A0A3Q0KNA0_SCHMA Loading...

Kruppel-like factor

AlphaFold DB , UniProt , Accession A0A3Q0KNA0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 381 aa.

Structure Viewer

Loading PAE data...

(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	37	Very low	29.8	Very low	249 Å²	249	148.9 Å²	148.9	100%	1.227	86%	0.862	S	S	*	*				0	108.1	0	-75	172.6	171.1	0	0	106.5
2	E	25.1	Very low	30	Very low	190 Å²	190	145.9 Å²	145.9	89%	0.888	85%	0.852	S	S	*	*			trans	-105.6	147.4	178.8	-61.9	172.4	116.8	0	0	109.3
3	C	29.7	Very low	29.9	Very low	136 Å²	136	148.5 Å²	148.5	92%	0.919	85%	0.854	S	S	*	*			trans	-169	139.3	139.6	-113.4	0	0	0	0	109
4	S	29.4	Very low	29.6	Very low	130 Å²	130	152.1 Å²	152.1	91%	0.909	86%	0.855	S	S	*	*			trans	-114.8	142	-176.4	-60.7	0	0	0	0	110.6
5	G	32.2	Very low	29.7	Very low	80 Å²	80	149.7 Å²	149.7	83%	0.825	85%	0.852	S	S	*	*			trans	-178.4	101.9	178.2	0	0	0	0	0	115.5
6	L	28.4	Very low	29.3	Very low	168 Å²	168	154.3 Å²	154.3	88%	0.88	85%	0.854	S	S	*	*			trans	-106.5	167.8	157.7	-88.6	168.1	0	0	0	107.3
7	P	36.4	Very low	29.5	Very low	100 Å²	100	152.2 Å²	152.2	65%	0.649	85%	0.852	S	S	*	*			cis	-149.3	178.3	30.4	44.7	-25	0	0	0	118.5
8	H	28.7	Very low	29.4	Very low	177 Å²	177	151.6 Å²	151.6	82%	0.819	85%	0.847	S	S	*	*			trans	48.3	143	140.6	-83.8	-62.6	0	0	0	121.6
9	V	25.9	Very low	29.3	Very low	117 Å²	117	151.7 Å²	151.7	71%	0.709	85%	0.846	S	S	*	*			cis	-149.7	166.7	15.3	-163.8	0	0	0	0	110.5
10	T	30.8	Very low	29.4	Very low	132 Å²	132	153.3 Å²	153.3	81%	0.81	85%	0.851	S	S	*	*			trans	108.6	120.9	153.4	67	0	0	0	0	119.7
11	N	24.1	Very low	29.1	Very low	159 Å²	159	149.5 Å²	149.5	85%	0.85	85%	0.847	S	S	*	*			trans	-88.5	179.7	164.8	-70	-24.9	0	0	0	109.7
12	P	32.8	Very low	28.8	Very low	113 Å²	113	145.6 Å²	145.6	73%	0.734	83%	0.829	S	S	*	*			cis	-133.9	175.6	0.5	42	-26.9	0	0	0	115.3
13	M	28.8	Very low	28.7	Very low	179 Å²	179	142.2 Å²	142.2	88%	0.882	83%	0.825	S	S	*	*			trans	-159.4	141.8	134	-107.9	-56.3	171.4	0	0	111.5
14	F	25.5	Very low	28.8	Very low	199 Å²	199	141.2 Å²	141.2	87%	0.873	82%	0.82	S	S	*	*			trans	-109.4	133	166.5	-99.1	-92.9	0	0	0	108.3
15	S	30.1	Very low	28.5	Very low	116 Å²	116	142.8 Å²	142.8	81%	0.811	82%	0.818	S	S	*	*			trans	-121.2	145.2	170.2	49.7	0	0	0	0	110.6
16	Y	24.3	Very low	28.4	Very low	224 Å²	224	147 Å²	147	88%	0.878	82%	0.816	S	S	*	*			trans	-87.8	146.2	179.4	-78.1	-108.3	0	0	0	111.2
17	S	32.9	Very low	28.3	Very low	118 Å²	118	147.4 Å²	147.4	83%	0.825	82%	0.817	S	S	*	*			trans	-144.8	156.1	155.3	59.2	0	0	0	0	109.8
18	N	27.4	Very low	28	Very low	141 Å²	141	149.7 Å²	149.7	75%	0.754	82%	0.822	S	S	*	*			trans	-103.9	155.8	-164.1	-67.8	-42.7	0	0	0	113.6
19	N	26.5	Very low	27.9	Very low	155 Å²	155	145.2 Å²	145.2	83%	0.829	82%	0.816	S	S	*	*			trans	44	104.7	146.3	-61.7	-12.2	0	0	0	119.3
20	L	32.5	Very low	27.8	Very low	183 Å²	183	145.8 Å²	145.8	96%	0.958	82%	0.815	S	S	*	*			trans	-131.9	134	135.6	-91.7	171.1	0	0	0	108.2
21	G	22.8	Very low	27.6	Very low	73 Å²	73	144.5 Å²	144.5	75%	0.753	81%	0.809	S	S	*	*			trans	-117.5	142.6	178.7	0	0	0	0	0	111.2
22	I	30.9	Very low	27.7	Very low	168 Å²	168	146.8 Å²	146.8	86%	0.862	81%	0.807	S	S	*	*			trans	-134	137.1	168.2	-59.3	-178.9	0	0	0	107.1
23	C	22.5	Very low	27.5	Very low	118 Å²	118	148.4 Å²	148.4	80%	0.797	81%	0.81	S	S	*	*			trans	-84.1	141	-175.9	-54.2	0	0	0	0	112
24	S	31.3	Very low	27.2	Very low	115 Å²	115	145 Å²	145	80%	0.804	80%	0.802	S	S	*	*			trans	-133.9	107.4	156.5	-68.9	0	0	0	0	109.1
25	N	24	Very low	27.2	Very low	163 Å²	163	143.2 Å²	143.2	87%	0.872	80%	0.801	S	S	*	*			trans	-86.8	104.8	166.9	-75.8	-29.3	0	0	0	108.2
26	E	30.4	Very low	26.9	Very low	170 Å²	170	147.4 Å²	147.4	79%	0.794	81%	0.805	S	S	*	*			trans	-123.8	136.6	163.9	-71.5	-160.2	141.1	0	0	110.9
27	I	25.3	Very low	27	Very low	176 Å²	176	143.7 Å²	143.7	90%	0.903	80%	0.798	S	S	*	*			trans	-95.7	106.4	-172.1	-61.6	168	0	0	0	108.1
28	I	29.6	Very low	26.5	Very low	147 Å²	147	146 Å²	146	75%	0.754	80%	0.796	S	S	*	*			trans	-125.1	111.4	175.6	-58.6	-176.3	0	0	0	110.9
29	A	26.6	Very low	26.6	Very low	83 Å²	83	144.8 Å²	144.8	69%	0.686	80%	0.796	S	S	*	*			trans	29.3	107.8	157.1	0	0	0	0	0	119.9	P31	A29-P31 WeakPolarHBondContact O-CD 3.17Å
30	N	24.5	Very low	26.6	Very low	130 Å²	130	142.7 Å²	142.7	70%	0.695	79%	0.793	S	S	*	*			trans	-64.9	125.8	150.3	168	18	0	0	0	110.2	Y32	N30-Y32 PolarHBondContact OD1-N 3.35Å
31	P	27.4	Very low	26.1	Very low	105 Å²	105	143 Å²	143	68%	0.682	79%	0.788	S	S	*	*			trans	-108.2	23.3	-178.7	41.1	-33.4	0	0	0	115.2	A29	A29-P31 WeakPolarHBondContact O-CD 3.17Å
32	Y	25.7	Very low	26.4	Very low	207 Å²	207	145.3 Å²	145.3	81%	0.812	79%	0.789	S	S	*	*			trans	-128.1	97.5	169.7	-71.6	-72.2	0	0	0	112.7	N30	N30-Y32 PolarHBondContact OD1-N 3.35Å
33	N	27.6	Very low	26.2	Very low	147 Å²	147	146.3 Å²	146.3	79%	0.786	79%	0.79	S	S	*	*			trans	-151.7	148	160.7	-152.3	1.1	0	0	0	111.3
34	C	22.9	Very low	26.5	Very low	106 Å²	106	147.6 Å²	147.6	72%	0.716	78%	0.784	S	S	*	*			trans	54.3	86.8	167.5	-62.1	0	0	0	0	119.1
35	L	25.8	Very low	26.4	Very low	162 Å²	162	150.5 Å²	150.5	85%	0.848	79%	0.787	S	S	*	*			trans	-123.1	108.1	131.5	-90.8	176.1	0	0	0	109.4
36	K	24.3	Very low	26.5	Very low	204 Å²	204	145.5 Å²	145.5	89%	0.887	77%	0.774	S	S	*	*			trans	-79.2	125.5	160	-70	-179.4	176.7	-176.6	0	107.3
37	I	26.4	Very low	26.4	Very low	146 Å²	146	148.4 Å²	148.4	75%	0.749	78%	0.778	S	S	*	*			trans	-136.5	127	162.7	-58.9	-177.3	0	0	0	107.7
38	E	23.2	Very low	26.5	Very low	167 Å²	167	146.1 Å²	146.1	78%	0.78	77%	0.773	S	S	*	*			trans	-83.8	143	176.5	-61.8	166.6	154.1	0	0	109.4	S40	E38-S40 VanDerWaalsContact C-N 3.31Å; E38-S40 PolarHBondContact O-N 3.42Å
39	P	29.1	Very low	26.5	Very low	115 Å²	115	145 Å²	145	75%	0.747	78%	0.775	S	S	*	*			trans	-77.9	80.5	177.1	32.2	-34.4	0	0	0	110.9	F41	P39-F41 PolarHBondContact O-N 2.9Å
40	S	25.4	Very low	26.4	Very low	111 Å²	111	149 Å²	149	78%	0.776	78%	0.781	S	S	*	*			trans	-71.4	111.4	167.1	44.3	0	0	0	0	110.4	E38	E38-S40 VanDerWaalsContact C-N 3.31Å; E38-S40 PolarHBondContact O-N 3.42Å
41	F	22.8	Very low	26.8	Very low	191 Å²	191	150.4 Å²	150.4	84%	0.838	78%	0.781	S	S	*	*			trans	-84.9	132.7	170.8	-86.9	-96.8	0	0	0	110.9	P39	P39-F41 PolarHBondContact O-N 2.9Å
42	P	29.6	Very low	26.6	Very low	120 Å²	120	153.7 Å²	153.7	78%	0.779	79%	0.787	S	S	*	*			trans	-97	133.4	158	-5.5	25.8	0	0	0	111.8
43	E	26.1	Very low	27	Very low	190 Å²	190	151 Å²	151	89%	0.888	79%	0.785	S	S	*	*			trans	-79.2	178.9	160.7	-58.6	162.5	127.8	0	0	109.5
44	E	29.1	Very low	26.9	Very low	144 Å²	144	150.3 Å²	150.3	67%	0.673	78%	0.782	S	S	*	*			cis	-131.1	-160.3	-9.7	-147.3	-139.3	131.7	0	0	105.7	G46	E44-G46 WeakPolarHBondContact OE1-CA 3.24Å
45	M	28.2	Very low	27.1	Very low	176 Å²	176	152 Å²	152	87%	0.867	78%	0.784	S	S	*	*			cis	-140.6	162	8	-55.2	170.6	177.5	0	0	108.6
46	G	26.9	Very low	27.3	Very low	58 Å²	58	152 Å²	152	60%	0.598	78%	0.783	S	S	*	*			cis	-164.9	-171.4	-4.8	0	0	0	0	0	109.1	E44	E44-G46 WeakPolarHBondContact OE1-CA 3.24Å
47	R	28	Very low	27.4	Very low	231 Å²	231	145.1 Å²	145.1	87%	0.872	77%	0.77	S	S	*	*			cis	-142	137.6	26.3	-63.4	178.2	174.2	-168.8	-2.1	113.8
48	T	27.4	Very low	27.6	Very low	129 Å²	129	143.5 Å²	143.5	79%	0.791	77%	0.772	S	S	*	*			trans	66.8	137.7	139.6	54.7	0	0	0	0	121.5
49	P	30.3	Very low	27.8	Very low	123 Å²	123	142 Å²	142	80%	0.799	77%	0.769	S	S	*	*			trans	-125.1	177.8	-169.5	45	-31.9	0	0	0	115.6
50	M	24.3	Very low	27.7	Very low	167 Å²	167	144.2 Å²	144.2	82%	0.823	77%	0.773	S	S	*	*			trans	170.5	148.4	146.6	-98.8	-166.1	163.8	0	0	108.3
51	K	31.4	Very low	27.7	Very low	159 Å²	159	142.1 Å²	142.1	69%	0.691	77%	0.769	S	S	*	*			cis	-150.6	144.5	8.1	-112.3	161.5	-178.8	171.2	0	108.5
52	E	23.7	Very low	27.8	Very low	175 Å²	175	137.3 Å²	137.3	82%	0.818	76%	0.764	S	S	*	*			trans	-102.6	145	149.7	-75.5	-169.1	142.7	0	0	109.3
53	I	33.9	Very low	27.8	Very low	150 Å²	150	139.7 Å²	139.7	77%	0.769	77%	0.765	S	S	*	*			trans	-141	119	159.3	-58.3	-177.6	0	0	0	107.2
54	N	26.7	Very low	27.8	Very low	133 Å²	133	138.1 Å²	138.1	71%	0.711	76%	0.763	S	S	*	*			trans	-72.4	160	175.9	-64.5	-65.5	0	0	0	111.5
55	N	26.1	Very low	27.7	Very low	142 Å²	142	136 Å²	136	76%	0.759	77%	0.77	S	S	*	*				156.6	153.2	94.3	-151.5	1	0	0	0	112.9
56	I	31	Very low	27.6	Very low	160 Å²	160	134 Å²	134	82%	0.821	77%	0.767	S	S	*	*			trans	67.6	140.2	166.8	-49.3	148.2	0	0	0	115.2
57	G	26.2	Very low	27.8	Very low	61 Å²	61	139.5 Å²	139.5	63%	0.629	78%	0.777	S	S	*	*			cis	160.4	150.1	-9.7	0	0	0	0	0	113.3
58	S	30.9	Very low	27.7	Very low	111 Å²	111	134.4 Å²	134.4	78%	0.776	77%	0.768	S	S	*	*			trans	74.3	113.6	163.7	-58	0	0	0	0	122
59	N	26.4	Very low	27.7	Very low	136 Å²	136	134.9 Å²	134.9	73%	0.727	77%	0.774	S	S	*	*				69.8	120.9	128.1	-67.2	-14.1	0	0	0	124.7
60	I	27.2	Very low	27.5	Very low	162 Å²	162	135.5 Å²	135.5	83%	0.831	77%	0.767	S	S	*	*				62.4	121.7	127.4	-53.3	165.8	0	0	0	119.4
61	G	25.6	Very low	27.8	Very low	67 Å²	67	136.6 Å²	136.6	69%	0.691	76%	0.763	S	S	*	*			trans	125.6	100.7	133.3	0	0	0	0	0	119.2
62	A	25	Very low	27.6	Very low	89 Å²	89	134.4 Å²	134.4	74%	0.736	76%	0.759	S	S	*	*			trans	53.8	141	139.8	0	0	0	0	0	123.8
63	E	29.3	Very low	27.7	Very low	171 Å²	171	133.6 Å²	133.6	80%	0.799	76%	0.759	S	S	*	*			trans	71.1	93.3	144.3	-72.1	168.4	-130.8	0	0	122.1
64	N	25.9	Very low	27.5	Very low	156 Å²	156	131.9 Å²	131.9	83%	0.834	76%	0.757	S	S	*	*				47.6	111.2	117.5	-58	-26.3	0	0	0	121.1
65	A	26.9	Very low	27.5	Very low	100 Å²	100	130.1 Å²	130.1	83%	0.826	75%	0.753	S	S	*	*				-164.8	101.7	123.8	0	0	0	0	0	114.2
66	V	26	Very low	27.6	Very low	133 Å²	133	129 Å²	129	81%	0.806	75%	0.753	S	S	*	*			trans	23.2	116.2	139.2	-173	0	0	0	0	119.6
67	Q	31.2	Very low	27.4	Very low	174 Å²	174	132 Å²	132	81%	0.813	76%	0.756	S	S	*	*				-162.8	123.5	115.3	-108.9	175.4	8.8	0	0	112.9
68	N	27.3	Very low	27.3	Very low	125 Å²	125	135 Å²	135	67%	0.668	76%	0.762	S	S	*	*			trans	33.2	130.1	148.7	-49.4	1.2	0	0	0	118.5
69	C	27.2	Very low	27.1	Very low	138 Å²	138	137 Å²	137	93%	0.932	76%	0.764	S	S	*	*			cis	-111.7	166.7	45.2	-62.1	0	0	0	0	115.9
70	E	26.4	Very low	27	Very low	136 Å²	136	135.1 Å²	135.1	64%	0.636	76%	0.762	S	S	*	*			trans	-131.6	171.3	-162.8	-167.4	174.7	-169.1	0	0	112.3
71	Y	28.8	Very low	27	Very low	191 Å²	191	132.4 Å²	132.4	75%	0.749	76%	0.757	S	S	*	*			trans	83.1	129.8	173.6	-65.9	-93.4	0	0	0	119.2
72	N	27.8	Very low	26.9	Very low	113 Å²	113	140.6 Å²	140.6	60%	0.604	77%	0.769	S	S	*	*			cis	-165.7	142.4	-40.9	-117.2	-44.1	0	0	0	109.5
73	I	25.9	Very low	26.9	Very low	158 Å²	158	141.9 Å²	141.9	81%	0.81	77%	0.772	S	S	*	*			trans	-119.4	114.2	164.7	-59.2	174.9	0	0	0	107.7
74	P	29.1	Very low	26.7	Very low	114 Å²	114	137.3 Å²	137.3	74%	0.74	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-85.8	138.5	171.8	31.8	-30.7	0	0	0	111.9
75	P	27.6	Very low	26.6	Very low	96 Å²	96	137 Å²	137	62%	0.623	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-91.5	171.7	-176	37.6	-37.1	0	0	0	113.6
76	P	28	Very low	26.5	Very low	118 Å²	118	142.5 Å²	142.5	77%	0.766	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-79	151.8	-178.1	32.5	-36.8	0	0	0	113.6
77	Y	26.8	Very low	26.4	Very low	222 Å²	222	140.8 Å²	140.8	87%	0.871	77%	0.769	S	S	*	*			trans	-119.7	127	166.1	-81.9	-84.8	0	0	0	111.1
78	T	24.3	Very low	26	Very low	125 Å²	125	139.4 Å²	139.4	77%	0.767	77%	0.767	S	S	*	*			trans	-103.2	139.8	177.5	52.2	0	0	0	0	111.3
79	N	25.8	Very low	25.9	Very low	154 Å²	154	144.3 Å²	144.3	82%	0.824	78%	0.778	S	S	*	*			trans	-159.9	111.3	151.6	-101	-23.2	0	0	0	106.7
80	S	26	Very low	25.6	Very low	96 Å²	96	142.7 Å²	142.7	67%	0.671	77%	0.774	S	S	*	*				85.5	133.1	89.9	73	0	0	0	0	112.2
81	S	26	Very low	25.7	Very low	105 Å²	105	142.5 Å²	142.5	73%	0.734	78%	0.777	S	S	*	*			cis	-174.6	136	-6.8	43	0	0	0	0	109.3
82	Y	24.4	Very low	25.6	Very low	239 Å²	239	142.6 Å²	142.6	94%	0.937	78%	0.781	S	S	*	*			trans	-149.2	125.9	152.2	-127	-83.6	0	0	0	110.1
83	S	23.5	Very low	25.5	Very low	115 Å²	115	143.7 Å²	143.7	80%	0.804	79%	0.786	S	S	*	*			trans	-101	143.1	-179.3	49.4	0	0	0	0	110.8
84	G	26.1	Very low	25.5	Very low	75 Å²	75	142.9 Å²	142.9	77%	0.773	78%	0.784	S	S	*	*			trans	-169.6	77.9	-178.1	0	0	0	0	0	112.3
85	N	23	Very low	25.2	Very low	151 Å²	151	147.6 Å²	147.6	81%	0.807	79%	0.789	S	S	*	*			trans	-73.1	134.9	175.3	-67.6	-26.6	0	0	0	110.9
86	F	26.2	Very low	25.3	Very low	214 Å²	214	148.6 Å²	148.6	94%	0.939	80%	0.795	S	S	*	*			trans	-142.8	136.1	143.8	-93.2	-71.8	0	0	0	110.6
87	S	23.2	Very low	25.2	Very low	97 Å²	97	149.2 Å²	149.2	68%	0.678	80%	0.796	S	S	*	*			trans	-93.8	163.5	-176.4	-54.2	0	0	0	0	112.1
88	N	23.1	Very low	25.2	Very low	146 Å²	146	144 Å²	144	78%	0.781	79%	0.791	S	S	*	*			trans	67.3	108.5	164.5	-51.5	-34.2	0	0	0	116.7
89	Y	25	Very low	25.3	Very low	228 Å²	228	143.8 Å²	143.8	89%	0.894	79%	0.792	S	S	*	*				-148.3	134.6	110.9	-97.9	-71.3	0	0	0	109.6
90	A	21.3	Very low	25.5	Very low	103 Å²	103	144.1 Å²	144.1	85%	0.851	79%	0.793	S	S	*	*			trans	-85.1	120.7	173.4	0	0	0	0	0	109.4
91	I	28.8	Very low	25.5	Very low	133 Å²	133	145.5 Å²	145.5	68%	0.682	80%	0.8	S	S	*	*			trans	-122.5	105.4	172.7	-62	-179.3	0	0	0	108.1	N93	I91-N93 HydrophobicContact CG2-CB 4.17Å; I91-N93 WeakPolarHBondContact CG2-ND2 3.44Å
92	K	25	Very low	25.4	Very low	193 Å²	193	143.4 Å²	143.4	84%	0.839	79%	0.794	S	S	*	*			trans	-64.2	130.1	151.2	-70.4	179.7	176	-178.4	0	106.8
93	N	26.2	Very low	25.4	Very low	135 Å²	135	142.4 Å²	142.4	72%	0.722	79%	0.79	S	S	*	*			trans	-153.9	90.4	157.6	-95.5	-30.9	0	0	0	109	I91	I91-N93 HydrophobicContact CG2-CB 4.17Å; I91-N93 WeakPolarHBondContact CG2-ND2 3.44Å
94	D	25.9	Very low	25.4	Very low	142 Å²	142	142.4 Å²	142.4	76%	0.759	79%	0.786	S	S	*	*			trans	3.5	111.8	143.9	-51.9	-54.2	0	0	0	116.4
95	Y	23.9	Very low	25.4	Very low	213 Å²	213	149.2 Å²	149.2	84%	0.835	79%	0.79	S	S	*	*			trans	-60	135.9	155	-72.3	-87.8	0	0	0	108.7	T97	Y95-T97 PolarHBondContact O-N 3.15Å
96	P	29.5	Very low	25.3	Very low	116 Å²	116	151.5 Å²	151.5	75%	0.753	79%	0.788	S	S	*	*			trans	-66.2	103.8	178.3	26.4	-33.7	0	0	0	110.4	C98	P96-C98 PolarHBondContact O-N 3.49Å
97	T	26.2	Very low	25.5	Very low	131 Å²	131	146.1 Å²	146.1	80%	0.804	78%	0.778	S	S	*	*			trans	-66	98.9	171.9	42	0	0	0	0	109.6	Y95 P99	Y95-T97 PolarHBondContact O-N 3.15Å; T97-P99 WeakPolarHBondContact O-CD 3.48Å; T97-P99 VanDerWaalsContact O-N 3.13Å
98	C	25.5	Very low	25.5	Very low	113 Å²	113	149.9 Å²	149.9	76%	0.764	78%	0.784	S	S	*	*			trans	-58.5	114.6	179.4	-69.3	0	0	0	0	111.8	P96 L100	P96-C98 PolarHBondContact O-N 3.49Å; C98-L100 PolarHBondContact O-N 3.05Å; C98-L100 VanDerWaalsContact O-N 3.13Å
99	P	27.5	Very low	25.5	Very low	120 Å²	120	149.2 Å²	149.2	78%	0.779	78%	0.781	S	S	*	*			trans	-90.1	75.9	179.8	35.4	-29.3	0	0	0	109.8	T97	T97-P99 WeakPolarHBondContact O-CD 3.48Å; T97-P99 VanDerWaalsContact O-N 3.13Å
100	L	29.1	Very low	25.5	Very low	161 Å²	161	145.6 Å²	145.6	84%	0.843	78%	0.777	S	S	*	*			trans	-125.1	94.3	173.2	-74.4	179.9	0	0	0	111.1	C98	C98-L100 PolarHBondContact O-N 3.05Å; C98-L100 VanDerWaalsContact O-N 3.13Å
101	P	25.9	Very low	25.6	Very low	126 Å²	126	148.2 Å²	148.2	82%	0.818	77%	0.774	S	S	*	*			trans	-76.6	136.3	175	30.7	-33	0	0	0	111.8
102	G	24.7	Very low	25.4	Very low	60 Å²	60	147.4 Å²	147.4	62%	0.619	77%	0.77	S	S	*	*			trans	92.2	58.5	147.5	0	0	0	0	0	119.7
103	Y	23.6	Very low	25.4	Very low	218 Å²	218	144.7 Å²	144.7	86%	0.855	76%	0.764	S	S	*	*			trans	-142.7	77.9	149.5	-75.3	-66.9	0	0	0	112.3	Y105	Y103-Y105 PolarHBondContact O-N 3.07Å
104	T	23.2	Very low	25.7	Very low	116 Å²	116	145.5 Å²	145.5	71%	0.712	76%	0.758	S	S	*	*			trans	-82.2	97	173.2	37.6	0	0	0	0	111.5	Y106	T104-Y106 PolarHBondContact O-N 3.31Å; T104-Y106 VanDerWaalsContact O-N 3.11Å
105	Y	25.6	Very low	25.6	Very low	217 Å²	217	144 Å²	144	85%	0.851	76%	0.756	S	S	*	*			trans	-74.4	95.5	167.6	-91.7	-88	0	0	0	110.7	Y103 S107	Y103-Y105 PolarHBondContact O-N 3.07Å; Y105-S107 PolarHBondContact O-N 2.93Å
106	Y	22.2	Very low	25.5	Very low	199 Å²	199	140 Å²	140	78%	0.78	76%	0.758	S	S	*	*			trans	-65.9	114	167.8	-79.1	-87.2	0	0	0	110.5	T104	T104-Y106 PolarHBondContact O-N 3.31Å; T104-Y106 VanDerWaalsContact O-N 3.11Å
107	S	29.6	Very low	25.4	Very low	102 Å²	102	142.1 Å²	142.1	71%	0.713	76%	0.761	S	S	*	*			trans	-140.1	76.7	168.2	-175.6	0	0	0	0	109.6	Y105 N109	Y105-S107 PolarHBondContact O-N 2.93Å; S107-N109 VanDerWaalsContact C-N 3.3Å; S107-N109 PolarHBondContact O-N 3.31Å
108	Q	23.2	Very low	25.4	Very low	175 Å²	175	139.5 Å²	139.5	82%	0.818	75%	0.748	S	S	*	*			trans	-66.2	95.4	161	-76.5	169.6	-60.1	0	0	108.3
109	N	24.4	Very low	25.5	Very low	133 Å²	133	139.7 Å²	139.7	71%	0.711	75%	0.748	S	S	*	*	S	Bend	trans	168.3	146	131.3	-78.7	-17.8	0	0	0	110	S107	S107-N109 VanDerWaalsContact C-N 3.3Å; S107-N109 PolarHBondContact O-N 3.31Å
110	D	24.7	Very low	25.4	Very low	151 Å²	151	142.2 Å²	142.2	81%	0.807	75%	0.749	S	S	*	*			trans	55.8	89.5	170.3	-53.7	-23.5	0	0	0	116.9	I112	D110-I112 PolarHBondContact O-N 3.21Å
111	M	23.1	Very low	25.2	Very low	159 Å²	159	141 Å²	141	78%	0.783	74%	0.743	S	S	*	*			trans	-61.4	117.7	165.4	-73.7	-177.6	68.5	0	0	111.4	N113	M111-N113 WeakPolarHBondContact CE-OD1 3.13Å
112	I	24.9	Very low	25.3	Very low	116 Å²	116	144.9 Å²	144.9	60%	0.595	74%	0.743	S	S	*	*			trans	-120.9	96.5	150.7	-54.1	179.6	0	0	0	106.9	D110 Y114	D110-I112 PolarHBondContact O-N 3.21Å; I112-Y114 HydrophobicContact CB-CE2 4Å; I112-Y114 HydrophobicContact CG2-CD2 4.03Å; I112-Y114 HydrophobicContact CG2-CE1 4.2Å; I112-Y114 HydrophobicContact CG2-CE2 3.48Å; I112-Y114 VanDerWaalsContact CG2-CE2 3.48Å; I112-Y114 WeakPolarHBondContact O-CD2 3.47Å; I112-Y114 PolarHBondContact O-N 2.99Å; I112-Y114 VanDerWaalsContact O-N 3.13Å
113	N	24.5	Very low	25.2	Very low	135 Å²	135	147.1 Å²	147.1	72%	0.722	75%	0.75	S	S	*	*			trans	-65	111.1	171.5	-82	-6.2	0	0	0	109	M111	M111-N113 WeakPolarHBondContact CE-OD1 3.13Å
114	Y	32.3	Very low	25.5	Very low	153 Å²	153	147.5 Å²	147.5	60%	0.6	75%	0.751	S	S	*	*			trans	-95.1	131.1	164.4	-71.1	-76.5	0	0	0	108.7	I112	I112-Y114 HydrophobicContact CB-CE2 4Å; I112-Y114 HydrophobicContact CG2-CD2 4.03Å; I112-Y114 HydrophobicContact CG2-CE1 4.2Å; I112-Y114 HydrophobicContact CG2-CE2 3.48Å; I112-Y114 VanDerWaalsContact CG2-CE2 3.48Å; I112-Y114 WeakPolarHBondContact O-CD2 3.47Å; I112-Y114 PolarHBondContact O-N 2.99Å; I112-Y114 VanDerWaalsContact O-N 3.13Å
115	P	24.1	Very low	25.7	Very low	109 Å²	109	150.2 Å²	150.2	71%	0.708	76%	0.755	S	S	*	*			trans	-68.5	147.3	-178.7	28.7	-34.9	0	0	0	111.3	I117	P115-I117 PolarHBondContact O-N 2.78Å
116	C	22.4	Very low	25.7	Very low	130 Å²	130	147.5 Å²	147.5	88%	0.878	75%	0.75	S	S	*	*			trans	-66.8	101.3	173.1	-63.4	0	0	0	0	110.1	S118	C116-S118 VanDerWaalsContact C-N 3.27Å; C116-S118 PolarHBondContact O-N 2.62Å
117	I	27.8	Very low	26	Very low	160 Å²	160	144.8 Å²	144.8	82%	0.821	75%	0.749	S	S	*	*			trans	-74.2	84.6	172.4	-54.9	177.1	0	0	0	108.4	P115	P115-I117 PolarHBondContact O-N 2.78Å
118	S	24.8	Very low	25.9	Very low	76 Å²	76	150.2 Å²	150.2	53%	0.531	76%	0.756	S	S	.	*			trans	-77.9	125.7	170.1	-168.3	0	0	0	0	109.6	C116 H120	C116-S118 VanDerWaalsContact C-N 3.27Å; C116-S118 PolarHBondContact O-N 2.62Å; S118-H120 PolarHBondContact O-N 2.79Å; S118-H120 PolarHBondContact OG-CD2 3.42Å
119	P	29	Very low	25.8	Very low	118 Å²	118	149.2 Å²	149.2	77%	0.766	76%	0.755	S	S	*	*			trans	-81.7	52.3	-173.8	34.9	-37.1	0	0	0	112.9	N121	P119-N121 PolarHBondContact O-N 3.23Å; P119-N121 VanDerWaalsContact O-N 3.09Å
120	H	24.6	Very low	26.2	Very low	172 Å²	172	148.2 Å²	148.2	80%	0.796	76%	0.756	S	S	*	*			trans	-78.7	84.6	167	-78.7	-80.7	0	0	0	110.1	S118	S118-H120 PolarHBondContact O-N 2.79Å; S118-H120 PolarHBondContact OG-CD2 3.42Å
121	N	25.4	Very low	26.3	Very low	136 Å²	136	148.2 Å²	148.2	73%	0.727	75%	0.751	S	S	*	*			trans	-152.1	78.3	162.2	-138.2	-10.7	0	0	0	112.4	P119	P119-N121 PolarHBondContact O-N 3.23Å; P119-N121 VanDerWaalsContact O-N 3.09Å
122	Y	26.7	Very low	26.6	Very low	208 Å²	208	148.6 Å²	148.6	82%	0.816	75%	0.751	S	S	*	*			trans	-139	62.8	164.8	-84.9	-66.6	0	0	0	109	Y124	Y122-Y124 PolarHBondContact O-N 2.96Å
123	S	24.3	Very low	26.8	Very low	107 Å²	107	147 Å²	147	75%	0.748	75%	0.75	S	S	*	*			trans	-76.3	115.8	164.3	-61.2	0	0	0	0	108.6
124	Y	28.4	Very low	27.1	Very low	225 Å²	225	147.5 Å²	147.5	88%	0.882	75%	0.752	S	S	*	*			trans	-120.6	98.2	170.7	-143	-72	0	0	0	106.7	Y122	Y122-Y124 PolarHBondContact O-N 2.96Å
125	E	27.9	Very low	26.9	Very low	173 Å²	173	147.4 Å²	147.4	81%	0.808	76%	0.762	S	S	*	*			trans	-74.9	139.7	-178.4	-74.9	-156.9	130.9	0	0	112.3
126	H	25.8	Very low	27.2	Very low	160 Å²	160	149.3 Å²	149.3	74%	0.741	77%	0.765	S	S	*	*			trans	-25.9	145.8	175.1	-66.4	-88.4	0	0	0	118.5
127	N	27.3	Very low	27.4	Very low	142 Å²	142	150.4 Å²	150.4	76%	0.759	76%	0.757	S	S	*	*			trans	-137.4	110.6	141.3	-98.8	-65.7	0	0	0	110.5
128	Y	27.6	Very low	27.3	Very low	216 Å²	216	150.5 Å²	150.5	85%	0.847	75%	0.753	S	S	*	*			trans	69.5	150.3	164	-64.4	-87.5	0	0	0	120.7
129	L	22.9	Very low	27.4	Very low	155 Å²	155	151 Å²	151	81%	0.812	76%	0.757	S	S	*	*			trans	-127	-177.8	-171.9	-75	164.4	0	0	0	108.3
130	P	31.2	Very low	27.2	Very low	111 Å²	111	155.2 Å²	155.2	72%	0.721	76%	0.764	S	S	*	*			cis	-114.2	-137.5	-13.1	18	8.6	0	0	0	109.6
131	E	26.9	Very low	27.1	Very low	152 Å²	152	150.8 Å²	150.8	71%	0.71	76%	0.764	S	S	*	*			cis	-148.5	164.6	4.1	-72.6	-172.2	103.7	0	0	111.2
132	H	31	Very low	27.3	Very low	167 Å²	167	150 Å²	150	77%	0.773	77%	0.768	S	S	*	*			trans	59	146.9	164.1	-59.6	-61	0	0	0	119.7
133	S	27.7	Very low	27.3	Very low	83 Å²	83	148.8 Å²	148.8	58%	0.58	77%	0.769	S	S	*	*			cis	-165.2	165.8	-25.6	59.2	0	0	0	0	110.6
134	N	31.8	Very low	27.5	Very low	144 Å²	144	151.8 Å²	151.8	77%	0.77	77%	0.772	S	S	*	*			trans	71	87.3	154.8	-58.4	-19.1	0	0	0	122.1
135	N	26.5	Very low	27.6	Very low	151 Å²	151	147 Å²	147	81%	0.807	77%	0.766	S	S	*	*				51.2	145.4	108	-95	-12.5	0	0	0	125
136	I	31.6	Very low	27.6	Very low	150 Å²	150	144.1 Å²	144.1	77%	0.769	76%	0.764	S	S	*	*			trans	89.2	95	151.8	-61.8	151.5	0	0	0	119.9
137	H	25.4	Very low	27.6	Very low	152 Å²	152	143.1 Å²	143.1	70%	0.704	76%	0.764	S	S	*	*				15.3	115.6	121.9	-108.1	-115.9	0	0	0	119.8
138	H	26.1	Very low	27.7	Very low	162 Å²	162	141.6 Å²	141.6	75%	0.75	76%	0.763	S	S	*	*				-179.5	167	92	-109.9	-72.5	0	0	0	114.2
139	S	26.3	Very low	27.8	Very low	87 Å²	87	141.3 Å²	141.3	61%	0.608	76%	0.762	S	S	*	*			trans	-68.2	143.6	-175.3	-37.9	0	0	0	0	115.1
140	F	25	Very low	27.9	Very low	207 Å²	207	140 Å²	140	91%	0.908	77%	0.766	S	S	*	*				176.6	134	100.3	-98.9	-71.1	0	0	0	113.2
141	G	23.9	Very low	27.7	Very low	78 Å²	78	139 Å²	139	80%	0.804	76%	0.761	S	S	*	*			trans	66.9	102.8	147.4	0	0	0	0	0	120.6
142	C	28.3	Very low	27.7	Very low	120 Å²	120	142.9 Å²	142.9	81%	0.811	77%	0.771	S	S	*	*			trans	-149.5	119.5	140.2	-167.2	0	0	0	0	112
143	H	27.1	Very low	27.4	Very low	182 Å²	182	141.9 Å²	141.9	84%	0.843	77%	0.77	S	S	*	*			trans	-81.6	108.2	160.5	-100.6	-141.8	0	0	0	108.4
144	Q	29.6	Very low	27.2	Very low	171 Å²	171	143 Å²	143	80%	0.799	78%	0.776	S	S	*	*			trans	-176.3	162.1	144	-104.8	150.4	101.5	0	0	114.1
145	T	29.1	Very low	27	Very low	124 Å²	124	142.1 Å²	142.1	76%	0.761	78%	0.775	S	S	*	*			trans	55.4	52.3	166	56.7	0	0	0	0	118.3
146	C	28.8	Very low	26.9	Very low	112 Å²	112	145 Å²	145	76%	0.757	78%	0.775	S	S	*	*			trans	-98.8	84.5	147.6	-155.3	0	0	0	0	109.3	C148	C146-C148 PolarHBondContact O-N 2.97Å
147	N	25.2	Very low	26.8	Very low	140 Å²	140	144 Å²	144	75%	0.749	77%	0.771	S	S	*	*			trans	-75.9	58.8	179	-82.3	-15.2	0	0	0	111.9	Y149	N147-Y149 PolarHBondContact O-N 2.97Å
148	C	30.7	Very low	26.8	Very low	109 Å²	109	144.7 Å²	144.7	74%	0.736	77%	0.774	S	S	*	*			trans	-71.7	109.9	166.6	-70.7	0	0	0	0	108.8	C146 S150	C146-C148 PolarHBondContact O-N 2.97Å; C148-S150 PolarHBondContact O-N 2.91Å
149	Y	28.2	Very low	27	Very low	211 Å²	211	140.4 Å²	140.4	83%	0.827	76%	0.763	S	S	*	*			trans	-56	126	-167.5	-101.8	-109	0	0	0	114	N147 S151	N147-Y149 PolarHBondContact O-N 2.97Å; Y149-S151 PolarHBondContact O-N 3.24Å; Y149-S151 PolarHBondContact O-OG 3.18Å; Y149-S151 VanDerWaalsContact O-OG 3.14Å
150	S	25.4	Very low	27	Very low	127 Å²	127	144.9 Å²	144.9	89%	0.888	77%	0.772	S	S	*	*			trans	-53.4	105.4	168.4	-175.9	0	0	0	0	110.7	C148	C148-S150 PolarHBondContact O-N 2.91Å
151	S	26.9	Very low	27.2	Very low	89 Å²	89	141.2 Å²	141.2	62%	0.622	77%	0.766	S	S	*	*			trans	-156.9	29.2	176.7	51.8	0	0	0	0	113.5	Y149 L153	Y149-S151 PolarHBondContact O-N 3.24Å; Y149-S151 PolarHBondContact O-OG 3.18Å; Y149-S151 VanDerWaalsContact O-OG 3.14Å; S151-L153 PolarHBondContact O-N 2.8Å
152	Y	27.4	Very low	27.3	Very low	235 Å²	235	145.1 Å²	145.1	92%	0.922	76%	0.761	S	S	*	*			trans	-65.7	77.6	149.4	-83.8	-75.7	0	0	0	108.3	P154	Y152-P154 VanDerWaalsContact O-CD 3.22Å; Y152-P154 WeakPolarHBondContact O-CD 3.39Å
153	L	24.4	Very low	27.4	Very low	145 Å²	145	145 Å²	145	76%	0.759	76%	0.759	S	S	*	*			trans	-60.8	116.2	171.9	-76	171.5	0	0	0	107.9	S151 V155	S151-L153 PolarHBondContact O-N 2.8Å; L153-V155 PolarHBondContact O-N 2.99Å
154	P	22.8	Very low	28	Very low	108 Å²	108	139.8 Å²	139.8	70%	0.701	74%	0.736	S	S	*	*			trans	-66.9	106.9	170.8	28.2	-31.9	0	0	0	106.9	Y152 R156	Y152-P154 VanDerWaalsContact O-CD 3.22Å; Y152-P154 WeakPolarHBondContact O-CD 3.39Å; P154-R156 VanDerWaalsContact C-N 3.34Å; P154-R156 PolarHBondContact O-N 3.33Å
155	V	29.5	Very low	28.4	Very low	125 Å²	125	139.5 Å²	139.5	76%	0.758	73%	0.732	S	S	*	*			trans	-63.1	99.2	177.1	177.8	0	0	0	0	107.5	L153 N157	L153-V155 PolarHBondContact O-N 2.99Å; V155-N157 PolarHBondContact O-N 3.21Å
156	R	23.2	Very low	28.9	Very low	212 Å²	212	136.6 Å²	136.6	80%	0.8	71%	0.714	S	S	*	*			trans	-69.6	63.4	177.7	-79.2	-175.7	170.7	166.4	-3.7	111.4	P154 Q158	P154-R156 VanDerWaalsContact C-N 3.34Å; P154-R156 PolarHBondContact O-N 3.33Å; R156-Q158 PolarHBondContact O-N 3.37Å
157	N	29.2	Very low	29.1	Very low	128 Å²	128	137.4 Å²	137.4	68%	0.684	71%	0.707	S	S	*	*			trans	-73.2	78.3	149.7	-84.3	-14.2	0	0	0	107.9	V155 S159	V155-N157 PolarHBondContact O-N 3.21Å; N157-S159 PolarHBondContact O-N 2.9Å; N157-S159 PolarHBondContact O-OG 3.38Å
158	Q	26.6	Very low	29.6	Very low	166 Å²	166	135.4 Å²	135.4	78%	0.776	70%	0.701	S	S	*	*			trans	-72.8	41.9	160.4	-71.7	-172.7	-21.4	0	0	110.9	R156 K160	R156-Q158 PolarHBondContact O-N 3.37Å; Q158-K160 PolarHBondContact O-N 3.5Å; Q158-K160 VanDerWaalsContact O-N 3.15Å
159	S	29.4	Very low	29.8	Very low	73 Å²	73	133.5 Å²	133.5	51%	0.51	69%	0.688	S	S	.	*			trans	-62.9	111.4	160.7	49	0	0	0	0	107	N157 V161	N157-S159 PolarHBondContact O-N 2.9Å; N157-S159 PolarHBondContact O-OG 3.38Å; S159-V161 WeakPolarHBondContact O-CG2 3.39Å; S159-V161 PolarHBondContact O-N 3.12Å
160	K	26.3	Very low	30.1	Very low	181 Å²	181	130.6 Å²	130.6	79%	0.787	69%	0.686	S	S	*	*			trans	-58.3	102.3	175.1	-70.4	-179.9	178.2	178.4	0	108.7	Q158 F162	Q158-K160 PolarHBondContact O-N 3.5Å; Q158-K160 VanDerWaalsContact O-N 3.15Å; K160-F162 VanDerWaalsContact C-N 3.28Å; K160-F162 HydrophobicContact CB-CD2 4.25Å; K160-F162 HydrophobicContact CB-CE2 3.9Å; K160-F162 HydrophobicContact CD-CE2 4.46Å; K160-F162 WeakPolarHBondContact O-CD2 3.45Å; K160-F162 PolarHBondContact O-N 3.44Å
161	V	29.1	Very low	30.9	Very low	130 Å²	130	130.2 Å²	130.2	79%	0.788	68%	0.684	S	S	*	*			trans	-74.6	86.5	177.9	-175.8	0	0	0	0	108.1	S159	S159-V161 WeakPolarHBondContact O-CG2 3.39Å; S159-V161 PolarHBondContact O-N 3.12Å
162	F	26	Very low	31.3	Very low	160 Å²	160	133.6 Å²	133.6	70%	0.702	70%	0.695	S	S	*	*			trans	-65.3	127.5	163.1	-71.1	-82.6	0	0	0	108.1	K160 I164	K160-F162 VanDerWaalsContact C-N 3.28Å; K160-F162 HydrophobicContact CB-CD2 4.25Å; K160-F162 HydrophobicContact CB-CE2 3.9Å; K160-F162 HydrophobicContact CD-CE2 4.46Å; K160-F162 WeakPolarHBondContact O-CD2 3.45Å; K160-F162 PolarHBondContact O-N 3.44Å; F162-I164 PolarHBondContact O-N 2.82Å
163	P	30.2	Very low	31.8	Very low	117 Å²	117	130.1 Å²	130.1	76%	0.76	69%	0.692	S	S	*	*			trans	-63.9	121.5	179.7	25.5	-33.1	0	0	0	109.3	K165	P163-K165 VanDerWaalsContact C-N 3.33Å; P163-K165 PolarHBondContact O-N 3.16Å
164	I	39.9	Very low	32.4	Very low	72 Å²	72	130.5 Å²	130.5	37%	0.369	69%	0.69	S	S	.	*			trans	-72.5	92.5	176.2	-49.1	178.5	0	0	0	107.6	F162 V166 Y210	F162-I164 PolarHBondContact O-N 2.82Å; I164-V166 HydrophobicContact CG2-CG2 3.7Å; I164-V166 PolarHBondContact O-N 3.5Å; I164-Y210 HydrophobicContact CG2-CD2 4.42Å; I164-Y210 HydrophobicContact CG2-CE2 4.5Å
165	K	37.8	Very low	32.9	Very low	166 Å²	166	132.4 Å²	132.4	72%	0.722	69%	0.694	S	S	*	*			trans	-70.6	79.8	173.5	-158.1	-168.6	-171.8	-162.1	0	109.4	P163 E167	P163-K165 VanDerWaalsContact C-N 3.33Å; P163-K165 PolarHBondContact O-N 3.16Å; K165-E167 HydrophobicContact CD-CG 4.09Å; K165-E167 WeakPolarHBondContact CD-OE1 3.46Å; K165-E167 WeakPolarHBondContact CE-OE1 3.24Å; K165-E167 HydrophobicContact CG-CG 4.08Å; K165-E167 IonicContact NZ-OE1 2.62Å; K165-E167 PolarHBondContact NZ-OE1 3.37Å; K165-E167 PolarHBondContact O-N 2.82Å
166	V	40.4	Very low	33.2	Very low	62 Å²	62	132 Å²	132	38%	0.376	70%	0.698	S	S	.	*			trans	-77.4	93.3	165.8	-174.4	0	0	0	0	106.5	I164 P168	I164-V166 HydrophobicContact CG2-CG2 3.7Å; I164-V166 PolarHBondContact O-N 3.5Å; V166-P168 WeakPolarHBondContact O-CD 3.32Å
167	E	31.8	Very low	33.8	Very low	129 Å²	129	127.9 Å²	127.9	60%	0.603	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-68.8	118.6	167.9	-65.1	178.4	163.2	0	0	107.7	K165	K165-E167 HydrophobicContact CD-CG 4.09Å; K165-E167 WeakPolarHBondContact CD-OE1 3.46Å; K165-E167 WeakPolarHBondContact CE-OE1 3.24Å; K165-E167 HydrophobicContact CG-CG 4.08Å; K165-E167 IonicContact NZ-OE1 2.62Å; K165-E167 PolarHBondContact NZ-OE1 3.37Å; K165-E167 PolarHBondContact O-N 2.82Å
168	P	37.4	Very low	34.1	Very low	98 Å²	98	130.6 Å²	130.6	64%	0.636	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-73.2	139.5	172.9	31	-32	0	0	0	108.9	V166	V166-P168 WeakPolarHBondContact O-CD 3.32Å
169	P	34	Very low	34.7	Very low	70 Å²	70	128.7 Å²	128.7	46%	0.455	71%	0.711	S	S	.	*	P	Polyproline II helix	trans	-66.8	137.4	150.2	31.2	-31	0	0	0	107.7
170	D	33.7	Very low	35.1	Very low	149 Å²	149	131.5 Å²	131.5	80%	0.797	73%	0.725	S	S	*	*	S	Bend	trans	-58.9	149.4	-169.1	-54.8	-84.9	0	0	0	114.5
171	S	42.4	Very low	35.6	Very low	119 Å²	119	131.6 Å²	131.6	83%	0.832	73%	0.725	S	S	*	*			trans	65.9	117.6	-177.2	69.4	0	0	0	0	116.7
172	D	36.3	Very low	36.3	Very low	160 Å²	160	133 Å²	133	86%	0.856	73%	0.729	S	S	*	*			trans	-79.9	138.1	158.3	-74.5	-61.7	0	0	0	109.3
173	N	36.4	Very low	37.1	Very low	163 Å²	163	133.9 Å²	133.9	87%	0.872	74%	0.735	S	S	*	*			trans	-146.1	148.1	156.6	-161.9	-3.2	0	0	0	108.5
174	E	38.5	Very low	38.2	Very low	153 Å²	153	137.3 Å²	137.3	72%	0.715	74%	0.741	S	S	*	*			trans	-91.5	178.4	-162.8	-58.6	-159.3	138.5	0	0	114.5
175	N	32.7	Very low	39.4	Very low	147 Å²	147	139.1 Å²	139.1	79%	0.786	76%	0.755	S	S	*	*			trans	57.4	96.3	152.4	-58.7	-39.7	0	0	0	118.3
176	S	35.9	Very low	41	Very low	118 Å²	118	139.4 Å²	139.4	83%	0.825	76%	0.756	S	S	*	*			trans	-140.1	121.7	140.5	-179.2	0	0	0	0	109.8
177	C	35.2	Very low	43	Very low	125 Å²	125	141.8 Å²	141.8	85%	0.845	76%	0.761	S	S	*	*			trans	-122.3	67.7	176.2	-167	0	0	0	0	109.7
178	F	36.2	Very low	45.7	Very low	185 Å²	185	142.6 Å²	142.6	81%	0.811	76%	0.763	S	S	*	*			trans	-131.7	140.6	166.7	-93.9	-82.4	0	0	0	110.8
179	S	39	Very low	48.3	Very low	126 Å²	126	140 Å²	140	88%	0.881	74%	0.74	S	S	*	*			trans	-106.2	81.5	176.8	-67.5	0	0	0	0	110
180	T	37.6	Very low	51.1	Low	131 Å²	131	138.5 Å²	138.5	80%	0.804	74%	0.735	S	S	*	*			trans	-88.4	149.2	159.1	46.4	0	0	0	0	109.4
181	K	38.2	Very low	54	Low	183 Å²	183	132.1 Å²	132.1	80%	0.796	70%	0.701	S	S	*	*			trans	-88.9	159.5	176.3	-56.3	174.2	-176.5	169.5	0	109.5	E183	K181-E183 PolarHBondContact O-N 3.03Å
182	D	43.7	Very low	56.4	Low	161 Å²	161	132 Å²	132	86%	0.861	70%	0.696	S	S	*	*	S	Bend	trans	63	42.3	154.6	-47.9	-39.1	0	0	0	117.4
183	E	42.4	Very low	59.1	Low	178 Å²	178	129.1 Å²	129.1	83%	0.832	68%	0.676	S	S	*	*	S	Bend	trans	-127.5	154.4	148.2	-166.5	160.4	-154.5	0	0	111.1	K181 V185	K181-E183 PolarHBondContact O-N 3.03Å; E183-V185 PolarHBondContact O-N 2.81Å
184	Q	53.6	Low	61.6	Low	189 Å²	189	126.6 Å²	126.6	88%	0.883	67%	0.668	S	S	*	*			trans	-73.6	80.4	-168.8	-65.1	-171.1	47.8	0	0	112.8	K186	Q184-K186 VanDerWaalsContact C-N 3.26Å; Q184-K186 PolarHBondContact O-N 3.27Å
185	V	64	Low	64.1	Low	109 Å²	109	123.5 Å²	123.5	66%	0.661	68%	0.678	S	S	*	*			trans	-65.3	86.3	174.1	-161.9	0	0	0	0	110.1	E183 K187 L201	E183-V185 PolarHBondContact O-N 2.81Å; V185-K187 PolarHBondContact O-N 3.2Å; V185-L201 HydrophobicContact CB-CD2 4.15Å; V185-L201 HydrophobicContact CG1-CD1 4.41Å; V185-L201 HydrophobicContact CG1-CD2 3.53Å; V185-L201 WeakPolarHBondContact O-CD2 3.47Å
186	K	71.4	Confident	67	Low	173 Å²	173	117.5 Å²	117.5	75%	0.752	65%	0.647	S	S	*	*			trans	-59.1	105.7	-170.2	-172.6	172.8	-179.4	176.1	0	110.2	Q184 K188	Q184-K186 VanDerWaalsContact C-N 3.26Å; Q184-K186 PolarHBondContact O-N 3.27Å; K186-K188 VanDerWaalsContact C-N 3.3Å; K186-K188 WeakPolarHBondContact O-CG 3.41Å; K186-K188 PolarHBondContact O-N 2.79Å
187	K	83.7	Confident	69.6	Low	112 Å²	112	120.7 Å²	120.7	49%	0.487	65%	0.649	S	S	.	*			trans	-63.8	86.5	179	-70.5	166.6	173.1	178.6	0	110.5	V185 Y189 R199 Y200 L201	V185-K187 PolarHBondContact O-N 3.2Å; K187-Y189 VanDerWaalsContact C-N 3.31Å; K187-Y189 PolarHBondContact O-N 2.72Å; K187-R199 HydrophobicContact CB-CB 3.59Å; K187-R199 HydrophobicContact CD-CB 4.16Å; K187-R199 HydrophobicContact CG-CB 4.47Å; K187-R199 PolarHBondContact O-NE 2.72Å; K187-R199 PolarHBondContact O-NH2 3.19Å; K187-Y200 CarbonylContact C-O 3.55Å; K187-Y200 WeakPolarHBondContact CA-O 3.48Å; K187-L201 HydrophobicContact CG-CD2 3.75Å; K187-L201 HydrophobicContact CG-CG 4.26Å
188	K	88.3	Confident	72.3	Confident	146 Å²	146	120.2 Å²	120.2	64%	0.635	63%	0.632	S	S	*	*			trans	-55.2	-44.5	-173.4	-63.5	-172.1	-179.6	-177.3	0	111.6	K186 A190 Y200	K186-K188 VanDerWaalsContact C-N 3.3Å; K186-K188 WeakPolarHBondContact O-CG 3.41Å; K186-K188 PolarHBondContact O-N 2.79Å; K188-A190 PolarHBondContact O-N 3.1Å; K188-Y200 PolarHBondContact N-O 3.1Å
189	Y	91.3	Very high	75.1	Confident	42 Å²	42	117.4 Å²	117.4	17%	0.165	62%	0.616	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.6	103.1	-170	-55.5	-78.9	0	0	0	111.6	K187 R199 Y200 L201 K202	K187-Y189 VanDerWaalsContact C-N 3.31Å; K187-Y189 PolarHBondContact O-N 2.72Å; Y189-R199 CarbonylContact O-C 3.25Å; Y189-R199 WeakPolarHBondContact O-CA 3.41Å; Y189-Y200 PolarHBondContact N-O 2.93Å; Y189-Y200 VanDerWaalsContact N-O 3.16Å; Y189-Y200 PolarHBondContact O-N 2.85Å; Y189-L201 WeakPolarHBondContact CE2-O 3.33Å; Y189-K202 VanDerWaalsContact CD2-C 3.43Å
190	A	93.5	Very high	77.7	Confident	40 Å²	40	114 Å²	114	33%	0.331	59%	0.585	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.4	152.6	176.1	0	0	0	0	0	112.3	K188 R199 L206	K188-A190 PolarHBondContact O-N 3.1Å; A190-R199 HydrophobicContact CB-CG 3.99Å; A190-L206 WeakPolarHBondContact O-CD1 3.46Å; A190-L206 WeakPolarHBondContact O-CD2 3.2Å
191	C	94.7	Very high	80.4	Confident	14 Å²	14	112.2 Å²	112.2	10%	0.095	57%	0.569	C	S	.	*			trans	-79.3	138.3	164.8	-164.6	0	0	0	0	110.4	C196 K198 L206 H213	C191-C196 HydrophobicContact CB-CB 4.5Å; C191-C196 WeakPolarHBondContact CB-O 3.31Å; C191-K198 WeakPolarHBondContact CB-O 3.45Å; C191-K198 PolarHBondContact N-O 3.03Å; C191-L206 HydrophobicContact CB-CD1 4.01Å; C191-H213 VanDerWaalsContact SG-CD2 3.58Å; C191-H213 PolarHBondContact SG-NE2 2.86Å; C191-H213 VanDerWaalsContact SG-NE2 3.35Å
192	T	92.7	Very high	82.9	Confident	118 Å²	118	109.5 Å²	109.5	72%	0.724	56%	0.558	S	S	*	*			trans	-106.8	6.6	179.6	-31.4	0	0	0	0	111.2	Y210	T192-Y210 VanDerWaalsContact CB-OH 3.28Å; T192-Y210 WeakPolarHBondContact CB-OH 3.33Å; T192-Y210 PolarHBondContact N-OH 3.36Å; T192-Y210 PolarHBondContact OG1-OH 3.09Å
193	F	91.3	Very high	85.2	Confident	98 Å²	98	104.4 Å²	104.4	43%	0.43	54%	0.535	S	S	.	.	S	Bend	trans	-73.6	130.9	175.3	-168.3	-93.3	0	0	0	109.9	G195 C196 Y210 H213	F193-G195 PolarHBondContact O-N 3.39Å; F193-C196 HydrophobicContact CB-CB 4.33Å; F193-C196 PolarHBondContact O-N 3.26Å; F193-Y210 HydrophobicContact CB-CE1 4.37Å; F193-H213 HydrophobicContact CB-CB 4.48Å; F193-H213 VanDerWaalsContact CB-CD2 3.43Å; F193-H213 WeakPolarHBondContact CB-CD2 3.48Å; F193-H213 HydrophobicContact CD1-CB 4.21Å; F193-H213 AromaticContact CD1-CE1 3.91Å; F193-H213 AromaticContact CD1-CG 3.77Å; F193-H213 AromaticContact CD1-ND1 3.68Å; F193-H213 HydrophobicContact CD2-CB 3.67Å; F193-H213 AromaticContact CD2-CG 3.96Å; F193-H213 HydrophobicContact CE1-CB 4.37Å; F193-H213 HydrophobicContact CE2-CB 3.86Å; F193-H213 HydrophobicContact CG-CB 3.85Å; F193-H213 AromaticContact CG-CD2 3.67Å; F193-H213 AromaticContact CG-CG 3.59Å; F193-H213 HydrophobicContact CZ-CB 4.21Å
194	P	90.2	Very high	87.5	Confident	110 Å²	110	99.1 Å²	99.1	71%	0.714	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	131.1	-178.4	-29	36.1	0	0	0	112.8	C196	P194-C196 VanDerWaalsContact C-N 3.31Å; P194-C196 PolarHBondContact O-N 3.44Å
195	G	91	Very high	89.3	Confident	89 Å²	89	95 Å²	95	92%	0.918	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	10.3	-177.4	0	0	0	0	0	115.7	F193	F193-G195 PolarHBondContact O-N 3.39Å
196	C	92.3	Very high	90.7	Very high	20 Å²	20	90.3 Å²	90.3	14%	0.135	47%	0.469	C	S	.	.			trans	-118.1	91.4	177.5	-155.6	0	0	0	0	114.3	C191 F193 P194 K198 H209 H213	C191-C196 HydrophobicContact CB-CB 4.5Å; C191-C196 WeakPolarHBondContact CB-O 3.31Å; F193-C196 HydrophobicContact CB-CB 4.33Å; F193-C196 PolarHBondContact O-N 3.26Å; P194-C196 VanDerWaalsContact C-N 3.31Å; P194-C196 PolarHBondContact O-N 3.44Å; C196-K198 PolarHBondContact O-N 3.15Å; C196-H209 PolarHBondContact SG-NE2 2.94Å; C196-H209 VanDerWaalsContact SG-NE2 3.42Å; C196-H213 PolarHBondContact SG-CE1 3.4Å; C196-H213 PolarHBondContact SG-NE2 3.39Å; C196-H213 VanDerWaalsContact SG-NE2 3.41Å
197	E	91.2	Very high	91.7	Very high	185 Å²	185	87.4 Å²	87.4	86%	0.864	46%	0.457	S	S	*	.			trans	-73.9	13	-178.6	-58.4	175	-177.1	0	0	114.8	R199	E197-R199 PolarHBondContact O-N 2.91Å
198	K	92.7	Very high	92	Very high	115 Å²	115	83.3 Å²	83.3	50%	0.5	44%	0.444	S	S	.	.			trans	-76	128.9	-170.5	-69	-177.6	-179.5	175	0	111.9	C191 C196 Y200	C191-K198 WeakPolarHBondContact CB-O 3.45Å; C191-K198 PolarHBondContact N-O 3.03Å; C196-K198 PolarHBondContact O-N 3.15Å; K198-Y200 HydrophobicContact CB-CE2 3.81Å
199	R	94.9	Very high	92.2	Very high	126 Å²	126	76.7 Å²	76.7	48%	0.475	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	148.3	180	-53.6	-178.5	64.4	140.2	6.8	112.1	K187 Y189 A190 E197	K187-R199 HydrophobicContact CB-CB 3.59Å; K187-R199 HydrophobicContact CD-CB 4.16Å; K187-R199 HydrophobicContact CG-CB 4.47Å; K187-R199 PolarHBondContact O-NE 2.72Å; K187-R199 PolarHBondContact O-NH2 3.19Å; Y189-R199 CarbonylContact O-C 3.25Å; Y189-R199 WeakPolarHBondContact O-CA 3.41Å; A190-R199 HydrophobicContact CB-CG 3.99Å; E197-R199 PolarHBondContact O-N 2.91Å
200	Y	94	Very high	92.1	Very high	55 Å²	55	76.3 Å²	76.3	22%	0.216	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	155.4	-171.1	-62.8	-87.5	0	0	0	112.4	K187 K188 Y189 K198 H205 L206 H209	K187-Y200 CarbonylContact C-O 3.55Å; K187-Y200 WeakPolarHBondContact CA-O 3.48Å; K188-Y200 PolarHBondContact N-O 3.1Å; Y189-Y200 PolarHBondContact N-O 2.93Å; Y189-Y200 VanDerWaalsContact N-O 3.16Å; Y189-Y200 PolarHBondContact O-N 2.85Å; K198-Y200 HydrophobicContact CB-CE2 3.81Å; Y200-H205 HydrophobicContact CD1-CB 3.7Å; Y200-H205 HydrophobicContact CG-CB 4.14Å; Y200-L206 HydrophobicContact CD2-CB 4.13Å; Y200-L206 HydrophobicContact CD2-CD1 4Å; Y200-L206 HydrophobicContact CE2-CD1 4.37Å; Y200-L206 HydrophobicContact CG-CB 4.42Å; Y200-H209 HydrophobicContact CE1-CB 4.29Å; Y200-H209 HydrophobicContact CE2-CB 3.78Å; Y200-H209 AromaticContact CE2-CD2 3.34Å; Y200-H209 WeakPolarHBondContact CE2-CD2 3.5Å; Y200-H209 AromaticContact CE2-CG 3.66Å; Y200-H209 AromaticContact CZ-CD2 3.78Å; Y200-H209 AromaticContact CZ-CG 3.63Å
201	L	93	Very high	92.1	Very high	93 Å²	93	76.9 Å²	76.9	49%	0.487	41%	0.407	S	S	.	.	S	Bend	trans	-81.9	-27.3	177	-64.5	178	0	0	0	113.3	V185 K187 Y189	V185-L201 HydrophobicContact CB-CD2 4.15Å; V185-L201 HydrophobicContact CG1-CD1 4.41Å; V185-L201 HydrophobicContact CG1-CD2 3.53Å; V185-L201 WeakPolarHBondContact O-CD2 3.47Å; K187-L201 HydrophobicContact CG-CD2 3.75Å; K187-L201 HydrophobicContact CG-CG 4.26Å; Y189-L201 WeakPolarHBondContact CE2-O 3.33Å
202	K	91.3	Very high	91.9	Very high	127 Å²	127	82.2 Å²	82.2	55%	0.552	43%	0.433	S	S	*	.	S	Bend	trans	-126.1	142.4	-178.4	-61.8	-168.6	176.2	-167.8	0	111	Y189 S204 H205 L206	Y189-K202 VanDerWaalsContact CD2-C 3.43Å; K202-S204 VanDerWaalsContact C-N 3.26Å; K202-S204 PolarHBondContact O-N 3.36Å; K202-H205 PolarHBondContact O-N 3.29Å; K202-H205 VanDerWaalsContact O-N 3.11Å; K202-L206 PolarHBondContact O-N 3.22Å
203	S	92.2	Very high	91.9	Very high	53 Å²	53	79 Å²	79	37%	0.371	41%	0.41	S	S	.	.	H	α-helix	trans	-56.9	-38.7	175	55.3	0	0	0	0	112.2	H205 L206 K207	S203-H205 VanDerWaalsContact C-N 3.33Å; S203-H205 PolarHBondContact O-N 2.81Å; S203-L206 PolarHBondContact O-N 3.33Å; S203-K207 WeakPolarHBondContact O-CB 3.48Å; S203-K207 PolarHBondContact O-N 3.46Å
204	S	89.7	Confident	91.9	Very high	67 Å²	67	78.2 Å²	78.2	47%	0.469	41%	0.413	S	S	.	.	H	α-helix	trans	-59.9	-38.1	175.2	58.6	0	0	0	0	113.2	K202 K207 A208	K202-S204 VanDerWaalsContact C-N 3.26Å; K202-S204 PolarHBondContact O-N 3.36Å; S204-K207 PolarHBondContact O-N 2.89Å; S204-A208 WeakPolarHBondContact O-CB 3.37Å; S204-A208 PolarHBondContact O-N 2.98Å
205	H	92.7	Very high	91.8	Very high	102 Å²	102	75.6 Å²	75.6	47%	0.472	41%	0.406	S	S	.	.	H	α-helix	trans	-71.6	-37.4	176.9	-65.9	-169	0	0	0	111.3	Y200 K202 S203 A208 H209	Y200-H205 HydrophobicContact CD1-CB 3.7Å; Y200-H205 HydrophobicContact CG-CB 4.14Å; K202-H205 PolarHBondContact O-N 3.29Å; K202-H205 VanDerWaalsContact O-N 3.11Å; S203-H205 VanDerWaalsContact C-N 3.33Å; S203-H205 PolarHBondContact O-N 2.81Å; H205-A208 PolarHBondContact O-N 3Å; H205-H209 WeakPolarHBondContact O-CB 3.39Å; H205-H209 PolarHBondContact O-N 2.77Å
206	L	93.6	Very high	91.6	Very high	11 Å²	11	74.5 Å²	74.5	6%	0.058	38%	0.377	C	S	.	.	H	α-helix	trans	-64.5	-45	172.1	174.7	61.7	0	0	0	111.4	A190 C191 Y200 K202 S203 A208 H209 Y210	A190-L206 WeakPolarHBondContact O-CD1 3.46Å; A190-L206 WeakPolarHBondContact O-CD2 3.2Å; C191-L206 HydrophobicContact CB-CD1 4.01Å; Y200-L206 HydrophobicContact CD2-CB 4.13Å; Y200-L206 HydrophobicContact CD2-CD1 4Å; Y200-L206 HydrophobicContact CE2-CD1 4.37Å; Y200-L206 HydrophobicContact CG-CB 4.42Å; K202-L206 PolarHBondContact O-N 3.22Å; S203-L206 PolarHBondContact O-N 3.33Å; L206-A208 VanDerWaalsContact C-N 3.34Å; L206-A208 PolarHBondContact O-N 3.14Å; L206-H209 WeakPolarHBondContact O-CB 3.39Å; L206-H209 PolarHBondContact O-N 3.42Å; L206-H209 VanDerWaalsContact O-N 3.09Å; L206-Y210 HydrophobicContact CD1-CD2 3.82Å; L206-Y210 HydrophobicContact CD1-CE2 3.6Å; L206-Y210 HydrophobicContact CD2-CE2 4.02Å; L206-Y210 HydrophobicContact CG-CD2 3.84Å; L206-Y210 HydrophobicContact CG-CE2 3.69Å; L206-Y210 WeakPolarHBondContact O-CD2 3.06Å; L206-Y210 PolarHBondContact O-N 2.9Å
207	K	91.2	Very high	91.4	Very high	113 Å²	113	78.7 Å²	78.7	49%	0.491	39%	0.39	S	S	.	.	H	α-helix	trans	-61	-42	176.6	-170.7	172.3	-176.8	174	0	111.6	S203 S204 H209 Y210	S203-K207 WeakPolarHBondContact O-CB 3.48Å; S203-K207 PolarHBondContact O-N 3.46Å; S204-K207 PolarHBondContact O-N 2.89Å; K207-H209 VanDerWaalsContact C-N 3.33Å; K207-Y210 PolarHBondContact O-N 2.91Å
208	A	89.9	Confident	91.1	Very high	26 Å²	26	72.8 Å²	72.8	22%	0.215	37%	0.368	C	S	.	.	H	α-helix	trans	-66.4	-32.2	173.3	0	0	0	0	0	113.1	S204 H205 L206 R249	S204-A208 WeakPolarHBondContact O-CB 3.37Å; S204-A208 PolarHBondContact O-N 2.98Å; H205-A208 PolarHBondContact O-N 3Å; L206-A208 VanDerWaalsContact C-N 3.34Å; L206-A208 PolarHBondContact O-N 3.14Å; A208-R249 HydrophobicContact CB-CG 4.19Å
209	H	92.6	Very high	90.9	Very high	7 Å²	7	70.1 Å²	70.1	3%	0.032	36%	0.358	C	S	.	.	H	α-helix	trans	-70.2	-42.2	173.7	167.1	41.7	0	0	0	112.7	C196 Y200 H205 L206 K207 R211 I212 H213	C196-H209 PolarHBondContact SG-NE2 2.94Å; C196-H209 VanDerWaalsContact SG-NE2 3.42Å; Y200-H209 HydrophobicContact CE1-CB 4.29Å; Y200-H209 HydrophobicContact CE2-CB 3.78Å; Y200-H209 AromaticContact CE2-CD2 3.34Å; Y200-H209 WeakPolarHBondContact CE2-CD2 3.5Å; Y200-H209 AromaticContact CE2-CG 3.66Å; Y200-H209 AromaticContact CZ-CD2 3.78Å; Y200-H209 AromaticContact CZ-CG 3.63Å; H205-H209 WeakPolarHBondContact O-CB 3.39Å; H205-H209 PolarHBondContact O-N 2.77Å; L206-H209 WeakPolarHBondContact O-CB 3.39Å; L206-H209 PolarHBondContact O-N 3.42Å; L206-H209 VanDerWaalsContact O-N 3.09Å; K207-H209 VanDerWaalsContact C-N 3.33Å; H209-R211 PolarHBondContact O-N 3.23Å; H209-I212 VanDerWaalsContact O-CB 3.28Å; H209-I212 WeakPolarHBondContact O-CB 3.5Å; H209-I212 WeakPolarHBondContact O-CG1 3.44Å; H209-I212 PolarHBondContact O-N 2.83Å; H209-H213 AromaticContact CE1-CE1 3.64Å; H209-H213 AromaticContact CE1-NE2 3.19Å; H209-H213 PolarHBondContact CE1-NE2 3.13Å; H209-H213 AromaticContact NE2-CE1 3.98Å; H209-H213 AromaticContact NE2-NE2 3.17Å; H209-H213 PolarHBondContact NE2-NE2 3.02Å; H209-H213 VanDerWaalsContact NE2-NE2 3.17Å
210	Y	89.9	Confident	90.7	Very high	33 Å²	33	67.5 Å²	67.5	13%	0.129	36%	0.357	C	S	.	.	H	α-helix	trans	-54.8	-28.3	179.8	-94.3	-66.9	0	0	0	113.5	I164 T192 F193 L206 K207 I212 H213 T214	I164-Y210 HydrophobicContact CG2-CD2 4.42Å; I164-Y210 HydrophobicContact CG2-CE2 4.5Å; T192-Y210 VanDerWaalsContact CB-OH 3.28Å; T192-Y210 WeakPolarHBondContact CB-OH 3.33Å; T192-Y210 PolarHBondContact N-OH 3.36Å; T192-Y210 PolarHBondContact OG1-OH 3.09Å; F193-Y210 HydrophobicContact CB-CE1 4.37Å; L206-Y210 HydrophobicContact CD1-CD2 3.82Å; L206-Y210 HydrophobicContact CD1-CE2 3.6Å; L206-Y210 HydrophobicContact CD2-CE2 4.02Å; L206-Y210 HydrophobicContact CG-CD2 3.84Å; L206-Y210 HydrophobicContact CG-CE2 3.69Å; L206-Y210 WeakPolarHBondContact O-CD2 3.06Å; L206-Y210 PolarHBondContact O-N 2.9Å; K207-Y210 PolarHBondContact O-N 2.91Å; Y210-I212 PolarHBondContact O-N 2.67Å; Y210-H213 WeakPolarHBondContact O-CB 3.11Å; Y210-H213 PolarHBondContact O-N 3.31Å; Y210-T214 PolarHBondContact O-N 3.34Å; Y210-T214 PolarHBondContact O-OG1 3.34Å
211	R	92.1	Very high	90.5	Very high	52 Å²	52	65 Å²	65	20%	0.196	35%	0.347	C	S	.	.	H	α-helix	trans	-61	-19.8	173.9	-63.4	-169.5	165	152.4	-0.9	114.8	H209 H213 T214 G215 E216 A248	H209-R211 PolarHBondContact O-N 3.23Å; R211-H213 VanDerWaalsContact C-N 3.34Å; R211-T214 WeakPolarHBondContact CA-OG1 3.43Å; R211-G215 WeakPolarHBondContact O-CA 3.43Å; R211-G215 PolarHBondContact O-N 3.47Å; R211-E216 HydrophobicContact CG-CB 4.15Å; R211-E216 WeakPolarHBondContact CG-OE2 3.16Å; R211-E216 IonicContact CZ-OE1 3.18Å; R211-E216 IonicContact CZ-OE2 2.84Å; R211-E216 IonicContact NE-OE1 2.99Å; R211-E216 PolarHBondContact NE-OE1 2.94Å; R211-E216 IonicContact NE-OE2 2.93Å; R211-E216 PolarHBondContact NE-OE2 2.96Å; R211-E216 IonicContact NH2-OE1 3.26Å; R211-E216 PolarHBondContact NH2-OE1 3.03Å; R211-E216 IonicContact NH2-OE2 2.78Å; R211-E216 PolarHBondContact O-N 2.94Å; R211-A248 HydrophobicContact CB-CB 4.14Å; R211-A248 WeakPolarHBondContact CD-O 3.42Å; R211-A248 PolarHBondContact NH1-O 2.49Å
212	I	91	Very high	90.3	Very high	127 Å²	127	65.5 Å²	65.5	65%	0.651	35%	0.354	S	S	*	.	H	α-helix	trans	-71.1	-34.5	171.9	-58	178.4	0	0	0	110.4	H209 Y210	H209-I212 VanDerWaalsContact O-CB 3.28Å; H209-I212 WeakPolarHBondContact O-CB 3.5Å; H209-I212 WeakPolarHBondContact O-CG1 3.44Å; H209-I212 PolarHBondContact O-N 2.83Å; Y210-I212 PolarHBondContact O-N 2.67Å
213	H	92.9	Very high	90.1	Very high	49 Å²	49	63 Å²	63	23%	0.227	34%	0.341	C	S	.	.	H	α-helix	trans	-85.5	-39.1	179.8	-55.3	-46.4	0	0	0	112.7	C191 F193 C196 H209 Y210 R211	C191-H213 VanDerWaalsContact SG-CD2 3.58Å; C191-H213 PolarHBondContact SG-NE2 2.86Å; C191-H213 VanDerWaalsContact SG-NE2 3.35Å; F193-H213 HydrophobicContact CB-CB 4.48Å; F193-H213 VanDerWaalsContact CB-CD2 3.43Å; F193-H213 WeakPolarHBondContact CB-CD2 3.48Å; F193-H213 HydrophobicContact CD1-CB 4.21Å; F193-H213 AromaticContact CD1-CE1 3.91Å; F193-H213 AromaticContact CD1-CG 3.77Å; F193-H213 AromaticContact CD1-ND1 3.68Å; F193-H213 HydrophobicContact CD2-CB 3.67Å; F193-H213 AromaticContact CD2-CG 3.96Å; F193-H213 HydrophobicContact CE1-CB 4.37Å; F193-H213 HydrophobicContact CE2-CB 3.86Å; F193-H213 HydrophobicContact CG-CB 3.85Å; F193-H213 AromaticContact CG-CD2 3.67Å; F193-H213 AromaticContact CG-CG 3.59Å; F193-H213 HydrophobicContact CZ-CB 4.21Å; C196-H213 PolarHBondContact SG-CE1 3.4Å; C196-H213 PolarHBondContact SG-NE2 3.39Å; C196-H213 VanDerWaalsContact SG-NE2 3.41Å; H209-H213 AromaticContact CE1-CE1 3.64Å; H209-H213 AromaticContact CE1-NE2 3.19Å; H209-H213 PolarHBondContact CE1-NE2 3.13Å; H209-H213 AromaticContact NE2-CE1 3.98Å; H209-H213 AromaticContact NE2-NE2 3.17Å; H209-H213 PolarHBondContact NE2-NE2 3.02Å; H209-H213 VanDerWaalsContact NE2-NE2 3.17Å; Y210-H213 WeakPolarHBondContact O-CB 3.11Å; Y210-H213 PolarHBondContact O-N 3.31Å; R211-H213 VanDerWaalsContact C-N 3.34Å
214	T	90.6	Very high	89.6	Confident	83 Å²	83	63.4 Å²	63.4	51%	0.509	34%	0.343	S	S	.	.	H	α-helix	trans	-83.3	-15.1	179.5	62.4	0	0	0	0	113.7	Y210 R211 E216	Y210-T214 PolarHBondContact O-N 3.34Å; Y210-T214 PolarHBondContact O-OG1 3.34Å; R211-T214 WeakPolarHBondContact CA-OG1 3.43Å; T214-E216 PolarHBondContact O-N 3.43Å; T214-E216 WeakPolarHBondContact OG1-CB 3.42Å; T214-E216 PolarHBondContact OG1-N 3.23Å
215	G	88.7	Confident	88.7	Confident	54 Å²	54	63.9 Å²	63.9	56%	0.557	34%	0.335	S	S	*	.			trans	68.6	10	-172.1	0	0	0	0	0	114.4	R211 R217	R211-G215 WeakPolarHBondContact O-CA 3.43Å; R211-G215 PolarHBondContact O-N 3.47Å; G215-R217 PolarHBondContact O-N 2.95Å
216	E	87.3	Confident	87.1	Confident	67 Å²	67	64.1 Å²	64.1	31%	0.313	35%	0.345	S	S	.	.			trans	-66.2	118.1	-176.5	-171.8	-141.4	144.4	0	0	111.4	R211 T214 P218	R211-E216 HydrophobicContact CG-CB 4.15Å; R211-E216 WeakPolarHBondContact CG-OE2 3.16Å; R211-E216 IonicContact CZ-OE1 3.18Å; R211-E216 IonicContact CZ-OE2 2.84Å; R211-E216 IonicContact NE-OE1 2.99Å; R211-E216 PolarHBondContact NE-OE1 2.94Å; R211-E216 IonicContact NE-OE2 2.93Å; R211-E216 PolarHBondContact NE-OE2 2.96Å; R211-E216 IonicContact NH2-OE1 3.26Å; R211-E216 PolarHBondContact NH2-OE1 3.03Å; R211-E216 IonicContact NH2-OE2 2.78Å; R211-E216 PolarHBondContact O-N 2.94Å; T214-E216 PolarHBondContact O-N 3.43Å; T214-E216 WeakPolarHBondContact OG1-CB 3.42Å; T214-E216 PolarHBondContact OG1-N 3.23Å; E216-P218 VanDerWaalsContact OE1-CG 3.24Å; E216-P218 WeakPolarHBondContact OE1-CG 3.3Å
217	R	88.4	Confident	85.2	Confident	108 Å²	108	70.3 Å²	70.3	41%	0.408	37%	0.368	S	S	.	.			trans	-125.4	72.2	178.7	-59.4	-175.2	75	75.4	0.9	110.2	G215 L219 T246 F247 A248 E252	G215-R217 PolarHBondContact O-N 2.95Å; R217-L219 VanDerWaalsContact C-N 3.31Å; R217-L219 PolarHBondContact O-N 3.36Å; R217-T246 VanDerWaalsContact CZ-O 3.29Å; R217-T246 PolarHBondContact NE-O 3.09Å; R217-T246 PolarHBondContact NH2-O 2.49Å; R217-F247 CarbonylContact C-O 3.44Å; R217-F247 VanDerWaalsContact C-O 3.25Å; R217-F247 WeakPolarHBondContact CA-O 3.42Å; R217-A248 HydrophobicContact CG-CB 4.48Å; R217-E252 IonicContact NH2-OE2 2.76Å
218	P	84.8	Confident	83.2	Confident	60 Å²	60	68.4 Å²	68.4	39%	0.39	36%	0.363	S	S	.	.			trans	-76.4	-16.4	-166.7	34.3	-39.9	0	0	0	113.9	E216 F247	E216-P218 VanDerWaalsContact OE1-CG 3.24Å; E216-P218 WeakPolarHBondContact OE1-CG 3.3Å; P218-F247 WeakPolarHBondContact CD-O 3.47Å
219	L	88.7	Confident	81.4	Confident	59 Å²	59	72.2 Å²	72.2	31%	0.309	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	113.4	-176.1	-57.6	-178.7	0	0	0	109.8	R217 T246 F247 S250 L253	R217-L219 VanDerWaalsContact C-N 3.31Å; R217-L219 PolarHBondContact O-N 3.36Å; L219-T246 CarbonylContact O-C 3.49Å; L219-T246 WeakPolarHBondContact O-CA 3.35Å; L219-F247 HydrophobicContact CB-CB 4.19Å; L219-F247 PolarHBondContact N-O 2.77Å; L219-F247 PolarHBondContact O-N 2.91Å; L219-S250 VanDerWaalsContact CD1-CA 3.49Å; L219-L253 HydrophobicContact CB-CD2 4.06Å
220	V	89.5	Confident	79.6	Confident	72 Å²	72	75.7 Å²	75.7	44%	0.436	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	133.2	-176.8	-168.3	0	0	0	0	110.6	V222 T246	V220-V222 PolarHBondContact O-N 3.3Å; V220-T246 HydrophobicContact CG2-CG2 4.25Å
221	C	91.6	Very high	77.7	Confident	1 Å²	1	77.8 Å²	77.8	1%	0.007	43%	0.432	C	S	.	.			trans	-79.9	103.9	171.7	-173	0	0	0	0	110.5	Y223 C243 G244 K245 F247 L253 H256 H260	C221-Y223 VanDerWaalsContact C-N 3.31Å; C221-C243 HydrophobicContact CB-CB 4.15Å; C221-C243 WeakPolarHBondContact O-CB 2.64Å; C221-G244 PolarHBondContact O-N 3.22Å; C221-K245 HydrophobicContact CB-CB 4.5Å; C221-K245 PolarHBondContact N-O 3.42Å; C221-F247 HydrophobicContact CB-CE2 4.06Å; C221-L253 HydrophobicContact CB-CD1 3.75Å; C221-H256 VanDerWaalsContact SG-CD2 3.5Å; C221-H256 PolarHBondContact SG-NE2 2.95Å; C221-H260 PolarHBondContact SG-NE2 2.92Å
222	V	88.4	Confident	76.1	Confident	105 Å²	105	84 Å²	84	64%	0.636	46%	0.461	S	S	*	.			trans	-87.8	7.3	177.2	-62.1	0	0	0	0	113.6	V220	V220-V222 PolarHBondContact O-N 3.3Å
223	Y	86	Confident	74.5	Confident	73 Å²	73	80.5 Å²	80.5	29%	0.286	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-57.4	126.5	-178.1	-171.5	-86.3	0	0	0	111.3	C221 I242 C243 H260 L261	C221-Y223 VanDerWaalsContact C-N 3.31Å; Y223-I242 CarbonylContact O-C 3.17Å; Y223-I242 WeakPolarHBondContact O-CA 3.37Å; Y223-C243 PolarHBondContact O-N 3.37Å; Y223-H260 HydrophobicContact CD1-CB 3.58Å; Y223-H260 AromaticContact CD1-CD2 3.93Å; Y223-H260 AromaticContact CD1-CG 3.42Å; Y223-H260 VanDerWaalsContact CD1-CG 3.42Å; Y223-H260 AromaticContact CD1-ND1 3.51Å; Y223-H260 HydrophobicContact CD2-CB 3.91Å; Y223-H260 HydrophobicContact CE1-CB 3.61Å; Y223-H260 AromaticContact CE1-CG 3.92Å; Y223-H260 AromaticContact CE1-ND1 3.99Å; Y223-H260 HydrophobicContact CE2-CB 3.92Å; Y223-H260 HydrophobicContact CG-CB 3.74Å; Y223-H260 AromaticContact CG-CD2 3.77Å; Y223-H260 AromaticContact CG-CG 3.65Å; Y223-L261 HydrophobicContact CE2-CD2 3.87Å
224	P	82.7	Confident	72.5	Confident	62 Å²	62	82.7 Å²	82.7	40%	0.403	46%	0.461	S	S	.	.	B	Isolated β-bridge	trans	-73.6	124.5	177	28.7	-32.4	0	0	0	110.6	I240	P224-I240 HydrophobicContact CB-CG2 3.54Å
225	Y	70.7	Confident	70.9	Confident	78 Å²	78	84.7 Å²	84.7	31%	0.306	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-67.4	135.8	163.5	-63.1	-69.4	0	0	0	108.9	P241 C243 H260	Y225-P241 WeakPolarHBondContact CB-O 2.9Å; Y225-P241 WeakPolarHBondContact CD2-O 3.25Å; Y225-P241 PolarHBondContact N-O 2.78Å; Y225-C243 HydrophobicContact CE2-CB 4.23Å; Y225-C243 PolarHBondContact OH-SG 3.29Å; Y225-H260 AromaticContact CD1-CE1 3.42Å; Y225-H260 VanDerWaalsContact CD1-CE1 3.42Å; Y225-H260 WeakPolarHBondContact CD1-CE1 3.44Å; Y225-H260 AromaticContact CE1-CE1 2.64Å; Y225-H260 WeakPolarHBondContact CE1-CE1 3.35Å; Y225-H260 AromaticContact CZ-CE1 3.09Å; Y225-H260 PolarHBondContact OH-CE1 3.21Å; Y225-H260 VanDerWaalsContact OH-CE1 3.28Å
226	P	59.1	Low	69.6	Low	106 Å²	106	89.6 Å²	89.6	69%	0.688	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-55.1	144.3	157.7	26.8	-33.3	0	0	0	108.6	N228	P226-N228 PolarHBondContact O-N 2.86Å; P226-N228 VanDerWaalsContact O-N 3.14Å
227	R	52.8	Low	68.4	Low	142 Å²	142	88.6 Å²	88.6	54%	0.536	48%	0.481	S	S	.	.	S	Bend	trans	-43.7	121.6	-171	-95.2	-178.6	-77.2	-140.2	-8.9	110.8	I229 I235	R227-I229 PolarHBondContact O-N 3.25Å; R227-I235 PolarHBondContact NH1-O 3.13Å
228	N	49.9	Very low	67.1	Low	73 Å²	73	91.7 Å²	91.7	39%	0.39	51%	0.505	S	S	.	.			trans	-63.5	121.9	-161.1	-173.8	-9.3	0	0	0	111.4	P226 T230 I233	P226-N228 PolarHBondContact O-N 2.86Å; P226-N228 VanDerWaalsContact O-N 3.14Å; N228-T230 PolarHBondContact ND2-OG1 2.82Å; N228-T230 CarbonylContact O-C 3.36Å; N228-T230 PolarHBondContact O-N 2.87Å; N228-T230 VanDerWaalsContact O-O 3.06Å; N228-T230 PolarHBondContact OD1-N 3.01Å; N228-T230 PolarHBondContact OD1-OG1 3.18Å; N228-I233 HydrophobicContact CB-CD1 4.18Å
229	I	52.4	Low	66.1	Low	106 Å²	106	94 Å²	94	54%	0.544	52%	0.518	S	S	.	.	S	Bend	trans	-56.7	-31.5	178	-68.6	171.9	0	0	0	111.7	R227 G231 Y318	R227-I229 PolarHBondContact O-N 3.25Å; I229-G231 PolarHBondContact O-N 3.15Å; I229-Y318 HydrophobicContact CG2-CD1 3.58Å; I229-Y318 HydrophobicContact CG2-CD2 4.46Å; I229-Y318 HydrophobicContact CG2-CE1 3.2Å; I229-Y318 HydrophobicContact CG2-CE2 4.13Å; I229-Y318 HydrophobicContact CG2-CG 4.21Å; I229-Y318 VanDerWaalsContact CG2-CZ 3.5Å
230	T	53.3	Low	65.2	Low	79 Å²	79	96.8 Å²	96.8	49%	0.485	53%	0.532	S	S	.	.	S	Bend	trans	-73.1	108.1	163.3	67.2	0	0	0	0	108.3	N228 K232	N228-T230 PolarHBondContact ND2-OG1 2.82Å; N228-T230 CarbonylContact O-C 3.36Å; N228-T230 PolarHBondContact O-N 2.87Å; N228-T230 VanDerWaalsContact O-O 3.06Å; N228-T230 PolarHBondContact OD1-N 3.01Å; N228-T230 PolarHBondContact OD1-OG1 3.18Å; T230-K232 PolarHBondContact O-N 2.99Å
231	G	51	Low	64.5	Low	78 Å²	78	94.7 Å²	94.7	80%	0.804	52%	0.52	S	S	*	.	S	Bend	trans	-66.7	47.2	-169.9	0	0	0	0	0	116.7	I229	I229-G231 PolarHBondContact O-N 3.15Å
232	K	58.9	Low	64.1	Low	183 Å²	183	99.4 Å²	99.4	80%	0.796	54%	0.544	S	S	*	.			trans	-91	0.2	176.7	-61.5	-171.5	175.3	-171.2	0	113.2	T230	T230-K232 PolarHBondContact O-N 2.99Å
233	I	55.9	Low	64.1	Low	53 Å²	53	95 Å²	95	27%	0.272	52%	0.518	S	S	.	.	S	Bend	trans	-128.2	119.1	179.6	-57	175.4	0	0	0	106.7	N228 I235 P241	N228-I233 HydrophobicContact CB-CD1 4.18Å; I233-I235 PolarHBondContact O-N 3.04Å; I233-P241 HydrophobicContact CD1-CB 3.63Å; I233-P241 HydrophobicContact CD1-CG 3.67Å
234	P	52.9	Low	64.2	Low	94 Å²	94	93.4 Å²	93.4	61%	0.61	52%	0.524	S	S	*	.			trans	-56.6	136.2	174.8	-25.4	34.9	0	0	0	110.9	N236 S237	P234-N236 PolarHBondContact O-N 2.95Å; P234-N236 VanDerWaalsContact O-N 3.1Å; P234-S237 VanDerWaalsContact O-CB 3.25Å; P234-S237 WeakPolarHBondContact O-CB 3.4Å; P234-S237 PolarHBondContact O-N 3.21Å
235	I	56.9	Low	64.5	Low	125 Å²	125	95.7 Å²	95.7	64%	0.641	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-32.9	-176.9	-51.2	175.1	0	0	0	111	R227 I233 S237	R227-I235 PolarHBondContact NH1-O 3.13Å; I233-I235 PolarHBondContact O-N 3.04Å; I235-S237 PolarHBondContact O-N 2.72Å
236	N	60	Low	65.5	Low	158 Å²	158	94.8 Å²	94.8	85%	0.845	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	2.3	179.9	-54.8	9.9	0	0	0	113.9	P234 L238	P234-N236 PolarHBondContact O-N 2.95Å; P234-N236 VanDerWaalsContact O-N 3.1Å; N236-L238 PolarHBondContact O-N 2.99Å
237	S	61.6	Low	67	Low	45 Å²	45	90.9 Å²	90.9	32%	0.315	50%	0.502	S	S	.	.			trans	-71.3	121.7	175.7	-165.3	0	0	0	0	110.4	P234 I235 T239	P234-S237 VanDerWaalsContact O-CB 3.25Å; P234-S237 WeakPolarHBondContact O-CB 3.4Å; P234-S237 PolarHBondContact O-N 3.21Å; I235-S237 PolarHBondContact O-N 2.72Å; S237-T239 PolarHBondContact O-N 2.89Å; S237-T239 PolarHBondContact OG-OG1 2.84Å
238	L	61.3	Low	68.6	Low	174 Å²	174	84.5 Å²	84.5	91%	0.911	48%	0.479	S	S	*	.	S	Bend	trans	-73.2	-14.2	-179.2	-170.8	59.6	0	0	0	112.9	N236	N236-L238 PolarHBondContact O-N 2.99Å
239	T	63.9	Low	70.4	Confident	107 Å²	107	85.2 Å²	85.2	66%	0.656	48%	0.477	S	S	*	.	S	Bend	trans	-91.8	117.2	179.2	45.4	0	0	0	0	111.5	S237	S237-T239 PolarHBondContact O-N 2.89Å; S237-T239 PolarHBondContact OG-OG1 2.84Å
240	I	71	Confident	72.1	Confident	119 Å²	119	84.1 Å²	84.1	61%	0.61	48%	0.478	S	S	*	.			trans	-71.3	124.6	175.4	-55.9	175.7	0	0	0	109	P224 I242	P224-I240 HydrophobicContact CB-CG2 3.54Å; I240-I242 PolarHBondContact O-N 2.82Å
241	P	74	Confident	73.7	Confident	27 Å²	27	83.6 Å²	83.6	18%	0.175	47%	0.473	C	S	.	.			trans	-70.7	114.8	-177.3	26.9	-34.3	0	0	0	111.9	Y225 I233	Y225-P241 WeakPolarHBondContact CB-O 2.9Å; Y225-P241 WeakPolarHBondContact CD2-O 3.25Å; Y225-P241 PolarHBondContact N-O 2.78Å; I233-P241 HydrophobicContact CD1-CB 3.63Å; I233-P241 HydrophobicContact CD1-CG 3.67Å
242	I	83.7	Confident	75.6	Confident	101 Å²	101	81.3 Å²	81.3	52%	0.518	44%	0.441	S	S	.	.	B	Isolated β-bridge	trans	-86.6	160.9	177.1	61	170.1	0	0	0	113.1	Y223 I240	Y223-I242 CarbonylContact O-C 3.17Å; Y223-I242 WeakPolarHBondContact O-CA 3.37Å; I240-I242 PolarHBondContact O-N 2.82Å
243	C	88.1	Confident	77.1	Confident	12 Å²	12	74 Å²	74	8%	0.081	41%	0.411	C	S	.	.			trans	-67.3	-39.6	-175.8	-170.6	0	0	0	0	114.6	C221 Y223 Y225 K245 H256 H260	C221-C243 HydrophobicContact CB-CB 4.15Å; C221-C243 WeakPolarHBondContact O-CB 2.64Å; Y223-C243 PolarHBondContact O-N 3.37Å; Y225-C243 HydrophobicContact CE2-CB 4.23Å; Y225-C243 PolarHBondContact OH-SG 3.29Å; C243-K245 PolarHBondContact O-N 3.23Å; C243-H256 PolarHBondContact SG-NE2 2.97Å; C243-H260 WeakPolarHBondContact CB-CE1 3.25Å; C243-H260 WeakPolarHBondContact CB-NE2 3.4Å; C243-H260 PolarHBondContact SG-CE1 3.5Å; C243-H260 PolarHBondContact SG-NE2 3.09Å
244	G	88.6	Confident	78.7	Confident	40 Å²	40	74.9 Å²	74.9	41%	0.412	42%	0.418	S	S	.	.			trans	67.4	-4.4	175.5	0	0	0	0	0	116.5	C221	C221-G244 PolarHBondContact O-N 3.22Å
245	K	88.8	Confident	80.3	Confident	110 Å²	110	74.9 Å²	74.9	48%	0.478	41%	0.406	S	S	.	.			trans	-71.3	137.5	-174.6	-69.1	-174.9	-180	-174.1	0	112.2	C221 C243 F247	C221-K245 HydrophobicContact CB-CB 4.5Å; C221-K245 PolarHBondContact N-O 3.42Å; C243-K245 PolarHBondContact O-N 3.23Å; K245-F247 HydrophobicContact CB-CE2 3.75Å; K245-F247 HydrophobicContact CB-CZ 3.92Å; K245-F247 WeakPolarHBondContact O-CD2 3.44Å; K245-F247 VanDerWaalsContact O-CE2 3.24Å; K245-F247 WeakPolarHBondContact O-CE2 3.49Å
246	T	91.6	Very high	81.9	Confident	59 Å²	59	70.1 Å²	70.1	36%	0.362	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	146.3	-174	64.8	0	0	0	0	113.1	R217 L219 V220	R217-T246 VanDerWaalsContact CZ-O 3.29Å; R217-T246 PolarHBondContact NE-O 3.09Å; R217-T246 PolarHBondContact NH2-O 2.49Å; L219-T246 CarbonylContact O-C 3.49Å; L219-T246 WeakPolarHBondContact O-CA 3.35Å; V220-T246 HydrophobicContact CG2-CG2 4.25Å
247	F	90.2	Very high	83.2	Confident	24 Å²	24	65.3 Å²	65.3	11%	0.105	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	142.1	-172.3	-61.5	-80.9	0	0	0	112.1	R217 P218 L219 C221 K245 E252 L253 H256	R217-F247 CarbonylContact C-O 3.44Å; R217-F247 VanDerWaalsContact C-O 3.25Å; R217-F247 WeakPolarHBondContact CA-O 3.42Å; P218-F247 WeakPolarHBondContact CD-O 3.47Å; L219-F247 HydrophobicContact CB-CB 4.19Å; L219-F247 PolarHBondContact N-O 2.77Å; L219-F247 PolarHBondContact O-N 2.91Å; C221-F247 HydrophobicContact CB-CE2 4.06Å; K245-F247 HydrophobicContact CB-CE2 3.75Å; K245-F247 HydrophobicContact CB-CZ 3.92Å; K245-F247 WeakPolarHBondContact O-CD2 3.44Å; K245-F247 VanDerWaalsContact O-CE2 3.24Å; K245-F247 WeakPolarHBondContact O-CE2 3.49Å; F247-E252 HydrophobicContact CB-CB 4.23Å; F247-E252 HydrophobicContact CD1-CB 3.7Å; F247-E252 HydrophobicContact CG-CB 4.31Å; F247-L253 HydrophobicContact CB-CB 4.16Å; F247-L253 HydrophobicContact CD2-CB 4.08Å; F247-L253 HydrophobicContact CD2-CD1 3.8Å; F247-L253 HydrophobicContact CE2-CD1 4.06Å; F247-L253 HydrophobicContact CG-CB 4.13Å; F247-H256 HydrophobicContact CE1-CB 3.87Å; F247-H256 HydrophobicContact CE2-CB 4.13Å; F247-H256 AromaticContact CE2-CD2 3.25Å; F247-H256 WeakPolarHBondContact CE2-CD2 3.43Å; F247-H256 AromaticContact CE2-CG 3.85Å; F247-H256 HydrophobicContact CZ-CB 3.53Å; F247-H256 AromaticContact CZ-CD2 3.22Å; F247-H256 WeakPolarHBondContact CZ-CD2 3.5Å; F247-H256 AromaticContact CZ-CG 3.34Å
248	A	87.7	Confident	84.5	Confident	7 Å²	7	66.5 Å²	66.5	6%	0.058	35%	0.353	C	S	.	.	S	Bend	trans	-83.9	-24.5	-179.7	0	0	0	0	0	112.4	R211 R217	R211-A248 HydrophobicContact CB-CB 4.14Å; R211-A248 WeakPolarHBondContact CD-O 3.42Å; R211-A248 PolarHBondContact NH1-O 2.49Å; R217-A248 HydrophobicContact CG-CB 4.48Å
249	R	87.2	Confident	85.7	Confident	89 Å²	89	65.8 Å²	65.8	34%	0.336	34%	0.342	S	S	.	.	S	Bend	trans	-141	150.8	-173.6	-54	-176.9	-59	109	17.3	110.8	A208 D251 E252 L253	A208-R249 HydrophobicContact CB-CG 4.19Å; R249-D251 WeakPolarHBondContact CB-OD1 3.34Å; R249-D251 IonicContact CZ-OD1 3.48Å; R249-D251 IonicContact CZ-OD2 3.77Å; R249-D251 IonicContact NE-OD1 2.89Å; R249-D251 IonicContact NH1-OD1 3.44Å; R249-D251 PolarHBondContact NH1-OD1 3.32Å; R249-D251 IonicContact NH1-OD2 2.67Å; R249-D251 PolarHBondContact NH1-OD2 2.99Å; R249-D251 IonicContact NH2-OD1 2.86Å; R249-D251 PolarHBondContact NH2-OD1 3.28Å; R249-D251 IonicContact NH2-OD2 3.2Å; R249-D251 PolarHBondContact NH2-OD2 3.22Å; R249-E252 HydrophobicContact CB-CG 4.23Å; R249-E252 IonicContact CZ-OE1 3.63Å; R249-E252 VanDerWaalsContact CZ-OE1 3.26Å; R249-E252 IonicContact NE-OE1 3.69Å; R249-E252 PolarHBondContact NE-OE1 3.19Å; R249-E252 VanDerWaalsContact NH2-CG 3.27Å; R249-E252 IonicContact NH2-OE1 3.31Å; R249-E252 PolarHBondContact NH2-OE1 3.26Å; R249-E252 WeakPolarHBondContact O-CB 3.47Å; R249-E252 PolarHBondContact O-N 3.22Å; R249-L253 PolarHBondContact O-N 3.29Å
250	S	87.5	Confident	86.7	Confident	82 Å²	82	62.1 Å²	62.1	57%	0.573	32%	0.318	S	S	*	.	H	α-helix	trans	-66.4	-39.7	-173.3	44.8	0	0	0	0	113	L219 E252 L253 T254	L219-S250 VanDerWaalsContact CD1-CA 3.49Å; S250-E252 PolarHBondContact O-N 2.87Å; S250-L253 PolarHBondContact O-N 3.28Å; S250-L253 VanDerWaalsContact O-N 3.09Å; S250-T254 PolarHBondContact O-N 2.81Å; S250-T254 PolarHBondContact O-OG1 3.11Å
251	D	87.4	Confident	87.3	Confident	68 Å²	68	59.4 Å²	59.4	36%	0.364	30%	0.304	S	S	.	.	H	α-helix	trans	-57.9	-32.2	174	67.3	-51.9	0	0	0	112.7	R249 R255	R249-D251 WeakPolarHBondContact CB-OD1 3.34Å; R249-D251 IonicContact CZ-OD1 3.48Å; R249-D251 IonicContact CZ-OD2 3.77Å; R249-D251 IonicContact NE-OD1 2.89Å; R249-D251 IonicContact NH1-OD1 3.44Å; R249-D251 PolarHBondContact NH1-OD1 3.32Å; R249-D251 IonicContact NH1-OD2 2.67Å; R249-D251 PolarHBondContact NH1-OD2 2.99Å; R249-D251 IonicContact NH2-OD1 2.86Å; R249-D251 PolarHBondContact NH2-OD1 3.28Å; R249-D251 IonicContact NH2-OD2 3.2Å; R249-D251 PolarHBondContact NH2-OD2 3.22Å; D251-R255 WeakPolarHBondContact O-CB 3.39Å; D251-R255 PolarHBondContact O-N 2.96Å
252	E	90.2	Very high	87.7	Confident	30 Å²	30	61.9 Å²	61.9	14%	0.14	32%	0.316	C	S	.	.	H	α-helix	trans	-70.3	-41.3	175.7	-58.5	174.3	-172.2	0	0	111.9	R217 F247 R249 S250 H256	R217-E252 IonicContact NH2-OE2 2.76Å; F247-E252 HydrophobicContact CB-CB 4.23Å; F247-E252 HydrophobicContact CD1-CB 3.7Å; F247-E252 HydrophobicContact CG-CB 4.31Å; R249-E252 HydrophobicContact CB-CG 4.23Å; R249-E252 IonicContact CZ-OE1 3.63Å; R249-E252 VanDerWaalsContact CZ-OE1 3.26Å; R249-E252 IonicContact NE-OE1 3.69Å; R249-E252 PolarHBondContact NE-OE1 3.19Å; R249-E252 VanDerWaalsContact NH2-CG 3.27Å; R249-E252 IonicContact NH2-OE1 3.31Å; R249-E252 PolarHBondContact NH2-OE1 3.26Å; R249-E252 WeakPolarHBondContact O-CB 3.47Å; R249-E252 PolarHBondContact O-N 3.22Å; S250-E252 PolarHBondContact O-N 2.87Å; E252-H256 VanDerWaalsContact O-CB 3.3Å; E252-H256 WeakPolarHBondContact O-CB 3.49Å; E252-H256 PolarHBondContact O-N 2.83Å
253	L	90.3	Very high	87.7	Confident	31 Å²	31	58.5 Å²	58.5	16%	0.162	30%	0.299	C	S	.	.	H	α-helix	trans	-67.3	-48.8	174.9	175.4	58.2	0	0	0	110.8	L219 C221 F247 R249 S250 R255 H256 L257	L219-L253 HydrophobicContact CB-CD2 4.06Å; C221-L253 HydrophobicContact CB-CD1 3.75Å; F247-L253 HydrophobicContact CB-CB 4.16Å; F247-L253 HydrophobicContact CD2-CB 4.08Å; F247-L253 HydrophobicContact CD2-CD1 3.8Å; F247-L253 HydrophobicContact CE2-CD1 4.06Å; F247-L253 HydrophobicContact CG-CB 4.13Å; R249-L253 PolarHBondContact O-N 3.29Å; S250-L253 PolarHBondContact O-N 3.28Å; S250-L253 VanDerWaalsContact O-N 3.09Å; L253-R255 VanDerWaalsContact C-N 3.31Å; L253-R255 PolarHBondContact O-N 3.3Å; L253-H256 CarbonylContact O-C 3.35Å; L253-H256 WeakPolarHBondContact O-CA 3.34Å; L253-H256 WeakPolarHBondContact O-CB 3.15Å; L253-H256 PolarHBondContact O-N 3.32Å; L253-L257 HydrophobicContact CD1-CD1 4.36Å; L253-L257 HydrophobicContact CD1-CD2 4.49Å; L253-L257 HydrophobicContact CD1-CG 4.12Å; L253-L257 HydrophobicContact CG-CD1 4.23Å; L253-L257 HydrophobicContact CG-CG 4.44Å; L253-L257 WeakPolarHBondContact O-CG 3.35Å; L253-L257 PolarHBondContact O-N 3.36Å
254	T	89.6	Confident	87.7	Confident	70 Å²	70	60.9 Å²	60.9	43%	0.429	31%	0.306	S	S	.	.	H	α-helix	trans	-58.8	-43	177.3	-56	0	0	0	0	111.4	S250 H256 L257 R258	S250-T254 PolarHBondContact O-N 2.81Å; S250-T254 PolarHBondContact O-OG1 3.11Å; T254-H256 VanDerWaalsContact C-N 3.3Å; T254-H256 PolarHBondContact O-N 2.78Å; T254-L257 PolarHBondContact O-N 2.87Å; T254-R258 PolarHBondContact O-N 3.14Å
255	R	88	Confident	87.5	Confident	95 Å²	95	61.9 Å²	61.9	36%	0.358	31%	0.305	S	S	.	.	H	α-helix	trans	-65.4	-30.6	173.5	-176.3	-178.7	67.4	-174.3	-3.2	112.8	D251 L253 R277	D251-R255 WeakPolarHBondContact O-CB 3.39Å; D251-R255 PolarHBondContact O-N 2.96Å; L253-R255 VanDerWaalsContact C-N 3.31Å; L253-R255 PolarHBondContact O-N 3.3Å; R255-R277 HydrophobicContact CG-CG 4.11Å
256	H	90.6	Very high	87.5	Confident	25 Å²	25	59.7 Å²	59.7	12%	0.116	30%	0.296	C	S	.	.	H	α-helix	trans	-74.3	-40.8	174.2	169.3	45.9	0	0	0	112.5	C221 C243 F247 E252 L253 T254 R258 K259 H260	C221-H256 VanDerWaalsContact SG-CD2 3.5Å; C221-H256 PolarHBondContact SG-NE2 2.95Å; C243-H256 PolarHBondContact SG-NE2 2.97Å; F247-H256 HydrophobicContact CE1-CB 3.87Å; F247-H256 HydrophobicContact CE2-CB 4.13Å; F247-H256 AromaticContact CE2-CD2 3.25Å; F247-H256 WeakPolarHBondContact CE2-CD2 3.43Å; F247-H256 AromaticContact CE2-CG 3.85Å; F247-H256 HydrophobicContact CZ-CB 3.53Å; F247-H256 AromaticContact CZ-CD2 3.22Å; F247-H256 WeakPolarHBondContact CZ-CD2 3.5Å; F247-H256 AromaticContact CZ-CG 3.34Å; E252-H256 VanDerWaalsContact O-CB 3.3Å; E252-H256 WeakPolarHBondContact O-CB 3.49Å; E252-H256 PolarHBondContact O-N 2.83Å; L253-H256 CarbonylContact O-C 3.35Å; L253-H256 WeakPolarHBondContact O-CA 3.34Å; L253-H256 WeakPolarHBondContact O-CB 3.15Å; L253-H256 PolarHBondContact O-N 3.32Å; T254-H256 VanDerWaalsContact C-N 3.3Å; T254-H256 PolarHBondContact O-N 2.78Å; H256-R258 PolarHBondContact O-N 3.39Å; H256-K259 WeakPolarHBondContact O-CB 3.22Å; H256-K259 PolarHBondContact O-N 3.11Å; H256-H260 AromaticContact CD2-NE2 3.59Å; H256-H260 AromaticContact CE1-CD2 3.77Å; H256-H260 AromaticContact CE1-NE2 2.91Å; H256-H260 PolarHBondContact CE1-NE2 2.85Å; H256-H260 AromaticContact NE2-CD2 3.76Å; H256-H260 AromaticContact NE2-NE2 2.49Å; H256-H260 PolarHBondContact NE2-NE2 2.85Å
257	L	87.1	Confident	87.3	Confident	56 Å²	56	61.1 Å²	61.1	29%	0.293	30%	0.297	S	S	.	.	H	α-helix	trans	-58.8	-31.6	175.8	-69.9	170.9	0	0	0	111.9	L253 T254 K259 H260 L261	L253-L257 HydrophobicContact CD1-CD1 4.36Å; L253-L257 HydrophobicContact CD1-CD2 4.49Å; L253-L257 HydrophobicContact CD1-CG 4.12Å; L253-L257 HydrophobicContact CG-CD1 4.23Å; L253-L257 HydrophobicContact CG-CG 4.44Å; L253-L257 WeakPolarHBondContact O-CG 3.35Å; L253-L257 PolarHBondContact O-N 3.36Å; T254-L257 PolarHBondContact O-N 2.87Å; L257-K259 PolarHBondContact O-N 3.23Å; L257-H260 PolarHBondContact O-N 2.78Å; L257-L261 PolarHBondContact O-N 3.16Å
258	R	88.2	Confident	87.3	Confident	70 Å²	70	60 Å²	60	26%	0.264	29%	0.292	S	S	.	.	H	α-helix	trans	-57.4	-26.3	169.6	-65.4	-179.4	-171.4	161.5	3.4	114.1	T254 H256 N262 L263 S276	T254-R258 PolarHBondContact O-N 3.14Å; H256-R258 PolarHBondContact O-N 3.39Å; R258-N262 CarbonylContact O-C 3.58Å; R258-N262 WeakPolarHBondContact O-CA 3.24Å; R258-N262 PolarHBondContact O-N 3.35Å; R258-N262 VanDerWaalsContact O-N 3.14Å; R258-L263 HydrophobicContact CB-CB 4.03Å; R258-L263 HydrophobicContact CG-CB 4.01Å; R258-L263 HydrophobicContact CG-CD1 4.48Å; R258-L263 PolarHBondContact O-N 2.94Å; R258-S276 PolarHBondContact NH1-O 2.88Å
259	K	85.6	Confident	87.2	Confident	160 Å²	160	63.4 Å²	63.4	70%	0.696	31%	0.309	S	S	*	.	H	α-helix	trans	-71.5	-37.8	172.8	-176.3	174.3	179.4	177	0	111.7	H256 L257	H256-K259 WeakPolarHBondContact O-CB 3.22Å; H256-K259 PolarHBondContact O-N 3.11Å; L257-K259 PolarHBondContact O-N 3.23Å
260	H	85.3	Confident	87.2	Confident	30 Å²	30	62.7 Å²	62.7	14%	0.139	31%	0.312	C	S	.	.	H	α-helix	trans	-71.9	-41.9	179.5	-70.1	-57.8	0	0	0	112	C221 Y223 Y225 C243 H256 L257 N262	C221-H260 PolarHBondContact SG-NE2 2.92Å; Y223-H260 HydrophobicContact CD1-CB 3.58Å; Y223-H260 AromaticContact CD1-CD2 3.93Å; Y223-H260 AromaticContact CD1-CG 3.42Å; Y223-H260 VanDerWaalsContact CD1-CG 3.42Å; Y223-H260 AromaticContact CD1-ND1 3.51Å; Y223-H260 HydrophobicContact CD2-CB 3.91Å; Y223-H260 HydrophobicContact CE1-CB 3.61Å; Y223-H260 AromaticContact CE1-CG 3.92Å; Y223-H260 AromaticContact CE1-ND1 3.99Å; Y223-H260 HydrophobicContact CE2-CB 3.92Å; Y223-H260 HydrophobicContact CG-CB 3.74Å; Y223-H260 AromaticContact CG-CD2 3.77Å; Y223-H260 AromaticContact CG-CG 3.65Å; Y225-H260 AromaticContact CD1-CE1 3.42Å; Y225-H260 VanDerWaalsContact CD1-CE1 3.42Å; Y225-H260 WeakPolarHBondContact CD1-CE1 3.44Å; Y225-H260 AromaticContact CE1-CE1 2.64Å; Y225-H260 WeakPolarHBondContact CE1-CE1 3.35Å; Y225-H260 AromaticContact CZ-CE1 3.09Å; Y225-H260 PolarHBondContact OH-CE1 3.21Å; Y225-H260 VanDerWaalsContact OH-CE1 3.28Å; C243-H260 WeakPolarHBondContact CB-CE1 3.25Å; C243-H260 WeakPolarHBondContact CB-NE2 3.4Å; C243-H260 PolarHBondContact SG-CE1 3.5Å; C243-H260 PolarHBondContact SG-NE2 3.09Å; H256-H260 AromaticContact CD2-NE2 3.59Å; H256-H260 AromaticContact CE1-CD2 3.77Å; H256-H260 AromaticContact CE1-NE2 2.91Å; H256-H260 PolarHBondContact CE1-NE2 2.85Å; H256-H260 AromaticContact NE2-CD2 3.76Å; H256-H260 AromaticContact NE2-NE2 2.49Å; H256-H260 PolarHBondContact NE2-NE2 2.85Å; L257-H260 PolarHBondContact O-N 2.78Å; H260-N262 VanDerWaalsContact C-N 3.26Å; H260-N262 PolarHBondContact O-N 3.4Å
261	L	84.5	Confident	87.2	Confident	61 Å²	61	59.8 Å²	59.8	32%	0.319	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	5.9	177.8	-58.4	175.5	0	0	0	113.5	Y223 L257 L263	Y223-L261 HydrophobicContact CE2-CD2 3.87Å; L257-L261 PolarHBondContact O-N 3.16Å; L261-L263 HydrophobicContact CB-CD1 3.78Å; L261-L263 HydrophobicContact CB-CG 3.83Å; L261-L263 HydrophobicContact CD1-CD1 3.82Å; L261-L263 HydrophobicContact CG-CD1 4.47Å; L261-L263 PolarHBondContact O-N 3.45Å
262	N	82.7	Confident	87.2	Confident	79 Å²	79	61.6 Å²	61.6	42%	0.422	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	22.2	-173.5	-68.3	-52.1	0	0	0	115.9	R258 H260 R264	R258-N262 CarbonylContact O-C 3.58Å; R258-N262 WeakPolarHBondContact O-CA 3.24Å; R258-N262 PolarHBondContact O-N 3.35Å; R258-N262 VanDerWaalsContact O-N 3.14Å; H260-N262 VanDerWaalsContact C-N 3.26Å; H260-N262 PolarHBondContact O-N 3.4Å; N262-R264 PolarHBondContact O-N 3.47Å
263	L	83.2	Confident	87	Confident	31 Å²	31	63.9 Å²	63.9	16%	0.162	32%	0.319	C	S	.	.			trans	-69.6	119.8	-174	-74.9	167.9	0	0	0	112.6	R258 L261 P265 S276 L307	R258-L263 HydrophobicContact CB-CB 4.03Å; R258-L263 HydrophobicContact CG-CB 4.01Å; R258-L263 HydrophobicContact CG-CD1 4.48Å; R258-L263 PolarHBondContact O-N 2.94Å; L261-L263 HydrophobicContact CB-CD1 3.78Å; L261-L263 HydrophobicContact CB-CG 3.83Å; L261-L263 HydrophobicContact CD1-CD1 3.82Å; L261-L263 HydrophobicContact CG-CD1 4.47Å; L261-L263 PolarHBondContact O-N 3.45Å; L263-P265 VanDerWaalsContact C-CD 3.43Å; L263-P265 WeakPolarHBondContact O-CD 3.17Å; L263-S276 WeakPolarHBondContact O-CB 3.41Å; L263-L307 HydrophobicContact CD2-CD2 3.62Å; L263-L307 HydrophobicContact CD2-CG 4.48Å; L263-L307 HydrophobicContact CG-CD2 4.3Å
264	R	86.6	Confident	87	Confident	61 Å²	61	63 Å²	63	23%	0.23	32%	0.315	C	S	.	.			trans	-121.7	65	177.6	-68.3	174.7	170.9	-99.8	7.8	111.8	N262 F266 T274 F275 S311	N262-R264 PolarHBondContact O-N 3.47Å; R264-F266 PolarHBondContact O-N 2.88Å; R264-F266 VanDerWaalsContact O-N 3.1Å; R264-T274 PolarHBondContact NH1-O 2.71Å; R264-F275 CarbonylContact C-O 3.59Å; R264-F275 VanDerWaalsContact CA-O 3.31Å; R264-F275 WeakPolarHBondContact CA-O 3.44Å; R264-S311 PolarHBondContact NH1-OG 3.34Å; R264-S311 PolarHBondContact NH2-OG 3.34Å
265	P	85.4	Confident	87	Confident	61 Å²	61	61.5 Å²	61.5	40%	0.396	30%	0.302	S	S	.	.			trans	-71	-5.7	-169	30.2	-37.3	0	0	0	115.2	L263	L263-P265 VanDerWaalsContact C-CD 3.43Å; L263-P265 WeakPolarHBondContact O-CD 3.17Å
266	F	88.1	Confident	86.9	Confident	64 Å²	64	59 Å²	59	28%	0.281	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	95	178.3	-52.1	-75	0	0	0	109.7	R264 T274 F275 S278 C281	R264-F266 PolarHBondContact O-N 2.88Å; R264-F266 VanDerWaalsContact O-N 3.1Å; F266-T274 CarbonylContact O-C 3.53Å; F266-T274 WeakPolarHBondContact O-CA 3.49Å; F266-F275 HydrophobicContact CB-CB 4.38Å; F266-F275 WeakPolarHBondContact CD2-O 3.41Å; F266-F275 PolarHBondContact N-O 2.9Å; F266-F275 VanDerWaalsContact N-O 3.1Å; F266-F275 WeakPolarHBondContact O-CD2 3.28Å; F266-F275 PolarHBondContact O-N 2.87Å; F266-S278 VanDerWaalsContact CD2-N 3.25Å; F266-S278 VanDerWaalsContact CE2-N 3.34Å; F266-C281 HydrophobicContact CB-CB 3.95Å
267	K	88.3	Confident	86.9	Confident	89 Å²	89	61.1 Å²	61.1	39%	0.387	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	156	167.7	-161.4	-163.8	169.8	-168.4	0	109.7	T274 C281	K267-T274 HydrophobicContact CB-CG2 4.18Å; K267-T274 HydrophobicContact CG-CG2 3.99Å; K267-C281 PolarHBondContact O-SG 2.89Å
268	C	89.6	Confident	87	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.311	C	S	.	.			trans	-85.8	138.1	160	-169.4	0	0	0	0	109.3	L270 C271 K273	C268-L270 VanDerWaalsContact C-N 3.27Å; C268-C271 CarbonylContact C-O 3.53Å; C268-C271 WeakPolarHBondContact CB-O 3.38Å; C268-K273 PolarHBondContact N-O 2.76Å
269	D	86.2	Confident	87.1	Confident	80 Å²	80	61 Å²	61	43%	0.428	32%	0.316	S	S	.	.	S	Bend	trans	-78.8	-20.7	179	-35.3	-70.9	0	0	0	111.1	Q285	D269-Q285 PolarHBondContact OD2-NE2 3.19Å
270	L	86	Confident	87.4	Confident	73 Å²	73	57 Å²	57	38%	0.382	30%	0.3	S	S	.	.	S	Bend	trans	-93.7	-11.7	178.6	-59.7	177.4	0	0	0	113.8	C268 H288 M296	C268-L270 VanDerWaalsContact C-N 3.27Å; L270-H288 HydrophobicContact CD1-CB 3.64Å; L270-M296 VanDerWaalsContact O-CB 3.24Å; L270-M296 WeakPolarHBondContact O-CB 3.46Å; L270-M296 WeakPolarHBondContact O-CG 3.48Å
271	C	88.8	Confident	87.7	Confident	21 Å²	21	55.9 Å²	55.9	14%	0.142	30%	0.295	C	S	.	.	S	Bend	trans	-162.6	164.3	171	77.8	0	0	0	0	112.8	C268 K273 H284 H288 M296	C268-C271 CarbonylContact C-O 3.53Å; C268-C271 WeakPolarHBondContact CB-O 3.38Å; C271-K273 PolarHBondContact O-N 2.81Å; C271-H284 PolarHBondContact SG-NE2 3.37Å; C271-H288 PolarHBondContact SG-NE2 2.78Å; C271-H288 VanDerWaalsContact SG-NE2 3.42Å; C271-M296 HydrophobicContact CB-CG 4.34Å; C271-M296 HydrophobicContact CB-SD 3.47Å; C271-M296 WeakPolarHBondContact CB-SD 3.22Å
272	S	87.6	Confident	88	Confident	106 Å²	106	59.2 Å²	59.2	74%	0.741	31%	0.307	S	S	*	.	S	Bend	trans	-69.4	5	-176.4	-58.3	0	0	0	0	116.3
273	K	85.3	Confident	88.3	Confident	79 Å²	79	59.1 Å²	59.1	34%	0.343	31%	0.309	S	S	.	.			trans	-69.8	137.4	177.1	-69.3	-168.6	173.8	-170.5	0	111.2	C268 C271 F275 E313	C268-K273 PolarHBondContact N-O 2.76Å; C271-K273 PolarHBondContact O-N 2.81Å; K273-F275 HydrophobicContact CB-CE2 3.86Å; K273-F275 HydrophobicContact CB-CZ 3.97Å; K273-E313 IonicContact NZ-OE1 2.72Å; K273-E313 PolarHBondContact NZ-OE1 3Å; K273-E313 IonicContact NZ-OE2 2.72Å; K273-E313 PolarHBondContact NZ-OE2 3.05Å
274	T	90	Very high	88.7	Confident	13 Å²	13	58.9 Å²	58.9	8%	0.08	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	143.8	-176.8	56.9	0	0	0	0	112.3	R264 F266 K267	R264-T274 PolarHBondContact NH1-O 2.71Å; F266-T274 CarbonylContact O-C 3.53Å; F266-T274 WeakPolarHBondContact O-CA 3.49Å; K267-T274 HydrophobicContact CB-CG2 4.18Å; K267-T274 HydrophobicContact CG-CG2 3.99Å
275	F	89.5	Confident	88.7	Confident	37 Å²	37	58.4 Å²	58.4	16%	0.162	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	144.8	-169.1	-57.7	-93.4	0	0	0	111.6	R264 F266 K273 R277 H280 C281 H284	R264-F275 CarbonylContact C-O 3.59Å; R264-F275 VanDerWaalsContact CA-O 3.31Å; R264-F275 WeakPolarHBondContact CA-O 3.44Å; F266-F275 HydrophobicContact CB-CB 4.38Å; F266-F275 WeakPolarHBondContact CD2-O 3.41Å; F266-F275 PolarHBondContact N-O 2.9Å; F266-F275 VanDerWaalsContact N-O 3.1Å; F266-F275 WeakPolarHBondContact O-CD2 3.28Å; F266-F275 PolarHBondContact O-N 2.87Å; K273-F275 HydrophobicContact CB-CE2 3.86Å; K273-F275 HydrophobicContact CB-CZ 3.97Å; F275-R277 VanDerWaalsContact C-N 3.27Å; F275-R277 PolarHBondContact O-N 3.23Å; F275-H280 HydrophobicContact CD1-CB 4.12Å; F275-C281 HydrophobicContact CB-CB 4.14Å; F275-C281 HydrophobicContact CD2-CB 3.78Å; F275-C281 HydrophobicContact CG-CB 4.06Å; F275-H284 HydrophobicContact CE1-CB 4.17Å; F275-H284 HydrophobicContact CE2-CB 4.27Å; F275-H284 AromaticContact CE2-CD2 3.32Å; F275-H284 WeakPolarHBondContact CE2-CD2 3.43Å; F275-H284 HydrophobicContact CZ-CB 3.71Å; F275-H284 AromaticContact CZ-CD2 3.24Å; F275-H284 WeakPolarHBondContact CZ-CD2 3.47Å; F275-H284 AromaticContact CZ-CG 3.53Å
276	S	86.2	Confident	88.9	Confident	43 Å²	43	62.9 Å²	62.9	30%	0.301	32%	0.316	S	S	.	.	S	Bend	trans	-78.5	-9.6	176	57.7	0	0	0	0	113.9	R258 L263	R258-S276 PolarHBondContact NH1-O 2.88Å; L263-S276 WeakPolarHBondContact O-CB 3.41Å
277	R	89.8	Confident	88.8	Confident	69 Å²	69	63 Å²	63	26%	0.26	32%	0.322	S	S	.	.	S	Bend	trans	-139.2	142.4	-179.8	-60.5	167.6	53.9	164	0.5	111.8	R255 F275 D279 H280 C281	R255-R277 HydrophobicContact CG-CG 4.11Å; F275-R277 VanDerWaalsContact C-N 3.27Å; F275-R277 PolarHBondContact O-N 3.23Å; R277-D279 WeakPolarHBondContact CB-OD1 3.48Å; R277-D279 IonicContact CZ-OD1 2.85Å; R277-D279 IonicContact CZ-OD2 3.12Å; R277-D279 IonicContact NE-OD1 3.62Å; R277-D279 PolarHBondContact NE-OD1 3.44Å; R277-D279 IonicContact NE-OD2 3.29Å; R277-D279 IonicContact NH2-OD1 3.82Å; R277-D279 PolarHBondContact NH2-OD1 3.31Å; R277-D279 IonicContact NH2-OD2 2.82Å; R277-D279 PolarHBondContact NH2-OD2 3.38Å; R277-H280 HydrophobicContact CB-CB 4.49Å; R277-H280 WeakPolarHBondContact CD-NE2 3.48Å; R277-H280 VanDerWaalsContact CZ-CE1 3.45Å; R277-H280 PolarHBondContact NE-NE2 2.93Å; R277-H280 PolarHBondContact NH1-NE2 3.38Å; R277-C281 PolarHBondContact O-N 3.48Å
278	S	91	Very high	88.5	Confident	57 Å²	57	60.2 Å²	60.2	40%	0.399	31%	0.311	S	S	.	.	H	α-helix	trans	-71.5	-33.2	-178.7	48.3	0	0	0	0	113.4	F266 H280 C281 K282	F266-S278 VanDerWaalsContact CD2-N 3.25Å; F266-S278 VanDerWaalsContact CE2-N 3.34Å; S278-H280 VanDerWaalsContact C-N 3.33Å; S278-C281 PolarHBondContact O-N 2.88Å; S278-K282 WeakPolarHBondContact O-CG 3.24Å; S278-K282 PolarHBondContact O-N 3.18Å
279	D	90.2	Very high	87.8	Confident	68 Å²	68	67 Å²	67	36%	0.364	35%	0.346	S	S	.	.	H	α-helix	trans	-65.8	-38	177.3	64.6	-51.9	0	0	0	111.7	R277 K282 T283	R277-D279 WeakPolarHBondContact CB-OD1 3.48Å; R277-D279 IonicContact CZ-OD1 2.85Å; R277-D279 IonicContact CZ-OD2 3.12Å; R277-D279 IonicContact NE-OD1 3.62Å; R277-D279 PolarHBondContact NE-OD1 3.44Å; R277-D279 IonicContact NE-OD2 3.29Å; R277-D279 IonicContact NH2-OD1 3.82Å; R277-D279 PolarHBondContact NH2-OD1 3.31Å; R277-D279 IonicContact NH2-OD2 2.82Å; R277-D279 PolarHBondContact NH2-OD2 3.38Å; D279-K282 PolarHBondContact O-N 3.19Å; D279-T283 PolarHBondContact O-N 3.05Å; D279-T283 PolarHBondContact O-OG1 3.1Å
280	H	92.1	Very high	86.8	Confident	76 Å²	76	70 Å²	70	35%	0.352	36%	0.363	S	S	.	.	H	α-helix	trans	-68	-40.1	174.4	-62.8	-14.1	0	0	0	112.5	F275 R277 S278 T283 H284	F275-H280 HydrophobicContact CD1-CB 4.12Å; R277-H280 HydrophobicContact CB-CB 4.49Å; R277-H280 WeakPolarHBondContact CD-NE2 3.48Å; R277-H280 VanDerWaalsContact CZ-CE1 3.45Å; R277-H280 PolarHBondContact NE-NE2 2.93Å; R277-H280 PolarHBondContact NH1-NE2 3.38Å; S278-H280 VanDerWaalsContact C-N 3.33Å; H280-T283 WeakPolarHBondContact CA-OG1 3.5Å; H280-T283 PolarHBondContact O-N 3.18Å; H280-T283 PolarHBondContact O-OG1 3.45Å; H280-H284 WeakPolarHBondContact O-CB 3.28Å; H280-H284 PolarHBondContact O-N 2.9Å
281	C	91.1	Very high	85.5	Confident	6 Å²	6	69.5 Å²	69.5	4%	0.041	37%	0.365	C	S	.	.	H	α-helix	trans	-61.3	-46.4	171.8	-171.4	0	0	0	0	111.1	F266 K267 F275 R277 S278 T283 H284 Q285	F266-C281 HydrophobicContact CB-CB 3.95Å; K267-C281 PolarHBondContact O-SG 2.89Å; F275-C281 HydrophobicContact CB-CB 4.14Å; F275-C281 HydrophobicContact CD2-CB 3.78Å; F275-C281 HydrophobicContact CG-CB 4.06Å; R277-C281 PolarHBondContact O-N 3.48Å; S278-C281 PolarHBondContact O-N 2.88Å; C281-T283 VanDerWaalsContact C-N 3.35Å; C281-T283 PolarHBondContact O-N 3Å; C281-H284 CarbonylContact O-C 3.53Å; C281-H284 WeakPolarHBondContact O-CA 3.37Å; C281-H284 WeakPolarHBondContact O-CB 3.35Å; C281-H284 PolarHBondContact O-N 3.47Å; C281-Q285 PolarHBondContact O-N 3.17Å
282	K	90.1	Very high	83.8	Confident	131 Å²	131	76 Å²	76	57%	0.57	40%	0.397	S	S	*	.	H	α-helix	trans	-63.4	-34.2	177.3	-73.5	-176.2	177.2	-170	0	113.7	S278 D279 H284	S278-K282 WeakPolarHBondContact O-CG 3.24Å; S278-K282 PolarHBondContact O-N 3.18Å; D279-K282 PolarHBondContact O-N 3.19Å; K282-H284 VanDerWaalsContact C-N 3.35Å
283	T	90.1	Very high	81.9	Confident	77 Å²	77	75 Å²	75	47%	0.472	38%	0.384	S	S	.	.	H	α-helix	trans	-69.8	-32.7	171.4	46.4	0	0	0	0	112.6	D279 H280 C281 R286	D279-T283 PolarHBondContact O-N 3.05Å; D279-T283 PolarHBondContact O-OG1 3.1Å; H280-T283 WeakPolarHBondContact CA-OG1 3.5Å; H280-T283 PolarHBondContact O-N 3.18Å; H280-T283 PolarHBondContact O-OG1 3.45Å; C281-T283 VanDerWaalsContact C-N 3.35Å; C281-T283 PolarHBondContact O-N 3Å; T283-R286 PolarHBondContact O-N 3.5Å
284	H	90.8	Very high	80	Confident	25 Å²	25	80.2 Å²	80.2	12%	0.116	41%	0.406	C	S	.	.	H	α-helix	trans	-74.4	-37.2	174.6	167.4	49.6	0	0	0	112.9	C271 F275 H280 C281 K282 R286 T287 H288	C271-H284 PolarHBondContact SG-NE2 3.37Å; F275-H284 HydrophobicContact CE1-CB 4.17Å; F275-H284 HydrophobicContact CE2-CB 4.27Å; F275-H284 AromaticContact CE2-CD2 3.32Å; F275-H284 WeakPolarHBondContact CE2-CD2 3.43Å; F275-H284 HydrophobicContact CZ-CB 3.71Å; F275-H284 AromaticContact CZ-CD2 3.24Å; F275-H284 WeakPolarHBondContact CZ-CD2 3.47Å; F275-H284 AromaticContact CZ-CG 3.53Å; H280-H284 WeakPolarHBondContact O-CB 3.28Å; H280-H284 PolarHBondContact O-N 2.9Å; C281-H284 CarbonylContact O-C 3.53Å; C281-H284 WeakPolarHBondContact O-CA 3.37Å; C281-H284 WeakPolarHBondContact O-CB 3.35Å; C281-H284 PolarHBondContact O-N 3.47Å; K282-H284 VanDerWaalsContact C-N 3.35Å; H284-R286 PolarHBondContact O-N 3.07Å; H284-R286 VanDerWaalsContact O-N 3.12Å; H284-T287 PolarHBondContact ND1-OG1 3.42Å; H284-T287 VanDerWaalsContact ND1-OG1 3.16Å; H284-T287 PolarHBondContact O-N 2.99Å; H284-T287 PolarHBondContact O-OG1 3.41Å; H284-H288 AromaticContact CE1-CD2 3.86Å; H284-H288 AromaticContact CE1-CE1 3.87Å; H284-H288 AromaticContact CE1-NE2 3.2Å; H284-H288 PolarHBondContact CE1-NE2 3.44Å; H284-H288 AromaticContact NE2-NE2 3.27Å; H284-H288 PolarHBondContact NE2-NE2 2.99Å
285	Q	87.1	Confident	78	Confident	52 Å²	52	84.2 Å²	84.2	24%	0.243	43%	0.431	C	S	.	.	H	α-helix	trans	-55.6	-31.8	172.5	-76.7	170	-37.7	0	0	112	D269 C281 T287 H288	D269-Q285 PolarHBondContact OD2-NE2 3.19Å; C281-Q285 PolarHBondContact O-N 3.17Å; Q285-T287 VanDerWaalsContact C-N 3.35Å; Q285-T287 PolarHBondContact O-N 3.24Å; Q285-H288 PolarHBondContact O-N 3.38Å
286	R	88.5	Confident	75.9	Confident	154 Å²	154	86.7 Å²	86.7	58%	0.581	44%	0.444	S	S	*	.	H	α-helix	trans	-70.5	-22.5	172.3	-63.8	-178.1	-174.5	117.2	-2.7	114.3	T283 H284 L289 N290	T283-R286 PolarHBondContact O-N 3.5Å; H284-R286 PolarHBondContact O-N 3.07Å; H284-R286 VanDerWaalsContact O-N 3.12Å; R286-L289 PolarHBondContact O-N 3.03Å; R286-N290 PolarHBondContact O-N 3.35Å; R286-N290 PolarHBondContact O-OD1 2.93Å
287	T	86.3	Confident	73.8	Confident	66 Å²	66	90.4 Å²	90.4	41%	0.405	47%	0.465	S	S	.	.	H	α-helix	trans	-68.2	-38.5	174.2	67.7	0	0	0	0	110.6	H284 Q285 L289 N290 S291	H284-T287 PolarHBondContact ND1-OG1 3.42Å; H284-T287 VanDerWaalsContact ND1-OG1 3.16Å; H284-T287 PolarHBondContact O-N 2.99Å; H284-T287 PolarHBondContact O-OG1 3.41Å; Q285-T287 VanDerWaalsContact C-N 3.35Å; Q285-T287 PolarHBondContact O-N 3.24Å; T287-L289 PolarHBondContact O-N 2.89Å; T287-N290 PolarHBondContact O-N 2.93Å; T287-S291 PolarHBondContact O-N 3.39Å; T287-S291 PolarHBondContact O-OG 2.87Å
288	H	81.4	Confident	71.6	Confident	32 Å²	32	92.7 Å²	92.7	15%	0.148	49%	0.489	C	S	.	.	H	α-helix	trans	-61.6	-25.1	175.4	-65.9	-68.6	0	0	0	114.4	L270 C271 H284 Q285	L270-H288 HydrophobicContact CD1-CB 3.64Å; C271-H288 PolarHBondContact SG-NE2 2.78Å; C271-H288 VanDerWaalsContact SG-NE2 3.42Å; H284-H288 AromaticContact CE1-CD2 3.86Å; H284-H288 AromaticContact CE1-CE1 3.87Å; H284-H288 AromaticContact CE1-NE2 3.2Å; H284-H288 PolarHBondContact CE1-NE2 3.44Å; H284-H288 AromaticContact NE2-NE2 3.27Å; H284-H288 PolarHBondContact NE2-NE2 2.99Å; Q285-H288 PolarHBondContact O-N 3.38Å
289	L	75.3	Confident	69.1	Low	141 Å²	141	97.7 Å²	97.7	74%	0.738	50%	0.5	S	S	*	.	H	α-helix	trans	-79.7	-28.5	173.2	-62.1	175.3	0	0	0	112.6	R286 T287	R286-L289 PolarHBondContact O-N 3.03Å; T287-L289 PolarHBondContact O-N 2.89Å
290	N	66.8	Low	66.5	Low	145 Å²	145	98.9 Å²	98.9	78%	0.775	51%	0.514	S	S	*	.	H	α-helix	trans	-97	-24.1	-174.5	-67.3	13	0	0	0	113.1	R286 T287	R286-N290 PolarHBondContact O-N 3.35Å; R286-N290 PolarHBondContact O-OD1 2.93Å; T287-N290 PolarHBondContact O-N 2.93Å
291	S	58.4	Low	63.7	Low	61 Å²	61	101.1 Å²	101.1	43%	0.427	53%	0.528	S	S	.	.	S	Bend	trans	-119	115.9	173.5	60.7	0	0	0	0	109.5	T287 D293	T287-S291 PolarHBondContact O-N 3.39Å; T287-S291 PolarHBondContact O-OG 2.87Å; S291-D293 PolarHBondContact O-N 3.35Å
292	L	53.2	Low	61.1	Low	157 Å²	157	106.7 Å²	106.7	82%	0.822	56%	0.558	S	S	*	*			trans	-67.4	71.3	175.1	-79.8	164	0	0	0	111.6	K294	L292-K294 VanDerWaalsContact C-N 3.3Å; L292-K294 PolarHBondContact O-N 2.99Å
293	D	47.4	Very low	58.6	Low	86 Å²	86	109.6 Å²	109.6	46%	0.46	57%	0.573	S	S	.	*			trans	-74.2	86.9	167.9	-166.7	-18	0	0	0	108.8	S291 T295	S291-D293 PolarHBondContact O-N 3.35Å; D293-T295 PolarHBondContact O-N 3.29Å; D293-T295 WeakPolarHBondContact OD1-CB 3.36Å; D293-T295 WeakPolarHBondContact OD1-CG2 3.11Å; D293-T295 PolarHBondContact OD1-N 3.28Å; D293-T295 PolarHBondContact OD1-OG1 2.62Å
294	K	45.7	Very low	56.1	Low	188 Å²	188	109.9 Å²	109.9	82%	0.817	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	12.7	-173.9	-68.7	-179.4	176	-179.6	0	114.4	L292	L292-K294 VanDerWaalsContact C-N 3.3Å; L292-K294 PolarHBondContact O-N 2.99Å
295	T	46.6	Very low	53.9	Low	97 Å²	97	115.7 Å²	115.7	60%	0.595	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.8	-12.7	-173.1	65.8	0	0	0	0	114.4	D293	D293-T295 PolarHBondContact O-N 3.29Å; D293-T295 WeakPolarHBondContact OD1-CB 3.36Å; D293-T295 WeakPolarHBondContact OD1-CG2 3.11Å; D293-T295 PolarHBondContact OD1-N 3.28Å; D293-T295 PolarHBondContact OD1-OG1 2.62Å
296	M	46	Very low	51.8	Low	89 Å²	89	116.3 Å²	116.3	44%	0.438	62%	0.616	S	S	.	*			trans	-99.8	100.8	-166.5	-64.3	-72.5	92.2	0	0	113.6	L270 C271	L270-M296 VanDerWaalsContact O-CB 3.24Å; L270-M296 WeakPolarHBondContact O-CB 3.46Å; L270-M296 WeakPolarHBondContact O-CG 3.48Å; C271-M296 HydrophobicContact CB-CG 4.34Å; C271-M296 HydrophobicContact CB-SD 3.47Å; C271-M296 WeakPolarHBondContact CB-SD 3.22Å
297	T	42.8	Very low	49.5	Very low	122 Å²	122	115 Å²	115	75%	0.748	62%	0.62	S	S	*	*			trans	-76.6	146.4	159.3	49.8	0	0	0	0	110.4	Y299	T297-Y299 PolarHBondContact O-N 2.83Å; T297-Y299 VanDerWaalsContact O-N 3.15Å
298	P	42	Very low	47.4	Very low	117 Å²	117	114.7 Å²	114.7	76%	0.76	62%	0.616	S	S	*	*			trans	-72.1	109.6	-179.8	28.6	-33.7	0	0	0	110.9
299	Y	38.5	Very low	45.1	Very low	162 Å²	162	117.9 Å²	117.9	64%	0.635	63%	0.63	S	S	*	*			trans	-85.3	129.5	172.9	-169.2	-82.8	0	0	0	110.6	T297	T297-Y299 PolarHBondContact O-N 2.83Å; T297-Y299 VanDerWaalsContact O-N 3.15Å
300	S	36.2	Very low	43.1	Very low	93 Å²	93	116.8 Å²	116.8	65%	0.65	63%	0.63	S	S	*	*			trans	-62.3	160.3	-169.8	-161.7	0	0	0	0	115.2	N302	S300-N302 PolarHBondContact O-N 2.9Å
301	N	34.3	Very low	41.6	Very low	122 Å²	122	112.1 Å²	112.1	65%	0.652	61%	0.608	S	S	*	*			trans	-76.4	87.7	-170.1	-67.5	-40.5	0	0	0	113.2	H303	N301-H303 PolarHBondContact O-N 3.19Å
302	N	35.8	Very low	40.3	Very low	124 Å²	124	115.1 Å²	115.1	66%	0.663	62%	0.62	S	S	*	*			trans	-83	104.1	164.5	-76.7	-6.9	0	0	0	110.7	S300 S304	S300-N302 PolarHBondContact O-N 2.9Å; N302-S304 PolarHBondContact O-N 3.44Å
303	H	36.9	Very low	39.2	Very low	192 Å²	192	114.3 Å²	114.3	89%	0.889	61%	0.612	S	S	*	*			trans	-65	100.1	173.1	-120.2	-103.5	0	0	0	109.8	N301	N301-H303 PolarHBondContact O-N 3.19Å
304	S	38.7	Very low	38.3	Very low	83 Å²	83	119.5 Å²	119.5	58%	0.58	63%	0.63	S	S	*	*			trans	-153.2	124.8	178.9	-66.9	0	0	0	0	111.2	N302 T306	N302-S304 PolarHBondContact O-N 3.44Å; S304-T306 PolarHBondContact O-N 2.96Å
305	I	44.9	Very low	37.5	Very low	146 Å²	146	117.1 Å²	117.1	75%	0.749	63%	0.627	S	S	*	*			trans	-79.7	75.6	179	-51.3	176.9	0	0	0	108.8
306	T	42	Very low	36.5	Very low	66 Å²	66	119.2 Å²	119.2	41%	0.405	63%	0.634	S	S	.	*			trans	-77.9	125	-172.1	47	0	0	0	0	112.6	S304 N308	S304-T306 PolarHBondContact O-N 2.96Å; T306-N308 WeakPolarHBondContact CB-OD1 3.44Å; T306-N308 PolarHBondContact O-N 2.81Å; T306-N308 PolarHBondContact OG1-ND2 2.95Å
307	L	41.2	Very low	35.6	Very low	125 Å²	125	124.3 Å²	124.3	65%	0.654	66%	0.657	S	S	*	*			trans	-76.1	64.9	176.5	-76.9	161.2	0	0	0	111.1	L263 H309	L263-L307 HydrophobicContact CD2-CD2 3.62Å; L263-L307 HydrophobicContact CD2-CG 4.48Å; L263-L307 HydrophobicContact CG-CD2 4.3Å; L307-H309 PolarHBondContact O-N 3.14Å
308	N	41.7	Very low	34.9	Very low	61 Å²	61	126.5 Å²	126.5	33%	0.326	65%	0.652	S	S	.	*			trans	-82.4	115.1	-170	-68	-20.6	0	0	0	113.5	T306	T306-N308 WeakPolarHBondContact CB-OD1 3.44Å; T306-N308 PolarHBondContact O-N 2.81Å; T306-N308 PolarHBondContact OG1-ND2 2.95Å
309	H	33.5	Very low	34.2	Very low	98 Å²	98	126.9 Å²	126.9	45%	0.454	65%	0.647	S	S	.	*			trans	-60.5	156.5	164.6	-94.6	-131.7	0	0	0	112.3	L307	L307-H309 PolarHBondContact O-N 3.14Å
310	T	31.7	Very low	33.6	Very low	119 Å²	119	127.1 Å²	127.1	73%	0.73	65%	0.653	S	S	*	*			trans	46.9	96.7	161.5	52.5	0	0	0	0	117.9
311	S	36.5	Very low	33.2	Very low	46 Å²	46	127.1 Å²	127.1	32%	0.322	65%	0.654	S	S	.	*			trans	-123.9	77.5	144.2	88.3	0	0	0	0	108.8	R264	R264-S311 PolarHBondContact NH1-OG 3.34Å; R264-S311 PolarHBondContact NH2-OG 3.34Å
312	N	31.7	Very low	33.1	Very low	124 Å²	124	125.6 Å²	125.6	66%	0.663	65%	0.649	S	S	*	*			trans	-89.6	102.6	177.2	-84	5.4	0	0	0	109.9
313	E	29.3	Very low	32.8	Very low	141 Å²	141	125.1 Å²	125.1	66%	0.659	65%	0.651	S	S	*	*			trans	-111.6	108.5	156.5	-74.6	171	141.7	0	0	106.7	K273	K273-E313 IonicContact NZ-OE1 2.72Å; K273-E313 PolarHBondContact NZ-OE1 3Å; K273-E313 IonicContact NZ-OE2 2.72Å; K273-E313 PolarHBondContact NZ-OE2 3.05Å
314	K	29.4	Very low	32.4	Very low	195 Å²	195	123.5 Å²	123.5	85%	0.848	64%	0.643	S	S	*	*	S	Bend	trans	66.3	78.9	174.5	-52.6	178.9	-176.2	-179.1	0	116.4
315	N	27.1	Very low	31.7	Very low	138 Å²	138	129 Å²	129	74%	0.738	66%	0.657	S	S	*	*	S	Bend		172.6	141.7	112	-82.2	-5.4	0	0	0	112.3
316	N	26.9	Very low	30.8	Very low	141 Å²	141	127.1 Å²	127.1	75%	0.754	65%	0.653	S	S	*	*			trans	50.2	89.8	170.3	-65.1	34.6	0	0	0	117.8	Y318	N316-Y318 PolarHBondContact O-N 2.91Å
317	E	26.1	Very low	30	Very low	195 Å²	195	129 Å²	129	91%	0.911	67%	0.674	S	S	*	*				10.7	92.9	112.3	-170.3	171.2	-143.9	0	0	116.5
318	Y	28.5	Very low	29.3	Very low	168 Å²	168	127.7 Å²	127.7	66%	0.659	68%	0.676	S	S	*	*			trans	-151.3	136.9	137.7	-163.1	-83	0	0	0	111.1	I229 N316	I229-Y318 HydrophobicContact CG2-CD1 3.58Å; I229-Y318 HydrophobicContact CG2-CD2 4.46Å; I229-Y318 HydrophobicContact CG2-CE1 3.2Å; I229-Y318 HydrophobicContact CG2-CE2 4.13Å; I229-Y318 HydrophobicContact CG2-CG 4.21Å; I229-Y318 VanDerWaalsContact CG2-CZ 3.5Å; N316-Y318 PolarHBondContact O-N 2.91Å
319	I	27.7	Very low	28.6	Very low	126 Å²	126	129.5 Å²	129.5	65%	0.646	70%	0.699	S	S	*	*			trans	-52	146.9	-171.3	-63	165.5	0	0	0	115.3
320	H	26.6	Very low	28.2	Very low	166 Å²	166	133.5 Å²	133.5	77%	0.769	72%	0.718	S	S	*	*			trans	-14.4	138.5	171.4	-62	-91.4	0	0	0	121.2
321	S	26.4	Very low	28.1	Very low	94 Å²	94	134.5 Å²	134.5	66%	0.657	72%	0.724	S	S	*	*			trans	-157.3	95.5	142	-79.8	0	0	0	0	109.1
322	T	32	Very low	27.5	Very low	89 Å²	89	135.9 Å²	135.9	55%	0.546	75%	0.745	S	S	.	*			trans	-110.8	91.2	173.5	-56.8	0	0	0	0	109.2	H324	T322-H324 PolarHBondContact O-N 3.15Å
323	T	31.2	Very low	27.3	Very low	115 Å²	115	136.1 Å²	136.1	71%	0.706	75%	0.751	S	S	*	*			trans	-79.6	100.3	172.7	48.8	0	0	0	0	109.8	F325	T323-F325 PolarHBondContact O-N 2.88Å
324	H	27.1	Very low	27.1	Very low	157 Å²	157	137.1 Å²	137.1	73%	0.727	76%	0.761	S	S	*	*			trans	-66.1	109.9	167.2	-84	-104.2	0	0	0	109.6	T322 T326	T322-H324 PolarHBondContact O-N 3.15Å; H324-T326 VanDerWaalsContact C-N 3.34Å; H324-T326 PolarHBondContact O-N 2.93Å
325	F	24.2	Very low	27.2	Very low	198 Å²	198	133.5 Å²	133.5	87%	0.868	76%	0.757	S	S	*	*			trans	-81.9	86	158.5	-89.4	-85.6	0	0	0	108.6	T323 A327	T323-F325 PolarHBondContact O-N 2.88Å; F325-A327 PolarHBondContact O-N 2.98Å
326	T	26.7	Very low	27.1	Very low	108 Å²	108	131.6 Å²	131.6	66%	0.663	76%	0.755	S	S	*	*			trans	-74.1	105.2	163.5	45.4	0	0	0	0	108.7	H324 S328	H324-T326 VanDerWaalsContact C-N 3.34Å; H324-T326 PolarHBondContact O-N 2.93Å; T326-S328 PolarHBondContact O-N 2.76Å
327	A	24.9	Very low	27.4	Very low	104 Å²	104	133 Å²	133	86%	0.86	76%	0.76	S	S	*	*			trans	-72	104.3	161	0	0	0	0	0	107.6	F325 A329	F325-A327 PolarHBondContact O-N 2.98Å; A327-A329 PolarHBondContact O-N 2.81Å
328	S	26.5	Very low	27.6	Very low	99 Å²	99	130.2 Å²	130.2	69%	0.692	75%	0.752	S	S	*	*			trans	-66.5	126.9	-178.4	-59.4	0	0	0	0	111.3	T326	T326-S328 PolarHBondContact O-N 2.76Å
329	A	25.7	Very low	27.8	Very low	99 Å²	99	126.9 Å²	126.9	82%	0.818	75%	0.751	S	S	*	*			trans	-101.4	109.8	150.9	0	0	0	0	0	106.5	A327	A327-A329 PolarHBondContact O-N 2.81Å
330	E	25.9	Very low	27.6	Very low	181 Å²	181	128.3 Å²	128.3	85%	0.846	76%	0.759	S	S	*	*			trans	-78.5	125.2	-179.7	-65.4	-173.6	165.5	0	0	110.8
331	V	29.6	Very low	27.9	Very low	141 Å²	141	126 Å²	126	86%	0.855	76%	0.759	S	S	*	*			trans	-122.8	99	156.6	178.8	0	0	0	0	105.9
332	G	23.4	Very low	27.8	Very low	74 Å²	74	129.5 Å²	129.5	76%	0.763	77%	0.767	S	S	*	*			trans	-79.5	128.8	-172.7	0	0	0	0	0	113
333	V	28.4	Very low	27.8	Very low	130 Å²	130	131.5 Å²	131.5	79%	0.788	78%	0.784	S	S	*	*			trans	-135.9	103.5	155.7	-177.2	0	0	0	0	108.4
334	N	25.4	Very low	27.5	Very low	161 Å²	161	131.2 Å²	131.2	86%	0.861	79%	0.787	S	S	*	*			trans	-82.9	147	157.9	-88.5	-45.3	0	0	0	108.5
335	P	30.1	Very low	27.6	Very low	120 Å²	120	129.7 Å²	129.7	78%	0.779	79%	0.794	S	S	*	*				-128.5	142.4	120	35.4	-29.7	0	0	0	112.8
336	S	26.8	Very low	27.8	Very low	98 Å²	98	126.2 Å²	126.2	69%	0.685	79%	0.794	S	S	*	*			trans	-77.6	136.6	179.7	177.2	0	0	0	0	112.5
337	I	32.7	Very low	27.9	Very low	169 Å²	169	127 Å²	127	87%	0.867	80%	0.804	S	S	*	*			trans	-132.4	138.9	146.5	-60.2	-175.5	0	0	0	107.3
338	N	29.1	Very low	27.9	Very low	138 Å²	138	126.5 Å²	126.5	74%	0.738	79%	0.794	S	S	*	*			trans	-105.6	179.1	-167	-120.9	-14.9	0	0	0	111.8
339	P	33.4	Very low	28.1	Very low	97 Å²	97	132.8 Å²	132.8	63%	0.63	80%	0.804	S	S	*	*				-128.7	178.5	-124.7	43.1	-27.9	0	0	0	117.1
340	L	24.4	Very low	28.1	Very low	157 Å²	157	135.6 Å²	135.6	82%	0.822	81%	0.805	S	S	*	*			trans	71.3	167	160.6	-77.1	172.4	0	0	0	115.8
341	P	32.5	Very low	28.4	Very low	118 Å²	118	132.7 Å²	132.7	77%	0.766	80%	0.801	S	S	*	*			cis	-138.5	172.4	22.6	44.2	-25.8	0	0	0	120.3
342	M	24.8	Very low	28.2	Very low	167 Å²	167	135.3 Å²	135.3	82%	0.823	80%	0.802	S	S	*	*			trans	-7.7	139.7	155.4	-54.7	169.6	68.7	0	0	120.2
343	S	30.2	Very low	28.7	Very low	130 Å²	130	138 Å²	138	91%	0.909	81%	0.806	S	S	*	*				-148.8	155.6	126.8	66.2	0	0	0	0	110.5
344	S	25.1	Very low	28.8	Very low	109 Å²	109	140.1 Å²	140.1	76%	0.762	81%	0.809	S	S	*	*			trans	-135	143.6	-174.5	55.6	0	0	0	0	111.9
345	S	30.6	Very low	28.7	Very low	125 Å²	125	139.3 Å²	139.3	87%	0.874	81%	0.805	S	S	*	*			trans	-164.7	147.8	155.4	45.8	0	0	0	0	111.3
346	S	26.8	Very low	28.6	Very low	126 Å²	126	139.9 Å²	139.9	88%	0.881	81%	0.806	S	S	*	*			trans	-112.4	149.1	-178.8	-47.5	0	0	0	0	109.9
347	S	29	Very low	28.6	Very low	124 Å²	124	142.3 Å²	142.3	87%	0.867	81%	0.807	S	S	*	*				-171.4	164.5	123.1	-155.8	0	0	0	0	111.8
348	S	26.6	Very low	28.2	Very low	93 Å²	93	144 Å²	144	65%	0.65	80%	0.804	S	S	*	*			trans	-109.5	146.6	-171.5	55.8	0	0	0	0	113.5
349	Y	28.7	Very low	28.1	Very low	232 Å²	232	141.6 Å²	141.6	91%	0.91	80%	0.798	S	S	*	*			trans	-144.2	144.3	147.4	-100.6	-80.1	0	0	0	111.3
350	L	26.1	Very low	27.8	Very low	158 Å²	158	144.8 Å²	144.8	83%	0.827	81%	0.809	S	S	*	*			trans	-137.8	178.1	174.3	-64.5	175.1	0	0	0	106.6
351	P	33.8	Very low	27.9	Very low	119 Å²	119	141.6 Å²	141.6	77%	0.773	80%	0.8	S	S	*	*			cis	-131.6	-167.8	-2.7	36.2	-15	0	0	0	114.3
352	F	24.8	Very low	27.8	Very low	197 Å²	197	141.2 Å²	141.2	86%	0.864	80%	0.8	S	S	*	*			trans	-71.5	162.9	168.1	-68.7	-92.5	0	0	0	113.8
353	P	33.8	Very low	28.2	Very low	131 Å²	131	138.3 Å²	138.3	85%	0.851	80%	0.796	S	S	*	*				-135.5	-170.5	124.2	38	-26.4	0	0	0	114.9
354	M	29.3	Very low	28.2	Very low	174 Å²	174	136.9 Å²	136.9	86%	0.857	79%	0.786	S	S	*	*			trans	-109.2	153	-158.5	-81	-83.8	-171.8	0	0	117.4
355	N	25.2	Very low	28.5	Very low	143 Å²	143	138.6 Å²	138.6	77%	0.765	79%	0.786	S	S	*	*			trans	-1.4	134.1	155.6	-70.4	-27.2	0	0	0	122.5
356	T	27.6	Very low	28.5	Very low	132 Å²	132	143.2 Å²	143.2	81%	0.81	78%	0.784	S	S	*	*				-168	113.8	122.8	21	0	0	0	0	109.1
357	Q	26	Very low	28.7	Very low	149 Å²	149	141.2 Å²	141.2	70%	0.696	77%	0.77	S	S	*	*				78.1	136.3	86	-75.5	-144.1	-24.1	0	0	117.2
358	Y	25.3	Very low	28.7	Very low	204 Å²	204	142 Å²	142	80%	0.8	76%	0.764	S	S	*	*			trans	70.9	144.9	174.5	-60.6	-70.5	0	0	0	116.9
359	S	26.4	Very low	28.9	Very low	88 Å²	88	141.8 Å²	141.8	62%	0.615	76%	0.763	S	S	*	*			cis	-170.5	145.3	-7.1	45.5	0	0	0	0	113.7
360	L	26.7	Very low	28.9	Very low	165 Å²	165	138.1 Å²	138.1	86%	0.864	76%	0.758	S	S	*	*			trans	63.4	154.7	143	-65.1	169	0	0	0	119
361	S	26.2	Very low	28.7	Very low	90 Å²	90	135.9 Å²	135.9	63%	0.629	76%	0.756	S	S	*	*			cis	-169.5	172.5	-14.6	51.9	0	0	0	0	112.1
362	S	31.2	Very low	28.4	Very low	109 Å²	109	138.2 Å²	138.2	76%	0.762	76%	0.761	S	S	*	*			trans	72.5	159.8	155.5	84.5	0	0	0	0	117
363	S	32.7	Very low	28.6	Very low	106 Å²	106	133.1 Å²	133.1	74%	0.741	76%	0.755	S	S	*	*			cis	-142.5	167.2	-0.4	-36.5	0	0	0	0	108.9
364	S	31	Very low	28.1	Very low	100 Å²	100	132 Å²	132	70%	0.699	75%	0.75	S	S	*	*			cis	-160.7	-175.7	-2.9	-154.1	0	0	0	0	109.8
365	L	30.9	Very low	27.9	Very low	146 Å²	146	128.8 Å²	128.8	76%	0.764	75%	0.745	S	S	*	*			trans	73	146.4	168.5	-44.8	-173.4	0	0	0	115.4
366	R	30.2	Very low	28.1	Very low	222 Å²	222	128.1 Å²	128.1	84%	0.838	75%	0.751	S	S	*	*			cis	-148.1	-167.7	-10	-132.8	-174.6	176.5	173.7	-0.1	113.5
367	S	30.6	Very low	28.1	Very low	83 Å²	83	127 Å²	127	58%	0.58	74%	0.744	S	S	*	*			trans	-55.6	160	177.6	43.2	0	0	0	0	116.5
368	D	28.8	Very low	28.2	Very low	141 Å²	141	128.6 Å²	128.6	75%	0.754	75%	0.751	S	S	*	*			cis	-146.4	164.4	21.7	-132	-48.4	0	0	0	116.4
369	S	31	Very low	28.4	Very low	89 Å²	89	126.5 Å²	126.5	62%	0.622	75%	0.747	S	S	*	*			trans	-5	154.3	159.1	41.7	0	0	0	0	121.4
370	L	28.4	Very low	28.7	Very low	155 Å²	155	127.8 Å²	127.8	81%	0.812	75%	0.753	S	S	*	*			cis	-162.6	163.6	0	-116.5	165.1	0	0	0	109.6	L372	L370-L372 HydrophobicContact CD2-CD1 4.48Å
371	S	23.4	Very low	29.8	Very low	111 Å²	111	131.4 Å²	131.4	78%	0.776	77%	0.771	S	S	*	*			trans	-139.1	138.6	164.5	61.1	0	0	0	0	112
372	L	27.6	Very low	29.9	Very low	168 Å²	168	133.5 Å²	133.5	88%	0.88	78%	0.778	S	S	*	*			trans	-120.3	153.7	169	-103.9	77.7	0	0	0	109.7	L370	L370-L372 HydrophobicContact CD2-CD1 4.48Å
373	A	27.2	Very low	29.9	Very low	90 Å²	90	134.8 Å²	134.8	74%	0.744	78%	0.779	S	S	*	*			trans	-109.2	149	-169.4	0	0	0	0	0	113.9
374	S	24.5	Very low	29.7	Very low	106 Å²	106	136.4 Å²	136.4	74%	0.741	78%	0.781	S	S	*	*			trans	46.5	111.7	138.1	-55.4	0	0	0	0	121.3
375	S	24.8	Very low	29.6	Very low	108 Å²	108	138.5 Å²	138.5	76%	0.755	79%	0.786	S	S	*	*				80.8	129.6	126.8	-54.3	0	0	0	0	121.7
376	S	28.5	Very low	29.6	Very low	128 Å²	128	138.1 Å²	138.1	90%	0.895	79%	0.787	S	S	*	*			trans	-147.3	152.9	146.7	-79.9	0	0	0	0	108.7
377	V	28.6	Very low	29.5	Very low	109 Å²	109	132.5 Å²	132.5	66%	0.661	78%	0.783	S	S	*	*			trans	-138	141	-161.3	174.4	0	0	0	0	111.1
378	H	27.8	Very low	29.5	Very low	182 Å²	182	136 Å²	136	84%	0.843	80%	0.798	S	S	*	*			trans	-162.3	148.7	156.3	-108	-88.1	0	0	0	110.1
379	F	29	Very low	29.5	Very low	160 Å²	160	135.6 Å²	135.6	70%	0.702	80%	0.801	S	S	*	*			cis	-166.3	142.1	-44.8	-121.5	-78.6	0	0	0	104.8
380	P	34.1	Very low	29.4	Very low	115 Å²	115	139.5 Å²	139.5	75%	0.747	82%	0.816	S	S	*	*			trans	-79	165.4	178.2	32	-37.3	0	0	0	113.7
381	I	48.7	Very low	29.5	Very low	242 Å²	242	138.1 Å²	138.1	100%	1.241	82%	0.817	S	S	*	*			trans	-122.1	0	158.9	-60.9	177.8	0	0	0	106.4

Retrieved 381 of 381 residues in 428.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).