPolarHBondContact O-CG 3.22Å; P175-L178 PolarHBondContact O-N 3.24Å; L178-A180 PolarHBondContact O-N 2.84Å; L178-A180 VanDerWaalsContact O-N 3.14Å; L178-W181 HydrophobicContact CB-CB 4.4Å; L178-W181 VanDerWaalsContact O-CB 3.29Å; L178-W181 WeakPolarHBondContact O-CB 3.46Å; L178-W181 PolarHBondContact O-N 3.35Å; L178-I205 HydrophobicContact CD1-CD1 4.15Å; L178-I255 HydrophobicContact CD1-CB 4.13Å; L178-I255 HydrophobicContact CD1-CG2 3.6Å; L178-Q256 HydrophobicContact CD2-CB 4.22Å
179	D	86.8	Confident	87.4	Confident	46 Å²	46	30 Å²	30	25%	0.246	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-34.6	172.2	-93.2	25.3	0	0	0	112.2	K135 W181 P276	K135-D179 WeakPolarHBondContact CE-OD2 3.48Å; K135-D179 IonicContact NZ-OD2 2.79Å; K135-D179 PolarHBondContact NZ-OD2 3.02Å; D179-W181 VanDerWaalsContact C-N 3.28Å; D179-W181 PolarHBondContact O-N 2.81Å; D179-P276 HydrophobicContact CB-CG 4.5Å
180	A	92.7	Very high	87.6	Confident	4 Å²	4	31.8 Å²	31.8	3%	0.033	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-7.9	179.4	0	0	0	0	0	114.1	L178 Y182 Y203 L204 I205 P276	L178-A180 PolarHBondContact O-N 2.84Å; L178-A180 VanDerWaalsContact O-N 3.14Å; A180-Y182 WeakPolarHBondContact O-CD2 3.32Å; A180-Y203 HydrophobicContact CB-CD2 4.11Å; A180-Y203 HydrophobicContact CB-CE2 3.56Å; A180-L204 CarbonylContact O-C 3.53Å; A180-L204 WeakPolarHBondContact O-CA 3.18Å; A180-L204 WeakPolarHBondContact O-CB 3.47Å; A180-I205 HydrophobicContact CB-CG1 4.29Å; A180-I205 PolarHBondContact O-N 2.96Å; A180-P276 HydrophobicContact CB-CB 3.93Å
181	W	92.2	Very high	87.6	Confident	18 Å²	18	32 Å²	32	7%	0.068	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-78.5	130.2	-173.9	177.4	-101.2	0	0	0	113.5	P175 T176 L178 D179 I205 P207 Y214 R279	P175-W181 HydrophobicContact CB-CE3 4.03Å; P175-W181 HydrophobicContact CB-CZ3 4.15Å; P175-W181 VanDerWaalsContact O-CB 3.24Å; P175-W181 WeakPolarHBondContact O-CB 3.41Å; T176-W181 HydrophobicContact CG2-CD2 4.23Å; T176-W181 HydrophobicContact CG2-CZ2 3.8Å; L178-W181 HydrophobicContact CB-CB 4.4Å; L178-W181 VanDerWaalsContact O-CB 3.29Å; L178-W181 WeakPolarHBondContact O-CB 3.46Å; L178-W181 PolarHBondContact O-N 3.35Å; D179-W181 VanDerWaalsContact C-N 3.28Å; D179-W181 PolarHBondContact O-N 2.81Å; W181-I205 CarbonylContact C-O 3.55Å; W181-I205 WeakPolarHBondContact CA-O 3.38Å; W181-I205 HydrophobicContact CE3-CB 4.19Å; W181-I205 HydrophobicContact CE3-CG2 3.79Å; W181-I205 HydrophobicContact CZ3-CG2 3.89Å; W181-P207 VanDerWaalsContact CH2-CD 3.49Å; W181-P207 HydrophobicContact CH2-CG 3.76Å; W181-P207 HydrophobicContact CZ2-CG 3.79Å; W181-Y214 AromaticContact CH2-CD1 3.55Å; W181-Y214 HydrophobicContact CH2-CD1 3.55Å; W181-Y214 AromaticContact CH2-CE1 3.54Å; W181-Y214 HydrophobicContact CH2-CE1 3.54Å; W181-Y214 AromaticContact CZ3-CD1 3.4Å; W181-Y214 HydrophobicContact CZ3-CD1 3.4Å; W181-Y214 VanDerWaalsContact CZ3-CD1 3.4Å; W181-Y214 AromaticContact CZ3-CE1 3.66Å; W181-Y214 HydrophobicContact CZ3-CE1 3.66Å; W181-Y214 HydrophobicContact CZ3-CG 4.38Å; W181-R279 PolarHBondContact O-NH2 2.96Å
182	Y	91.1	Very high	87.8	Confident	16 Å²	16	31.5 Å²	31.5	6%	0.063	17%	0.172	C	C	.	.			trans	-133.5	127.1	171.3	-71.9	-103.2	0	0	0	109.5	A180 I184 K192 L204 I205 R206 P207 C277 P278 R279	A180-Y182 WeakPolarHBondContact O-CD2 3.32Å; Y182-I184 HydrophobicContact CD1-CD1 4.3Å; Y182-I184 HydrophobicContact CG-CD1 4.11Å; Y182-I184 PolarHBondContact O-N 2.87Å; Y182-K192 HydrophobicContact CD1-CD 3.99Å; Y182-K192 HydrophobicContact CE1-CD 3.91Å; Y182-L204 HydrophobicContact CD2-CB 3.76Å; Y182-L204 HydrophobicContact CD2-CD2 4.26Å; Y182-L204 HydrophobicContact CE2-CB 4.16Å; Y182-I205 PolarHBondContact N-O 3.12Å; Y182-R206 VanDerWaalsContact O-CA 3.24Å; Y182-R206 WeakPolarHBondContact O-CA 3.14Å; Y182-R206 WeakPolarHBondContact O-CB 3.45Å; Y182-P207 WeakPolarHBondContact O-CD 3.33Å; Y182-C277 HydrophobicContact CE2-CB 4.01Å; Y182-C277 PolarHBondContact OH-O 2.78Å; Y182-P278 PolarHBondContact OH-O 3.33Å; Y182-R279 HydrophobicContact CE1-CG 4.24Å; Y182-R279 WeakPolarHBondContact OH-CG 3.23Å; Y182-R279 PolarHBondContact OH-N 3.41Å
183	N	87.7	Confident	88.4	Confident	53 Å²	53	27.9 Å²	27.9	28%	0.283	15%	0.153	S	C	.	.			trans	-81.5	72.7	171.9	-174.2	55	0	0	0	110.5	C87 P207	C87-N183 HydrophobicContact CB-CB 4.29Å; C87-N183 WeakPolarHBondContact CB-ND2 3.49Å; C87-N183 PolarHBondContact SG-OD1 3.13Å; N183-P207 WeakPolarHBondContact OD1-CG 3.49Å
184	I	88.6	Confident	89.1	Confident	26 Å²	26	28.2 Å²	28.2	13%	0.133	14%	0.141	C	C	.	.			trans	-138.5	157.4	-172.9	63.1	-179.2	0	0	0	111.7	Y182 E188 A189 K192 L204 R206	Y182-I184 HydrophobicContact CD1-CD1 4.3Å; Y182-I184 HydrophobicContact CG-CD1 4.11Å; Y182-I184 PolarHBondContact O-N 2.87Å; I184-E188 HydrophobicContact CB-CB 3.99Å; I184-E188 HydrophobicContact CB-CG 3.65Å; I184-E188 HydrophobicContact CD1-CB 4.47Å; I184-E188 HydrophobicContact CD1-CG 3.98Å; I184-E188 HydrophobicContact CG1-CG 4.33Å; I184-E188 HydrophobicContact CG2-CB 4.49Å; I184-E188 HydrophobicContact CG2-CG 3.62Å; I184-A189 HydrophobicContact CD1-CB 3.9Å; I184-A189 HydrophobicContact CG1-CB 4.34Å; I184-K192 HydrophobicContact CD1-CD 4.1Å; I184-L204 HydrophobicContact CD1-CD1 4.33Å; I184-L204 HydrophobicContact CD1-CD2 3.99Å; I184-R206 HydrophobicContact CG1-CB 4.27Å; I184-R206 WeakPolarHBondContact O-CD 3.37Å
185	G	88.6	Confident	89.4	Confident	6 Å²	6	26.1 Å²	26.1	6%	0.062	13%	0.129	C	C	.	.			trans	-71	-176.9	171.5	0	0	0	0	0	113.5	A189 R206 E552	G185-A189 WeakPolarHBondContact O-CB 3.32Å; G185-A189 PolarHBondContact O-N 2.97Å; G185-R206 WeakPolarHBondContact O-CD 3.25Å; G185-E552 WeakPolarHBondContact CA-OE1 3.29Å
186	R	88.7	Confident	89.7	Confident	54 Å²	54	32.9 Å²	32.9	20%	0.204	17%	0.171	C	C	.	.	H	α-helix	trans	-68.2	-47.2	179.2	178.7	-173.8	-64	-117	-7.2	110.4	E188 A189 D190 H232 E552 Q561	R186-E188 PolarHBondContact O-N 3.45Å; R186-A189 WeakPolarHBondContact O-CA 3.33Å; R186-A189 VanDerWaalsContact O-CB 3.31Å; R186-A189 WeakPolarHBondContact O-CB 3.46Å; R186-A189 PolarHBondContact O-N 3.31Å; R186-A189 VanDerWaalsContact O-N 3.09Å; R186-D190 PolarHBondContact O-N 3.2Å; R186-H232 WeakPolarHBondContact CG-NE2 3.19Å; R186-H232 PolarHBondContact NH1-CD2 2.93Å; R186-E552 PolarHBondContact N-OE1 2.91Å; R186-Q561 PolarHBondContact NH1-O 2.87Å; R186-Q561 PolarHBondContact NH2-O 2.94Å
187	R	88.2	Confident	90	Very high	30 Å²	30	35 Å²	35	11%	0.113	20%	0.197	C	C	.	.	H	α-helix	trans	-66.4	-42.4	-173	-165.9	-179.3	-70.7	-75.8	-17.5	111.8	A189 D190 R191 D397 F551 E552 W554	R187-A189 VanDerWaalsContact C-N 3.27Å; R187-A189 PolarHBondContact O-N 3.35Å; R187-D190 WeakPolarHBondContact O-CB 3.43Å; R187-D190 PolarHBondContact O-N 2.68Å; R187-D190 VanDerWaalsContact O-N 3.12Å; R187-R191 PolarHBondContact O-N 3.46Å; R187-D397 WeakPolarHBondContact CD-OD1 3.47Å; R187-D397 HydrophobicContact CG-CB 4.14Å; R187-D397 WeakPolarHBondContact CG-OD1 3.34Å; R187-F551 PolarHBondContact NE-O 3.2Å; R187-F551 VanDerWaalsContact NE-O 3.08Å; R187-F551 PolarHBondContact NH2-O 3.36Å; R187-E552 PolarHBondContact N-OE1 2.83Å; R187-E552 VanDerWaalsContact N-OE1 3.13Å; R187-E552 PolarHBondContact NH2-O 2.82Å; R187-W554 PolarHBondContact NH2-O 3.04Å
188	E	89.4	Confident	90.4	Very high	20 Å²	20	35.6 Å²	35.6	9%	0.093	20%	0.2	C	C	.	.	H	α-helix	trans	-63.2	-33.1	173.7	178.2	65.8	179.8	0	0	112.3	I184 R186 R191 K192 R350	I184-E188 HydrophobicContact CB-CB 3.99Å; I184-E188 HydrophobicContact CB-CG 3.65Å; I184-E188 HydrophobicContact CD1-CB 4.47Å; I184-E188 HydrophobicContact CD1-CG 3.98Å; I184-E188 HydrophobicContact CG1-CG 4.33Å; I184-E188 HydrophobicContact CG2-CB 4.49Å; I184-E188 HydrophobicContact CG2-CG 3.62Å; R186-E188 PolarHBondContact O-N 3.45Å; E188-R191 VanDerWaalsContact CD-NH2 3.28Å; E188-R191 IonicContact OE1-CZ 2.76Å; E188-R191 IonicContact OE1-NE 3.48Å; E188-R191 IonicContact OE1-NH2 3.53Å; E188-R191 PolarHBondContact OE1-NH2 2.73Å; E188-R191 IonicContact OE2-CZ 2.67Å; E188-R191 IonicContact OE2-NE 2.68Å; E188-R191 PolarHBondContact OE2-NE 3.23Å; E188-R191 IonicContact OE2-NH2 3.8Å; E188-R191 PolarHBondContact OE2-NH2 3.32Å; E188-K192 WeakPolarHBondContact O-CG 3.18Å; E188-K192 PolarHBondContact O-N 2.68Å; E188-K192 VanDerWaalsContact O-N 3.09Å; E188-K192 WeakPolarHBondContact OE1-CE 3.32Å; E188-K192 IonicContact OE1-NZ 3.29Å; E188-K192 PolarHBondContact OE1-NZ 2.94Å; E188-R350 IonicContact OE1-NH2 3.72Å; E188-R350 PolarHBondContact OE1-NH2 2.83Å; E188-R350 IonicContact OE2-NH2 2.74Å; E188-R350 PolarHBondContact OE2-NH2 2.99Å
189	A	92.6	Very high	90.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-66.9	-41.5	173.3	0	0	0	0	0	111.7	I184 G185 R186 R187 K192 L193 L204	I184-A189 HydrophobicContact CD1-CB 3.9Å; I184-A189 HydrophobicContact CG1-CB 4.34Å; G185-A189 WeakPolarHBondContact O-CB 3.32Å; G185-A189 PolarHBondContact O-N 2.97Å; R186-A189 WeakPolarHBondContact O-CA 3.33Å; R186-A189 VanDerWaalsContact O-CB 3.31Å; R186-A189 WeakPolarHBondContact O-CB 3.46Å; R186-A189 PolarHBondContact O-N 3.31Å; R186-A189 VanDerWaalsContact O-N 3.09Å; R187-A189 VanDerWaalsContact C-N 3.27Å; R187-A189 PolarHBondContact O-N 3.35Å; A189-K192 PolarHBondContact O-N 2.63Å; A189-L193 WeakPolarHBondContact O-CB 3.35Å; A189-L193 WeakPolarHBondContact O-CG 3.41Å; A189-L193 PolarHBondContact O-N 3.14Å; A189-L204 HydrophobicContact CB-CD1 3.87Å; A189-L204 HydrophobicContact CB-CD2 4.07Å; A189-L204 HydrophobicContact CB-CG 4.43Å
190	D	92.4	Very high	91.4	Very high	45 Å²	45	40.3 Å²	40.3	24%	0.241	22%	0.223	C	C	.	.	H	α-helix	trans	-61	-51.2	176.8	-69.1	-4.7	0	0	0	110.7	R186 R187 K192 L193 L194 V230 H232	R186-D190 PolarHBondContact O-N 3.2Å; R187-D190 WeakPolarHBondContact O-CB 3.43Å; R187-D190 PolarHBondContact O-N 2.68Å; R187-D190 VanDerWaalsContact O-N 3.12Å; D190-K192 VanDerWaalsContact C-N 3.34Å; D190-K192 PolarHBondContact O-N 3.42Å; D190-L193 PolarHBondContact O-N 3.06Å; D190-L194 HydrophobicContact CB-CD1 4.38Å; D190-L194 VanDerWaalsContact O-CB 3.25Å; D190-L194 WeakPolarHBondContact O-CB 3.36Å; D190-L194 WeakPolarHBondContact O-CG 3.32Å; D190-L194 PolarHBondContact O-N 3.32Å; D190-V230 HydrophobicContact CB-CG2 4.42Å; D190-V230 VanDerWaalsContact OD1-CB 3.23Å; D190-V230 WeakPolarHBondContact OD1-CB 3.48Å; D190-V230 VanDerWaalsContact OD1-CG1 3.3Å; D190-V230 WeakPolarHBondContact OD1-CG1 3.44Å; D190-H232 IonicContact OD1-CE1 2.74Å; D190-H232 PolarHBondContact OD1-CE1 2.64Å; D190-H232 IonicContact OD1-NE2 3.44Å; D190-H232 PolarHBondContact OD1-NE2 3.19Å; D190-H232 VanDerWaalsContact OD1-NE2 3.07Å; D190-H232 IonicContact OD2-NE2 2.87Å
191	R	90.4	Very high	91.6	Very high	28 Å²	28	40.2 Å²	40.2	11%	0.106	22%	0.222	C	C	.	.	H	α-helix	trans	-51.9	-51.4	176.1	-171.3	-173.7	69.6	79.3	-5.7	111.8	R187 E188 L194 L195 D397 D429	R187-R191 PolarHBondContact O-N 3.46Å; E188-R191 VanDerWaalsContact CD-NH2 3.28Å; E188-R191 IonicContact OE1-CZ 2.76Å; E188-R191 IonicContact OE1-NE 3.48Å; E188-R191 IonicContact OE1-NH2 3.53Å; E188-R191 PolarHBondContact OE1-NH2 2.73Å; E188-R191 IonicContact OE2-CZ 2.67Å; E188-R191 IonicContact OE2-NE 2.68Å; E188-R191 PolarHBondContact OE2-NE 3.23Å; E188-R191 IonicContact OE2-NH2 3.8Å; E188-R191 PolarHBondContact OE2-NH2 3.32Å; R191-L194 PolarHBondContact O-N 3.42Å; R191-L195 WeakPolarHBondContact O-CG 3.21Å; R191-L195 PolarHBondContact O-N 2.84Å; R191-D397 VanDerWaalsContact CD-OD2 3.32Å; R191-D397 WeakPolarHBondContact CD-OD2 3.5Å; R191-D429 IonicContact CZ-OD2 3.68Å; R191-D429 VanDerWaalsContact NH1-CG 3.32Å; R191-D429 PolarHBondContact NH1-O 2.87Å; R191-D429 IonicContact NH1-OD1 3.64Å; R191-D429 IonicContact NH1-OD2 3Å; R191-D429 PolarHBondContact NH1-OD2 3.48Å; R191-D429 IonicContact NH2-OD2 3.66Å; R191-D429 PolarHBondContact NH2-OD2 3.08Å
192	K	92.4	Very high	91.9	Very high	33 Å²	33	39.3 Å²	39.3	14%	0.143	22%	0.219	C	C	.	.	H	α-helix	trans	-64.3	-42	-179	-75.4	-169.2	-176.9	-52.4	0	113	Y182 I184 E188 A189 D190 N198 D429	Y182-K192 HydrophobicContact CD1-CD 3.99Å; Y182-K192 HydrophobicContact CE1-CD 3.91Å; I184-K192 HydrophobicContact CD1-CD 4.1Å; E188-K192 WeakPolarHBondContact O-CG 3.18Å; E188-K192 PolarHBondContact O-N 2.68Å; E188-K192 VanDerWaalsContact O-N 3.09Å; E188-K192 WeakPolarHBondContact OE1-CE 3.32Å; E188-K192 IonicContact OE1-NZ 3.29Å; E188-K192 PolarHBondContact OE1-NZ 2.94Å; A189-K192 PolarHBondContact O-N 2.63Å; D190-K192 VanDerWaalsContact C-N 3.34Å; D190-K192 PolarHBondContact O-N 3.42Å; K192-N198 PolarHBondContact O-ND2 2.81Å; K192-D429 IonicContact NZ-OD2 2.79Å
193	L	94.8	Very high	92.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-74	-33	-178.2	-74.1	172.8	0	0	0	112.3	A189 D190 L195 N198 T202 L204 R219 V230 C277	A189-L193 WeakPolarHBondContact O-CB 3.35Å; A189-L193 WeakPolarHBondContact O-CG 3.41Å; A189-L193 PolarHBondContact O-N 3.14Å; D190-L193 PolarHBondContact O-N 3.06Å; L193-L195 VanDerWaalsContact C-N 3.34Å; L193-N198 PolarHBondContact O-ND2 3.45Å; L193-T202 HydrophobicContact CD2-CG2 3.82Å; L193-L204 HydrophobicContact CD1-CD2 4.12Å; L193-L204 HydrophobicContact CD1-CG 4.09Å; L193-L204 HydrophobicContact CD2-CD2 4.2Å; L193-L204 HydrophobicContact CD2-CG 4.42Å; L193-L204 HydrophobicContact CG-CD2 3.86Å; L193-L204 HydrophobicContact CG-CG 4.28Å; L193-R219 HydrophobicContact CB-CB 4.39Å; L193-R219 WeakPolarHBondContact O-CD 3.44Å; L193-R219 PolarHBondContact O-NH1 2.68Å; L193-V230 HydrophobicContact CB-CG2 3.72Å; L193-V230 HydrophobicContact CD1-CG1 3.57Å; L193-V230 HydrophobicContact CD1-CG2 4.1Å; L193-C277 HydrophobicContact CD2-CB 3.91Å
194	L	92.9	Very high	92.6	Very high	68 Å²	68	37 Å²	37	36%	0.356	21%	0.206	S	C	.	.	H	α-helix	trans	-80	-10.2	-179.2	-67.5	173.9	0	0	0	114.1	D190 R191 V196 R219 W228 V230	D190-L194 HydrophobicContact CB-CD1 4.38Å; D190-L194 VanDerWaalsContact O-CB 3.25Å; D190-L194 WeakPolarHBondContact O-CB 3.36Å; D190-L194 WeakPolarHBondContact O-CG 3.32Å; D190-L194 PolarHBondContact O-N 3.32Å; R191-L194 PolarHBondContact O-N 3.42Å; L194-V196 PolarHBondContact O-N 2.95Å; L194-R219 PolarHBondContact O-NH1 3.49Å; L194-W228 HydrophobicContact CD2-CB 3.8Å; L194-V230 HydrophobicContact CD1-CG2 4.43Å; L194-V230 HydrophobicContact CD2-CG2 4Å; L194-V230 HydrophobicContact CG-CG2 3.87Å
195	L	90.2	Very high	93	Very high	47 Å²	47	35.7 Å²	35.7	25%	0.246	20%	0.2	C	C	.	.	S	Bend	trans	-47.6	135	172.6	-74.1	175.7	0	0	0	112.1	R191 L193 G197 N198 R219 D429 Y430	R191-L195 WeakPolarHBondContact O-CG 3.21Å; R191-L195 PolarHBondContact O-N 2.84Å; L193-L195 VanDerWaalsContact C-N 3.34Å; L195-G197 PolarHBondContact O-N 2.96Å; L195-N198 PolarHBondContact O-N 2.8Å; L195-R219 PolarHBondContact O-NH1 3.22Å; L195-D429 HydrophobicContact CD1-CB 4.4Å; L195-Y430 HydrophobicContact CD2-CD2 4.21Å
196	V	87.7	Confident	93.3	Very high	149 Å²	149	35.6 Å²	35.6	90%	0.903	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	134.3	-180	-179.8	0	0	0	0	109.9	L194	L194-V196 PolarHBondContact O-N 2.95Å
197	G	90.8	Very high	93.4	Very high	69 Å²	69	33.9 Å²	33.9	71%	0.711	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	105.3	-20.8	179.6	0	0	0	0	0	114.7	L195	L195-G197 PolarHBondContact O-N 2.96Å
198	N	94	Very high	93.5	Very high	20 Å²	20	32.9 Å²	32.9	11%	0.107	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-70.7	129.5	173.6	-63.4	-32.3	0	0	0	110.5	K192 L193 L195 T202 R219 P278	K192-N198 PolarHBondContact O-ND2 2.81Å; L193-N198 PolarHBondContact O-ND2 3.45Å; L195-N198 PolarHBondContact O-N 2.8Å; N198-T202 HydrophobicContact CB-CG2 4.11Å; N198-R219 WeakPolarHBondContact O-CD 3.1Å; N198-R219 PolarHBondContact O-NE 3.5Å; N198-R219 VanDerWaalsContact O-NE 3.15Å; N198-R219 PolarHBondContact O-NH1 2.82Å; N198-P278 WeakPolarHBondContact OD1-CD 3.31Å
199	P	95.9	Very high	93	Very high	58 Å²	58	35.2 Å²	35.2	38%	0.377	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-73.4	164.2	178.7	29.7	-36	0	0	0	113	T202 I275	P199-T202 WeakPolarHBondContact CD-OG1 3.47Å; P199-T202 WeakPolarHBondContact CG-OG1 3.31Å; P199-T202 WeakPolarHBondContact O-CB 3.26Å; P199-T202 PolarHBondContact O-N 3.02Å; P199-T202 VanDerWaalsContact O-N 3.15Å; P199-T202 PolarHBondContact O-OG1 2.82Å; P199-I275 HydrophobicContact CG-CD1 3.77Å; P199-I275 HydrophobicContact CG-CG1 3.92Å
200	K	97.2	Very high	92.2	Very high	103 Å²	103	38.8 Å²	38.8	45%	0.448	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	140	169.2	-177.2	172.5	177.4	170.3	0	110.4	T202 W228 C271 S274	K200-T202 VanDerWaalsContact C-N 3.28Å; K200-T202 PolarHBondContact O-N 3.33Å; K200-W228 HydrophobicContact CB-CH2 3.96Å; K200-W228 HydrophobicContact CB-CZ3 3.91Å; K200-W228 HydrophobicContact CG-CZ3 4.47Å; K200-C271 HydrophobicContact CG-CB 4.46Å; K200-S274 WeakPolarHBondContact O-CB 3.39Å; K200-S274 PolarHBondContact O-OG 2.91Å
201	G	97.5	Very high	91.3	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.01	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	1.4	-177	0	0	0	0	0	114.5	Y203 R219 R272 S274	G201-Y203 PolarHBondContact O-N 2.84Å; G201-R219 PolarHBondContact N-O 2.94Å; G201-R272 WeakPolarHBondContact CA-O 3.32Å; G201-S274 PolarHBondContact O-N 2.93Å; G201-S274 PolarHBondContact O-OG 3.02Å
202	T	98.1	Very high	90.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	28%	0.275	C	S	.	.			trans	-58.6	134.4	171.3	-59.1	0	0	0	0	108.9	L193 N198 P199 K200 R219 S274 I275 C277	L193-T202 HydrophobicContact CD2-CG2 3.82Å; N198-T202 HydrophobicContact CB-CG2 4.11Å; P199-T202 WeakPolarHBondContact CD-OG1 3.47Å; P199-T202 WeakPolarHBondContact CG-OG1 3.31Å; P199-T202 WeakPolarHBondContact O-CB 3.26Å; P199-T202 PolarHBondContact O-N 3.02Å; P199-T202 VanDerWaalsContact O-N 3.15Å; P199-T202 PolarHBondContact O-OG1 2.82Å; K200-T202 VanDerWaalsContact C-N 3.28Å; K200-T202 PolarHBondContact O-N 3.33Å; T202-R219 PolarHBondContact O-N 2.98Å; T202-S274 PolarHBondContact N-OG 2.95Å; T202-S274 VanDerWaalsContact N-OG 3.15Å; T202-I275 VanDerWaalsContact CA-O 3.28Å; T202-I275 WeakPolarHBondContact CA-O 3.15Å; T202-I275 HydrophobicContact CG2-CG1 4.42Å; T202-C277 HydrophobicContact CG2-CB 4.17Å
203	Y	98	Very high	90.6	Very high	19 Å²	19	47.9 Å²	47.9	8%	0.075	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	158.3	-170.5	70.9	-81.6	0	0	0	113.6	A180 G201 L216 S217 V259 L273 I275 P276 C277	A180-Y203 HydrophobicContact CB-CD2 4.11Å; A180-Y203 HydrophobicContact CB-CE2 3.56Å; G201-Y203 PolarHBondContact O-N 2.84Å; Y203-L216 HydrophobicContact CD2-CD1 3.83Å; Y203-L216 HydrophobicContact CG-CD1 4.33Å; Y203-S217 CarbonylContact C-O 3.59Å; Y203-S217 WeakPolarHBondContact CA-O 3.44Å; Y203-S217 WeakPolarHBondContact CB-O 3.37Å; Y203-V259 HydrophobicContact CE2-CG1 3.71Å; Y203-V259 HydrophobicContact CE2-CG2 4.17Å; Y203-V259 WeakPolarHBondContact OH-CG1 3.25Å; Y203-L273 HydrophobicContact CD1-CB 3.75Å; Y203-L273 HydrophobicContact CD1-CD1 4.43Å; Y203-L273 HydrophobicContact CD1-CD2 4.3Å; Y203-L273 HydrophobicContact CD1-CG 4.37Å; Y203-L273 HydrophobicContact CD2-CD1 4.22Å; Y203-L273 HydrophobicContact CE1-CB 3.97Å; Y203-L273 HydrophobicContact CE2-CD1 4.41Å; Y203-L273 HydrophobicContact CG-CB 4.29Å; Y203-L273 HydrophobicContact CG-CD1 4.25Å; Y203-L273 HydrophobicContact CG-CD2 4.06Å; Y203-L273 HydrophobicContact CG-CG 4.42Å; Y203-I275 WeakPolarHBondContact CD1-O 3.24Å; Y203-I275 WeakPolarHBondContact CE1-O 3.24Å; Y203-I275 PolarHBondContact N-O 3.32Å; Y203-P276 HydrophobicContact CE1-CB 4.49Å; Y203-P276 CarbonylContact O-C 3.53Å; Y203-P276 WeakPolarHBondContact O-CA 3.35Å; Y203-C277 PolarHBondContact O-N 2.68Å
204	L	97.1	Very high	90.5	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	159.6	167.8	63.5	81.8	0	0	0	110.9	A180 Y182 I184 A189 L193 R206 S217 C277	A180-L204 CarbonylContact O-C 3.53Å; A180-L204 WeakPolarHBondContact O-CA 3.18Å; A180-L204 WeakPolarHBondContact O-CB 3.47Å; Y182-L204 HydrophobicContact CD2-CB 3.76Å; Y182-L204 HydrophobicContact CD2-CD2 4.26Å; Y182-L204 HydrophobicContact CE2-CB 4.16Å; I184-L204 HydrophobicContact CD1-CD1 4.33Å; I184-L204 HydrophobicContact CD1-CD2 3.99Å; A189-L204 HydrophobicContact CB-CD1 3.87Å; A189-L204 HydrophobicContact CB-CD2 4.07Å; A189-L204 HydrophobicContact CB-CG 4.43Å; L193-L204 HydrophobicContact CD1-CD2 4.12Å; L193-L204 HydrophobicContact CD1-CG 4.09Å; L193-L204 HydrophobicContact CD2-CD2 4.2Å; L193-L204 HydrophobicContact CD2-CG 4.42Å; L193-L204 HydrophobicContact CG-CD2 3.86Å; L193-L204 HydrophobicContact CG-CG 4.28Å; L204-R206 HydrophobicContact CD1-CB 4.06Å; L204-R206 HydrophobicContact CD1-CG 4Å; L204-S217 PolarHBondContact N-O 3.29Å; L204-S217 PolarHBondContact O-N 3.49Å; L204-C277 HydrophobicContact CB-CB 4Å; L204-C277 HydrophobicContact CD2-CB 4.13Å
205	I	96	Very high	90.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	136.9	174.5	-54.2	-174.3	0	0	0	107.7	L178 A180 W181 Y182 A215 L216 I235 I255 V259	L178-I205 HydrophobicContact CD1-CD1 4.15Å; A180-I205 HydrophobicContact CB-CG1 4.29Å; A180-I205 PolarHBondContact O-N 2.96Å; W181-I205 CarbonylContact C-O 3.55Å; W181-I205 WeakPolarHBondContact CA-O 3.38Å; W181-I205 HydrophobicContact CE3-CB 4.19Å; W181-I205 HydrophobicContact CE3-CG2 3.79Å; W181-I205 HydrophobicContact CZ3-CG2 3.89Å; Y182-I205 PolarHBondContact N-O 3.12Å; I205-A215 WeakPolarHBondContact CA-O 3.18Å; I205-L216 HydrophobicContact CG1-CD1 4.19Å; I205-I235 HydrophobicContact CD1-CD1 4.5Å; I205-I235 HydrophobicContact CG2-CD1 4.21Å; I205-I255 HydrophobicContact CD1-CG2 3.22Å; I205-V259 HydrophobicContact CD1-CG2 3.64Å
206	R	94.6	Very high	90.8	Very high	3 Å²	3	44.9 Å²	44.9	1%	0.011	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	166.3	-178.5	59.7	174.3	177.6	81.8	-5.1	111.1	Y182 I184 G185 L204 Y214 A215 S217 H232	Y182-R206 VanDerWaalsContact O-CA 3.24Å; Y182-R206 WeakPolarHBondContact O-CA 3.14Å; Y182-R206 WeakPolarHBondContact O-CB 3.45Å; I184-R206 HydrophobicContact CG1-CB 4.27Å; I184-R206 WeakPolarHBondContact O-CD 3.37Å; G185-R206 WeakPolarHBondContact O-CD 3.25Å; L204-R206 HydrophobicContact CD1-CB 4.06Å; L204-R206 HydrophobicContact CD1-CG 4Å; R206-Y214 CarbonylContact O-C 3.47Å; R206-Y214 WeakPolarHBondContact O-CA 3.29Å; R206-A215 HydrophobicContact CG-CB 4.01Å; R206-A215 PolarHBondContact N-O 3.48Å; R206-A215 PolarHBondContact O-N 3.4Å; R206-S217 PolarHBondContact NE-OG 2.89Å; R206-S217 VanDerWaalsContact NE-OG 3.15Å; R206-H232 PolarHBondContact NH2-ND1 2.83Å
207	P	91.5	Very high	91.3	Very high	18 Å²	18	37.8 Å²	37.8	12%	0.117	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.8	141.8	164.1	-21.8	32.9	0	0	0	110.9	W181 Y182 N183	W181-P207 VanDerWaalsContact CH2-CD 3.49Å; W181-P207 HydrophobicContact CH2-CG 3.76Å; W181-P207 HydrophobicContact CZ2-CG 3.79Å; Y182-P207 WeakPolarHBondContact O-CD 3.33Å; N183-P207 WeakPolarHBondContact OD1-CG 3.49Å
208	S	89.1	Confident	91.6	Very high	10 Å²	10	34.5 Å²	34.5	7%	0.07	18%	0.182	C	C	.	.			trans	-76.9	154.3	169.3	-173.9	0	0	0	0	110.1	E210 N213 Y562	S208-E210 WeakPolarHBondContact CB-O 3.39Å; S208-E210 PolarHBondContact O-N 3.36Å; S208-E210 PolarHBondContact OG-N 3.29Å; S208-N213 WeakPolarHBondContact CB-O 3.36Å; S208-N213 PolarHBondContact N-O 2.87Å; S208-Y562 PolarHBondContact OG-OH 3.46Å; S208-Y562 VanDerWaalsContact OG-OH 3.09Å
209	S	79.6	Confident	91.8	Very high	68 Å²	68	34 Å²	34	48%	0.476	18%	0.178	S	C	.	.	S	Bend	trans	-66	-20.9	169.1	52.6	0	0	0	0	112.1	Y562	S209-Y562 PolarHBondContact N-OH 2.96Å; S209-Y562 PolarHBondContact OG-OH 3.08Å
210	E	76.3	Confident	91.8	Very high	75 Å²	75	32.8 Å²	32.8	35%	0.35	17%	0.168	S	C	.	.	S	Bend	trans	-90.2	132.8	169	-73.5	167.3	-158.9	0	0	110.5	S208 R234	S208-E210 WeakPolarHBondContact CB-O 3.39Å; S208-E210 PolarHBondContact O-N 3.36Å; S208-E210 PolarHBondContact OG-N 3.29Å; E210-R234 VanDerWaalsContact CD-NH2 3.32Å; E210-R234 IonicContact OE1-CZ 3.89Å; E210-R234 IonicContact OE1-NE 3.3Å; E210-R234 IonicContact OE1-NH2 3.43Å; E210-R234 PolarHBondContact OE1-NH2 3.17Å; E210-R234 IonicContact OE2-CZ 3.78Å; E210-R234 IonicContact OE2-NE 3.35Å; E210-R234 PolarHBondContact OE2-NE 2.91Å; E210-R234 IonicContact OE2-NH2 2.96Å; E210-R234 PolarHBondContact OE2-NH2 3.17Å
211	T	73.7	Confident	91.6	Very high	107 Å²	107	31.5 Å²	31.5	66%	0.656	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	145.8	178.4	54.4	0	0	0	0	111.9	N213	T211-N213 VanDerWaalsContact C-N 3.25Å; T211-N213 PolarHBondContact O-N 3.18Å
212	Q	79	Confident	91.4	Very high	154 Å²	154	32.4 Å²	32.4	72%	0.72	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.9	11.8	175.3	-53.1	-64.1	-37.4	0	0	116.1	I237	Q212-I237 VanDerWaalsContact O-CD1 3.23Å; Q212-I237 WeakPolarHBondContact O-CD1 3.42Å
213	N	87.5	Confident	91.2	Very high	36 Å²	36	37.2 Å²	37.2	19%	0.193	20%	0.199	C	C	.	.			trans	-123.9	161.7	175	-69.2	-49.5	0	0	0	111.5	S208 T211 R234 R236	S208-N213 WeakPolarHBondContact CB-O 3.36Å; S208-N213 PolarHBondContact N-O 2.87Å; T211-N213 VanDerWaalsContact C-N 3.25Å; T211-N213 PolarHBondContact O-N 3.18Å; N213-R234 HydrophobicContact CB-CG 4.2Å; N213-R236 WeakPolarHBondContact OD1-CA 3.4Å
214	Y	92.9	Very high	90.9	Very high	52 Å²	52	45 Å²	45	20%	0.204	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	168.3	168.7	-54.8	-74.9	0	0	0	110.4	P175 W181 R206 I235 I237 F244 I255	P175-Y214 HydrophobicContact CB-CE1 4.45Å; P175-Y214 HydrophobicContact CG-CE1 4.45Å; P175-Y214 HydrophobicContact CG-CE2 3.99Å; W181-Y214 AromaticContact CH2-CD1 3.55Å; W181-Y214 HydrophobicContact CH2-CD1 3.55Å; W181-Y214 AromaticContact CH2-CE1 3.54Å; W181-Y214 HydrophobicContact CH2-CE1 3.54Å; W181-Y214 AromaticContact CZ3-CD1 3.4Å; W181-Y214 HydrophobicContact CZ3-CD1 3.4Å; W181-Y214 VanDerWaalsContact CZ3-CD1 3.4Å; W181-Y214 AromaticContact CZ3-CE1 3.66Å; W181-Y214 HydrophobicContact CZ3-CE1 3.66Å; W181-Y214 HydrophobicContact CZ3-CG 4.38Å; R206-Y214 CarbonylContact O-C 3.47Å; R206-Y214 WeakPolarHBondContact O-CA 3.29Å; Y214-I235 PolarHBondContact N-O 2.88Å; Y214-I235 PolarHBondContact O-N 2.85Å; Y214-I237 HydrophobicContact CD2-CD1 4.3Å; Y214-I237 HydrophobicContact CD2-CG1 4.49Å; Y214-I237 HydrophobicContact CE2-CD1 3.78Å; Y214-I237 HydrophobicContact CE2-CG1 4.37Å; Y214-F244 HydrophobicContact CD2-CD1 4.47Å; Y214-F244 HydrophobicContact CD2-CE1 4.29Å; Y214-F244 HydrophobicContact CE2-CD1 4.49Å; Y214-F244 AromaticContact CE2-CE1 3.88Å; Y214-F244 HydrophobicContact CE2-CE1 3.88Å; Y214-I255 HydrophobicContact CD2-CD1 3.59Å; Y214-I255 HydrophobicContact CE2-CD1 4.02Å; Y214-I255 HydrophobicContact CG-CD1 4.11Å
215	A	94.7	Very high	90.5	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	131.2	174.3	0	0	0	0	0	110.5	I205 R206 Y233 Y562	I205-A215 WeakPolarHBondContact CA-O 3.18Å; R206-A215 HydrophobicContact CG-CB 4.01Å; R206-A215 PolarHBondContact N-O 3.48Å; R206-A215 PolarHBondContact O-N 3.4Å; A215-Y233 CarbonylContact C-O 3.58Å; A215-Y233 WeakPolarHBondContact CA-O 3.43Å; A215-Y562 HydrophobicContact CB-CE1 3.85Å
216	L	96.2	Very high	90.3	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	119.8	166.2	176.3	64.7	0	0	0	108.2	Y203 I205 V218 H232 Y233 I235 I246 L269 L273	Y203-L216 HydrophobicContact CD2-CD1 3.83Å; Y203-L216 HydrophobicContact CG-CD1 4.33Å; I205-L216 HydrophobicContact CG1-CD1 4.19Å; L216-V218 HydrophobicContact CD1-CG2 4.28Å; L216-V218 HydrophobicContact CD2-CG2 4.16Å; L216-V218 HydrophobicContact CG-CG2 3.8Å; L216-H232 CarbonylContact O-C 3.54Å; L216-H232 WeakPolarHBondContact O-CA 3.27Å; L216-Y233 PolarHBondContact N-O 2.9Å; L216-Y233 PolarHBondContact O-N 2.84Å; L216-I235 HydrophobicContact CB-CD1 4.05Å; L216-I235 HydrophobicContact CB-CG1 4.16Å; L216-I246 HydrophobicContact CB-CD1 4.41Å; L216-I246 HydrophobicContact CD2-CD1 3.66Å; L216-L269 HydrophobicContact CD2-CD1 4.03Å; L216-L273 HydrophobicContact CD1-CD1 4.34Å; L216-L273 HydrophobicContact CD1-CD2 4.43Å; L216-L273 HydrophobicContact CD2-CD1 4.23Å; L216-L273 HydrophobicContact CD2-CD2 4.2Å
217	S	96.9	Very high	90.2	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	129.6	176.6	-51.8	0	0	0	0	108.9	Y203 L204 R206 K231 H232	Y203-S217 CarbonylContact C-O 3.59Å; Y203-S217 WeakPolarHBondContact CA-O 3.44Å; Y203-S217 WeakPolarHBondContact CB-O 3.37Å; L204-S217 PolarHBondContact N-O 3.29Å; L204-S217 PolarHBondContact O-N 3.49Å; R206-S217 PolarHBondContact NE-OG 2.89Å; R206-S217 VanDerWaalsContact NE-OG 3.15Å; S217-K231 WeakPolarHBondContact CA-O 3.37Å; S217-H232 WeakPolarHBondContact CB-ND1 3.43Å; S217-H232 PolarHBondContact OG-ND1 2.98Å
218	V	97.6	Very high	90.3	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	127	-170.9	-170.4	0	0	0	0	110.5	L216 H220 V230 K231 Y233 L273	L216-V218 HydrophobicContact CD1-CG2 4.28Å; L216-V218 HydrophobicContact CD2-CG2 4.16Å; L216-V218 HydrophobicContact CG-CG2 3.8Å; V218-H220 PolarHBondContact O-N 2.77Å; V218-V230 WeakPolarHBondContact O-CA 3.41Å; V218-K231 PolarHBondContact N-O 2.87Å; V218-K231 PolarHBondContact O-N 2.91Å; V218-Y233 HydrophobicContact CG2-CD2 4.15Å; V218-Y233 HydrophobicContact CG2-CE2 4.11Å; V218-L273 HydrophobicContact CG1-CD2 4.05Å; V218-L273 HydrophobicContact CG2-CD2 3.66Å
219	R	97.2	Very high	90.5	Very high	11 Å²	11	64.8 Å²	64.8	4%	0.042	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	124.5	173	-173.6	-169.4	176.7	129.2	-9	110.3	L193 L194 L195 N198 G201 T202 W228	L193-R219 HydrophobicContact CB-CB 4.39Å; L193-R219 WeakPolarHBondContact O-CD 3.44Å; L193-R219 PolarHBondContact O-NH1 2.68Å; L194-R219 PolarHBondContact O-NH1 3.49Å; L195-R219 PolarHBondContact O-NH1 3.22Å; N198-R219 WeakPolarHBondContact O-CD 3.1Å; N198-R219 PolarHBondContact O-NE 3.5Å; N198-R219 VanDerWaalsContact O-NE 3.15Å; N198-R219 PolarHBondContact O-NH1 2.82Å; G201-R219 PolarHBondContact N-O 2.94Å; T202-R219 PolarHBondContact O-N 2.98Å; R219-W228 HydrophobicContact CG-CE3 3.74Å; R219-W228 HydrophobicContact CG-CZ3 4.05Å
220	H	95.9	Very high	91.3	Very high	32 Å²	32	62.4 Å²	62.4	15%	0.148	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	154.1	179.2	-173.1	78.3	0	0	0	111	V218 V229 K231 C270	V218-H220 PolarHBondContact O-N 2.77Å; H220-V229 HydrophobicContact CB-CG2 4.2Å; H220-V229 PolarHBondContact N-O 2.82Å; H220-V229 PolarHBondContact O-N 2.66Å; H220-K231 HydrophobicContact CB-CG 4.45Å; H220-C270 HydrophobicContact CB-CB 4.36Å; H220-C270 PolarHBondContact CE1-O 3.12Å; H220-C270 PolarHBondContact ND1-O 2.82Å
221	Y	94.8	Very high	92.1	Very high	76 Å²	76	60.3 Å²	60.3	30%	0.298	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	112	171.2	-171.8	-101.2	0	0	0	108.5	S223 N226 W228	Y221-S223 PolarHBondContact O-N 3.16Å; Y221-N226 PolarHBondContact OH-O 3.49Å; Y221-N226 PolarHBondContact OH-OD1 2.86Å; Y221-W228 AromaticContact CD2-CD2 3.7Å; Y221-W228 HydrophobicContact CD2-CD2 3.7Å; Y221-W228 AromaticContact CD2-CE2 3.67Å; Y221-W228 HydrophobicContact CD2-CE3 4.19Å; Y221-W228 AromaticContact CD2-CG 3.94Å; Y221-W228 HydrophobicContact CD2-CG 3.94Å; Y221-W228 HydrophobicContact CD2-CZ2 4.17Å; Y221-W228 AromaticContact CD2-NE1 3.83Å
222	D	92.7	Very high	93.1	Very high	20 Å²	20	55.8 Å²	55.8	11%	0.107	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	110.1	177.8	-171.9	-38.4	0	0	0	108.6	E224 K225 N226 M227 V229	D222-E224 VanDerWaalsContact C-N 3.31Å; D222-E224 PolarHBondContact O-N 3.44Å; D222-E224 WeakPolarHBondContact OD1-CB 3.35Å; D222-E224 PolarHBondContact OD1-N 2.98Å; D222-K225 HydrophobicContact CB-CB 4.26Å; D222-K225 PolarHBondContact OD1-N 3.21Å; D222-N226 VanDerWaalsContact O-CA 3.31Å; D222-N226 WeakPolarHBondContact O-CA 3.42Å; D222-N226 PolarHBondContact O-N 3.29Å; D222-M227 PolarHBondContact N-O 2.69Å; D222-M227 PolarHBondContact O-N 3.39Å; D222-V229 HydrophobicContact CB-CG1 4.02Å; D222-V229 HydrophobicContact CB-CG2 3.95Å
223	S	93.4	Very high	93.9	Very high	101 Å²	101	48.6 Å²	48.6	71%	0.706	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-25.1	-178.5	47.7	0	0	0	0	113.3	Y221	Y221-S223 PolarHBondContact O-N 3.16Å
224	E	92.2	Very high	94.1	Very high	183 Å²	183	48 Å²	48	86%	0.855	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-43.7	-179.9	-62.7	-179	179.7	0	0	110.3	D222 N226	D222-E224 VanDerWaalsContact C-N 3.31Å; D222-E224 PolarHBondContact O-N 3.44Å; D222-E224 WeakPolarHBondContact OD1-CB 3.35Å; D222-E224 PolarHBondContact OD1-N 2.98Å; E224-N226 VanDerWaalsContact C-N 3.28Å
225	K	88.7	Confident	94.1	Very high	101 Å²	101	45.5 Å²	45.5	44%	0.439	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-8.5	175.8	-57.7	-178.2	-172.5	178.4	0	113	D222 M227 E559	D222-K225 HydrophobicContact CB-CB 4.26Å; D222-K225 PolarHBondContact OD1-N 3.21Å; K225-M227 HydrophobicContact CB-CG 3.59Å; K225-M227 HydrophobicContact CB-SD 4.17Å; K225-M227 PolarHBondContact O-N 2.93Å; K225-E559 IonicContact NZ-OE1 2.64Å; K225-E559 PolarHBondContact NZ-OE1 3.31Å
226	N	92.1	Very high	94	Very high	119 Å²	119	49.8 Å²	49.8	64%	0.636	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	38.8	-177	-165.6	50.2	0	0	0	113.2	Y221 D222 E224	Y221-N226 PolarHBondContact OH-O 3.49Å; Y221-N226 PolarHBondContact OH-OD1 2.86Å; D222-N226 VanDerWaalsContact O-CA 3.31Å; D222-N226 WeakPolarHBondContact O-CA 3.42Å; D222-N226 PolarHBondContact O-N 3.29Å; E224-N226 VanDerWaalsContact C-N 3.28Å
227	M	92.6	Very high	93.6	Very high	102 Å²	102	52.9 Å²	52.9	50%	0.502	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	159.7	-175.5	57.9	169	35	0	0	113.3	D222 K225 V229	D222-M227 PolarHBondContact N-O 2.69Å; D222-M227 PolarHBondContact O-N 3.39Å; K225-M227 HydrophobicContact CB-CG 3.59Å; K225-M227 HydrophobicContact CB-SD 4.17Å; K225-M227 PolarHBondContact O-N 2.93Å; M227-V229 HydrophobicContact CG-CG1 4.14Å; M227-V229 HydrophobicContact SD-CG1 4.39Å
228	W	93.7	Very high	93.1	Very high	102 Å²	102	55.8 Å²	55.8	39%	0.386	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	133.6	170	-69.6	99.1	0	0	0	110.1	L194 K200 R219 Y221	L194-W228 HydrophobicContact CD2-CB 3.8Å; K200-W228 HydrophobicContact CB-CH2 3.96Å; K200-W228 HydrophobicContact CB-CZ3 3.91Å; K200-W228 HydrophobicContact CG-CZ3 4.47Å; R219-W228 HydrophobicContact CG-CE3 3.74Å; R219-W228 HydrophobicContact CG-CZ3 4.05Å; Y221-W228 AromaticContact CD2-CD2 3.7Å; Y221-W228 HydrophobicContact CD2-CD2 3.7Å; Y221-W228 AromaticContact CD2-CE2 3.67Å; Y221-W228 HydrophobicContact CD2-CE3 4.19Å; Y221-W228 AromaticContact CD2-CG 3.94Å; Y221-W228 HydrophobicContact CD2-CG 3.94Å; Y221-W228 HydrophobicContact CD2-CZ2 4.17Å; Y221-W228 AromaticContact CD2-NE1 3.83Å
229	V	93.6	Very high	92.3	Very high	21 Å²	21	62.4 Å²	62.4	13%	0.127	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	164.7	178.1	-59.1	0	0	0	0	109.7	H220 D222 M227	H220-V229 HydrophobicContact CB-CG2 4.2Å; H220-V229 PolarHBondContact N-O 2.82Å; H220-V229 PolarHBondContact O-N 2.66Å; D222-V229 HydrophobicContact CB-CG1 4.02Å; D222-V229 HydrophobicContact CB-CG2 3.95Å; M227-V229 HydrophobicContact CG-CG1 4.14Å; M227-V229 HydrophobicContact SD-CG1 4.39Å
230	V	94.5	Very high	91.2	Very high	18 Å²	18	69 Å²	69	11%	0.109	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	134.2	169.4	-179.8	0	0	0	0	108.9	D190 L193 L194 V218 H232	D190-V230 HydrophobicContact CB-CG2 4.42Å; D190-V230 VanDerWaalsContact OD1-CB 3.23Å; D190-V230 WeakPolarHBondContact OD1-CB 3.48Å; D190-V230 VanDerWaalsContact OD1-CG1 3.3Å; D190-V230 WeakPolarHBondContact OD1-CG1 3.44Å; L193-V230 HydrophobicContact CB-CG2 3.72Å; L193-V230 HydrophobicContact CD1-CG1 3.57Å; L193-V230 HydrophobicContact CD1-CG2 4.1Å; L194-V230 HydrophobicContact CD1-CG2 4.43Å; L194-V230 HydrophobicContact CD2-CG2 4Å; L194-V230 HydrophobicContact CG-CG2 3.87Å; V218-V230 WeakPolarHBondContact O-CA 3.41Å; V230-H232 VanDerWaalsContact CG1-CE1 3.5Å; V230-H232 WeakPolarHBondContact CG1-CE1 3.47Å
231	K	94.9	Very high	90	Very high	32 Å²	32	75.3 Å²	75.3	14%	0.139	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	135.4	173.6	-63.9	-58.5	-172.5	177.6	0	109.1	S217 V218 H220 Y233 C270 E559 L563	S217-K231 WeakPolarHBondContact CA-O 3.37Å; V218-K231 PolarHBondContact N-O 2.87Å; V218-K231 PolarHBondContact O-N 2.91Å; H220-K231 HydrophobicContact CB-CG 4.45Å; K231-Y233 HydrophobicContact CB-CE2 3.97Å; K231-C270 HydrophobicContact CG-CB 4.24Å; K231-E559 IonicContact NZ-OE2 2.69Å; K231-E559 PolarHBondContact NZ-OE2 3.25Å; K231-L563 HydrophobicContact CB-CD1 4.12Å; K231-L563 HydrophobicContact CD-CD1 4.14Å; K231-L563 HydrophobicContact CG-CD1 4.34Å
232	H	94.2	Very high	89	Confident	12 Å²	12	73.7 Å²	73.7	6%	0.056	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	131.6	-178.4	-50.7	-82.2	0	0	0	111.1	R186 D190 R206 L216 S217 V230 Y562 L563	R186-H232 WeakPolarHBondContact CG-NE2 3.19Å; R186-H232 PolarHBondContact NH1-CD2 2.93Å; D190-H232 IonicContact OD1-CE1 2.74Å; D190-H232 PolarHBondContact OD1-CE1 2.64Å; D190-H232 IonicContact OD1-NE2 3.44Å; D190-H232 PolarHBondContact OD1-NE2 3.19Å; D190-H232 VanDerWaalsContact OD1-NE2 3.07Å; D190-H232 IonicContact OD2-NE2 2.87Å; R206-H232 PolarHBondContact NH2-ND1 2.83Å; L216-H232 CarbonylContact O-C 3.54Å; L216-H232 WeakPolarHBondContact O-CA 3.27Å; S217-H232 WeakPolarHBondContact CB-ND1 3.43Å; S217-H232 PolarHBondContact OG-ND1 2.98Å; V230-H232 VanDerWaalsContact CG1-CE1 3.5Å; V230-H232 WeakPolarHBondContact CG1-CE1 3.47Å; H232-Y562 HydrophobicContact CB-CD1 4.17Å; H232-Y562 HydrophobicContact CB-CE1 4.25Å; H232-L563 PolarHBondContact O-N 2.75Å
233	Y	94.8	Very high	88.8	Confident	2 Å²	2	73 Å²	73	1%	0.008	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	133.4	177.6	-57.6	-86.1	0	0	0	108.8	A215 L216 V218 K231 I246 L269 C270 L563	A215-Y233 CarbonylContact C-O 3.58Å; A215-Y233 WeakPolarHBondContact CA-O 3.43Å; L216-Y233 PolarHBondContact N-O 2.9Å; L216-Y233 PolarHBondContact O-N 2.84Å; V218-Y233 HydrophobicContact CG2-CD2 4.15Å; V218-Y233 HydrophobicContact CG2-CE2 4.11Å; K231-Y233 HydrophobicContact CB-CE2 3.97Å; Y233-I246 HydrophobicContact CD1-CG2 4.31Å; Y233-L269 HydrophobicContact CD1-CD2 3.47Å; Y233-L269 VanDerWaalsContact CD1-CD2 3.47Å; Y233-L269 HydrophobicContact CD2-CD2 3.71Å; Y233-L269 HydrophobicContact CE1-CD2 3.53Å; Y233-L269 HydrophobicContact CE2-CB 4.47Å; Y233-L269 HydrophobicContact CE2-CD2 3.78Å; Y233-L269 HydrophobicContact CG-CD2 3.56Å; Y233-C270 VanDerWaalsContact OH-CB 3.32Å; Y233-C270 WeakPolarHBondContact OH-CB 3.38Å; Y233-C270 PolarHBondContact OH-N 2.86Å; Y233-L563 HydrophobicContact CD1-CB 4.07Å; Y233-L563 HydrophobicContact CE1-CB 3.85Å; Y233-L563 HydrophobicContact CE1-CD1 3.68Å; Y233-L563 HydrophobicContact CE1-CG 4.41Å
234	R	92.6	Very high	88.8	Confident	24 Å²	24	69.8 Å²	69.8	9%	0.091	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	124.3	178.1	-165.8	-177.6	-73.8	100.7	-9.9	108.3	E210 N213 R236 Y562 D564	E210-R234 VanDerWaalsContact CD-NH2 3.32Å; E210-R234 IonicContact OE1-CZ 3.89Å; E210-R234 IonicContact OE1-NE 3.3Å; E210-R234 IonicContact OE1-NH2 3.43Å; E210-R234 PolarHBondContact OE1-NH2 3.17Å; E210-R234 IonicContact OE2-CZ 3.78Å; E210-R234 IonicContact OE2-NE 3.35Å; E210-R234 PolarHBondContact OE2-NE 2.91Å; E210-R234 IonicContact OE2-NH2 2.96Å; E210-R234 PolarHBondContact OE2-NH2 3.17Å; N213-R234 HydrophobicContact CB-CG 4.2Å; R234-R236 HydrophobicContact CG-CG 4.27Å; R234-Y562 HydrophobicContact CB-CD1 3.77Å; R234-Y562 HydrophobicContact CB-CE1 4.27Å; R234-Y562 HydrophobicContact CB-CG 4.09Å; R234-Y562 VanDerWaalsContact CZ-CD2 3.41Å; R234-D564 IonicContact NH1-OD1 2.86Å
235	I	93.5	Very high	88.8	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	111.7	168.9	-53.9	171.3	0	0	0	106.6	I205 Y214 L216 F244 F245 I246 I255 L258	I205-I235 HydrophobicContact CD1-CD1 4.5Å; I205-I235 HydrophobicContact CG2-CD1 4.21Å; Y214-I235 PolarHBondContact N-O 2.88Å; Y214-I235 PolarHBondContact O-N 2.85Å; L216-I235 HydrophobicContact CB-CD1 4.05Å; L216-I235 HydrophobicContact CB-CG1 4.16Å; I235-F244 HydrophobicContact CG2-CB 3.97Å; I235-F244 HydrophobicContact CG2-CD1 4.28Å; I235-F245 CarbonylContact C-O 3.47Å; I235-F245 WeakPolarHBondContact CA-O 3.38Å; I235-I246 HydrophobicContact CG1-CD1 4.37Å; I235-I246 HydrophobicContact CG1-CG1 4.04Å; I235-I255 HydrophobicContact CD1-CD1 4.3Å; I235-I255 HydrophobicContact CG2-CD1 4.25Å; I235-L258 HydrophobicContact CD1-CD2 4.4Å; I235-L258 HydrophobicContact CG2-CD1 3.87Å
236	R	91.5	Very high	89.1	Confident	89 Å²	89	57.7 Å²	57.7	34%	0.336	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	150	178.4	-62.2	-178.4	-169.6	178.3	3.7	110.1	N213 R234 F244 F245 D564	N213-R236 WeakPolarHBondContact OD1-CA 3.4Å; R234-R236 HydrophobicContact CG-CG 4.27Å; R236-F244 WeakPolarHBondContact O-CA 3.4Å; R236-F245 HydrophobicContact CB-CD1 4.13Å; R236-F245 HydrophobicContact CB-CD2 4.4Å; R236-F245 HydrophobicContact CB-CE1 3.57Å; R236-F245 HydrophobicContact CB-CE2 3.89Å; R236-F245 HydrophobicContact CB-CZ 3.46Å; R236-F245 VanDerWaalsContact CB-CZ 3.46Å; R236-F245 HydrophobicContact CG-CE2 4.34Å; R236-F245 HydrophobicContact CG-CZ 4.21Å; R236-F245 PolarHBondContact N-O 3.23Å; R236-F245 PolarHBondContact O-N 3.41Å; R236-D564 IonicContact NH2-OD1 3.89Å; R236-D564 PolarHBondContact NH2-OD1 3.03Å
237	I	88.5	Confident	89	Confident	65 Å²	65	52.6 Å²	52.6	33%	0.333	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	129.1	176.1	-49	-178.2	0	0	0	107.8	Q212 Y214 F244	Q212-I237 VanDerWaalsContact O-CD1 3.23Å; Q212-I237 WeakPolarHBondContact O-CD1 3.42Å; Y214-I237 HydrophobicContact CD2-CD1 4.3Å; Y214-I237 HydrophobicContact CD2-CG1 4.49Å; Y214-I237 HydrophobicContact CE2-CD1 3.78Å; Y214-I237 HydrophobicContact CE2-CG1 4.37Å; I237-F244 HydrophobicContact CD1-CE1 4.17Å; I237-F244 HydrophobicContact CG1-CD1 4.04Å; I237-F244 HydrophobicContact CG1-CE1 3.91Å; I237-F244 HydrophobicContact CG2-CE1 4.33Å
238	L	85.6	Confident	88.8	Confident	62 Å²	62	54.1 Å²	54.1	33%	0.325	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-74.5	142.9	171.2	-84.1	145.5	0	0	0	110.2	G242 G243 F245 T251	L238-G242 VanDerWaalsContact CD1-O 3.3Å; L238-G242 WeakPolarHBondContact CD1-O 3.41Å; L238-G243 PolarHBondContact N-O 2.83Å; L238-F245 HydrophobicContact CD1-CD1 3.85Å; L238-F245 HydrophobicContact CD1-CE1 4.28Å; L238-F245 HydrophobicContact CD2-CE1 4.31Å; L238-F245 HydrophobicContact CG-CD1 3.81Å; L238-F245 HydrophobicContact CG-CE1 3.73Å; L238-T251 HydrophobicContact CD1-CG2 3.68Å
239	D	81.3	Confident	88.6	Confident	138 Å²	138	59.5 Å²	59.5	74%	0.738	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-56	154.9	172.1	-69	-39.5	0	0	0	111.5	N241 G242	D239-N241 PolarHBondContact O-N 3.46Å; D239-G242 PolarHBondContact O-N 2.98Å; D239-G242 VanDerWaalsContact O-N 3.13Å
240	N	74.4	Confident	88.5	Confident	149 Å²	149	60 Å²	60	80%	0.797	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	59.6	37.7	175.1	-54.9	-29.9	0	0	0	115.2	G242	N240-G242 PolarHBondContact O-N 2.88Å
241	N	70.7	Confident	88.4	Confident	166 Å²	166	62.9 Å²	62.9	89%	0.888	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	58.4	29.9	-175	-73.7	13.7	0	0	0	113.1	D239 G243	D239-N241 PolarHBondContact O-N 3.46Å; N241-G243 PolarHBondContact O-N 2.77Å; N241-G243 VanDerWaalsContact O-N 3.09Å
242	G	73.4	Confident	88.4	Confident	42 Å²	42	62.2 Å²	62.2	43%	0.433	32%	0.318	S	S	.	.			trans	-69.8	-2.2	-178.8	0	0	0	0	0	115.1	L238 D239 N240	L238-G242 VanDerWaalsContact CD1-O 3.3Å; L238-G242 WeakPolarHBondContact CD1-O 3.41Å; D239-G242 PolarHBondContact O-N 2.98Å; D239-G242 VanDerWaalsContact O-N 3.13Å; N240-G242 PolarHBondContact O-N 2.88Å
243	G	88.9	Confident	88.3	Confident	4 Å²	4	66.2 Å²	66.2	4%	0.041	35%	0.345	C	S	.	.			trans	104.6	-161.3	177.5	0	0	0	0	0	114	L238 N241 F252	L238-G243 PolarHBondContact N-O 2.83Å; N241-G243 PolarHBondContact O-N 2.77Å; N241-G243 VanDerWaalsContact O-N 3.09Å; G243-F252 CarbonylContact C-O 3.55Å; G243-F252 WeakPolarHBondContact CA-O 3.45Å
244	F	92.9	Very high	88.1	Confident	34 Å²	34	68.7 Å²	68.7	15%	0.149	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	145.7	-171.7	-56.7	-88.5	0	0	0	110.2	Y214 I235 R236 I237 F252 I255 L258	Y214-F244 HydrophobicContact CD2-CD1 4.47Å; Y214-F244 HydrophobicContact CD2-CE1 4.29Å; Y214-F244 HydrophobicContact CE2-CD1 4.49Å; Y214-F244 AromaticContact CE2-CE1 3.88Å; Y214-F244 HydrophobicContact CE2-CE1 3.88Å; I235-F244 HydrophobicContact CG2-CB 3.97Å; I235-F244 HydrophobicContact CG2-CD1 4.28Å; R236-F244 WeakPolarHBondContact O-CA 3.4Å; I237-F244 HydrophobicContact CD1-CE1 4.17Å; I237-F244 HydrophobicContact CG1-CD1 4.04Å; I237-F244 HydrophobicContact CG1-CE1 3.91Å; I237-F244 HydrophobicContact CG2-CE1 4.33Å; F244-F252 PolarHBondContact N-O 3.45Å; F244-F252 PolarHBondContact O-N 2.67Å; F244-I255 HydrophobicContact CB-CG1 4.22Å; F244-I255 HydrophobicContact CD1-CD1 3.87Å; F244-I255 HydrophobicContact CD1-CG1 3.66Å; F244-I255 HydrophobicContact CD2-CG1 3.97Å; F244-I255 HydrophobicContact CE1-CD1 4.1Å; F244-I255 HydrophobicContact CE1-CG1 3.98Å; F244-I255 HydrophobicContact CE2-CG1 4.27Å; F244-I255 HydrophobicContact CG-CD1 4.35Å; F244-I255 HydrophobicContact CG-CG1 3.65Å; F244-I255 HydrophobicContact CZ-CG1 4.26Å; F244-L258 HydrophobicContact CB-CD1 4.15Å
245	F	93.4	Very high	88	Confident	19 Å²	19	67.8 Å²	67.8	8%	0.083	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	154	177.9	68.3	-82.3	0	0	0	112.2	I235 R236 L238 I248 T251	I235-F245 CarbonylContact C-O 3.47Å; I235-F245 WeakPolarHBondContact CA-O 3.38Å; R236-F245 HydrophobicContact CB-CD1 4.13Å; R236-F245 HydrophobicContact CB-CD2 4.4Å; R236-F245 HydrophobicContact CB-CE1 3.57Å; R236-F245 HydrophobicContact CB-CE2 3.89Å; R236-F245 HydrophobicContact CB-CZ 3.46Å; R236-F245 VanDerWaalsContact CB-CZ 3.46Å; R236-F245 HydrophobicContact CG-CE2 4.34Å; R236-F245 HydrophobicContact CG-CZ 4.21Å; R236-F245 PolarHBondContact N-O 3.23Å; R236-F245 PolarHBondContact O-N 3.41Å; L238-F245 HydrophobicContact CD1-CD1 3.85Å; L238-F245 HydrophobicContact CD1-CE1 4.28Å; L238-F245 HydrophobicContact CD2-CE1 4.31Å; L238-F245 HydrophobicContact CG-CD1 3.81Å; L238-F245 HydrophobicContact CG-CE1 3.73Å; F245-I248 HydrophobicContact CD2-CG2 4.02Å; F245-I248 HydrophobicContact CE2-CB 4.47Å; F245-I248 HydrophobicContact CE2-CG2 3.46Å; F245-I248 VanDerWaalsContact CE2-CG2 3.46Å; F245-I248 HydrophobicContact CZ-CG2 4.12Å; F245-T251 HydrophobicContact CB-CG2 4.12Å
246	I	93.6	Very high	87.9	Confident	12 Å²	12	71.6 Å²	71.6	6%	0.062	37%	0.373	C	S	.	.	S	Bend	trans	-99.5	-51	166	-67.2	175.1	0	0	0	109.1	L216 Y233 I235 L258 Y262 L269	L216-I246 HydrophobicContact CB-CD1 4.41Å; L216-I246 HydrophobicContact CD2-CD1 3.66Å; Y233-I246 HydrophobicContact CD1-CG2 4.31Å; I235-I246 HydrophobicContact CG1-CD1 4.37Å; I235-I246 HydrophobicContact CG1-CG1 4.04Å; I246-L258 HydrophobicContact CD1-CD2 4.22Å; I246-L258 HydrophobicContact CG1-CD1 4.39Å; I246-Y262 HydrophobicContact CB-CE2 4.46Å; I246-Y262 HydrophobicContact CD1-CD2 4.25Å; I246-Y262 HydrophobicContact CD1-CE2 3.73Å; I246-Y262 HydrophobicContact CG1-CE2 4.3Å; I246-L269 HydrophobicContact CD1-CD2 4.12Å; I246-L269 HydrophobicContact CG2-CD2 4.48Å
247	S	91.1	Very high	88	Confident	11 Å²	11	70.3 Å²	70.3	8%	0.077	37%	0.373	C	S	.	.	S	Bend	trans	-109.6	140.1	169.6	-170.6	0	0	0	0	110.1	R249 T250 N565	S247-R249 PolarHBondContact O-N 2.75Å; S247-T250 PolarHBondContact O-N 3.27Å; S247-T250 VanDerWaalsContact O-N 3.16Å; S247-T250 VanDerWaalsContact O-O 3.13Å; S247-N565 WeakPolarHBondContact CB-O 3.44Å; S247-N565 PolarHBondContact OG-O 3.13Å
248	I	87	Confident	88.4	Confident	135 Å²	135	67.2 Å²	67.2	69%	0.692	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-14.9	-178.4	58.5	167.7	0	0	0	113.7	F245 T250	F245-I248 HydrophobicContact CD2-CG2 4.02Å; F245-I248 HydrophobicContact CE2-CB 4.47Å; F245-I248 HydrophobicContact CE2-CG2 3.46Å; F245-I248 VanDerWaalsContact CE2-CG2 3.46Å; F245-I248 HydrophobicContact CZ-CG2 4.12Å; I248-T250 VanDerWaalsContact C-N 3.29Å; I248-T250 PolarHBondContact O-N 2.88Å
249	R	89.7	Confident	88.8	Confident	214 Å²	214	64.4 Å²	64.4	81%	0.808	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-24.9	179.5	-61.2	-178.1	-175.2	-176.8	3.3	112.9	S247	S247-R249 PolarHBondContact O-N 2.75Å
250	T	91.6	Very high	89.5	Confident	32 Å²	32	61.4 Å²	61.4	20%	0.196	33%	0.326	C	S	.	.	S	Bend	trans	-140.7	112	-172.5	-43.9	0	0	0	0	109.5	S247 I248 F252 Y261	S247-T250 PolarHBondContact O-N 3.27Å; S247-T250 VanDerWaalsContact O-N 3.16Å; S247-T250 VanDerWaalsContact O-O 3.13Å; I248-T250 VanDerWaalsContact C-N 3.29Å; I248-T250 PolarHBondContact O-N 2.88Å; T250-F252 HydrophobicContact CG2-CE1 4.08Å; T250-F252 HydrophobicContact CG2-CE2 4.04Å; T250-F252 HydrophobicContact CG2-CZ 3.48Å; T250-F252 VanDerWaalsContact CG2-CZ 3.48Å; T250-Y261 HydrophobicContact CG2-CE1 4.37Å; T250-Y261 HydrophobicContact CG2-CE2 4.19Å
251	T	93.8	Very high	90.6	Very high	78 Å²	78	57.3 Å²	57.3	48%	0.479	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	151.1	-176.8	63.2	0	0	0	0	110.7	L238 F245	L238-T251 HydrophobicContact CD1-CG2 3.68Å; F245-T251 HydrophobicContact CB-CG2 4.12Å
252	F	94.1	Very high	91.8	Very high	18 Å²	18	49.5 Å²	49.5	8%	0.079	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	141.4	-175.1	-55.1	-82	0	0	0	110.9	G243 F244 T250 N254 D257 L258 Y261 Y262	G243-F252 CarbonylContact C-O 3.55Å; G243-F252 WeakPolarHBondContact CA-O 3.45Å; F244-F252 PolarHBondContact N-O 3.45Å; F244-F252 PolarHBondContact O-N 2.67Å; T250-F252 HydrophobicContact CG2-CE1 4.08Å; T250-F252 HydrophobicContact CG2-CE2 4.04Å; T250-F252 HydrophobicContact CG2-CZ 3.48Å; T250-F252 VanDerWaalsContact CG2-CZ 3.48Å; F252-N254 VanDerWaalsContact C-N 3.28Å; F252-N254 PolarHBondContact O-N 2.93Å; F252-D257 HydrophobicContact CB-CB 4.33Å; F252-D257 HydrophobicContact CD1-CB 4.35Å; F252-L258 HydrophobicContact CB-CB 3.98Å; F252-L258 HydrophobicContact CD1-CB 4.48Å; F252-L258 HydrophobicContact CD2-CB 3.52Å; F252-L258 HydrophobicContact CD2-CD1 3.82Å; F252-L258 HydrophobicContact CD2-CG 3.64Å; F252-L258 HydrophobicContact CE2-CB 4.11Å; F252-L258 HydrophobicContact CE2-CD1 4.31Å; F252-L258 HydrophobicContact CE2-CG 3.89Å; F252-L258 HydrophobicContact CG-CB 3.73Å; F252-L258 HydrophobicContact CG-CG 4.36Å; F252-Y261 VanDerWaalsContact CE1-CB 3.41Å; F252-Y261 HydrophobicContact CE1-CD1 4.18Å; F252-Y261 AromaticContact CE1-CD2 3.85Å; F252-Y261 HydrophobicContact CE1-CD2 3.85Å; F252-Y261 AromaticContact CE1-CG 3.56Å; F252-Y261 HydrophobicContact CE1-CG 3.56Å; F252-Y261 AromaticContact CZ-CD1 3.58Å; F252-Y261 HydrophobicContact CZ-CD1 3.58Å; F252-Y261 HydrophobicContact CZ-CD2 4Å; F252-Y261 HydrophobicContact CZ-CE1 4.24Å; F252-Y261 AromaticContact CZ-CG 3.45Å; F252-Y261 HydrophobicContact CZ-CG 3.45Å; F252-Y261 VanDerWaalsContact CZ-CG 3.45Å; F252-Y262 HydrophobicContact CE2-CE2 4.16Å
253	P	91.2	Very high	93	Very high	96 Å²	96	49.9 Å²	49.9	62%	0.623	25%	0.252	S	S	*	.	S	Bend	trans	-67.5	-29.3	-179.4	27.7	-34.7	0	0	0	112.8	D257	P253-D257 WeakPolarHBondContact CG-OD2 3.49Å
254	N	90.4	Very high	93.3	Very high	54 Å²	54	53.3 Å²	53.3	29%	0.289	27%	0.272	S	S	.	.	S	Bend	trans	-144	165.5	177.1	64	68.9	0	0	0	111.1	F252 Q256 D257 L258	F252-N254 VanDerWaalsContact C-N 3.28Å; F252-N254 PolarHBondContact O-N 2.93Å; N254-Q256 VanDerWaalsContact C-N 3.31Å; N254-Q256 PolarHBondContact O-N 2.95Å; N254-Q256 WeakPolarHBondContact OD1-CA 3.4Å; N254-Q256 VanDerWaalsContact OD1-CB 3.32Å; N254-Q256 WeakPolarHBondContact OD1-CB 3.14Å; N254-Q256 PolarHBondContact OD1-N 3.24Å; N254-D257 PolarHBondContact ND2-OD2 3.44Å; N254-D257 PolarHBondContact O-N 2.74Å; N254-D257 PolarHBondContact OD1-N 2.89Å; N254-D257 PolarHBondContact OD1-OD2 2.67Å; N254-L258 PolarHBondContact O-N 3.04Å
255	I	91.9	Very high	93.4	Very high	5 Å²	5	56 Å²	56	3%	0.026	29%	0.285	C	S	.	.	H	α-helix	trans	-69.1	-28.2	-178.3	-66	-157.8	0	0	0	112.6	P175 L178 I205 Y214 I235 F244 D257 L258 V259	P175-I255 HydrophobicContact CB-CD1 3.8Å; P175-I255 HydrophobicContact CB-CG1 4.43Å; P175-I255 HydrophobicContact CG-CB 4.17Å; P175-I255 HydrophobicContact CG-CD1 3.35Å; P175-I255 HydrophobicContact CG-CG1 3.75Å; L178-I255 HydrophobicContact CD1-CB 4.13Å; L178-I255 HydrophobicContact CD1-CG2 3.6Å; I205-I255 HydrophobicContact CD1-CG2 3.22Å; Y214-I255 HydrophobicContact CD2-CD1 3.59Å; Y214-I255 HydrophobicContact CE2-CD1 4.02Å; Y214-I255 HydrophobicContact CG-CD1 4.11Å; I235-I255 HydrophobicContact CD1-CD1 4.3Å; I235-I255 HydrophobicContact CG2-CD1 4.25Å; F244-I255 HydrophobicContact CB-CG1 4.22Å; F244-I255 HydrophobicContact CD1-CD1 3.87Å; F244-I255 HydrophobicContact CD1-CG1 3.66Å; F244-I255 HydrophobicContact CD2-CG1 3.97Å; F244-I255 HydrophobicContact CE1-CD1 4.1Å; F244-I255 HydrophobicContact CE1-CG1 3.98Å; F244-I255 HydrophobicContact CE2-CG1 4.27Å; F244-I255 HydrophobicContact CG-CD1 4.35Å; F244-I255 HydrophobicContact CG-CG1 3.65Å; F244-I255 HydrophobicContact CZ-CG1 4.26Å; I255-D257 VanDerWaalsContact C-N 3.33Å; I255-D257 PolarHBondContact O-N 3.21Å; I255-L258 WeakPolarHBondContact O-CB 3.41Å; I255-L258 PolarHBondContact O-N 3.43Å; I255-V259 HydrophobicContact CG2-CG2 4.32Å; I255-V259 WeakPolarHBondContact O-CG2 3.34Å; I255-V259 PolarHBondContact O-N 3.08Å
256	Q	91.8	Very high	93.4	Very high	80 Å²	80	57.3 Å²	57.3	37%	0.374	30%	0.296	S	S	.	.	H	α-helix	trans	-63.8	-41.5	176.8	-175.8	61.3	66.2	0	0	111.1	L178 N254 V259 N260	L178-Q256 HydrophobicContact CD2-CB 4.22Å; N254-Q256 VanDerWaalsContact C-N 3.31Å; N254-Q256 PolarHBondContact O-N 2.95Å; N254-Q256 WeakPolarHBondContact OD1-CA 3.4Å; N254-Q256 VanDerWaalsContact OD1-CB 3.32Å; N254-Q256 WeakPolarHBondContact OD1-CB 3.14Å; N254-Q256 PolarHBondContact OD1-N 3.24Å; Q256-V259 PolarHBondContact O-N 3.25Å; Q256-N260 PolarHBondContact NE2-OD1 2.81Å; Q256-N260 WeakPolarHBondContact O-CB 3.49Å; Q256-N260 PolarHBondContact O-N 3.3Å; Q256-N260 PolarHBondContact O-ND2 2.96Å; Q256-N260 PolarHBondContact O-OD1 2.86Å
257	D	93.7	Very high	93.3	Very high	63 Å²	63	60.3 Å²	60.3	34%	0.337	31%	0.312	S	S	.	.	H	α-helix	trans	-67.3	-38.3	176.5	-68.4	-26.9	0	0	0	112	F252 P253 N254 I255 V259 N260 Y261	F252-D257 HydrophobicContact CB-CB 4.33Å; F252-D257 HydrophobicContact CD1-CB 4.35Å; P253-D257 WeakPolarHBondContact CG-OD2 3.49Å; N254-D257 PolarHBondContact ND2-OD2 3.44Å; N254-D257 PolarHBondContact O-N 2.74Å; N254-D257 PolarHBondContact OD1-N 2.89Å; N254-D257 PolarHBondContact OD1-OD2 2.67Å; I255-D257 VanDerWaalsContact C-N 3.33Å; I255-D257 PolarHBondContact O-N 3.21Å; D257-V259 PolarHBondContact O-N 3Å; D257-N260 PolarHBondContact O-N 2.95Å; D257-Y261 WeakPolarHBondContact O-CB 3.31Å; D257-Y261 PolarHBondContact O-N 3.14Å
258	L	95	Very high	93.3	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-57.4	-48.9	171.4	-177.3	155.3	0	0	0	110.9	I235 F244 I246 F252 N254 I255 Y261 Y262	I235-L258 HydrophobicContact CD1-CD2 4.4Å; I235-L258 HydrophobicContact CG2-CD1 3.87Å; F244-L258 HydrophobicContact CB-CD1 4.15Å; I246-L258 HydrophobicContact CD1-CD2 4.22Å; I246-L258 HydrophobicContact CG1-CD1 4.39Å; F252-L258 HydrophobicContact CB-CB 3.98Å; F252-L258 HydrophobicContact CD1-CB 4.48Å; F252-L258 HydrophobicContact CD2-CB 3.52Å; F252-L258 HydrophobicContact CD2-CD1 3.82Å; F252-L258 HydrophobicContact CD2-CG 3.64Å; F252-L258 HydrophobicContact CE2-CB 4.11Å; F252-L258 HydrophobicContact CE2-CD1 4.31Å; F252-L258 HydrophobicContact CE2-CG 3.89Å; F252-L258 HydrophobicContact CG-CB 3.73Å; F252-L258 HydrophobicContact CG-CG 4.36Å; N254-L258 PolarHBondContact O-N 3.04Å; I255-L258 WeakPolarHBondContact O-CB 3.41Å; I255-L258 PolarHBondContact O-N 3.43Å; L258-Y261 PolarHBondContact O-N 3.25Å; L258-Y262 HydrophobicContact CD2-CD2 3.73Å; L258-Y262 HydrophobicContact CD2-CE2 3.98Å; L258-Y262 HydrophobicContact CG-CD2 4.03Å; L258-Y262 HydrophobicContact CG-CE2 3.96Å; L258-Y262 WeakPolarHBondContact O-CD2 3.33Å; L258-Y262 PolarHBondContact O-N 3.19Å; L258-Y262 VanDerWaalsContact O-N 3.16Å
259	V	95	Very high	93.6	Very high	3 Å²	3	56.3 Å²	56.3	2%	0.018	30%	0.302	C	S	.	.	H	α-helix	trans	-61.3	-49.6	177.8	168.7	0	0	0	0	110.6	Y203 I205 I255 Q256 D257 Y261 Y262 T263 L273	Y203-V259 HydrophobicContact CE2-CG1 3.71Å; Y203-V259 HydrophobicContact CE2-CG2 4.17Å; Y203-V259 WeakPolarHBondContact OH-CG1 3.25Å; I205-V259 HydrophobicContact CD1-CG2 3.64Å; I255-V259 HydrophobicContact CG2-CG2 4.32Å; I255-V259 WeakPolarHBondContact O-CG2 3.34Å; I255-V259 PolarHBondContact O-N 3.08Å; Q256-V259 PolarHBondContact O-N 3.25Å; D257-V259 PolarHBondContact O-N 3Å; V259-Y261 VanDerWaalsContact C-N 3.27Å; V259-Y261 PolarHBondContact O-N 2.6Å; V259-Y262 PolarHBondContact O-N 2.9Å; V259-Y262 VanDerWaalsContact O-N 3.11Å; V259-T263 HydrophobicContact CG1-CG2 4.45Å; V259-T263 WeakPolarHBondContact O-CG2 3.24Å; V259-T263 PolarHBondContact O-N 3.04Å; V259-L273 HydrophobicContact CG1-CD1 4.36Å
260	N	95.5	Very high	93.8	Very high	75 Å²	75	47.8 Å²	47.8	40%	0.401	28%	0.276	S	S	.	.	H	α-helix	trans	-55.8	-43.5	-179.5	-69	-16	0	0	0	111.2	Q256 D257 T263	Q256-N260 PolarHBondContact NE2-OD1 2.81Å; Q256-N260 WeakPolarHBondContact O-CB 3.49Å; Q256-N260 PolarHBondContact O-N 3.3Å; Q256-N260 PolarHBondContact O-ND2 2.96Å; Q256-N260 PolarHBondContact O-OD1 2.86Å; D257-N260 PolarHBondContact O-N 2.95Å; N260-T263 PolarHBondContact O-N 3.16Å; N260-T263 PolarHBondContact O-OG1 3.17Å
261	Y	97.1	Very high	94	Very high	63 Å²	63	47 Å²	47	25%	0.247	27%	0.271	C	S	.	.	H	α-helix	trans	-58.6	-51.6	175.3	179.4	-89.7	0	0	0	112.2	T250 F252 D257 L258 V259 T263 V264 H265 D267	T250-Y261 HydrophobicContact CG2-CE1 4.37Å; T250-Y261 HydrophobicContact CG2-CE2 4.19Å; F252-Y261 VanDerWaalsContact CE1-CB 3.41Å; F252-Y261 HydrophobicContact CE1-CD1 4.18Å; F252-Y261 AromaticContact CE1-CD2 3.85Å; F252-Y261 HydrophobicContact CE1-CD2 3.85Å; F252-Y261 AromaticContact CE1-CG 3.56Å; F252-Y261 HydrophobicContact CE1-CG 3.56Å; F252-Y261 AromaticContact CZ-CD1 3.58Å; F252-Y261 HydrophobicContact CZ-CD1 3.58Å; F252-Y261 HydrophobicContact CZ-CD2 4Å; F252-Y261 HydrophobicContact CZ-CE1 4.24Å; F252-Y261 AromaticContact CZ-CG 3.45Å; F252-Y261 HydrophobicContact CZ-CG 3.45Å; F252-Y261 VanDerWaalsContact CZ-CG 3.45Å; D257-Y261 WeakPolarHBondContact O-CB 3.31Å; D257-Y261 PolarHBondContact O-N 3.14Å; L258-Y261 PolarHBondContact O-N 3.25Å; V259-Y261 VanDerWaalsContact C-N 3.27Å; V259-Y261 PolarHBondContact O-N 2.6Å; Y261-T263 PolarHBondContact O-N 3.18Å; Y261-V264 PolarHBondContact O-N 2.64Å; Y261-H265 HydrophobicContact CD1-CB 4.34Å; Y261-H265 AromaticContact CD2-CD2 3.95Å; Y261-H265 HydrophobicContact CE1-CB 3.86Å; Y261-H265 HydrophobicContact CE2-CB 4.42Å; Y261-H265 AromaticContact CE2-CD2 3.51Å; Y261-H265 AromaticContact CZ-CD2 3.78Å; Y261-H265 PolarHBondContact O-N 2.95Å; Y261-D267 HydrophobicContact CE1-CB 3.94Å; Y261-D267 PolarHBondContact OH-OD2 3.48Å
262	Y	97.4	Very high	94.2	Very high	1 Å²	1	50.6 Å²	50.6	0%	0.004	28%	0.276	C	S	.	.	H	α-helix	trans	-72.6	-12	-176.2	-74.6	-65.1	0	0	0	114.6	I246 F252 L258 V259 V264 H265 D267 L269 L273	I246-Y262 HydrophobicContact CB-CE2 4.46Å; I246-Y262 HydrophobicContact CD1-CD2 4.25Å; I246-Y262 HydrophobicContact CD1-CE2 3.73Å; I246-Y262 HydrophobicContact CG1-CE2 4.3Å; F252-Y262 HydrophobicContact CE2-CE2 4.16Å; L258-Y262 HydrophobicContact CD2-CD2 3.73Å; L258-Y262 HydrophobicContact CD2-CE2 3.98Å; L258-Y262 HydrophobicContact CG-CD2 4.03Å; L258-Y262 HydrophobicContact CG-CE2 3.96Å; L258-Y262 WeakPolarHBondContact O-CD2 3.33Å; L258-Y262 PolarHBondContact O-N 3.19Å; L258-Y262 VanDerWaalsContact O-N 3.16Å; V259-Y262 PolarHBondContact O-N 2.9Å; V259-Y262 VanDerWaalsContact O-N 3.11Å; Y262-V264 VanDerWaalsContact C-N 3.3Å; Y262-H265 WeakPolarHBondContact CA-O 3.16Å; Y262-H265 VanDerWaalsContact CD1-O 3.26Å; Y262-H265 WeakPolarHBondContact CD1-O 3.2Å; Y262-D267 HydrophobicContact CE1-CB 4.12Å; Y262-L269 HydrophobicContact CD1-CD1 3.31Å; Y262-L269 HydrophobicContact CD1-CG 3.6Å; Y262-L269 HydrophobicContact CD2-CD1 4.22Å; Y262-L269 HydrophobicContact CE1-CD1 3.91Å; Y262-L269 HydrophobicContact CE1-CD2 4.31Å; Y262-L269 HydrophobicContact CE1-CG 3.73Å; Y262-L269 HydrophobicContact CG-CD1 3.51Å; Y262-L269 HydrophobicContact CG-CG 4.27Å; Y262-L273 PolarHBondContact O-N 3.19Å
263	T	97	Very high	94.4	Very high	50 Å²	50	50 Å²	50	31%	0.307	27%	0.274	S	S	.	.	H	α-helix	trans	-69	-29.3	167.2	65.5	0	0	0	0	112.6	V259 N260 Y261 L273	V259-T263 HydrophobicContact CG1-CG2 4.45Å; V259-T263 WeakPolarHBondContact O-CG2 3.24Å; V259-T263 PolarHBondContact O-N 3.04Å; N260-T263 PolarHBondContact O-N 3.16Å; N260-T263 PolarHBondContact O-OG1 3.17Å; Y261-T263 PolarHBondContact O-N 3.18Å; T263-L273 WeakPolarHBondContact CA-O 3.41Å; T263-L273 HydrophobicContact CG2-CB 3.92Å
264	V	96.9	Very high	94.6	Very high	77 Å²	77	47.9 Å²	47.9	47%	0.467	26%	0.261	S	S	.	.	H	α-helix	trans	-100.3	-38.2	-178.4	-165.6	0	0	0	0	111.2	Y261 Y262 R272	Y261-V264 PolarHBondContact O-N 2.64Å; Y262-V264 VanDerWaalsContact C-N 3.3Å; V264-R272 WeakPolarHBondContact O-CD 3.17Å; V264-R272 PolarHBondContact O-NE 2.77Å; V264-R272 VanDerWaalsContact O-NE 3.1Å
265	H	94.8	Very high	94.9	Very high	89 Å²	89	48.9 Å²	48.9	41%	0.412	27%	0.266	S	S	.	.			trans	-122.7	111.2	-169.9	-56.5	-18.4	0	0	0	109.7	Y261 Y262 D267	Y261-H265 HydrophobicContact CD1-CB 4.34Å; Y261-H265 AromaticContact CD2-CD2 3.95Å; Y261-H265 HydrophobicContact CE1-CB 3.86Å; Y261-H265 HydrophobicContact CE2-CB 4.42Å; Y261-H265 AromaticContact CE2-CD2 3.51Å; Y261-H265 AromaticContact CZ-CD2 3.78Å; Y261-H265 PolarHBondContact O-N 2.95Å; Y262-H265 WeakPolarHBondContact CA-O 3.16Å; Y262-H265 VanDerWaalsContact CD1-O 3.26Å; Y262-H265 WeakPolarHBondContact CD1-O 3.2Å; H265-D267 VanDerWaalsContact C-N 3.3Å; H265-D267 PolarHBondContact O-N 2.66Å
266	P	92.2	Very high	95.1	Very high	48 Å²	48	50.6 Å²	50.6	31%	0.312	28%	0.277	S	S	.	.			trans	-65.6	-35.6	179.8	25.4	-30.5	0	0	0	111.7	G268 L269 R272	P266-G268 VanDerWaalsContact C-N 3.34Å; P266-G268 PolarHBondContact O-N 3.35Å; P266-G268 VanDerWaalsContact O-N 3.12Å; P266-L269 WeakPolarHBondContact O-CA 3.3Å; P266-L269 WeakPolarHBondContact O-CB 3.37Å; P266-L269 VanDerWaalsContact O-CG 3.25Å; P266-L269 WeakPolarHBondContact O-CG 3.32Å; P266-L269 PolarHBondContact O-N 2.8Å; P266-R272 HydrophobicContact CB-CG 4.19Å; P266-R272 HydrophobicContact CG-CG 4.22Å
267	D	91.5	Very high	95.3	Very high	75 Å²	75	47 Å²	47	40%	0.401	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	36.2	57	173	-159.5	31.2	0	0	0	114.9	Y261 Y262 H265	Y261-D267 HydrophobicContact CE1-CB 3.94Å; Y261-D267 PolarHBondContact OH-OD2 3.48Å; Y262-D267 HydrophobicContact CE1-CB 4.12Å; H265-D267 VanDerWaalsContact C-N 3.3Å; H265-D267 PolarHBondContact O-N 2.66Å
268	G	90.6	Very high	95.1	Very high	50 Å²	50	46.9 Å²	46.9	52%	0.515	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.3	-14.7	-178.6	0	0	0	0	0	115.5	P266 N565	P266-G268 VanDerWaalsContact C-N 3.34Å; P266-G268 PolarHBondContact O-N 3.35Å; P266-G268 VanDerWaalsContact O-N 3.12Å; G268-N565 WeakPolarHBondContact CA-ND2 3.47Å; G268-N565 PolarHBondContact O-ND2 3.23Å
269	L	94.7	Very high	94.5	Very high	11 Å²	11	49.3 Å²	49.3	6%	0.058	27%	0.273	C	S	.	.	S	Bend	trans	-68.4	154	168.3	-55.8	-170.5	0	0	0	111	L216 Y233 I246 Y262 P266 C271 L273	L216-L269 HydrophobicContact CD2-CD1 4.03Å; Y233-L269 HydrophobicContact CD1-CD2 3.47Å; Y233-L269 VanDerWaalsContact CD1-CD2 3.47Å; Y233-L269 HydrophobicContact CD2-CD2 3.71Å; Y233-L269 HydrophobicContact CE1-CD2 3.53Å; Y233-L269 HydrophobicContact CE2-CB 4.47Å; Y233-L269 HydrophobicContact CE2-CD2 3.78Å; Y233-L269 HydrophobicContact CG-CD2 3.56Å; I246-L269 HydrophobicContact CD1-CD2 4.12Å; I246-L269 HydrophobicContact CG2-CD2 4.48Å; Y262-L269 HydrophobicContact CD1-CD1 3.31Å; Y262-L269 HydrophobicContact CD1-CG 3.6Å; Y262-L269 HydrophobicContact CD2-CD1 4.22Å; Y262-L269 HydrophobicContact CE1-CD1 3.91Å; Y262-L269 HydrophobicContact CE1-CD2 4.31Å; Y262-L269 HydrophobicContact CE1-CG 3.73Å; Y262-L269 HydrophobicContact CG-CD1 3.51Å; Y262-L269 HydrophobicContact CG-CG 4.27Å; P266-L269 WeakPolarHBondContact O-CA 3.3Å; P266-L269 WeakPolarHBondContact O-CB 3.37Å; P266-L269 VanDerWaalsContact O-CG 3.25Å; P266-L269 WeakPolarHBondContact O-CG 3.32Å; P266-L269 PolarHBondContact O-N 2.8Å; L269-C271 PolarHBondContact O-N 2.99Å; L269-C271 VanDerWaalsContact O-N 3.17Å; L269-L273 HydrophobicContact CD1-CD2 4.17Å; L269-L273 HydrophobicContact CD1-CG 4.46Å
270	C	94.1	Very high	93.4	Very high	36 Å²	36	53.3 Å²	53.3	24%	0.243	31%	0.306	C	S	.	.	S	Bend	trans	-62.6	-24.2	-179.5	62.3	0	0	0	0	112.9	H220 K231 Y233	H220-C270 HydrophobicContact CB-CB 4.36Å; H220-C270 PolarHBondContact CE1-O 3.12Å; H220-C270 PolarHBondContact ND1-O 2.82Å; K231-C270 HydrophobicContact CG-CB 4.24Å; Y233-C270 VanDerWaalsContact OH-CB 3.32Å; Y233-C270 WeakPolarHBondContact OH-CB 3.38Å; Y233-C270 PolarHBondContact OH-N 2.86Å
271	C	95.9	Very high	92.3	Very high	16 Å²	16	52.7 Å²	52.7	11%	0.108	30%	0.298	C	S	.	.	S	Bend	trans	-164.3	169.5	171.8	53.1	0	0	0	0	110.3	K200 L269	K200-C271 HydrophobicContact CG-CB 4.46Å; L269-C271 PolarHBondContact O-N 2.99Å; L269-C271 VanDerWaalsContact O-N 3.17Å
272	R	97.3	Very high	91.4	Very high	152 Å²	152	56.9 Å²	56.9	57%	0.574	31%	0.314	S	S	*	.			trans	-64.1	144.9	169.3	-66	179	-171.7	175.9	-0.4	110.1	G201 V264 P266	G201-R272 WeakPolarHBondContact CA-O 3.32Å; V264-R272 WeakPolarHBondContact O-CD 3.17Å; V264-R272 PolarHBondContact O-NE 2.77Å; V264-R272 VanDerWaalsContact O-NE 3.1Å; P266-R272 HydrophobicContact CB-CG 4.19Å; P266-R272 HydrophobicContact CG-CG 4.22Å
273	L	98	Very high	90.5	Very high	7 Å²	7	57.8 Å²	57.8	4%	0.037	32%	0.32	C	S	.	.			trans	-68.6	133	170.6	-54.3	-175.8	0	0	0	109.2	Y203 L216 V218 V259 Y262 T263 L269	Y203-L273 HydrophobicContact CD1-CB 3.75Å; Y203-L273 HydrophobicContact CD1-CD1 4.43Å; Y203-L273 HydrophobicContact CD1-CD2 4.3Å; Y203-L273 HydrophobicContact CD1-CG 4.37Å; Y203-L273 HydrophobicContact CD2-CD1 4.22Å; Y203-L273 HydrophobicContact CE1-CB 3.97Å; Y203-L273 HydrophobicContact CE2-CD1 4.41Å; Y203-L273 HydrophobicContact CG-CB 4.29Å; Y203-L273 HydrophobicContact CG-CD1 4.25Å; Y203-L273 HydrophobicContact CG-CD2 4.06Å; Y203-L273 HydrophobicContact CG-CG 4.42Å; L216-L273 HydrophobicContact CD1-CD1 4.34Å; L216-L273 HydrophobicContact CD1-CD2 4.43Å; L216-L273 HydrophobicContact CD2-CD1 4.23Å; L216-L273 HydrophobicContact CD2-CD2 4.2Å; V218-L273 HydrophobicContact CG1-CD2 4.05Å; V218-L273 HydrophobicContact CG2-CD2 3.66Å; V259-L273 HydrophobicContact CG1-CD1 4.36Å; Y262-L273 PolarHBondContact O-N 3.19Å; T263-L273 WeakPolarHBondContact CA-O 3.41Å; T263-L273 HydrophobicContact CG2-CB 3.92Å; L269-L273 HydrophobicContact CD1-CD2 4.17Å; L269-L273 HydrophobicContact CD1-CG 4.46Å
274	S	96.6	Very high	89.7	Confident	51 Å²	51	56.9 Å²	56.9	36%	0.357	32%	0.315	S	S	.	.			trans	-103.8	-80.9	179.7	61.1	0	0	0	0	111.2	K200 G201 T202	K200-S274 WeakPolarHBondContact O-CB 3.39Å; K200-S274 PolarHBondContact O-OG 2.91Å; G201-S274 PolarHBondContact O-N 2.93Å; G201-S274 PolarHBondContact O-OG 3.02Å; T202-S274 PolarHBondContact N-OG 2.95Å; T202-S274 VanDerWaalsContact N-OG 3.15Å
275	I	96.2	Very high	89	Confident	74 Å²	74	54.4 Å²	54.4	38%	0.379	30%	0.3	S	S	.	.	S	Bend	trans	-124.2	148.7	179.8	62.5	172.1	0	0	0	111.2	P199 T202 Y203	P199-I275 HydrophobicContact CG-CD1 3.77Å; P199-I275 HydrophobicContact CG-CG1 3.92Å; T202-I275 VanDerWaalsContact CA-O 3.28Å; T202-I275 WeakPolarHBondContact CA-O 3.15Å; T202-I275 HydrophobicContact CG2-CG1 4.42Å; Y203-I275 WeakPolarHBondContact CD1-O 3.24Å; Y203-I275 WeakPolarHBondContact CE1-O 3.24Å; Y203-I275 PolarHBondContact N-O 3.32Å
276	P	95.7	Very high	88.3	Confident	42 Å²	42	50.9 Å²	50.9	27%	0.273	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-61.2	146.1	169.2	26.8	-34.2	0	0	0	110	D179 A180 Y203 P278	D179-P276 HydrophobicContact CB-CG 4.5Å; A180-P276 HydrophobicContact CB-CB 3.93Å; Y203-P276 HydrophobicContact CE1-CB 4.49Å; Y203-P276 CarbonylContact O-C 3.53Å; Y203-P276 WeakPolarHBondContact O-CA 3.35Å; P276-P278 WeakPolarHBondContact O-CD 3.46Å
277	C	95.2	Very high	88	Confident	5 Å²	5	48.9 Å²	48.9	3%	0.034	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-53.8	121.1	177.9	-174.5	0	0	0	0	109.5	Y182 L193 T202 Y203 L204 R279	Y182-C277 HydrophobicContact CE2-CB 4.01Å; Y182-C277 PolarHBondContact OH-O 2.78Å; L193-C277 HydrophobicContact CD2-CB 3.91Å; T202-C277 HydrophobicContact CG2-CB 4.17Å; Y203-C277 PolarHBondContact O-N 2.68Å; L204-C277 HydrophobicContact CB-CB 4Å; L204-C277 HydrophobicContact CD2-CB 4.13Å; C277-R279 PolarHBondContact O-N 3.09Å
278	P	90.2	Very high	87.5	Confident	60 Å²	60	49.1 Å²	49.1	39%	0.39	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-61.3	133.9	-177	-24.5	33.9	0	0	0	112.3	Y182 N198 P276 A280	Y182-P278 PolarHBondContact OH-O 3.33Å; N198-P278 WeakPolarHBondContact OD1-CD 3.31Å; P276-P278 WeakPolarHBondContact O-CD 3.46Å; P278-A280 PolarHBondContact O-N 3.12Å
279	R	83.5	Confident	87.3	Confident	50 Å²	50	51.8 Å²	51.8	19%	0.189	27%	0.268	C	S	.	.			trans	-80.7	68.4	169	-66.5	-175.7	-171.1	-80.9	-0	110.2	Y121 W181 Y182 C277 Y281	Y121-R279 HydrophobicContact CD1-CB 4.45Å; Y121-R279 HydrophobicContact CE1-CB 3.74Å; Y121-R279 HydrophobicContact CE1-CG 4.38Å; W181-R279 PolarHBondContact O-NH2 2.96Å; Y182-R279 HydrophobicContact CE1-CG 4.24Å; Y182-R279 WeakPolarHBondContact OH-CG 3.23Å; Y182-R279 PolarHBondContact OH-N 3.41Å; C277-R279 PolarHBondContact O-N 3.09Å; R279-Y281 VanDerWaalsContact C-N 3.33Å
280	A	72	Confident	86.9	Confident	87 Å²	87	52.8 Å²	52.8	72%	0.719	27%	0.272	S	S	*	.			trans	-67.5	-35.1	-177.1	0	0	0	0	0	112.5	P278	P278-A280 PolarHBondContact O-N 3.12Å
281	Y	71.1	Confident	86.8	Confident	62 Å²	62	54.7 Å²	54.7	24%	0.243	28%	0.277	C	S	.	.	S	Bend	trans	-82.2	123.6	175.2	179	-99.1	0	0	0	110.4	Y121 R279 P284 E371 D427 K433	Y121-Y281 WeakPolarHBondContact CE1-O 3.41Å; R279-Y281 VanDerWaalsContact C-N 3.33Å; Y281-P284 WeakPolarHBondContact OH-CD 3.45Å; Y281-E371 PolarHBondContact OH-OE2 3.4Å; Y281-D427 WeakPolarHBondContact CD2-OD2 3.21Å; Y281-D427 WeakPolarHBondContact CE2-OD2 3.36Å; Y281-K433 PolarHBondContact OH-NZ 3Å
282	R	78.1	Confident	86.5	Confident	152 Å²	152	55 Å²	55	57%	0.574	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-92.8	128.2	170.3	-64.7	-173.1	-173.6	-171	2	108.4	Y121	Y121-R282 HydrophobicContact CD1-CG 4.13Å
283	P	79.6	Confident	86.3	Confident	20 Å²	20	52.8 Å²	52.8	13%	0.13	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-63.4	147.1	178.1	26.9	-31.7	0	0	0	109.9	Y121 Y167	Y121-P283 HydrophobicContact CD2-CG 4.35Å; Y121-P283 HydrophobicContact CE2-CG 3.81Å; Y121-P283 VanDerWaalsContact CZ-CD 3.45Å; Y167-P283 HydrophobicContact CD2-CG 4.02Å; Y167-P283 HydrophobicContact CE2-CG 3.73Å; Y167-P283 VanDerWaalsContact CE2-O 3.24Å; Y167-P283 WeakPolarHBondContact CE2-O 3.25Å; Y167-P283 PolarHBondContact OH-O 2.97Å
284	P	80.6	Confident	86.1	Confident	30 Å²	30	53.2 Å²	53.2	20%	0.195	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-62.7	141	176.6	24.8	-32.7	0	0	0	110	N166 Y281 Q353 L355 E371	N166-P284 PolarHBondContact ND2-O 3.07Å; Y281-P284 WeakPolarHBondContact OH-CD 3.45Å; P284-Q353 HydrophobicContact CG-CB 3.94Å; P284-Q353 HydrophobicContact CG-CG 4.29Å; P284-L355 HydrophobicContact CB-CD2 3.86Å; P284-E371 HydrophobicContact CB-CB 3.99Å; P284-E371 HydrophobicContact CG-CB 4.33Å
285	V	81.1	Confident	85.9	Confident	25 Å²	25	57.3 Å²	57.3	15%	0.152	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-96	117.5	172.2	178.7	0	0	0	0	106.9	Y123 W149 P164 Y167	Y123-V285 HydrophobicContact CD2-CG2 4.46Å; Y123-V285 HydrophobicContact CE2-CG1 4.41Å; Y123-V285 HydrophobicContact CE2-CG2 4.22Å; W149-V285 HydrophobicContact CH2-CG1 3.71Å; W149-V285 HydrophobicContact CZ2-CG1 3.43Å; W149-V285 VanDerWaalsContact CZ2-CG1 3.43Å; P164-V285 HydrophobicContact CB-CG1 4.16Å; P164-V285 HydrophobicContact CB-CG2 4.24Å; P164-V285 HydrophobicContact CG-CG1 4.44Å; P164-V285 HydrophobicContact CG-CG2 4.21Å; Y167-V285 HydrophobicContact CD2-CG2 4.06Å; Y167-V285 HydrophobicContact CE1-CG2 4.43Å; Y167-V285 HydrophobicContact CE2-CG2 3.3Å
286	Q	80.7	Confident	85.8	Confident	16 Å²	16	54.8 Å²	54.8	8%	0.075	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-62	147	171.2	-74.4	-170	-28.3	0	0	109.7	A148 W149 H344 H347 Q353	A148-Q286 HydrophobicContact CB-CB 4.5Å; W149-Q286 WeakPolarHBondContact CZ2-O 3.31Å; W149-Q286 PolarHBondContact NE1-O 2.96Å; W149-Q286 VanDerWaalsContact NE1-O 3.17Å; Q286-H344 PolarHBondContact NE2-O 2.88Å; Q286-H347 PolarHBondContact NE2-NE2 3.24Å; Q286-H347 PolarHBondContact OE1-NE2 3.15Å; Q286-Q353 HydrophobicContact CG-CG 4.18Å
287	F	84.8	Confident	85.7	Confident	6 Å²	6	53.5 Å²	53.5	3%	0.026	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-65.2	153.1	173.6	-54.8	-35.6	0	0	0	110.5	D289 I292 W316 V322 L355 I369	F287-D289 VanDerWaalsContact C-N 3.3Å; F287-D289 WeakPolarHBondContact CB-O 3.3Å; F287-I292 HydrophobicContact CB-CG2 4.08Å; F287-I292 HydrophobicContact CD2-CD1 3.96Å; F287-I292 HydrophobicContact CD2-CG2 3.68Å; F287-I292 HydrophobicContact CE2-CD1 3.68Å; F287-I292 HydrophobicContact CE2-CG2 4.47Å; F287-I292 HydrophobicContact CG-CG2 4.11Å; F287-I292 HydrophobicContact CZ-CD1 4.35Å; F287-W316 AromaticContact CD1-CD2 3.8Å; F287-W316 HydrophobicContact CD1-CD2 3.8Å; F287-W316 AromaticContact CD1-CE2 3.83Å; F287-W316 AromaticContact CD1-CE3 3.76Å; F287-W316 HydrophobicContact CD1-CE3 3.76Å; F287-W316 AromaticContact CD1-CH2 3.83Å; F287-W316 HydrophobicContact CD1-CH2 3.83Å; F287-W316 AromaticContact CD1-CZ2 3.86Å; F287-W316 HydrophobicContact CD1-CZ2 3.86Å; F287-W316 AromaticContact CD1-CZ3 3.78Å; F287-W316 HydrophobicContact CD1-CZ3 3.78Å; F287-W316 HydrophobicContact CE1-CB 4.27Å; F287-W316 AromaticContact CE1-CD2 3.37Å; F287-W316 HydrophobicContact CE1-CD2 3.37Å; F287-W316 AromaticContact CE1-CE2 3.87Å; F287-W316 AromaticContact CE1-CE3 3.37Å; F287-W316 HydrophobicContact CE1-CE3 3.37Å; F287-W316 AromaticContact CE1-CG 3.79Å; F287-W316 HydrophobicContact CE1-CG 3.79Å; F287-W316 HydrophobicContact CE1-CH2 4.31Å; F287-W316 HydrophobicContact CE1-CZ2 4.32Å; F287-W316 AromaticContact CE1-CZ3 3.86Å; F287-W316 HydrophobicContact CE1-CZ3 3.86Å; F287-W316 HydrophobicContact CG-CZ2 4.46Å; F287-W316 HydrophobicContact CZ-CB 4.17Å; F287-W316 HydrophobicContact CZ-CD2 4Å; F287-W316 HydrophobicContact CZ-CE3 4.35Å; F287-W316 AromaticContact CZ-CG 3.91Å; F287-W316 HydrophobicContact CZ-CG 3.91Å; F287-V322 HydrophobicContact CZ-CG1 4.29Å; F287-L355 WeakPolarHBondContact CB-O 3.49Å; F287-L355 HydrophobicContact CD1-CB 4.48Å; F287-L355 VanDerWaalsContact CD2-C 3.47Å; F287-L355 HydrophobicContact CD2-CB 3.98Å; F287-L355 WeakPolarHBondContact CD2-O 3.23Å; F287-L355 HydrophobicContact CE1-CB 4.16Å; F287-L355 HydrophobicContact CE1-CD1 4.35Å; F287-L355 HydrophobicContact CE2-CB 3.61Å; F287-L355 HydrophobicContact CG-CB 4.39Å; F287-L355 WeakPolarHBondContact CG-O 3.35Å; F287-L355 HydrophobicContact CZ-CB 3.72Å; F287-L355 HydrophobicContact CZ-CD1 4.08Å; F287-L355 PolarHBondContact N-O 3.48Å; F287-I369 HydrophobicContact CE2-CB 4.08Å; F287-I369 HydrophobicContact CE2-CD1 4.02Å; F287-I369 HydrophobicContact CE2-CG2 3.75Å; F287-I369 HydrophobicContact CZ-CG2 3.83Å
288	R	82.6	Confident	85.8	Confident	79 Å²	79	57.2 Å²	57.2	30%	0.298	30%	0.298	S	S	.	.	S	Bend	trans	-62.7	-42.4	173.7	-85.6	-88.9	-65.7	-150	-14.8	111.3	N127 D129 W149 Y162	N127-R288 WeakPolarHBondContact ND2-CG 3.38Å; D129-R288 IonicContact OD1-NH2 3.37Å; D129-R288 PolarHBondContact OD1-NH2 3.38Å; D129-R288 IonicContact OD2-CZ 2.72Å; D129-R288 IonicContact OD2-NH1 3.49Å; D129-R288 IonicContact OD2-NH2 2.67Å; D129-R288 PolarHBondContact OD2-NH2 3.15Å; W149-R288 HydrophobicContact CD2-CG 4.19Å; W149-R288 HydrophobicContact CH2-CG 4.22Å; W149-R288 HydrophobicContact CZ2-CG 3.84Å; Y162-R288 VanDerWaalsContact CE1-NH1 3.29Å
289	D	85.1	Confident	86	Confident	106 Å²	106	60.1 Å²	60.1	57%	0.567	30%	0.301	S	S	*	.	S	Bend	trans	-104.5	132.8	177.2	-59.5	-49.5	0	0	0	109.9	F287 I292	F287-D289 VanDerWaalsContact C-N 3.3Å; F287-D289 WeakPolarHBondContact CB-O 3.3Å; D289-I292 WeakPolarHBondContact O-CG2 3.42Å
290	F	86.8	Confident	86.6	Confident	33 Å²	33	61.9 Å²	61.9	15%	0.145	31%	0.314	C	S	.	.	S	Bend	trans	-66.2	-42.7	178.3	171.1	-107.7	0	0	0	111.9	I337 A340 R341 H344 L354 G356 V357	F290-I337 HydrophobicContact CE1-CG2 4.21Å; F290-A340 HydrophobicContact CE2-CB 4.4Å; F290-A340 HydrophobicContact CZ-CB 3.7Å; F290-R341 HydrophobicContact CD1-CG 4.04Å; F290-R341 HydrophobicContact CE1-CG 3.65Å; F290-R341 HydrophobicContact CE2-CG 4.35Å; F290-R341 HydrophobicContact CZ-CG 3.81Å; F290-H344 HydrophobicContact CD2-CB 3.92Å; F290-H344 AromaticContact CD2-CD2 3.67Å; F290-H344 AromaticContact CD2-CG 3.65Å; F290-H344 HydrophobicContact CE2-CB 3.72Å; F290-H344 AromaticContact CE2-CG 3.96Å; F290-L354 HydrophobicContact CE2-CD2 4.21Å; F290-G356 CarbonylContact O-C 3.55Å; F290-G356 VanDerWaalsContact O-CA 3.22Å; F290-G356 WeakPolarHBondContact O-CA 3.5Å; F290-V357 HydrophobicContact CD1-CG2 4.23Å; F290-V357 HydrophobicContact CE1-CG2 3.65Å; F290-V357 HydrophobicContact CE2-CG1 4.33Å; F290-V357 HydrophobicContact CE2-CG2 4.38Å; F290-V357 HydrophobicContact CZ-CG1 4.04Å; F290-V357 HydrophobicContact CZ-CG2 3.75Å; F290-V357 PolarHBondContact O-N 2.88Å
291	E	91.2	Very high	87.7	Confident	76 Å²	76	65.2 Å²	65.2	36%	0.355	31%	0.308	S	S	.	.	B	Isolated β-bridge	trans	-98	120.3	172.6	-64.1	-176	-127.9	0	0	108.4	V357 T359	E291-V357 WeakPolarHBondContact CA-O 3.22Å; E291-V357 HydrophobicContact CG-CG2 3.86Å; E291-T359 PolarHBondContact OE2-OG1 2.91Å
292	I	91.2	Very high	88.7	Confident	22 Å²	22	65.9 Å²	65.9	11%	0.113	31%	0.312	C	S	.	.			trans	-112.2	153.9	-179.7	69.6	166.4	0	0	0	111	F287 D289 R294 I297 V357 C358 I369	F287-I292 HydrophobicContact CB-CG2 4.08Å; F287-I292 HydrophobicContact CD2-CD1 3.96Å; F287-I292 HydrophobicContact CD2-CG2 3.68Å; F287-I292 HydrophobicContact CE2-CD1 3.68Å; F287-I292 HydrophobicContact CE2-CG2 4.47Å; F287-I292 HydrophobicContact CG-CG2 4.11Å; F287-I292 HydrophobicContact CZ-CD1 4.35Å; D289-I292 WeakPolarHBondContact O-CG2 3.42Å; I292-R294 PolarHBondContact O-N 2.83Å; I292-I297 HydrophobicContact CD1-CD1 3.8Å; I292-I297 HydrophobicContact CD1-CG1 3.88Å; I292-V357 PolarHBondContact N-O 2.81Å; I292-C358 VanDerWaalsContact CG1-SG 3.59Å; I292-C358 PolarHBondContact O-SG 3.13Å; I292-C358 VanDerWaalsContact O-SG 3.39Å; I292-I369 HydrophobicContact CD1-CD1 3.23Å; I292-I369 HydrophobicContact CG1-CD1 3.68Å
293	N	92	Very high	89.3	Confident	105 Å²	105	62.2 Å²	62.2	56%	0.561	30%	0.303	S	S	*	.			trans	-63.4	127	175	-174.1	-29.9	0	0	0	110.2	D295 S296	N293-D295 PolarHBondContact O-N 2.75Å; N293-D295 WeakPolarHBondContact OD1-CB 3.47Å; N293-D295 PolarHBondContact OD1-N 2.73Å; N293-S296 VanDerWaalsContact O-CB 3.28Å; N293-S296 WeakPolarHBondContact O-CB 3.38Å; N293-S296 PolarHBondContact O-N 3.01Å; N293-S296 PolarHBondContact O-OG 2.87Å
294	R	93.3	Very high	89.5	Confident	16 Å²	16	62.7 Å²	62.7	6%	0.06	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-52.7	-36.5	176	-177.9	-178.2	-62	-96.7	-5.7	113.5	I292 S296 I297 C358 E360 P365 Y367	I292-R294 PolarHBondContact O-N 2.83Å; R294-S296 PolarHBondContact O-N 3.09Å; R294-I297 WeakPolarHBondContact O-CB 3.44Å; R294-I297 PolarHBondContact O-N 3.37Å; R294-C358 HydrophobicContact CB-CB 4.25Å; R294-E360 PolarHBondContact NE-O 2.83Å; R294-E360 PolarHBondContact NH2-O 3.49Å; R294-P365 PolarHBondContact NH1-O 3.3Å; R294-P365 PolarHBondContact NH2-O 3.05Å; R294-Y367 HydrophobicContact CG-CD2 4.35Å; R294-Y367 HydrophobicContact CG-CE2 3.87Å; R294-Y367 PolarHBondContact NH1-OH 2.83Å
295	D	93.4	Very high	89.5	Confident	138 Å²	138	67.9 Å²	67.9	74%	0.738	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-66.8	-19.1	-179	-62	-28	0	0	0	112.6	N293 I297	N293-D295 PolarHBondContact O-N 2.75Å; N293-D295 WeakPolarHBondContact OD1-CB 3.47Å; N293-D295 PolarHBondContact OD1-N 2.73Å; D295-I297 PolarHBondContact O-N 3.04Å
296	S	93	Very high	88.9	Confident	20 Å²	20	68.8 Å²	68.8	14%	0.14	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-71.1	-11.5	171.5	74	0	0	0	0	113.1	N293 R294 W316 N317	N293-S296 VanDerWaalsContact O-CB 3.28Å; N293-S296 WeakPolarHBondContact O-CB 3.38Å; N293-S296 PolarHBondContact O-N 3.01Å; N293-S296 PolarHBondContact O-OG 2.87Å; R294-S296 PolarHBondContact O-N 3.09Å; S296-W316 WeakPolarHBondContact O-CA 3.1Å; S296-N317 WeakPolarHBondContact CB-OD1 3.41Å; S296-N317 PolarHBondContact O-N 2.98Å
297	I	95	Very high	87.9	Confident	15 Å²	15	71.6 Å²	71.6	8%	0.077	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	110.7	-176.9	-62.4	-65.3	0	0	0	110.4	I292 R294 D295 A314 W316 V322 V324 Y367 I369	I292-I297 HydrophobicContact CD1-CD1 3.8Å; I292-I297 HydrophobicContact CD1-CG1 3.88Å; R294-I297 WeakPolarHBondContact O-CB 3.44Å; R294-I297 PolarHBondContact O-N 3.37Å; D295-I297 PolarHBondContact O-N 3.04Å; I297-A314 HydrophobicContact CG2-CB 3.86Å; I297-W316 HydrophobicContact CD1-CB 3.77Å; I297-W316 HydrophobicContact CD1-CG 4.23Å; I297-V322 HydrophobicContact CD1-CG2 4.33Å; I297-V324 HydrophobicContact CG2-CG2 3.81Å; I297-Y367 HydrophobicContact CG2-CD2 4.36Å; I297-Y367 HydrophobicContact CG2-CE2 4.36Å; I297-I369 HydrophobicContact CD1-CD1 3.82Å; I297-I369 HydrophobicContact CG1-CD1 3.92Å
298	T	95.7	Very high	86.9	Confident	84 Å²	84	73.1 Å²	73.1	52%	0.515	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	108.9	171.9	-54.9	0	0	0	0	109.9	A314 K315	T298-A314 CarbonylContact O-C 3.59Å; T298-A314 WeakPolarHBondContact O-CA 3.18Å; T298-A314 WeakPolarHBondContact O-CB 3.37Å; T298-K315 PolarHBondContact N-O 3.19Å; T298-K315 PolarHBondContact O-N 3.21Å
299	R	94.6	Very high	86.6	Confident	120 Å²	120	69.9 Å²	69.9	45%	0.453	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	132.8	174	-63.6	179.8	-65.2	166.2	1.7	110.1	Y312 M326	R299-Y312 HydrophobicContact CB-CD1 4.26Å; R299-Y312 HydrophobicContact CG-CG 4.5Å; R299-M326 PolarHBondContact NH1-SD 2.73Å
300	I	95.8	Very high	86.7	Confident	88 Å²	88	66.5 Å²	66.5	45%	0.451	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	-57.5	-177.4	-61.4	174.5	0	0	0	111.1	L313 K315	I300-L313 HydrophobicContact CB-CD2 4.43Å; I300-L313 HydrophobicContact CB-CG 4.23Å; I300-L313 WeakPolarHBondContact CB-O 3.3Å; I300-L313 HydrophobicContact CD1-CG 4.28Å; I300-L313 HydrophobicContact CG2-CD2 4.33Å; I300-L313 PolarHBondContact N-O 3.17Å; I300-K315 HydrophobicContact CD1-CB 4.34Å; I300-K315 HydrophobicContact CD1-CD 3.72Å; I300-K315 HydrophobicContact CD1-CG 3.64Å
301	R	95.3	Very high	86.9	Confident	157 Å²	157	66.9 Å²	66.9	59%	0.592	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-150.8	141.5	-174.3	174.4	170.8	69.6	106.4	-4.3	110.8	L303 Y312 L313	R301-L303 PolarHBondContact O-N 2.88Å; R301-Y312 CarbonylContact O-C 3.51Å; R301-Y312 WeakPolarHBondContact O-CA 3.42Å; R301-L313 PolarHBondContact N-O 2.87Å; R301-L313 PolarHBondContact O-N 2.79Å
302	K	93.5	Very high	87	Confident	75 Å²	75	65.1 Å²	65.1	33%	0.326	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	124	170.6	-172.4	171.1	174.2	175.6	0	109.9	E310 Y312	K302-E310 WeakPolarHBondContact CE-OE1 3.39Å; K302-E310 IonicContact NZ-OE1 3.35Å; K302-E310 PolarHBondContact NZ-OE1 2.85Å; K302-Y312 HydrophobicContact CB-CD1 4.1Å; K302-Y312 HydrophobicContact CB-CE1 3.77Å; K302-Y312 HydrophobicContact CG-CE1 4.38Å; K302-Y312 HydrophobicContact CG-CE2 4.48Å
303	L	90.5	Very high	87.2	Confident	75 Å²	75	65.1 Å²	65.1	39%	0.393	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	-37	176.4	-67.6	174.5	0	0	0	111.5	R301 V311 L313 L372	R301-L303 PolarHBondContact O-N 2.88Å; L303-V311 HydrophobicContact CB-CB 4.49Å; L303-V311 HydrophobicContact CB-CG1 4.31Å; L303-V311 HydrophobicContact CD1-CG1 4.25Å; L303-V311 PolarHBondContact N-O 3.46Å; L303-L313 HydrophobicContact CD1-CB 4.07Å; L303-L313 HydrophobicContact CD2-CB 4.03Å; L303-L313 HydrophobicContact CG-CB 4.01Å; L303-L372 HydrophobicContact CD1-CD1 3.82Å
304	G	84	Confident	87.4	Confident	30 Å²	30	60.1 Å²	60.1	31%	0.309	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.8	174.5	-178.1	0	0	0	0	0	112.9	V311	G304-V311 PolarHBondContact N-O 2.89Å; G304-V311 PolarHBondContact O-N 2.89Å
305	Q	80.5	Confident	87.5	Confident	140 Å²	140	62.9 Å²	62.9	65%	0.654	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.6	119.8	172.4	-177.2	168.7	-6.1	0	0	107.7	E310	Q305-E310 HydrophobicContact CG-CG 4.46Å
306	G	67.1	Low	87.4	Confident	44 Å²	44	57.1 Å²	57.1	45%	0.454	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	180	176.3	0	0	0	0	0	111.4	F308 G309	G306-F308 PolarHBondContact O-N 2.7Å; G306-F308 VanDerWaalsContact O-N 3.08Å; G306-G309 PolarHBondContact N-O 3.09Å; G306-G309 PolarHBondContact O-N 2.64Å
307	T	61.1	Low	87.2	Confident	74 Å²	74	60 Å²	60	45%	0.454	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-26.7	176.1	-38.2	0	0	0	0	112.8	K454	T307-K454 HydrophobicContact CG2-CB 4.3Å; T307-K454 HydrophobicContact CG2-CD 4.28Å; T307-K454 HydrophobicContact CG2-CG 4.06Å
308	F	64.1	Low	86.8	Confident	39 Å²	39	61.5 Å²	61.5	17%	0.171	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	7.2	-171.3	-49.4	-56.7	0	0	0	113.9	G306 I443	G306-F308 PolarHBondContact O-N 2.7Å; G306-F308 VanDerWaalsContact O-N 3.08Å; F308-I443 HydrophobicContact CB-CD1 4.31Å; F308-I443 HydrophobicContact CD1-CD1 3.24Å; F308-I443 HydrophobicContact CD1-CG2 4.39Å; F308-I443 HydrophobicContact CE1-CD1 3.58Å; F308-I443 HydrophobicContact CE1-CG2 4.21Å; F308-I443 HydrophobicContact CG-CD1 3.85Å; F308-I443 HydrophobicContact CZ-CD1 4.45Å
309	G	75.8	Confident	86.3	Confident	10 Å²	10	60.6 Å²	60.6	10%	0.103	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	127.5	-160.9	177.9	0	0	0	0	0	113.4	G306 M326	G306-G309 PolarHBondContact N-O 3.09Å; G306-G309 PolarHBondContact O-N 2.64Å; G309-M326 WeakPolarHBondContact CA-O 3.4Å
310	E	86.5	Confident	86	Confident	36 Å²	36	56.9 Å²	56.9	17%	0.168	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	143.3	-174.9	-57.2	-172.6	134.6	0	0	110.9	K302 Q305 Y312 K325 M326	K302-E310 WeakPolarHBondContact CE-OE1 3.39Å; K302-E310 IonicContact NZ-OE1 3.35Å; K302-E310 PolarHBondContact NZ-OE1 2.85Å; Q305-E310 HydrophobicContact CG-CG 4.46Å; E310-Y312 HydrophobicContact CB-CD2 4.2Å; E310-Y312 HydrophobicContact CB-CE2 3.52Å; E310-Y312 HydrophobicContact CG-CE2 4.45Å; E310-Y312 VanDerWaalsContact OE2-CE2 3.27Å; E310-Y312 WeakPolarHBondContact OE2-CE2 3.37Å; E310-Y312 PolarHBondContact OE2-OH 2.88Å; E310-K325 WeakPolarHBondContact O-CA 3.41Å; E310-M326 HydrophobicContact CB-CE 4.16Å; E310-M326 PolarHBondContact N-O 3.24Å; E310-M326 PolarHBondContact O-N 2.93Å; E310-M326 WeakPolarHBondContact OE2-CE 3.49Å
311	V	90.7	Very high	85.9	Confident	40 Å²	40	56 Å²	56	24%	0.242	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	131.2	176.5	-173.3	0	0	0	0	108.8	L303 G304 V324 K325	L303-V311 HydrophobicContact CB-CB 4.49Å; L303-V311 HydrophobicContact CB-CG1 4.31Å; L303-V311 HydrophobicContact CD1-CG1 4.25Å; L303-V311 PolarHBondContact N-O 3.46Å; G304-V311 PolarHBondContact N-O 2.89Å; G304-V311 PolarHBondContact O-N 2.89Å; V311-V324 CarbonylContact C-O 3.55Å; V311-V324 WeakPolarHBondContact CA-O 3.45Å; V311-K325 HydrophobicContact CG2-CB 4.33Å; V311-K325 HydrophobicContact CG2-CG 4.1Å
312	Y	94.3	Very high	85.9	Confident	39 Å²	39	48.5 Å²	48.5	15%	0.153	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	144	179.7	-72.2	-102.3	0	0	0	111	R299 R301 K302 E310 A323 V324 M326	R299-Y312 HydrophobicContact CB-CD1 4.26Å; R299-Y312 HydrophobicContact CG-CG 4.5Å; R301-Y312 CarbonylContact O-C 3.51Å; R301-Y312 WeakPolarHBondContact O-CA 3.42Å; K302-Y312 HydrophobicContact CB-CD1 4.1Å; K302-Y312 HydrophobicContact CB-CE1 3.77Å; K302-Y312 HydrophobicContact CG-CE1 4.38Å; K302-Y312 HydrophobicContact CG-CE2 4.48Å; E310-Y312 HydrophobicContact CB-CD2 4.2Å; E310-Y312 HydrophobicContact CB-CE2 3.52Å; E310-Y312 HydrophobicContact CG-CE2 4.45Å; E310-Y312 VanDerWaalsContact OE2-CE2 3.27Å; E310-Y312 WeakPolarHBondContact OE2-CE2 3.37Å; E310-Y312 PolarHBondContact OE2-OH 2.88Å; Y312-A323 CarbonylContact O-C 3.5Å; Y312-A323 WeakPolarHBondContact O-CA 3.19Å; Y312-V324 PolarHBondContact N-O 3.05Å; Y312-V324 PolarHBondContact O-N 3.14Å; Y312-M326 HydrophobicContact CD2-CE 3.89Å; Y312-M326 HydrophobicContact CD2-CG 4.41Å; Y312-M326 HydrophobicContact CD2-SD 4.16Å; Y312-M326 HydrophobicContact CE2-CE 3.26Å; Y312-M326 HydrophobicContact CE2-SD 4.08Å
313	L	95.8	Very high	86	Confident	22 Å²	22	45.4 Å²	45.4	12%	0.115	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	128	154.6	171.4	62.6	0	0	0	106.9	I300 R301 L303 E321 L372	I300-L313 HydrophobicContact CB-CD2 4.43Å; I300-L313 HydrophobicContact CB-CG 4.23Å; I300-L313 WeakPolarHBondContact CB-O 3.3Å; I300-L313 HydrophobicContact CD1-CG 4.28Å; I300-L313 HydrophobicContact CG2-CD2 4.33Å; I300-L313 PolarHBondContact N-O 3.17Å; R301-L313 PolarHBondContact N-O 2.87Å; R301-L313 PolarHBondContact O-N 2.79Å; L303-L313 HydrophobicContact CD1-CB 4.07Å; L303-L313 HydrophobicContact CD2-CB 4.03Å; L303-L313 HydrophobicContact CG-CB 4.01Å; L313-E321 HydrophobicContact CD1-CB 4.3Å; L313-L372 HydrophobicContact CD1-CD1 3.93Å; L313-L372 HydrophobicContact CD1-CD2 3.51Å; L313-L372 HydrophobicContact CD1-CG 4.32Å
314	A	96.2	Very high	86.1	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	169.7	176.1	0	0	0	0	0	111.1	I297 T298 E321 V322 V324	I297-A314 HydrophobicContact CG2-CB 3.86Å; T298-A314 CarbonylContact O-C 3.59Å; T298-A314 WeakPolarHBondContact O-CA 3.18Å; T298-A314 WeakPolarHBondContact O-CB 3.37Å; A314-E321 WeakPolarHBondContact O-CA 3.42Å; A314-V322 HydrophobicContact CB-CG2 4.06Å; A314-V322 PolarHBondContact N-O 2.89Å; A314-V322 PolarHBondContact O-N 3.35Å; A314-V324 HydrophobicContact CB-CB 4.32Å; A314-V324 HydrophobicContact CB-CG2 3.51Å
315	K	94.7	Very high	86.4	Confident	74 Å²	74	41.3 Å²	41.3	32%	0.322	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	128.5	169	-83.2	173.7	-180	-167.4	0	110.5	T298 I300 G318 V320 E321	T298-K315 PolarHBondContact N-O 3.19Å; T298-K315 PolarHBondContact O-N 3.21Å; I300-K315 HydrophobicContact CD1-CB 4.34Å; I300-K315 HydrophobicContact CD1-CD 3.72Å; I300-K315 HydrophobicContact CD1-CG 3.64Å; K315-G318 WeakPolarHBondContact CD-O 3.22Å; K315-V320 CarbonylContact C-O 3.53Å; K315-V320 VanDerWaalsContact CA-O 3.24Å; K315-V320 WeakPolarHBondContact CA-O 3.27Å; K315-E321 HydrophobicContact CG-CG 4.41Å
316	W	92.2	Very high	86.5	Confident	17 Å²	17	35 Å²	35	6%	0.064	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	129.2	165.8	175.4	61.9	0	0	0	109.9	H126 F287 S296 I297 G318 S319 V320 V322	H126-W316 HydrophobicContact CB-CH2 3.67Å; H126-W316 HydrophobicContact CB-CZ3 3.8Å; H126-W316 AromaticContact CD2-CZ3 3.75Å; H126-W316 AromaticContact CG-CZ3 3.76Å; F287-W316 AromaticContact CD1-CD2 3.8Å; F287-W316 HydrophobicContact CD1-CD2 3.8Å; F287-W316 AromaticContact CD1-CE2 3.83Å; F287-W316 AromaticContact CD1-CE3 3.76Å; F287-W316 HydrophobicContact CD1-CE3 3.76Å; F287-W316 AromaticContact CD1-CH2 3.83Å; F287-W316 HydrophobicContact CD1-CH2 3.83Å; F287-W316 AromaticContact CD1-CZ2 3.86Å; F287-W316 HydrophobicContact CD1-CZ2 3.86Å; F287-W316 AromaticContact CD1-CZ3 3.78Å; F287-W316 HydrophobicContact CD1-CZ3 3.78Å; F287-W316 HydrophobicContact CE1-CB 4.27Å; F287-W316 AromaticContact CE1-CD2 3.37Å; F287-W316 HydrophobicContact CE1-CD2 3.37Å; F287-W316 AromaticContact CE1-CE2 3.87Å; F287-W316 AromaticContact CE1-CE3 3.37Å; F287-W316 HydrophobicContact CE1-CE3 3.37Å; F287-W316 AromaticContact CE1-CG 3.79Å; F287-W316 HydrophobicContact CE1-CG 3.79Å; F287-W316 HydrophobicContact CE1-CH2 4.31Å; F287-W316 HydrophobicContact CE1-CZ2 4.32Å; F287-W316 AromaticContact CE1-CZ3 3.86Å; F287-W316 HydrophobicContact CE1-CZ3 3.86Å; F287-W316 HydrophobicContact CG-CZ2 4.46Å; F287-W316 HydrophobicContact CZ-CB 4.17Å; F287-W316 HydrophobicContact CZ-CD2 4Å; F287-W316 HydrophobicContact CZ-CE3 4.35Å; F287-W316 AromaticContact CZ-CG 3.91Å; F287-W316 HydrophobicContact CZ-CG 3.91Å; S296-W316 WeakPolarHBondContact O-CA 3.1Å; I297-W316 HydrophobicContact CD1-CB 3.77Å; I297-W316 HydrophobicContact CD1-CG 4.23Å; W316-G318 PolarHBondContact O-N 3.34Å; W316-S319 PolarHBondContact O-N 3.28Å; W316-V320 HydrophobicContact CB-CB 4.37Å; W316-V320 HydrophobicContact CE3-CB 3.96Å; W316-V320 HydrophobicContact CE3-CG2 3.72Å; W316-V320 HydrophobicContact CZ3-CG2 4.15Å; W316-V320 PolarHBondContact N-O 2.9Å; W316-V320 PolarHBondContact O-N 2.94Å; W316-V320 VanDerWaalsContact O-N 3.08Å; W316-V322 HydrophobicContact CB-CG1 4.43Å
317	N	88.7	Confident	86.8	Confident	80 Å²	80	34.4 Å²	34.4	43%	0.428	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	31.8	-177.1	-73.9	-18	0	0	0	113.8	S296 S319	S296-N317 WeakPolarHBondContact CB-OD1 3.41Å; S296-N317 PolarHBondContact O-N 2.98Å; N317-S319 PolarHBondContact O-N 2.8Å; N317-S319 VanDerWaalsContact O-N 3.09Å
318	G	86.6	Confident	86.7	Confident	48 Å²	48	35.9 Å²	35.9	50%	0.495	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	-6.6	178.1	0	0	0	0	0	116.1	K315 W316	K315-G318 WeakPolarHBondContact CD-O 3.22Å; W316-G318 PolarHBondContact O-N 3.34Å
319	S	85.4	Confident	86.8	Confident	64 Å²	64	38.7 Å²	38.7	45%	0.448	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.8	-40.7	-174.1	57.5	0	0	0	0	114.5	H126 W316 N317	H126-S319 PolarHBondContact CE1-OG 3.39Å; H126-S319 PolarHBondContact ND1-OG 3.48Å; W316-S319 PolarHBondContact O-N 3.28Å; N317-S319 PolarHBondContact O-N 2.8Å; N317-S319 VanDerWaalsContact O-N 3.09Å
320	V	88.2	Confident	85.9	Confident	42 Å²	42	44.7 Å²	44.7	26%	0.255	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	116.5	-170.6	-175.2	0	0	0	0	110.1	H126 K315 W316 V322	H126-V320 VanDerWaalsContact CE1-CG2 3.44Å; H126-V320 WeakPolarHBondContact CE1-CG2 3.42Å; H126-V320 VanDerWaalsContact NE2-CG2 3.33Å; H126-V320 WeakPolarHBondContact NE2-CG2 3.42Å; K315-V320 CarbonylContact C-O 3.53Å; K315-V320 VanDerWaalsContact CA-O 3.24Å; K315-V320 WeakPolarHBondContact CA-O 3.27Å; W316-V320 HydrophobicContact CB-CB 4.37Å; W316-V320 HydrophobicContact CE3-CB 3.96Å; W316-V320 HydrophobicContact CE3-CG2 3.72Å; W316-V320 HydrophobicContact CZ3-CG2 4.15Å; W316-V320 PolarHBondContact N-O 2.9Å; W316-V320 PolarHBondContact O-N 2.94Å; W316-V320 VanDerWaalsContact O-N 3.08Å; V320-V322 HydrophobicContact CG1-CG1 4.12Å
321	E	93.4	Very high	84.8	Confident	70 Å²	70	44.2 Å²	44.2	33%	0.327	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	129.2	174.5	-62.8	-170.8	137	0	0	111	L313 A314 K315 L372 R374	L313-E321 HydrophobicContact CD1-CB 4.3Å; A314-E321 WeakPolarHBondContact O-CA 3.42Å; K315-E321 HydrophobicContact CG-CG 4.41Å; E321-L372 HydrophobicContact CB-CD2 4.05Å; E321-R374 IonicContact OE2-CZ 2.99Å; E321-R374 VanDerWaalsContact OE2-CZ 3.29Å; E321-R374 IonicContact OE2-NH1 3.9Å; E321-R374 PolarHBondContact OE2-NH1 3.08Å; E321-R374 IonicContact OE2-NH2 3.99Å; E321-R374 PolarHBondContact OE2-NH2 3.42Å
322	V	94.8	Very high	84	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	160.6	-178	-62.5	0	0	0	0	110.7	F287 I297 A314 W316 V320 V324 L355 I369	F287-V322 HydrophobicContact CZ-CG1 4.29Å; I297-V322 HydrophobicContact CD1-CG2 4.33Å; A314-V322 HydrophobicContact CB-CG2 4.06Å; A314-V322 PolarHBondContact N-O 2.89Å; A314-V322 PolarHBondContact O-N 3.35Å; W316-V322 HydrophobicContact CB-CG1 4.43Å; V320-V322 HydrophobicContact CG1-CG1 4.12Å; V322-V324 HydrophobicContact CG2-CG2 4.08Å; V322-L355 HydrophobicContact CB-CD1 4.49Å; V322-L355 HydrophobicContact CG1-CD1 3.7Å; V322-I369 HydrophobicContact CB-CG2 3.77Å; V322-I369 HydrophobicContact CG1-CG2 4.12Å; V322-I369 HydrophobicContact CG2-CG2 3.76Å
323	A	94.7	Very high	83.3	Confident	10 Å²	10	46.4 Å²	46.4	8%	0.083	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	132	167.3	0	0	0	0	0	109.6	Y312 I369 T370 L372	Y312-A323 CarbonylContact O-C 3.5Å; Y312-A323 WeakPolarHBondContact O-CA 3.19Å; A323-I369 WeakPolarHBondContact O-CA 3.4Å; A323-T370 PolarHBondContact N-O 2.89Å; A323-T370 PolarHBondContact O-N 3.11Å; A323-L372 HydrophobicContact CB-CD1 4.28Å
324	V	93.7	Very high	82.5	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	113.1	-179.8	176.6	0	0	0	0	108.9	I297 V311 Y312 A314 V322 M326 Y367 I368 I369	I297-V324 HydrophobicContact CG2-CG2 3.81Å; V311-V324 CarbonylContact C-O 3.55Å; V311-V324 WeakPolarHBondContact CA-O 3.45Å; Y312-V324 PolarHBondContact N-O 3.05Å; Y312-V324 PolarHBondContact O-N 3.14Å; A314-V324 HydrophobicContact CB-CB 4.32Å; A314-V324 HydrophobicContact CB-CG2 3.51Å; V322-V324 HydrophobicContact CG2-CG2 4.08Å; V324-M326 HydrophobicContact CG1-CG 4.18Å; V324-Y367 HydrophobicContact CG1-CD1 4.08Å; V324-Y367 HydrophobicContact CG1-CD2 3.8Å; V324-Y367 HydrophobicContact CG1-CE2 4.32Å; V324-Y367 HydrophobicContact CG1-CG 3.65Å; V324-I368 WeakPolarHBondContact CA-O 3.29Å; V324-I369 HydrophobicContact CG2-CG1 4.35Å; V324-I369 HydrophobicContact CG2-CG2 4.48Å
325	K	89.4	Confident	81.5	Confident	19 Å²	19	55.3 Å²	55.3	8%	0.083	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	122.1	172.1	-172.5	177.6	-164.9	179.1	0	109	E310 V311 I368 D436 L439	E310-K325 WeakPolarHBondContact O-CA 3.41Å; V311-K325 HydrophobicContact CG2-CB 4.33Å; V311-K325 HydrophobicContact CG2-CG 4.1Å; K325-I368 HydrophobicContact CB-CB 4.27Å; K325-I368 HydrophobicContact CD-CD1 4.4Å; K325-I368 PolarHBondContact N-O 2.84Å; K325-I368 PolarHBondContact O-N 3.21Å; K325-D436 IonicContact NZ-OD1 2.77Å; K325-D436 PolarHBondContact NZ-OD1 2.87Å; K325-D436 IonicContact NZ-OD2 3.9Å; K325-D436 PolarHBondContact NZ-OD2 2.75Å; K325-L439 HydrophobicContact CD-CD1 4.39Å
326	M	83.2	Confident	80.8	Confident	7 Å²	7	51.8 Å²	51.8	3%	0.034	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	126.2	-178.9	-50.9	-171.3	-50.4	0	0	110	R299 G309 E310 Y312 V324 Y367	R299-M326 PolarHBondContact NH1-SD 2.73Å; G309-M326 WeakPolarHBondContact CA-O 3.4Å; E310-M326 HydrophobicContact CB-CE 4.16Å; E310-M326 PolarHBondContact N-O 3.24Å; E310-M326 PolarHBondContact O-N 2.93Å; E310-M326 WeakPolarHBondContact OE2-CE 3.49Å; Y312-M326 HydrophobicContact CD2-CE 3.89Å; Y312-M326 HydrophobicContact CD2-CG 4.41Å; Y312-M326 HydrophobicContact CD2-SD 4.16Å; Y312-M326 HydrophobicContact CE2-CE 3.26Å; Y312-M326 HydrophobicContact CE2-SD 4.08Å; V324-M326 HydrophobicContact CG1-CG 4.18Å; M326-Y367 HydrophobicContact CB-CD1 4.16Å; M326-Y367 HydrophobicContact CB-CE1 4.11Å; M326-Y367 HydrophobicContact CG-CD1 3.63Å; M326-Y367 HydrophobicContact CG-CE1 3.42Å; M326-Y367 VanDerWaalsContact CG-CE1 3.42Å; M326-Y367 HydrophobicContact SD-CD1 4.24Å; M326-Y367 HydrophobicContact SD-CE1 3.39Å; M326-Y367 WeakPolarHBondContact SD-CE1 3.37Å
327	R	73.5	Confident	80.3	Confident	32 Å²	32	52.3 Å²	52.3	12%	0.121	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	115.2	169.8	-78.2	-168.2	63	171.5	-2.3	110.3	T331 P365 V366	R327-T331 VanDerWaalsContact CZ-OG1 3.29Å; R327-T331 PolarHBondContact NE-OG1 2.85Å; R327-T331 PolarHBondContact NH2-OG1 2.74Å; R327-P365 WeakPolarHBondContact O-CA 3.45Å; R327-P365 WeakPolarHBondContact O-CB 3.03Å; R327-V366 HydrophobicContact CB-CG2 3.77Å; R327-V366 HydrophobicContact CG-CG2 4.31Å; R327-V366 PolarHBondContact N-O 2.89Å; R327-V366 VanDerWaalsContact N-O 3.09Å
328	L	59.6	Low	79.9	Confident	104 Å²	104	54.9 Å²	54.9	55%	0.545	30%	0.303	S	S	.	.			trans	-79.7	-24.7	-176.7	-63.9	171.4	0	0	0	113.4	P365	L328-P365 HydrophobicContact CD2-CG 4.16Å
329	D	65.7	Low	79.4	Confident	99 Å²	99	54.3 Å²	54.3	53%	0.529	29%	0.288	S	S	.	.	S	Bend	trans	-84.3	145.3	-176.6	-66.8	-29.3	0	0	0	112.2	T331	D329-T331 PolarHBondContact O-N 2.83Å; D329-T331 PolarHBondContact O-OG1 2.85Å
330	P	56.8	Low	79.3	Confident	135 Å²	135	51.4 Å²	51.4	88%	0.877	27%	0.268	S	S	*	.			trans	-56.7	107.8	174.9	22.1	-30.6	0	0	0	108.7
331	T	63.6	Low	79.1	Confident	26 Å²	26	56.3 Å²	56.3	16%	0.16	28%	0.282	C	S	.	.			trans	-98.2	139.3	-177	-46	0	0	0	0	107.5	R327 D329 R333 F336 I442	R327-T331 VanDerWaalsContact CZ-OG1 3.29Å; R327-T331 PolarHBondContact NE-OG1 2.85Å; R327-T331 PolarHBondContact NH2-OG1 2.74Å; D329-T331 PolarHBondContact O-N 2.83Å; D329-T331 PolarHBondContact O-OG1 2.85Å; T331-R333 VanDerWaalsContact C-N 3.28Å; T331-R333 PolarHBondContact O-N 2.99Å; T331-F336 HydrophobicContact CG2-CB 3.9Å; T331-F336 HydrophobicContact CG2-CG 4.47Å; T331-I442 HydrophobicContact CG2-CG2 4.5Å
332	D	73.6	Confident	78.5	Confident	83 Å²	83	57.5 Å²	57.5	44%	0.444	29%	0.29	S	S	.	.			trans	-60.8	99	160.9	-178.1	-13.1	0	0	0	108	S334 R335 F336	D332-S334 PolarHBondContact O-N 2.82Å; D332-S334 WeakPolarHBondContact OD1-CB 3.46Å; D332-S334 PolarHBondContact OD1-N 2.87Å; D332-S334 VanDerWaalsContact OD1-N 3.12Å; D332-S334 PolarHBondContact OD1-OG 3.4Å; D332-R335 HydrophobicContact CB-CB 4.3Å; D332-R335 PolarHBondContact O-N 3.25Å; D332-R335 PolarHBondContact OD1-N 3.27Å; D332-R335 WeakPolarHBondContact OD2-CD 3.31Å; D332-R335 WeakPolarHBondContact OD2-CG 3.45Å; D332-R335 IonicContact OD2-NE 3.04Å; D332-F336 WeakPolarHBondContact O-CB 3.49Å; D332-F336 PolarHBondContact O-N 3.1Å
333	R	79.4	Confident	77.9	Confident	42 Å²	42	58.1 Å²	58.1	16%	0.158	29%	0.293	C	S	.	.	H	α-helix	trans	-61.9	-33.6	-173.9	-70.7	-178.9	168.2	-149.5	-7.4	111.9	T331 F336 I337 T359 E360 P361 E362 Q364 V366	T331-R333 VanDerWaalsContact C-N 3.28Å; T331-R333 PolarHBondContact O-N 2.99Å; R333-F336 PolarHBondContact O-N 3.06Å; R333-I337 WeakPolarHBondContact O-CB 3.46Å; R333-I337 VanDerWaalsContact O-CG1 3.23Å; R333-I337 WeakPolarHBondContact O-CG1 3.46Å; R333-I337 PolarHBondContact O-N 3.33Å; R333-T359 PolarHBondContact NH1-O 3.09Å; R333-T359 PolarHBondContact NH2-O 3.25Å; R333-E360 IonicContact NH1-OE1 3.82Å; R333-E360 PolarHBondContact NH1-OE1 3.01Å; R333-E360 VanDerWaalsContact NH1-OE1 3.17Å; R333-E360 IonicContact NH1-OE2 3.64Å; R333-P361 PolarHBondContact NH2-O 3.02Å; R333-E362 VanDerWaalsContact NH2-C 3.34Å; R333-E362 PolarHBondContact NH2-O 3.4Å; R333-E362 VanDerWaalsContact NH2-O 3.11Å; R333-Q364 PolarHBondContact NH2-O 3.42Å; R333-V366 HydrophobicContact CG-CG1 4.31Å
334	S	79.9	Confident	77.4	Confident	79 Å²	79	59.2 Å²	59.2	55%	0.552	30%	0.296	S	S	*	.	H	α-helix	trans	-64.5	-48.6	-179	70.2	0	0	0	0	110.8	D332 I337 E338	D332-S334 PolarHBondContact O-N 2.82Å; D332-S334 WeakPolarHBondContact OD1-CB 3.46Å; D332-S334 PolarHBondContact OD1-N 2.87Å; D332-S334 VanDerWaalsContact OD1-N 3.12Å; D332-S334 PolarHBondContact OD1-OG 3.4Å; S334-I337 PolarHBondContact O-N 2.75Å; S334-E338 PolarHBondContact O-N 2.81Å; S334-E338 VanDerWaalsContact O-N 3.1Å
335	R	74.7	Confident	76.9	Confident	130 Å²	130	62 Å²	62	49%	0.491	32%	0.319	S	S	.	.	H	α-helix	trans	-64.9	-39.1	174	-74.2	-178.7	164.8	-167.7	-6.1	112.6	D332 E338 E339 D445	D332-R335 HydrophobicContact CB-CB 4.3Å; D332-R335 PolarHBondContact O-N 3.25Å; D332-R335 PolarHBondContact OD1-N 3.27Å; D332-R335 WeakPolarHBondContact OD2-CD 3.31Å; D332-R335 WeakPolarHBondContact OD2-CG 3.45Å; D332-R335 IonicContact OD2-NE 3.04Å; R335-E338 PolarHBondContact O-N 2.86Å; R335-E339 PolarHBondContact O-N 3.16Å; R335-E339 VanDerWaalsContact O-N 3.08Å; R335-D445 IonicContact CZ-OD2 3.7Å; R335-D445 IonicContact NH1-OD2 2.66Å; R335-D445 PolarHBondContact NH1-OD2 3.17Å; R335-D445 IonicContact NH2-OD2 3.9Å
336	F	79.3	Confident	76.8	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-60	-46.9	175.5	170.4	-96.9	0	0	0	111.9	T331 D332 R333 E338 E339 A340 V357 T359 V366 I368 I442	T331-F336 HydrophobicContact CG2-CB 3.9Å; T331-F336 HydrophobicContact CG2-CG 4.47Å; D332-F336 WeakPolarHBondContact O-CB 3.49Å; D332-F336 PolarHBondContact O-N 3.1Å; R333-F336 PolarHBondContact O-N 3.06Å; F336-E338 VanDerWaalsContact C-N 3.33Å; F336-E338 PolarHBondContact O-N 2.89Å; F336-E339 PolarHBondContact O-N 3.41Å; F336-A340 WeakPolarHBondContact O-CB 3.48Å; F336-A340 PolarHBondContact O-N 3.38Å; F336-V357 HydrophobicContact CE1-CB 4.17Å; F336-V357 HydrophobicContact CE1-CG1 4.05Å; F336-V357 HydrophobicContact CZ-CG1 4.06Å; F336-T359 HydrophobicContact CD1-CG2 4.47Å; F336-T359 HydrophobicContact CE1-CG2 4.39Å; F336-V366 HydrophobicContact CD1-CB 4.43Å; F336-V366 HydrophobicContact CD1-CG1 4.44Å; F336-V366 HydrophobicContact CD1-CG2 4.29Å; F336-V366 HydrophobicContact CD2-CG2 4.31Å; F336-V366 HydrophobicContact CE1-CB 4.02Å; F336-V366 HydrophobicContact CE1-CG1 4.45Å; F336-V366 HydrophobicContact CE1-CG2 4Å; F336-V366 HydrophobicContact CE2-CG2 4.02Å; F336-V366 HydrophobicContact CG-CG2 4.43Å; F336-V366 HydrophobicContact CZ-CB 4.24Å; F336-V366 HydrophobicContact CZ-CG2 3.85Å; F336-I368 HydrophobicContact CE2-CD1 3.89Å; F336-I368 HydrophobicContact CE2-CG1 3.65Å; F336-I368 HydrophobicContact CZ-CD1 4.3Å; F336-I368 HydrophobicContact CZ-CG1 3.54Å; F336-I442 HydrophobicContact CD2-CD1 4.27Å
337	I	82.6	Confident	76.9	Confident	29 Å²	29	65.1 Å²	65.1	15%	0.149	33%	0.334	C	S	.	.	H	α-helix	trans	-61.2	-42.9	178	-72.7	165.6	0	0	0	110.6	F290 R333 S334 A340 R341 T359	F290-I337 HydrophobicContact CE1-CG2 4.21Å; R333-I337 WeakPolarHBondContact O-CB 3.46Å; R333-I337 VanDerWaalsContact O-CG1 3.23Å; R333-I337 WeakPolarHBondContact O-CG1 3.46Å; R333-I337 PolarHBondContact O-N 3.33Å; S334-I337 PolarHBondContact O-N 2.75Å; I337-A340 PolarHBondContact O-N 2.92Å; I337-R341 HydrophobicContact CG2-CG 4.48Å; I337-R341 WeakPolarHBondContact O-CB 3.35Å; I337-R341 VanDerWaalsContact O-CG 3.27Å; I337-R341 WeakPolarHBondContact O-CG 3.35Å; I337-R341 PolarHBondContact O-N 3.29Å; I337-T359 HydrophobicContact CD1-CG2 3.77Å; I337-T359 HydrophobicContact CG1-CG2 3.64Å
338	E	80	Confident	77.6	Confident	133 Å²	133	64.2 Å²	64.2	62%	0.621	33%	0.331	S	S	*	.	H	α-helix	trans	-62.2	-48.5	-179.8	-170.2	173.5	-166.7	0	0	112.1	S334 R335 F336 R341 L342	S334-E338 PolarHBondContact O-N 2.81Å; S334-E338 VanDerWaalsContact O-N 3.1Å; R335-E338 PolarHBondContact O-N 2.86Å; F336-E338 VanDerWaalsContact C-N 3.33Å; F336-E338 PolarHBondContact O-N 2.89Å; E338-R341 WeakPolarHBondContact O-CB 3.36Å; E338-R341 PolarHBondContact O-N 2.88Å; E338-L342 PolarHBondContact O-N 2.99Å
339	E	75.8	Confident	79.1	Confident	36 Å²	36	62.7 Å²	62.7	17%	0.168	33%	0.327	C	S	.	.	H	α-helix	trans	-69.9	-36.7	178.6	-70.4	-84.4	-175.6	0	0	111.4	R335 F336 R341 L342 M343 K441 I442	R335-E339 PolarHBondContact O-N 3.16Å; R335-E339 VanDerWaalsContact O-N 3.08Å; F336-E339 PolarHBondContact O-N 3.41Å; E339-R341 VanDerWaalsContact C-N 3.31Å; E339-R341 PolarHBondContact O-N 2.87Å; E339-L342 WeakPolarHBondContact O-CB 3.21Å; E339-L342 PolarHBondContact O-N 3.08Å; E339-M343 WeakPolarHBondContact O-CG 3.24Å; E339-M343 PolarHBondContact O-N 3.05Å; E339-K441 IonicContact OE1-NZ 3.8Å; E339-K441 PolarHBondContact OE1-NZ 3.26Å; E339-K441 IonicContact OE2-NZ 3.01Å; E339-I442 HydrophobicContact CB-CD1 3.46Å; E339-I442 VanDerWaalsContact CB-CD1 3.46Å; E339-I442 HydrophobicContact CB-CG1 3.64Å; E339-I442 HydrophobicContact CG-CD1 4.26Å; E339-I442 HydrophobicContact CG-CG1 3.85Å
340	A	83.7	Confident	80.4	Confident	3 Å²	3	59.1 Å²	59.1	3%	0.025	31%	0.306	C	S	.	.	H	α-helix	trans	-65.6	-32.1	173.9	0	0	0	0	0	112.4	F290 F336 I337 M343 H344 L354 V357	F290-A340 HydrophobicContact CE2-CB 4.4Å; F290-A340 HydrophobicContact CZ-CB 3.7Å; F336-A340 WeakPolarHBondContact O-CB 3.48Å; F336-A340 PolarHBondContact O-N 3.38Å; I337-A340 PolarHBondContact O-N 2.92Å; A340-M343 PolarHBondContact O-N 3.46Å; A340-H344 WeakPolarHBondContact O-CB 3.26Å; A340-H344 PolarHBondContact O-N 3.36Å; A340-L354 HydrophobicContact CB-CD2 4.16Å; A340-L354 WeakPolarHBondContact O-CD2 3.48Å; A340-V357 HydrophobicContact CB-CG1 3.98Å
341	R	84.3	Confident	82.2	Confident	145 Å²	145	52.8 Å²	52.8	55%	0.547	27%	0.265	S	S	.	.	H	α-helix	trans	-65.8	-39	172.8	-77.9	175.4	-176.3	178.2	4.7	112.3	F290 I337 E338 E339 M343 H344 A345	F290-R341 HydrophobicContact CD1-CG 4.04Å; F290-R341 HydrophobicContact CE1-CG 3.65Å; F290-R341 HydrophobicContact CE2-CG 4.35Å; F290-R341 HydrophobicContact CZ-CG 3.81Å; I337-R341 HydrophobicContact CG2-CG 4.48Å; I337-R341 WeakPolarHBondContact O-CB 3.35Å; I337-R341 VanDerWaalsContact O-CG 3.27Å; I337-R341 WeakPolarHBondContact O-CG 3.35Å; I337-R341 PolarHBondContact O-N 3.29Å; E338-R341 WeakPolarHBondContact O-CB 3.36Å; E338-R341 PolarHBondContact O-N 2.88Å; E339-R341 VanDerWaalsContact C-N 3.31Å; E339-R341 PolarHBondContact O-N 2.87Å; R341-M343 VanDerWaalsContact C-N 3.34Å; R341-H344 PolarHBondContact O-N 3.29Å; R341-A345 PolarHBondContact O-N 3.23Å
342	L	80.8	Confident	83.6	Confident	95 Å²	95	51.9 Å²	51.9	50%	0.497	26%	0.259	S	S	.	.	H	α-helix	trans	-61.8	-45.8	171.9	-69.3	171.4	0	0	0	110.4	E338 E339 H344 A345 F346	E338-L342 PolarHBondContact O-N 2.99Å; E339-L342 WeakPolarHBondContact O-CB 3.21Å; E339-L342 PolarHBondContact O-N 3.08Å; L342-H344 VanDerWaalsContact C-N 3.29Å; L342-H344 PolarHBondContact O-N 3.31Å; L342-A345 PolarHBondContact O-N 2.92Å; L342-F346 WeakPolarHBondContact O-CD2 3.4Å; L342-F346 WeakPolarHBondContact O-CE2 3.31Å
343	M	82.2	Confident	84.4	Confident	13 Å²	13	48.7 Å²	48.7	6%	0.064	24%	0.242	C	C	.	.	H	α-helix	trans	-61.1	-36.7	177	-67	-178.9	67.2	0	0	113.1	E339 A340 R341 A345 F346 L354 F437 L439	E339-M343 WeakPolarHBondContact O-CG 3.24Å; E339-M343 PolarHBondContact O-N 3.05Å; A340-M343 PolarHBondContact O-N 3.46Å; R341-M343 VanDerWaalsContact C-N 3.34Å; M343-A345 VanDerWaalsContact C-N 3.29Å; M343-A345 PolarHBondContact O-N 3.32Å; M343-F346 PolarHBondContact O-N 2.96Å; M343-L354 HydrophobicContact CB-CD2 3.84Å; M343-F437 HydrophobicContact CB-CE2 3.99Å; M343-F437 HydrophobicContact CB-CZ 4.44Å; M343-F437 HydrophobicContact CE-CD2 4.25Å; M343-F437 HydrophobicContact CE-CE1 4.39Å; M343-F437 HydrophobicContact CE-CE2 3.86Å; M343-F437 HydrophobicContact CE-CZ 3.96Å; M343-F437 WeakPolarHBondContact CE-O 3.01Å; M343-F437 HydrophobicContact CG-CD2 4.26Å; M343-F437 HydrophobicContact CG-CE2 3.73Å; M343-L439 HydrophobicContact CE-CD2 4.22Å; M343-L439 HydrophobicContact CE-CG 4.14Å; M343-L439 HydrophobicContact SD-CD2 3.74Å; M343-L439 HydrophobicContact SD-CG 4.13Å
344	H	84.5	Confident	85	Confident	33 Å²	33	46.8 Å²	46.8	15%	0.153	24%	0.235	C	C	.	.	H	α-helix	trans	-68.2	-27.8	179.2	-172.6	-93.9	0	0	0	113.3	Q286 F290 A340 R341 L342 F346 L354	Q286-H344 PolarHBondContact NE2-O 2.88Å; F290-H344 HydrophobicContact CD2-CB 3.92Å; F290-H344 AromaticContact CD2-CD2 3.67Å; F290-H344 AromaticContact CD2-CG 3.65Å; F290-H344 HydrophobicContact CE2-CB 3.72Å; F290-H344 AromaticContact CE2-CG 3.96Å; A340-H344 WeakPolarHBondContact O-CB 3.26Å; A340-H344 PolarHBondContact O-N 3.36Å; R341-H344 PolarHBondContact O-N 3.29Å; L342-H344 VanDerWaalsContact C-N 3.29Å; L342-H344 PolarHBondContact O-N 3.31Å; H344-F346 VanDerWaalsContact C-N 3.27Å; H344-F346 PolarHBondContact O-N 3.36Å; H344-L354 HydrophobicContact CB-CD2 4.04Å; H344-L354 PolarHBondContact CD2-O 2.97Å
345	A	83.7	Confident	85.5	Confident	58 Å²	58	43.3 Å²	43.3	48%	0.479	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-8	178.7	0	0	0	0	0	113.6	R341 L342 M343 H347	R341-A345 PolarHBondContact O-N 3.23Å; L342-A345 PolarHBondContact O-N 2.92Å; M343-A345 VanDerWaalsContact C-N 3.29Å; M343-A345 PolarHBondContact O-N 3.32Å; A345-H347 PolarHBondContact O-ND1 3.31Å
346	F	85.9	Confident	86.3	Confident	19 Å²	19	37.1 Å²	37.1	8%	0.083	19%	0.186	C	C	.	.			trans	-82.3	127.2	174.9	-66.2	-51.3	0	0	0	111	L342 M343 H344 Q353 Y408 M412 F437	L342-F346 WeakPolarHBondContact O-CD2 3.4Å; L342-F346 WeakPolarHBondContact O-CE2 3.31Å; M343-F346 PolarHBondContact O-N 2.96Å; H344-F346 VanDerWaalsContact C-N 3.27Å; H344-F346 PolarHBondContact O-N 3.36Å; F346-Q353 PolarHBondContact O-NE2 3.06Å; F346-Q353 PolarHBondContact O-OE1 3.47Å; F346-Y408 WeakPolarHBondContact CA-OH 3.39Å; F346-Y408 HydrophobicContact CB-CE1 3.94Å; F346-Y408 AromaticContact CD1-CE1 3.77Å; F346-Y408 HydrophobicContact CD1-CE1 3.77Å; F346-Y408 HydrophobicContact CG-CE1 4.17Å; F346-M412 HydrophobicContact CD1-CB 4.33Å; F346-M412 HydrophobicContact CD1-CE 4.28Å; F346-M412 HydrophobicContact CD1-CG 4.07Å; F346-M412 HydrophobicContact CE1-CB 3.66Å; F346-M412 HydrophobicContact CE1-CE 4.05Å; F346-M412 HydrophobicContact CE1-CG 3.9Å; F346-F437 HydrophobicContact CD2-CD2 4.17Å; F346-F437 AromaticContact CD2-CE2 3.39Å; F346-F437 HydrophobicContact CD2-CE2 3.39Å; F346-F437 HydrophobicContact CD2-CZ 4.09Å; F346-F437 HydrophobicContact CE2-CD2 4.21Å; F346-F437 AromaticContact CE2-CE2 3.82Å; F346-F437 HydrophobicContact CE2-CE2 3.82Å; F346-F437 HydrophobicContact CG-CE2 4.41Å
347	H	85.1	Confident	86.9	Confident	74 Å²	74	37.1 Å²	37.1	34%	0.343	19%	0.186	S	C	.	.			trans	-131	102.6	178.3	-62.8	91.8	0	0	0	109.5	Q286 A345 Q353 Y408	Q286-H347 PolarHBondContact NE2-NE2 3.24Å; Q286-H347 PolarHBondContact OE1-NE2 3.15Å; A345-H347 PolarHBondContact O-ND1 3.31Å; H347-Q353 PolarHBondContact CD2-OE1 3.38Å; H347-Y408 PolarHBondContact N-OH 2.86Å; H347-Y408 VanDerWaalsContact N-OH 3.1Å
348	H	89.4	Confident	87.3	Confident	12 Å²	12	35.8 Å²	35.8	6%	0.056	18%	0.18	C	C	.	.			trans	-153	138.3	177.2	-175.9	-103.4	0	0	0	111.1	M85 R350 I351 S404 Y408	M85-H348 WeakPolarHBondContact CE-CD2 3.22Å; M85-H348 PolarHBondContact SD-CD2 2.73Å; M85-H348 PolarHBondContact SD-NE2 2.78Å; H348-R350 VanDerWaalsContact CE1-CB 3.47Å; H348-R350 WeakPolarHBondContact CE1-CB 3.43Å; H348-R350 WeakPolarHBondContact ND1-CB 3.42Å; H348-R350 PolarHBondContact ND1-N 2.83Å; H348-R350 PolarHBondContact O-N 3.44Å; H348-I351 HydrophobicContact CB-CB 4.07Å; H348-I351 HydrophobicContact CB-CG1 3.77Å; H348-I351 PolarHBondContact O-N 3.13Å; H348-I351 VanDerWaalsContact O-O 3.13Å; H348-S404 PolarHBondContact CE1-OG 2.9Å; H348-S404 VanDerWaalsContact CE1-OG 3.29Å; H348-Y408 HydrophobicContact CB-CD1 3.55Å; H348-Y408 HydrophobicContact CB-CD2 4.43Å; H348-Y408 HydrophobicContact CB-CE1 3.78Å; H348-Y408 HydrophobicContact CB-CG 3.86Å; H348-Y408 AromaticContact CG-CD1 3.98Å; H348-Y408 AromaticContact CG-CG 3.88Å
349	P	89.5	Confident	87.7	Confident	73 Å²	73	29.7 Å²	29.7	47%	0.474	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-14	-180	22.9	-36.9	0	0	0	115.4	K433	P349-K433 VanDerWaalsContact O-CE 3.26Å; P349-K433 WeakPolarHBondContact O-CE 3.43Å
350	R	94.9	Very high	88.3	Confident	23 Å²	23	32.9 Å²	32.9	9%	0.087	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	12.8	178.2	-50.5	-65.1	174.1	-127.5	7.5	114	E188 H348 Q401 V432 K433 V434	E188-R350 IonicContact OE1-NH2 3.72Å; E188-R350 PolarHBondContact OE1-NH2 2.83Å; E188-R350 IonicContact OE2-NH2 2.74Å; E188-R350 PolarHBondContact OE2-NH2 2.99Å; H348-R350 VanDerWaalsContact CE1-CB 3.47Å; H348-R350 WeakPolarHBondContact CE1-CB 3.43Å; H348-R350 WeakPolarHBondContact ND1-CB 3.42Å; H348-R350 PolarHBondContact ND1-N 2.83Å; H348-R350 PolarHBondContact O-N 3.44Å; R350-Q401 VanDerWaalsContact CB-O 3.29Å; R350-Q401 WeakPolarHBondContact CB-O 3.28Å; R350-Q401 VanDerWaalsContact CG-O 3.28Å; R350-Q401 WeakPolarHBondContact CG-O 3.29Å; R350-Q401 VanDerWaalsContact CZ-OE1 3.26Å; R350-V432 WeakPolarHBondContact CD-O 3.27Å; R350-K433 CarbonylContact O-C 3.14Å; R350-K433 WeakPolarHBondContact O-CA 3.39Å; R350-V434 PolarHBondContact O-N 2.95Å
351	I	93.3	Very high	88.5	Confident	3 Å²	3	35.1 Å²	35.1	2%	0.015	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-116.9	133.9	171.5	-61.2	-56.2	0	0	0	107.6	H348 Q353 G405 Y408 L409 V434 F437	H348-I351 HydrophobicContact CB-CB 4.07Å; H348-I351 HydrophobicContact CB-CG1 3.77Å; H348-I351 PolarHBondContact O-N 3.13Å; H348-I351 VanDerWaalsContact O-O 3.13Å; I351-Q353 PolarHBondContact O-N 3.5Å; I351-G405 WeakPolarHBondContact CD1-O 3.4Å; I351-Y408 HydrophobicContact CG1-CD1 3.87Å; I351-Y408 HydrophobicContact CG1-CE1 4.42Å; I351-L409 HydrophobicContact CD1-CD1 4.07Å; I351-L409 HydrophobicContact CD1-CD2 4.17Å; I351-L409 HydrophobicContact CD1-CG 3.92Å; I351-V434 HydrophobicContact CD1-CB 3.76Å; I351-V434 HydrophobicContact CD1-CG1 4.44Å; I351-V434 HydrophobicContact CD1-CG2 4.18Å; I351-F437 HydrophobicContact CG2-CD1 3.96Å; I351-F437 HydrophobicContact CG2-CE1 3.16Å; I351-F437 HydrophobicContact CG2-CE2 4.44Å; I351-F437 HydrophobicContact CG2-CZ 3.45Å; I351-F437 VanDerWaalsContact CG2-CZ 3.45Å
352	V	93.2	Very high	88.5	Confident	7 Å²	7	35.8 Å²	35.8	4%	0.042	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-64.9	121	176.1	172.2	0	0	0	0	109	L354 T370 E371 M373 L425 K433 V434	V352-L354 PolarHBondContact O-N 3.46Å; V352-T370 HydrophobicContact CG1-CG2 4.05Å; V352-E371 HydrophobicContact CG1-CG 4.07Å; V352-M373 HydrophobicContact CG2-CG 4.39Å; V352-L425 HydrophobicContact CG2-CB 4.42Å; V352-L425 HydrophobicContact CG2-CD1 4Å; V352-L425 HydrophobicContact CG2-CG 4.4Å; V352-K433 HydrophobicContact CG2-CB 3.57Å; V352-K433 HydrophobicContact CG2-CD 4.45Å; V352-V434 WeakPolarHBondContact CG2-O 3.43Å; V352-V434 PolarHBondContact N-O 3.25Å
353	Q	90.8	Very high	88.7	Confident	16 Å²	16	37.8 Å²	37.8	8%	0.075	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-72.9	120.3	-178.1	-171.2	63.8	71.3	0	0	110.7	P284 Q286 F346 H347 I351 L355 T370 E371	P284-Q353 HydrophobicContact CG-CB 3.94Å; P284-Q353 HydrophobicContact CG-CG 4.29Å; Q286-Q353 HydrophobicContact CG-CG 4.18Å; F346-Q353 PolarHBondContact O-NE2 3.06Å; F346-Q353 PolarHBondContact O-OE1 3.47Å; H347-Q353 PolarHBondContact CD2-OE1 3.38Å; I351-Q353 PolarHBondContact O-N 3.5Å; Q353-L355 HydrophobicContact CB-CD2 4.33Å; Q353-L355 HydrophobicContact CG-CD2 3.89Å; Q353-L355 PolarHBondContact O-N 3.24Å; Q353-T370 VanDerWaalsContact O-CA 3.29Å; Q353-T370 WeakPolarHBondContact O-CA 3.43Å; Q353-T370 WeakPolarHBondContact O-CB 3.17Å; Q353-E371 HydrophobicContact CB-CG 4.42Å; Q353-E371 WeakPolarHBondContact CB-OE1 3.19Å; Q353-E371 PolarHBondContact N-OE1 2.87Å; Q353-E371 PolarHBondContact O-N 3.24Å; Q353-E371 VanDerWaalsContact O-N 3.14Å
354	L	91	Very high	88.9	Confident	2 Å²	2	41 Å²	41	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	122.4	161	-176.9	67	0	0	0	108.6	F290 A340 M343 H344 V352 V357 I368 I369 T370	F290-L354 HydrophobicContact CE2-CD2 4.21Å; A340-L354 HydrophobicContact CB-CD2 4.16Å; A340-L354 WeakPolarHBondContact O-CD2 3.48Å; M343-L354 HydrophobicContact CB-CD2 3.84Å; H344-L354 HydrophobicContact CB-CD2 4.04Å; H344-L354 PolarHBondContact CD2-O 2.97Å; V352-L354 PolarHBondContact O-N 3.46Å; L354-V357 HydrophobicContact CD1-CG1 4.47Å; L354-I368 HydrophobicContact CD1-CG2 3.4Å; L354-I369 WeakPolarHBondContact CD1-O 3.45Å; L354-T370 HydrophobicContact CD1-CG2 4.22Å
355	L	91.3	Very high	89	Confident	5 Å²	5	41.4 Å²	41.4	3%	0.026	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-31.9	-179.3	-53.3	-179.9	0	0	0	112	P284 F287 V322 Q353 I369	P284-L355 HydrophobicContact CB-CD2 3.86Å; F287-L355 WeakPolarHBondContact CB-O 3.49Å; F287-L355 HydrophobicContact CD1-CB 4.48Å; F287-L355 VanDerWaalsContact CD2-C 3.47Å; F287-L355 HydrophobicContact CD2-CB 3.98Å; F287-L355 WeakPolarHBondContact CD2-O 3.23Å; F287-L355 HydrophobicContact CE1-CB 4.16Å; F287-L355 HydrophobicContact CE1-CD1 4.35Å; F287-L355 HydrophobicContact CE2-CB 3.61Å; F287-L355 HydrophobicContact CG-CB 4.39Å; F287-L355 WeakPolarHBondContact CG-O 3.35Å; F287-L355 HydrophobicContact CZ-CB 3.72Å; F287-L355 HydrophobicContact CZ-CD1 4.08Å; F287-L355 PolarHBondContact N-O 3.48Å; V322-L355 HydrophobicContact CB-CD1 4.49Å; V322-L355 HydrophobicContact CG1-CD1 3.7Å; Q353-L355 HydrophobicContact CB-CD2 4.33Å; Q353-L355 HydrophobicContact CG-CD2 3.89Å; Q353-L355 PolarHBondContact O-N 3.24Å; L355-I369 WeakPolarHBondContact CB-O 3.25Å; L355-I369 PolarHBondContact N-O 2.99Å
356	G	91.4	Very high	89.1	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.3	-173.3	176.8	0	0	0	0	0	112.1	F290 I369	F290-G356 CarbonylContact O-C 3.55Å; F290-G356 VanDerWaalsContact O-CA 3.22Å; F290-G356 WeakPolarHBondContact O-CA 3.5Å; G356-I369 PolarHBondContact N-O 3.35Å; G356-I369 WeakPolarHBondContact O-CB 3.4Å; G356-I369 PolarHBondContact O-N 3.19Å
357	V	91.7	Very high	89.4	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	156.4	-179.8	-60.6	0	0	0	0	111.8	F290 E291 I292 F336 A340 L354 T359 Y367	F290-V357 HydrophobicContact CD1-CG2 4.23Å; F290-V357 HydrophobicContact CE1-CG2 3.65Å; F290-V357 HydrophobicContact CE2-CG1 4.33Å; F290-V357 HydrophobicContact CE2-CG2 4.38Å; F290-V357 HydrophobicContact CZ-CG1 4.04Å; F290-V357 HydrophobicContact CZ-CG2 3.75Å; F290-V357 PolarHBondContact O-N 2.88Å; E291-V357 WeakPolarHBondContact CA-O 3.22Å; E291-V357 HydrophobicContact CG-CG2 3.86Å; I292-V357 PolarHBondContact N-O 2.81Å; F336-V357 HydrophobicContact CE1-CB 4.17Å; F336-V357 HydrophobicContact CE1-CG1 4.05Å; F336-V357 HydrophobicContact CZ-CG1 4.06Å; A340-V357 HydrophobicContact CB-CG1 3.98Å; L354-V357 HydrophobicContact CD1-CG1 4.47Å; V357-T359 HydrophobicContact CG2-CG2 4.08Å; V357-Y367 CarbonylContact C-O 3.57Å; V357-Y367 WeakPolarHBondContact CA-O 3.48Å; V357-Y367 WeakPolarHBondContact CB-O 3.33Å
358	C	91.9	Very high	89.6	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.007	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	115.1	162.4	-53.2	0	0	0	0	108.8	I292 R294 V366 Y367	I292-C358 VanDerWaalsContact CG1-SG 3.59Å; I292-C358 PolarHBondContact O-SG 3.13Å; I292-C358 VanDerWaalsContact O-SG 3.39Å; R294-C358 HydrophobicContact CB-CB 4.25Å; C358-V366 CarbonylContact O-C 3.47Å; C358-V366 VanDerWaalsContact O-CA 3.27Å; C358-V366 WeakPolarHBondContact O-CA 3.41Å; C358-Y367 HydrophobicContact CB-CD2 4.12Å; C358-Y367 HydrophobicContact CB-CG 4.18Å; C358-Y367 PolarHBondContact N-O 2.86Å; C358-Y367 PolarHBondContact O-N 3.13Å
359	T	88.2	Confident	89.7	Confident	5 Å²	5	35 Å²	35	3%	0.031	18%	0.182	C	C	.	.			trans	-95.8	-49.9	178.6	47.9	0	0	0	0	108.9	E291 R333 F336 I337 V357	E291-T359 PolarHBondContact OE2-OG1 2.91Å; R333-T359 PolarHBondContact NH1-O 3.09Å; R333-T359 PolarHBondContact NH2-O 3.25Å; F336-T359 HydrophobicContact CD1-CG2 4.47Å; F336-T359 HydrophobicContact CE1-CG2 4.39Å; I337-T359 HydrophobicContact CD1-CG2 3.77Å; I337-T359 HydrophobicContact CG1-CG2 3.64Å; V357-T359 HydrophobicContact CG2-CG2 4.08Å
360	E	88	Confident	89.9	Confident	104 Å²	104	32.8 Å²	32.8	49%	0.486	17%	0.168	S	C	.	.			trans	-78.4	157.8	-177.5	-65.1	-54	128.7	0	0	115.4	R294 R333 E362	R294-E360 PolarHBondContact NE-O 2.83Å; R294-E360 PolarHBondContact NH2-O 3.49Å; R333-E360 IonicContact NH1-OE1 3.82Å; R333-E360 PolarHBondContact NH1-OE1 3.01Å; R333-E360 VanDerWaalsContact NH1-OE1 3.17Å; R333-E360 IonicContact NH1-OE2 3.64Å; E360-E362 PolarHBondContact OE2-N 2.82Å
361	P	88.6	Confident	89.8	Confident	49 Å²	49	32.2 Å²	32.2	32%	0.318	17%	0.166	S	C	.	.	S	Bend	cis	-73.8	160.8	-11	32	-35.8	0	0	0	113.2	R333 D363 Q364	R333-P361 PolarHBondContact NH2-O 3.02Å; P361-D363 VanDerWaalsContact CB-OD1 3.29Å; P361-D363 WeakPolarHBondContact CB-OD1 3.23Å; P361-D363 WeakPolarHBondContact CG-OD1 3.15Å; P361-D363 PolarHBondContact O-N 3.3Å; P361-Q364 HydrophobicContact CG-CB 4.15Å; P361-Q364 HydrophobicContact CG-CG 3.84Å; P361-Q364 PolarHBondContact O-N 2.79Å
362	E	83	Confident	89.8	Confident	160 Å²	160	33.2 Å²	33.2	75%	0.748	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.1	-34.1	179.2	-84.4	-169.7	177	0	0	116.8	R333 E360 Q364	R333-E362 VanDerWaalsContact NH2-C 3.34Å; R333-E362 PolarHBondContact NH2-O 3.4Å; R333-E362 VanDerWaalsContact NH2-O 3.11Å; E360-E362 PolarHBondContact OE2-N 2.82Å; E362-Q364 VanDerWaalsContact C-N 3.26Å; E362-Q364 PolarHBondContact O-N 2.68Å
363	D	85.3	Confident	89.9	Confident	137 Å²	137	33.5 Å²	33.5	73%	0.733	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-0.2	-179.3	66.1	-32.7	0	0	0	114	P361	P361-D363 VanDerWaalsContact CB-OD1 3.29Å; P361-D363 WeakPolarHBondContact CB-OD1 3.23Å; P361-D363 WeakPolarHBondContact CG-OD1 3.15Å; P361-D363 PolarHBondContact O-N 3.3Å
364	Q	86.9	Confident	90	Very high	79 Å²	79	39.3 Å²	39.3	37%	0.369	19%	0.193	S	C	.	.	S	Bend	trans	-115.2	151.4	-177.8	-69.3	-169.6	29.1	0	0	115	R333 P361 E362	R333-Q364 PolarHBondContact NH2-O 3.42Å; P361-Q364 HydrophobicContact CG-CB 4.15Å; P361-Q364 HydrophobicContact CG-CG 3.84Å; P361-Q364 PolarHBondContact O-N 2.79Å; E362-Q364 VanDerWaalsContact C-N 3.26Å; E362-Q364 PolarHBondContact O-N 2.68Å
365	P	85.4	Confident	90.1	Very high	43 Å²	43	41.1 Å²	41.1	28%	0.279	20%	0.201	S	C	.	.			trans	-54.2	132.2	173	-32.5	39.8	0	0	0	113.7	R294 R327 L328	R294-P365 PolarHBondContact NH1-O 3.3Å; R294-P365 PolarHBondContact NH2-O 3.05Å; R327-P365 WeakPolarHBondContact O-CA 3.45Å; R327-P365 WeakPolarHBondContact O-CB 3.03Å; L328-P365 HydrophobicContact CD2-CG 4.16Å
366	V	86.9	Confident	90.3	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.024	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	143.2	175.2	-59.1	0	0	0	0	111.4	R327 R333 F336 C358	R327-V366 HydrophobicContact CB-CG2 3.77Å; R327-V366 HydrophobicContact CG-CG2 4.31Å; R327-V366 PolarHBondContact N-O 2.89Å; R327-V366 VanDerWaalsContact N-O 3.09Å; R333-V366 HydrophobicContact CG-CG1 4.31Å; F336-V366 HydrophobicContact CD1-CB 4.43Å; F336-V366 HydrophobicContact CD1-CG1 4.44Å; F336-V366 HydrophobicContact CD1-CG2 4.29Å; F336-V366 HydrophobicContact CD2-CG2 4.31Å; F336-V366 HydrophobicContact CE1-CB 4.02Å; F336-V366 HydrophobicContact CE1-CG1 4.45Å; F336-V366 HydrophobicContact CE1-CG2 4Å; F336-V366 HydrophobicContact CE2-CG2 4.02Å; F336-V366 HydrophobicContact CG-CG2 4.43Å; F336-V366 HydrophobicContact CZ-CB 4.24Å; F336-V366 HydrophobicContact CZ-CG2 3.85Å; C358-V366 CarbonylContact O-C 3.47Å; C358-V366 VanDerWaalsContact O-CA 3.27Å; C358-V366 WeakPolarHBondContact O-CA 3.41Å
367	Y	90.7	Very high	90.4	Very high	16 Å²	16	43 Å²	43	6%	0.063	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	131	174.6	-66.3	-6.7	0	0	0	110.4	R294 I297 V324 M326 V357 C358	R294-Y367 HydrophobicContact CG-CD2 4.35Å; R294-Y367 HydrophobicContact CG-CE2 3.87Å; R294-Y367 PolarHBondContact NH1-OH 2.83Å; I297-Y367 HydrophobicContact CG2-CD2 4.36Å; I297-Y367 HydrophobicContact CG2-CE2 4.36Å; V324-Y367 HydrophobicContact CG1-CD1 4.08Å; V324-Y367 HydrophobicContact CG1-CD2 3.8Å; V324-Y367 HydrophobicContact CG1-CE2 4.32Å; V324-Y367 HydrophobicContact CG1-CG 3.65Å; M326-Y367 HydrophobicContact CB-CD1 4.16Å; M326-Y367 HydrophobicContact CB-CE1 4.11Å; M326-Y367 HydrophobicContact CG-CD1 3.63Å; M326-Y367 HydrophobicContact CG-CE1 3.42Å; M326-Y367 VanDerWaalsContact CG-CE1 3.42Å; M326-Y367 HydrophobicContact SD-CD1 4.24Å; M326-Y367 HydrophobicContact SD-CE1 3.39Å; M326-Y367 WeakPolarHBondContact SD-CE1 3.37Å; V357-Y367 CarbonylContact C-O 3.57Å; V357-Y367 WeakPolarHBondContact CA-O 3.48Å; V357-Y367 WeakPolarHBondContact CB-O 3.33Å; C358-Y367 HydrophobicContact CB-CD2 4.12Å; C358-Y367 HydrophobicContact CB-CG 4.18Å; C358-Y367 PolarHBondContact N-O 2.86Å; C358-Y367 PolarHBondContact O-N 3.13Å
368	I	89.7	Confident	90.7	Very high	8 Å²	8	43 Å²	43	4%	0.041	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	121.6	165.4	-57.5	162.9	0	0	0	106.4	V324 K325 F336 L354 T370 L439	V324-I368 WeakPolarHBondContact CA-O 3.29Å; K325-I368 HydrophobicContact CB-CB 4.27Å; K325-I368 HydrophobicContact CD-CD1 4.4Å; K325-I368 PolarHBondContact N-O 2.84Å; K325-I368 PolarHBondContact O-N 3.21Å; F336-I368 HydrophobicContact CE2-CD1 3.89Å; F336-I368 HydrophobicContact CE2-CG1 3.65Å; F336-I368 HydrophobicContact CZ-CD1 4.3Å; F336-I368 HydrophobicContact CZ-CG1 3.54Å; L354-I368 HydrophobicContact CD1-CG2 3.4Å; I368-T370 HydrophobicContact CG2-CG2 4.17Å; I368-L439 HydrophobicContact CD1-CD1 4.19Å; I368-L439 HydrophobicContact CD1-CD2 3.77Å
369	I	92.8	Very high	91	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	114.5	-174.1	-50.3	169.4	0	0	0	108.9	F287 I292 I297 V322 A323 V324 L354 L355 G356	F287-I369 HydrophobicContact CE2-CB 4.08Å; F287-I369 HydrophobicContact CE2-CD1 4.02Å; F287-I369 HydrophobicContact CE2-CG2 3.75Å; F287-I369 HydrophobicContact CZ-CG2 3.83Å; I292-I369 HydrophobicContact CD1-CD1 3.23Å; I292-I369 HydrophobicContact CG1-CD1 3.68Å; I297-I369 HydrophobicContact CD1-CD1 3.82Å; I297-I369 HydrophobicContact CG1-CD1 3.92Å; V322-I369 HydrophobicContact CB-CG2 3.77Å; V322-I369 HydrophobicContact CG1-CG2 4.12Å; V322-I369 HydrophobicContact CG2-CG2 3.76Å; A323-I369 WeakPolarHBondContact O-CA 3.4Å; V324-I369 HydrophobicContact CG2-CG1 4.35Å; V324-I369 HydrophobicContact CG2-CG2 4.48Å; L354-I369 WeakPolarHBondContact CD1-O 3.45Å; L355-I369 WeakPolarHBondContact CB-O 3.25Å; L355-I369 PolarHBondContact N-O 2.99Å; G356-I369 PolarHBondContact N-O 3.35Å; G356-I369 WeakPolarHBondContact O-CB 3.4Å; G356-I369 PolarHBondContact O-N 3.19Å
370	T	93.5	Very high	91.3	Very high	27 Å²	27	50.8 Å²	50.8	17%	0.166	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	168.5	179.8	67.1	0	0	0	0	111	A323 V352 Q353 L354 I368	A323-T370 PolarHBondContact N-O 2.89Å; A323-T370 PolarHBondContact O-N 3.11Å; V352-T370 HydrophobicContact CG1-CG2 4.05Å; Q353-T370 VanDerWaalsContact O-CA 3.29Å; Q353-T370 WeakPolarHBondContact O-CA 3.43Å; Q353-T370 WeakPolarHBondContact O-CB 3.17Å; L354-T370 HydrophobicContact CD1-CG2 4.22Å; I368-T370 HydrophobicContact CG2-CG2 4.17Å
371	E	92.7	Very high	91.8	Very high	10 Å²	10	46.1 Å²	46.1	5%	0.047	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.8	148	163.1	66.2	-179.5	127.8	0	0	111.3	Y281 P284 V352 Q353 M373 K433	Y281-E371 PolarHBondContact OH-OE2 3.4Å; P284-E371 HydrophobicContact CB-CB 3.99Å; P284-E371 HydrophobicContact CG-CB 4.33Å; V352-E371 HydrophobicContact CG1-CG 4.07Å; Q353-E371 HydrophobicContact CB-CG 4.42Å; Q353-E371 WeakPolarHBondContact CB-OE1 3.19Å; Q353-E371 PolarHBondContact N-OE1 2.87Å; Q353-E371 PolarHBondContact O-N 3.24Å; Q353-E371 VanDerWaalsContact O-N 3.14Å; E371-M373 HydrophobicContact CG-SD 4.43Å; E371-K433 WeakPolarHBondContact OE1-CD 3.46Å; E371-K433 IonicContact OE1-NZ 3.65Å; E371-K433 PolarHBondContact OE1-NZ 3.27Å; E371-K433 IonicContact OE2-NZ 3.64Å; E371-K433 PolarHBondContact OE2-NZ 3.23Å
372	L	93.8	Very high	92.2	Very high	24 Å²	24	43.8 Å²	43.8	13%	0.126	22%	0.22	C	C	.	.			trans	-85.5	122.3	177.3	177.4	70.6	0	0	0	110.2	L303 L313 E321 A323 R374	L303-L372 HydrophobicContact CD1-CD1 3.82Å; L313-L372 HydrophobicContact CD1-CD1 3.93Å; L313-L372 HydrophobicContact CD1-CD2 3.51Å; L313-L372 HydrophobicContact CD1-CG 4.32Å; E321-L372 HydrophobicContact CB-CD2 4.05Å; A323-L372 HydrophobicContact CB-CD1 4.28Å; L372-R374 HydrophobicContact CD2-CG 4.45Å
373	M	94.2	Very high	92.9	Very high	13 Å²	13	42.7 Å²	42.7	6%	0.064	21%	0.209	C	C	.	.			trans	-100.1	107.1	173.8	-61.2	-68.2	-70.5	0	0	109.4	V352 E371 K375 G376 L425 V426 D427 K433	V352-M373 HydrophobicContact CG2-CG 4.39Å; E371-M373 HydrophobicContact CG-SD 4.43Å; M373-K375 VanDerWaalsContact C-N 3.33Å; M373-K375 PolarHBondContact O-N 3.28Å; M373-G376 PolarHBondContact O-N 2.86Å; M373-L425 HydrophobicContact CB-CB 3.61Å; M373-L425 HydrophobicContact CB-CD1 4Å; M373-L425 HydrophobicContact CB-CG 4.4Å; M373-L425 HydrophobicContact CE-CB 3.96Å; M373-L425 WeakPolarHBondContact CE-O 3.27Å; M373-L425 HydrophobicContact CG-CB 3.55Å; M373-L425 HydrophobicContact CG-CD1 3.73Å; M373-L425 HydrophobicContact CG-CG 4.29Å; M373-V426 CarbonylContact C-O 3.51Å; M373-D427 HydrophobicContact CE-CB 3.71Å; M373-D427 HydrophobicContact SD-CB 3.99Å; M373-K433 HydrophobicContact CE-CB 3.86Å; M373-K433 HydrophobicContact CE-CD 4.01Å; M373-K433 HydrophobicContact CE-CG 3.66Å; M373-K433 HydrophobicContact SD-CD 3.92Å; M373-K433 HydrophobicContact SD-CG 4.26Å
374	R	92.7	Very high	93.4	Very high	138 Å²	138	38.9 Å²	38.9	52%	0.521	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-25.5	-161	-66.2	-165.1	-176.5	-86.8	-5	115.6	E321 L372 D427 Q428	E321-R374 IonicContact OE2-CZ 2.99Å; E321-R374 VanDerWaalsContact OE2-CZ 3.29Å; E321-R374 IonicContact OE2-NH1 3.9Å; E321-R374 PolarHBondContact OE2-NH1 3.08Å; E321-R374 IonicContact OE2-NH2 3.99Å; E321-R374 PolarHBondContact OE2-NH2 3.42Å; L372-R374 HydrophobicContact CD2-CG 4.45Å; R374-D427 PolarHBondContact N-OD1 3.44Å; R374-D427 VanDerWaalsContact N-OD1 3.13Å; R374-Q428 HydrophobicContact CB-CB 4.36Å
375	K	94.2	Very high	93.8	Very high	40 Å²	40	42.7 Å²	42.7	17%	0.174	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	1.8	-178.4	-65.6	-177.1	178.5	-66.2	0	113.2	M373 F381 E386 V426 D427	M373-K375 VanDerWaalsContact C-N 3.33Å; M373-K375 PolarHBondContact O-N 3.28Å; K375-F381 HydrophobicContact CB-CD2 4.2Å; K375-F381 HydrophobicContact CD-CD2 4.09Å; K375-F381 HydrophobicContact CD-CE2 3.71Å; K375-F381 HydrophobicContact CD-CZ 4.26Å; K375-E386 WeakPolarHBondContact CE-OE1 3.35Å; K375-E386 IonicContact NZ-OE1 2.84Å; K375-E386 PolarHBondContact NZ-OE1 3.29Å; K375-E386 IonicContact NZ-OE2 2.66Å; K375-E386 PolarHBondContact NZ-OE2 3.34Å; K375-V426 WeakPolarHBondContact CA-O 3.46Å; K375-V426 HydrophobicContact CB-CB 3.85Å; K375-V426 HydrophobicContact CB-CG1 3.99Å; K375-V426 WeakPolarHBondContact CB-O 3.49Å; K375-V426 HydrophobicContact CD-CG1 3.95Å; K375-V426 PolarHBondContact N-O 3.1Å; K375-D427 WeakPolarHBondContact CD-O 3.46Å
376	G	94.4	Very high	94.3	Very high	31 Å²	31	43.7 Å²	43.7	32%	0.32	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	74.6	-154.1	174.5	0	0	0	0	0	113.2	M373 L425 V426	M373-G376 PolarHBondContact O-N 2.86Å; G376-L425 CarbonylContact O-C 3.53Å; G376-L425 WeakPolarHBondContact O-CA 3.16Å; G376-V426 PolarHBondContact O-N 3.37Å
377	A	95	Very high	94.7	Very high	14 Å²	14	43.5 Å²	43.5	12%	0.116	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	142.6	-178.6	0	0	0	0	0	111.7	Y379 D380 F381 I424 L425	A377-Y379 PolarHBondContact O-N 3.23Å; A377-D380 PolarHBondContact O-N 3.34Å; A377-D380 VanDerWaalsContact O-N 3.1Å; A377-F381 WeakPolarHBondContact O-CB 3.44Å; A377-F381 PolarHBondContact O-N 3.35Å; A377-I424 CarbonylContact C-O 3.55Å; A377-I424 WeakPolarHBondContact CA-O 3.39Å; A377-L425 HydrophobicContact CB-CD2 4.29Å
378	L	97.9	Very high	94.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-58.8	-37.1	178.1	178.8	63.1	0	0	0	111.2	D380 F381 L382 I398 I402 A421 I424 V426 I486	L378-D380 VanDerWaalsContact C-N 3.33Å; L378-D380 PolarHBondContact O-N 3.45Å; L378-F381 HydrophobicContact CD1-CD1 4.16Å; L378-F381 PolarHBondContact O-N 3.36Å; L378-L382 HydrophobicContact CD1-CD1 4.11Å; L378-L382 HydrophobicContact CD1-CD2 4.2Å; L378-L382 HydrophobicContact CD1-CG 3.83Å; L378-L382 HydrophobicContact CG-CD1 3.9Å; L378-L382 HydrophobicContact CG-CG 4.12Å; L378-L382 WeakPolarHBondContact O-CB 3.16Å; L378-L382 VanDerWaalsContact O-CG 3.25Å; L378-L382 WeakPolarHBondContact O-CG 3.49Å; L378-L382 PolarHBondContact O-N 2.7Å; L378-I398 HydrophobicContact CD1-CD1 4.19Å; L378-I398 HydrophobicContact CD1-CG2 4.23Å; L378-I398 HydrophobicContact CD2-CG2 3.71Å; L378-I402 HydrophobicContact CD2-CD1 4.08Å; L378-A421 WeakPolarHBondContact CB-O 3.48Å; L378-A421 PolarHBondContact N-O 2.67Å; L378-I424 HydrophobicContact CB-CB 3.82Å; L378-I424 HydrophobicContact CB-CG2 4Å; L378-I424 HydrophobicContact CD2-CB 3.96Å; L378-I424 HydrophobicContact CD2-CG1 4.38Å; L378-I424 HydrophobicContact CD2-CG2 3.84Å; L378-I424 PolarHBondContact N-O 2.72Å; L378-V426 HydrophobicContact CB-CG2 3.9Å; L378-V426 HydrophobicContact CD1-CG2 3.77Å; L378-V426 HydrophobicContact CG-CG2 4.46Å; L378-I486 HydrophobicContact CD2-CD1 4.29Å; L378-I486 HydrophobicContact CD2-CG1 4.05Å
379	Y	96.3	Very high	95.1	Very high	69 Å²	69	54.8 Å²	54.8	27%	0.271	26%	0.259	S	S	.	.	H	α-helix	trans	-53.7	-48.2	174.3	-179.9	-95.3	0	0	0	112.6	A377 R383 A421	A377-Y379 PolarHBondContact O-N 3.23Å; Y379-R383 WeakPolarHBondContact O-CD 3.14Å; Y379-R383 WeakPolarHBondContact O-CG 3.23Å; Y379-A421 HydrophobicContact CD2-CB 4.42Å; Y379-A421 PolarHBondContact N-O 2.61Å; Y379-A421 VanDerWaalsContact N-O 3.08Å
380	D	96	Very high	95.1	Very high	100 Å²	100	55.8 Å²	55.8	54%	0.535	26%	0.264	S	S	.	.	H	α-helix	trans	-73.4	-42.2	179.3	-62.6	-44.5	0	0	0	110.7	A377 L378 L382 R383 T384	A377-D380 PolarHBondContact O-N 3.34Å; A377-D380 VanDerWaalsContact O-N 3.1Å; L378-D380 VanDerWaalsContact C-N 3.33Å; L378-D380 PolarHBondContact O-N 3.45Å; D380-L382 PolarHBondContact O-N 3.21Å; D380-R383 PolarHBondContact O-N 3.49Å; D380-R383 VanDerWaalsContact O-N 3.14Å; D380-T384 WeakPolarHBondContact O-CG2 3.35Å
381	F	97.7	Very high	95	Very high	6 Å²	6	58 Å²	58	3%	0.026	28%	0.278	C	S	.	.	H	α-helix	trans	-58.2	-46.8	-179.1	175.5	-112.8	0	0	0	112.5	K375 A377 L378 R383 T384 E386 G387 L390 V426 Y430	K375-F381 HydrophobicContact CB-CD2 4.2Å; K375-F381 HydrophobicContact CD-CD2 4.09Å; K375-F381 HydrophobicContact CD-CE2 3.71Å; K375-F381 HydrophobicContact CD-CZ 4.26Å; A377-F381 WeakPolarHBondContact O-CB 3.44Å; A377-F381 PolarHBondContact O-N 3.35Å; L378-F381 HydrophobicContact CD1-CD1 4.16Å; L378-F381 PolarHBondContact O-N 3.36Å; F381-R383 PolarHBondContact O-N 3.23Å; F381-R383 VanDerWaalsContact O-N 3.08Å; F381-T384 WeakPolarHBondContact O-CB 3.37Å; F381-T384 PolarHBondContact O-N 2.96Å; F381-T384 PolarHBondContact O-OG1 3.1Å; F381-E386 HydrophobicContact CE2-CB 4.11Å; F381-E386 HydrophobicContact CE2-CG 3.91Å; F381-E386 HydrophobicContact CZ-CG 4.15Å; F381-G387 WeakPolarHBondContact O-CA 3.35Å; F381-L390 HydrophobicContact CE1-CD1 3.87Å; F381-V426 HydrophobicContact CB-CG2 4.01Å; F381-V426 HydrophobicContact CD1-CB 4.42Å; F381-V426 HydrophobicContact CD1-CG1 4.06Å; F381-V426 HydrophobicContact CD1-CG2 3.9Å; F381-V426 HydrophobicContact CE1-CG1 4.14Å; F381-V426 HydrophobicContact CG-CB 4.41Å; F381-V426 HydrophobicContact CG-CG1 4.33Å; F381-V426 HydrophobicContact CG-CG2 4.09Å; F381-Y430 HydrophobicContact CE1-CD1 4.44Å; F381-Y430 AromaticContact CZ-CD1 3.81Å; F381-Y430 HydrophobicContact CZ-CD1 3.81Å; F381-Y430 AromaticContact CZ-CE1 3.92Å; F381-Y430 HydrophobicContact CZ-CE1 3.92Å
382	L	97.4	Very high	94.9	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-57.4	-25.4	179.6	-74.8	170.1	0	0	0	113.2	L378 D380 L390 L395 I486 Y489	L378-L382 HydrophobicContact CD1-CD1 4.11Å; L378-L382 HydrophobicContact CD1-CD2 4.2Å; L378-L382 HydrophobicContact CD1-CG 3.83Å; L378-L382 HydrophobicContact CG-CD1 3.9Å; L378-L382 HydrophobicContact CG-CG 4.12Å; L378-L382 WeakPolarHBondContact O-CB 3.16Å; L378-L382 VanDerWaalsContact O-CG 3.25Å; L378-L382 WeakPolarHBondContact O-CG 3.49Å; L378-L382 PolarHBondContact O-N 2.7Å; D380-L382 PolarHBondContact O-N 3.21Å; L382-L390 HydrophobicContact CD2-CD1 4.02Å; L382-L395 HydrophobicContact CD2-CD2 3.93Å; L382-I486 HydrophobicContact CD1-CG1 4.49Å; L382-Y489 HydrophobicContact CD2-CD1 4.32Å
383	R	96.6	Very high	94.7	Very high	138 Å²	138	62.9 Å²	62.9	52%	0.521	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	1.1	-178	-58.6	171.8	67.8	80.9	5.9	113.2	Y379 D380 F381 Y489 G490	Y379-R383 WeakPolarHBondContact O-CD 3.14Å; Y379-R383 WeakPolarHBondContact O-CG 3.23Å; D380-R383 PolarHBondContact O-N 3.49Å; D380-R383 VanDerWaalsContact O-N 3.14Å; F381-R383 PolarHBondContact O-N 3.23Å; F381-R383 VanDerWaalsContact O-N 3.08Å; R383-Y489 WeakPolarHBondContact CG-O 3.49Å; R383-G490 PolarHBondContact NH1-O 2.99Å
384	T	96.9	Very high	94.6	Very high	56 Å²	56	65.6 Å²	65.6	34%	0.344	32%	0.319	S	S	.	.	S	Bend	trans	-83.4	165.1	173.1	68.1	0	0	0	0	111.1	D380 F381 E386 G387 H388	D380-T384 WeakPolarHBondContact O-CG2 3.35Å; F381-T384 WeakPolarHBondContact O-CB 3.37Å; F381-T384 PolarHBondContact O-N 2.96Å; F381-T384 PolarHBondContact O-OG1 3.1Å; T384-E386 PolarHBondContact O-N 2.72Å; T384-E386 PolarHBondContact OG1-N 3.19Å; T384-G387 PolarHBondContact O-N 2.87Å; T384-G387 PolarHBondContact OG1-N 2.65Å; T384-H388 PolarHBondContact O-CD2 3.14Å; T384-H388 VanDerWaalsContact O-CD2 3.25Å; T384-H388 PolarHBondContact O-N 3.36Å
385	E	96	Very high	94.8	Very high	160 Å²	160	59.1 Å²	59.1	75%	0.748	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-29.8	172	-67.9	-171.6	177.8	0	0	113.1	K389	E385-K389 WeakPolarHBondContact O-CD 3.44Å; E385-K389 WeakPolarHBondContact O-CG 3.19Å
386	E	95.2	Very high	94.8	Very high	64 Å²	64	57.2 Å²	57.2	30%	0.299	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-43.7	176.8	-170.7	177.7	-161.7	0	0	110.7	K375 F381 T384 H388 K389 Y430	K375-E386 WeakPolarHBondContact CE-OE1 3.35Å; K375-E386 IonicContact NZ-OE1 2.84Å; K375-E386 PolarHBondContact NZ-OE1 3.29Å; K375-E386 IonicContact NZ-OE2 2.66Å; K375-E386 PolarHBondContact NZ-OE2 3.34Å; F381-E386 HydrophobicContact CE2-CB 4.11Å; F381-E386 HydrophobicContact CE2-CG 3.91Å; F381-E386 HydrophobicContact CZ-CG 4.15Å; T384-E386 PolarHBondContact O-N 2.72Å; T384-E386 PolarHBondContact OG1-N 3.19Å; E386-H388 PolarHBondContact O-N 2.9Å; E386-K389 PolarHBondContact O-N 3.46Å; E386-Y430 HydrophobicContact CG-CE1 3.94Å; E386-Y430 VanDerWaalsContact OE1-CE1 3.32Å; E386-Y430 WeakPolarHBondContact OE1-CE1 3.44Å; E386-Y430 PolarHBondContact OE1-OH 3.25Å
387	G	96	Very high	94.8	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-61.2	-41	175.3	0	0	0	0	0	113.1	F381 T384 K389 L390 Y489	F381-G387 WeakPolarHBondContact O-CA 3.35Å; T384-G387 PolarHBondContact O-N 2.87Å; T384-G387 PolarHBondContact OG1-N 2.65Å; G387-K389 PolarHBondContact O-N 3.48Å; G387-L390 WeakPolarHBondContact O-CB 3.49Å; G387-L390 VanDerWaalsContact O-CG 3.24Å; G387-L390 WeakPolarHBondContact O-CG 3.23Å; G387-L390 PolarHBondContact O-N 3.36Å; G387-L390 VanDerWaalsContact O-N 3.16Å; G387-Y489 VanDerWaalsContact O-CE1 3.3Å; G387-Y489 WeakPolarHBondContact O-CE1 3.47Å
388	H	93.4	Very high	94.9	Very high	104 Å²	104	56.1 Å²	56.1	48%	0.481	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-68.7	-9.9	177.2	-78.8	-59.9	0	0	0	114.7	T384 E386 Y489	T384-H388 PolarHBondContact O-CD2 3.14Å; T384-H388 VanDerWaalsContact O-CD2 3.25Å; T384-H388 PolarHBondContact O-N 3.36Å; E386-H388 PolarHBondContact O-N 2.9Å; H388-Y489 AromaticContact ND1-CD1 3.91Å
389	K	93.6	Very high	94.9	Very high	157 Å²	157	56.1 Å²	56.1	68%	0.683	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-90.5	-8.3	174.6	-71.8	169.5	-172.7	170.2	0	113.3	E385 E386 G387	E385-K389 WeakPolarHBondContact O-CD 3.44Å; E385-K389 WeakPolarHBondContact O-CG 3.19Å; E386-K389 PolarHBondContact O-N 3.46Å; G387-K389 PolarHBondContact O-N 3.48Å
390	L	93.4	Very high	94.9	Very high	20 Å²	20	52.9 Å²	52.9	11%	0.105	26%	0.259	C	S	.	.			trans	-62	137.5	176.6	-62.4	174.9	0	0	0	109.8	F381 L382 G387 D394 L395 I398 Y489	F381-L390 HydrophobicContact CE1-CD1 3.87Å; L382-L390 HydrophobicContact CD2-CD1 4.02Å; G387-L390 WeakPolarHBondContact O-CB 3.49Å; G387-L390 VanDerWaalsContact O-CG 3.24Å; G387-L390 WeakPolarHBondContact O-CG 3.23Å; G387-L390 PolarHBondContact O-N 3.36Å; G387-L390 VanDerWaalsContact O-N 3.16Å; L390-D394 HydrophobicContact CB-CB 4.05Å; L390-D394 HydrophobicContact CD2-CB 3.92Å; L390-L395 HydrophobicContact CB-CD2 3.95Å; L390-L395 HydrophobicContact CD1-CD2 3.88Å; L390-I398 HydrophobicContact CD1-CD1 3.85Å; L390-Y489 HydrophobicContact CB-CE1 4.37Å; L390-Y489 PolarHBondContact O-OH 2.79Å
391	T	91.4	Very high	95	Very high	75 Å²	75	48.5 Å²	48.5	46%	0.46	24%	0.235	S	C	.	.			trans	-86.4	167.7	172.7	67	0	0	0	0	110.3	D393 D394 L395	T391-D393 PolarHBondContact O-N 3.08Å; T391-D393 PolarHBondContact OG1-N 3.39Å; T391-D394 WeakPolarHBondContact CB-OD2 3.48Å; T391-D394 PolarHBondContact N-OD2 2.71Å; T391-D394 WeakPolarHBondContact O-CB 3.39Å; T391-D394 PolarHBondContact O-N 2.6Å; T391-D394 PolarHBondContact OG1-N 2.68Å; T391-D394 PolarHBondContact OG1-OD2 3.08Å; T391-L395 WeakPolarHBondContact O-CG 3.49Å; T391-L395 PolarHBondContact O-N 3.23Å
392	L	91.6	Very high	95	Very high	48 Å²	48	48.2 Å²	48.2	25%	0.251	23%	0.234	S	C	.	.	H	α-helix	trans	-55.7	-37.3	173.2	178.3	63.1	0	0	0	112.2	D394 L395 I396 P523 L526	L392-D394 VanDerWaalsContact C-N 3.32Å; L392-D394 PolarHBondContact O-N 3.23Å; L392-L395 PolarHBondContact O-N 3.39Å; L392-I396 HydrophobicContact CD1-CG1 4.31Å; L392-I396 HydrophobicContact CG-CG1 4.42Å; L392-I396 VanDerWaalsContact O-CG1 3.27Å; L392-I396 WeakPolarHBondContact O-CG1 3.46Å; L392-I396 PolarHBondContact O-N 3.19Å; L392-P523 HydrophobicContact CD2-CG 3.56Å; L392-L526 HydrophobicContact CD1-CD2 4.35Å
393	D	89.9	Confident	95	Very high	87 Å²	87	48.2 Å²	48.2	47%	0.465	23%	0.234	S	C	.	.	H	α-helix	trans	-65	-36.8	177.5	-78.3	-39.4	0	0	0	111.9	T391 I396 D397 S555	T391-D393 PolarHBondContact O-N 3.08Å; T391-D393 PolarHBondContact OG1-N 3.39Å; D393-I396 PolarHBondContact O-N 2.93Å; D393-D397 PolarHBondContact O-N 3.35Å; D393-S555 PolarHBondContact OD1-OG 2.84Å
394	D	92.2	Very high	95.1	Very high	70 Å²	70	42.5 Å²	42.5	37%	0.374	22%	0.215	S	C	.	.	H	α-helix	trans	-67.2	-40.5	173.9	-57.5	-57.8	0	0	0	111.3	L390 T391 L392 I396 D397 I398	L390-D394 HydrophobicContact CB-CB 4.05Å; L390-D394 HydrophobicContact CD2-CB 3.92Å; T391-D394 WeakPolarHBondContact CB-OD2 3.48Å; T391-D394 PolarHBondContact N-OD2 2.71Å; T391-D394 WeakPolarHBondContact O-CB 3.39Å; T391-D394 PolarHBondContact O-N 2.6Å; T391-D394 PolarHBondContact OG1-N 2.68Å; T391-D394 PolarHBondContact OG1-OD2 3.08Å; L392-D394 VanDerWaalsContact C-N 3.32Å; L392-D394 PolarHBondContact O-N 3.23Å; D394-I396 VanDerWaalsContact C-N 3.34Å; D394-I396 PolarHBondContact O-N 2.77Å; D394-D397 WeakPolarHBondContact O-CB 3.48Å; D394-D397 PolarHBondContact O-N 3.2Å; D394-I398 WeakPolarHBondContact O-CG1 3.5Å; D394-I398 PolarHBondContact O-N 3.11Å
395	L	95.5	Very high	95	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.016	20%	0.198	C	C	.	.	H	α-helix	trans	-64.3	-39.9	176.4	-63.4	-173.4	0	0	0	111.9	L382 L390 T391 L392 D397 I398 M399 I486 Y489	L382-L395 HydrophobicContact CD2-CD2 3.93Å; L390-L395 HydrophobicContact CB-CD2 3.95Å; L390-L395 HydrophobicContact CD1-CD2 3.88Å; T391-L395 WeakPolarHBondContact O-CG 3.49Å; T391-L395 PolarHBondContact O-N 3.23Å; L392-L395 PolarHBondContact O-N 3.39Å; L395-D397 VanDerWaalsContact C-N 3.34Å; L395-I398 HydrophobicContact CD2-CD1 4.49Å; L395-I398 WeakPolarHBondContact O-CB 3.19Å; L395-I398 PolarHBondContact O-N 3Å; L395-M399 HydrophobicContact CB-CE 4.44Å; L395-M399 WeakPolarHBondContact O-CG 3.34Å; L395-M399 PolarHBondContact O-N 3.45Å; L395-I486 HydrophobicContact CB-CG2 3.8Å; L395-I486 HydrophobicContact CD1-CG2 4.43Å; L395-I486 HydrophobicContact CD2-CG2 3.84Å; L395-I486 HydrophobicContact CG-CG2 4.22Å; L395-Y489 HydrophobicContact CD1-CE1 4.41Å; L395-Y489 HydrophobicContact CD1-CE2 4.1Å; L395-Y489 HydrophobicContact CD2-CE1 4.37Å
396	I	94.9	Very high	95.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-65	-39.2	173.8	-70.6	-69.4	0	0	0	111	L392 D393 D394 M399 A400 L526 F551 W554	L392-I396 HydrophobicContact CD1-CG1 4.31Å; L392-I396 HydrophobicContact CG-CG1 4.42Å; L392-I396 VanDerWaalsContact O-CG1 3.27Å; L392-I396 WeakPolarHBondContact O-CG1 3.46Å; L392-I396 PolarHBondContact O-N 3.19Å; D393-I396 PolarHBondContact O-N 2.93Å; D394-I396 VanDerWaalsContact C-N 3.34Å; D394-I396 PolarHBondContact O-N 2.77Å; I396-M399 HydrophobicContact CD1-SD 4.11Å; I396-M399 WeakPolarHBondContact O-CB 3.23Å; I396-M399 PolarHBondContact O-N 3.29Å; I396-A400 PolarHBondContact O-N 3.2Å; I396-L526 HydrophobicContact CD1-CD1 3.94Å; I396-L526 HydrophobicContact CD1-CD2 4.07Å; I396-F551 HydrophobicContact CD1-CD1 4.09Å; I396-F551 HydrophobicContact CD1-CE1 4.03Å; I396-F551 HydrophobicContact CG2-CD1 4.17Å; I396-W554 HydrophobicContact CD1-CD2 3.99Å; I396-W554 HydrophobicContact CD1-CG 4.24Å; I396-W554 HydrophobicContact CD1-CZ2 4.08Å; I396-W554 HydrophobicContact CG1-CG 4.3Å; I396-W554 HydrophobicContact CG2-CB 3.6Å; I396-W554 HydrophobicContact CG2-CD2 4.29Å; I396-W554 HydrophobicContact CG2-CG 3.59Å
397	D	93.9	Very high	95.2	Very high	14 Å²	14	29.9 Å²	29.9	8%	0.075	15%	0.154	C	C	.	.	H	α-helix	trans	-61.2	-43.7	173.3	-179.9	65.6	0	0	0	112.1	R187 R191 D393 D394 L395 M399 A400 Q401	R187-D397 WeakPolarHBondContact CD-OD1 3.47Å; R187-D397 HydrophobicContact CG-CB 4.14Å; R187-D397 WeakPolarHBondContact CG-OD1 3.34Å; R191-D397 VanDerWaalsContact CD-OD2 3.32Å; R191-D397 WeakPolarHBondContact CD-OD2 3.5Å; D393-D397 PolarHBondContact O-N 3.35Å; D394-D397 WeakPolarHBondContact O-CB 3.48Å; D394-D397 PolarHBondContact O-N 3.2Å; L395-D397 VanDerWaalsContact C-N 3.34Å; D397-M399 VanDerWaalsContact C-N 3.29Å; D397-M399 PolarHBondContact O-N 3.48Å; D397-A400 WeakPolarHBondContact O-CB 3.25Å; D397-A400 PolarHBondContact O-N 3.18Å; D397-A400 VanDerWaalsContact O-N 3.14Å; D397-Q401 WeakPolarHBondContact O-CB 3.42Å; D397-Q401 WeakPolarHBondContact O-CG 3.47Å; D397-Q401 PolarHBondContact O-N 3.35Å; D397-Q401 PolarHBondContact OD2-NE2 3.14Å
398	I	97.2	Very high	95.2	Very high	7 Å²	7	31 Å²	31	4%	0.036	16%	0.158	C	C	.	.	H	α-helix	trans	-56.9	-44.5	173	-71	169.6	0	0	0	110.6	L378 L390 D394 L395 Q401 I402 V432 I486	L378-I398 HydrophobicContact CD1-CD1 4.19Å; L378-I398 HydrophobicContact CD1-CG2 4.23Å; L378-I398 HydrophobicContact CD2-CG2 3.71Å; L390-I398 HydrophobicContact CD1-CD1 3.85Å; D394-I398 WeakPolarHBondContact O-CG1 3.5Å; D394-I398 PolarHBondContact O-N 3.11Å; L395-I398 HydrophobicContact CD2-CD1 4.49Å; L395-I398 WeakPolarHBondContact O-CB 3.19Å; L395-I398 PolarHBondContact O-N 3Å; I398-Q401 PolarHBondContact O-N 2.79Å; I398-I402 HydrophobicContact CG2-CD1 3.7Å; I398-I402 WeakPolarHBondContact O-CD1 2.94Å; I398-I402 VanDerWaalsContact O-CG1 3.25Å; I398-I402 WeakPolarHBondContact O-CG1 3.27Å; I398-I402 PolarHBondContact O-N 3.28Å; I398-V432 HydrophobicContact CG1-CG1 4.14Å; I398-V432 HydrophobicContact CG2-CG1 4.19Å; I398-V432 HydrophobicContact CG2-CG2 4.23Å; I398-I486 HydrophobicContact CG2-CD1 4.03Å; I398-I486 HydrophobicContact CG2-CG1 4.5Å
399	M	98	Very high	95.2	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-63.2	-41.2	176.2	-66	173.4	-153.3	0	0	112.3	L395 I396 D397 I402 A403 F479 M483 I486 V487 L526 F551	L395-M399 HydrophobicContact CB-CE 4.44Å; L395-M399 WeakPolarHBondContact O-CG 3.34Å; L395-M399 PolarHBondContact O-N 3.45Å; I396-M399 HydrophobicContact CD1-SD 4.11Å; I396-M399 WeakPolarHBondContact O-CB 3.23Å; I396-M399 PolarHBondContact O-N 3.29Å; D397-M399 VanDerWaalsContact C-N 3.29Å; D397-M399 PolarHBondContact O-N 3.48Å; M399-I402 PolarHBondContact O-N 2.65Å; M399-A403 VanDerWaalsContact O-CB 3.3Å; M399-A403 WeakPolarHBondContact O-CB 3.3Å; M399-A403 PolarHBondContact O-N 2.98Å; M399-F479 HydrophobicContact CB-CZ 4.46Å; M399-M483 HydrophobicContact CG-CG 4.45Å; M399-M483 HydrophobicContact SD-CB 4.28Å; M399-M483 HydrophobicContact SD-CG 3.99Å; M399-I486 HydrophobicContact CE-CB 3.85Å; M399-I486 HydrophobicContact CE-CG2 3.48Å; M399-I486 VanDerWaalsContact CE-CG2 3.48Å; M399-I486 HydrophobicContact CG-CD1 3.76Å; M399-I486 HydrophobicContact CG-CG2 4.41Å; M399-V487 HydrophobicContact CE-CG2 3.56Å; M399-L526 HydrophobicContact CE-CD2 4.23Å; M399-L526 HydrophobicContact SD-CD1 3.87Å; M399-F551 HydrophobicContact CB-CD1 4.2Å; M399-F551 HydrophobicContact CB-CD2 4.19Å; M399-F551 HydrophobicContact CB-CE1 4.11Å; M399-F551 HydrophobicContact CB-CE2 4.12Å; M399-F551 HydrophobicContact CB-CG 4.25Å; M399-F551 HydrophobicContact CB-CZ 4.07Å; M399-F551 HydrophobicContact SD-CE1 3.88Å; M399-F551 HydrophobicContact SD-CZ 4.05Å
400	A	96.6	Very high	95.3	Very high	2 Å²	2	20.5 Å²	20.5	2%	0.017	11%	0.112	C	C	.	.	H	α-helix	trans	-60.5	-47.2	175.7	0	0	0	0	0	111.1	I396 D397 I402 A403 S404 Y548 F551	I396-A400 PolarHBondContact O-N 3.2Å; D397-A400 WeakPolarHBondContact O-CB 3.25Å; D397-A400 PolarHBondContact O-N 3.18Å; D397-A400 VanDerWaalsContact O-N 3.14Å; A400-I402 PolarHBondContact O-N 3.37Å; A400-A403 PolarHBondContact O-N 3.45Å; A400-S404 WeakPolarHBondContact O-CB 3.34Å; A400-S404 PolarHBondContact O-N 3.29Å; A400-Y548 WeakPolarHBondContact O-CD2 3.47Å; A400-F551 HydrophobicContact CB-CB 3.64Å
401	Q	96.9	Very high	95.4	Very high	7 Å²	7	25.6 Å²	25.6	3%	0.033	14%	0.135	C	C	.	.	H	α-helix	trans	-60.3	-43.5	178	-74.2	-170.5	68.2	0	0	112.1	R350 D397 I398 S404 G405 S431 V432	R350-Q401 VanDerWaalsContact CB-O 3.29Å; R350-Q401 WeakPolarHBondContact CB-O 3.28Å; R350-Q401 VanDerWaalsContact CG-O 3.28Å; R350-Q401 WeakPolarHBondContact CG-O 3.29Å; R350-Q401 VanDerWaalsContact CZ-OE1 3.26Å; D397-Q401 WeakPolarHBondContact O-CB 3.42Å; D397-Q401 WeakPolarHBondContact O-CG 3.47Å; D397-Q401 PolarHBondContact O-N 3.35Å; D397-Q401 PolarHBondContact OD2-NE2 3.14Å; I398-Q401 PolarHBondContact O-N 2.79Å; Q401-S404 WeakPolarHBondContact O-CB 3.26Å; Q401-S404 PolarHBondContact O-N 3.12Å; Q401-G405 PolarHBondContact O-N 3.39Å; Q401-S431 VanDerWaalsContact OE1-CA 3.24Å; Q401-V432 HydrophobicContact CB-CG2 3.38Å; Q401-V432 HydrophobicContact CG-CG2 4.28Å
402	I	98.5	Very high	95.4	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-66.9	-45.8	176.6	-63.9	157.3	0	0	0	110.8	L378 I398 M399 A400 S404 G405 M406 L419 I424 V432 V434 F479 L482 I486	L378-I402 HydrophobicContact CD2-CD1 4.08Å; I398-I402 HydrophobicContact CG2-CD1 3.7Å; I398-I402 WeakPolarHBondContact O-CD1 2.94Å; I398-I402 VanDerWaalsContact O-CG1 3.25Å; I398-I402 WeakPolarHBondContact O-CG1 3.27Å; I398-I402 PolarHBondContact O-N 3.28Å; M399-I402 PolarHBondContact O-N 2.65Å; A400-I402 PolarHBondContact O-N 3.37Å; I402-S404 VanDerWaalsContact C-N 3.26Å; I402-S404 PolarHBondContact O-N 2.99Å; I402-G405 PolarHBondContact O-N 3.02Å; I402-G405 VanDerWaalsContact O-N 3.11Å; I402-M406 HydrophobicContact CG2-CG 4.35Å; I402-M406 WeakPolarHBondContact O-CG 3.46Å; I402-M406 PolarHBondContact O-N 3.29Å; I402-L419 HydrophobicContact CG2-CD1 4.49Å; I402-I424 HydrophobicContact CD1-CD1 4.4Å; I402-I424 HydrophobicContact CD1-CG1 4.01Å; I402-I424 HydrophobicContact CD1-CG2 4.1Å; I402-I424 HydrophobicContact CG1-CD1 4.07Å; I402-I424 HydrophobicContact CG1-CG1 4.18Å; I402-I424 HydrophobicContact CG1-CG2 4.02Å; I402-I424 HydrophobicContact CG2-CD1 4.01Å; I402-V432 HydrophobicContact CD1-CG2 4.49Å; I402-V432 HydrophobicContact CG1-CG2 3.87Å; I402-V434 HydrophobicContact CG2-CG2 4.26Å; I402-F479 HydrophobicContact CB-CE2 3.95Å; I402-F479 HydrophobicContact CG2-CD2 3.9Å; I402-F479 HydrophobicContact CG2-CE2 3.57Å; I402-L482 HydrophobicContact CD1-CD2 4.13Å; I402-L482 HydrophobicContact CG2-CD2 3.98Å; I402-I486 HydrophobicContact CD1-CD1 3.78Å
403	A	98.3	Very high	95.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-59.8	-37.8	178.1	0	0	0	0	0	111.9	M399 A400 M406 S407 F479 L547 F551	M399-A403 VanDerWaalsContact O-CB 3.3Å; M399-A403 WeakPolarHBondContact O-CB 3.3Å; M399-A403 PolarHBondContact O-N 2.98Å; A400-A403 PolarHBondContact O-N 3.45Å; A403-M406 PolarHBondContact O-N 3.37Å; A403-S407 VanDerWaalsContact O-CB 3.3Å; A403-S407 WeakPolarHBondContact O-CB 3.47Å; A403-S407 PolarHBondContact O-N 2.86Å; A403-F479 HydrophobicContact CB-CE1 4.1Å; A403-F479 HydrophobicContact CB-CZ 3.82Å; A403-L547 HydrophobicContact CB-CB 4.47Å; A403-F551 HydrophobicContact CB-CD2 4.28Å
404	S	96.8	Very high	95.2	Very high	17 Å²	17	28.1 Å²	28.1	12%	0.119	15%	0.146	C	C	.	.	H	α-helix	trans	-59.8	-47.8	172.7	174.5	0	0	0	0	111.7	H348 A400 Q401 I402 M406 S407 Y408	H348-S404 PolarHBondContact CE1-OG 2.9Å; H348-S404 VanDerWaalsContact CE1-OG 3.29Å; A400-S404 WeakPolarHBondContact O-CB 3.34Å; A400-S404 PolarHBondContact O-N 3.29Å; Q401-S404 WeakPolarHBondContact O-CB 3.26Å; Q401-S404 PolarHBondContact O-N 3.12Å; I402-S404 VanDerWaalsContact C-N 3.26Å; I402-S404 PolarHBondContact O-N 2.99Å; S404-M406 PolarHBondContact O-N 2.88Å; S404-S407 PolarHBondContact O-N 3.37Å; S404-Y408 PolarHBondContact O-N 3.2Å; S404-Y408 VanDerWaalsContact O-N 3.15Å
405	G	96.5	Very high	95.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-60.4	-44.7	175.4	0	0	0	0	0	112.8	I351 Q401 I402 Y408 L409	I351-G405 WeakPolarHBondContact CD1-O 3.4Å; Q401-G405 PolarHBondContact O-N 3.39Å; I402-G405 PolarHBondContact O-N 3.02Å; I402-G405 VanDerWaalsContact O-N 3.11Å; G405-Y408 WeakPolarHBondContact O-CB 3.35Å; G405-Y408 PolarHBondContact O-N 3.35Å; G405-L409 PolarHBondContact O-N 3.17Å; G405-L409 VanDerWaalsContact O-N 3.13Å
406	M	98	Very high	95	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-70.7	-30.8	178.9	-68.7	-57.7	-54	0	0	113.2	I402 A403 S404 Y408 L409 E410 H416 L419 V434 I472 D475 F544	I402-M406 HydrophobicContact CG2-CG 4.35Å; I402-M406 WeakPolarHBondContact O-CG 3.46Å; I402-M406 PolarHBondContact O-N 3.29Å; A403-M406 PolarHBondContact O-N 3.37Å; S404-M406 PolarHBondContact O-N 2.88Å; M406-Y408 VanDerWaalsContact C-N 3.28Å; M406-Y408 PolarHBondContact O-N 3.14Å; M406-L409 HydrophobicContact CE-CD1 4.28Å; M406-L409 PolarHBondContact O-N 3.15Å; M406-L409 HydrophobicContact SD-CD1 3.87Å; M406-E410 WeakPolarHBondContact O-CB 3.41Å; M406-E410 PolarHBondContact O-N 3.34Å; M406-H416 HydrophobicContact CE-CB 3.88Å; M406-H416 HydrophobicContact SD-CB 4.29Å; M406-L419 HydrophobicContact CE-CD2 4.08Å; M406-L419 HydrophobicContact CG-CD1 4.34Å; M406-L419 HydrophobicContact CG-CD2 3.9Å; M406-L419 HydrophobicContact SD-CD1 3.86Å; M406-L419 HydrophobicContact SD-CD2 3.89Å; M406-L419 HydrophobicContact SD-CG 4.44Å; M406-V434 HydrophobicContact CG-CG2 4.37Å; M406-V434 HydrophobicContact SD-CG1 4.08Å; M406-V434 HydrophobicContact SD-CG2 4.31Å; M406-I472 HydrophobicContact CE-CD1 4.28Å; M406-D475 HydrophobicContact CE-CB 3.79Å; M406-F544 HydrophobicContact CB-CB 4.18Å; M406-F544 HydrophobicContact CB-CD1 3.28Å; M406-F544 HydrophobicContact CB-CD2 3.77Å; M406-F544 HydrophobicContact CB-CE1 3.38Å; M406-F544 HydrophobicContact CB-CE2 3.87Å; M406-F544 HydrophobicContact CB-CG 3.47Å; M406-F544 VanDerWaalsContact CB-CG 3.47Å; M406-F544 HydrophobicContact CB-CZ 3.67Å; M406-F544 HydrophobicContact CE-CD2 4.35Å; M406-F544 HydrophobicContact CE-CE1 4.44Å; M406-F544 HydrophobicContact CE-CE2 3.6Å; M406-F544 HydrophobicContact CE-CZ 3.64Å; M406-F544 HydrophobicContact CG-CD1 4.14Å; M406-F544 HydrophobicContact CG-CE1 3.73Å; M406-F544 HydrophobicContact CG-CE2 4.44Å; M406-F544 HydrophobicContact CG-CZ 3.9Å
407	S	97.5	Very high	94.7	Very high	16 Å²	16	29.2 Å²	29.2	11%	0.112	15%	0.148	C	C	.	.	H	α-helix	trans	-64.1	-36.1	172.2	-175.9	0	0	0	0	111.3	A403 S404 E410 E411	A403-S407 VanDerWaalsContact O-CB 3.3Å; A403-S407 WeakPolarHBondContact O-CB 3.47Å; A403-S407 PolarHBondContact O-N 2.86Å; S404-S407 PolarHBondContact O-N 3.37Å; S407-E410 WeakPolarHBondContact O-CB 3.33Å; S407-E410 PolarHBondContact O-N 3.2Å; S407-E411 PolarHBondContact O-N 3.23Å
408	Y	95.5	Very high	94.5	Very high	22 Å²	22	28.9 Å²	28.9	9%	0.086	15%	0.147	C	C	.	.	H	α-helix	trans	-66.7	-43.7	172.5	173	-108.8	0	0	0	111.8	M85 F346 H347 H348 I351 S404 G405 M406 E410 E411 M412	M85-Y408 HydrophobicContact CE-CD2 3.25Å; M85-Y408 HydrophobicContact CE-CE2 4.12Å; M85-Y408 HydrophobicContact CE-CG 3.82Å; F346-Y408 WeakPolarHBondContact CA-OH 3.39Å; F346-Y408 HydrophobicContact CB-CE1 3.94Å; F346-Y408 AromaticContact CD1-CE1 3.77Å; F346-Y408 HydrophobicContact CD1-CE1 3.77Å; F346-Y408 HydrophobicContact CG-CE1 4.17Å; H347-Y408 PolarHBondContact N-OH 2.86Å; H347-Y408 VanDerWaalsContact N-OH 3.1Å; H348-Y408 HydrophobicContact CB-CD1 3.55Å; H348-Y408 HydrophobicContact CB-CD2 4.43Å; H348-Y408 HydrophobicContact CB-CE1 3.78Å; H348-Y408 HydrophobicContact CB-CG 3.86Å; H348-Y408 AromaticContact CG-CD1 3.98Å; H348-Y408 AromaticContact CG-CG 3.88Å; I351-Y408 HydrophobicContact CG1-CD1 3.87Å; I351-Y408 HydrophobicContact CG1-CE1 4.42Å; S404-Y408 PolarHBondContact O-N 3.2Å; S404-Y408 VanDerWaalsContact O-N 3.15Å; G405-Y408 WeakPolarHBondContact O-CB 3.35Å; G405-Y408 PolarHBondContact O-N 3.35Å; M406-Y408 VanDerWaalsContact C-N 3.28Å; M406-Y408 PolarHBondContact O-N 3.14Å; Y408-E410 VanDerWaalsContact C-N 3.29Å; Y408-E410 PolarHBondContact O-N 2.95Å; Y408-E411 PolarHBondContact O-N 2.9Å; Y408-M412 HydrophobicContact CD1-CG 4.49Å; Y408-M412 HydrophobicContact CD2-CG 4.09Å; Y408-M412 HydrophobicContact CE1-CG 4.1Å; Y408-M412 HydrophobicContact CE2-CG 3.7Å; Y408-M412 HydrophobicContact CE2-SD 4.02Å; Y408-M412 VanDerWaalsContact O-CG 3.3Å; Y408-M412 WeakPolarHBondContact O-CG 3.26Å; Y408-M412 PolarHBondContact O-N 3.08Å
409	L	93.6	Very high	94.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.1	-37.9	175.2	-65.1	-177.9	0	0	0	112.1	I351 G405 M406 M412 N413 S414 F437	I351-L409 HydrophobicContact CD1-CD1 4.07Å; I351-L409 HydrophobicContact CD1-CD2 4.17Å; I351-L409 HydrophobicContact CD1-CG 3.92Å; G405-L409 PolarHBondContact O-N 3.17Å; G405-L409 VanDerWaalsContact O-N 3.13Å; M406-L409 HydrophobicContact CE-CD1 4.28Å; M406-L409 PolarHBondContact O-N 3.15Å; M406-L409 HydrophobicContact SD-CD1 3.87Å; L409-M412 CarbonylContact O-C 3.6Å; L409-M412 PolarHBondContact O-N 3.33Å; L409-N413 PolarHBondContact O-N 3.03Å; L409-S414 PolarHBondContact O-N 2.69Å; L409-F437 HydrophobicContact CD1-CB 4.15Å; L409-F437 HydrophobicContact CD1-CG 4.44Å; L409-F437 HydrophobicContact CD2-CD2 4.5Å
410	E	95.1	Very high	94.3	Very high	41 Å²	41	30.9 Å²	30.9	19%	0.192	15%	0.154	C	C	.	.	H	α-helix	trans	-58.6	-48.6	172.9	179.8	170.1	-122.1	0	0	111.5	M406 S407 Y408 M412 N413 I472 F544 R545	M406-E410 WeakPolarHBondContact O-CB 3.41Å; M406-E410 PolarHBondContact O-N 3.34Å; S407-E410 WeakPolarHBondContact O-CB 3.33Å; S407-E410 PolarHBondContact O-N 3.2Å; Y408-E410 VanDerWaalsContact C-N 3.29Å; Y408-E410 PolarHBondContact O-N 2.95Å; E410-M412 VanDerWaalsContact C-N 3.28Å; E410-M412 PolarHBondContact O-N 3.06Å; E410-N413 PolarHBondContact O-N 3.39Å; E410-I472 HydrophobicContact CB-CD1 3.91Å; E410-I472 HydrophobicContact CB-CG1 3.83Å; E410-I472 HydrophobicContact CG-CG1 3.91Å; E410-F544 PolarHBondContact OE2-N 3.03Å; E410-R545 PolarHBondContact OE2-N 3.03Å
411	E	95.1	Very high	94.3	Very high	128 Å²	128	30.8 Å²	30.8	60%	0.598	15%	0.153	S	C	*	.	H	α-helix	trans	-60.2	-39	176.6	-176.7	176.2	-171.1	0	0	112.2	S407 Y408 N413	S407-E411 PolarHBondContact O-N 3.23Å; Y408-E411 PolarHBondContact O-N 2.9Å; E411-N413 PolarHBondContact O-N 3.39Å
412	M	90.8	Very high	94.1	Very high	88 Å²	88	32 Å²	32	43%	0.433	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	5.5	177.2	-61.8	-58.1	-66.7	0	0	113.9	F346 Y408 L409 E410 S414	F346-M412 HydrophobicContact CD1-CB 4.33Å; F346-M412 HydrophobicContact CD1-CE 4.28Å; F346-M412 HydrophobicContact CD1-CG 4.07Å; F346-M412 HydrophobicContact CE1-CB 3.66Å; F346-M412 HydrophobicContact CE1-CE 4.05Å; F346-M412 HydrophobicContact CE1-CG 3.9Å; Y408-M412 HydrophobicContact CD1-CG 4.49Å; Y408-M412 HydrophobicContact CD2-CG 4.09Å; Y408-M412 HydrophobicContact CE1-CG 4.1Å; Y408-M412 HydrophobicContact CE2-CG 3.7Å; Y408-M412 HydrophobicContact CE2-SD 4.02Å; Y408-M412 VanDerWaalsContact O-CG 3.3Å; Y408-M412 WeakPolarHBondContact O-CG 3.26Å; Y408-M412 PolarHBondContact O-N 3.08Å; L409-M412 CarbonylContact O-C 3.6Å; L409-M412 PolarHBondContact O-N 3.33Å; E410-M412 VanDerWaalsContact C-N 3.28Å; E410-M412 PolarHBondContact O-N 3.06Å; M412-S414 PolarHBondContact O-N 3.47Å
413	N	89.6	Confident	93.9	Very high	152 Å²	152	32.4 Å²	32.4	81%	0.813	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	34.2	-175.6	-63.6	-78.6	0	0	0	113.6	L409 E410 E411	L409-N413 PolarHBondContact O-N 3.03Å; E410-N413 PolarHBondContact O-N 3.39Å; E411-N413 PolarHBondContact O-N 3.39Å
414	S	89.3	Confident	93.8	Very high	22 Å²	22	32.4 Å²	32.4	15%	0.154	17%	0.166	C	C	.	.			trans	-104.9	134.6	-179	-168.9	0	0	0	0	111	L409 M412	L409-S414 PolarHBondContact O-N 2.69Å; M412-S414 PolarHBondContact O-N 3.47Å
415	V	90.3	Very high	93.8	Very high	34 Å²	34	33.3 Å²	33.3	21%	0.206	17%	0.17	C	C	.	.			trans	-106.7	126.8	179.2	-174.2	0	0	0	0	109.1	R417 F470 D475	V415-R417 HydrophobicContact CB-CG 4.35Å; V415-R417 HydrophobicContact CG1-CG 3.75Å; V415-F470 HydrophobicContact CG1-CB 4.38Å; V415-D475 WeakPolarHBondContact CA-OD2 3.27Å; V415-D475 VanDerWaalsContact CG1-OD2 3.32Å; V415-D475 WeakPolarHBondContact CG1-OD2 3.26Å
416	H	91.7	Very high	93.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.17	C	C	.	.			trans	-72.5	-47.4	-177.5	-171.5	-68.1	0	0	0	112.7	M406 D418 L419 V434 S435 F437 D475	M406-H416 HydrophobicContact CE-CB 3.88Å; M406-H416 HydrophobicContact SD-CB 4.29Å; H416-D418 PolarHBondContact CE1-O 2.98Å; H416-D418 PolarHBondContact ND1-N 3.31Å; H416-D418 PolarHBondContact ND1-O 3.31Å; H416-D418 PolarHBondContact O-N 3.3Å; H416-D418 VanDerWaalsContact O-N 3.09Å; H416-L419 PolarHBondContact ND1-N 3.45Å; H416-L419 VanDerWaalsContact ND1-N 3.2Å; H416-V434 WeakPolarHBondContact CD2-CG1 3.4Å; H416-V434 VanDerWaalsContact NE2-CG1 3.26Å; H416-V434 WeakPolarHBondContact NE2-CG1 3.5Å; H416-S435 PolarHBondContact NE2-O 3Å; H416-F437 VanDerWaalsContact CD2-CB 3.43Å; H416-F437 WeakPolarHBondContact CD2-CB 3.3Å; H416-D475 WeakPolarHBondContact CB-OD2 3.47Å; H416-D475 PolarHBondContact N-OD2 3.42Å
417	R	89.7	Confident	93.6	Very high	62 Å²	62	33.7 Å²	33.7	23%	0.234	17%	0.172	C	C	.	.	S	Bend	trans	71.7	-23.1	178.6	-49.9	-179.7	177.3	-162.3	-5.2	117.4	V415 A440 F470 D475	V415-R417 HydrophobicContact CB-CG 4.35Å; V415-R417 HydrophobicContact CG1-CG 3.75Å; R417-A440 HydrophobicContact CB-CB 4.3Å; R417-F470 HydrophobicContact CB-CD1 4.01Å; R417-F470 HydrophobicContact CB-CE1 4.32Å; R417-F470 HydrophobicContact CG-CB 4.25Å; R417-F470 HydrophobicContact CG-CD1 3.91Å; R417-F470 HydrophobicContact CG-CG 4.2Å; R417-D475 PolarHBondContact N-OD1 3.09Å
418	D	88.8	Confident	93.2	Very high	8 Å²	8	38.3 Å²	38.3	4%	0.043	19%	0.192	C	C	.	.			trans	-130.5	50.8	175.7	-171.2	11.1	0	0	0	112.6	H416 R420 N423 P456	H416-D418 PolarHBondContact CE1-O 2.98Å; H416-D418 PolarHBondContact ND1-N 3.31Å; H416-D418 PolarHBondContact ND1-O 3.31Å; H416-D418 PolarHBondContact O-N 3.3Å; H416-D418 VanDerWaalsContact O-N 3.09Å; D418-R420 PolarHBondContact O-N 2.66Å; D418-R420 WeakPolarHBondContact OD1-CD 3.23Å; D418-R420 IonicContact OD1-CZ 3.39Å; D418-R420 IonicContact OD1-NE 2.8Å; D418-R420 PolarHBondContact OD1-NE 2.79Å; D418-R420 IonicContact OD1-NH2 3.23Å; D418-R420 IonicContact OD2-CZ 3.57Å; D418-R420 IonicContact OD2-NE 3.76Å; D418-R420 PolarHBondContact OD2-NE 3.02Å; D418-R420 IonicContact OD2-NH2 2.66Å; D418-R420 PolarHBondContact OD2-NH2 2.82Å; D418-N423 PolarHBondContact O-ND2 2.96Å; D418-N423 PolarHBondContact OD2-ND2 3.35Å; D418-P456 VanDerWaalsContact OD1-CG 3.27Å; D418-P456 WeakPolarHBondContact OD1-CG 3.44Å
419	L	95	Very high	92.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.192	C	C	.	.			trans	-80.4	115	-177.6	-176.9	67.1	0	0	0	110.9	I402 M406 H416 I424 V434 S478 F479 L482 F544	I402-L419 HydrophobicContact CG2-CD1 4.49Å; M406-L419 HydrophobicContact CE-CD2 4.08Å; M406-L419 HydrophobicContact CG-CD1 4.34Å; M406-L419 HydrophobicContact CG-CD2 3.9Å; M406-L419 HydrophobicContact SD-CD1 3.86Å; M406-L419 HydrophobicContact SD-CD2 3.89Å; M406-L419 HydrophobicContact SD-CG 4.44Å; H416-L419 PolarHBondContact ND1-N 3.45Å; H416-L419 VanDerWaalsContact ND1-N 3.2Å; L419-I424 HydrophobicContact CD1-CD1 3.87Å; L419-V434 HydrophobicContact CD1-CG1 4.2Å; L419-S478 WeakPolarHBondContact O-CB 3.48Å; L419-F479 HydrophobicContact CD2-CB 3.76Å; L419-F479 HydrophobicContact CD2-CD2 4.21Å; L419-F479 HydrophobicContact CD2-CG 4.4Å; L419-L482 HydrophobicContact CD1-CD2 4.09Å; L419-L482 HydrophobicContact CG-CD2 4.02Å; L419-F544 HydrophobicContact CD2-CE1 4.49Å; L419-F544 HydrophobicContact CD2-CZ 4.19Å
420	R	95.6	Very high	92.7	Very high	48 Å²	48	42.3 Å²	42.3	18%	0.181	21%	0.209	C	C	.	.	S	Bend	trans	-164.4	169.3	-179.4	56	-179.8	167.5	120.4	6.4	111.5	D418 A422 N423 I424 W459	D418-R420 PolarHBondContact O-N 2.66Å; D418-R420 WeakPolarHBondContact OD1-CD 3.23Å; D418-R420 IonicContact OD1-CZ 3.39Å; D418-R420 IonicContact OD1-NE 2.8Å; D418-R420 PolarHBondContact OD1-NE 2.79Å; D418-R420 IonicContact OD1-NH2 3.23Å; D418-R420 IonicContact OD2-CZ 3.57Å; D418-R420 IonicContact OD2-NE 3.76Å; D418-R420 PolarHBondContact OD2-NE 3.02Å; D418-R420 IonicContact OD2-NH2 2.66Å; D418-R420 PolarHBondContact OD2-NH2 2.82Å; R420-A422 HydrophobicContact CG-CB 4.29Å; R420-A422 PolarHBondContact O-N 3.32Å; R420-A422 VanDerWaalsContact O-N 3.14Å; R420-N423 HydrophobicContact CG-CB 4.46Å; R420-N423 PolarHBondContact O-N 2.87Å; R420-I424 PolarHBondContact O-N 3.36Å; R420-W459 VanDerWaalsContact CB-CD1 3.41Å; R420-W459 HydrophobicContact CB-CD2 4.18Å; R420-W459 HydrophobicContact CB-CG 3.92Å
421	A	97	Very high	92.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-63.5	-27.4	-173.1	0	0	0	0	0	112.6	L378 Y379 N423 I424 L482 E485	L378-A421 WeakPolarHBondContact CB-O 3.48Å; L378-A421 PolarHBondContact N-O 2.67Å; Y379-A421 HydrophobicContact CD2-CB 4.42Å; Y379-A421 PolarHBondContact N-O 2.61Å; Y379-A421 VanDerWaalsContact N-O 3.08Å; A421-N423 PolarHBondContact O-N 3.34Å; A421-I424 PolarHBondContact O-N 3.12Å; A421-L482 HydrophobicContact CB-CD1 3.72Å; A421-E485 HydrophobicContact CB-CB 4.13Å; A421-E485 PolarHBondContact N-OE2 3.47Å
422	A	93.2	Very high	92.7	Very high	33 Å²	33	34.4 Å²	34.4	27%	0.273	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-66.7	-22.7	174.6	0	0	0	0	0	113.6	R420	R420-A422 HydrophobicContact CG-CB 4.29Å; R420-A422 PolarHBondContact O-N 3.32Å; R420-A422 VanDerWaalsContact O-N 3.14Å
423	N	94	Very high	93	Very high	9 Å²	9	30.6 Å²	30.6	5%	0.048	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-107.7	9.7	-179.7	-68.3	-13.3	0	0	0	112.5	D418 R420 A421 S435 D436	D418-N423 PolarHBondContact O-ND2 2.96Å; D418-N423 PolarHBondContact OD2-ND2 3.35Å; R420-N423 HydrophobicContact CG-CB 4.46Å; R420-N423 PolarHBondContact O-N 2.87Å; A421-N423 PolarHBondContact O-N 3.34Å; N423-S435 VanDerWaalsContact C-OG 3.29Å; N423-S435 WeakPolarHBondContact O-CA 3.26Å; N423-S435 WeakPolarHBondContact O-CB 3.25Å; N423-S435 PolarHBondContact O-N 3.09Å; N423-S435 PolarHBondContact O-OG 2.74Å; N423-D436 HydrophobicContact CB-CB 4.45Å
424	I	97.6	Very high	93.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	131	164	-54.9	-53.3	0	0	0	107.4	A377 L378 I402 L419 R420 A421 V432 K433 V434 L482	A377-I424 CarbonylContact C-O 3.55Å; A377-I424 WeakPolarHBondContact CA-O 3.39Å; L378-I424 HydrophobicContact CB-CB 3.82Å; L378-I424 HydrophobicContact CB-CG2 4Å; L378-I424 HydrophobicContact CD2-CB 3.96Å; L378-I424 HydrophobicContact CD2-CG1 4.38Å; L378-I424 HydrophobicContact CD2-CG2 3.84Å; L378-I424 PolarHBondContact N-O 2.72Å; I402-I424 HydrophobicContact CD1-CD1 4.4Å; I402-I424 HydrophobicContact CD1-CG1 4.01Å; I402-I424 HydrophobicContact CD1-CG2 4.1Å; I402-I424 HydrophobicContact CG1-CD1 4.07Å; I402-I424 HydrophobicContact CG1-CG1 4.18Å; I402-I424 HydrophobicContact CG1-CG2 4.02Å; I402-I424 HydrophobicContact CG2-CD1 4.01Å; L419-I424 HydrophobicContact CD1-CD1 3.87Å; R420-I424 PolarHBondContact O-N 3.36Å; A421-I424 PolarHBondContact O-N 3.12Å; I424-V432 HydrophobicContact CG2-CB 3.76Å; I424-V432 HydrophobicContact CG2-CG1 4.39Å; I424-V432 HydrophobicContact CG2-CG2 4.35Å; I424-K433 WeakPolarHBondContact CA-O 3.27Å; I424-V434 HydrophobicContact CD1-CB 4.26Å; I424-V434 HydrophobicContact CD1-CG1 4.34Å; I424-V434 HydrophobicContact CD1-CG2 3.91Å; I424-L482 HydrophobicContact CD1-CD2 4.18Å; I424-L482 HydrophobicContact CG1-CD1 4.47Å; I424-L482 HydrophobicContact CG1-CD2 3.87Å
425	L	96.7	Very high	93.4	Very high	36 Å²	36	22.6 Å²	22.6	19%	0.188	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	145.4	177.4	-59.5	-174.4	0	0	0	110.8	V352 M373 G376 A377 V432 K433	V352-L425 HydrophobicContact CG2-CB 4.42Å; V352-L425 HydrophobicContact CG2-CD1 4Å; V352-L425 HydrophobicContact CG2-CG 4.4Å; M373-L425 HydrophobicContact CB-CB 3.61Å; M373-L425 HydrophobicContact CB-CD1 4Å; M373-L425 HydrophobicContact CB-CG 4.4Å; M373-L425 HydrophobicContact CE-CB 3.96Å; M373-L425 WeakPolarHBondContact CE-O 3.27Å; M373-L425 HydrophobicContact CG-CB 3.55Å; M373-L425 HydrophobicContact CG-CD1 3.73Å; M373-L425 HydrophobicContact CG-CG 4.29Å; G376-L425 CarbonylContact O-C 3.53Å; G376-L425 WeakPolarHBondContact O-CA 3.16Å; A377-L425 HydrophobicContact CB-CD2 4.29Å; L425-V432 CarbonylContact O-C 3.6Å; L425-V432 VanDerWaalsContact O-CA 3.24Å; L425-V432 WeakPolarHBondContact O-CA 3.21Å; L425-K433 PolarHBondContact N-O 3.47Å; L425-K433 PolarHBondContact O-N 3.27Å
426	V	96.8	Very high	93	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.006	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	132.8	-178.7	-168.8	0	0	0	0	109.4	M373 K375 G376 L378 F381 S431 V432	M373-V426 CarbonylContact C-O 3.51Å; K375-V426 WeakPolarHBondContact CA-O 3.46Å; K375-V426 HydrophobicContact CB-CB 3.85Å; K375-V426 HydrophobicContact CB-CG1 3.99Å; K375-V426 WeakPolarHBondContact CB-O 3.49Å; K375-V426 HydrophobicContact CD-CG1 3.95Å; K375-V426 PolarHBondContact N-O 3.1Å; G376-V426 PolarHBondContact O-N 3.37Å; L378-V426 HydrophobicContact CB-CG2 3.9Å; L378-V426 HydrophobicContact CD1-CG2 3.77Å; L378-V426 HydrophobicContact CG-CG2 4.46Å; F381-V426 HydrophobicContact CB-CG2 4.01Å; F381-V426 HydrophobicContact CD1-CB 4.42Å; F381-V426 HydrophobicContact CD1-CG1 4.06Å; F381-V426 HydrophobicContact CD1-CG2 3.9Å; F381-V426 HydrophobicContact CE1-CG1 4.14Å; F381-V426 HydrophobicContact CG-CB 4.41Å; F381-V426 HydrophobicContact CG-CG1 4.33Å; F381-V426 HydrophobicContact CG-CG2 4.09Å; V426-S431 WeakPolarHBondContact CA-O 3.42Å; V426-V432 HydrophobicContact CG1-CG1 4.38Å; V426-V432 HydrophobicContact CG2-CG1 4.06Å
427	D	92.8	Very high	92.2	Very high	8 Å²	8	23 Å²	23	4%	0.043	11%	0.11	C	C	.	.			trans	-101.9	174.7	176.5	-158.7	16.1	0	0	0	112.9	Y281 M373 R374 K375 D429 Y430 S431	Y281-D427 WeakPolarHBondContact CD2-OD2 3.21Å; Y281-D427 WeakPolarHBondContact CE2-OD2 3.36Å; M373-D427 HydrophobicContact CE-CB 3.71Å; M373-D427 HydrophobicContact SD-CB 3.99Å; R374-D427 PolarHBondContact N-OD1 3.44Å; R374-D427 VanDerWaalsContact N-OD1 3.13Å; K375-D427 WeakPolarHBondContact CD-O 3.46Å; D427-D429 PolarHBondContact O-N 3.36Å; D427-Y430 PolarHBondContact O-N 3.46Å; D427-S431 PolarHBondContact N-O 3.23Å
428	Q	89.5	Confident	91	Very high	112 Å²	112	20.5 Å²	20.5	52%	0.523	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-34.1	-176.2	-170.5	61.1	42.6	0	0	113.9	R374 Y430	R374-Q428 HydrophobicContact CB-CB 4.36Å; Q428-Y430 PolarHBondContact O-N 2.89Å
429	D	87.2	Confident	89.8	Confident	20 Å²	20	20.5 Å²	20.5	11%	0.107	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	10.3	179.4	79.2	-33.5	0	0	0	112.8	R191 K192 L195 D427 S431	R191-D429 IonicContact CZ-OD2 3.68Å; R191-D429 VanDerWaalsContact NH1-CG 3.32Å; R191-D429 PolarHBondContact NH1-O 2.87Å; R191-D429 IonicContact NH1-OD1 3.64Å; R191-D429 IonicContact NH1-OD2 3Å; R191-D429 PolarHBondContact NH1-OD2 3.48Å; R191-D429 IonicContact NH2-OD2 3.66Å; R191-D429 PolarHBondContact NH2-OD2 3.08Å; K192-D429 IonicContact NZ-OD2 2.79Å; L195-D429 HydrophobicContact CD1-CB 4.4Å; D427-D429 PolarHBondContact O-N 3.36Å; D429-S431 PolarHBondContact O-N 3.21Å; D429-S431 WeakPolarHBondContact OD1-CB 3.37Å; D429-S431 PolarHBondContact OD1-N 3Å; D429-S431 PolarHBondContact OD1-OG 3.26Å
430	Y	90.7	Very high	87.9	Confident	87 Å²	87	21.6 Å²	21.6	34%	0.341	11%	0.112	S	C	.	.	S	Bend	trans	66	12	-174	-52.5	-102	0	0	0	114.1	L195 F381 E386 D427 Q428	L195-Y430 HydrophobicContact CD2-CD2 4.21Å; F381-Y430 HydrophobicContact CE1-CD1 4.44Å; F381-Y430 AromaticContact CZ-CD1 3.81Å; F381-Y430 HydrophobicContact CZ-CD1 3.81Å; F381-Y430 AromaticContact CZ-CE1 3.92Å; F381-Y430 HydrophobicContact CZ-CE1 3.92Å; E386-Y430 HydrophobicContact CG-CE1 3.94Å; E386-Y430 VanDerWaalsContact OE1-CE1 3.32Å; E386-Y430 WeakPolarHBondContact OE1-CE1 3.44Å; E386-Y430 PolarHBondContact OE1-OH 3.25Å; D427-Y430 PolarHBondContact O-N 3.46Å; Q428-Y430 PolarHBondContact O-N 2.89Å
431	S	92.8	Very high	86.1	Confident	3 Å²	3	23.7 Å²	23.7	2%	0.021	12%	0.123	C	C	.	.			trans	-69.3	148.2	166.2	65.3	0	0	0	0	110.7	Q401 V426 D427 D429	Q401-S431 VanDerWaalsContact OE1-CA 3.24Å; V426-S431 WeakPolarHBondContact CA-O 3.42Å; D427-S431 PolarHBondContact N-O 3.23Å; D429-S431 PolarHBondContact O-N 3.21Å; D429-S431 WeakPolarHBondContact OD1-CB 3.37Å; D429-S431 PolarHBondContact OD1-N 3Å; D429-S431 PolarHBondContact OD1-OG 3.26Å
432	V	97.2	Very high	84.1	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	146	177.7	-58	0	0	0	0	111.3	R350 I398 Q401 I402 I424 L425 V426	R350-V432 WeakPolarHBondContact CD-O 3.27Å; I398-V432 HydrophobicContact CG1-CG1 4.14Å; I398-V432 HydrophobicContact CG2-CG1 4.19Å; I398-V432 HydrophobicContact CG2-CG2 4.23Å; Q401-V432 HydrophobicContact CB-CG2 3.38Å; Q401-V432 HydrophobicContact CG-CG2 4.28Å; I402-V432 HydrophobicContact CD1-CG2 4.49Å; I402-V432 HydrophobicContact CG1-CG2 3.87Å; I424-V432 HydrophobicContact CG2-CB 3.76Å; I424-V432 HydrophobicContact CG2-CG1 4.39Å; I424-V432 HydrophobicContact CG2-CG2 4.35Å; L425-V432 CarbonylContact O-C 3.6Å; L425-V432 VanDerWaalsContact O-CA 3.24Å; L425-V432 WeakPolarHBondContact O-CA 3.21Å; V426-V432 HydrophobicContact CG1-CG1 4.38Å; V426-V432 HydrophobicContact CG2-CG1 4.06Å
433	K	96.6	Very high	82	Confident	8 Å²	8	25.3 Å²	25.3	4%	0.035	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	140.1	178	-58.3	-168.9	-177.1	-166.8	0	111.2	Y281 P349 R350 V352 E371 M373 I424 L425	Y281-K433 PolarHBondContact OH-NZ 3Å; P349-K433 VanDerWaalsContact O-CE 3.26Å; P349-K433 WeakPolarHBondContact O-CE 3.43Å; R350-K433 CarbonylContact O-C 3.14Å; R350-K433 WeakPolarHBondContact O-CA 3.39Å; V352-K433 HydrophobicContact CG2-CB 3.57Å; V352-K433 HydrophobicContact CG2-CD 4.45Å; E371-K433 WeakPolarHBondContact OE1-CD 3.46Å; E371-K433 IonicContact OE1-NZ 3.65Å; E371-K433 PolarHBondContact OE1-NZ 3.27Å; E371-K433 IonicContact OE2-NZ 3.64Å; E371-K433 PolarHBondContact OE2-NZ 3.23Å; M373-K433 HydrophobicContact CE-CB 3.86Å; M373-K433 HydrophobicContact CE-CD 4.01Å; M373-K433 HydrophobicContact CE-CG 3.66Å; M373-K433 HydrophobicContact SD-CD 3.92Å; M373-K433 HydrophobicContact SD-CG 4.26Å; I424-K433 WeakPolarHBondContact CA-O 3.27Å; L425-K433 PolarHBondContact N-O 3.47Å; L425-K433 PolarHBondContact O-N 3.27Å
434	V	96.2	Very high	79.8	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	130.2	172.4	-175.1	0	0	0	0	108.9	R350 I351 V352 I402 M406 H416 L419 I424	R350-V434 PolarHBondContact O-N 2.95Å; I351-V434 HydrophobicContact CD1-CB 3.76Å; I351-V434 HydrophobicContact CD1-CG1 4.44Å; I351-V434 HydrophobicContact CD1-CG2 4.18Å; V352-V434 WeakPolarHBondContact CG2-O 3.43Å; V352-V434 PolarHBondContact N-O 3.25Å; I402-V434 HydrophobicContact CG2-CG2 4.26Å; M406-V434 HydrophobicContact CG-CG2 4.37Å; M406-V434 HydrophobicContact SD-CG1 4.08Å; M406-V434 HydrophobicContact SD-CG2 4.31Å; H416-V434 WeakPolarHBondContact CD2-CG1 3.4Å; H416-V434 VanDerWaalsContact NE2-CG1 3.26Å; H416-V434 WeakPolarHBondContact NE2-CG1 3.5Å; L419-V434 HydrophobicContact CD1-CG1 4.2Å; I424-V434 HydrophobicContact CD1-CB 4.26Å; I424-V434 HydrophobicContact CD1-CG1 4.34Å; I424-V434 HydrophobicContact CD1-CG2 3.91Å
435	S	92.1	Very high	77.4	Confident	6 Å²	6	34 Å²	34	4%	0.042	18%	0.178	C	C	.	.			trans	-125.5	170.3	-178.2	76.9	0	0	0	0	111	H416 N423 F437	H416-S435 PolarHBondContact NE2-O 3Å; N423-S435 VanDerWaalsContact C-OG 3.29Å; N423-S435 WeakPolarHBondContact O-CA 3.26Å; N423-S435 WeakPolarHBondContact O-CB 3.25Å; N423-S435 PolarHBondContact O-N 3.09Å; N423-S435 PolarHBondContact O-OG 2.74Å; S435-F437 PolarHBondContact O-N 3.44Å
436	D	82.4	Confident	75.1	Confident	39 Å²	39	36.6 Å²	36.6	21%	0.209	19%	0.192	C	C	.	.	S	Bend	trans	59.6	13.4	174.1	-74.8	-6.3	0	0	0	116	K325 N423 L439	K325-D436 IonicContact NZ-OD1 2.77Å; K325-D436 PolarHBondContact NZ-OD1 2.87Å; K325-D436 IonicContact NZ-OD2 3.9Å; K325-D436 PolarHBondContact NZ-OD2 2.75Å; N423-D436 HydrophobicContact CB-CB 4.45Å; D436-L439 HydrophobicContact CB-CD1 4.24Å; D436-L439 WeakPolarHBondContact OD1-CD1 3.44Å
437	F	75	Confident	72.5	Confident	3 Å²	3	41.6 Å²	41.6	1%	0.013	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	143.5	170.9	61.3	-89.1	0	0	0	110.6	M343 F346 I351 L409 H416 S435 L439	M343-F437 HydrophobicContact CB-CE2 3.99Å; M343-F437 HydrophobicContact CB-CZ 4.44Å; M343-F437 HydrophobicContact CE-CD2 4.25Å; M343-F437 HydrophobicContact CE-CE1 4.39Å; M343-F437 HydrophobicContact CE-CE2 3.86Å; M343-F437 HydrophobicContact CE-CZ 3.96Å; M343-F437 WeakPolarHBondContact CE-O 3.01Å; M343-F437 HydrophobicContact CG-CD2 4.26Å; M343-F437 HydrophobicContact CG-CE2 3.73Å; F346-F437 HydrophobicContact CD2-CD2 4.17Å; F346-F437 AromaticContact CD2-CE2 3.39Å; F346-F437 HydrophobicContact CD2-CE2 3.39Å; F346-F437 HydrophobicContact CD2-CZ 4.09Å; F346-F437 HydrophobicContact CE2-CD2 4.21Å; F346-F437 AromaticContact CE2-CE2 3.82Å; F346-F437 HydrophobicContact CE2-CE2 3.82Å; F346-F437 HydrophobicContact CG-CE2 4.41Å; I351-F437 HydrophobicContact CG2-CD1 3.96Å; I351-F437 HydrophobicContact CG2-CE1 3.16Å; I351-F437 HydrophobicContact CG2-CE2 4.44Å; I351-F437 HydrophobicContact CG2-CZ 3.45Å; I351-F437 VanDerWaalsContact CG2-CZ 3.45Å; L409-F437 HydrophobicContact CD1-CB 4.15Å; L409-F437 HydrophobicContact CD1-CG 4.44Å; L409-F437 HydrophobicContact CD2-CD2 4.5Å; H416-F437 VanDerWaalsContact CD2-CB 3.43Å; H416-F437 WeakPolarHBondContact CD2-CB 3.3Å; S435-F437 PolarHBondContact O-N 3.44Å; F437-L439 PolarHBondContact O-N 3.37Å
438	G	63.7	Low	70	Confident	9 Å²	9	49.3 Å²	49.3	9%	0.093	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	-26.4	178.8	0	0	0	0	0	115.5	A440 K441	G438-A440 VanDerWaalsContact C-N 3.29Å; G438-A440 PolarHBondContact O-N 2.74Å; G438-K441 WeakPolarHBondContact O-CB 3.3Å; G438-K441 PolarHBondContact O-N 3.09Å; G438-K441 VanDerWaalsContact O-N 3.09Å
439	L	62.8	Low	67.8	Low	9 Å²	9	45.8 Å²	45.8	5%	0.047	25%	0.253	C	S	.	.	H	α-helix	trans	-62	-34.7	-179.5	-65.8	-178.7	0	0	0	112.9	K325 M343 I368 D436 F437 K441 I442 I443	K325-L439 HydrophobicContact CD-CD1 4.39Å; M343-L439 HydrophobicContact CE-CD2 4.22Å; M343-L439 HydrophobicContact CE-CG 4.14Å; M343-L439 HydrophobicContact SD-CD2 3.74Å; M343-L439 HydrophobicContact SD-CG 4.13Å; I368-L439 HydrophobicContact CD1-CD1 4.19Å; I368-L439 HydrophobicContact CD1-CD2 3.77Å; D436-L439 HydrophobicContact CB-CD1 4.24Å; D436-L439 WeakPolarHBondContact OD1-CD1 3.44Å; F437-L439 PolarHBondContact O-N 3.37Å; L439-K441 PolarHBondContact O-N 3.4Å; L439-I442 HydrophobicContact CD2-CD1 4.07Å; L439-I442 PolarHBondContact O-N 3.21Å; L439-I443 VanDerWaalsContact O-CD1 3.27Å; L439-I443 WeakPolarHBondContact O-CD1 3.38Å; L439-I443 WeakPolarHBondContact O-CG1 3.4Å; L439-I443 PolarHBondContact O-N 3.2Å
440	A	56.5	Low	65.9	Low	22 Å²	22	48.7 Å²	48.7	18%	0.182	27%	0.269	C	S	.	.	H	α-helix	trans	-60.7	-30.9	177.5	0	0	0	0	0	112.8	R417 G438 I443 S444	R417-A440 HydrophobicContact CB-CB 4.3Å; G438-A440 VanDerWaalsContact C-N 3.29Å; G438-A440 PolarHBondContact O-N 2.74Å; A440-I443 PolarHBondContact O-N 3.25Å; A440-S444 PolarHBondContact O-N 3.4Å; A440-S444 VanDerWaalsContact O-N 3.1Å
441	K	57.5	Low	63.8	Low	93 Å²	93	48.9 Å²	48.9	40%	0.404	28%	0.281	S	S	.	.	H	α-helix	trans	-71.8	-31.3	-179.6	-169.7	171.2	171.2	-119.5	0	112.4	E339 G438 L439 I443 S444	E339-K441 IonicContact OE1-NZ 3.8Å; E339-K441 PolarHBondContact OE1-NZ 3.26Å; E339-K441 IonicContact OE2-NZ 3.01Å; G438-K441 WeakPolarHBondContact O-CB 3.3Å; G438-K441 PolarHBondContact O-N 3.09Å; G438-K441 VanDerWaalsContact O-N 3.09Å; L439-K441 PolarHBondContact O-N 3.4Å; K441-I443 PolarHBondContact O-N 2.98Å; K441-S444 PolarHBondContact O-OG 3.13Å
442	I	53.8	Low	61.6	Low	25 Å²	25	52 Å²	52	13%	0.128	30%	0.297	C	S	.	.	H	α-helix	trans	-71.2	-22.2	174.3	-43.1	179.2	0	0	0	111.1	T331 F336 E339 L439	T331-I442 HydrophobicContact CG2-CG2 4.5Å; F336-I442 HydrophobicContact CD2-CD1 4.27Å; E339-I442 HydrophobicContact CB-CD1 3.46Å; E339-I442 VanDerWaalsContact CB-CD1 3.46Å; E339-I442 HydrophobicContact CB-CG1 3.64Å; E339-I442 HydrophobicContact CG-CD1 4.26Å; E339-I442 HydrophobicContact CG-CG1 3.85Å; L439-I442 HydrophobicContact CD2-CD1 4.07Å; L439-I442 PolarHBondContact O-N 3.21Å
443	I	49.2	Very low	59.3	Low	42 Å²	42	57.1 Å²	57.1	22%	0.215	33%	0.329	C	S	.	.	H	α-helix	trans	-103.3	-22.2	-167.6	-61.2	169	0	0	0	111.8	F308 L439 A440 K441 D445	F308-I443 HydrophobicContact CB-CD1 4.31Å; F308-I443 HydrophobicContact CD1-CD1 3.24Å; F308-I443 HydrophobicContact CD1-CG2 4.39Å; F308-I443 HydrophobicContact CE1-CD1 3.58Å; F308-I443 HydrophobicContact CE1-CG2 4.21Å; F308-I443 HydrophobicContact CG-CD1 3.85Å; F308-I443 HydrophobicContact CZ-CD1 4.45Å; L439-I443 VanDerWaalsContact O-CD1 3.27Å; L439-I443 WeakPolarHBondContact O-CD1 3.38Å; L439-I443 WeakPolarHBondContact O-CG1 3.4Å; L439-I443 PolarHBondContact O-N 3.2Å; A440-I443 PolarHBondContact O-N 3.25Å; K441-I443 PolarHBondContact O-N 2.98Å; I443-D445 PolarHBondContact O-N 3.24Å; I443-D445 VanDerWaalsContact O-N 3.15Å
444	S	48.6	Very low	57.4	Low	78 Å²	78	61.9 Å²	61.9	55%	0.545	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-4.5	-175.7	54.9	0	0	0	0	115.9	A440 K441 D446	A440-S444 PolarHBondContact O-N 3.4Å; A440-S444 VanDerWaalsContact O-N 3.1Å; K441-S444 PolarHBondContact O-OG 3.13Å; S444-D446 VanDerWaalsContact C-N 3.29Å; S444-D446 PolarHBondContact O-N 2.87Å
445	D	47.9	Very low	56.3	Low	112 Å²	112	65.2 Å²	65.2	60%	0.599	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	4.6	178.8	-104.5	11.6	0	0	0	114	R335 I443 S447	R335-D445 IonicContact CZ-OD2 3.7Å; R335-D445 IonicContact NH1-OD2 2.66Å; R335-D445 PolarHBondContact NH1-OD2 3.17Å; R335-D445 IonicContact NH2-OD2 3.9Å; I443-D445 PolarHBondContact O-N 3.24Å; I443-D445 VanDerWaalsContact O-N 3.15Å; D445-S447 VanDerWaalsContact C-N 3.33Å; D445-S447 PolarHBondContact O-N 2.99Å
446	D	47.2	Very low	56	Low	91 Å²	91	65.8 Å²	65.8	49%	0.487	37%	0.368	S	S	.	.			trans	-75.2	87.9	174	-131.7	1.8	0	0	0	109.7	S444 H448 A449	S444-D446 VanDerWaalsContact C-N 3.29Å; S444-D446 PolarHBondContact O-N 2.87Å; D446-H448 PolarHBondContact O-N 3.11Å; D446-A449 HydrophobicContact CB-CB 4.23Å; D446-A449 PolarHBondContact O-N 2.87Å
447	S	43	Very low	56.3	Low	107 Å²	107	64.9 Å²	64.9	75%	0.748	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-6.4	177.4	59.4	0	0	0	0	115.1	D445	D445-S447 VanDerWaalsContact C-N 3.33Å; D445-S447 PolarHBondContact O-N 2.99Å
448	H	40.6	Very low	57.3	Low	169 Å²	169	66.1 Å²	66.1	78%	0.782	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.8	-4.2	-179.9	-63.8	-46.7	0	0	0	114.9	D446 D450	D446-H448 PolarHBondContact O-N 3.11Å; H448-D450 PolarHBondContact O-N 3.49Å
449	A	43.6	Very low	58.8	Low	39 Å²	39	67.6 Å²	67.6	32%	0.322	37%	0.371	S	S	.	.	S	Bend	trans	-76.2	123.8	175.4	0	0	0	0	0	110	D446 P451	D446-A449 HydrophobicContact CB-CB 4.23Å; D446-A449 PolarHBondContact O-N 2.87Å; A449-P451 WeakPolarHBondContact O-CD 3.48Å; A449-P451 VanDerWaalsContact O-N 3.08Å
450	D	46.8	Very low	60.3	Low	81 Å²	81	67.8 Å²	67.8	43%	0.433	37%	0.372	S	S	.	.			trans	-59.7	114.5	172.8	172.2	11.4	0	0	0	108.9	H448 N452 T453	H448-D450 PolarHBondContact O-N 3.49Å; D450-N452 PolarHBondContact O-N 3.32Å; D450-N452 WeakPolarHBondContact OD1-CB 3.46Å; D450-N452 PolarHBondContact OD1-N 3.35Å; D450-T453 WeakPolarHBondContact CB-OG1 3.29Å; D450-T453 PolarHBondContact O-N 2.91Å; D450-T453 PolarHBondContact O-OG1 3.15Å; D450-T453 VanDerWaalsContact O-OG1 3.14Å
451	P	45.5	Very low	62.1	Low	91 Å²	91	66.7 Å²	66.7	59%	0.591	36%	0.363	S	S	*	.	H	α-helix	trans	-59.9	-19.3	-175.5	21.8	-31.5	0	0	0	112.7	A449 F455	A449-P451 WeakPolarHBondContact O-CD 3.48Å; A449-P451 VanDerWaalsContact O-N 3.08Å; P451-F455 WeakPolarHBondContact O-CB 3.44Å
452	N	46.7	Very low	63.8	Low	69 Å²	69	63.3 Å²	63.3	37%	0.369	35%	0.351	S	S	.	.	H	α-helix	trans	-79.7	-19.5	177.7	-81.2	-42.5	0	0	0	115.3	D450 R500	D450-N452 PolarHBondContact O-N 3.32Å; D450-N452 WeakPolarHBondContact OD1-CB 3.46Å; D450-N452 PolarHBondContact OD1-N 3.35Å; N452-R500 PolarHBondContact ND2-NH2 3.15Å
453	T	48.4	Very low	65.7	Low	107 Å²	107	63.2 Å²	63.2	66%	0.656	35%	0.35	S	S	*	.	H	α-helix	trans	-104	-21.6	-167.2	42.9	0	0	0	0	115.5	D450	D450-T453 WeakPolarHBondContact CB-OG1 3.29Å; D450-T453 PolarHBondContact O-N 2.91Å; D450-T453 PolarHBondContact O-OG1 3.15Å; D450-T453 VanDerWaalsContact O-OG1 3.14Å
454	K	58.5	Low	67.7	Low	107 Å²	107	61.2 Å²	61.2	47%	0.465	34%	0.339	S	S	.	.	H	α-helix	trans	-109.7	-10.1	-179.5	-73.3	-174	179.2	179.8	0	114.7	T307	T307-K454 HydrophobicContact CG2-CB 4.3Å; T307-K454 HydrophobicContact CG2-CD 4.28Å; T307-K454 HydrophobicContact CG2-CG 4.06Å
455	F	71.5	Confident	69.6	Low	70 Å²	70	58.5 Å²	58.5	31%	0.307	32%	0.322	S	S	.	.	S	Bend	trans	-97.9	132.7	-168.1	-162.9	-99.7	0	0	0	111.6	P451 I457 T460 F470	P451-F455 WeakPolarHBondContact O-CB 3.44Å; F455-I457 HydrophobicContact CD1-CD1 3.56Å; F455-I457 HydrophobicContact CD1-CG1 3.94Å; F455-I457 HydrophobicContact CE1-CD1 4.23Å; F455-I457 PolarHBondContact O-N 2.79Å; F455-T460 HydrophobicContact CE1-CG2 3.49Å; F455-T460 VanDerWaalsContact CE1-CG2 3.49Å; F455-T460 WeakPolarHBondContact CE1-OG1 3.3Å; F455-T460 HydrophobicContact CZ-CG2 3.87Å; F455-F470 HydrophobicContact CE1-CZ 4.36Å; F455-F470 HydrophobicContact CE2-CE1 4.15Å; F455-F470 AromaticContact CE2-CZ 3.77Å; F455-F470 HydrophobicContact CE2-CZ 3.77Å; F455-F470 AromaticContact CZ-CE1 3.59Å; F455-F470 HydrophobicContact CZ-CE1 3.59Å; F455-F470 AromaticContact CZ-CZ 3.37Å; F455-F470 HydrophobicContact CZ-CZ 3.37Å
456	P	86.1	Confident	71.5	Confident	19 Å²	19	57 Å²	57	12%	0.123	31%	0.313	C	S	.	.			trans	-77.1	57.9	-174	36.7	-42.2	0	0	0	111.9	D418 K458 W459 T460	D418-P456 VanDerWaalsContact OD1-CG 3.27Å; D418-P456 WeakPolarHBondContact OD1-CG 3.44Å; P456-K458 PolarHBondContact O-N 3.48Å; P456-W459 HydrophobicContact CB-CE3 4.11Å; P456-W459 PolarHBondContact O-N 3.15Å; P456-T460 PolarHBondContact O-N 3.34Å; P456-T460 PolarHBondContact O-OG1 2.87Å; P456-T460 VanDerWaalsContact O-OG1 3.07Å
457	I	89.9	Confident	73.5	Confident	20 Å²	20	58.9 Å²	58.9	10%	0.103	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-51.8	-35.8	-168.4	-67.6	-78.9	0	0	0	113.7	F455 W459 T460 A465 T499 V503	F455-I457 HydrophobicContact CD1-CD1 3.56Å; F455-I457 HydrophobicContact CD1-CG1 3.94Å; F455-I457 HydrophobicContact CE1-CD1 4.23Å; F455-I457 PolarHBondContact O-N 2.79Å; I457-W459 PolarHBondContact O-N 3.36Å; I457-T460 PolarHBondContact O-N 3.28Å; I457-A465 HydrophobicContact CD1-CB 4.36Å; I457-T499 HydrophobicContact CB-CG2 3.33Å; I457-T499 HydrophobicContact CG1-CG2 3.51Å; I457-T499 HydrophobicContact CG2-CG2 3.38Å; I457-V503 HydrophobicContact CG2-CG2 3.28Å
458	K	94.8	Very high	75.6	Confident	29 Å²	29	60.1 Å²	60.1	13%	0.126	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-65.8	-19.9	-179.8	-69.5	-172.1	164.2	-164	0	114	P456 P493 Y494 M497 T502	P456-K458 PolarHBondContact O-N 3.48Å; K458-P493 HydrophobicContact CB-CB 4.36Å; K458-P493 VanDerWaalsContact CD-O 3.3Å; K458-P493 WeakPolarHBondContact CD-O 3.3Å; K458-P493 PolarHBondContact NZ-O 3.38Å; K458-Y494 HydrophobicContact CB-CD2 4.3Å; K458-Y494 HydrophobicContact CG-CD2 4.46Å; K458-Y494 PolarHBondContact NZ-O 2.88Å; K458-Y494 WeakPolarHBondContact O-CE2 3.49Å; K458-M497 VanDerWaalsContact CE-O 3.26Å; K458-M497 WeakPolarHBondContact CE-O 3.42Å; K458-M497 PolarHBondContact NZ-O 3.45Å; K458-T502 HydrophobicContact CG-CG2 4.32Å
459	W	95.7	Very high	77.9	Confident	40 Å²	40	56.2 Å²	56.2	15%	0.152	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-96.3	-16.7	173.9	-69.5	-100.7	0	0	0	112.2	R420 P456 I457 W477 S478 I481 E485 P493	R420-W459 VanDerWaalsContact CB-CD1 3.41Å; R420-W459 HydrophobicContact CB-CD2 4.18Å; R420-W459 HydrophobicContact CB-CG 3.92Å; P456-W459 HydrophobicContact CB-CE3 4.11Å; P456-W459 PolarHBondContact O-N 3.15Å; I457-W459 PolarHBondContact O-N 3.36Å; W459-W477 VanDerWaalsContact O-CD1 3.27Å; W459-S478 WeakPolarHBondContact O-CA 3.32Å; W459-S478 PolarHBondContact O-OG 3.3Å; W459-I481 HydrophobicContact CD2-CG2 4.3Å; W459-I481 HydrophobicContact CG-CB 4.4Å; W459-I481 HydrophobicContact CG-CG2 3.88Å; W459-E485 HydrophobicContact CZ2-CG 4.35Å; W459-E485 VanDerWaalsContact CZ2-OE1 3.3Å; W459-E485 WeakPolarHBondContact CZ2-OE1 3.33Å; W459-E485 PolarHBondContact NE1-OE2 3.43Å; W459-P493 HydrophobicContact CH2-CG 4.13Å; W459-P493 HydrophobicContact CZ2-CG 3.59Å
460	T	93.4	Very high	80.2	Confident	12 Å²	12	56.7 Å²	56.7	7%	0.074	29%	0.292	C	S	.	.	S	Bend	trans	-79.5	133.6	-172.6	-47.7	0	0	0	0	111.5	F455 P456 I457 A464 A465 F470	F455-T460 HydrophobicContact CE1-CG2 3.49Å; F455-T460 VanDerWaalsContact CE1-CG2 3.49Å; F455-T460 WeakPolarHBondContact CE1-OG1 3.3Å; F455-T460 HydrophobicContact CZ-CG2 3.87Å; P456-T460 PolarHBondContact O-N 3.34Å; P456-T460 PolarHBondContact O-OG1 2.87Å; P456-T460 VanDerWaalsContact O-OG1 3.07Å; I457-T460 PolarHBondContact O-N 3.28Å; T460-A464 HydrophobicContact CG2-CB 3.52Å; T460-A465 HydrophobicContact CG2-CB 3.97Å; T460-F470 HydrophobicContact CG2-CE1 4.5Å
461	A	95.1	Very high	82.4	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.283	C	S	.	.			trans	-58.2	147.5	170.3	0	0	0	0	0	111.9	E463 A464 A465 W477	A461-E463 VanDerWaalsContact C-N 3.31Å; A461-E463 WeakPolarHBondContact CB-OE1 3.41Å; A461-E463 WeakPolarHBondContact CB-OE2 3.06Å; A461-E463 PolarHBondContact O-N 2.87Å; A461-A464 HydrophobicContact CB-CB 4.36Å; A461-A464 PolarHBondContact O-N 3.5Å; A461-A465 PolarHBondContact O-N 3.31Å; A461-W477 HydrophobicContact CB-CB 3.68Å; A461-W477 HydrophobicContact CB-CD2 4.05Å; A461-W477 HydrophobicContact CB-CE3 4.46Å; A461-W477 HydrophobicContact CB-CG 3.68Å
462	P	93.3	Very high	84.8	Confident	22 Å²	22	51.8 Å²	51.8	14%	0.143	26%	0.263	C	S	.	.	H	α-helix	trans	-58.3	-40.3	-175.6	22	-32.7	0	0	0	112.8	A464 A465 L466 W477 V506	P462-A464 VanDerWaalsContact C-N 3.33Å; P462-A464 PolarHBondContact O-N 2.85Å; P462-A465 PolarHBondContact O-N 3.11Å; P462-L466 VanDerWaalsContact O-CB 3.26Å; P462-L466 WeakPolarHBondContact O-CB 3.45Å; P462-L466 WeakPolarHBondContact O-CG 3.48Å; P462-L466 PolarHBondContact O-N 3.3Å; P462-W477 HydrophobicContact CG-CH2 4.16Å; P462-W477 HydrophobicContact CG-CZ3 4.05Å; P462-V506 HydrophobicContact CB-CG1 4.34Å; P462-V506 HydrophobicContact CG-CG1 4.41Å
463	E	93.6	Very high	87.2	Confident	22 Å²	22	50.4 Å²	50.4	10%	0.103	25%	0.254	C	S	.	.	H	α-helix	trans	-66.5	-33.6	177	72.9	-74.1	178.2	0	0	112.9	A461 Q467 H468 I469 P538 R541	A461-E463 VanDerWaalsContact C-N 3.31Å; A461-E463 WeakPolarHBondContact CB-OE1 3.41Å; A461-E463 WeakPolarHBondContact CB-OE2 3.06Å; A461-E463 PolarHBondContact O-N 2.87Å; E463-Q467 CarbonylContact O-C 3.51Å; E463-Q467 WeakPolarHBondContact O-CA 3.48Å; E463-Q467 VanDerWaalsContact O-CB 3.32Å; E463-Q467 WeakPolarHBondContact O-CB 3.33Å; E463-Q467 PolarHBondContact O-N 2.81Å; E463-H468 PolarHBondContact O-N 2.95Å; E463-I469 HydrophobicContact CG-CB 4.4Å; E463-I469 PolarHBondContact O-N 3.18Å; E463-P538 HydrophobicContact CG-CG 4.06Å; E463-R541 IonicContact OE1-CZ 3.47Å; E463-R541 IonicContact OE1-NH1 2.68Å; E463-R541 PolarHBondContact OE1-NH1 3.05Å; E463-R541 IonicContact OE1-NH2 3.38Å; E463-R541 PolarHBondContact OE1-NH2 3.15Å; E463-R541 IonicContact OE2-CZ 3.67Å; E463-R541 IonicContact OE2-NH1 3.61Å; E463-R541 IonicContact OE2-NH2 2.81Å; E463-R541 PolarHBondContact OE2-NH2 3.28Å
464	A	91.7	Very high	89.5	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-75.4	-35.8	176.1	0	0	0	0	0	111.6	T460 A461 P462 H468 I469 F470	T460-A464 HydrophobicContact CG2-CB 3.52Å; A461-A464 HydrophobicContact CB-CB 4.36Å; A461-A464 PolarHBondContact O-N 3.5Å; P462-A464 VanDerWaalsContact C-N 3.33Å; P462-A464 PolarHBondContact O-N 2.85Å; A464-H468 VanDerWaalsContact O-CA 3.26Å; A464-H468 WeakPolarHBondContact O-CA 3.5Å; A464-H468 PolarHBondContact O-N 3.01Å; A464-I469 WeakPolarHBondContact CA-O 3.47Å; A464-I469 WeakPolarHBondContact CB-O 3.48Å; A464-F470 HydrophobicContact CB-CD1 3.97Å; A464-F470 HydrophobicContact CB-CE1 3.83Å; A464-F470 HydrophobicContact CB-CG 4.45Å; A464-F470 HydrophobicContact CB-CZ 4.2Å
465	A	88.6	Confident	91.4	Very high	21 Å²	21	40.4 Å²	40.4	17%	0.174	20%	0.201	C	C	.	.	H	α-helix	trans	-74.5	-39.3	178.4	0	0	0	0	0	113	I457 T460 A461 P462	I457-A465 HydrophobicContact CD1-CB 4.36Å; T460-A465 HydrophobicContact CG2-CB 3.97Å; A461-A465 PolarHBondContact O-N 3.31Å; P462-A465 PolarHBondContact O-N 3.11Å
466	L	87.7	Confident	92.7	Very high	81 Å²	81	37 Å²	37	42%	0.424	19%	0.187	S	C	.	.	H	α-helix	trans	-92.8	-35.5	-174	-65.4	171.6	0	0	0	113.3	P462 V503 E507	P462-L466 VanDerWaalsContact O-CB 3.26Å; P462-L466 WeakPolarHBondContact O-CB 3.45Å; P462-L466 WeakPolarHBondContact O-CG 3.48Å; P462-L466 PolarHBondContact O-N 3.3Å; L466-V503 HydrophobicContact CD2-CG1 3.57Å; L466-V503 HydrophobicContact CG-CG1 4.1Å; L466-E507 HydrophobicContact CD1-CG 4.32Å
467	Q	89.2	Confident	93.2	Very high	130 Å²	130	36.2 Å²	36.2	61%	0.607	18%	0.181	S	C	*	.	H	α-helix	trans	-119.4	1.6	-171.8	-56.8	176.4	-23	0	0	112.9	E463 I469	E463-Q467 CarbonylContact O-C 3.51Å; E463-Q467 WeakPolarHBondContact O-CA 3.48Å; E463-Q467 VanDerWaalsContact O-CB 3.32Å; E463-Q467 WeakPolarHBondContact O-CB 3.33Å; E463-Q467 PolarHBondContact O-N 2.81Å; Q467-I469 HydrophobicContact CB-CD1 3.92Å; Q467-I469 HydrophobicContact CB-CG1 3.87Å; Q467-I469 PolarHBondContact O-N 3.19Å
468	H	85.8	Confident	93.6	Very high	134 Å²	134	35.5 Å²	35.5	62%	0.62	18%	0.178	S	C	*	.			trans	56.9	28.1	-175.5	-61.1	-71	0	0	0	114.2	E463 A464 F470	E463-H468 PolarHBondContact O-N 2.95Å; A464-H468 VanDerWaalsContact O-CA 3.26Å; A464-H468 WeakPolarHBondContact O-CA 3.5Å; A464-H468 PolarHBondContact O-N 3.01Å; H468-F470 HydrophobicContact CB-CE2 4.46Å; H468-F470 WeakPolarHBondContact O-CD2 3.26Å; H468-F470 PolarHBondContact O-N 3.5Å
469	I	90.8	Very high	93.8	Very high	87 Å²	87	34.1 Å²	34.1	45%	0.446	17%	0.172	S	C	.	.			trans	-88.9	94	177.9	-57.2	178	0	0	0	109.7	E463 A464 Q467	E463-I469 HydrophobicContact CG-CB 4.4Å; E463-I469 PolarHBondContact O-N 3.18Å; A464-I469 WeakPolarHBondContact CA-O 3.47Å; A464-I469 WeakPolarHBondContact CB-O 3.48Å; Q467-I469 HydrophobicContact CB-CD1 3.92Å; Q467-I469 HydrophobicContact CB-CG1 3.87Å; Q467-I469 PolarHBondContact O-N 3.19Å
470	F	90.5	Very high	94	Very high	49 Å²	49	32.2 Å²	32.2	22%	0.215	17%	0.165	C	C	.	.			trans	-90.4	129.5	175	-67.4	-85	0	0	0	111.6	V415 R417 F455 T460 A464 H468	V415-F470 HydrophobicContact CG1-CB 4.38Å; R417-F470 HydrophobicContact CB-CD1 4.01Å; R417-F470 HydrophobicContact CB-CE1 4.32Å; R417-F470 HydrophobicContact CG-CB 4.25Å; R417-F470 HydrophobicContact CG-CD1 3.91Å; R417-F470 HydrophobicContact CG-CG 4.2Å; F455-F470 HydrophobicContact CE1-CZ 4.36Å; F455-F470 HydrophobicContact CE2-CE1 4.15Å; F455-F470 AromaticContact CE2-CZ 3.77Å; F455-F470 HydrophobicContact CE2-CZ 3.77Å; F455-F470 AromaticContact CZ-CE1 3.59Å; F455-F470 HydrophobicContact CZ-CE1 3.59Å; F455-F470 AromaticContact CZ-CZ 3.37Å; F455-F470 HydrophobicContact CZ-CZ 3.37Å; T460-F470 HydrophobicContact CG2-CE1 4.5Å; A464-F470 HydrophobicContact CB-CD1 3.97Å; A464-F470 HydrophobicContact CB-CE1 3.83Å; A464-F470 HydrophobicContact CB-CG 4.45Å; A464-F470 HydrophobicContact CB-CZ 4.2Å; H468-F470 HydrophobicContact CB-CE2 4.46Å; H468-F470 WeakPolarHBondContact O-CD2 3.26Å; H468-F470 PolarHBondContact O-N 3.5Å
471	S	93.6	Very high	94.2	Very high	35 Å²	35	31.7 Å²	31.7	25%	0.245	16%	0.161	C	C	.	.			trans	-149.5	170.7	177	67.4	0	0	0	0	111	K473 S474 D475	S471-K473 PolarHBondContact O-N 3.03Å; S471-K473 VanDerWaalsContact O-N 3.15Å; S471-K473 PolarHBondContact OG-N 3.46Å; S471-S474 PolarHBondContact N-OG 3Å; S471-S474 PolarHBondContact O-N 3.06Å; S471-S474 PolarHBondContact O-OG 3.35Å; S471-S474 PolarHBondContact OG-N 3.15Å; S471-D475 PolarHBondContact O-N 2.77Å
472	I	95.6	Very high	94.4	Very high	33 Å²	33	31.7 Å²	31.7	17%	0.169	16%	0.161	C	C	.	.	H	α-helix	trans	-56.8	-30.6	171.1	-163.2	66.1	0	0	0	111.8	M406 E410 S474 D475 V476 F544	M406-I472 HydrophobicContact CE-CD1 4.28Å; E410-I472 HydrophobicContact CB-CD1 3.91Å; E410-I472 HydrophobicContact CB-CG1 3.83Å; E410-I472 HydrophobicContact CG-CG1 3.91Å; I472-S474 VanDerWaalsContact C-N 3.33Å; I472-S474 PolarHBondContact O-N 3.1Å; I472-D475 HydrophobicContact CD1-CB 4.46Å; I472-D475 CarbonylContact O-C 3.59Å; I472-D475 WeakPolarHBondContact O-CA 3.5Å; I472-D475 WeakPolarHBondContact O-CB 3.39Å; I472-D475 PolarHBondContact O-N 3.35Å; I472-D475 VanDerWaalsContact O-N 3.11Å; I472-V476 WeakPolarHBondContact O-CG2 3.3Å; I472-V476 PolarHBondContact O-N 3.3Å; I472-F544 HydrophobicContact CD1-CD2 3.73Å; I472-F544 HydrophobicContact CD1-CE2 3.66Å; I472-F544 HydrophobicContact CG1-CD2 3.79Å; I472-F544 HydrophobicContact CG1-CE2 3.91Å
473	K	98.1	Very high	94.6	Very high	41 Å²	41	30.6 Å²	30.6	18%	0.178	16%	0.155	C	C	.	.	H	α-helix	trans	-70.3	-28.2	176.1	-61.7	-59.4	-173	174.9	0	113	S471 V476 W477 P538 R541 P542	S471-K473 PolarHBondContact O-N 3.03Å; S471-K473 VanDerWaalsContact O-N 3.15Å; S471-K473 PolarHBondContact OG-N 3.46Å; K473-V476 PolarHBondContact O-N 3.09Å; K473-W477 PolarHBondContact O-N 2.86Å; K473-P538 HydrophobicContact CB-CB 3.84Å; K473-P538 WeakPolarHBondContact CD-O 3.35Å; K473-P538 HydrophobicContact CG-CB 4.44Å; K473-P538 WeakPolarHBondContact CG-O 3.42Å; K473-R541 HydrophobicContact CD-CB 4.31Å; K473-R541 PolarHBondContact NZ-O 3.14Å; K473-R541 WeakPolarHBondContact O-CD 3.49Å; K473-R541 PolarHBondContact O-NH1 3.5Å; K473-P542 PolarHBondContact NZ-O 2.99Å
474	S	96.6	Very high	94.8	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.021	15%	0.154	C	C	.	.	H	α-helix	trans	-73.3	-29.4	169.4	66.5	0	0	0	0	112.2	S471 I472 W477 S478	S471-S474 PolarHBondContact N-OG 3Å; S471-S474 PolarHBondContact O-N 3.06Å; S471-S474 PolarHBondContact O-OG 3.35Å; S471-S474 PolarHBondContact OG-N 3.15Å; I472-S474 VanDerWaalsContact C-N 3.33Å; I472-S474 PolarHBondContact O-N 3.1Å; S474-W477 WeakPolarHBondContact O-CB 3.35Å; S474-W477 PolarHBondContact O-N 3.22Å; S474-S478 PolarHBondContact O-N 3.43Å; S474-S478 VanDerWaalsContact O-N 3.17Å; S474-S478 PolarHBondContact O-OG 3.24Å
475	D	97.1	Very high	95.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-70.7	-35.3	170.3	-67	-28.7	0	0	0	111.5	M406 V415 H416 R417 S471 I472 W477 S478 F479 F544	M406-D475 HydrophobicContact CE-CB 3.79Å; V415-D475 WeakPolarHBondContact CA-OD2 3.27Å; V415-D475 VanDerWaalsContact CG1-OD2 3.32Å; V415-D475 WeakPolarHBondContact CG1-OD2 3.26Å; H416-D475 WeakPolarHBondContact CB-OD2 3.47Å; H416-D475 PolarHBondContact N-OD2 3.42Å; R417-D475 PolarHBondContact N-OD1 3.09Å; S471-D475 PolarHBondContact O-N 2.77Å; I472-D475 HydrophobicContact CD1-CB 4.46Å; I472-D475 CarbonylContact O-C 3.59Å; I472-D475 WeakPolarHBondContact O-CA 3.5Å; I472-D475 WeakPolarHBondContact O-CB 3.39Å; I472-D475 PolarHBondContact O-N 3.35Å; I472-D475 VanDerWaalsContact O-N 3.11Å; D475-W477 VanDerWaalsContact C-N 3.3Å; D475-W477 PolarHBondContact O-N 2.8Å; D475-S478 CarbonylContact O-C 3.51Å; D475-S478 WeakPolarHBondContact O-CA 3.47Å; D475-S478 WeakPolarHBondContact O-CB 3.5Å; D475-S478 PolarHBondContact O-N 2.84Å; D475-S478 VanDerWaalsContact O-N 3.11Å; D475-F479 WeakPolarHBondContact O-CB 3.49Å; D475-F479 PolarHBondContact O-N 3.26Å; D475-F544 HydrophobicContact CB-CE2 3.89Å; D475-F544 HydrophobicContact CB-CZ 4.02Å
476	V	98.7	Very high	95.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.3	-40.6	173.5	172.9	0	0	0	0	111.2	I472 K473 F479 G480 C533 R541 P542 F544 L547	I472-V476 WeakPolarHBondContact O-CG2 3.3Å; I472-V476 PolarHBondContact O-N 3.3Å; K473-V476 PolarHBondContact O-N 3.09Å; V476-F479 WeakPolarHBondContact O-CB 3.49Å; V476-F479 PolarHBondContact O-N 3.03Å; V476-G480 PolarHBondContact O-N 3.01Å; V476-G480 VanDerWaalsContact O-N 3.08Å; V476-C533 HydrophobicContact CG1-CB 4.1Å; V476-C533 WeakPolarHBondContact O-CB 3.47Å; V476-R541 HydrophobicContact CB-CB 4.45Å; V476-R541 HydrophobicContact CG1-CB 3.87Å; V476-P542 HydrophobicContact CG1-CG 4Å; V476-F544 HydrophobicContact CB-CZ 4.47Å; V476-F544 HydrophobicContact CG2-CD2 3.87Å; V476-F544 HydrophobicContact CG2-CE1 4.44Å; V476-F544 HydrophobicContact CG2-CE2 3.58Å; V476-F544 HydrophobicContact CG2-CG 4.41Å; V476-F544 HydrophobicContact CG2-CZ 3.9Å; V476-L547 HydrophobicContact CG1-CD1 4.18Å
477	W	98.5	Very high	96	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.008	13%	0.127	C	C	.	.	H	α-helix	trans	-58.6	-49.2	171.6	176.9	-72.4	0	0	0	111.5	W459 A461 P462 K473 S474 D475 F479 G480 I481 V506 C533 W534	W459-W477 VanDerWaalsContact O-CD1 3.27Å; A461-W477 HydrophobicContact CB-CB 3.68Å; A461-W477 HydrophobicContact CB-CD2 4.05Å; A461-W477 HydrophobicContact CB-CE3 4.46Å; A461-W477 HydrophobicContact CB-CG 3.68Å; P462-W477 HydrophobicContact CG-CH2 4.16Å; P462-W477 HydrophobicContact CG-CZ3 4.05Å; K473-W477 PolarHBondContact O-N 2.86Å; S474-W477 WeakPolarHBondContact O-CB 3.35Å; S474-W477 PolarHBondContact O-N 3.22Å; D475-W477 VanDerWaalsContact C-N 3.3Å; D475-W477 PolarHBondContact O-N 2.8Å; W477-F479 PolarHBondContact O-N 3.18Å; W477-G480 WeakPolarHBondContact O-CA 3.49Å; W477-G480 PolarHBondContact O-N 2.87Å; W477-I481 PolarHBondContact O-N 3.23Å; W477-V506 HydrophobicContact CH2-CG1 3.5Å; W477-V506 VanDerWaalsContact CH2-CG1 3.5Å; W477-V506 HydrophobicContact CZ2-CG1 3.55Å; W477-C533 WeakPolarHBondContact CA-O 3.26Å; W477-W534 AromaticContact CD2-CD1 3.81Å; W477-W534 AromaticContact CE2-CD1 3.89Å; W477-W534 HydrophobicContact CE3-CB 4.11Å; W477-W534 HydrophobicContact CH2-CB 4.07Å; W477-W534 HydrophobicContact CZ2-CB 4.49Å; W477-W534 HydrophobicContact CZ3-CB 3.88Å; W477-W534 WeakPolarHBondContact CZ3-O 3.38Å; W477-W534 PolarHBondContact O-NE1 2.73Å
478	S	98	Very high	96.3	Very high	5 Å²	5	20.9 Å²	20.9	4%	0.035	10%	0.104	C	C	.	.	H	α-helix	trans	-59.1	-38.2	179.5	-51.9	0	0	0	0	111.1	L419 W459 S474 D475 G480 I481 L482	L419-S478 WeakPolarHBondContact O-CB 3.48Å; W459-S478 WeakPolarHBondContact O-CA 3.32Å; W459-S478 PolarHBondContact O-OG 3.3Å; S474-S478 PolarHBondContact O-N 3.43Å; S474-S478 VanDerWaalsContact O-N 3.17Å; S474-S478 PolarHBondContact O-OG 3.24Å; D475-S478 CarbonylContact O-C 3.51Å; D475-S478 WeakPolarHBondContact O-CA 3.47Å; D475-S478 WeakPolarHBondContact O-CB 3.5Å; D475-S478 PolarHBondContact O-N 2.84Å; D475-S478 VanDerWaalsContact O-N 3.11Å; S478-G480 PolarHBondContact O-N 2.89Å; S478-I481 PolarHBondContact O-N 3Å; S478-I481 VanDerWaalsContact O-N 3.16Å; S478-L482 PolarHBondContact O-N 2.88Å
479	F	98.7	Very high	96.8	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-64.3	-38.2	174.5	-174.3	-125.2	0	0	0	112.7	M399 I402 A403 L419 D475 V476 W477 I481 L482 M483 F544 L547 F551	M399-F479 HydrophobicContact CB-CZ 4.46Å; I402-F479 HydrophobicContact CB-CE2 3.95Å; I402-F479 HydrophobicContact CG2-CD2 3.9Å; I402-F479 HydrophobicContact CG2-CE2 3.57Å; A403-F479 HydrophobicContact CB-CE1 4.1Å; A403-F479 HydrophobicContact CB-CZ 3.82Å; L419-F479 HydrophobicContact CD2-CB 3.76Å; L419-F479 HydrophobicContact CD2-CD2 4.21Å; L419-F479 HydrophobicContact CD2-CG 4.4Å; D475-F479 WeakPolarHBondContact O-CB 3.49Å; D475-F479 PolarHBondContact O-N 3.26Å; V476-F479 WeakPolarHBondContact O-CB 3.49Å; V476-F479 PolarHBondContact O-N 3.03Å; W477-F479 PolarHBondContact O-N 3.18Å; F479-I481 VanDerWaalsContact C-N 3.3Å; F479-I481 PolarHBondContact O-N 3.37Å; F479-L482 HydrophobicContact CD2-CD2 4.14Å; F479-L482 HydrophobicContact CD2-CG 4.48Å; F479-L482 CarbonylContact O-C 3.55Å; F479-L482 WeakPolarHBondContact O-CB 3.42Å; F479-L482 PolarHBondContact O-N 3.47Å; F479-L482 VanDerWaalsContact O-N 3.17Å; F479-M483 HydrophobicContact CD1-CE 3.27Å; F479-M483 HydrophobicContact CE1-CE 3.16Å; F479-M483 HydrophobicContact CG-CE 4.16Å; F479-M483 HydrophobicContact CZ-CE 3.91Å; F479-M483 WeakPolarHBondContact O-CG 3.42Å; F479-M483 PolarHBondContact O-N 2.93Å; F479-F544 HydrophobicContact CB-CE1 3.69Å; F479-F544 HydrophobicContact CB-CZ 4.01Å; F479-F544 HydrophobicContact CD1-CD1 4.3Å; F479-F544 AromaticContact CD1-CE1 3.76Å; F479-F544 HydrophobicContact CD1-CE1 3.76Å; F479-F544 HydrophobicContact CD2-CE1 4.36Å; F479-F544 HydrophobicContact CE1-CE1 4.44Å; F479-F544 AromaticContact CG-CE1 3.7Å; F479-F544 HydrophobicContact CG-CE1 3.7Å; F479-F544 HydrophobicContact CG-CZ 4.5Å; F479-L547 HydrophobicContact CD1-CD1 3.71Å; F479-L547 HydrophobicContact CE1-CB 4.24Å; F479-L547 HydrophobicContact CE1-CD1 3.94Å; F479-L547 HydrophobicContact CE1-CG 4.48Å; F479-F551 AromaticContact CE1-CE2 3.78Å; F479-F551 HydrophobicContact CE1-CE2 3.78Å; F479-F551 HydrophobicContact CZ-CD2 4.49Å; F479-F551 AromaticContact CZ-CE2 3.89Å; F479-F551 HydrophobicContact CZ-CE2 3.89Å
480	G	98.7	Very high	97.1	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-59.5	-39.8	171.4	0	0	0	0	0	112.6	V476 W477 S478 M483 Y484 W534	V476-G480 PolarHBondContact O-N 3.01Å; V476-G480 VanDerWaalsContact O-N 3.08Å; W477-G480 WeakPolarHBondContact O-CA 3.49Å; W477-G480 PolarHBondContact O-N 2.87Å; S478-G480 PolarHBondContact O-N 2.89Å; G480-M483 PolarHBondContact O-N 3.3Å; G480-Y484 PolarHBondContact O-N 3.48Å; G480-W534 VanDerWaalsContact C-CZ2 3.48Å; G480-W534 WeakPolarHBondContact O-CZ2 3.32Å
481	I	98.5	Very high	97.3	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-68.8	-38.5	174.1	-56.4	-67	0	0	0	111.1	W459 W477 S478 F479 M483 Y484 E485 P493 Y494 L512 W534	W459-I481 HydrophobicContact CD2-CG2 4.3Å; W459-I481 HydrophobicContact CG-CB 4.4Å; W459-I481 HydrophobicContact CG-CG2 3.88Å; W477-I481 PolarHBondContact O-N 3.23Å; S478-I481 PolarHBondContact O-N 3Å; S478-I481 VanDerWaalsContact O-N 3.16Å; F479-I481 VanDerWaalsContact C-N 3.3Å; F479-I481 PolarHBondContact O-N 3.37Å; I481-M483 PolarHBondContact O-N 3.06Å; I481-Y484 WeakPolarHBondContact O-CA 3.44Å; I481-Y484 VanDerWaalsContact O-CB 3.29Å; I481-Y484 WeakPolarHBondContact O-CB 3.22Å; I481-Y484 PolarHBondContact O-N 3.01Å; I481-Y484 VanDerWaalsContact O-N 3.11Å; I481-E485 PolarHBondContact O-N 2.9Å; I481-P493 HydrophobicContact CG2-CB 3.79Å; I481-P493 HydrophobicContact CG2-CG 3.45Å; I481-P493 VanDerWaalsContact CG2-CG 3.45Å; I481-Y494 HydrophobicContact CD1-CE2 3.79Å; I481-L512 HydrophobicContact CD1-CD1 3.95Å; I481-W534 HydrophobicContact CD1-CZ2 3.66Å; I481-W534 HydrophobicContact CG1-CZ2 4.43Å
482	L	98.6	Very high	97.3	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-62.9	-38.8	174.1	172	53.5	0	0	0	112.1	I402 L419 A421 I424 S478 F479 Y484 E485 I486	I402-L482 HydrophobicContact CD1-CD2 4.13Å; I402-L482 HydrophobicContact CG2-CD2 3.98Å; L419-L482 HydrophobicContact CD1-CD2 4.09Å; L419-L482 HydrophobicContact CG-CD2 4.02Å; A421-L482 HydrophobicContact CB-CD1 3.72Å; I424-L482 HydrophobicContact CD1-CD2 4.18Å; I424-L482 HydrophobicContact CG1-CD1 4.47Å; I424-L482 HydrophobicContact CG1-CD2 3.87Å; S478-L482 PolarHBondContact O-N 2.88Å; F479-L482 HydrophobicContact CD2-CD2 4.14Å; F479-L482 HydrophobicContact CD2-CG 4.48Å; F479-L482 CarbonylContact O-C 3.55Å; F479-L482 WeakPolarHBondContact O-CB 3.42Å; F479-L482 PolarHBondContact O-N 3.47Å; F479-L482 VanDerWaalsContact O-N 3.17Å; L482-Y484 VanDerWaalsContact C-N 3.26Å; L482-Y484 PolarHBondContact O-N 3.38Å; L482-E485 WeakPolarHBondContact O-CB 3.41Å; L482-E485 PolarHBondContact O-N 3.05Å; L482-E485 VanDerWaalsContact O-N 3.15Å; L482-I486 HydrophobicContact CD1-CD1 3.85Å; L482-I486 HydrophobicContact CD1-CG1 3.95Å; L482-I486 HydrophobicContact CG-CD1 3.92Å; L482-I486 HydrophobicContact CG-CG1 4.49Å; L482-I486 VanDerWaalsContact O-CG1 3.26Å; L482-I486 WeakPolarHBondContact O-CG1 3.32Å; L482-I486 PolarHBondContact O-N 3.3Å
483	M	98.5	Very high	97.3	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-57.7	-42.2	171.4	-65.1	174.8	-159.2	0	0	111.1	M399 F479 G480 I481 I486 V487 L526 M530 L547 F551	M399-M483 HydrophobicContact CG-CG 4.45Å; M399-M483 HydrophobicContact SD-CB 4.28Å; M399-M483 HydrophobicContact SD-CG 3.99Å; F479-M483 HydrophobicContact CD1-CE 3.27Å; F479-M483 HydrophobicContact CE1-CE 3.16Å; F479-M483 HydrophobicContact CG-CE 4.16Å; F479-M483 HydrophobicContact CZ-CE 3.91Å; F479-M483 WeakPolarHBondContact O-CG 3.42Å; F479-M483 PolarHBondContact O-N 2.93Å; G480-M483 PolarHBondContact O-N 3.3Å; I481-M483 PolarHBondContact O-N 3.06Å; M483-I486 PolarHBondContact O-N 3.12Å; M483-V487 WeakPolarHBondContact O-CG2 3.47Å; M483-V487 PolarHBondContact O-N 3.42Å; M483-L526 HydrophobicContact SD-CD1 4.5Å; M483-M530 HydrophobicContact CB-CE 3.63Å; M483-M530 HydrophobicContact CB-CG 3.87Å; M483-M530 HydrophobicContact CB-SD 4.35Å; M483-M530 HydrophobicContact SD-CG 3.77Å; M483-L547 HydrophobicContact CE-CD2 4.04Å; M483-F551 HydrophobicContact CE-CE2 3.82Å; M483-F551 HydrophobicContact CE-CZ 3.69Å; M483-F551 HydrophobicContact SD-CZ 3.94Å
484	Y	97.7	Very high	97.2	Very high	24 Å²	24	9 Å²	9	9%	0.094	5%	0.053	C	C	.	.	H	α-helix	trans	-60.2	-46.5	174.8	174.1	-83.1	0	0	0	111.2	G480 I481 L482 I486 V487 T488 P493 L512 P515	G480-Y484 PolarHBondContact O-N 3.48Å; I481-Y484 WeakPolarHBondContact O-CA 3.44Å; I481-Y484 VanDerWaalsContact O-CB 3.29Å; I481-Y484 WeakPolarHBondContact O-CB 3.22Å; I481-Y484 PolarHBondContact O-N 3.01Å; I481-Y484 VanDerWaalsContact O-N 3.11Å; L482-Y484 VanDerWaalsContact C-N 3.26Å; L482-Y484 PolarHBondContact O-N 3.38Å; Y484-I486 VanDerWaalsContact C-N 3.31Å; Y484-I486 PolarHBondContact O-N 3.42Å; Y484-V487 PolarHBondContact O-N 3.16Å; Y484-T488 HydrophobicContact CD1-CG2 4.33Å; Y484-T488 HydrophobicContact CD2-CG2 4.36Å; Y484-T488 HydrophobicContact CE1-CG2 4.02Å; Y484-T488 HydrophobicContact CE2-CG2 4.08Å; Y484-T488 HydrophobicContact CG-CG2 4.48Å; Y484-T488 WeakPolarHBondContact O-CB 3.4Å; Y484-T488 VanDerWaalsContact O-CG2 3.32Å; Y484-T488 WeakPolarHBondContact O-CG2 3.27Å; Y484-T488 PolarHBondContact O-N 3.18Å; Y484-T488 PolarHBondContact O-OG1 3.08Å; Y484-P493 HydrophobicContact CD1-CG 4.42Å; Y484-L512 HydrophobicContact CD1-CD1 4.2Å; Y484-L512 HydrophobicContact CD2-CD1 3.93Å; Y484-L512 HydrophobicContact CE1-CD1 4.47Å; Y484-L512 HydrophobicContact CE2-CD1 4.19Å; Y484-L512 HydrophobicContact CE2-CD2 4.03Å; Y484-L512 HydrophobicContact CG-CD1 3.93Å; Y484-P515 HydrophobicContact CD2-CB 3.9Å; Y484-P515 HydrophobicContact CD2-CG 3.95Å; Y484-P515 HydrophobicContact CE2-CB 3.7Å; Y484-P515 HydrophobicContact CE2-CG 4.26Å
485	E	97.9	Very high	97.1	Very high	3 Å²	3	13 Å²	13	1%	0.014	8%	0.079	C	C	.	.	H	α-helix	trans	-57.7	-43.8	175.8	-67.6	-175.9	99.6	0	0	111.8	A421 W459 I481 L482 T488 Y489 G490 P493	A421-E485 HydrophobicContact CB-CB 4.13Å; A421-E485 PolarHBondContact N-OE2 3.47Å; W459-E485 HydrophobicContact CZ2-CG 4.35Å; W459-E485 VanDerWaalsContact CZ2-OE1 3.3Å; W459-E485 WeakPolarHBondContact CZ2-OE1 3.33Å; W459-E485 PolarHBondContact NE1-OE2 3.43Å; I481-E485 PolarHBondContact O-N 2.9Å; L482-E485 WeakPolarHBondContact O-CB 3.41Å; L482-E485 PolarHBondContact O-N 3.05Å; L482-E485 VanDerWaalsContact O-N 3.15Å; E485-T488 CarbonylContact O-C 3.51Å; E485-T488 PolarHBondContact O-N 3.5Å; E485-T488 PolarHBondContact O-OG1 2.84Å; E485-Y489 PolarHBondContact O-N 3.33Å; E485-Y489 VanDerWaalsContact O-N 3.12Å; E485-G490 PolarHBondContact O-N 3.11Å; E485-P493 HydrophobicContact CG-CG 4.16Å
486	I	98	Very high	96.9	Very high	0 Å²	0	17 Å²	17	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-63.9	-50.8	-178.6	-67.7	164.2	0	0	0	110.6	L378 L382 L395 I398 M399 I402 L482 M483 Y484 T488 Y489	L378-I486 HydrophobicContact CD2-CD1 4.29Å; L378-I486 HydrophobicContact CD2-CG1 4.05Å; L382-I486 HydrophobicContact CD1-CG1 4.49Å; L395-I486 HydrophobicContact CB-CG2 3.8Å; L395-I486 HydrophobicContact CD1-CG2 4.43Å; L395-I486 HydrophobicContact CD2-CG2 3.84Å; L395-I486 HydrophobicContact CG-CG2 4.22Å; I398-I486 HydrophobicContact CG2-CD1 4.03Å; I398-I486 HydrophobicContact CG2-CG1 4.5Å; M399-I486 HydrophobicContact CE-CB 3.85Å; M399-I486 HydrophobicContact CE-CG2 3.48Å; M399-I486 VanDerWaalsContact CE-CG2 3.48Å; M399-I486 HydrophobicContact CG-CD1 3.76Å; M399-I486 HydrophobicContact CG-CG2 4.41Å; I402-I486 HydrophobicContact CD1-CD1 3.78Å; L482-I486 HydrophobicContact CD1-CD1 3.85Å; L482-I486 HydrophobicContact CD1-CG1 3.95Å; L482-I486 HydrophobicContact CG-CD1 3.92Å; L482-I486 HydrophobicContact CG-CG1 4.49Å; L482-I486 VanDerWaalsContact O-CG1 3.26Å; L482-I486 WeakPolarHBondContact O-CG1 3.32Å; L482-I486 PolarHBondContact O-N 3.3Å; M483-I486 PolarHBondContact O-N 3.12Å; Y484-I486 VanDerWaalsContact C-N 3.31Å; Y484-I486 PolarHBondContact O-N 3.42Å; I486-T488 PolarHBondContact O-N 3.04Å; I486-Y489 PolarHBondContact O-N 3.31Å; I486-Y489 VanDerWaalsContact O-N 3.14Å
487	V	96.5	Very high	96.7	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.012	13%	0.131	C	C	.	.	H	α-helix	trans	-65.9	-27.6	-179.5	178.7	0	0	0	0	112	M399 M483 Y484 P515 C522 L526 M530	M399-V487 HydrophobicContact CE-CG2 3.56Å; M483-V487 WeakPolarHBondContact O-CG2 3.47Å; M483-V487 PolarHBondContact O-N 3.42Å; Y484-V487 PolarHBondContact O-N 3.16Å; V487-P515 HydrophobicContact CB-CG 4.49Å; V487-P515 HydrophobicContact CG1-CG 4.1Å; V487-C522 HydrophobicContact CG1-CB 3.84Å; V487-L526 HydrophobicContact CG2-CD2 3.54Å; V487-M530 HydrophobicContact CB-CE 4.48Å; V487-M530 HydrophobicContact CG2-CE 3.85Å
488	T	96.2	Very high	96.4	Very high	21 Å²	21	22.9 Å²	22.9	13%	0.129	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	9.6	178.1	59.4	0	0	0	0	113.9	Y484 E485 I486 G490 G491 P515	Y484-T488 HydrophobicContact CD1-CG2 4.33Å; Y484-T488 HydrophobicContact CD2-CG2 4.36Å; Y484-T488 HydrophobicContact CE1-CG2 4.02Å; Y484-T488 HydrophobicContact CE2-CG2 4.08Å; Y484-T488 HydrophobicContact CG-CG2 4.48Å; Y484-T488 WeakPolarHBondContact O-CB 3.4Å; Y484-T488 VanDerWaalsContact O-CG2 3.32Å; Y484-T488 WeakPolarHBondContact O-CG2 3.27Å; Y484-T488 PolarHBondContact O-N 3.18Å; Y484-T488 PolarHBondContact O-OG1 3.08Å; E485-T488 CarbonylContact O-C 3.51Å; E485-T488 PolarHBondContact O-N 3.5Å; E485-T488 PolarHBondContact O-OG1 2.84Å; I486-T488 PolarHBondContact O-N 3.04Å; T488-G490 VanDerWaalsContact C-N 3.33Å; T488-G490 PolarHBondContact O-N 3.37Å; T488-G491 PolarHBondContact O-N 3.42Å; T488-G491 VanDerWaalsContact OG1-CA 3.23Å; T488-G491 WeakPolarHBondContact OG1-CA 3.46Å; T488-G491 PolarHBondContact OG1-N 3.47Å; T488-G491 VanDerWaalsContact OG1-N 3.08Å; T488-P515 HydrophobicContact CG2-CB 3.47Å; T488-P515 VanDerWaalsContact CG2-CB 3.47Å; T488-P515 HydrophobicContact CG2-CG 4.35Å
489	Y	96.6	Very high	96	Very high	29 Å²	29	25.2 Å²	25.2	11%	0.114	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	48.1	-177.2	-62.3	-100.8	0	0	0	113.2	L382 R383 G387 H388 L390 L395 E485 I486 H520	L382-Y489 HydrophobicContact CD2-CD1 4.32Å; R383-Y489 WeakPolarHBondContact CG-O 3.49Å; G387-Y489 VanDerWaalsContact O-CE1 3.3Å; G387-Y489 WeakPolarHBondContact O-CE1 3.47Å; H388-Y489 AromaticContact ND1-CD1 3.91Å; L390-Y489 HydrophobicContact CB-CE1 4.37Å; L390-Y489 PolarHBondContact O-OH 2.79Å; L395-Y489 HydrophobicContact CD1-CE1 4.41Å; L395-Y489 HydrophobicContact CD1-CE2 4.1Å; L395-Y489 HydrophobicContact CD2-CE1 4.37Å; E485-Y489 PolarHBondContact O-N 3.33Å; E485-Y489 VanDerWaalsContact O-N 3.12Å; I486-Y489 PolarHBondContact O-N 3.31Å; I486-Y489 VanDerWaalsContact O-N 3.14Å; Y489-H520 AromaticContact CD2-CD2 3.4Å; Y489-H520 WeakPolarHBondContact CD2-CD2 3.32Å; Y489-H520 AromaticContact CD2-NE2 3.68Å; Y489-H520 AromaticContact CE2-CD2 3.94Å
490	G	95.7	Very high	95.4	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.01	20%	0.201	C	C	.	.	S	Bend	trans	83.4	28.3	-178.3	0	0	0	0	0	113.6	R383 E485 T488	R383-G490 PolarHBondContact NH1-O 2.99Å; E485-G490 PolarHBondContact O-N 3.11Å; T488-G490 VanDerWaalsContact C-N 3.33Å; T488-G490 PolarHBondContact O-N 3.37Å
491	G	94.7	Very high	95.2	Very high	18 Å²	18	38.7 Å²	38.7	19%	0.186	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-64.1	141.4	172.8	0	0	0	0	0	111.6	T488 P493	T488-G491 PolarHBondContact O-N 3.42Å; T488-G491 VanDerWaalsContact OG1-CA 3.23Å; T488-G491 WeakPolarHBondContact OG1-CA 3.46Å; T488-G491 PolarHBondContact OG1-N 3.47Å; T488-G491 VanDerWaalsContact OG1-N 3.08Å; G491-P493 WeakPolarHBondContact O-CD 3.21Å
492	T	93.8	Very high	94.9	Very high	79 Å²	79	38.9 Å²	38.9	49%	0.485	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-73.7	124.5	179.8	-61	0	0	0	0	110.3
493	P	96.2	Very high	94.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.234	C	C	.	.	S	Bend	trans	-58.7	146.8	175.2	-25.2	35.3	0	0	0	112	K458 W459 I481 Y484 E485 G491 L512	K458-P493 HydrophobicContact CB-CB 4.36Å; K458-P493 VanDerWaalsContact CD-O 3.3Å; K458-P493 WeakPolarHBondContact CD-O 3.3Å; K458-P493 PolarHBondContact NZ-O 3.38Å; W459-P493 HydrophobicContact CH2-CG 4.13Å; W459-P493 HydrophobicContact CZ2-CG 3.59Å; I481-P493 HydrophobicContact CG2-CB 3.79Å; I481-P493 HydrophobicContact CG2-CG 3.45Å; I481-P493 VanDerWaalsContact CG2-CG 3.45Å; Y484-P493 HydrophobicContact CD1-CG 4.42Å; E485-P493 HydrophobicContact CG-CG 4.16Å; G491-P493 WeakPolarHBondContact O-CD 3.21Å; P493-L512 HydrophobicContact CB-CD1 4.25Å
494	Y	95.9	Very high	94.2	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.008	25%	0.249	C	C	.	.	S	Bend	trans	47.7	62.2	-178.9	-53.9	-87.8	0	0	0	111.8	K458 I481 G496 M497 T502 V506 Y510 L512	K458-Y494 HydrophobicContact CB-CD2 4.3Å; K458-Y494 HydrophobicContact CG-CD2 4.46Å; K458-Y494 PolarHBondContact NZ-O 2.88Å; K458-Y494 WeakPolarHBondContact O-CE2 3.49Å; I481-Y494 HydrophobicContact CD1-CE2 3.79Å; Y494-G496 PolarHBondContact O-N 2.99Å; Y494-M497 HydrophobicContact CD1-SD 4.21Å; Y494-M497 PolarHBondContact O-N 3.4Å; Y494-M497 VanDerWaalsContact O-N 3.12Å; Y494-T502 HydrophobicContact CD1-CG2 3.91Å; Y494-T502 HydrophobicContact CD2-CG2 3.48Å; Y494-T502 VanDerWaalsContact CD2-CG2 3.48Å; Y494-T502 HydrophobicContact CE1-CG2 4.18Å; Y494-T502 HydrophobicContact CE2-CG2 3.79Å; Y494-T502 HydrophobicContact CG-CG2 3.55Å; Y494-V506 HydrophobicContact CE1-CG2 3.8Å; Y494-Y510 HydrophobicContact CD1-CD1 4.28Å; Y494-Y510 AromaticContact CD1-CE1 3.81Å; Y494-Y510 HydrophobicContact CD1-CE1 3.81Å; Y494-Y510 HydrophobicContact CE1-CD1 4.07Å; Y494-Y510 AromaticContact CE1-CE1 3.91Å; Y494-Y510 HydrophobicContact CE1-CE1 3.91Å; Y494-L512 HydrophobicContact CD1-CD2 4Å; Y494-L512 HydrophobicContact CD1-CG 3.85Å; Y494-L512 HydrophobicContact CD2-CD1 4.24Å; Y494-L512 HydrophobicContact CD2-CG 4.35Å; Y494-L512 HydrophobicContact CE1-CD1 4.36Å; Y494-L512 HydrophobicContact CE1-CD2 4.32Å; Y494-L512 HydrophobicContact CE1-CG 3.67Å; Y494-L512 HydrophobicContact CE2-CD1 3.98Å; Y494-L512 HydrophobicContact CE2-CG 4.19Å; Y494-L512 HydrophobicContact CG-CD2 4.19Å; Y494-L512 HydrophobicContact CG-CG 4.19Å
495	P	94.1	Very high	94.2	Very high	86 Å²	86	44.1 Å²	44.1	56%	0.558	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	136.7	-176	25.4	-34.1	0	0	0	110.5	M497	P495-M497 PolarHBondContact O-N 3.24Å
496	G	93.9	Very high	94.1	Very high	85 Å²	85	44.5 Å²	44.5	88%	0.876	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	-8.5	-177.7	0	0	0	0	0	115.7	Y494	Y494-G496 PolarHBondContact O-N 2.99Å
497	M	94.2	Very high	93.8	Very high	47 Å²	47	50.7 Å²	50.7	23%	0.232	29%	0.29	C	S	.	.			trans	-95.3	134.5	175.6	-61.2	-176.2	178.8	0	0	111.5	K458 Y494 P495 Q501 Y510	K458-M497 VanDerWaalsContact CE-O 3.26Å; K458-M497 WeakPolarHBondContact CE-O 3.42Å; K458-M497 PolarHBondContact NZ-O 3.45Å; Y494-M497 HydrophobicContact CD1-SD 4.21Å; Y494-M497 PolarHBondContact O-N 3.4Å; Y494-M497 VanDerWaalsContact O-N 3.12Å; P495-M497 PolarHBondContact O-N 3.24Å; M497-Q501 HydrophobicContact CB-CB 4.49Å; M497-Y510 HydrophobicContact CE-CD1 4.38Å; M497-Y510 HydrophobicContact CE-CE1 3.83Å; M497-Y510 HydrophobicContact CE-CE2 4.38Å; M497-Y510 HydrophobicContact SD-CE1 4.31Å
498	T	92.5	Very high	93.8	Very high	78 Å²	78	57.9 Å²	57.9	48%	0.479	32%	0.321	S	S	.	.			trans	-69.3	163	166.5	63.9	0	0	0	0	110.8	R500 Q501 T502	T498-R500 PolarHBondContact O-N 3.33Å; T498-Q501 PolarHBondContact O-N 3.48Å; T498-Q501 WeakPolarHBondContact OG1-CB 3Å; T498-Q501 VanDerWaalsContact OG1-CD 3.24Å; T498-Q501 VanDerWaalsContact OG1-CG 3.25Å; T498-Q501 WeakPolarHBondContact OG1-CG 3.32Å; T498-Q501 PolarHBondContact OG1-N 3.36Å; T498-Q501 PolarHBondContact OG1-OE1 2.96Å; T498-T502 WeakPolarHBondContact O-CB 3.25Å; T498-T502 PolarHBondContact O-N 3.45Å; T498-T502 PolarHBondContact O-OG1 3.45Å
499	T	89.1	Confident	93.7	Very high	55 Å²	55	59.1 Å²	59.1	34%	0.337	34%	0.338	S	S	.	.	H	α-helix	trans	-53.2	-49	176.4	-61.5	0	0	0	0	113	I457 T502 V503	I457-T499 HydrophobicContact CB-CG2 3.33Å; I457-T499 HydrophobicContact CG1-CG2 3.51Å; I457-T499 HydrophobicContact CG2-CG2 3.38Å; T499-T502 WeakPolarHBondContact O-CB 3.41Å; T499-T502 PolarHBondContact O-N 3.11Å; T499-V503 PolarHBondContact O-N 3.08Å
500	R	87	Confident	93.8	Very high	181 Å²	181	61.6 Å²	61.6	68%	0.683	35%	0.348	S	S	*	.	H	α-helix	trans	-65.3	-41.5	179.3	-70.2	-175.7	-176	167.5	2	112.6	N452 T498 T502 V503 A504	N452-R500 PolarHBondContact ND2-NH2 3.15Å; T498-R500 PolarHBondContact O-N 3.33Å; R500-T502 VanDerWaalsContact C-N 3.31Å; R500-T502 PolarHBondContact O-N 3.3Å; R500-V503 PolarHBondContact O-N 2.88Å; R500-A504 PolarHBondContact O-N 3.08Å
501	Q	93.5	Very high	93.9	Very high	102 Å²	102	62.9 Å²	62.9	48%	0.477	35%	0.352	S	S	.	.	H	α-helix	trans	-63.2	-40.4	176	-74.8	166.4	-34.6	0	0	111.4	M497 T498 V503 A504 E505	M497-Q501 HydrophobicContact CB-CB 4.49Å; T498-Q501 PolarHBondContact O-N 3.48Å; T498-Q501 WeakPolarHBondContact OG1-CB 3Å; T498-Q501 VanDerWaalsContact OG1-CD 3.24Å; T498-Q501 VanDerWaalsContact OG1-CG 3.25Å; T498-Q501 WeakPolarHBondContact OG1-CG 3.32Å; T498-Q501 PolarHBondContact OG1-N 3.36Å; T498-Q501 PolarHBondContact OG1-OE1 2.96Å; Q501-V503 PolarHBondContact O-N 3.16Å; Q501-A504 PolarHBondContact O-N 3.17Å; Q501-E505 WeakPolarHBondContact O-CG 3.44Å; Q501-E505 PolarHBondContact O-N 3.17Å
502	T	93.5	Very high	93.9	Very high	4 Å²	4	62 Å²	62	3%	0.025	34%	0.344	C	S	.	.	H	α-helix	trans	-58.7	-48.8	179.5	-55.2	0	0	0	0	110.8	K458 Y494 T498 T499 R500 A504 E505 V506	K458-T502 HydrophobicContact CG-CG2 4.32Å; Y494-T502 HydrophobicContact CD1-CG2 3.91Å; Y494-T502 HydrophobicContact CD2-CG2 3.48Å; Y494-T502 VanDerWaalsContact CD2-CG2 3.48Å; Y494-T502 HydrophobicContact CE1-CG2 4.18Å; Y494-T502 HydrophobicContact CE2-CG2 3.79Å; Y494-T502 HydrophobicContact CG-CG2 3.55Å; T498-T502 WeakPolarHBondContact O-CB 3.25Å; T498-T502 PolarHBondContact O-N 3.45Å; T498-T502 PolarHBondContact O-OG1 3.45Å; T499-T502 WeakPolarHBondContact O-CB 3.41Å; T499-T502 PolarHBondContact O-N 3.11Å; R500-T502 VanDerWaalsContact C-N 3.31Å; R500-T502 PolarHBondContact O-N 3.3Å; T502-A504 PolarHBondContact O-N 3.07Å; T502-E505 PolarHBondContact O-N 2.78Å; T502-V506 HydrophobicContact CG2-CG2 4.25Å; T502-V506 VanDerWaalsContact O-CB 3.31Å; T502-V506 WeakPolarHBondContact O-CB 3.48Å; T502-V506 WeakPolarHBondContact O-CG2 3.19Å; T502-V506 PolarHBondContact O-N 3.04Å
503	V	89.6	Confident	94	Very high	32 Å²	32	61.8 Å²	61.8	19%	0.194	34%	0.343	C	S	.	.	H	α-helix	trans	-58.8	-48.7	178	177.1	0	0	0	0	111.1	I457 L466 T499 R500 Q501 E505 V506 E507	I457-V503 HydrophobicContact CG2-CG2 3.28Å; L466-V503 HydrophobicContact CD2-CG1 3.57Å; L466-V503 HydrophobicContact CG-CG1 4.1Å; T499-V503 PolarHBondContact O-N 3.08Å; R500-V503 PolarHBondContact O-N 2.88Å; Q501-V503 PolarHBondContact O-N 3.16Å; V503-E505 PolarHBondContact O-N 3.4Å; V503-V506 PolarHBondContact O-N 3.26Å; V503-E507 WeakPolarHBondContact O-CB 3.49Å; V503-E507 PolarHBondContact O-N 3.08Å
504	A	92.4	Very high	94	Very high	38 Å²	38	63.7 Å²	63.7	31%	0.314	36%	0.356	S	S	.	.	H	α-helix	trans	-63.3	-39.8	-177.8	0	0	0	0	0	113.1	R500 Q501 T502 K508	R500-A504 PolarHBondContact O-N 3.08Å; Q501-A504 PolarHBondContact O-N 3.17Å; T502-A504 PolarHBondContact O-N 3.07Å; A504-K508 WeakPolarHBondContact O-CG 3.42Å; A504-K508 PolarHBondContact O-N 3.44Å
505	E	96.6	Very high	93.9	Very high	64 Å²	64	64.2 Å²	64.2	30%	0.299	36%	0.36	S	S	.	.	H	α-helix	trans	-73.9	-40.9	178.5	-69.2	-55.3	126.5	0	0	111.7	Q501 T502 V503 E507 K508 G509 Y510	Q501-E505 WeakPolarHBondContact O-CG 3.44Å; Q501-E505 PolarHBondContact O-N 3.17Å; T502-E505 PolarHBondContact O-N 2.78Å; V503-E505 PolarHBondContact O-N 3.4Å; E505-E507 VanDerWaalsContact C-N 3.28Å; E505-E507 PolarHBondContact O-N 3.42Å; E505-K508 WeakPolarHBondContact O-CB 3.44Å; E505-K508 PolarHBondContact O-N 3.12Å; E505-K508 VanDerWaalsContact O-N 3.11Å; E505-K508 IonicContact OE1-NZ 2.75Å; E505-K508 PolarHBondContact OE1-NZ 3.34Å; E505-G509 PolarHBondContact O-N 3.34Å; E505-Y510 HydrophobicContact CB-CD1 4.37Å; E505-Y510 HydrophobicContact CB-CG 4.26Å; E505-Y510 WeakPolarHBondContact O-CB 3.41Å; E505-Y510 PolarHBondContact O-N 3.1Å
506	V	95.9	Very high	93.9	Very high	10 Å²	10	65.5 Å²	65.5	6%	0.061	36%	0.358	C	S	.	.	H	α-helix	trans	-60.6	-39.5	176.8	167.3	0	0	0	0	111.5	P462 W477 Y494 T502 V503 K508 G509 R511	P462-V506 HydrophobicContact CB-CG1 4.34Å; P462-V506 HydrophobicContact CG-CG1 4.41Å; W477-V506 HydrophobicContact CH2-CG1 3.5Å; W477-V506 VanDerWaalsContact CH2-CG1 3.5Å; W477-V506 HydrophobicContact CZ2-CG1 3.55Å; Y494-V506 HydrophobicContact CE1-CG2 3.8Å; T502-V506 HydrophobicContact CG2-CG2 4.25Å; T502-V506 VanDerWaalsContact O-CB 3.31Å; T502-V506 WeakPolarHBondContact O-CB 3.48Å; T502-V506 WeakPolarHBondContact O-CG2 3.19Å; T502-V506 PolarHBondContact O-N 3.04Å; V503-V506 PolarHBondContact O-N 3.26Å; V506-K508 VanDerWaalsContact C-N 3.33Å; V506-K508 PolarHBondContact O-N 2.84Å; V506-G509 PolarHBondContact O-N 2.92Å; V506-R511 PolarHBondContact O-NH1 2.66Å
507	E	92.6	Very high	93.7	Very high	131 Å²	131	63.9 Å²	63.9	61%	0.612	33%	0.331	S	S	*	.	H	α-helix	trans	-62.7	-37.5	175	-172.2	178.1	-159.9	0	0	112.2	L466 V503 E505 G509	L466-E507 HydrophobicContact CD1-CG 4.32Å; V503-E507 WeakPolarHBondContact O-CB 3.49Å; V503-E507 PolarHBondContact O-N 3.08Å; E505-E507 VanDerWaalsContact C-N 3.28Å; E505-E507 PolarHBondContact O-N 3.42Å; E507-G509 PolarHBondContact O-N 3.03Å; E507-G509 VanDerWaalsContact O-N 3.15Å
508	K	95.3	Very high	93.3	Very high	152 Å²	152	67.3 Å²	67.3	66%	0.661	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-2	173.6	-65.8	170.4	-165.8	168.9	0	113.9	A504 E505 V506	A504-K508 WeakPolarHBondContact O-CG 3.42Å; A504-K508 PolarHBondContact O-N 3.44Å; E505-K508 WeakPolarHBondContact O-CB 3.44Å; E505-K508 PolarHBondContact O-N 3.12Å; E505-K508 VanDerWaalsContact O-N 3.11Å; E505-K508 IonicContact OE1-NZ 2.75Å; E505-K508 PolarHBondContact OE1-NZ 3.34Å; V506-K508 VanDerWaalsContact C-N 3.33Å; V506-K508 PolarHBondContact O-N 2.84Å
509	G	95.6	Very high	92.9	Very high	48 Å²	48	70.1 Å²	70.1	50%	0.495	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.6	3.6	-179.7	0	0	0	0	0	114.5	E505 V506 E507	E505-G509 PolarHBondContact O-N 3.34Å; V506-G509 PolarHBondContact O-N 2.92Å; E507-G509 PolarHBondContact O-N 3.03Å; E507-G509 VanDerWaalsContact O-N 3.15Å
510	Y	97.4	Very high	92.6	Very high	81 Å²	81	69.9 Å²	69.9	32%	0.318	36%	0.36	S	S	.	.			trans	-61.7	140.1	172.2	179.7	-93.9	0	0	0	110.4	Y494 M497 E505 P513	Y494-Y510 HydrophobicContact CD1-CD1 4.28Å; Y494-Y510 AromaticContact CD1-CE1 3.81Å; Y494-Y510 HydrophobicContact CD1-CE1 3.81Å; Y494-Y510 HydrophobicContact CE1-CD1 4.07Å; Y494-Y510 AromaticContact CE1-CE1 3.91Å; Y494-Y510 HydrophobicContact CE1-CE1 3.91Å; M497-Y510 HydrophobicContact CE-CD1 4.38Å; M497-Y510 HydrophobicContact CE-CE1 3.83Å; M497-Y510 HydrophobicContact CE-CE2 4.38Å; M497-Y510 HydrophobicContact SD-CE1 4.31Å; E505-Y510 HydrophobicContact CB-CD1 4.37Å; E505-Y510 HydrophobicContact CB-CG 4.26Å; E505-Y510 WeakPolarHBondContact O-CB 3.41Å; E505-Y510 PolarHBondContact O-N 3.1Å; Y510-P513 WeakPolarHBondContact OH-CD 3.22Å
511	R	97.2	Very high	92.6	Very high	27 Å²	27	64.4 Å²	64.4	10%	0.102	35%	0.348	C	S	.	.			trans	-132.5	152	172.8	-62.4	-62	-179.6	-93.4	4	108.8	V506 W534	V506-R511 PolarHBondContact O-NH1 2.66Å; R511-W534 HydrophobicContact CB-CE3 4.3Å; R511-W534 PolarHBondContact NE-O 3.35Å; R511-W534 PolarHBondContact NH2-O 3.07Å; R511-W534 VanDerWaalsContact NH2-O 3.15Å
512	L	95.7	Very high	92.6	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.005	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-51.9	132.8	174	-91.2	169.5	0	0	0	110	I481 Y484 P493 Y494 Y527 W534	I481-L512 HydrophobicContact CD1-CD1 3.95Å; Y484-L512 HydrophobicContact CD1-CD1 4.2Å; Y484-L512 HydrophobicContact CD2-CD1 3.93Å; Y484-L512 HydrophobicContact CE1-CD1 4.47Å; Y484-L512 HydrophobicContact CE2-CD1 4.19Å; Y484-L512 HydrophobicContact CE2-CD2 4.03Å; Y484-L512 HydrophobicContact CG-CD1 3.93Å; P493-L512 HydrophobicContact CB-CD1 4.25Å; Y494-L512 HydrophobicContact CD1-CD2 4Å; Y494-L512 HydrophobicContact CD1-CG 3.85Å; Y494-L512 HydrophobicContact CD2-CD1 4.24Å; Y494-L512 HydrophobicContact CD2-CG 4.35Å; Y494-L512 HydrophobicContact CE1-CD1 4.36Å; Y494-L512 HydrophobicContact CE1-CD2 4.32Å; Y494-L512 HydrophobicContact CE1-CG 3.67Å; Y494-L512 HydrophobicContact CE2-CD1 3.98Å; Y494-L512 HydrophobicContact CE2-CG 4.19Å; Y494-L512 HydrophobicContact CG-CD2 4.19Å; Y494-L512 HydrophobicContact CG-CG 4.19Å; L512-Y527 WeakPolarHBondContact O-CE2 3.39Å; L512-Y527 PolarHBondContact O-OH 3.46Å; L512-Y527 VanDerWaalsContact O-OH 3.07Å; L512-W534 HydrophobicContact CB-CH2 3.72Å; L512-W534 HydrophobicContact CB-CZ3 3.82Å; L512-W534 HydrophobicContact CD1-CH2 4.16Å; L512-W534 HydrophobicContact CD1-CZ2 4.3Å
513	P	95.6	Very high	92.6	Very high	73 Å²	73	61.5 Å²	61.5	47%	0.474	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-67.3	163	172.8	30.1	-34.9	0	0	0	110.3	Y510	Y510-P513 WeakPolarHBondContact OH-CD 3.22Å
514	C	96.3	Very high	92.8	Very high	40 Å²	40	65.7 Å²	65.7	27%	0.27	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-57.5	126.3	175.2	-175.1	0	0	0	0	109.6	H516 Y527	C514-H516 PolarHBondContact O-N 3.4Å; C514-H516 VanDerWaalsContact O-N 3.08Å; C514-Y527 VanDerWaalsContact CA-CE2 3.48Å; C514-Y527 HydrophobicContact CB-CD1 3.9Å; C514-Y527 HydrophobicContact CB-CD2 3.85Å; C514-Y527 HydrophobicContact CB-CE1 4.01Å; C514-Y527 HydrophobicContact CB-CE2 3.98Å; C514-Y527 HydrophobicContact CB-CG 3.8Å
515	P	94.6	Very high	92.9	Very high	14 Å²	14	69.3 Å²	69.3	9%	0.091	37%	0.373	C	S	.	.			trans	-75	10.4	-178.6	29.4	-33.7	0	0	0	113.8	Y484 V487 T488 T517 C522	Y484-P515 HydrophobicContact CD2-CB 3.9Å; Y484-P515 HydrophobicContact CD2-CG 3.95Å; Y484-P515 HydrophobicContact CE2-CB 3.7Å; Y484-P515 HydrophobicContact CE2-CG 4.26Å; V487-P515 HydrophobicContact CB-CG 4.49Å; V487-P515 HydrophobicContact CG1-CG 4.1Å; T488-P515 HydrophobicContact CG2-CB 3.47Å; T488-P515 VanDerWaalsContact CG2-CB 3.47Å; T488-P515 HydrophobicContact CG2-CG 4.35Å; P515-T517 PolarHBondContact O-N 3.39Å; P515-C522 HydrophobicContact CG-CB 4.04Å
516	H	92.9	Very high	92.8	Very high	112 Å²	112	66.2 Å²	66.2	52%	0.519	36%	0.359	S	S	.	.			trans	-58	120.8	-175.9	-171.8	100.7	0	0	0	111.3	C514 C522	C514-H516 PolarHBondContact O-N 3.4Å; C514-H516 VanDerWaalsContact O-N 3.08Å; H516-C522 HydrophobicContact CB-CB 4.08Å; H516-C522 PolarHBondContact ND1-N 3.46Å; H516-C522 VanDerWaalsContact ND1-N 3.19Å; H516-C522 PolarHBondContact ND1-O 3.07Å
517	T	90.6	Very high	92.9	Very high	51 Å²	51	67.4 Å²	67.4	31%	0.313	36%	0.362	S	S	.	.			trans	-133.9	161.1	169.8	59.4	0	0	0	0	109	P515 E519 H520	P515-T517 PolarHBondContact O-N 3.39Å; T517-E519 PolarHBondContact O-N 2.83Å; T517-H520 PolarHBondContact N-O 3.28Å; T517-H520 CarbonylContact O-C 3.51Å; T517-H520 PolarHBondContact O-N 3.34Å; T517-H520 VanDerWaalsContact OG1-CB 3.26Å; T517-H520 WeakPolarHBondContact OG1-CB 3.49Å; T517-H520 PolarHBondContact OG1-N 2.93Å
518	P	85.2	Confident	93.1	Very high	120 Å²	120	64.9 Å²	64.9	78%	0.779	35%	0.353	S	S	*	.	S	Bend	trans	-53.8	-34.9	174.6	-26.5	35.7	0	0	0	113.1
519	E	83.5	Confident	93.2	Very high	137 Å²	137	58.5 Å²	58.5	64%	0.64	33%	0.326	S	S	*	.	S	Bend	trans	-81.1	-27.1	178.9	-58.3	77.1	-164.6	0	0	112.2	T517	T517-E519 PolarHBondContact O-N 2.83Å
520	H	83.5	Confident	93.4	Very high	50 Å²	50	56.2 Å²	56.2	23%	0.231	30%	0.303	C	S	.	.	S	Bend	trans	-132.2	76.7	-172.4	-51.3	37.2	0	0	0	109.2	Y489 T517 C522	Y489-H520 AromaticContact CD2-CD2 3.4Å; Y489-H520 WeakPolarHBondContact CD2-CD2 3.32Å; Y489-H520 AromaticContact CD2-NE2 3.68Å; Y489-H520 AromaticContact CE2-CD2 3.94Å; T517-H520 PolarHBondContact N-O 3.28Å; T517-H520 CarbonylContact O-C 3.51Å; T517-H520 PolarHBondContact O-N 3.34Å; T517-H520 VanDerWaalsContact OG1-CB 3.26Å; T517-H520 WeakPolarHBondContact OG1-CB 3.49Å; T517-H520 PolarHBondContact OG1-N 2.93Å; H520-C522 PolarHBondContact O-N 3.23Å
521	P	87.2	Confident	93.4	Very high	66 Å²	66	58 Å²	58	43%	0.429	31%	0.309	S	S	.	.			trans	-67.2	120.9	-177.7	24.6	-32	0	0	0	110.7
522	C	93.9	Very high	93.5	Very high	2 Å²	2	62.6 Å²	62.6	1%	0.014	33%	0.33	C	S	.	.			trans	-108.4	115.7	170.1	-173.7	0	0	0	0	109	V487 P515 H516 H520	V487-C522 HydrophobicContact CG1-CB 3.84Å; P515-C522 HydrophobicContact CG-CB 4.04Å; H516-C522 HydrophobicContact CB-CB 4.08Å; H516-C522 PolarHBondContact ND1-N 3.46Å; H516-C522 VanDerWaalsContact ND1-N 3.19Å; H516-C522 PolarHBondContact ND1-O 3.07Å; H520-C522 PolarHBondContact O-N 3.23Å
523	P	93.1	Very high	93.6	Very high	42 Å²	42	62.6 Å²	62.6	27%	0.273	33%	0.329	S	S	.	.			trans	-65.6	150.4	173	-20.1	31.6	0	0	0	112.1	L392 D525 L526 Y527	L392-P523 HydrophobicContact CD2-CG 3.56Å; P523-D525 VanDerWaalsContact C-N 3.28Å; P523-D525 PolarHBondContact O-N 3.48Å; P523-L526 HydrophobicContact CB-CB 4.46Å; P523-L526 WeakPolarHBondContact O-CB 3.48Å; P523-L526 PolarHBondContact O-N 2.78Å; P523-L526 VanDerWaalsContact O-N 3.1Å; P523-Y527 PolarHBondContact O-N 3.11Å; P523-Y527 VanDerWaalsContact O-N 3.08Å
524	D	93.8	Very high	93.7	Very high	120 Å²	120	59.2 Å²	59.2	64%	0.642	31%	0.307	S	S	*	.	H	α-helix	trans	-59.6	-39.4	178	-71.7	-27	0	0	0	112.1	L526 Y527 N528	D524-L526 VanDerWaalsContact C-N 3.27Å; D524-L526 PolarHBondContact O-N 3.29Å; D524-Y527 PolarHBondContact O-N 3.17Å; D524-N528 WeakPolarHBondContact O-CB 3.25Å; D524-N528 PolarHBondContact O-N 2.95Å; D524-N528 PolarHBondContact O-ND2 2.89Å; D524-N528 VanDerWaalsContact O-ND2 3.12Å
525	D	93.5	Very high	93.8	Very high	114 Å²	114	59.9 Å²	59.9	61%	0.61	31%	0.308	S	S	*	.	H	α-helix	trans	-60.8	-37.8	177.4	-70.2	-29.6	0	0	0	112.2	P523 N528 L529 W554	P523-D525 VanDerWaalsContact C-N 3.28Å; P523-D525 PolarHBondContact O-N 3.48Å; D525-N528 PolarHBondContact O-N 3.3Å; D525-L529 PolarHBondContact O-N 3.15Å; D525-L529 VanDerWaalsContact O-N 3.07Å; D525-W554 HydrophobicContact CB-CH2 3.8Å; D525-W554 HydrophobicContact CB-CZ2 4.37Å
526	L	95.8	Very high	93.9	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-70.6	-43.8	178.8	-179.5	58.9	0	0	0	110.4	L392 I396 M399 M483 V487 P523 D524 N528 L529 M530 F551 W554	L392-L526 HydrophobicContact CD1-CD2 4.35Å; I396-L526 HydrophobicContact CD1-CD1 3.94Å; I396-L526 HydrophobicContact CD1-CD2 4.07Å; M399-L526 HydrophobicContact CE-CD2 4.23Å; M399-L526 HydrophobicContact SD-CD1 3.87Å; M483-L526 HydrophobicContact SD-CD1 4.5Å; V487-L526 HydrophobicContact CG2-CD2 3.54Å; P523-L526 HydrophobicContact CB-CB 4.46Å; P523-L526 WeakPolarHBondContact O-CB 3.48Å; P523-L526 PolarHBondContact O-N 2.78Å; P523-L526 VanDerWaalsContact O-N 3.1Å; D524-L526 VanDerWaalsContact C-N 3.27Å; D524-L526 PolarHBondContact O-N 3.29Å; L526-N528 VanDerWaalsContact C-N 3.3Å; L526-N528 PolarHBondContact O-N 3.49Å; L526-L529 WeakPolarHBondContact O-CB 3.35Å; L526-L529 PolarHBondContact O-N 3.26Å; L526-M530 HydrophobicContact CD2-CE 4.29Å; L526-M530 HydrophobicContact CG-CE 3.94Å; L526-M530 PolarHBondContact O-N 2.92Å; L526-M530 VanDerWaalsContact O-N 3.08Å; L526-F551 HydrophobicContact CD1-CE1 3.76Å; L526-F551 HydrophobicContact CD1-CZ 4.21Å; L526-W554 HydrophobicContact CB-CH2 3.88Å; L526-W554 HydrophobicContact CB-CZ2 3.89Å; L526-W554 HydrophobicContact CD1-CH2 4.4Å
527	Y	97.4	Very high	94.1	Very high	34 Å²	34	63.7 Å²	63.7	13%	0.133	33%	0.33	C	S	.	.	H	α-helix	trans	-64.1	-36.9	174.9	178.6	-115.9	0	0	0	112	L512 C514 P523 D524 L529 M530 R531 W534	L512-Y527 WeakPolarHBondContact O-CE2 3.39Å; L512-Y527 PolarHBondContact O-OH 3.46Å; L512-Y527 VanDerWaalsContact O-OH 3.07Å; C514-Y527 VanDerWaalsContact CA-CE2 3.48Å; C514-Y527 HydrophobicContact CB-CD1 3.9Å; C514-Y527 HydrophobicContact CB-CD2 3.85Å; C514-Y527 HydrophobicContact CB-CE1 4.01Å; C514-Y527 HydrophobicContact CB-CE2 3.98Å; C514-Y527 HydrophobicContact CB-CG 3.8Å; P523-Y527 PolarHBondContact O-N 3.11Å; P523-Y527 VanDerWaalsContact O-N 3.08Å; D524-Y527 PolarHBondContact O-N 3.17Å; Y527-L529 VanDerWaalsContact C-N 3.29Å; Y527-L529 PolarHBondContact O-N 2.64Å; Y527-M530 HydrophobicContact CD2-SD 4.28Å; Y527-M530 WeakPolarHBondContact O-CB 3.35Å; Y527-M530 PolarHBondContact O-N 3.45Å; Y527-M530 VanDerWaalsContact O-N 3.16Å; Y527-R531 HydrophobicContact CD1-CG 4.25Å; Y527-R531 HydrophobicContact CD2-CG 4.45Å; Y527-R531 HydrophobicContact CE1-CG 3.88Å; Y527-R531 HydrophobicContact CE2-CG 4.08Å; Y527-R531 VanDerWaalsContact O-CG 3.32Å; Y527-R531 WeakPolarHBondContact O-CG 3.34Å; Y527-R531 PolarHBondContact O-N 3.17Å; Y527-R531 PolarHBondContact OH-NH1 3.09Å; Y527-W534 HydrophobicContact CE2-CZ3 4.33Å
528	N	97.4	Very high	94.5	Very high	79 Å²	79	62.9 Å²	62.9	42%	0.422	33%	0.325	S	S	.	.	H	α-helix	trans	-62.4	-35.7	174.1	-74	-32	0	0	0	111.9	D524 D525 L526 R531 K532	D524-N528 WeakPolarHBondContact O-CB 3.25Å; D524-N528 PolarHBondContact O-N 2.95Å; D524-N528 PolarHBondContact O-ND2 2.89Å; D524-N528 VanDerWaalsContact O-ND2 3.12Å; D525-N528 PolarHBondContact O-N 3.3Å; L526-N528 VanDerWaalsContact C-N 3.3Å; L526-N528 PolarHBondContact O-N 3.49Å; N528-R531 PolarHBondContact O-N 2.94Å; N528-K532 WeakPolarHBondContact O-CG 3.49Å; N528-K532 PolarHBondContact O-N 3.41Å
529	L	97.6	Very high	95.1	Very high	17 Å²	17	63.1 Å²	63.1	9%	0.089	32%	0.316	C	S	.	.	H	α-helix	trans	-65.1	-44.6	171	-72.5	175.2	0	0	0	112.3	D525 L526 Y527 R531 K532 C533 L547 V550 F551 W554	D525-L529 PolarHBondContact O-N 3.15Å; D525-L529 VanDerWaalsContact O-N 3.07Å; L526-L529 WeakPolarHBondContact O-CB 3.35Å; L526-L529 PolarHBondContact O-N 3.26Å; Y527-L529 VanDerWaalsContact C-N 3.29Å; Y527-L529 PolarHBondContact O-N 2.64Å; L529-R531 VanDerWaalsContact C-N 3.27Å; L529-R531 PolarHBondContact O-N 3.41Å; L529-K532 HydrophobicContact CD2-CD 4.48Å; L529-K532 WeakPolarHBondContact O-CB 3.35Å; L529-K532 PolarHBondContact O-N 3.25Å; L529-C533 PolarHBondContact O-N 3.39Å; L529-C533 PolarHBondContact O-SG 3.41Å; L529-L547 HydrophobicContact CD2-CD2 4.39Å; L529-V550 HydrophobicContact CD1-CG1 3.74Å; L529-V550 HydrophobicContact CD2-CG1 4.32Å; L529-F551 HydrophobicContact CD1-CE1 3.91Å; L529-F551 HydrophobicContact CD1-CZ 3.92Å; L529-W554 HydrophobicContact CD1-CH2 4.13Å; L529-W554 HydrophobicContact CD1-CZ3 3.57Å
530	M	98.4	Very high	95.8	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-56.9	-45	174.3	-62.1	174.2	-170.3	0	0	110.6	M483 V487 L526 Y527 K532 C533 W534	M483-M530 HydrophobicContact CB-CE 3.63Å; M483-M530 HydrophobicContact CB-CG 3.87Å; M483-M530 HydrophobicContact CB-SD 4.35Å; M483-M530 HydrophobicContact SD-CG 3.77Å; V487-M530 HydrophobicContact CB-CE 4.48Å; V487-M530 HydrophobicContact CG2-CE 3.85Å; L526-M530 HydrophobicContact CD2-CE 4.29Å; L526-M530 HydrophobicContact CG-CE 3.94Å; L526-M530 PolarHBondContact O-N 2.92Å; L526-M530 VanDerWaalsContact O-N 3.08Å; Y527-M530 HydrophobicContact CD2-SD 4.28Å; Y527-M530 WeakPolarHBondContact O-CB 3.35Å; Y527-M530 PolarHBondContact O-N 3.45Å; Y527-M530 VanDerWaalsContact O-N 3.16Å; M530-K532 PolarHBondContact O-N 3.27Å; M530-C533 WeakPolarHBondContact O-CA 3.5Å; M530-C533 WeakPolarHBondContact O-CB 3.46Å; M530-C533 PolarHBondContact O-N 2.83Å; M530-C533 VanDerWaalsContact O-N 3.09Å; M530-W534 HydrophobicContact CB-CE3 4.28Å; M530-W534 HydrophobicContact CB-CH2 3.74Å; M530-W534 HydrophobicContact CB-CZ2 4.04Å; M530-W534 HydrophobicContact CB-CZ3 3.87Å; M530-W534 HydrophobicContact CG-CH2 4.39Å; M530-W534 VanDerWaalsContact O-CD2 3.28Å; M530-W534 PolarHBondContact O-N 2.74Å; M530-W534 HydrophobicContact SD-CH2 4.19Å
531	R	98.3	Very high	96.5	Very high	118 Å²	118	57.5 Å²	57.5	45%	0.445	29%	0.292	S	S	.	.	H	α-helix	trans	-61.6	-38.8	177.5	-71.4	-67.9	-62.6	-118.2	-4.6	113.1	Y527 N528 L529 C533 W534 D535	Y527-R531 HydrophobicContact CD1-CG 4.25Å; Y527-R531 HydrophobicContact CD2-CG 4.45Å; Y527-R531 HydrophobicContact CE1-CG 3.88Å; Y527-R531 HydrophobicContact CE2-CG 4.08Å; Y527-R531 VanDerWaalsContact O-CG 3.32Å; Y527-R531 WeakPolarHBondContact O-CG 3.34Å; Y527-R531 PolarHBondContact O-N 3.17Å; Y527-R531 PolarHBondContact OH-NH1 3.09Å; N528-R531 PolarHBondContact O-N 2.94Å; L529-R531 VanDerWaalsContact C-N 3.27Å; L529-R531 PolarHBondContact O-N 3.41Å; R531-C533 VanDerWaalsContact C-N 3.34Å; R531-W534 CarbonylContact O-C 3.41Å; R531-W534 PolarHBondContact O-N 3.35Å; R531-D535 PolarHBondContact O-N 3.01Å
532	K	98.3	Very high	97	Very high	125 Å²	125	55.5 Å²	55.5	54%	0.543	28%	0.279	S	S	.	.	H	α-helix	trans	-64.7	-38.1	172.7	-73.2	172.5	-177.4	176.6	0	111.8	N528 L529 M530 W534 D535	N528-K532 WeakPolarHBondContact O-CG 3.49Å; N528-K532 PolarHBondContact O-N 3.41Å; L529-K532 HydrophobicContact CD2-CD 4.48Å; L529-K532 WeakPolarHBondContact O-CB 3.35Å; L529-K532 PolarHBondContact O-N 3.25Å; M530-K532 PolarHBondContact O-N 3.27Å; K532-W534 PolarHBondContact O-N 3.37Å; K532-D535 PolarHBondContact O-N 2.99Å
533	C	98.7	Very high	97.2	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-65.4	-30.1	174.8	-63.1	0	0	0	0	112.3	V476 W477 L529 M530 R531 R541	V476-C533 HydrophobicContact CG1-CB 4.1Å; V476-C533 WeakPolarHBondContact O-CB 3.47Å; W477-C533 WeakPolarHBondContact CA-O 3.26Å; L529-C533 PolarHBondContact O-N 3.39Å; L529-C533 PolarHBondContact O-SG 3.41Å; M530-C533 WeakPolarHBondContact O-CA 3.5Å; M530-C533 WeakPolarHBondContact O-CB 3.46Å; M530-C533 PolarHBondContact O-N 2.83Å; M530-C533 VanDerWaalsContact O-N 3.09Å; R531-C533 VanDerWaalsContact C-N 3.34Å; C533-R541 VanDerWaalsContact O-CD 3.25Å; C533-R541 WeakPolarHBondContact O-CD 3.5Å; C533-R541 WeakPolarHBondContact O-CG 3.33Å
534	W	98.4	Very high	97.5	Very high	3 Å²	3	56.1 Å²	56.1	1%	0.011	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	23.4	178.4	-51.2	-38.8	0	0	0	114.6	W477 G480 I481 R511 L512 Y527 M530 R531 K532 A536	W477-W534 AromaticContact CD2-CD1 3.81Å; W477-W534 AromaticContact CE2-CD1 3.89Å; W477-W534 HydrophobicContact CE3-CB 4.11Å; W477-W534 HydrophobicContact CH2-CB 4.07Å; W477-W534 HydrophobicContact CZ2-CB 4.49Å; W477-W534 HydrophobicContact CZ3-CB 3.88Å; W477-W534 WeakPolarHBondContact CZ3-O 3.38Å; W477-W534 PolarHBondContact O-NE1 2.73Å; G480-W534 VanDerWaalsContact C-CZ2 3.48Å; G480-W534 WeakPolarHBondContact O-CZ2 3.32Å; I481-W534 HydrophobicContact CD1-CZ2 3.66Å; I481-W534 HydrophobicContact CG1-CZ2 4.43Å; R511-W534 HydrophobicContact CB-CE3 4.3Å; R511-W534 PolarHBondContact NE-O 3.35Å; R511-W534 PolarHBondContact NH2-O 3.07Å; R511-W534 VanDerWaalsContact NH2-O 3.15Å; L512-W534 HydrophobicContact CB-CH2 3.72Å; L512-W534 HydrophobicContact CB-CZ3 3.82Å; L512-W534 HydrophobicContact CD1-CH2 4.16Å; L512-W534 HydrophobicContact CD1-CZ2 4.3Å; Y527-W534 HydrophobicContact CE2-CZ3 4.33Å; M530-W534 HydrophobicContact CB-CE3 4.28Å; M530-W534 HydrophobicContact CB-CH2 3.74Å; M530-W534 HydrophobicContact CB-CZ2 4.04Å; M530-W534 HydrophobicContact CB-CZ3 3.87Å; M530-W534 HydrophobicContact CG-CH2 4.39Å; M530-W534 VanDerWaalsContact O-CD2 3.28Å; M530-W534 PolarHBondContact O-N 2.74Å; M530-W534 HydrophobicContact SD-CH2 4.19Å; R531-W534 CarbonylContact O-C 3.41Å; R531-W534 PolarHBondContact O-N 3.35Å; K532-W534 PolarHBondContact O-N 3.37Å; W534-A536 PolarHBondContact O-N 3.18Å
535	D	98.3	Very high	97.6	Very high	53 Å²	53	53.7 Å²	53.7	28%	0.283	26%	0.264	S	S	.	.			trans	-57.8	137	170.6	-163.5	-52.9	0	0	0	109.6	R531 K532 R537 N540 R541	R531-D535 PolarHBondContact O-N 3.01Å; K532-D535 PolarHBondContact O-N 2.99Å; D535-R537 PolarHBondContact O-N 3.37Å; D535-R537 PolarHBondContact OD1-N 2.99Å; D535-N540 HydrophobicContact CB-CB 3.94Å; D535-N540 VanDerWaalsContact CG-CB 3.4Å; D535-N540 PolarHBondContact OD1-ND2 3.32Å; D535-N540 VanDerWaalsContact OD2-CB 3.27Å; D535-N540 WeakPolarHBondContact OD2-CB 3.39Å; D535-N540 PolarHBondContact OD2-ND2 3.43Å; D535-R541 HydrophobicContact CB-CG 4.11Å; D535-R541 PolarHBondContact O-NE 3.34Å; D535-R541 PolarHBondContact O-NH2 2.88Å
536	A	96.8	Very high	97.8	Very high	65 Å²	65	50.5 Å²	50.5	54%	0.537	25%	0.25	S	S	.	.	S	Bend	trans	-61.2	-33.3	179.1	0	0	0	0	0	111.6	W534 P538	W534-A536 PolarHBondContact O-N 3.18Å; A536-P538 WeakPolarHBondContact O-CD 3.46Å
537	R	97	Very high	97.9	Very high	141 Å²	141	50.6 Å²	50.6	53%	0.532	25%	0.251	S	S	.	.	S	Bend	trans	-89.3	116	176.3	-72.9	-173.5	-66.6	169.1	-4.8	110.2	D535 E539 N540	D535-R537 PolarHBondContact O-N 3.37Å; D535-R537 PolarHBondContact OD1-N 2.99Å; R537-E539 HydrophobicContact CB-CG 4.49Å; R537-E539 WeakPolarHBondContact CD-OE1 3.14Å; R537-E539 PolarHBondContact O-N 3.37Å; R537-N540 HydrophobicContact CB-CB 4.3Å; R537-N540 PolarHBondContact NE-ND2 2.99Å; R537-N540 VanDerWaalsContact NE-ND2 3.11Å; R537-N540 PolarHBondContact NH2-ND2 2.88Å; R537-N540 WeakPolarHBondContact O-CB 3.45Å; R537-N540 PolarHBondContact O-N 3.31Å; R537-N540 VanDerWaalsContact O-N 3.09Å
538	P	97.9	Very high	97.9	Very high	34 Å²	34	50.4 Å²	50.4	22%	0.221	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-55.2	-36.3	-178.4	-26.6	35.3	0	0	0	114.1	E463 K473 A536 N540 R541	E463-P538 HydrophobicContact CG-CG 4.06Å; K473-P538 HydrophobicContact CB-CB 3.84Å; K473-P538 WeakPolarHBondContact CD-O 3.35Å; K473-P538 HydrophobicContact CG-CB 4.44Å; K473-P538 WeakPolarHBondContact CG-O 3.42Å; A536-P538 WeakPolarHBondContact O-CD 3.46Å; P538-N540 VanDerWaalsContact C-N 3.26Å; P538-N540 PolarHBondContact O-N 3.23Å; P538-R541 WeakPolarHBondContact O-CB 3.31Å; P538-R541 PolarHBondContact O-N 3.25Å
539	E	97.2	Very high	97.6	Very high	126 Å²	126	49.4 Å²	49.4	59%	0.589	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-66.4	-24.1	-179.6	65.7	-84.6	-164.5	0	0	114	R537	R537-E539 HydrophobicContact CB-CG 4.49Å; R537-E539 WeakPolarHBondContact CD-OE1 3.14Å; R537-E539 PolarHBondContact O-N 3.37Å
540	N	98.3	Very high	97.4	Very high	66 Å²	66	51.5 Å²	51.5	35%	0.353	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-81.7	-17	177	-76.8	-1.5	0	0	0	113.2	D535 R537 P538	D535-N540 HydrophobicContact CB-CB 3.94Å; D535-N540 VanDerWaalsContact CG-CB 3.4Å; D535-N540 PolarHBondContact OD1-ND2 3.32Å; D535-N540 VanDerWaalsContact OD2-CB 3.27Å; D535-N540 WeakPolarHBondContact OD2-CB 3.39Å; D535-N540 PolarHBondContact OD2-ND2 3.43Å; R537-N540 HydrophobicContact CB-CB 4.3Å; R537-N540 PolarHBondContact NE-ND2 2.99Å; R537-N540 VanDerWaalsContact NE-ND2 3.11Å; R537-N540 PolarHBondContact NH2-ND2 2.88Å; R537-N540 WeakPolarHBondContact O-CB 3.45Å; R537-N540 PolarHBondContact O-N 3.31Å; R537-N540 VanDerWaalsContact O-N 3.09Å; P538-N540 VanDerWaalsContact C-N 3.26Å; P538-N540 PolarHBondContact O-N 3.23Å
541	R	98.6	Very high	97.2	Very high	3 Å²	3	51.5 Å²	51.5	1%	0.011	26%	0.258	C	S	.	.	S	Bend	trans	-67.9	146.2	179.8	-57.2	175	-168.7	153.5	8.1	108.9	E463 K473 V476 C533 D535 P538	E463-R541 IonicContact OE1-CZ 3.47Å; E463-R541 IonicContact OE1-NH1 2.68Å; E463-R541 PolarHBondContact OE1-NH1 3.05Å; E463-R541 IonicContact OE1-NH2 3.38Å; E463-R541 PolarHBondContact OE1-NH2 3.15Å; E463-R541 IonicContact OE2-CZ 3.67Å; E463-R541 IonicContact OE2-NH1 3.61Å; E463-R541 IonicContact OE2-NH2 2.81Å; E463-R541 PolarHBondContact OE2-NH2 3.28Å; K473-R541 HydrophobicContact CD-CB 4.31Å; K473-R541 PolarHBondContact NZ-O 3.14Å; K473-R541 WeakPolarHBondContact O-CD 3.49Å; K473-R541 PolarHBondContact O-NH1 3.5Å; V476-R541 HydrophobicContact CB-CB 4.45Å; V476-R541 HydrophobicContact CG1-CB 3.87Å; C533-R541 VanDerWaalsContact O-CD 3.25Å; C533-R541 WeakPolarHBondContact O-CD 3.5Å; C533-R541 WeakPolarHBondContact O-CG 3.33Å; D535-R541 HydrophobicContact CB-CG 4.11Å; D535-R541 PolarHBondContact O-NE 3.34Å; D535-R541 PolarHBondContact O-NH2 2.88Å; P538-R541 WeakPolarHBondContact O-CB 3.31Å; P538-R541 PolarHBondContact O-N 3.25Å
542	P	98.6	Very high	96.7	Very high	24 Å²	24	47.1 Å²	47.1	16%	0.156	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-62	169.7	180	26.3	-34.4	0	0	0	112.4	K473 V476 S546 L547	K473-P542 PolarHBondContact NZ-O 2.99Å; V476-P542 HydrophobicContact CG1-CG 4Å; P542-S546 WeakPolarHBondContact CB-OG 3.36Å; P542-L547 HydrophobicContact CB-CD1 4.42Å; P542-L547 HydrophobicContact CB-CD2 4.38Å; P542-L547 HydrophobicContact CB-CG 4.05Å; P542-L547 HydrophobicContact CG-CD1 3.91Å; P542-L547 HydrophobicContact CG-CD2 3.85Å; P542-L547 HydrophobicContact CG-CG 3.83Å
543	T	98.5	Very high	96.1	Very high	56 Å²	56	45 Å²	45	34%	0.344	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-85.3	159.9	166.2	56.9	0	0	0	0	109	R545 S546 L547	T543-R545 PolarHBondContact O-N 3.28Å; T543-S546 PolarHBondContact N-OG 3.28Å; T543-S546 PolarHBondContact O-N 3.01Å; T543-S546 PolarHBondContact O-OG 3.45Å; T543-S546 VanDerWaalsContact O-OG 3.11Å; T543-S546 PolarHBondContact OG1-N 3.4Å; T543-S546 PolarHBondContact OG1-OG 2.81Å; T543-L547 WeakPolarHBondContact O-CG 3.47Å; T543-L547 PolarHBondContact O-N 3.38Å; T543-L547 VanDerWaalsContact O-N 3.15Å
544	F	98.5	Very high	95.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-67.1	-31.9	173.5	-83.2	-69.8	0	0	0	111.5	M406 E410 L419 I472 D475 V476 F479 S546 L547 Y548	M406-F544 HydrophobicContact CB-CB 4.18Å; M406-F544 HydrophobicContact CB-CD1 3.28Å; M406-F544 HydrophobicContact CB-CD2 3.77Å; M406-F544 HydrophobicContact CB-CE1 3.38Å; M406-F544 HydrophobicContact CB-CE2 3.87Å; M406-F544 HydrophobicContact CB-CG 3.47Å; M406-F544 VanDerWaalsContact CB-CG 3.47Å; M406-F544 HydrophobicContact CB-CZ 3.67Å; M406-F544 HydrophobicContact CE-CD2 4.35Å; M406-F544 HydrophobicContact CE-CE1 4.44Å; M406-F544 HydrophobicContact CE-CE2 3.6Å; M406-F544 HydrophobicContact CE-CZ 3.64Å; M406-F544 HydrophobicContact CG-CD1 4.14Å; M406-F544 HydrophobicContact CG-CE1 3.73Å; M406-F544 HydrophobicContact CG-CE2 4.44Å; M406-F544 HydrophobicContact CG-CZ 3.9Å; E410-F544 PolarHBondContact OE2-N 3.03Å; L419-F544 HydrophobicContact CD2-CE1 4.49Å; L419-F544 HydrophobicContact CD2-CZ 4.19Å; I472-F544 HydrophobicContact CD1-CD2 3.73Å; I472-F544 HydrophobicContact CD1-CE2 3.66Å; I472-F544 HydrophobicContact CG1-CD2 3.79Å; I472-F544 HydrophobicContact CG1-CE2 3.91Å; D475-F544 HydrophobicContact CB-CE2 3.89Å; D475-F544 HydrophobicContact CB-CZ 4.02Å; V476-F544 HydrophobicContact CB-CZ 4.47Å; V476-F544 HydrophobicContact CG2-CD2 3.87Å; V476-F544 HydrophobicContact CG2-CE1 4.44Å; V476-F544 HydrophobicContact CG2-CE2 3.58Å; V476-F544 HydrophobicContact CG2-CG 4.41Å; V476-F544 HydrophobicContact CG2-CZ 3.9Å; F479-F544 HydrophobicContact CB-CE1 3.69Å; F479-F544 HydrophobicContact CB-CZ 4.01Å; F479-F544 HydrophobicContact CD1-CD1 4.3Å; F479-F544 AromaticContact CD1-CE1 3.76Å; F479-F544 HydrophobicContact CD1-CE1 3.76Å; F479-F544 HydrophobicContact CD2-CE1 4.36Å; F479-F544 HydrophobicContact CE1-CE1 4.44Å; F479-F544 AromaticContact CG-CE1 3.7Å; F479-F544 HydrophobicContact CG-CE1 3.7Å; F479-F544 HydrophobicContact CG-CZ 4.5Å; F544-S546 PolarHBondContact O-N 3.44Å; F544-L547 HydrophobicContact CD1-CD1 4.11Å; F544-L547 HydrophobicContact CE1-CD1 4.46Å; F544-L547 PolarHBondContact O-N 2.68Å; F544-Y548 WeakPolarHBondContact O-CB 3.39Å; F544-Y548 PolarHBondContact O-N 2.97Å
545	R	96.8	Very high	94	Very high	69 Å²	69	49.6 Å²	49.6	26%	0.26	26%	0.264	S	S	.	.	H	α-helix	trans	-58.5	-47.4	173.2	-177.1	58.7	-168.8	-130.3	-9.7	112.4	D82 E410 T543 L547 Y548 D549	D82-R545 IonicContact OD1-CZ 3.07Å; D82-R545 IonicContact OD1-NH2 2.73Å; D82-R545 PolarHBondContact OD1-NH2 2.95Å; E410-R545 PolarHBondContact OE2-N 3.03Å; T543-R545 PolarHBondContact O-N 3.28Å; R545-L547 VanDerWaalsContact C-N 3.33Å; R545-L547 PolarHBondContact O-N 2.75Å; R545-Y548 PolarHBondContact O-N 3.38Å; R545-D549 IonicContact CZ-OD1 2.86Å; R545-D549 IonicContact NE-OD1 2.74Å; R545-D549 PolarHBondContact NE-OD1 3.21Å; R545-D549 IonicContact NE-OD2 3.17Å; R545-D549 PolarHBondContact NE-OD2 3.46Å; R545-D549 IonicContact NH2-OD1 2.96Å; R545-D549 VanDerWaalsContact O-CG 3.25Å; R545-D549 PolarHBondContact O-N 3.29Å
546	S	97.2	Very high	91.8	Very high	47 Å²	47	49.3 Å²	49.3	33%	0.329	26%	0.264	S	S	.	.	H	α-helix	trans	-68.4	-34.3	-179.6	71.7	0	0	0	0	112.5	P542 T543 F544 V550	P542-S546 WeakPolarHBondContact CB-OG 3.36Å; T543-S546 PolarHBondContact N-OG 3.28Å; T543-S546 PolarHBondContact O-N 3.01Å; T543-S546 PolarHBondContact O-OG 3.45Å; T543-S546 VanDerWaalsContact O-OG 3.11Å; T543-S546 PolarHBondContact OG1-N 3.4Å; T543-S546 PolarHBondContact OG1-OG 2.81Å; F544-S546 PolarHBondContact O-N 3.44Å; S546-V550 VanDerWaalsContact O-CG2 3.27Å; S546-V550 WeakPolarHBondContact O-CG2 3.27Å; S546-V550 PolarHBondContact O-N 3.48Å; S546-V550 VanDerWaalsContact O-N 3.11Å
547	L	97.9	Very high	89	Confident	2 Å²	2	54.7 Å²	54.7	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-63.1	-46.6	172.2	-73	164.7	0	0	0	111.7	A403 V476 F479 M483 L529 P542 T543 F544 R545 D549 V550 F551	A403-L547 HydrophobicContact CB-CB 4.47Å; V476-L547 HydrophobicContact CG1-CD1 4.18Å; F479-L547 HydrophobicContact CD1-CD1 3.71Å; F479-L547 HydrophobicContact CE1-CB 4.24Å; F479-L547 HydrophobicContact CE1-CD1 3.94Å; F479-L547 HydrophobicContact CE1-CG 4.48Å; M483-L547 HydrophobicContact CE-CD2 4.04Å; L529-L547 HydrophobicContact CD2-CD2 4.39Å; P542-L547 HydrophobicContact CB-CD1 4.42Å; P542-L547 HydrophobicContact CB-CD2 4.38Å; P542-L547 HydrophobicContact CB-CG 4.05Å; P542-L547 HydrophobicContact CG-CD1 3.91Å; P542-L547 HydrophobicContact CG-CD2 3.85Å; P542-L547 HydrophobicContact CG-CG 3.83Å; T543-L547 WeakPolarHBondContact O-CG 3.47Å; T543-L547 PolarHBondContact O-N 3.38Å; T543-L547 VanDerWaalsContact O-N 3.15Å; F544-L547 HydrophobicContact CD1-CD1 4.11Å; F544-L547 HydrophobicContact CE1-CD1 4.46Å; F544-L547 PolarHBondContact O-N 2.68Å; R545-L547 VanDerWaalsContact C-N 3.33Å; R545-L547 PolarHBondContact O-N 2.75Å; L547-D549 PolarHBondContact O-N 3.11Å; L547-V550 PolarHBondContact O-N 3.34Å; L547-F551 HydrophobicContact CB-CE2 4.43Å; L547-F551 HydrophobicContact CD2-CE2 4.46Å; L547-F551 WeakPolarHBondContact O-CD2 3.32Å; L547-F551 PolarHBondContact O-N 2.94Å
548	Y	96	Very high	85.9	Confident	30 Å²	30	54 Å²	54	12%	0.118	29%	0.29	C	S	.	.	H	α-helix	trans	-58.3	-48.2	176.2	171.1	-112.3	0	0	0	111.6	A400 F544 R545 V550 F551 E552	A400-Y548 WeakPolarHBondContact O-CD2 3.47Å; F544-Y548 WeakPolarHBondContact O-CB 3.39Å; F544-Y548 PolarHBondContact O-N 2.97Å; R545-Y548 PolarHBondContact O-N 3.38Å; Y548-V550 VanDerWaalsContact C-N 3.27Å; Y548-V550 PolarHBondContact O-N 3.05Å; Y548-F551 PolarHBondContact O-N 3.09Å; Y548-F551 VanDerWaalsContact O-N 3.15Å; Y548-E552 HydrophobicContact CE2-CB 4.38Å; Y548-E552 WeakPolarHBondContact O-CB 3.49Å; Y548-E552 PolarHBondContact O-N 3.39Å
549	D	92.2	Very high	82.9	Confident	58 Å²	58	57.8 Å²	57.8	31%	0.31	31%	0.305	S	S	.	.	H	α-helix	trans	-61.1	-36.2	180	-66.2	-26.7	0	0	0	111.9	R545 L547 N553	R545-D549 IonicContact CZ-OD1 2.86Å; R545-D549 IonicContact NE-OD1 2.74Å; R545-D549 PolarHBondContact NE-OD1 3.21Å; R545-D549 IonicContact NE-OD2 3.17Å; R545-D549 PolarHBondContact NE-OD2 3.46Å; R545-D549 IonicContact NH2-OD1 2.96Å; R545-D549 VanDerWaalsContact O-CG 3.25Å; R545-D549 PolarHBondContact O-N 3.29Å; L547-D549 PolarHBondContact O-N 3.11Å; D549-N553 PolarHBondContact O-N 3.42Å; D549-N553 PolarHBondContact O-ND2 2.95Å
550	V	94.3	Very high	80.5	Confident	61 Å²	61	55.8 Å²	55.8	37%	0.37	31%	0.309	S	S	.	.	H	α-helix	trans	-67.7	-43.9	175.3	172	0	0	0	0	111.6	L529 S546 L547 Y548 N553 W554	L529-V550 HydrophobicContact CD1-CG1 3.74Å; L529-V550 HydrophobicContact CD2-CG1 4.32Å; S546-V550 VanDerWaalsContact O-CG2 3.27Å; S546-V550 WeakPolarHBondContact O-CG2 3.27Å; S546-V550 PolarHBondContact O-N 3.48Å; S546-V550 VanDerWaalsContact O-N 3.11Å; L547-V550 PolarHBondContact O-N 3.34Å; Y548-V550 VanDerWaalsContact C-N 3.27Å; Y548-V550 PolarHBondContact O-N 3.05Å; V550-N553 CarbonylContact O-C 3.56Å; V550-N553 PolarHBondContact O-N 2.83Å; V550-W554 HydrophobicContact CG1-CE3 3.92Å; V550-W554 HydrophobicContact CG1-CZ3 3.9Å; V550-W554 PolarHBondContact O-N 3.28Å
551	F	93.9	Very high	78.4	Confident	0 Å²	0	57 Å²	57	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-72.7	-37.2	-179.8	-68.7	-57.8	0	0	0	113.2	R187 I396 M399 A400 A403 F479 M483 L526 L529 L547 Y548 N553 W554	R187-F551 PolarHBondContact NE-O 3.2Å; R187-F551 VanDerWaalsContact NE-O 3.08Å; R187-F551 PolarHBondContact NH2-O 3.36Å; I396-F551 HydrophobicContact CD1-CD1 4.09Å; I396-F551 HydrophobicContact CD1-CE1 4.03Å; I396-F551 HydrophobicContact CG2-CD1 4.17Å; M399-F551 HydrophobicContact CB-CD1 4.2Å; M399-F551 HydrophobicContact CB-CD2 4.19Å; M399-F551 HydrophobicContact CB-CE1 4.11Å; M399-F551 HydrophobicContact CB-CE2 4.12Å; M399-F551 HydrophobicContact CB-CG 4.25Å; M399-F551 HydrophobicContact CB-CZ 4.07Å; M399-F551 HydrophobicContact SD-CE1 3.88Å; M399-F551 HydrophobicContact SD-CZ 4.05Å; A400-F551 HydrophobicContact CB-CB 3.64Å; A403-F551 HydrophobicContact CB-CD2 4.28Å; F479-F551 AromaticContact CE1-CE2 3.78Å; F479-F551 HydrophobicContact CE1-CE2 3.78Å; F479-F551 HydrophobicContact CZ-CD2 4.49Å; F479-F551 AromaticContact CZ-CE2 3.89Å; F479-F551 HydrophobicContact CZ-CE2 3.89Å; M483-F551 HydrophobicContact CE-CE2 3.82Å; M483-F551 HydrophobicContact CE-CZ 3.69Å; M483-F551 HydrophobicContact SD-CZ 3.94Å; L526-F551 HydrophobicContact CD1-CE1 3.76Å; L526-F551 HydrophobicContact CD1-CZ 4.21Å; L529-F551 HydrophobicContact CD1-CE1 3.91Å; L529-F551 HydrophobicContact CD1-CZ 3.92Å; L547-F551 HydrophobicContact CB-CE2 4.43Å; L547-F551 HydrophobicContact CD2-CE2 4.46Å; L547-F551 WeakPolarHBondContact O-CD2 3.32Å; L547-F551 PolarHBondContact O-N 2.94Å; Y548-F551 PolarHBondContact O-N 3.09Å; Y548-F551 VanDerWaalsContact O-N 3.15Å; F551-N553 PolarHBondContact O-N 3.2Å; F551-W554 HydrophobicContact CD1-CE3 4.19Å; F551-W554 VanDerWaalsContact O-CB 3.26Å; F551-W554 WeakPolarHBondContact O-CB 3.26Å; F551-W554 PolarHBondContact O-N 3.34Å; F551-W554 VanDerWaalsContact O-N 3.15Å
552	E	87.6	Confident	76.5	Confident	26 Å²	26	57.2 Å²	57.2	12%	0.121	31%	0.314	C	S	.	.	H	α-helix	trans	-60.3	-38.8	175.7	-176.2	60.8	-162.3	0	0	110.6	G185 R186 R187 Y548	G185-E552 WeakPolarHBondContact CA-OE1 3.29Å; R186-E552 PolarHBondContact N-OE1 2.91Å; R187-E552 PolarHBondContact N-OE1 2.83Å; R187-E552 VanDerWaalsContact N-OE1 3.13Å; R187-E552 PolarHBondContact NH2-O 2.82Å; Y548-E552 HydrophobicContact CE2-CB 4.38Å; Y548-E552 WeakPolarHBondContact O-CB 3.49Å; Y548-E552 PolarHBondContact O-N 3.39Å
553	N	85.8	Confident	74.8	Confident	82 Å²	82	59.1 Å²	59.1	44%	0.439	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	11.5	178.7	-60.4	-62.1	0	0	0	114.1	D549 V550 F551 S555 T556	D549-N553 PolarHBondContact O-N 3.42Å; D549-N553 PolarHBondContact O-ND2 2.95Å; V550-N553 CarbonylContact O-C 3.56Å; V550-N553 PolarHBondContact O-N 2.83Å; F551-N553 PolarHBondContact O-N 3.2Å; N553-S555 PolarHBondContact O-N 3.17Å; N553-T556 HydrophobicContact CB-CG2 4.27Å; N553-T556 PolarHBondContact O-N 3.15Å; N553-T556 PolarHBondContact O-OG1 2.77Å
554	W	83.8	Confident	72.6	Confident	38 Å²	38	61.8 Å²	61.8	14%	0.144	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	137.5	173	-157.1	-94.1	0	0	0	108.7	R187 I396 D525 L526 L529 V550 F551 T556	R187-W554 PolarHBondContact NH2-O 3.04Å; I396-W554 HydrophobicContact CD1-CD2 3.99Å; I396-W554 HydrophobicContact CD1-CG 4.24Å; I396-W554 HydrophobicContact CD1-CZ2 4.08Å; I396-W554 HydrophobicContact CG1-CG 4.3Å; I396-W554 HydrophobicContact CG2-CB 3.6Å; I396-W554 HydrophobicContact CG2-CD2 4.29Å; I396-W554 HydrophobicContact CG2-CG 3.59Å; D525-W554 HydrophobicContact CB-CH2 3.8Å; D525-W554 HydrophobicContact CB-CZ2 4.37Å; L526-W554 HydrophobicContact CB-CH2 3.88Å; L526-W554 HydrophobicContact CB-CZ2 3.89Å; L526-W554 HydrophobicContact CD1-CH2 4.4Å; L529-W554 HydrophobicContact CD1-CH2 4.13Å; L529-W554 HydrophobicContact CD1-CZ3 3.57Å; V550-W554 HydrophobicContact CG1-CE3 3.92Å; V550-W554 HydrophobicContact CG1-CZ3 3.9Å; V550-W554 PolarHBondContact O-N 3.28Å; F551-W554 HydrophobicContact CD1-CE3 4.19Å; F551-W554 VanDerWaalsContact O-CB 3.26Å; F551-W554 WeakPolarHBondContact O-CB 3.26Å; F551-W554 PolarHBondContact O-N 3.34Å; F551-W554 VanDerWaalsContact O-N 3.15Å; W554-T556 PolarHBondContact O-N 3.17Å
555	S	68.4	Low	70.3	Confident	61 Å²	61	66.8 Å²	66.8	43%	0.427	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	5.7	-179.3	-24.2	0	0	0	0	117.3	D393 N553 H557	D393-S555 PolarHBondContact OD1-OG 2.84Å; N553-S555 PolarHBondContact O-N 3.17Å; S555-H557 PolarHBondContact O-N 3.34Å
556	T	52.9	Low	69	Low	46 Å²	46	66.7 Å²	66.7	28%	0.282	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	19.1	176.8	56.9	0	0	0	0	116.1	N553 W554	N553-T556 HydrophobicContact CB-CG2 4.27Å; N553-T556 PolarHBondContact O-N 3.15Å; N553-T556 PolarHBondContact O-OG1 2.77Å; W554-T556 PolarHBondContact O-N 3.17Å
557	H	37.7	Very low	67.5	Low	179 Å²	179	67.7 Å²	67.7	83%	0.829	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	1.8	179.9	-76.8	89.2	0	0	0	115.1	S555	S555-H557 PolarHBondContact O-N 3.34Å
558	T	31.8	Very low	65.8	Low	127 Å²	127	71.3 Å²	71.3	78%	0.779	39%	0.388	S	S	*	.	S	Bend	trans	-135.3	-2.8	-168.6	24.2	0	0	0	0	120.1
559	E	35.8	Very low	64.1	Low	113 Å²	113	73.8 Å²	73.8	53%	0.528	40%	0.404	S	S	.	.	S	Bend	trans	-143.8	134.5	166.3	-101.9	176.4	-149.3	0	0	108.9	K225 K231 Q561	K225-E559 IonicContact NZ-OE1 2.64Å; K225-E559 PolarHBondContact NZ-OE1 3.31Å; K231-E559 IonicContact NZ-OE2 2.69Å; K231-E559 PolarHBondContact NZ-OE2 3.25Å; E559-Q561 PolarHBondContact O-N 3.15Å
560	A	45.6	Very low	62.3	Low	83 Å²	83	74.8 Å²	74.8	69%	0.686	41%	0.41	S	S	*	.			trans	-40.5	116.4	-179.7	0	0	0	0	0	109.9	Y562	A560-Y562 CarbonylContact O-C 3.49Å; A560-Y562 PolarHBondContact O-N 3.11Å
561	Q	55.1	Low	60.2	Low	92 Å²	92	75.7 Å²	75.7	43%	0.43	41%	0.412	S	S	.	.	S	Bend	trans	-52.3	-28.6	-164.6	-72	177.5	-6	0	0	112.2	R186 E559	R186-Q561 PolarHBondContact NH1-O 2.87Å; R186-Q561 PolarHBondContact NH2-O 2.94Å; E559-Q561 PolarHBondContact O-N 3.15Å
562	Y	58.5	Low	57.7	Low	8 Å²	8	81.1 Å²	81.1	3%	0.031	44%	0.442	C	S	.	.	S	Bend	trans	-136.7	144.1	168.6	-69.4	-92.2	0	0	0	108.1	S208 S209 A215 H232 R234 A560 D564	S208-Y562 PolarHBondContact OG-OH 3.46Å; S208-Y562 VanDerWaalsContact OG-OH 3.09Å; S209-Y562 PolarHBondContact N-OH 2.96Å; S209-Y562 PolarHBondContact OG-OH 3.08Å; A215-Y562 HydrophobicContact CB-CE1 3.85Å; H232-Y562 HydrophobicContact CB-CD1 4.17Å; H232-Y562 HydrophobicContact CB-CE1 4.25Å; R234-Y562 HydrophobicContact CB-CD1 3.77Å; R234-Y562 HydrophobicContact CB-CE1 4.27Å; R234-Y562 HydrophobicContact CB-CG 4.09Å; R234-Y562 VanDerWaalsContact CZ-CD2 3.41Å; A560-Y562 CarbonylContact O-C 3.49Å; A560-Y562 PolarHBondContact O-N 3.11Å; Y562-D564 PolarHBondContact O-N 3.48Å
563	L	61.8	Low	55.5	Low	64 Å²	64	85.3 Å²	85.3	34%	0.335	47%	0.467	S	S	.	.			trans	-73.2	107.7	170.1	-66.1	169.8	0	0	0	107.7	K231 H232 Y233	K231-L563 HydrophobicContact CB-CD1 4.12Å; K231-L563 HydrophobicContact CD-CD1 4.14Å; K231-L563 HydrophobicContact CG-CD1 4.34Å; H232-L563 PolarHBondContact O-N 2.75Å; Y233-L563 HydrophobicContact CD1-CB 4.07Å; Y233-L563 HydrophobicContact CE1-CB 3.85Å; Y233-L563 HydrophobicContact CE1-CD1 3.68Å; Y233-L563 HydrophobicContact CE1-CG 4.41Å
564	D	53.5	Low	52.9	Low	111 Å²	111	85.6 Å²	85.6	59%	0.594	47%	0.469	S	S	*	.			trans	-80	123.4	168.4	-78.2	-30.4	0	0	0	108.1	R234 R236 Y562	R234-D564 IonicContact NH1-OD1 2.86Å; R236-D564 IonicContact NH2-OD1 3.89Å; R236-D564 PolarHBondContact NH2-OD1 3.03Å; Y562-D564 PolarHBondContact O-N 3.48Å
565	N	50.1	Low	50.1	Low	105 Å²	105	89.9 Å²	89.9	56%	0.561	50%	0.498	S	S	*	.			trans	-113.7	0	176.7	-84.3	-12.8	0	0	0	112.4	S247 G268	S247-N565 WeakPolarHBondContact CB-O 3.44Å; S247-N565 PolarHBondContact OG-O 3.13Å; G268-N565 WeakPolarHBondContact CA-ND2 3.47Å; G268-N565 PolarHBondContact O-ND2 3.23Å

Retrieved 565 of 565 residues in 1181.3 ms (Link to these results)

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