A0A087YIV3_POEFO Loading...

Oligoribonuclease, mitochondrial

3'-to-5'exoribonuclease that preferentially degrades DNA and RNA oligonucleotides composed of only two nucleotides. Binds and degrades longer oligonucleotides with a lower affinity. Plays dual roles in mitochondria, scavenging nanoRNAs (small RNA oligonucleotides of <5 nucleotides) that are produced by the degradosome and clearing short RNAs that are generated by RNA processing. Essential for correct initiation of mitochondrial transcription, degrading mitochondrial RNA dinucleotides to prevent RNA-primed transcription at non-canonical sites in the mitochondrial genome. Essential for embryonic development.

AlphaFold DB , UniProt , Accession A0A087YIV3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 280 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	40.8	Very low	34.8	Very low	248 Å²	248	159.4 Å²	159.4	100%	1.222	84%	0.84	S	S	*	*				0	112.3	0	-82.7	170.1	161.1	0	0	107.8
2	T	35.1	Very low	34.6	Very low	126 Å²	126	159.5 Å²	159.5	77%	0.773	84%	0.84	S	S	*	*			trans	-83.6	145.4	-173.4	30.4	0	0	0	0	111.5
3	T	36.3	Very low	34.6	Very low	143 Å²	143	154.9 Å²	154.9	88%	0.877	84%	0.839	S	S	*	*			trans	-165.3	84.8	155.1	15.3	0	0	0	0	107.2
4	L	35.1	Very low	34.4	Very low	133 Å²	133	160 Å²	160	70%	0.696	84%	0.84	S	S	*	*				53.1	97.4	93.5	-105.2	103.9	0	0	0	115.5	R6	L4-R6 HydrophobicContact CD2-CG 4.45Å
5	S	36.9	Very low	34	Very low	107 Å²	107	163.5 Å²	163.5	75%	0.748	85%	0.846	S	S	*	*			trans	-63.8	136.4	154.9	177.9	0	0	0	0	110.8
6	R	37.8	Very low	33.9	Very low	211 Å²	211	163.7 Å²	163.7	80%	0.796	84%	0.839	S	S	*	*			trans	-143.3	107.9	163.5	-79	-168.2	171	179.1	-3.3	111.5	L4	L4-R6 HydrophobicContact CD2-CG 4.45Å
7	N	33.2	Very low	33.7	Very low	153 Å²	153	163.3 Å²	163.3	82%	0.818	84%	0.838	S	S	*	*			trans	-56.6	141.2	153.2	-72.2	-45.3	0	0	0	110.4
8	I	36	Very low	33.3	Very low	160 Å²	160	158.9 Å²	158.9	82%	0.821	84%	0.839	S	S	*	*			trans	-127.3	126	162.8	-65.9	179.1	0	0	0	108.8
9	A	32.8	Very low	33.1	Very low	84 Å²	84	157.1 Å²	157.1	69%	0.694	84%	0.839	S	S	*	*			trans	-78.4	152.8	-175.1	0	0	0	0	0	112.8
10	W	27.8	Very low	33	Very low	250 Å²	250	153.3 Å²	153.3	95%	0.947	84%	0.839	S	S	*	*			trans	-74.4	123.7	169.7	-75.8	81.7	0	0	0	111
11	T	31.1	Very low	32.9	Very low	138 Å²	138	155.1 Å²	155.1	85%	0.847	84%	0.839	S	S	*	*			trans	-97.3	113.8	172.5	-48.7	0	0	0	0	109.7
12	L	32.5	Very low	32.5	Very low	161 Å²	161	153.6 Å²	153.6	84%	0.843	83%	0.825	S	S	*	*			trans	-72.8	125.2	165.3	-97.7	90.3	0	0	0	110.1
13	A	34.3	Very low	32.2	Very low	100 Å²	100	152.3 Å²	152.3	83%	0.826	82%	0.821	S	S	*	*			trans	-99.9	111.3	163.1	0	0	0	0	0	110.1
14	R	31.8	Very low	31.8	Very low	226 Å²	226	154.1 Å²	154.1	85%	0.853	82%	0.817	S	S	*	*			trans	-77.3	128.5	164.2	-98.1	176.3	169.2	-176.2	-0.7	108.9
15	F	29.2	Very low	31.6	Very low	212 Å²	212	154.8 Å²	154.8	93%	0.93	82%	0.821	S	S	*	*			trans	-115	125.6	157.7	-114	-94.4	0	0	0	108.6
16	K	31.9	Very low	31.6	Very low	167 Å²	167	155 Å²	155	73%	0.726	82%	0.819	S	S	*	*			trans	-120.8	128.8	174.7	-110.3	-172.2	177.2	-174.3	0	109.7
17	L	29.9	Very low	31.2	Very low	157 Å²	157	149.8 Å²	149.8	82%	0.822	82%	0.816	S	S	*	*			trans	70.2	113.3	142.5	-64.8	161	0	0	0	119.8
18	G	27.6	Very low	30.9	Very low	84 Å²	84	151.6 Å²	151.6	87%	0.866	82%	0.817	S	S	*	*			trans	-137.1	112.6	148.2	0	0	0	0	0	109.1
19	C	28.5	Very low	30.6	Very low	125 Å²	125	152.8 Å²	152.8	85%	0.845	82%	0.816	S	S	*	*			trans	-87.2	135.6	-179.1	-168.8	0	0	0	0	109.9
20	G	30.4	Very low	30.4	Very low	80 Å²	80	153.5 Å²	153.5	83%	0.825	82%	0.816	S	S	*	*			trans	-153.3	89.3	173.7	0	0	0	0	0	111.4
21	K	31.1	Very low	30.5	Very low	193 Å²	193	151.7 Å²	151.7	84%	0.839	81%	0.809	S	S	*	*			trans	-81.4	129.5	167.6	-73.6	179.5	176.2	180	0	109.5
22	K	32.4	Very low	30.5	Very low	216 Å²	216	153.7 Å²	153.7	94%	0.939	81%	0.809	S	S	*	*			trans	-146.7	130.4	140	-72.2	-164.2	-179.5	178.1	0	109.6
23	S	30.1	Very low	30.2	Very low	98 Å²	98	152 Å²	152	69%	0.685	81%	0.809	S	S	*	*			trans	-122.1	173.1	172	48.6	0	0	0	0	108.9
24	F	28.1	Very low	29.9	Very low	182 Å²	182	153.2 Å²	153.2	80%	0.798	81%	0.81	S	S	*	*			trans	90.3	129.9	178	-72.9	-113.6	0	0	0	114.6
25	L	29.5	Very low	29.8	Very low	146 Å²	146	147.2 Å²	147.2	76%	0.764	80%	0.802	S	S	*	*			cis	-165.3	167.9	0.2	-106	168.2	0	0	0	107.5
26	P	36.4	Very low	29.9	Very low	111 Å²	111	146.5 Å²	146.5	72%	0.721	80%	0.801	S	S	*	*			trans	-99.5	151.1	-177.7	38.1	-29	0	0	0	113.3
27	S	29.7	Very low	29.7	Very low	103 Å²	103	149 Å²	149	72%	0.72	81%	0.806	S	S	*	*			trans	-172.3	145.7	162.6	75.6	0	0	0	0	106.9
28	F	28	Very low	29.6	Very low	191 Å²	191	147 Å²	147	84%	0.838	80%	0.801	S	S	*	*			cis	-154.6	139.6	26.1	-117.7	-89	0	0	0	108.2
29	F	28.4	Very low	29.7	Very low	184 Å²	184	152.8 Å²	152.8	81%	0.807	80%	0.802	S	S	*	*			trans	-66.3	132.2	156.4	-112.7	-102.2	0	0	0	108.4
30	S	29.8	Very low	29.6	Very low	100 Å²	100	150.3 Å²	150.3	70%	0.699	80%	0.798	S	S	*	*			trans	-136.5	107.4	156.3	-167.7	0	0	0	0	110
31	R	29.8	Very low	29.6	Very low	211 Å²	211	154.2 Å²	154.2	80%	0.796	80%	0.799	S	S	*	*			trans	-68.8	129.2	162.8	-67.8	175.6	176.6	-153.2	-2.3	107.1
32	H	31.5	Very low	29.6	Very low	181 Å²	181	154.1 Å²	154.1	84%	0.838	80%	0.801	S	S	*	*			trans	-112.9	100.3	155.6	-97.4	48.2	0	0	0	108.6
33	C	25.7	Very low	29.6	Very low	125 Å²	125	152.6 Å²	152.6	85%	0.845	80%	0.797	S	S	*	*			trans	-77.8	116.2	162.9	-165.1	0	0	0	0	106.2
34	C	28.9	Very low	29.6	Very low	125 Å²	125	159.6 Å²	159.6	85%	0.845	81%	0.809	S	S	*	*			trans	-115.4	110.6	166.5	-151.9	0	0	0	0	108.1
35	S	28.4	Very low	29.6	Very low	100 Å²	100	156.2 Å²	156.2	70%	0.699	82%	0.815	S	S	*	*			trans	-76.8	131	172.7	69	0	0	0	0	109.7
36	H	31.5	Very low	29.6	Very low	197 Å²	197	152.4 Å²	152.4	91%	0.912	81%	0.811	S	S	*	*			trans	-140.1	150.1	143.7	-98.5	-35	0	0	0	111.9
37	R	27.4	Very low	29.5	Very low	220 Å²	220	152.2 Å²	152.2	83%	0.83	82%	0.819	S	S	*	*			trans	-111.2	135.8	-148.8	-166.3	-175	-140.5	-138.8	4.5	108.7
38	T	28	Very low	29.5	Very low	115 Å²	115	153.1 Å²	153.1	71%	0.706	82%	0.819	S	S	*	*			trans	55.7	122.2	148.1	56.4	0	0	0	0	120.5
39	K	30	Very low	29.7	Very low	206 Å²	206	153.1 Å²	153.1	90%	0.896	82%	0.822	S	S	*	*				-172.5	121.3	106.8	-88.5	163.4	-171.2	-174.3	0	104.7
40	G	26.1	Very low	29.9	Very low	73 Å²	73	153.6 Å²	153.6	75%	0.753	82%	0.823	S	S	*	*			cis	94.4	67.4	46.2	0	0	0	0	0	109.4
41	L	30.2	Very low	29.7	Very low	161 Å²	161	152.1 Å²	152.1	84%	0.843	82%	0.824	S	S	*	*			trans	-141.4	112.6	163	-106.6	109.4	0	0	0	110
42	Q	31.7	Very low	29.7	Very low	192 Å²	192	150.8 Å²	150.8	90%	0.897	82%	0.824	S	S	*	*			trans	-61.5	130.7	167	-76.9	162.1	-53.2	0	0	109.8
43	Q	31.5	Very low	29.5	Very low	183 Å²	183	148.5 Å²	148.5	86%	0.855	82%	0.823	S	S	*	*			trans	-133	134.5	151.8	-78.4	-169.6	4.1	0	0	110.9
44	R	30.5	Very low	29.7	Very low	246 Å²	246	151.8 Å²	151.8	93%	0.928	82%	0.819	S	S	*	*			trans	-65.2	137.7	-172.7	-70.6	168.1	166.1	175.8	-6.2	110.9	G46	R44-G46 PolarHBondContact O-N 3.46Å
45	A	29.7	Very low	29.9	Very low	111 Å²	111	151.6 Å²	151.6	92%	0.917	82%	0.816	S	S	*	*			trans	-67.9	117.2	161.9	0	0	0	0	0	109.2
46	G	28.1	Very low	30.2	Very low	66 Å²	66	156.6 Å²	156.6	68%	0.68	83%	0.828	S	S	*	*			trans	-133.3	100	169.1	0	0	0	0	0	107.9	R44 V48	R44-G46 PolarHBondContact O-N 3.46Å; G46-V48 PolarHBondContact O-N 3.39Å
47	A	33.9	Very low	30.2	Very low	107 Å²	107	151.6 Å²	151.6	88%	0.884	82%	0.821	S	S	*	*			trans	-68.7	123.5	171.5	0	0	0	0	0	108.9
48	V	31.2	Very low	30.4	Very low	121 Å²	121	145.9 Å²	145.9	73%	0.733	82%	0.821	S	S	*	*			trans	-123.9	100.1	168.6	-179.7	0	0	0	0	107.2	G46 K50	G46-V48 PolarHBondContact O-N 3.39Å; V48-K50 HydrophobicContact CG1-CG 4.32Å; V48-K50 PolarHBondContact O-N 3.36Å
49	Q	31	Very low	30.6	Very low	192 Å²	192	149.3 Å²	149.3	90%	0.897	83%	0.834	S	S	*	*			trans	-66.3	116.6	161.1	-75.4	177.7	-26	0	0	107.8
50	K	32.2	Very low	30.7	Very low	193 Å²	193	144.6 Å²	144.6	84%	0.839	83%	0.827	S	S	*	*			trans	-94.5	102	163.1	-79.5	-173.5	176.5	-179.1	0	107.9	V48	V48-K50 HydrophobicContact CG1-CG 4.32Å; V48-K50 PolarHBondContact O-N 3.36Å
51	G	27.1	Very low	31.2	Very low	69 Å²	69	146.5 Å²	146.5	71%	0.711	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-67.6	130	165.9	0	0	0	0	0	110
52	F	28.2	Very low	31.4	Very low	183 Å²	183	149 Å²	149	80%	0.803	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-83.5	117	168.1	-127.9	-102.6	0	0	0	107.5	Y54	F52-Y54 HydrophobicContact CD1-CE2 4.36Å
53	V	27.8	Very low	31.7	Very low	134 Å²	134	144.8 Å²	144.8	81%	0.812	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-88.1	119.7	176.3	176.9	0	0	0	0	107.7
54	Y	30.9	Very low	32.3	Very low	194 Å²	194	140.9 Å²	140.9	76%	0.761	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-95.1	138.2	163.5	-80.4	-86.3	0	0	0	109	F52	F52-Y54 HydrophobicContact CD1-CE2 4.36Å
55	P	32.7	Very low	32.9	Very low	121 Å²	121	138 Å²	138	79%	0.786	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-77	128	179.3	29.8	-30.4	0	0	0	110.7
56	E	34.9	Very low	33.2	Very low	204 Å²	204	135.9 Å²	135.9	95%	0.953	81%	0.809	S	S	*	*			trans	-82.6	112	172.6	-164.3	177	-150.5	0	0	108.6
57	A	31.8	Very low	33.7	Very low	92 Å²	92	139 Å²	139	76%	0.76	82%	0.818	S	S	*	*			trans	-149.8	127.3	168.8	0	0	0	0	0	112.1
58	A	31.9	Very low	34.2	Very low	101 Å²	101	139.5 Å²	139.5	84%	0.835	81%	0.81	S	S	*	*			trans	75.1	89.2	159.3	0	0	0	0	0	118.7
59	L	31.6	Very low	34.9	Very low	187 Å²	187	136.2 Å²	136.2	98%	0.979	79%	0.792	S	S	*	*			trans	-136	97.9	147.7	-100.5	147.4	0	0	0	108.7
60	S	32.3	Very low	35.8	Very low	107 Å²	107	131 Å²	131	75%	0.748	78%	0.782	S	S	*	*			trans	-127.5	135.9	160.9	64.8	0	0	0	0	109.3
61	C	36.2	Very low	36.6	Very low	113 Å²	113	126.8 Å²	126.8	76%	0.764	77%	0.773	S	S	*	*			trans	77	96.1	172.6	-62.8	0	0	0	0	116.5
62	F	34.2	Very low	37.4	Very low	212 Å²	212	128.3 Å²	128.3	93%	0.93	76%	0.761	S	S	*	*				-154.3	120.3	113.7	-97.4	-75	0	0	0	109.2
63	S	38.9	Very low	38.4	Very low	104 Å²	104	125.3 Å²	125.3	73%	0.727	75%	0.753	S	S	*	*			trans	-80.1	142.8	177.6	47.7	0	0	0	0	111.9
64	S	44.3	Very low	39.3	Very low	102 Å²	102	124.4 Å²	124.4	71%	0.713	74%	0.743	S	S	*	*			trans	57.9	93.5	154.3	68.6	0	0	0	0	118.3
65	L	41.5	Very low	39.9	Very low	184 Å²	184	123.8 Å²	123.8	96%	0.963	74%	0.74	S	S	*	*	S	Bend	trans	-172.2	117.1	131.8	-99	142.2	0	0	0	109.3
66	G	36.4	Very low	40.6	Very low	68 Å²	68	126.9 Å²	126.9	70%	0.701	74%	0.736	S	S	*	*			trans	68.8	98.4	160.6	0	0	0	0	0	117.4	V68	G66-V68 VanDerWaalsContact C-N 3.31Å; G66-V68 PolarHBondContact O-N 3.38Å
67	C	38.3	Very low	41.5	Very low	131 Å²	131	122.2 Å²	122.2	89%	0.885	72%	0.716	S	S	*	*			trans	-65.3	91.1	158.9	-177.2	0	0	0	0	109	S69	C67-S69 PolarHBondContact O-N 3.43Å
68	V	44.6	Very low	42.5	Very low	118 Å²	118	121.5 Å²	121.5	72%	0.715	71%	0.706	S	S	*	*			trans	-82.6	103.4	157.8	-168.3	0	0	0	0	105.3	G66 A70	G66-V68 VanDerWaalsContact C-N 3.31Å; G66-V68 PolarHBondContact O-N 3.38Å; V68-A70 PolarHBondContact O-N 2.91Å
69	S	46.7	Very low	43.4	Very low	51 Å²	51	123 Å²	123	36%	0.357	70%	0.697	S	S	.	*			trans	-47.3	129.8	-174.9	26.3	0	0	0	0	112.6	C67 V71 Q72	C67-S69 PolarHBondContact O-N 3.43Å; S69-V71 PolarHBondContact O-N 2.84Å; S69-Q72 WeakPolarHBondContact O-CB 3.4Å; S69-Q72 PolarHBondContact O-N 2.96Å; S69-Q72 PolarHBondContact OG-OE1 3.29Å
70	A	50.5	Low	44.4	Very low	83 Å²	83	117.4 Å²	117.4	69%	0.686	67%	0.673	S	S	*	*	H	α-helix	trans	-50.1	-27.3	177.4	0	0	0	0	0	113.8	V68 Q72 L73 D74	V68-A70 PolarHBondContact O-N 2.91Å; A70-Q72 VanDerWaalsContact C-N 3.29Å; A70-Q72 PolarHBondContact O-N 3.35Å; A70-L73 PolarHBondContact O-N 3.11Å; A70-D74 PolarHBondContact O-N 3.23Å; A70-D74 VanDerWaalsContact O-N 3.11Å
71	V	48	Very low	45.6	Very low	105 Å²	105	115.2 Å²	115.2	64%	0.636	66%	0.658	S	S	*	*	H	α-helix	trans	-60.5	-31.9	174.1	-175.6	0	0	0	0	113.2	S69 R75	S69-V71 PolarHBondContact O-N 2.84Å; V71-R75 WeakPolarHBondContact O-CB 3.38Å; V71-R75 PolarHBondContact O-N 3.02Å; V71-R75 VanDerWaalsContact O-N 3.11Å
72	Q	44.1	Very low	47.2	Very low	100 Å²	100	112.8 Å²	112.8	47%	0.467	64%	0.642	S	S	.	*	H	α-helix	trans	-78.6	-31.7	179.2	-112.4	165.3	-33	0	0	112.5	S69 A70 R76	S69-Q72 WeakPolarHBondContact O-CB 3.4Å; S69-Q72 PolarHBondContact O-N 2.96Å; S69-Q72 PolarHBondContact OG-OE1 3.29Å; A70-Q72 VanDerWaalsContact C-N 3.29Å; A70-Q72 PolarHBondContact O-N 3.35Å; Q72-R76 WeakPolarHBondContact O-CG 3.49Å; Q72-R76 PolarHBondContact O-N 3.22Å
73	L	48.8	Very low	49.6	Very low	120 Å²	120	105.5 Å²	105.5	63%	0.628	62%	0.617	S	S	*	*	H	α-helix	trans	-72.2	-42.3	175	-164.6	71.9	0	0	0	110.4	A70 R76 I77	A70-L73 PolarHBondContact O-N 3.11Å; L73-R76 PolarHBondContact O-N 2.78Å; L73-I77 HydrophobicContact CG-CD1 4.36Å; L73-I77 WeakPolarHBondContact O-CG1 3.48Å; L73-I77 PolarHBondContact O-N 3.11Å
74	D	46.1	Very low	52.2	Low	115 Å²	115	102.9 Å²	102.9	62%	0.615	59%	0.594	S	S	*	*	H	α-helix	trans	-64.4	-40.7	176.9	-161.4	22.4	0	0	0	112.1	A70 R76 I77 S78	A70-D74 PolarHBondContact O-N 3.23Å; A70-D74 VanDerWaalsContact O-N 3.11Å; D74-R76 PolarHBondContact O-N 2.92Å; D74-I77 PolarHBondContact O-N 3.43Å; D74-S78 VanDerWaalsContact O-CB 3.3Å; D74-S78 WeakPolarHBondContact O-CB 3.3Å; D74-S78 PolarHBondContact O-N 3.47Å
75	R	44.2	Very low	54.7	Low	181 Å²	181	99.6 Å²	99.6	68%	0.683	57%	0.571	S	S	*	*	H	α-helix	trans	-63.1	-38.7	171.4	-101.3	-173.4	-177.4	-156.7	1.2	113.7	V71 S78 M79	V71-R75 WeakPolarHBondContact O-CB 3.38Å; V71-R75 PolarHBondContact O-N 3.02Å; V71-R75 VanDerWaalsContact O-N 3.11Å; R75-S78 PolarHBondContact O-N 2.88Å; R75-M79 WeakPolarHBondContact O-CB 3.15Å; R75-M79 VanDerWaalsContact O-CG 3.27Å; R75-M79 WeakPolarHBondContact O-CG 3.4Å; R75-M79 PolarHBondContact O-N 3.2Å
76	R	47.7	Very low	57.3	Low	187 Å²	187	96.3 Å²	96.3	71%	0.706	55%	0.551	S	S	*	*	H	α-helix	trans	-69.5	-38.6	178.5	-78.3	-177.3	-170.7	-161.9	3.4	111.9	Q72 L73 D74 C80	Q72-R76 WeakPolarHBondContact O-CG 3.49Å; Q72-R76 PolarHBondContact O-N 3.22Å; L73-R76 PolarHBondContact O-N 2.78Å; D74-R76 PolarHBondContact O-N 2.92Å; R76-C80 VanDerWaalsContact O-CB 3.23Å; R76-C80 WeakPolarHBondContact O-CB 3.38Å; R76-C80 PolarHBondContact O-N 3.48Å
77	I	53.8	Low	60.3	Low	106 Å²	106	95.2 Å²	95.2	54%	0.544	53%	0.525	S	S	.	.	H	α-helix	trans	-66.1	-43.2	174.4	-67	169	0	0	0	110.2	L73 D74 C80 S81	L73-I77 HydrophobicContact CG-CD1 4.36Å; L73-I77 WeakPolarHBondContact O-CG1 3.48Å; L73-I77 PolarHBondContact O-N 3.11Å; D74-I77 PolarHBondContact O-N 3.43Å; I77-C80 PolarHBondContact O-N 2.92Å; I77-S81 VanDerWaalsContact O-CB 3.29Å; I77-S81 WeakPolarHBondContact O-CB 3.41Å; I77-S81 PolarHBondContact O-N 2.89Å
78	S	53.2	Low	63.2	Low	77 Å²	77	90 Å²	90	54%	0.538	49%	0.489	S	S	.	.	H	α-helix	trans	-61.8	-44.5	175.1	178.7	0	0	0	0	112.9	D74 R75 S82	D74-S78 VanDerWaalsContact O-CB 3.3Å; D74-S78 WeakPolarHBondContact O-CB 3.3Å; D74-S78 PolarHBondContact O-N 3.47Å; R75-S78 PolarHBondContact O-N 2.88Å; S78-S82 WeakPolarHBondContact O-CB 3.23Å; S78-S82 PolarHBondContact O-N 2.97Å
79	M	50.8	Low	65.8	Low	131 Å²	131	84.4 Å²	84.4	65%	0.645	45%	0.454	S	S	*	.	H	α-helix	trans	-69.1	-39.3	177.5	-71.4	175.5	95.5	0	0	112.5	R75 S82 S83	R75-M79 WeakPolarHBondContact O-CB 3.15Å; R75-M79 VanDerWaalsContact O-CG 3.27Å; R75-M79 WeakPolarHBondContact O-CG 3.4Å; R75-M79 PolarHBondContact O-N 3.2Å; M79-S82 PolarHBondContact O-N 3.19Å; M79-S82 PolarHBondContact O-OG 3.34Å; M79-S83 PolarHBondContact O-N 3.13Å; M79-S83 VanDerWaalsContact O-N 3.12Å
80	C	51	Low	68.2	Low	71 Å²	71	82 Å²	82	48%	0.48	44%	0.438	S	S	.	.	H	α-helix	trans	-68.5	-39.3	176.4	-165.8	0	0	0	0	112.1	R76 I77 S82 S83 M84	R76-C80 VanDerWaalsContact O-CB 3.23Å; R76-C80 WeakPolarHBondContact O-CB 3.38Å; R76-C80 PolarHBondContact O-N 3.48Å; I77-C80 PolarHBondContact O-N 2.92Å; C80-S82 VanDerWaalsContact C-N 3.3Å; C80-S82 PolarHBondContact O-N 3.27Å; C80-S83 PolarHBondContact O-N 3.38Å; C80-S83 PolarHBondContact O-OG 3.45Å; C80-M84 WeakPolarHBondContact O-CG 3.41Å; C80-M84 PolarHBondContact O-N 3.03Å
81	S	58.5	Low	70.5	Confident	61 Å²	61	78.1 Å²	78.1	43%	0.427	41%	0.405	S	S	.	.	H	α-helix	trans	-62.4	-38.4	172.8	-179	0	0	0	0	111.7	I77 S83 S85	I77-S81 VanDerWaalsContact O-CB 3.29Å; I77-S81 WeakPolarHBondContact O-CB 3.41Å; I77-S81 PolarHBondContact O-N 2.89Å; S81-S83 VanDerWaalsContact C-N 3.35Å; S81-S85 PolarHBondContact O-N 3.05Å; S81-S85 PolarHBondContact O-OG 3.38Å
82	S	70.3	Confident	72.9	Confident	61 Å²	61	74 Å²	74	43%	0.427	38%	0.38	S	S	.	.	H	α-helix	trans	-69.9	-28.9	178.3	74.6	0	0	0	0	113.5	S78 M79 C80 S85 Q86	S78-S82 WeakPolarHBondContact O-CB 3.23Å; S78-S82 PolarHBondContact O-N 2.97Å; M79-S82 PolarHBondContact O-N 3.19Å; M79-S82 PolarHBondContact O-OG 3.34Å; C80-S82 VanDerWaalsContact C-N 3.3Å; C80-S82 PolarHBondContact O-N 3.27Å; S82-S85 PolarHBondContact O-OG 2.77Å; S82-Q86 WeakPolarHBondContact O-CG 3.27Å
83	S	84.4	Confident	75.5	Confident	60 Å²	60	69.7 Å²	69.7	42%	0.42	36%	0.36	S	S	.	.	H	α-helix	trans	-80.2	-37.9	176.3	69.3	0	0	0	0	111.9	M79 C80 S81 S85 Q86	M79-S83 PolarHBondContact O-N 3.13Å; M79-S83 VanDerWaalsContact O-N 3.12Å; C80-S83 PolarHBondContact O-N 3.38Å; C80-S83 PolarHBondContact O-OG 3.45Å; S81-S83 VanDerWaalsContact C-N 3.35Å; S83-S85 VanDerWaalsContact C-N 3.34Å; S83-S85 PolarHBondContact O-N 2.85Å; S83-Q86 PolarHBondContact O-N 3.46Å
84	M	93.5	Very high	77.9	Confident	49 Å²	49	65 Å²	65	24%	0.241	34%	0.335	C	S	.	.	H	α-helix	trans	-65.1	-36.3	176.5	-72.6	-172.2	65	0	0	112.6	C80 Q86 R87 P178 C182	C80-M84 WeakPolarHBondContact O-CG 3.41Å; C80-M84 PolarHBondContact O-N 3.03Å; M84-Q86 PolarHBondContact O-N 3.48Å; M84-R87 WeakPolarHBondContact O-CB 3.4Å; M84-R87 WeakPolarHBondContact O-CG 3.29Å; M84-R87 PolarHBondContact O-N 3.09Å; M84-R87 VanDerWaalsContact O-N 3.17Å; M84-P178 HydrophobicContact CB-CG 4.39Å; M84-C182 PolarHBondContact O-SG 3.25Å
85	S	95.9	Very high	80.4	Confident	32 Å²	32	60.4 Å²	60.4	22%	0.224	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-19	178.1	61.7	0	0	0	0	114.1	S81 S82 S83	S81-S85 PolarHBondContact O-N 3.05Å; S81-S85 PolarHBondContact O-OG 3.38Å; S82-S85 PolarHBondContact O-OG 2.77Å; S83-S85 VanDerWaalsContact C-N 3.34Å; S83-S85 PolarHBondContact O-N 2.85Å
86	Q	97.3	Very high	82.9	Confident	115 Å²	115	51.9 Å²	51.9	54%	0.537	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	1.6	178.6	-62.7	-177.3	1.7	0	0	113.2	S82 S83 M84	S82-Q86 WeakPolarHBondContact O-CG 3.27Å; S83-Q86 PolarHBondContact O-N 3.46Å; M84-Q86 PolarHBondContact O-N 3.48Å
87	R	98.6	Very high	85.3	Confident	45 Å²	45	43.5 Å²	43.5	17%	0.17	25%	0.25	C	C	.	.			trans	-65.6	156.7	174.4	-69.7	177.1	176.7	179.5	-0.9	111.1	M84 I112 T113 H176 T177 C182	M84-R87 WeakPolarHBondContact O-CB 3.4Å; M84-R87 WeakPolarHBondContact O-CG 3.29Å; M84-R87 PolarHBondContact O-N 3.09Å; M84-R87 VanDerWaalsContact O-N 3.17Å; R87-I112 HydrophobicContact CB-CG2 4.26Å; R87-I112 HydrophobicContact CG-CG2 4.48Å; R87-T113 VanDerWaalsContact CA-O 3.24Å; R87-T113 WeakPolarHBondContact CA-O 3.37Å; R87-T113 VanDerWaalsContact CB-O 3.27Å; R87-T113 WeakPolarHBondContact CB-O 3.26Å; R87-T113 WeakPolarHBondContact CG-O 3.26Å; R87-H176 VanDerWaalsContact CD-O 3.26Å; R87-H176 WeakPolarHBondContact CD-O 3.41Å; R87-H176 PolarHBondContact NH1-O 2.94Å; R87-T177 HydrophobicContact CB-CG2 4.38Å; R87-C182 WeakPolarHBondContact O-CB 3.19Å; R87-C182 PolarHBondContact O-SG 3.26Å; R87-C182 VanDerWaalsContact O-SG 3.33Å
88	M	98.8	Very high	87.3	Confident	23 Å²	23	45.5 Å²	45.5	11%	0.113	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	138.8	178.3	-52.3	179.4	-169.6	0	0	109.2	W90 T113 L117 A185 I212	M88-W90 HydrophobicContact SD-CZ2 4.16Å; M88-T113 PolarHBondContact N-O 3.49Å; M88-T113 PolarHBondContact O-N 3.14Å; M88-T113 VanDerWaalsContact O-N 3.16Å; M88-L117 HydrophobicContact CE-CD2 4.15Å; M88-L117 HydrophobicContact SD-CD2 3.86Å; M88-A185 HydrophobicContact CB-CB 4.09Å; M88-I212 HydrophobicContact CE-CD1 3.76Å; M88-I212 HydrophobicContact CG-CD1 3.73Å; M88-I212 HydrophobicContact SD-CD1 3.51Å; M88-I212 VanDerWaalsContact SD-CD1 3.51Å
89	V	98.9	Very high	89.4	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	100	176.3	-175.7	0	0	0	0	108.1	V91 I112 V173 T177 C182 P183 L184 A185 F203 L207	V89-V91 HydrophobicContact CG1-CG2 4.26Å; V89-I112 HydrophobicContact CB-CD1 4.25Å; V89-I112 HydrophobicContact CG1-CD1 4.06Å; V89-I112 HydrophobicContact CG2-CD1 3.87Å; V89-V173 HydrophobicContact CG1-CG1 3.87Å; V89-T177 HydrophobicContact CG2-CG2 3.84Å; V89-C182 HydrophobicContact CG2-CB 3.98Å; V89-P183 PolarHBondContact N-O 3.29Å; V89-L184 CarbonylContact O-C 3.59Å; V89-L184 WeakPolarHBondContact O-CA 3.47Å; V89-A185 PolarHBondContact O-N 2.82Å; V89-F203 HydrophobicContact CG1-CZ 4.14Å; V89-L207 HydrophobicContact CB-CD1 4.43Å; V89-L207 HydrophobicContact CB-CD2 4.1Å; V89-L207 HydrophobicContact CG1-CD1 4.28Å; V89-L207 HydrophobicContact CG1-CD2 4.21Å; V89-L207 HydrophobicContact CG2-CD2 3.65Å
90	W	98.9	Very high	91.6	Very high	1 Å²	1	39.9 Å²	39.9	0%	0.004	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	126.6	-178.9	-65.3	76.5	0	0	0	110.3	M88 C110 I111 T113 L117 A185 V214 I245 I249 L252	M88-W90 HydrophobicContact SD-CZ2 4.16Å; W90-C110 CarbonylContact O-C 3.59Å; W90-C110 VanDerWaalsContact O-CA 3.24Å; W90-C110 WeakPolarHBondContact O-CA 3.33Å; W90-I111 WeakPolarHBondContact CA-O 3.44Å; W90-I111 HydrophobicContact CB-CB 4.19Å; W90-I111 WeakPolarHBondContact CB-O 3.31Å; W90-I111 PolarHBondContact N-O 3.46Å; W90-I111 PolarHBondContact O-N 3.42Å; W90-T113 VanDerWaalsContact NE1-CG2 3.34Å; W90-T113 PolarHBondContact NE1-OG1 3.5Å; W90-L117 HydrophobicContact CZ2-CD2 3.77Å; W90-A185 VanDerWaalsContact CA-O 3.27Å; W90-A185 WeakPolarHBondContact CA-O 3.31Å; W90-A185 HydrophobicContact CD2-CB 3.73Å; W90-A185 HydrophobicContact CE3-CB 4.09Å; W90-A185 HydrophobicContact CG-CB 4.04Å; W90-A185 HydrophobicContact CZ2-CB 4.17Å; W90-A185 HydrophobicContact CZ3-CB 4.49Å; W90-V214 HydrophobicContact CH2-CG2 3.9Å; W90-V214 HydrophobicContact CZ3-CG2 3.82Å; W90-I245 HydrophobicContact CB-CG2 3.6Å; W90-I245 HydrophobicContact CE3-CG2 4.47Å; W90-I245 HydrophobicContact CG-CG2 4.34Å; W90-I249 HydrophobicContact CD2-CD1 4.02Å; W90-I249 HydrophobicContact CD2-CG1 3.5Å; W90-I249 HydrophobicContact CE3-CD1 4.37Å; W90-I249 HydrophobicContact CE3-CG1 3.52Å; W90-I249 HydrophobicContact CG-CD1 4.13Å; W90-I249 HydrophobicContact CG-CG1 4.15Å; W90-I249 HydrophobicContact CH2-CB 4.44Å; W90-I249 HydrophobicContact CH2-CG1 3.87Å; W90-I249 HydrophobicContact CZ2-CG1 3.89Å; W90-I249 HydrophobicContact CZ3-CB 4.44Å; W90-I249 HydrophobicContact CZ3-CG1 3.69Å; W90-L252 HydrophobicContact CH2-CB 4.08Å; W90-L252 HydrophobicContact CH2-CD2 3.6Å; W90-L252 HydrophobicContact CH2-CG 4.48Å; W90-L252 HydrophobicContact CZ2-CD2 3.91Å
91	V	98.8	Very high	93.7	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	146.2	179	173.7	0	0	0	0	108.7	V89 L93 M108 A109 L184 A185 L196 F203	V89-V91 HydrophobicContact CG1-CG2 4.26Å; V91-L93 HydrophobicContact CG1-CD2 3.92Å; V91-L93 HydrophobicContact CG1-CG 4.22Å; V91-M108 HydrophobicContact CG1-CE 3.85Å; V91-M108 HydrophobicContact CG1-CG 4.31Å; V91-M108 HydrophobicContact CG2-CE 4.08Å; V91-A109 WeakPolarHBondContact CA-O 3.4Å; V91-L184 HydrophobicContact CB-CD1 3.82Å; V91-L184 HydrophobicContact CG2-CD1 3.57Å; V91-A185 PolarHBondContact N-O 3.01Å; V91-L196 HydrophobicContact CG1-CD1 4.21Å; V91-F203 HydrophobicContact CG2-CE1 4.35Å; V91-F203 HydrophobicContact CG2-CZ 4.02Å
92	D	98.5	Very high	95.6	Very high	19 Å²	19	47 Å²	47	10%	0.102	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	139.5	166.8	-171.7	87.4	0	0	0	107.3	A109 A241 I245	D92-A109 PolarHBondContact O-N 3.45Å; D92-A241 HydrophobicContact CB-CB 4.28Å; D92-A241 WeakPolarHBondContact OD2-CA 3.11Å; D92-I245 HydrophobicContact CB-CD1 4.06Å; D92-I245 HydrophobicContact CB-CG1 3.47Å; D92-I245 VanDerWaalsContact CB-CG1 3.47Å
93	L	98.4	Very high	96.9	Very high	9 Å²	9	45.2 Å²	45.2	5%	0.047	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	140	179.5	-59.2	-174.2	0	0	0	109.9	V91 M95 I105 E107 M108 D192 F195 L196	V91-L93 HydrophobicContact CG1-CD2 3.92Å; V91-L93 HydrophobicContact CG1-CG 4.22Å; L93-M95 HydrophobicContact CB-CG 4.44Å; L93-M95 HydrophobicContact CB-SD 3.41Å; L93-M95 WeakPolarHBondContact CB-SD 3.38Å; L93-M95 HydrophobicContact CD1-SD 4.4Å; L93-M95 VanDerWaalsContact O-SD 3.41Å; L93-I105 HydrophobicContact CD1-CD1 4.01Å; L93-I105 HydrophobicContact CD1-CG1 4.22Å; L93-I105 HydrophobicContact CD1-CG2 4.43Å; L93-I105 HydrophobicContact CD2-CG2 4.04Å; L93-E107 WeakPolarHBondContact CA-O 3.4Å; L93-M108 HydrophobicContact CD2-CB 3.51Å; L93-M108 HydrophobicContact CD2-CG 3.36Å; L93-M108 HydrophobicContact CD2-SD 3.72Å; L93-D192 HydrophobicContact CD1-CB 3.95Å; L93-D192 HydrophobicContact CG-CB 3.97Å; L93-F195 HydrophobicContact CD1-CB 4Å; L93-L196 HydrophobicContact CD1-CD2 4.12Å; L93-L196 HydrophobicContact CD1-CG 4.01Å; L93-L196 HydrophobicContact CD2-CD2 4.38Å
94	E	97.9	Very high	97.6	Very high	21 Å²	21	44.3 Å²	44.3	10%	0.098	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	134.7	157.8	-60.4	-68.6	170.4	0	0	108.4	I106 E107 H146 L151	E94-I106 VanDerWaalsContact C-CG1 3.48Å; E94-I106 HydrophobicContact CB-CD1 4.39Å; E94-I106 HydrophobicContact CB-CG1 4Å; E94-I106 WeakPolarHBondContact O-CG1 3.42Å; E94-I106 PolarHBondContact O-N 3.01Å; E94-E107 HydrophobicContact CB-CB 3.78Å; E94-E107 HydrophobicContact CG-CB 4.02Å; E94-E107 PolarHBondContact N-O 3.34Å; E94-E107 PolarHBondContact O-N 3.39Å; E94-H146 IonicContact OE2-CE1 2.69Å; E94-H146 PolarHBondContact OE2-CE1 3.41Å; E94-L151 HydrophobicContact CB-CD2 3.6Å; E94-L151 HydrophobicContact CG-CD2 3.85Å
95	M	98.1	Very high	97.8	Very high	19 Å²	19	42 Å²	42	9%	0.094	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	161.5	-179.2	-59.6	86.4	74.4	0	0	111.1	L93 G97 L98 Q104 H146 F195	L93-M95 HydrophobicContact CB-CG 4.44Å; L93-M95 HydrophobicContact CB-SD 3.41Å; L93-M95 WeakPolarHBondContact CB-SD 3.38Å; L93-M95 HydrophobicContact CD1-SD 4.4Å; L93-M95 VanDerWaalsContact O-SD 3.41Å; M95-G97 VanDerWaalsContact CB-O 3.29Å; M95-G97 WeakPolarHBondContact CB-O 3.4Å; M95-G97 PolarHBondContact O-N 3.34Å; M95-L98 HydrophobicContact CE-CD2 4.38Å; M95-Q104 VanDerWaalsContact CA-O 3.29Å; M95-Q104 WeakPolarHBondContact CA-O 3.07Å; M95-H146 PolarHBondContact O-NE2 2.77Å; M95-F195 HydrophobicContact CB-CE1 4.18Å; M95-F195 HydrophobicContact CB-CZ 4.21Å; M95-F195 HydrophobicContact CE-CD2 4.02Å; M95-F195 HydrophobicContact CE-CE2 3.86Å; M95-F195 HydrophobicContact CE-CZ 4.44Å; M95-F195 HydrophobicContact CG-CD1 3.87Å; M95-F195 HydrophobicContact CG-CD2 4.22Å; M95-F195 HydrophobicContact CG-CE1 3.82Å; M95-F195 HydrophobicContact CG-CE2 4.18Å; M95-F195 HydrophobicContact CG-CG 4.08Å; M95-F195 HydrophobicContact CG-CZ 3.98Å
96	T	98	Very high	97.9	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.006	20%	0.198	C	C	.	.	S	Bend	trans	-69.2	-12.5	172.8	61.3	0	0	0	0	113.4	D103 Q104 I106 L134 L135 M138 C142	T96-D103 VanDerWaalsContact C-OD1 3.32Å; T96-D103 WeakPolarHBondContact OG1-CA 3.2Å; T96-D103 VanDerWaalsContact OG1-CB 3.26Å; T96-D103 WeakPolarHBondContact OG1-CB 3.29Å; T96-D103 PolarHBondContact OG1-OD1 3.17Å; T96-Q104 PolarHBondContact N-O 3.17Å; T96-Q104 PolarHBondContact OG1-N 2.99Å; T96-I106 HydrophobicContact CG2-CG2 3.63Å; T96-L134 HydrophobicContact CG2-CD2 3.8Å; T96-L134 HydrophobicContact CG2-CG 4.15Å; T96-L135 HydrophobicContact CG2-CD2 4.26Å; T96-M138 HydrophobicContact CG2-CG 4.28Å; T96-M138 HydrophobicContact CG2-SD 3.97Å; T96-M138 WeakPolarHBondContact O-CG 3.33Å; T96-C142 PolarHBondContact O-SG 2.84Å
97	G	97.1	Very high	98	Very high	12 Å²	12	35 Å²	35	12%	0.124	17%	0.173	C	C	.	.			trans	172.3	-161.1	179.2	0	0	0	0	0	112	M95 D103	M95-G97 VanDerWaalsContact CB-O 3.29Å; M95-G97 WeakPolarHBondContact CB-O 3.4Å; M95-G97 PolarHBondContact O-N 3.34Å; G97-D103 VanDerWaalsContact C-CG 3.47Å; G97-D103 WeakPolarHBondContact CA-OD1 3.4Å; G97-D103 WeakPolarHBondContact CA-OD2 3.31Å; G97-D103 VanDerWaalsContact N-CG 3.34Å; G97-D103 PolarHBondContact N-OD1 3.32Å
98	L	95.9	Very high	98	Very high	147 Å²	147	32.9 Å²	32.9	77%	0.77	17%	0.165	S	C	*	.	S	Bend	trans	-112.9	-3.1	-173.6	-60	177.7	0	0	0	113.8	M95 V100 D103	M95-L98 HydrophobicContact CE-CD2 4.38Å; L98-V100 PolarHBondContact O-N 3.46Å; L98-D103 PolarHBondContact N-OD2 2.99Å
99	D	97.1	Very high	98	Very high	60 Å²	60	31.8 Å²	31.8	32%	0.321	16%	0.159	S	C	.	.			trans	-89.9	97.6	178.2	-175.1	-7.6	0	0	0	109.7	E101 K102 D103	D99-E101 PolarHBondContact O-N 3.45Å; D99-E101 WeakPolarHBondContact OD1-CB 3.49Å; D99-E101 PolarHBondContact OD1-N 2.86Å; D99-K102 HydrophobicContact CB-CB 4.46Å; D99-K102 PolarHBondContact O-N 3.43Å; D99-K102 IonicContact OD2-NZ 3.91Å; D99-K102 PolarHBondContact OD2-NZ 3.05Å; D99-D103 WeakPolarHBondContact CA-OD2 3.37Å; D99-D103 WeakPolarHBondContact CB-OD2 3.17Å; D99-D103 PolarHBondContact N-OD2 3.29Å; D99-D103 WeakPolarHBondContact O-CB 3.45Å; D99-D103 PolarHBondContact O-N 3.32Å
100	V	97.2	Very high	98	Very high	31 Å²	31	31.8 Å²	31.8	19%	0.188	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-15.6	-179.1	77.1	0	0	0	0	114.1	L98 F195 K198 Y199	L98-V100 PolarHBondContact O-N 3.46Å; V100-F195 HydrophobicContact CB-CE2 4.44Å; V100-F195 HydrophobicContact CB-CZ 4.47Å; V100-F195 HydrophobicContact CG2-CD1 4.43Å; V100-F195 HydrophobicContact CG2-CD2 4.38Å; V100-F195 HydrophobicContact CG2-CG 4.32Å; V100-K198 HydrophobicContact CG2-CB 4.32Å; V100-K198 HydrophobicContact CG2-CD 3.84Å; V100-K198 WeakPolarHBondContact O-CD 3.44Å; V100-K198 PolarHBondContact O-NZ 3.37Å; V100-Y199 HydrophobicContact CG2-CE2 4.2Å; V100-Y199 PolarHBondContact O-OH 3.35Å
101	E	96.8	Very high	98	Very high	134 Å²	134	31.7 Å²	31.7	63%	0.626	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-17.1	175.4	-62.8	-53.1	127.9	0	0	113.9	D99 K198	D99-E101 PolarHBondContact O-N 3.45Å; D99-E101 WeakPolarHBondContact OD1-CB 3.49Å; D99-E101 PolarHBondContact OD1-N 2.86Å; E101-K198 IonicContact OE1-NZ 2.64Å; E101-K198 PolarHBondContact OE1-NZ 3.44Å; E101-K198 IonicContact OE2-NZ 2.72Å; E101-K198 PolarHBondContact OE2-NZ 3.42Å
102	K	96.3	Very high	98	Very high	146 Å²	146	31.7 Å²	31.7	64%	0.635	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123.2	-43.7	-176.3	-58.4	-169.8	-170.7	105.3	0	112.5	D99 Q104	D99-K102 HydrophobicContact CB-CB 4.46Å; D99-K102 PolarHBondContact O-N 3.43Å; D99-K102 IonicContact OD2-NZ 3.91Å; D99-K102 PolarHBondContact OD2-NZ 3.05Å; K102-Q104 PolarHBondContact O-NE2 3.05Å
103	D	98.4	Very high	98	Very high	25 Å²	25	30.8 Å²	30.8	13%	0.134	15%	0.154	C	C	.	.			trans	-78.3	154	-173.3	-67.8	-53.7	0	0	0	112.1	T96 G97 L98 D99 F195 Y199	T96-D103 VanDerWaalsContact C-OD1 3.32Å; T96-D103 WeakPolarHBondContact OG1-CA 3.2Å; T96-D103 VanDerWaalsContact OG1-CB 3.26Å; T96-D103 WeakPolarHBondContact OG1-CB 3.29Å; T96-D103 PolarHBondContact OG1-OD1 3.17Å; G97-D103 VanDerWaalsContact C-CG 3.47Å; G97-D103 WeakPolarHBondContact CA-OD1 3.4Å; G97-D103 WeakPolarHBondContact CA-OD2 3.31Å; G97-D103 VanDerWaalsContact N-CG 3.34Å; G97-D103 PolarHBondContact N-OD1 3.32Å; L98-D103 PolarHBondContact N-OD2 2.99Å; D99-D103 WeakPolarHBondContact CA-OD2 3.37Å; D99-D103 WeakPolarHBondContact CB-OD2 3.17Å; D99-D103 PolarHBondContact N-OD2 3.29Å; D99-D103 WeakPolarHBondContact O-CB 3.45Å; D99-D103 PolarHBondContact O-N 3.32Å; D103-F195 HydrophobicContact CB-CE1 3.92Å; D103-F195 HydrophobicContact CB-CZ 3.93Å; D103-F195 WeakPolarHBondContact O-CE1 3.47Å; D103-Y199 WeakPolarHBondContact O-CE2 3.42Å; D103-Y199 PolarHBondContact O-OH 2.94Å
104	Q	98.5	Very high	98	Very high	40 Å²	40	32 Å²	32	19%	0.187	16%	0.16	C	C	.	.			trans	-126.2	159.5	-177.3	-55.1	-59.8	-40.5	0	0	111.7	M95 T96 K102 Q130 L134 Y199	M95-Q104 VanDerWaalsContact CA-O 3.29Å; M95-Q104 WeakPolarHBondContact CA-O 3.07Å; T96-Q104 PolarHBondContact N-O 3.17Å; T96-Q104 PolarHBondContact OG1-N 2.99Å; K102-Q104 PolarHBondContact O-NE2 3.05Å; Q104-Q130 HydrophobicContact CB-CG 4.22Å; Q104-Q130 VanDerWaalsContact CB-NE2 3.31Å; Q104-L134 HydrophobicContact CB-CD2 3.71Å; Q104-L134 HydrophobicContact CG-CD2 3.39Å; Q104-Y199 PolarHBondContact NE2-OH 3.19Å
105	I	98.6	Very high	98	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	132.6	173.5	-51.6	174.7	0	0	0	108.7	L93 I128 Q130 L162 F195 L196 Y199 M200	L93-I105 HydrophobicContact CD1-CD1 4.01Å; L93-I105 HydrophobicContact CD1-CG1 4.22Å; L93-I105 HydrophobicContact CD1-CG2 4.43Å; L93-I105 HydrophobicContact CD2-CG2 4.04Å; I105-I128 HydrophobicContact CB-CD1 4.34Å; I105-I128 HydrophobicContact CG2-CD1 3.89Å; I105-Q130 PolarHBondContact O-NE2 3.46Å; I105-L162 HydrophobicContact CD1-CD1 4.36Å; I105-F195 HydrophobicContact CD1-CB 4.15Å; I105-F195 HydrophobicContact CG1-CB 4.1Å; I105-F195 HydrophobicContact CG1-CD1 4.07Å; I105-L196 HydrophobicContact CD1-CD2 4.45Å; I105-Y199 HydrophobicContact CD1-CD2 4.45Å; I105-Y199 HydrophobicContact CG1-CD2 4.38Å; I105-M200 HydrophobicContact CD1-CE 4.38Å; I105-M200 HydrophobicContact CD1-CG 4.48Å
106	I	98.4	Very high	97.9	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	-24.6	-179.6	52.6	169.6	0	0	0	113.8	E94 T96 I127 I128 Q130 L135 L151 V155	E94-I106 VanDerWaalsContact C-CG1 3.48Å; E94-I106 HydrophobicContact CB-CD1 4.39Å; E94-I106 HydrophobicContact CB-CG1 4Å; E94-I106 WeakPolarHBondContact O-CG1 3.42Å; E94-I106 PolarHBondContact O-N 3.01Å; T96-I106 HydrophobicContact CG2-CG2 3.63Å; I106-I127 CarbonylContact O-C 3.52Å; I106-I127 WeakPolarHBondContact O-CA 3.42Å; I106-I128 PolarHBondContact O-N 3.19Å; I106-Q130 HydrophobicContact CG2-CB 4.43Å; I106-Q130 HydrophobicContact CG2-CG 3.62Å; I106-L135 HydrophobicContact CG2-CD2 4.45Å; I106-L151 HydrophobicContact CD1-CD2 3.71Å; I106-L151 HydrophobicContact CD1-CG 4.21Å; I106-L151 HydrophobicContact CG1-CD2 4.16Å; I106-V155 HydrophobicContact CB-CG2 3.71Å; I106-V155 HydrophobicContact CG2-CG1 4.22Å; I106-V155 HydrophobicContact CG2-CG2 4.08Å
107	E	98.6	Very high	97.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	145.8	167.7	-163.9	171.8	-141	0	0	109.5	L93 E94 M126 I127 L151 R240 A241	L93-E107 WeakPolarHBondContact CA-O 3.4Å; E94-E107 HydrophobicContact CB-CB 3.78Å; E94-E107 HydrophobicContact CG-CB 4.02Å; E94-E107 PolarHBondContact N-O 3.34Å; E94-E107 PolarHBondContact O-N 3.39Å; E107-M126 WeakPolarHBondContact CA-O 3.45Å; E107-I127 HydrophobicContact CG-CG1 4.15Å; E107-L151 HydrophobicContact CB-CD1 4.04Å; E107-L151 HydrophobicContact CB-CD2 4.3Å; E107-L151 HydrophobicContact CG-CD1 4.47Å; E107-R240 IonicContact OE1-CZ 3.51Å; E107-R240 VanDerWaalsContact OE1-CZ 3.23Å; E107-R240 IonicContact OE1-NE 3.23Å; E107-R240 PolarHBondContact OE1-NE 3.48Å; E107-R240 IonicContact OE1-NH2 2.76Å; E107-R240 PolarHBondContact OE1-NH2 2.88Å; E107-R240 IonicContact OE2-NE 2.9Å; E107-R240 PolarHBondContact OE2-NE 3.09Å; E107-A241 HydrophobicContact CG-CB 4.05Å; E107-A241 PolarHBondContact OE2-N 3.4Å
108	M	98.6	Very high	98	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	140.5	171	178.6	170.2	176.1	0	0	109.5	V91 L93 S125 M126 F169 L196 M200 F203	V91-M108 HydrophobicContact CG1-CE 3.85Å; V91-M108 HydrophobicContact CG1-CG 4.31Å; V91-M108 HydrophobicContact CG2-CE 4.08Å; L93-M108 HydrophobicContact CD2-CB 3.51Å; L93-M108 HydrophobicContact CD2-CG 3.36Å; L93-M108 HydrophobicContact CD2-SD 3.72Å; M108-S125 WeakPolarHBondContact O-CA 3.48Å; M108-M126 PolarHBondContact N-O 3.23Å; M108-M126 PolarHBondContact O-N 3.45Å; M108-F169 HydrophobicContact CB-CE2 3.72Å; M108-F169 HydrophobicContact CB-CZ 3.75Å; M108-F169 HydrophobicContact CE-CB 4.16Å; M108-F169 HydrophobicContact CE-CD1 3.84Å; M108-F169 HydrophobicContact CE-CD2 3.92Å; M108-F169 HydrophobicContact CE-CE1 4.23Å; M108-F169 HydrophobicContact CE-CE2 4.36Å; M108-F169 HydrophobicContact CE-CG 3.7Å; M108-F169 HydrophobicContact CG-CD1 4.4Å; M108-F169 HydrophobicContact CG-CD2 4.08Å; M108-F169 HydrophobicContact CG-CE1 3.88Å; M108-F169 HydrophobicContact CG-CE2 3.57Å; M108-F169 HydrophobicContact CG-CZ 3.48Å; M108-F169 VanDerWaalsContact CG-CZ 3.48Å; M108-F169 VanDerWaalsContact O-CZ 3.32Å; M108-F169 WeakPolarHBondContact O-CZ 3.32Å; M108-F169 HydrophobicContact SD-CD1 4.35Å; M108-F169 HydrophobicContact SD-CD2 3.52Å; M108-F169 VanDerWaalsContact SD-CD2 3.52Å; M108-F169 HydrophobicContact SD-CE1 4.37Å; M108-F169 HydrophobicContact SD-CE2 3.61Å; M108-F169 HydrophobicContact SD-CG 3.96Å; M108-F169 HydrophobicContact SD-CZ 4.07Å; M108-L196 HydrophobicContact CE-CD2 4Å; M108-L196 HydrophobicContact SD-CD2 4.01Å; M108-M200 HydrophobicContact CE-SD 4.4Å; M108-M200 HydrophobicContact SD-CE 3.94Å; M108-M200 HydrophobicContact SD-SD 3.61Å; M108-M200 VanDerWaalsContact SD-SD 3.61Å; M108-F203 HydrophobicContact CE-CD1 4.49Å; M108-F203 HydrophobicContact CE-CE1 4.02Å; M108-F203 HydrophobicContact CE-CE2 4.2Å; M108-F203 HydrophobicContact CE-CZ 3.86Å
109	A	98.7	Very high	98.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	159.5	167.5	0	0	0	0	0	110.9	V91 D92 P124 A241 L242 I245	V91-A109 WeakPolarHBondContact CA-O 3.4Å; D92-A109 PolarHBondContact O-N 3.45Å; A109-P124 WeakPolarHBondContact CA-O 3.45Å; A109-A241 HydrophobicContact CB-CB 3.64Å; A109-L242 HydrophobicContact CB-CB 3.93Å; A109-L242 HydrophobicContact CB-CD1 4.26Å; A109-I245 HydrophobicContact CB-CD1 3.7Å; A109-I245 WeakPolarHBondContact O-CD1 3.38Å
110	C	98.7	Very high	98.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	137	179.3	-173.4	0	0	0	0	111.5	W90 G123 P124 F169 F172	W90-C110 CarbonylContact O-C 3.59Å; W90-C110 VanDerWaalsContact O-CA 3.24Å; W90-C110 WeakPolarHBondContact O-CA 3.33Å; C110-G123 VanDerWaalsContact O-CA 3.25Å; C110-G123 WeakPolarHBondContact O-CA 3.41Å; C110-G123 PolarHBondContact O-N 2.76Å; C110-P124 PolarHBondContact N-O 3.22Å; C110-F169 HydrophobicContact CB-CD1 3.62Å; C110-F169 HydrophobicContact CB-CE1 3.67Å; C110-F172 HydrophobicContact CB-CD1 4.4Å; C110-F172 HydrophobicContact CB-CE1 4.29Å
111	I	98.9	Very high	98.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	142.3	170.8	-65.3	-172.5	0	0	0	109.2	W90 T113 I119 E122 L242 I245 K246 I249	W90-I111 WeakPolarHBondContact CA-O 3.44Å; W90-I111 HydrophobicContact CB-CB 4.19Å; W90-I111 WeakPolarHBondContact CB-O 3.31Å; W90-I111 PolarHBondContact N-O 3.46Å; W90-I111 PolarHBondContact O-N 3.42Å; I111-T113 HydrophobicContact CG2-CG2 4.29Å; I111-I119 HydrophobicContact CG2-CB 4.5Å; I111-I119 HydrophobicContact CG2-CD1 4.46Å; I111-I119 HydrophobicContact CG2-CG1 4.05Å; I111-I119 HydrophobicContact CG2-CG2 3.93Å; I111-E122 HydrophobicContact CD1-CG 4.32Å; I111-E122 HydrophobicContact CG1-CG 4.45Å; I111-L242 HydrophobicContact CD1-CD1 3.76Å; I111-L242 HydrophobicContact CG1-CD1 3.86Å; I111-I245 HydrophobicContact CB-CG2 3.99Å; I111-I245 HydrophobicContact CD1-CB 4.43Å; I111-I245 HydrophobicContact CD1-CG2 3.79Å; I111-I245 HydrophobicContact CG1-CG2 3.97Å; I111-K246 HydrophobicContact CD1-CG 3.85Å; I111-I249 HydrophobicContact CD1-CD1 4.47Å; I111-I249 HydrophobicContact CG2-CD1 4.06Å
112	I	98.8	Very high	98.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	128.2	170.7	-51.9	-61.2	0	0	0	109.4	R87 V89 I120 A121 F172 V173 H176 T177	R87-I112 HydrophobicContact CB-CG2 4.26Å; R87-I112 HydrophobicContact CG-CG2 4.48Å; V89-I112 HydrophobicContact CB-CD1 4.25Å; V89-I112 HydrophobicContact CG1-CD1 4.06Å; V89-I112 HydrophobicContact CG2-CD1 3.87Å; I112-I120 HydrophobicContact CG2-CB 4.46Å; I112-I120 PolarHBondContact O-N 3.04Å; I112-A121 HydrophobicContact CB-CB 4.45Å; I112-A121 PolarHBondContact N-O 3.27Å; I112-A121 PolarHBondContact O-N 3.16Å; I112-F172 HydrophobicContact CD1-CE1 4.02Å; I112-F172 HydrophobicContact CG1-CE1 3.62Å; I112-F172 HydrophobicContact CG1-CZ 3.75Å; I112-V173 HydrophobicContact CD1-CG1 4.33Å; I112-H176 HydrophobicContact CB-CB 4.41Å; I112-H176 HydrophobicContact CD1-CB 4.47Å; I112-H176 HydrophobicContact CG1-CB 3.82Å; I112-H176 HydrophobicContact CG2-CB 4.2Å; I112-T177 HydrophobicContact CD1-CG2 4.24Å; I112-T177 HydrophobicContact CG2-CG2 4.47Å
113	T	98.9	Very high	98.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	158.5	168	71.8	0	0	0	0	111.5	R87 M88 W90 I111 N118 I119 I249	R87-T113 VanDerWaalsContact CA-O 3.24Å; R87-T113 WeakPolarHBondContact CA-O 3.37Å; R87-T113 VanDerWaalsContact CB-O 3.27Å; R87-T113 WeakPolarHBondContact CB-O 3.26Å; R87-T113 WeakPolarHBondContact CG-O 3.26Å; M88-T113 PolarHBondContact N-O 3.49Å; M88-T113 PolarHBondContact O-N 3.14Å; M88-T113 VanDerWaalsContact O-N 3.16Å; W90-T113 VanDerWaalsContact NE1-CG2 3.34Å; W90-T113 PolarHBondContact NE1-OG1 3.5Å; I111-T113 HydrophobicContact CG2-CG2 4.29Å; T113-N118 CarbonylContact C-O 2.99Å; T113-N118 WeakPolarHBondContact CA-O 3.24Å; T113-N118 VanDerWaalsContact CB-O 3.28Å; T113-N118 WeakPolarHBondContact CB-O 3.36Å; T113-I119 HydrophobicContact CG2-CG1 4.32Å; T113-I249 HydrophobicContact CG2-CD1 3.89Å; T113-I249 HydrophobicContact CG2-CG1 4.49Å
114	D	98.4	Very high	98.2	Very high	34 Å²	34	28.6 Å²	28.6	18%	0.182	16%	0.158	C	C	.	.			trans	-73.4	-176.7	160.5	66.9	14.8	0	0	0	111.6	D116 L117 N118 I120	D114-D116 PolarHBondContact O-N 3.02Å; D114-D116 WeakPolarHBondContact OD1-CA 3.32Å; D114-D116 PolarHBondContact OD1-N 3.46Å; D114-L117 PolarHBondContact O-N 3.47Å; D114-L117 PolarHBondContact OD1-N 3.12Å; D114-L117 VanDerWaalsContact OD1-N 3.11Å; D114-N118 PolarHBondContact N-O 3.38Å; D114-N118 PolarHBondContact OD1-N 3.43Å; D114-N118 PolarHBondContact OD1-ND2 3.32Å; D114-N118 WeakPolarHBondContact OD2-CB 3.33Å; D114-N118 PolarHBondContact OD2-ND2 2.93Å; D114-I120 HydrophobicContact CB-CD1 4.1Å; D114-I120 HydrophobicContact CB-CG1 4.12Å
115	S	97.6	Very high	98.1	Very high	46 Å²	46	29.3 Å²	29.3	32%	0.322	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-19.8	176.9	50.5	0	0	0	0	113.8
116	D	97.1	Very high	98.1	Very high	72 Å²	72	30.6 Å²	30.6	39%	0.385	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	5.5	-176	-75.1	-56	0	0	0	113.6	D114 N118 R256	D114-D116 PolarHBondContact O-N 3.02Å; D114-D116 WeakPolarHBondContact OD1-CA 3.32Å; D114-D116 PolarHBondContact OD1-N 3.46Å; D116-N118 VanDerWaalsContact C-N 3.28Å; D116-N118 WeakPolarHBondContact CB-ND2 3.43Å; D116-R256 VanDerWaalsContact CA-NH1 3.28Å; D116-R256 PolarHBondContact O-NH1 2.87Å; D116-R256 VanDerWaalsContact O-NH1 3.14Å; D116-R256 IonicContact OD1-CZ 3.31Å; D116-R256 VanDerWaalsContact OD1-CZ 3.25Å; D116-R256 IonicContact OD1-NH1 2.59Å; D116-R256 PolarHBondContact OD1-NH1 3.3Å; D116-R256 IonicContact OD1-NH2 2.94Å; D116-R256 PolarHBondContact OD1-NH2 3.42Å
117	L	98.3	Very high	98.1	Very high	6 Å²	6	32.2 Å²	32.2	3%	0.031	18%	0.182	C	C	.	.	S	Bend	trans	71.3	21.2	-178.7	-45.4	174.2	0	0	0	113.1	M88 W90 D114 I249 L252 Q253	M88-L117 HydrophobicContact CE-CD2 4.15Å; M88-L117 HydrophobicContact SD-CD2 3.86Å; W90-L117 HydrophobicContact CZ2-CD2 3.77Å; D114-L117 PolarHBondContact O-N 3.47Å; D114-L117 PolarHBondContact OD1-N 3.12Å; D114-L117 VanDerWaalsContact OD1-N 3.11Å; L117-I249 HydrophobicContact CB-CG2 4.38Å; L117-L252 HydrophobicContact CD1-CB 4.22Å; L117-L252 HydrophobicContact CD1-CD2 4.12Å; L117-L252 HydrophobicContact CD1-CG 3.88Å; L117-L252 HydrophobicContact CD2-CD2 3.79Å; L117-L252 HydrophobicContact CD2-CG 4.47Å; L117-Q253 HydrophobicContact CB-CG 3.81Å; L117-Q253 HydrophobicContact CD1-CB 4.29Å; L117-Q253 HydrophobicContact CD1-CG 3.54Å; L117-Q253 HydrophobicContact CG-CG 4.32Å; L117-Q253 PolarHBondContact O-NE2 2.71Å; L117-Q253 VanDerWaalsContact O-NE2 3.12Å
118	N	98.3	Very high	98.1	Very high	87 Å²	87	32.2 Å²	32.2	47%	0.465	18%	0.182	S	C	.	.			trans	-81.4	131.3	169.3	-51.7	-61	0	0	0	109.2	T113 D114 D116 I120	T113-N118 CarbonylContact C-O 2.99Å; T113-N118 WeakPolarHBondContact CA-O 3.24Å; T113-N118 VanDerWaalsContact CB-O 3.28Å; T113-N118 WeakPolarHBondContact CB-O 3.36Å; D114-N118 PolarHBondContact N-O 3.38Å; D114-N118 PolarHBondContact OD1-N 3.43Å; D114-N118 PolarHBondContact OD1-ND2 3.32Å; D114-N118 WeakPolarHBondContact OD2-CB 3.33Å; D114-N118 PolarHBondContact OD2-ND2 2.93Å; D116-N118 VanDerWaalsContact C-N 3.28Å; D116-N118 WeakPolarHBondContact CB-ND2 3.43Å; N118-I120 PolarHBondContact O-N 2.97Å
119	I	98.4	Very high	98.1	Very high	77 Å²	77	35.5 Å²	35.5	40%	0.395	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	121.7	176.5	-63	174.9	0	0	0	109	I111 T113 E122 I249	I111-I119 HydrophobicContact CG2-CB 4.5Å; I111-I119 HydrophobicContact CG2-CD1 4.46Å; I111-I119 HydrophobicContact CG2-CG1 4.05Å; I111-I119 HydrophobicContact CG2-CG2 3.93Å; T113-I119 HydrophobicContact CG2-CG1 4.32Å; I119-E122 HydrophobicContact CG2-CG 4Å; I119-I249 HydrophobicContact CG1-CD1 4.39Å
120	I	98.1	Very high	98.1	Very high	75 Å²	75	36.6 Å²	36.6	39%	0.385	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-38.3	176.9	-59.4	-59.3	0	0	0	110.6	I112 D114 N118	I112-I120 HydrophobicContact CG2-CB 4.46Å; I112-I120 PolarHBondContact O-N 3.04Å; D114-I120 HydrophobicContact CB-CD1 4.1Å; D114-I120 HydrophobicContact CB-CG1 4.12Å; N118-I120 PolarHBondContact O-N 2.97Å
121	A	98.2	Very high	98	Very high	15 Å²	15	39.9 Å²	39.9	12%	0.124	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	135.9	178.7	0	0	0	0	0	110.4	I112 F172	I112-A121 HydrophobicContact CB-CB 4.45Å; I112-A121 PolarHBondContact N-O 3.27Å; I112-A121 PolarHBondContact O-N 3.16Å; A121-F172 HydrophobicContact CB-CE2 3.9Å; A121-F172 HydrophobicContact CB-CZ 3.79Å
122	E	98.4	Very high	98	Very high	99 Å²	99	43.8 Å²	43.8	46%	0.463	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	123.7	163.9	-62.8	-166.6	-174.8	0	0	107.9	I111 I119 K246	I111-E122 HydrophobicContact CD1-CG 4.32Å; I111-E122 HydrophobicContact CG1-CG 4.45Å; I119-E122 HydrophobicContact CG2-CG 4Å; E122-K246 VanDerWaalsContact CD-NZ 3.26Å; E122-K246 WeakPolarHBondContact OE1-CE 3.37Å; E122-K246 IonicContact OE1-NZ 2.77Å; E122-K246 PolarHBondContact OE1-NZ 3.08Å; E122-K246 IonicContact OE2-NZ 2.89Å; E122-K246 PolarHBondContact OE2-NZ 3.47Å
123	G	96.6	Very high	97.9	Very high	17 Å²	17	51 Å²	51	18%	0.175	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-169.9	179.2	0	0	0	0	0	112.4	C110 F172	C110-G123 VanDerWaalsContact O-CA 3.25Å; C110-G123 WeakPolarHBondContact O-CA 3.41Å; C110-G123 PolarHBondContact O-N 2.76Å; G123-F172 VanDerWaalsContact CA-CE1 3.49Å; G123-F172 VanDerWaalsContact CA-CE2 3.41Å; G123-F172 VanDerWaalsContact N-CZ 3.32Å
124	P	96	Very high	97.8	Very high	31 Å²	31	53 Å²	53	20%	0.201	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	153.3	176.4	23.1	-25.4	0	0	0	111.6	A109 C110 M126 F169	A109-P124 WeakPolarHBondContact CA-O 3.45Å; C110-P124 PolarHBondContact N-O 3.22Å; P124-M126 HydrophobicContact CB-CE 3.39Å; P124-M126 HydrophobicContact CB-CG 4.01Å; P124-M126 HydrophobicContact CB-SD 4.41Å; P124-M126 HydrophobicContact CG-CE 3.96Å; P124-F169 HydrophobicContact CB-CE1 4.25Å; P124-F169 HydrophobicContact CB-CZ 4.38Å; P124-F169 HydrophobicContact CG-CD1 3.73Å; P124-F169 HydrophobicContact CG-CE1 3.59Å; P124-F169 HydrophobicContact CG-CG 4.37Å; P124-F169 HydrophobicContact CG-CZ 4.08Å; P124-F169 VanDerWaalsContact O-CE1 3.24Å; P124-F169 WeakPolarHBondContact O-CE1 3.38Å
125	S	97	Very high	97.8	Very high	56 Å²	56	51.6 Å²	51.6	39%	0.392	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	112.2	166.1	-180	0	0	0	0	106.5	M108	M108-S125 WeakPolarHBondContact O-CA 3.48Å
126	M	98.1	Very high	97.7	Very high	27 Å²	27	54.7 Å²	54.7	13%	0.133	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	136.9	-167.8	-60.9	-164.3	178.6	0	0	111.3	E107 M108 P124 M160 A165 E168 F169	E107-M126 WeakPolarHBondContact CA-O 3.45Å; M108-M126 PolarHBondContact N-O 3.23Å; M108-M126 PolarHBondContact O-N 3.45Å; P124-M126 HydrophobicContact CB-CE 3.39Å; P124-M126 HydrophobicContact CB-CG 4.01Å; P124-M126 HydrophobicContact CB-SD 4.41Å; P124-M126 HydrophobicContact CG-CE 3.96Å; M126-M160 HydrophobicContact CE-CE 4.48Å; M126-M160 HydrophobicContact SD-CE 3.85Å; M126-M160 HydrophobicContact SD-CG 4.32Å; M126-M160 HydrophobicContact SD-SD 4.19Å; M126-A165 HydrophobicContact SD-CB 4.34Å; M126-E168 HydrophobicContact CE-CB 3.4Å; M126-E168 HydrophobicContact CE-CG 3.68Å; M126-E168 HydrophobicContact SD-CB 4.1Å; M126-E168 HydrophobicContact SD-CG 4.39Å; M126-F169 HydrophobicContact CB-CE2 4.24Å; M126-F169 HydrophobicContact CB-CZ 4.32Å; M126-F169 HydrophobicContact CG-CE2 4.25Å; M126-F169 HydrophobicContact CG-CZ 4.2Å; M126-F169 HydrophobicContact SD-CE2 4.35Å
127	I	98.6	Very high	97.7	Very high	35 Å²	35	54.2 Å²	54.2	18%	0.179	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	123.9	171.8	-60	175.6	0	0	0	107.1	I106 E107 L151 A154 V155 S158 M160	I106-I127 CarbonylContact O-C 3.52Å; I106-I127 WeakPolarHBondContact O-CA 3.42Å; E107-I127 HydrophobicContact CG-CG1 4.15Å; I127-L151 HydrophobicContact CD1-CD1 4.13Å; I127-L151 HydrophobicContact CG1-CD1 4.11Å; I127-L151 HydrophobicContact CG2-CD1 4.08Å; I127-A154 HydrophobicContact CD1-CB 3.46Å; I127-A154 VanDerWaalsContact CD1-CB 3.46Å; I127-A154 HydrophobicContact CG2-CB 4.23Å; I127-V155 HydrophobicContact CG2-CB 4.25Å; I127-V155 HydrophobicContact CG2-CG2 3.62Å; I127-S158 WeakPolarHBondContact O-CB 3.47Å; I127-S158 PolarHBondContact O-OG 3.04Å; I127-M160 WeakPolarHBondContact O-CB 3.12Å
128	I	98.7	Very high	97.6	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-100.1	130.2	-172.7	-55.6	177.4	0	0	0	108.3	I105 I106 V155 L162 A165 M200	I105-I128 HydrophobicContact CB-CD1 4.34Å; I105-I128 HydrophobicContact CG2-CD1 3.89Å; I106-I128 PolarHBondContact O-N 3.19Å; I128-V155 WeakPolarHBondContact O-CG1 3.4Å; I128-L162 HydrophobicContact CD1-CD1 4.09Å; I128-L162 HydrophobicContact CG2-CB 4.33Å; I128-A165 HydrophobicContact CD1-CB 3.74Å; I128-A165 HydrophobicContact CG1-CB 3.94Å; I128-M200 HydrophobicContact CD1-CE 3.8Å
129	N	98.6	Very high	97.6	Very high	68 Å²	68	53.2 Å²	53.2	36%	0.364	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-66.5	140.8	178.8	-179.4	-108.2	0	0	0	111.1	V155 S158 M160	N129-V155 PolarHBondContact ND2-O 2.81Å; N129-S158 WeakPolarHBondContact CB-O 3.33Å; N129-S158 PolarHBondContact ND2-O 3.19Å; N129-M160 PolarHBondContact N-O 3.32Å
130	Q	98.3	Very high	97.5	Very high	23 Å²	23	56 Å²	56	11%	0.107	32%	0.324	C	S	.	.			trans	-137	154	172.1	-66.9	-61	-18.8	0	0	110	Q104 I105 I106 L134 L135 V155	Q104-Q130 HydrophobicContact CB-CG 4.22Å; Q104-Q130 VanDerWaalsContact CB-NE2 3.31Å; I105-Q130 PolarHBondContact O-NE2 3.46Å; I106-Q130 HydrophobicContact CG2-CB 4.43Å; I106-Q130 HydrophobicContact CG2-CG 3.62Å; Q130-L134 HydrophobicContact CB-CD2 3.97Å; Q130-L134 HydrophobicContact CG-CD2 4.05Å; Q130-L135 HydrophobicContact CB-CD2 4.3Å; Q130-V155 HydrophobicContact CB-CG1 4.01Å; Q130-V155 HydrophobicContact CG-CG1 4.41Å
131	P	97.8	Very high	97.4	Very high	70 Å²	70	59.9 Å²	59.9	46%	0.455	33%	0.334	S	S	.	.			trans	-61.1	145.3	176.6	-20.9	32.5	0	0	0	112.5	E133 L134 L135	P131-E133 WeakPolarHBondContact CB-OE2 3.45Å; P131-E133 PolarHBondContact O-N 3.17Å; P131-L134 WeakPolarHBondContact O-CB 3.31Å; P131-L134 PolarHBondContact O-N 3.43Å; P131-L135 PolarHBondContact O-N 3.11Å
132	D	97.3	Very high	97.3	Very high	82 Å²	82	59.6 Å²	59.6	44%	0.439	33%	0.331	S	S	.	.	H	α-helix	trans	-58.5	-36.1	178.5	-75.2	-27.9	0	0	0	111.7	L134 L135 D136 Q156	D132-L134 PolarHBondContact O-N 2.74Å; D132-L135 PolarHBondContact O-N 2.87Å; D132-L135 VanDerWaalsContact O-N 3.12Å; D132-D136 WeakPolarHBondContact O-CB 3.38Å; D132-D136 PolarHBondContact O-N 3.23Å; D132-Q156 WeakPolarHBondContact OD1-CG 3.48Å; D132-Q156 PolarHBondContact OD1-NE2 3.31Å
133	E	97.4	Very high	97.1	Very high	151 Å²	151	58.8 Å²	58.8	71%	0.706	33%	0.326	S	S	*	.	H	α-helix	trans	-62.2	-31.3	178.8	-58.6	81.8	-177.1	0	0	112.6	P131 G137	P131-E133 WeakPolarHBondContact CB-OE2 3.45Å; P131-E133 PolarHBondContact O-N 3.17Å; E133-G137 PolarHBondContact O-N 3.38Å; E133-G137 VanDerWaalsContact O-N 3.1Å
134	L	97.4	Very high	97	Very high	43 Å²	43	63.4 Å²	63.4	23%	0.225	34%	0.343	C	S	.	.	H	α-helix	trans	-72.7	-43.8	175.4	-176.6	74.4	0	0	0	110.8	T96 Q104 Q130 P131 D132 G137 M138	T96-L134 HydrophobicContact CG2-CD2 3.8Å; T96-L134 HydrophobicContact CG2-CG 4.15Å; Q104-L134 HydrophobicContact CB-CD2 3.71Å; Q104-L134 HydrophobicContact CG-CD2 3.39Å; Q130-L134 HydrophobicContact CB-CD2 3.97Å; Q130-L134 HydrophobicContact CG-CD2 4.05Å; P131-L134 WeakPolarHBondContact O-CB 3.31Å; P131-L134 PolarHBondContact O-N 3.43Å; D132-L134 PolarHBondContact O-N 2.74Å; L134-G137 CarbonylContact O-C 3.05Å; L134-G137 WeakPolarHBondContact O-CA 3.46Å; L134-G137 PolarHBondContact O-N 2.72Å; L134-G137 VanDerWaalsContact O-N 3.09Å; L134-M138 PolarHBondContact O-N 2.86Å
135	L	97.6	Very high	96.9	Very high	3 Å²	3	63.3 Å²	63.3	2%	0.016	34%	0.339	C	S	.	.	H	α-helix	trans	-65.2	-41.7	179.7	-58.4	178.6	0	0	0	111.2	T96 I106 Q130 P131 D132 G137 M138 T152 V155 Q156	T96-L135 HydrophobicContact CG2-CD2 4.26Å; I106-L135 HydrophobicContact CG2-CD2 4.45Å; Q130-L135 HydrophobicContact CB-CD2 4.3Å; P131-L135 PolarHBondContact O-N 3.11Å; D132-L135 PolarHBondContact O-N 2.87Å; D132-L135 VanDerWaalsContact O-N 3.12Å; L135-G137 PolarHBondContact O-N 3.03Å; L135-M138 HydrophobicContact CB-CE 4.21Å; L135-M138 HydrophobicContact CD2-CE 4.17Å; L135-M138 HydrophobicContact CD2-SD 4.45Å; L135-M138 WeakPolarHBondContact O-CB 3.35Å; L135-M138 WeakPolarHBondContact O-CE 3.48Å; L135-M138 WeakPolarHBondContact O-CG 3.46Å; L135-M138 PolarHBondContact O-N 2.62Å; L135-T152 HydrophobicContact CD1-CG2 4.33Å; L135-V155 HydrophobicContact CD1-CB 4.39Å; L135-V155 HydrophobicContact CD1-CG1 3.89Å; L135-V155 HydrophobicContact CD2-CG1 4.02Å; L135-Q156 HydrophobicContact CD1-CG 3.59Å
136	D	96.1	Very high	96.8	Very high	112 Å²	112	60.7 Å²	60.7	60%	0.599	32%	0.321	S	S	*	.	H	α-helix	trans	-67.8	-22.8	173.5	-73.2	-16.2	0	0	0	112.3	D132 K143	D132-D136 WeakPolarHBondContact O-CB 3.38Å; D132-D136 PolarHBondContact O-N 3.23Å; D136-K143 WeakPolarHBondContact O-CE 3.44Å; D136-K143 PolarHBondContact O-NZ 2.81Å
137	G	96.4	Very high	96.6	Very high	61 Å²	61	61.5 Å²	61.5	63%	0.629	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-8.3	175.2	0	0	0	0	0	114.9	E133 L134 L135	E133-G137 PolarHBondContact O-N 3.38Å; E133-G137 VanDerWaalsContact O-N 3.1Å; L134-G137 CarbonylContact O-C 3.05Å; L134-G137 WeakPolarHBondContact O-CA 3.46Å; L134-G137 PolarHBondContact O-N 2.72Å; L134-G137 VanDerWaalsContact O-N 3.09Å; L135-G137 PolarHBondContact O-N 3.03Å
138	M	97.3	Very high	96.4	Very high	9 Å²	9	67.4 Å²	67.4	4%	0.044	36%	0.361	C	S	.	.	S	Bend	trans	-62	154.3	-179.4	-71.7	-167.5	-64.7	0	0	113	T96 L134 L135 C142 K143 T152	T96-M138 HydrophobicContact CG2-CG 4.28Å; T96-M138 HydrophobicContact CG2-SD 3.97Å; T96-M138 WeakPolarHBondContact O-CG 3.33Å; L134-M138 PolarHBondContact O-N 2.86Å; L135-M138 HydrophobicContact CB-CE 4.21Å; L135-M138 HydrophobicContact CD2-CE 4.17Å; L135-M138 HydrophobicContact CD2-SD 4.45Å; L135-M138 WeakPolarHBondContact O-CB 3.35Å; L135-M138 WeakPolarHBondContact O-CE 3.48Å; L135-M138 WeakPolarHBondContact O-CG 3.46Å; L135-M138 PolarHBondContact O-N 2.62Å; M138-C142 HydrophobicContact CB-CB 3.95Å; M138-C142 HydrophobicContact CG-CB 4.39Å; M138-C142 HydrophobicContact SD-CB 4Å; M138-K143 HydrophobicContact CB-CG 3.87Å; M138-K143 HydrophobicContact CE-CG 4.4Å; M138-K143 WeakPolarHBondContact O-CE 3.39Å; M138-K143 PolarHBondContact O-NZ 3.11Å; M138-T152 HydrophobicContact CE-CG2 4.49Å
139	S	96.5	Very high	96.1	Very high	63 Å²	63	69.2 Å²	69.2	44%	0.441	37%	0.374	S	S	.	.			trans	-60.2	155.4	170.6	71.7	0	0	0	0	112	W141 C142 K143	S139-W141 PolarHBondContact O-N 3.33Å; S139-C142 PolarHBondContact O-N 3.18Å; S139-C142 PolarHBondContact OG-N 2.84Å; S139-C142 PolarHBondContact OG-SG 2.93Å; S139-K143 PolarHBondContact O-N 3.05Å
140	D	97.3	Very high	96	Very high	136 Å²	136	67.7 Å²	67.7	73%	0.727	37%	0.373	S	S	*	.	H	α-helix	trans	-55.8	-38.9	179.1	-65.5	-21.3	0	0	0	112.3	K143 E144	D140-K143 PolarHBondContact O-N 3.34Å; D140-E144 WeakPolarHBondContact O-CB 3.24Å; D140-E144 PolarHBondContact O-N 3.18Å
141	W	95.4	Very high	95.9	Very high	157 Å²	157	66.7 Å²	66.7	60%	0.595	37%	0.369	S	S	*	.	H	α-helix	trans	-61.3	-49.8	175.9	-173.1	88.4	0	0	0	111.1	S139 K143 E144 H145	S139-W141 PolarHBondContact O-N 3.33Å; W141-K143 PolarHBondContact O-N 3.13Å; W141-E144 PolarHBondContact O-N 2.87Å; W141-H145 HydrophobicContact CE3-CB 4.36Å; W141-H145 HydrophobicContact CH2-CB 4.38Å; W141-H145 AromaticContact CH2-CD2 3.78Å; W141-H145 AromaticContact CH2-CE1 3.86Å; W141-H145 AromaticContact CH2-CG 3.82Å; W141-H145 AromaticContact CH2-ND1 3.92Å; W141-H145 AromaticContact CH2-NE2 3.78Å; W141-H145 AromaticContact CZ2-CE1 3.73Å; W141-H145 AromaticContact CZ2-CG 3.99Å; W141-H145 AromaticContact CZ2-ND1 3.66Å; W141-H145 HydrophobicContact CZ3-CB 4.28Å; W141-H145 WeakPolarHBondContact O-CB 3.47Å; W141-H145 PolarHBondContact O-N 2.64Å
142	C	95.6	Very high	95.8	Very high	8 Å²	8	64.7 Å²	64.7	5%	0.054	36%	0.355	C	S	.	.	H	α-helix	trans	-62.9	-40.8	179.2	-67.3	0	0	0	0	111.8	T96 M138 S139 H145 H146	T96-C142 PolarHBondContact O-SG 2.84Å; M138-C142 HydrophobicContact CB-CB 3.95Å; M138-C142 HydrophobicContact CG-CB 4.39Å; M138-C142 HydrophobicContact SD-CB 4Å; S139-C142 PolarHBondContact O-N 3.18Å; S139-C142 PolarHBondContact OG-N 2.84Å; S139-C142 PolarHBondContact OG-SG 2.93Å; C142-H145 PolarHBondContact O-N 2.72Å; C142-H146 VanDerWaalsContact O-CB 3.25Å; C142-H146 WeakPolarHBondContact O-CB 3.29Å; C142-H146 PolarHBondContact O-CD2 2.83Å; C142-H146 VanDerWaalsContact O-CG 3.32Å; C142-H146 PolarHBondContact O-N 2.89Å
143	K	94.8	Very high	95.9	Very high	83 Å²	83	65.7 Å²	65.7	36%	0.361	36%	0.357	S	S	.	.	H	α-helix	trans	-62.3	-47.3	177.1	-73.5	176.2	173.9	163.1	0	112.6	D136 M138 S139 D140 W141 H145 G147	D136-K143 WeakPolarHBondContact O-CE 3.44Å; D136-K143 PolarHBondContact O-NZ 2.81Å; M138-K143 HydrophobicContact CB-CG 3.87Å; M138-K143 HydrophobicContact CE-CG 4.4Å; M138-K143 WeakPolarHBondContact O-CE 3.39Å; M138-K143 PolarHBondContact O-NZ 3.11Å; S139-K143 PolarHBondContact O-N 3.05Å; D140-K143 PolarHBondContact O-N 3.34Å; W141-K143 PolarHBondContact O-N 3.13Å; K143-H145 VanDerWaalsContact C-N 3.34Å; K143-G147 WeakPolarHBondContact O-CA 3.27Å; K143-G147 PolarHBondContact O-N 3.15Å
144	E	95.1	Very high	95.9	Very high	113 Å²	113	59.9 Å²	59.9	53%	0.528	34%	0.336	S	S	.	.	H	α-helix	trans	-63.4	-45.1	178.2	-178.1	177.6	178	0	0	110.7	D140 W141 K148	D140-E144 WeakPolarHBondContact O-CB 3.24Å; D140-E144 PolarHBondContact O-N 3.18Å; W141-E144 PolarHBondContact O-N 2.87Å; E144-K148 HydrophobicContact CG-CD 4.22Å; E144-K148 WeakPolarHBondContact O-CB 3.43Å; E144-K148 VanDerWaalsContact O-CG 3.27Å; E144-K148 WeakPolarHBondContact O-CG 3.14Å; E144-K148 PolarHBondContact O-N 3.27Å; E144-K148 WeakPolarHBondContact OE1-CE 3.28Å; E144-K148 IonicContact OE1-NZ 3.23Å; E144-K148 PolarHBondContact OE1-NZ 3.06Å
145	H	93.3	Very high	95.9	Very high	29 Å²	29	57.9 Å²	57.9	13%	0.134	33%	0.325	C	S	.	.	H	α-helix	trans	-68.1	-55.6	-173.8	-158.9	80.7	0	0	0	112.6	W141 C142 K143 G147 K148 S149 H239	W141-H145 HydrophobicContact CE3-CB 4.36Å; W141-H145 HydrophobicContact CH2-CB 4.38Å; W141-H145 AromaticContact CH2-CD2 3.78Å; W141-H145 AromaticContact CH2-CE1 3.86Å; W141-H145 AromaticContact CH2-CG 3.82Å; W141-H145 AromaticContact CH2-ND1 3.92Å; W141-H145 AromaticContact CH2-NE2 3.78Å; W141-H145 AromaticContact CZ2-CE1 3.73Å; W141-H145 AromaticContact CZ2-CG 3.99Å; W141-H145 AromaticContact CZ2-ND1 3.66Å; W141-H145 HydrophobicContact CZ3-CB 4.28Å; W141-H145 WeakPolarHBondContact O-CB 3.47Å; W141-H145 PolarHBondContact O-N 2.64Å; C142-H145 PolarHBondContact O-N 2.72Å; K143-H145 VanDerWaalsContact C-N 3.34Å; H145-G147 VanDerWaalsContact C-N 3.27Å; H145-G147 PolarHBondContact O-N 2.89Å; H145-K148 PolarHBondContact O-N 3.33Å; H145-S149 PolarHBondContact O-N 2.82Å; H145-S149 VanDerWaalsContact O-N 3.14Å; H145-S149 PolarHBondContact O-OG 3.43Å; H145-H239 AromaticContact CD2-CG 3.92Å; H145-H239 AromaticContact CE1-CD2 3.08Å; H145-H239 PolarHBondContact CE1-CD2 3.08Å; H145-H239 AromaticContact CE1-CE1 3.3Å; H145-H239 PolarHBondContact CE1-CE1 2.77Å; H145-H239 AromaticContact CE1-CG 3.42Å; H145-H239 VanDerWaalsContact CE1-CG 3.42Å; H145-H239 AromaticContact CE1-ND1 3.55Å; H145-H239 AromaticContact CE1-NE2 2.99Å; H145-H239 PolarHBondContact CE1-NE2 2.89Å; H145-H239 WeakPolarHBondContact NE2-CB 3.35Å; H145-H239 AromaticContact NE2-CD2 3.09Å; H145-H239 PolarHBondContact NE2-CD2 3.3Å; H145-H239 AromaticContact NE2-CE1 3.27Å; H145-H239 PolarHBondContact NE2-CE1 3.14Å; H145-H239 VanDerWaalsContact NE2-CE1 3.27Å; H145-H239 AromaticContact NE2-CG 2.88Å; H145-H239 AromaticContact NE2-ND1 3.01Å; H145-H239 PolarHBondContact NE2-ND1 3.3Å; H145-H239 AromaticContact NE2-NE2 3.34Å; H145-H239 PolarHBondContact NE2-NE2 3.2Å
146	H	95.4	Very high	95.9	Very high	2 Å²	2	60.9 Å²	60.9	1%	0.009	34%	0.339	C	S	.	.	H	α-helix	trans	-70	-26.6	179.1	-61.2	-31.1	0	0	0	112.1	E94 M95 C142 S149 G150 L151 T152	E94-H146 IonicContact OE2-CE1 2.69Å; E94-H146 PolarHBondContact OE2-CE1 3.41Å; M95-H146 PolarHBondContact O-NE2 2.77Å; C142-H146 VanDerWaalsContact O-CB 3.25Å; C142-H146 WeakPolarHBondContact O-CB 3.29Å; C142-H146 PolarHBondContact O-CD2 2.83Å; C142-H146 VanDerWaalsContact O-CG 3.32Å; C142-H146 PolarHBondContact O-N 2.89Å; H146-S149 PolarHBondContact O-OG 3.38Å; H146-G150 PolarHBondContact O-N 2.88Å; H146-L151 HydrophobicContact CB-CB 4.27Å; H146-L151 PolarHBondContact O-N 3.03Å; H146-T152 VanDerWaalsContact C-OG1 3.28Å; H146-T152 VanDerWaalsContact CB-OG1 3.25Å; H146-T152 WeakPolarHBondContact CB-OG1 3.47Å; H146-T152 PolarHBondContact O-N 3.16Å; H146-T152 VanDerWaalsContact O-N 3.11Å; H146-T152 PolarHBondContact O-OG1 3.02Å
147	G	94.4	Very high	96	Very high	44 Å²	44	60.9 Å²	60.9	45%	0.454	34%	0.339	S	S	.	.	H	α-helix	trans	-66.7	-47.4	171.6	0	0	0	0	0	112.1	K143 H145 G150 T152	K143-G147 WeakPolarHBondContact O-CA 3.27Å; K143-G147 PolarHBondContact O-N 3.15Å; H145-G147 VanDerWaalsContact C-N 3.27Å; H145-G147 PolarHBondContact O-N 2.89Å; G147-G150 PolarHBondContact O-N 2.96Å; G147-T152 PolarHBondContact N-OG1 2.98Å
148	K	93.7	Very high	96.1	Very high	158 Å²	158	59 Å²	59	69%	0.687	32%	0.316	S	S	*	.	H	α-helix	trans	-66.8	-36.3	179.8	-76.7	176.2	-173.2	173.7	0	113.3	E144 H145 G150	E144-K148 HydrophobicContact CG-CD 4.22Å; E144-K148 WeakPolarHBondContact O-CB 3.43Å; E144-K148 VanDerWaalsContact O-CG 3.27Å; E144-K148 WeakPolarHBondContact O-CG 3.14Å; E144-K148 PolarHBondContact O-N 3.27Å; E144-K148 WeakPolarHBondContact OE1-CE 3.28Å; E144-K148 IonicContact OE1-NZ 3.23Å; E144-K148 PolarHBondContact OE1-NZ 3.06Å; H145-K148 PolarHBondContact O-N 3.33Å; K148-G150 PolarHBondContact O-N 2.85Å
149	S	92.4	Very high	96.1	Very high	39 Å²	39	68 Å²	68	27%	0.273	36%	0.355	S	S	.	.	H	α-helix	trans	-74	-13.5	175.8	66.9	0	0	0	0	113	H145 H146 L151	H145-S149 PolarHBondContact O-N 2.82Å; H145-S149 VanDerWaalsContact O-N 3.14Å; H145-S149 PolarHBondContact O-OG 3.43Å; H146-S149 PolarHBondContact O-OG 3.38Å; S149-L151 VanDerWaalsContact OG-CB 3.32Å; S149-L151 WeakPolarHBondContact OG-CB 3.36Å; S149-L151 PolarHBondContact OG-N 2.79Å
150	G	95.4	Very high	96.2	Very high	35 Å²	35	67.4 Å²	67.4	36%	0.361	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	3.9	-172.8	0	0	0	0	0	113.7	H146 G147 K148 Q153 A154	H146-G150 PolarHBondContact O-N 2.88Å; G147-G150 PolarHBondContact O-N 2.96Å; K148-G150 PolarHBondContact O-N 2.85Å; G150-Q153 PolarHBondContact O-N 2.95Å; G150-A154 PolarHBondContact O-N 3.03Å; G150-A154 VanDerWaalsContact O-N 3.14Å
151	L	96.3	Very high	96.3	Very high	2 Å²	2	63.8 Å²	63.8	1%	0.01	33%	0.329	C	S	.	.	H	α-helix	trans	-63.8	-43.1	-178.1	-179.7	58.7	0	0	0	111.9	E94 I106 E107 I127 H146 S149 Q153 A154 V155	E94-L151 HydrophobicContact CB-CD2 3.6Å; E94-L151 HydrophobicContact CG-CD2 3.85Å; I106-L151 HydrophobicContact CD1-CD2 3.71Å; I106-L151 HydrophobicContact CD1-CG 4.21Å; I106-L151 HydrophobicContact CG1-CD2 4.16Å; E107-L151 HydrophobicContact CB-CD1 4.04Å; E107-L151 HydrophobicContact CB-CD2 4.3Å; E107-L151 HydrophobicContact CG-CD1 4.47Å; I127-L151 HydrophobicContact CD1-CD1 4.13Å; I127-L151 HydrophobicContact CG1-CD1 4.11Å; I127-L151 HydrophobicContact CG2-CD1 4.08Å; H146-L151 HydrophobicContact CB-CB 4.27Å; H146-L151 PolarHBondContact O-N 3.03Å; S149-L151 VanDerWaalsContact OG-CB 3.32Å; S149-L151 WeakPolarHBondContact OG-CB 3.36Å; S149-L151 PolarHBondContact OG-N 2.79Å; L151-Q153 VanDerWaalsContact C-N 3.3Å; L151-Q153 PolarHBondContact O-N 2.79Å; L151-A154 CarbonylContact O-C 3.48Å; L151-A154 WeakPolarHBondContact O-CB 3.25Å; L151-A154 PolarHBondContact O-N 3.31Å; L151-V155 HydrophobicContact CD1-CG2 4.07Å; L151-V155 HydrophobicContact CG-CG2 4.23Å; L151-V155 VanDerWaalsContact O-CG2 3.31Å; L151-V155 WeakPolarHBondContact O-CG2 3.24Å; L151-V155 PolarHBondContact O-N 2.9Å
152	T	97.3	Very high	96.5	Very high	28 Å²	28	57.7 Å²	57.7	17%	0.172	31%	0.308	C	S	.	.	H	α-helix	trans	-55.2	-47.2	179.1	-53.8	0	0	0	0	111.5	L135 M138 H146 G147 A154 V155 Q156	L135-T152 HydrophobicContact CD1-CG2 4.33Å; M138-T152 HydrophobicContact CE-CG2 4.49Å; H146-T152 VanDerWaalsContact C-OG1 3.28Å; H146-T152 VanDerWaalsContact CB-OG1 3.25Å; H146-T152 WeakPolarHBondContact CB-OG1 3.47Å; H146-T152 PolarHBondContact O-N 3.16Å; H146-T152 VanDerWaalsContact O-N 3.11Å; H146-T152 PolarHBondContact O-OG1 3.02Å; G147-T152 PolarHBondContact N-OG1 2.98Å; T152-A154 VanDerWaalsContact C-N 3.31Å; T152-A154 PolarHBondContact O-N 2.83Å; T152-V155 PolarHBondContact O-N 2.89Å; T152-Q156 WeakPolarHBondContact O-CG 3.41Å; T152-Q156 PolarHBondContact O-N 2.89Å
153	Q	97.7	Very high	96.6	Very high	103 Å²	103	63.5 Å²	63.5	48%	0.481	33%	0.334	S	S	.	.	H	α-helix	trans	-66.5	-35.9	179.2	-175	60.5	80.5	0	0	111.9	G150 L151 N157	G150-Q153 PolarHBondContact O-N 2.95Å; L151-Q153 VanDerWaalsContact C-N 3.3Å; L151-Q153 PolarHBondContact O-N 2.79Å; Q153-N157 PolarHBondContact NE2-ND2 2.88Å; Q153-N157 WeakPolarHBondContact O-CB 3.48Å; Q153-N157 VanDerWaalsContact O-CG 3.23Å; Q153-N157 PolarHBondContact O-N 2.96Å; Q153-N157 VanDerWaalsContact O-N 3.13Å; Q153-N157 PolarHBondContact O-ND2 3.46Å; Q153-N157 VanDerWaalsContact O-ND2 3.11Å
154	A	97.8	Very high	96.8	Very high	30 Å²	30	64.2 Å²	64.2	25%	0.248	34%	0.339	C	S	.	.	H	α-helix	trans	-69.4	-34.6	177.6	0	0	0	0	0	112.4	I127 G150 L151 T152 N157 S158	I127-A154 HydrophobicContact CD1-CB 3.46Å; I127-A154 VanDerWaalsContact CD1-CB 3.46Å; I127-A154 HydrophobicContact CG2-CB 4.23Å; G150-A154 PolarHBondContact O-N 3.03Å; G150-A154 VanDerWaalsContact O-N 3.14Å; L151-A154 CarbonylContact O-C 3.48Å; L151-A154 WeakPolarHBondContact O-CB 3.25Å; L151-A154 PolarHBondContact O-N 3.31Å; T152-A154 VanDerWaalsContact C-N 3.31Å; T152-A154 PolarHBondContact O-N 2.83Å; A154-N157 PolarHBondContact O-N 3.35Å; A154-S158 WeakPolarHBondContact O-CB 3.43Å; A154-S158 PolarHBondContact O-N 2.98Å
155	V	98.3	Very high	97	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-62.5	-47.3	173.5	171	0	0	0	0	110.9	I106 I127 I128 N129 Q130 L135 L151 T152 N157 S158	I106-V155 HydrophobicContact CB-CG2 3.71Å; I106-V155 HydrophobicContact CG2-CG1 4.22Å; I106-V155 HydrophobicContact CG2-CG2 4.08Å; I127-V155 HydrophobicContact CG2-CB 4.25Å; I127-V155 HydrophobicContact CG2-CG2 3.62Å; I128-V155 WeakPolarHBondContact O-CG1 3.4Å; N129-V155 PolarHBondContact ND2-O 2.81Å; Q130-V155 HydrophobicContact CB-CG1 4.01Å; Q130-V155 HydrophobicContact CG-CG1 4.41Å; L135-V155 HydrophobicContact CD1-CB 4.39Å; L135-V155 HydrophobicContact CD1-CG1 3.89Å; L135-V155 HydrophobicContact CD2-CG1 4.02Å; L151-V155 HydrophobicContact CD1-CG2 4.07Å; L151-V155 HydrophobicContact CG-CG2 4.23Å; L151-V155 VanDerWaalsContact O-CG2 3.31Å; L151-V155 WeakPolarHBondContact O-CG2 3.24Å; L151-V155 PolarHBondContact O-N 2.9Å; T152-V155 PolarHBondContact O-N 2.89Å; V155-N157 VanDerWaalsContact C-N 3.26Å; V155-N157 PolarHBondContact O-N 3.34Å; V155-S158 WeakPolarHBondContact O-CB 3.37Å; V155-S158 PolarHBondContact O-N 3.21Å; V155-S158 VanDerWaalsContact O-N 3.11Å
156	Q	98	Very high	97.2	Very high	67 Å²	67	58.8 Å²	58.8	31%	0.313	31%	0.313	S	S	.	.	H	α-helix	trans	-60.1	-37.1	176.6	-67.2	179.9	-46.1	0	0	112.3	D132 L135 T152	D132-Q156 WeakPolarHBondContact OD1-CG 3.48Å; D132-Q156 PolarHBondContact OD1-NE2 3.31Å; L135-Q156 HydrophobicContact CD1-CG 3.59Å; T152-Q156 WeakPolarHBondContact O-CG 3.41Å; T152-Q156 PolarHBondContact O-N 2.89Å
157	N	98.2	Very high	97.4	Very high	112 Å²	112	65.5 Å²	65.5	60%	0.599	34%	0.34	S	S	*	.	H	α-helix	trans	-82.1	-14	179	-68.4	-27	0	0	0	113.5	Q153 A154 V155	Q153-N157 PolarHBondContact NE2-ND2 2.88Å; Q153-N157 WeakPolarHBondContact O-CB 3.48Å; Q153-N157 VanDerWaalsContact O-CG 3.23Å; Q153-N157 PolarHBondContact O-N 2.96Å; Q153-N157 VanDerWaalsContact O-N 3.13Å; Q153-N157 PolarHBondContact O-ND2 3.46Å; Q153-N157 VanDerWaalsContact O-ND2 3.11Å; A154-N157 PolarHBondContact O-N 3.35Å; V155-N157 VanDerWaalsContact C-N 3.26Å; V155-N157 PolarHBondContact O-N 3.34Å
158	S	98.3	Very high	97.6	Very high	22 Å²	22	67.6 Å²	67.6	15%	0.154	34%	0.338	C	S	.	.			trans	-69.9	146.4	-178.2	-174.1	0	0	0	0	111.1	I127 N129 A154 V155 M160	I127-S158 WeakPolarHBondContact O-CB 3.47Å; I127-S158 PolarHBondContact O-OG 3.04Å; N129-S158 WeakPolarHBondContact CB-O 3.33Å; N129-S158 PolarHBondContact ND2-O 3.19Å; A154-S158 WeakPolarHBondContact O-CB 3.43Å; A154-S158 PolarHBondContact O-N 2.98Å; V155-S158 WeakPolarHBondContact O-CB 3.37Å; V155-S158 PolarHBondContact O-N 3.21Å; V155-S158 VanDerWaalsContact O-N 3.11Å; S158-M160 WeakPolarHBondContact OG-CB 3.4Å; S158-M160 PolarHBondContact OG-N 2.88Å; S158-M160 VanDerWaalsContact OG-N 3.09Å
159	K	98	Very high	97.8	Very high	196 Å²	196	60 Å²	60	85%	0.852	31%	0.305	S	S	*	.			trans	-111.7	3.1	170.2	-60.7	-177.5	-179.3	179.8	0	112	T161	K159-T161 PolarHBondContact O-N 3.12Å
160	M	98.4	Very high	98.1	Very high	52 Å²	52	58.7 Å²	58.7	26%	0.256	30%	0.295	S	S	.	.			trans	-77.9	120.5	-178	-173.1	59.9	67.2	0	0	109.2	M126 I127 N129 S158 Q164 A165	M126-M160 HydrophobicContact CE-CE 4.48Å; M126-M160 HydrophobicContact SD-CE 3.85Å; M126-M160 HydrophobicContact SD-CG 4.32Å; M126-M160 HydrophobicContact SD-SD 4.19Å; I127-M160 WeakPolarHBondContact O-CB 3.12Å; N129-M160 PolarHBondContact N-O 3.32Å; S158-M160 WeakPolarHBondContact OG-CB 3.4Å; S158-M160 PolarHBondContact OG-N 2.88Å; S158-M160 VanDerWaalsContact OG-N 3.09Å; M160-Q164 HydrophobicContact SD-CB 3.4Å; M160-Q164 WeakPolarHBondContact SD-CB 3.31Å; M160-A165 HydrophobicContact CG-CB 4.08Å
161	T	98.7	Very high	98.3	Very high	59 Å²	59	58.8 Å²	58.8	36%	0.362	29%	0.29	S	S	.	.			trans	-81.6	161.3	171.2	60.3	0	0	0	0	111	K159 E163 Q164 A165	K159-T161 PolarHBondContact O-N 3.12Å; T161-E163 VanDerWaalsContact C-N 3.3Å; T161-E163 PolarHBondContact O-N 3.24Å; T161-Q164 PolarHBondContact O-N 3.1Å; T161-Q164 WeakPolarHBondContact OG1-CB 3.39Å; T161-Q164 WeakPolarHBondContact OG1-CG 3.15Å; T161-Q164 PolarHBondContact OG1-N 3.25Å; T161-Q164 PolarHBondContact OG1-OE1 2.94Å; T161-A165 PolarHBondContact O-N 2.68Å
162	L	98.6	Very high	98.4	Very high	29 Å²	29	59.8 Å²	59.8	15%	0.152	29%	0.294	C	S	.	.	H	α-helix	trans	-60.1	-41.8	177.2	-179.3	70.3	0	0	0	111.5	I105 I128 A165 E166 Y199 M200	I105-L162 HydrophobicContact CD1-CD1 4.36Å; I128-L162 HydrophobicContact CD1-CD1 4.09Å; I128-L162 HydrophobicContact CG2-CB 4.33Å; L162-A165 PolarHBondContact O-N 3.05Å; L162-E166 PolarHBondContact O-N 2.84Å; L162-Y199 HydrophobicContact CD2-CD1 4.25Å; L162-M200 HydrophobicContact CD1-CE 3.59Å; L162-M200 HydrophobicContact CD1-CG 4.36Å
163	E	98.6	Very high	98.5	Very high	130 Å²	130	58.5 Å²	58.5	61%	0.607	29%	0.286	S	S	*	.	H	α-helix	trans	-68	-38.5	-178.3	-60.9	76.7	-170.1	0	0	111.8	T161 Y167	T161-E163 VanDerWaalsContact C-N 3.3Å; T161-E163 PolarHBondContact O-N 3.24Å; E163-Y167 WeakPolarHBondContact O-CB 3.17Å; E163-Y167 PolarHBondContact O-N 2.86Å
164	Q	98.7	Very high	98.5	Very high	98 Å²	98	60.5 Å²	60.5	46%	0.458	29%	0.289	S	S	.	.	H	α-helix	trans	-65.6	-45.1	173.6	-73.4	167	-38.1	0	0	110.8	M160 T161 Y167 E168	M160-Q164 HydrophobicContact SD-CB 3.4Å; M160-Q164 WeakPolarHBondContact SD-CB 3.31Å; T161-Q164 PolarHBondContact O-N 3.1Å; T161-Q164 WeakPolarHBondContact OG1-CB 3.39Å; T161-Q164 WeakPolarHBondContact OG1-CG 3.15Å; T161-Q164 PolarHBondContact OG1-N 3.25Å; T161-Q164 PolarHBondContact OG1-OE1 2.94Å; Q164-Y167 PolarHBondContact O-N 3.3Å; Q164-E168 VanDerWaalsContact O-CG 3.31Å; Q164-E168 WeakPolarHBondContact O-CG 3.35Å; Q164-E168 PolarHBondContact O-N 3.14Å
165	A	98.8	Very high	98.5	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-59.2	-48.8	176	0	0	0	0	0	111.1	M126 I128 M160 T161 L162 Y167 E168 F169 M200	M126-A165 HydrophobicContact SD-CB 4.34Å; I128-A165 HydrophobicContact CD1-CB 3.74Å; I128-A165 HydrophobicContact CG1-CB 3.94Å; M160-A165 HydrophobicContact CG-CB 4.08Å; T161-A165 PolarHBondContact O-N 2.68Å; L162-A165 PolarHBondContact O-N 3.05Å; A165-Y167 VanDerWaalsContact C-N 3.3Å; A165-Y167 PolarHBondContact O-N 3.04Å; A165-E168 PolarHBondContact O-N 3.43Å; A165-E168 VanDerWaalsContact O-N 3.17Å; A165-F169 HydrophobicContact CB-CD2 4.47Å; A165-F169 HydrophobicContact CB-CE2 4.37Å; A165-F169 WeakPolarHBondContact O-CD2 3.48Å; A165-F169 PolarHBondContact O-N 3.29Å; A165-M200 HydrophobicContact CB-CE 4.01Å
166	E	98.8	Very high	98.5	Very high	28 Å²	28	67.1 Å²	67.1	13%	0.131	32%	0.315	C	S	.	.	H	α-helix	trans	-54.5	-46.6	177	-178.8	179.1	-150.5	0	0	111.4	L162 E168 F169 L170 M200 P201 Q202 F203	L162-E166 PolarHBondContact O-N 2.84Å; E166-E168 PolarHBondContact O-N 2.89Å; E166-F169 PolarHBondContact O-N 2.93Å; E166-L170 WeakPolarHBondContact O-CB 3.38Å; E166-L170 PolarHBondContact O-N 3.43Å; E166-M200 HydrophobicContact CB-CB 4.34Å; E166-M200 HydrophobicContact CB-CE 4.48Å; E166-M200 HydrophobicContact CB-CG 3.96Å; E166-M200 HydrophobicContact CB-SD 4.08Å; E166-M200 HydrophobicContact CG-CB 3.93Å; E166-M200 HydrophobicContact CG-CG 4.12Å; E166-M200 HydrophobicContact CG-SD 4.47Å; E166-M200 WeakPolarHBondContact OE1-CA 3.42Å; E166-P201 VanDerWaalsContact OE1-N 3.13Å; E166-Q202 WeakPolarHBondContact OE1-CA 3.48Å; E166-Q202 VanDerWaalsContact OE1-CB 3.31Å; E166-Q202 WeakPolarHBondContact OE1-CB 3.32Å; E166-Q202 PolarHBondContact OE1-N 3.42Å; E166-F203 HydrophobicContact CG-CB 4.23Å; E166-F203 PolarHBondContact OE1-N 3.48Å
167	Y	98.8	Very high	98.6	Very high	144 Å²	144	64.1 Å²	64.1	57%	0.565	30%	0.301	S	S	*	.	H	α-helix	trans	-60.4	-44.8	179.4	175.8	-96.8	0	0	0	112.2	E163 Q164 A165 L170 S171	E163-Y167 WeakPolarHBondContact O-CB 3.17Å; E163-Y167 PolarHBondContact O-N 2.86Å; Q164-Y167 PolarHBondContact O-N 3.3Å; A165-Y167 VanDerWaalsContact C-N 3.3Å; A165-Y167 PolarHBondContact O-N 3.04Å; Y167-L170 PolarHBondContact O-N 3.11Å; Y167-S171 WeakPolarHBondContact O-CB 3.45Å; Y167-S171 PolarHBondContact O-N 2.79Å
168	E	98.8	Very high	98.6	Very high	87 Å²	87	59.8 Å²	59.8	41%	0.407	28%	0.279	S	S	.	.	H	α-helix	trans	-65.3	-44.6	-179.5	-68	-66.9	155.4	0	0	111.5	M126 Q164 A165 E166 S171 F172	M126-E168 HydrophobicContact CE-CB 3.4Å; M126-E168 HydrophobicContact CE-CG 3.68Å; M126-E168 HydrophobicContact SD-CB 4.1Å; M126-E168 HydrophobicContact SD-CG 4.39Å; Q164-E168 VanDerWaalsContact O-CG 3.31Å; Q164-E168 WeakPolarHBondContact O-CG 3.35Å; Q164-E168 PolarHBondContact O-N 3.14Å; A165-E168 PolarHBondContact O-N 3.43Å; A165-E168 VanDerWaalsContact O-N 3.17Å; E166-E168 PolarHBondContact O-N 2.89Å; E168-S171 PolarHBondContact O-N 2.81Å; E168-F172 WeakPolarHBondContact O-CB 3.47Å; E168-F172 PolarHBondContact O-N 3.34Å
169	F	98.9	Very high	98.5	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64.5	-43.5	174.7	-75	-68.2	0	0	0	112.3	M108 C110 P124 M126 A165 E166 F172 V173 F203	M108-F169 HydrophobicContact CB-CE2 3.72Å; M108-F169 HydrophobicContact CB-CZ 3.75Å; M108-F169 HydrophobicContact CE-CB 4.16Å; M108-F169 HydrophobicContact CE-CD1 3.84Å; M108-F169 HydrophobicContact CE-CD2 3.92Å; M108-F169 HydrophobicContact CE-CE1 4.23Å; M108-F169 HydrophobicContact CE-CE2 4.36Å; M108-F169 HydrophobicContact CE-CG 3.7Å; M108-F169 HydrophobicContact CG-CD1 4.4Å; M108-F169 HydrophobicContact CG-CD2 4.08Å; M108-F169 HydrophobicContact CG-CE1 3.88Å; M108-F169 HydrophobicContact CG-CE2 3.57Å; M108-F169 HydrophobicContact CG-CZ 3.48Å; M108-F169 VanDerWaalsContact CG-CZ 3.48Å; M108-F169 VanDerWaalsContact O-CZ 3.32Å; M108-F169 WeakPolarHBondContact O-CZ 3.32Å; M108-F169 HydrophobicContact SD-CD1 4.35Å; M108-F169 HydrophobicContact SD-CD2 3.52Å; M108-F169 VanDerWaalsContact SD-CD2 3.52Å; M108-F169 HydrophobicContact SD-CE1 4.37Å; M108-F169 HydrophobicContact SD-CE2 3.61Å; M108-F169 HydrophobicContact SD-CG 3.96Å; M108-F169 HydrophobicContact SD-CZ 4.07Å; C110-F169 HydrophobicContact CB-CD1 3.62Å; C110-F169 HydrophobicContact CB-CE1 3.67Å; P124-F169 HydrophobicContact CB-CE1 4.25Å; P124-F169 HydrophobicContact CB-CZ 4.38Å; P124-F169 HydrophobicContact CG-CD1 3.73Å; P124-F169 HydrophobicContact CG-CE1 3.59Å; P124-F169 HydrophobicContact CG-CG 4.37Å; P124-F169 HydrophobicContact CG-CZ 4.08Å; P124-F169 VanDerWaalsContact O-CE1 3.24Å; P124-F169 WeakPolarHBondContact O-CE1 3.38Å; M126-F169 HydrophobicContact CB-CE2 4.24Å; M126-F169 HydrophobicContact CB-CZ 4.32Å; M126-F169 HydrophobicContact CG-CE2 4.25Å; M126-F169 HydrophobicContact CG-CZ 4.2Å; M126-F169 HydrophobicContact SD-CE2 4.35Å; A165-F169 HydrophobicContact CB-CD2 4.47Å; A165-F169 HydrophobicContact CB-CE2 4.37Å; A165-F169 WeakPolarHBondContact O-CD2 3.48Å; A165-F169 PolarHBondContact O-N 3.29Å; E166-F169 PolarHBondContact O-N 2.93Å; F169-F172 PolarHBondContact O-N 3.43Å; F169-V173 WeakPolarHBondContact O-CG1 3.47Å; F169-V173 WeakPolarHBondContact O-CG2 3.23Å; F169-V173 PolarHBondContact O-N 2.88Å; F169-F203 HydrophobicContact CB-CD2 3.81Å; F169-F203 HydrophobicContact CB-CE2 3.84Å
170	L	98.8	Very high	98.5	Very high	11 Å²	11	55.5 Å²	55.5	6%	0.058	28%	0.276	C	S	.	.	H	α-helix	trans	-62.9	-43.9	177.5	177.3	57.2	0	0	0	111.7	E166 Y167 F172 V173 R174 Q202 H206	E166-L170 WeakPolarHBondContact O-CB 3.38Å; E166-L170 PolarHBondContact O-N 3.43Å; Y167-L170 PolarHBondContact O-N 3.11Å; L170-F172 VanDerWaalsContact C-N 3.32Å; L170-F172 PolarHBondContact O-N 3.42Å; L170-V173 HydrophobicContact CD1-CG2 4.32Å; L170-V173 WeakPolarHBondContact O-CG2 3.47Å; L170-V173 PolarHBondContact O-N 3.42Å; L170-R174 HydrophobicContact CD1-CG 4.13Å; L170-R174 WeakPolarHBondContact O-CB 3.49Å; L170-R174 VanDerWaalsContact O-CG 3.26Å; L170-R174 WeakPolarHBondContact O-CG 3.27Å; L170-R174 PolarHBondContact O-N 3.38Å; L170-Q202 HydrophobicContact CD2-CB 3.84Å; L170-H206 HydrophobicContact CD1-CB 3.85Å
171	S	98.8	Very high	98.5	Very high	37 Å²	37	57.1 Å²	57.1	26%	0.259	28%	0.283	S	S	.	.	H	α-helix	trans	-59.9	-44.8	176.4	-177.7	0	0	0	0	111	Y167 E168 Q175	Y167-S171 WeakPolarHBondContact O-CB 3.45Å; Y167-S171 PolarHBondContact O-N 2.79Å; E168-S171 PolarHBondContact O-N 2.81Å; S171-Q175 WeakPolarHBondContact O-CG 3.32Å; S171-Q175 PolarHBondContact O-N 3.48Å; S171-Q175 PolarHBondContact O-NE2 3.14Å; S171-Q175 VanDerWaalsContact O-NE2 3.14Å
172	F	98.8	Very high	98.5	Very high	23 Å²	23	54.3 Å²	54.3	10%	0.101	27%	0.266	C	S	.	.	H	α-helix	trans	-60.8	-54.1	175.7	172.4	-105.4	0	0	0	112	C110 I112 A121 G123 E168 F169 L170 R174 Q175 H176	C110-F172 HydrophobicContact CB-CD1 4.4Å; C110-F172 HydrophobicContact CB-CE1 4.29Å; I112-F172 HydrophobicContact CD1-CE1 4.02Å; I112-F172 HydrophobicContact CG1-CE1 3.62Å; I112-F172 HydrophobicContact CG1-CZ 3.75Å; A121-F172 HydrophobicContact CB-CE2 3.9Å; A121-F172 HydrophobicContact CB-CZ 3.79Å; G123-F172 VanDerWaalsContact CA-CE1 3.49Å; G123-F172 VanDerWaalsContact CA-CE2 3.41Å; G123-F172 VanDerWaalsContact N-CZ 3.32Å; E168-F172 WeakPolarHBondContact O-CB 3.47Å; E168-F172 PolarHBondContact O-N 3.34Å; F169-F172 PolarHBondContact O-N 3.43Å; L170-F172 VanDerWaalsContact C-N 3.32Å; L170-F172 PolarHBondContact O-N 3.42Å; F172-R174 VanDerWaalsContact C-N 3.27Å; F172-R174 PolarHBondContact O-N 3.41Å; F172-Q175 WeakPolarHBondContact O-CB 3.33Å; F172-Q175 PolarHBondContact O-N 3.44Å; F172-Q175 VanDerWaalsContact O-N 3.09Å; F172-H176 AromaticContact CD2-CD2 3.63Å; F172-H176 AromaticContact CD2-NE2 3.69Å; F172-H176 AromaticContact CE2-CD2 3.33Å; F172-H176 WeakPolarHBondContact CE2-CD2 3.26Å; F172-H176 AromaticContact CE2-NE2 3.29Å; F172-H176 VanDerWaalsContact CE2-NE2 3.29Å; F172-H176 WeakPolarHBondContact CE2-NE2 3.29Å; F172-H176 AromaticContact CZ-CD2 3.69Å; F172-H176 PolarHBondContact O-CD2 3.11Å
173	V	98.6	Very high	98.5	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-65.5	-30.1	-176.1	-61.3	0	0	0	0	112.9	V89 I112 F169 L170 Q175 H176 T177 F203	V89-V173 HydrophobicContact CG1-CG1 3.87Å; I112-V173 HydrophobicContact CD1-CG1 4.33Å; F169-V173 WeakPolarHBondContact O-CG1 3.47Å; F169-V173 WeakPolarHBondContact O-CG2 3.23Å; F169-V173 PolarHBondContact O-N 2.88Å; L170-V173 HydrophobicContact CD1-CG2 4.32Å; L170-V173 WeakPolarHBondContact O-CG2 3.47Å; L170-V173 PolarHBondContact O-N 3.42Å; V173-Q175 VanDerWaalsContact C-N 3.27Å; V173-Q175 PolarHBondContact O-N 2.77Å; V173-H176 PolarHBondContact O-N 2.9Å; V173-H176 VanDerWaalsContact O-N 3.13Å; V173-T177 PolarHBondContact O-N 2.99Å; V173-T177 PolarHBondContact O-OG1 2.73Å; V173-F203 HydrophobicContact CB-CE2 4.43Å; V173-F203 HydrophobicContact CG1-CE2 3.58Å; V173-F203 HydrophobicContact CG1-CZ 4.18Å; V173-F203 HydrophobicContact CG2-CD2 4.17Å; V173-F203 HydrophobicContact CG2-CE2 3.99Å
174	R	98.5	Very high	98.6	Very high	145 Å²	145	47.8 Å²	47.8	55%	0.547	24%	0.237	S	C	.	.	H	α-helix	trans	-63.4	-30.8	174.9	-81.4	174.4	172.4	171.2	1.3	113.4	L170 F172 H176	L170-R174 HydrophobicContact CD1-CG 4.13Å; L170-R174 WeakPolarHBondContact O-CB 3.49Å; L170-R174 VanDerWaalsContact O-CG 3.26Å; L170-R174 WeakPolarHBondContact O-CG 3.27Å; L170-R174 PolarHBondContact O-N 3.38Å; F172-R174 VanDerWaalsContact C-N 3.27Å; F172-R174 PolarHBondContact O-N 3.41Å; R174-H176 VanDerWaalsContact C-N 3.27Å
175	Q	98.2	Very high	98.6	Very high	130 Å²	130	43.1 Å²	43.1	61%	0.607	22%	0.215	S	C	*	.	H	α-helix	trans	-74.2	-22.8	176.8	-65.1	168.8	48.5	0	0	112	S171 F172 V173	S171-Q175 WeakPolarHBondContact O-CG 3.32Å; S171-Q175 PolarHBondContact O-N 3.48Å; S171-Q175 PolarHBondContact O-NE2 3.14Å; S171-Q175 VanDerWaalsContact O-NE2 3.14Å; F172-Q175 WeakPolarHBondContact O-CB 3.33Å; F172-Q175 PolarHBondContact O-N 3.44Å; F172-Q175 VanDerWaalsContact O-N 3.09Å; V173-Q175 VanDerWaalsContact C-N 3.27Å; V173-Q175 PolarHBondContact O-N 2.77Å
176	H	98.3	Very high	98.6	Very high	40 Å²	40	43.2 Å²	43.2	19%	0.185	22%	0.216	C	C	.	.	H	α-helix	trans	-116	-13.8	-169.7	-63.3	-62.5	0	0	0	114.9	R87 I112 F172 V173 R174	R87-H176 VanDerWaalsContact CD-O 3.26Å; R87-H176 WeakPolarHBondContact CD-O 3.41Å; R87-H176 PolarHBondContact NH1-O 2.94Å; I112-H176 HydrophobicContact CB-CB 4.41Å; I112-H176 HydrophobicContact CD1-CB 4.47Å; I112-H176 HydrophobicContact CG1-CB 3.82Å; I112-H176 HydrophobicContact CG2-CB 4.2Å; F172-H176 AromaticContact CD2-CD2 3.63Å; F172-H176 AromaticContact CD2-NE2 3.69Å; F172-H176 AromaticContact CE2-CD2 3.33Å; F172-H176 WeakPolarHBondContact CE2-CD2 3.26Å; F172-H176 AromaticContact CE2-NE2 3.29Å; F172-H176 VanDerWaalsContact CE2-NE2 3.29Å; F172-H176 WeakPolarHBondContact CE2-NE2 3.29Å; F172-H176 AromaticContact CZ-CD2 3.69Å; F172-H176 PolarHBondContact O-CD2 3.11Å; V173-H176 PolarHBondContact O-N 2.9Å; V173-H176 VanDerWaalsContact O-N 3.13Å; R174-H176 VanDerWaalsContact C-N 3.27Å
177	T	98.3	Very high	98.5	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.018	21%	0.214	C	C	.	.	S	Bend	trans	-140.4	140.7	-174.9	61.5	0	0	0	0	112.2	R87 V89 I112 V173 C182 H206	R87-T177 HydrophobicContact CB-CG2 4.38Å; V89-T177 HydrophobicContact CG2-CG2 3.84Å; I112-T177 HydrophobicContact CD1-CG2 4.24Å; I112-T177 HydrophobicContact CG2-CG2 4.47Å; V173-T177 PolarHBondContact O-N 2.99Å; V173-T177 PolarHBondContact O-OG1 2.73Å; T177-C182 HydrophobicContact CG2-CB 3.92Å; T177-H206 PolarHBondContact O-CE1 3.06Å; T177-H206 PolarHBondContact O-NE2 2.95Å; T177-H206 PolarHBondContact OG1-CD2 2.91Å; T177-H206 PolarHBondContact OG1-NE2 2.8Å
178	P	98.1	Very high	98.5	Very high	22 Å²	22	38.3 Å²	38.3	14%	0.143	21%	0.205	C	C	.	.			trans	-71.6	142.1	171.9	26.8	-27.4	0	0	0	110.3	M84 G180 Q181	M84-P178 HydrophobicContact CB-CG 4.39Å; P178-G180 PolarHBondContact O-N 3.24Å; P178-Q181 HydrophobicContact CB-CG 4.41Å; P178-Q181 HydrophobicContact CG-CB 4.02Å; P178-Q181 HydrophobicContact CG-CG 4.23Å; P178-Q181 PolarHBondContact O-N 2.89Å
179	P	98.2	Very high	98.5	Very high	94 Å²	94	34.2 Å²	34.2	61%	0.61	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	133.3	-175	25.4	-34.4	0	0	0	111.7	Q181	P179-Q181 VanDerWaalsContact C-N 3.33Å; P179-Q181 PolarHBondContact O-N 3.07Å
180	G	98	Very high	98.5	Very high	33 Å²	33	38.8 Å²	38.8	34%	0.34	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	8.2	173.7	0	0	0	0	0	115.5	P178 H206 H208	P178-G180 PolarHBondContact O-N 3.24Å; G180-H206 PolarHBondContact N-O 2.89Å; G180-H208 PolarHBondContact O-CD2 3.33Å; G180-H208 VanDerWaalsContact O-CD2 3.22Å
181	Q	98.1	Very high	98.5	Very high	86 Å²	86	39.8 Å²	39.8	40%	0.402	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-35.8	-172	-58.6	-172	38.9	0	0	114.1	P178 P179	P178-Q181 HydrophobicContact CB-CG 4.41Å; P178-Q181 HydrophobicContact CG-CB 4.02Å; P178-Q181 HydrophobicContact CG-CG 4.23Å; P178-Q181 PolarHBondContact O-N 2.89Å; P179-Q181 VanDerWaalsContact C-N 3.33Å; P179-Q181 PolarHBondContact O-N 3.07Å
182	C	98.7	Very high	98.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.206	C	C	.	.	S	Bend	trans	-88.7	128.3	-175.9	-65.4	0	0	0	0	111.5	M84 R87 V89 T177 H208	M84-C182 PolarHBondContact O-SG 3.25Å; R87-C182 WeakPolarHBondContact O-CB 3.19Å; R87-C182 PolarHBondContact O-SG 3.26Å; R87-C182 VanDerWaalsContact O-SG 3.33Å; V89-C182 HydrophobicContact CG2-CB 3.98Å; T177-C182 HydrophobicContact CG2-CB 3.92Å; C182-H208 PolarHBondContact O-N 3.05Å
183	P	98.8	Very high	98.5	Very high	22 Å²	22	39.1 Å²	39.1	14%	0.143	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	154.4	176.8	32.3	-35	0	0	0	112	V89 R210 I212	V89-P183 PolarHBondContact N-O 3.29Å; P183-R210 WeakPolarHBondContact CA-O 3.23Å; P183-R210 WeakPolarHBondContact CB-O 3.46Å; P183-I212 HydrophobicContact CB-CG1 4.32Å; P183-I212 HydrophobicContact CG-CD1 3.66Å; P183-I212 HydrophobicContact CG-CG1 3.92Å
184	L	98.9	Very high	98.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	140	166.3	-165.5	71.3	0	0	0	109.6	V89 V91 V189 K193 L196 F203 L207 I211 I212	V89-L184 CarbonylContact O-C 3.59Å; V89-L184 WeakPolarHBondContact O-CA 3.47Å; V91-L184 HydrophobicContact CB-CD1 3.82Å; V91-L184 HydrophobicContact CG2-CD1 3.57Å; L184-V189 HydrophobicContact CD2-CG2 3.61Å; L184-V189 HydrophobicContact CG-CG2 3.69Å; L184-K193 HydrophobicContact CD2-CB 3.89Å; L184-K193 HydrophobicContact CD2-CG 4.24Å; L184-L196 HydrophobicContact CD1-CD1 4.27Å; L184-L196 HydrophobicContact CD2-CD1 3.95Å; L184-F203 HydrophobicContact CD1-CE1 4.36Å; L184-L207 HydrophobicContact CB-CD1 4.35Å; L184-L207 HydrophobicContact CD1-CD1 3.72Å; L184-I211 HydrophobicContact CB-CG2 4.18Å; L184-I211 CarbonylContact O-C 3.5Å; L184-I211 VanDerWaalsContact O-CA 3.23Å; L184-I211 WeakPolarHBondContact O-CA 3.44Å; L184-I212 PolarHBondContact O-N 2.69Å
185	A	98.9	Very high	98.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	146.8	-177.9	0	0	0	0	0	111.7	M88 V89 W90 V91 I212	M88-A185 HydrophobicContact CB-CB 4.09Å; V89-A185 PolarHBondContact O-N 2.82Å; W90-A185 VanDerWaalsContact CA-O 3.27Å; W90-A185 WeakPolarHBondContact CA-O 3.31Å; W90-A185 HydrophobicContact CD2-CB 3.73Å; W90-A185 HydrophobicContact CE3-CB 4.09Å; W90-A185 HydrophobicContact CG-CB 4.04Å; W90-A185 HydrophobicContact CZ2-CB 4.17Å; W90-A185 HydrophobicContact CZ3-CB 4.49Å; V91-A185 PolarHBondContact N-O 3.01Å; A185-I212 WeakPolarHBondContact CA-O 3.47Å; A185-I212 HydrophobicContact CB-CB 4.05Å
186	G	98.6	Very high	98.5	Very high	2 Å²	2	34.5 Å²	34.5	2%	0.021	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.5	178.5	180	0	0	0	0	0	112.2	I212 D213 V214	G186-I212 PolarHBondContact N-O 2.9Å; G186-D213 WeakPolarHBondContact O-CA 3.39Å; G186-V214 PolarHBondContact O-N 3.24Å
187	N	98.3	Very high	98.5	Very high	18 Å²	18	36.1 Å²	36.1	10%	0.096	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	126.1	171.3	-87.6	103.9	0	0	0	110.3	V189 S215 K235 S248 E251	N187-V189 PolarHBondContact O-N 3.12Å; N187-V189 VanDerWaalsContact O-N 3.11Å; N187-S215 PolarHBondContact ND2-OG 3.48Å; N187-S215 VanDerWaalsContact ND2-OG 3.14Å; N187-K235 PolarHBondContact OD1-NZ 3.31Å; N187-S248 WeakPolarHBondContact OD1-CA 3.48Å; N187-S248 WeakPolarHBondContact OD1-CB 3.47Å; N187-S248 PolarHBondContact OD1-OG 3.3Å; N187-E251 PolarHBondContact ND2-OE2 2.89Å; N187-E251 PolarHBondContact OD1-OE2 2.9Å
188	S	98.1	Very high	98.5	Very high	52 Å²	52	39.8 Å²	39.8	36%	0.364	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	28.6	179.5	-53.6	0	0	0	0	112.6	H190 A191 D213 S215	S188-H190 PolarHBondContact O-N 2.92Å; S188-A191 WeakPolarHBondContact O-CB 3.19Å; S188-A191 PolarHBondContact O-N 3.43Å; S188-D213 WeakPolarHBondContact CA-OD1 3.32Å; S188-D213 PolarHBondContact N-OD1 3.02Å; S188-S215 PolarHBondContact N-OG 3.11Å; S188-S215 WeakPolarHBondContact OG-CB 3.38Å; S188-S215 PolarHBondContact OG-OG 3.01Å
189	V	98.6	Very high	98.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-8.3	-168.8	77.1	0	0	0	0	114.1	L184 N187 A191 D192 K193 I211 D213	L184-V189 HydrophobicContact CD2-CG2 3.61Å; L184-V189 HydrophobicContact CG-CG2 3.69Å; N187-V189 PolarHBondContact O-N 3.12Å; N187-V189 VanDerWaalsContact O-N 3.11Å; V189-A191 PolarHBondContact O-N 3.35Å; V189-D192 WeakPolarHBondContact CA-OD2 3.5Å; V189-D192 HydrophobicContact CG2-CB 4.16Å; V189-D192 PolarHBondContact O-N 3.28Å; V189-K193 VanDerWaalsContact O-CB 3.32Å; V189-K193 WeakPolarHBondContact O-CB 3.36Å; V189-K193 PolarHBondContact O-N 3.09Å; V189-I211 HydrophobicContact CG1-CB 3.87Å; V189-I211 HydrophobicContact CG1-CD1 4.03Å; V189-I211 HydrophobicContact CG1-CG1 4.38Å; V189-I211 HydrophobicContact CG1-CG2 4.32Å; V189-D213 HydrophobicContact CG1-CB 4.42Å
190	H	98.6	Very high	98.6	Very high	97 Å²	97	35.9 Å²	35.9	45%	0.449	18%	0.182	S	C	.	.	H	α-helix	trans	-62.7	-27.4	167	60.7	-95	0	0	0	112.6	S188 R194 I211 D213	S188-H190 PolarHBondContact O-N 2.92Å; H190-R194 WeakPolarHBondContact O-CG 3.31Å; H190-R194 PolarHBondContact O-N 3.22Å; H190-I211 HydrophobicContact CB-CD1 3.68Å; H190-D213 IonicContact CE1-OD2 3.25Å; H190-D213 IonicContact CG-OD2 3.31Å; H190-D213 IonicContact ND1-OD2 3.82Å; H190-D213 PolarHBondContact ND1-OD2 2.88Å
191	A	98.3	Very high	98.6	Very high	31 Å²	31	37.1 Å²	37.1	26%	0.256	19%	0.185	S	C	.	.	H	α-helix	trans	-69.5	-49.6	173.1	0	0	0	0	0	110.4	S188 V189 K193 R194 F195	S188-A191 WeakPolarHBondContact O-CB 3.19Å; S188-A191 PolarHBondContact O-N 3.43Å; V189-A191 PolarHBondContact O-N 3.35Å; A191-K193 VanDerWaalsContact C-N 3.33Å; A191-K193 PolarHBondContact O-N 3.36Å; A191-R194 WeakPolarHBondContact O-CB 3.45Å; A191-R194 PolarHBondContact O-N 3.06Å; A191-R194 VanDerWaalsContact O-N 3.11Å; A191-F195 PolarHBondContact O-N 3.4Å
192	D	98.6	Very high	98.7	Very high	9 Å²	9	38 Å²	38	5%	0.048	19%	0.189	C	C	.	.	H	α-helix	trans	-59.4	-46.5	176.6	-52.3	-47.4	0	0	0	111.2	L93 V189 R194 F195 L196	L93-D192 HydrophobicContact CD1-CB 3.95Å; L93-D192 HydrophobicContact CG-CB 3.97Å; V189-D192 WeakPolarHBondContact CA-OD2 3.5Å; V189-D192 HydrophobicContact CG2-CB 4.16Å; V189-D192 PolarHBondContact O-N 3.28Å; D192-R194 PolarHBondContact O-N 3.04Å; D192-R194 VanDerWaalsContact O-N 3.14Å; D192-F195 PolarHBondContact O-N 3.23Å; D192-L196 WeakPolarHBondContact O-CG 3.37Å; D192-L196 PolarHBondContact O-N 3.49Å
193	K	98.7	Very high	98.7	Very high	37 Å²	37	38 Å²	38	16%	0.161	19%	0.189	C	C	.	.	H	α-helix	trans	-53.9	-37.7	177.6	-166.6	-170.7	-176.6	-52.2	0	112.1	L184 V189 A191 F195 L196 D197 M204 I211	L184-K193 HydrophobicContact CD2-CB 3.89Å; L184-K193 HydrophobicContact CD2-CG 4.24Å; V189-K193 VanDerWaalsContact O-CB 3.32Å; V189-K193 WeakPolarHBondContact O-CB 3.36Å; V189-K193 PolarHBondContact O-N 3.09Å; A191-K193 VanDerWaalsContact C-N 3.33Å; A191-K193 PolarHBondContact O-N 3.36Å; K193-F195 VanDerWaalsContact C-N 3.35Å; K193-L196 PolarHBondContact O-N 2.68Å; K193-D197 IonicContact NZ-OD1 3.35Å; K193-D197 PolarHBondContact NZ-OD1 3.2Å; K193-D197 IonicContact NZ-OD2 2.73Å; K193-D197 PolarHBondContact NZ-OD2 3.08Å; K193-D197 VanDerWaalsContact O-CB 3.31Å; K193-D197 WeakPolarHBondContact O-CB 3.32Å; K193-D197 PolarHBondContact O-N 3.46Å; K193-M204 HydrophobicContact CD-CE 4.26Å; K193-M204 HydrophobicContact CG-CE 3.68Å; K193-I211 HydrophobicContact CD-CG2 3.79Å
194	R	98.6	Very high	98.7	Very high	173 Å²	173	37.8 Å²	37.8	65%	0.653	19%	0.186	S	C	*	.	H	α-helix	trans	-63.8	-40.6	178.4	-76.3	173.1	131.6	-160.5	-5.7	112.2	H190 A191 D192	H190-R194 WeakPolarHBondContact O-CG 3.31Å; H190-R194 PolarHBondContact O-N 3.22Å; A191-R194 WeakPolarHBondContact O-CB 3.45Å; A191-R194 PolarHBondContact O-N 3.06Å; A191-R194 VanDerWaalsContact O-N 3.11Å; D192-R194 PolarHBondContact O-N 3.04Å; D192-R194 VanDerWaalsContact O-N 3.14Å
195	F	98.9	Very high	98.7	Very high	5 Å²	5	47.2 Å²	47.2	2%	0.022	22%	0.223	C	C	.	.	H	α-helix	trans	-69.6	-45.9	174.6	-81.1	-100.1	0	0	0	110.8	L93 M95 V100 D103 I105 A191 D192 K193 D197 K198 Y199	L93-F195 HydrophobicContact CD1-CB 4Å; M95-F195 HydrophobicContact CB-CE1 4.18Å; M95-F195 HydrophobicContact CB-CZ 4.21Å; M95-F195 HydrophobicContact CE-CD2 4.02Å; M95-F195 HydrophobicContact CE-CE2 3.86Å; M95-F195 HydrophobicContact CE-CZ 4.44Å; M95-F195 HydrophobicContact CG-CD1 3.87Å; M95-F195 HydrophobicContact CG-CD2 4.22Å; M95-F195 HydrophobicContact CG-CE1 3.82Å; M95-F195 HydrophobicContact CG-CE2 4.18Å; M95-F195 HydrophobicContact CG-CG 4.08Å; M95-F195 HydrophobicContact CG-CZ 3.98Å; V100-F195 HydrophobicContact CB-CE2 4.44Å; V100-F195 HydrophobicContact CB-CZ 4.47Å; V100-F195 HydrophobicContact CG2-CD1 4.43Å; V100-F195 HydrophobicContact CG2-CD2 4.38Å; V100-F195 HydrophobicContact CG2-CG 4.32Å; D103-F195 HydrophobicContact CB-CE1 3.92Å; D103-F195 HydrophobicContact CB-CZ 3.93Å; D103-F195 WeakPolarHBondContact O-CE1 3.47Å; I105-F195 HydrophobicContact CD1-CB 4.15Å; I105-F195 HydrophobicContact CG1-CB 4.1Å; I105-F195 HydrophobicContact CG1-CD1 4.07Å; A191-F195 PolarHBondContact O-N 3.4Å; D192-F195 PolarHBondContact O-N 3.23Å; K193-F195 VanDerWaalsContact C-N 3.35Å; F195-D197 PolarHBondContact O-N 3.08Å; F195-K198 PolarHBondContact O-N 3.4Å; F195-K198 VanDerWaalsContact O-N 3.14Å; F195-Y199 HydrophobicContact CB-CD2 4.2Å; F195-Y199 AromaticContact CD1-CD2 3.76Å; F195-Y199 HydrophobicContact CD1-CD2 3.76Å; F195-Y199 AromaticContact CD1-CE2 3.59Å; F195-Y199 HydrophobicContact CD1-CE2 3.59Å; F195-Y199 HydrophobicContact CE1-CE2 4.07Å; F195-Y199 HydrophobicContact CG-CD2 4.39Å; F195-Y199 HydrophobicContact CG-CE2 4.47Å; F195-Y199 WeakPolarHBondContact O-CB 3.03Å; F195-Y199 WeakPolarHBondContact O-CD2 3.37Å; F195-Y199 PolarHBondContact O-N 3.11Å
196	L	98.8	Very high	98.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.6	-40.9	179.7	-64.1	168.8	0	0	0	112.6	V91 L93 I105 M108 L184 D192 K193 K198 M200 F203 M204	V91-L196 HydrophobicContact CG1-CD1 4.21Å; L93-L196 HydrophobicContact CD1-CD2 4.12Å; L93-L196 HydrophobicContact CD1-CG 4.01Å; L93-L196 HydrophobicContact CD2-CD2 4.38Å; I105-L196 HydrophobicContact CD1-CD2 4.45Å; M108-L196 HydrophobicContact CE-CD2 4Å; M108-L196 HydrophobicContact SD-CD2 4.01Å; L184-L196 HydrophobicContact CD1-CD1 4.27Å; L184-L196 HydrophobicContact CD2-CD1 3.95Å; D192-L196 WeakPolarHBondContact O-CG 3.37Å; D192-L196 PolarHBondContact O-N 3.49Å; K193-L196 PolarHBondContact O-N 2.68Å; L196-K198 PolarHBondContact O-N 3.23Å; L196-M200 HydrophobicContact CD2-CB 4.06Å; L196-M200 HydrophobicContact CD2-CG 4.23Å; L196-M200 HydrophobicContact CD2-SD 3.9Å; L196-M200 CarbonylContact O-C 3.57Å; L196-M200 VanDerWaalsContact O-CA 3.31Å; L196-M200 WeakPolarHBondContact O-CA 3.46Å; L196-M200 PolarHBondContact O-N 3.03Å; L196-M200 VanDerWaalsContact O-O 3.1Å; L196-F203 HydrophobicContact CD1-CD1 4.4Å; L196-F203 HydrophobicContact CD1-CE1 4.11Å; L196-F203 HydrophobicContact CD2-CD1 4.3Å; L196-M204 HydrophobicContact CB-CG 3.52Å; L196-M204 HydrophobicContact CB-SD 3.57Å; L196-M204 VanDerWaalsContact CB-SD 3.57Å; L196-M204 HydrophobicContact CD1-SD 3.91Å; L196-M204 HydrophobicContact CG-SD 4.38Å
197	D	98.8	Very high	98.7	Very high	74 Å²	74	48.2 Å²	48.2	40%	0.396	23%	0.227	S	C	.	.	H	α-helix	trans	-59	-31.5	177.3	-77.1	-19.5	0	0	0	111.9	K193 F195	K193-D197 IonicContact NZ-OD1 3.35Å; K193-D197 PolarHBondContact NZ-OD1 3.2Å; K193-D197 IonicContact NZ-OD2 2.73Å; K193-D197 PolarHBondContact NZ-OD2 3.08Å; K193-D197 VanDerWaalsContact O-CB 3.31Å; K193-D197 WeakPolarHBondContact O-CB 3.32Å; K193-D197 PolarHBondContact O-N 3.46Å; F195-D197 PolarHBondContact O-N 3.08Å
198	K	98.7	Very high	98.7	Very high	81 Å²	81	49.8 Å²	49.8	35%	0.352	23%	0.234	S	C	.	.	H	α-helix	trans	-89.4	-48.1	-179.7	-175.1	174.5	-173.9	169.1	0	112.9	V100 E101 F195 L196	V100-K198 HydrophobicContact CG2-CB 4.32Å; V100-K198 HydrophobicContact CG2-CD 3.84Å; V100-K198 WeakPolarHBondContact O-CD 3.44Å; V100-K198 PolarHBondContact O-NZ 3.37Å; E101-K198 IonicContact OE1-NZ 2.64Å; E101-K198 PolarHBondContact OE1-NZ 3.44Å; E101-K198 IonicContact OE2-NZ 2.72Å; E101-K198 PolarHBondContact OE2-NZ 3.42Å; F195-K198 PolarHBondContact O-N 3.4Å; F195-K198 VanDerWaalsContact O-N 3.14Å; L196-K198 PolarHBondContact O-N 3.23Å
199	Y	98.8	Very high	98.7	Very high	33 Å²	33	55.1 Å²	55.1	13%	0.129	25%	0.247	C	C	.	.	H	α-helix	trans	-101.1	-21.7	-166.3	-65.5	-60.2	0	0	0	113.6	V100 D103 Q104 I105 L162 F195 P201	V100-Y199 HydrophobicContact CG2-CE2 4.2Å; V100-Y199 PolarHBondContact O-OH 3.35Å; D103-Y199 WeakPolarHBondContact O-CE2 3.42Å; D103-Y199 PolarHBondContact O-OH 2.94Å; Q104-Y199 PolarHBondContact NE2-OH 3.19Å; I105-Y199 HydrophobicContact CD1-CD2 4.45Å; I105-Y199 HydrophobicContact CG1-CD2 4.38Å; L162-Y199 HydrophobicContact CD2-CD1 4.25Å; F195-Y199 HydrophobicContact CB-CD2 4.2Å; F195-Y199 AromaticContact CD1-CD2 3.76Å; F195-Y199 HydrophobicContact CD1-CD2 3.76Å; F195-Y199 AromaticContact CD1-CE2 3.59Å; F195-Y199 HydrophobicContact CD1-CE2 3.59Å; F195-Y199 HydrophobicContact CE1-CE2 4.07Å; F195-Y199 HydrophobicContact CG-CD2 4.39Å; F195-Y199 HydrophobicContact CG-CE2 4.47Å; F195-Y199 WeakPolarHBondContact O-CB 3.03Å; F195-Y199 WeakPolarHBondContact O-CD2 3.37Å; F195-Y199 PolarHBondContact O-N 3.11Å; Y199-P201 VanDerWaalsContact C-CD 3.47Å
200	M	98.8	Very high	98.7	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	28%	0.275	C	S	.	.			trans	-132.6	59.2	176.2	-61.5	-165.7	178	0	0	111.7	I105 M108 I128 L162 A165 E166 L196 Q202 F203 M204	I105-M200 HydrophobicContact CD1-CE 4.38Å; I105-M200 HydrophobicContact CD1-CG 4.48Å; M108-M200 HydrophobicContact CE-SD 4.4Å; M108-M200 HydrophobicContact SD-CE 3.94Å; M108-M200 HydrophobicContact SD-SD 3.61Å; M108-M200 VanDerWaalsContact SD-SD 3.61Å; I128-M200 HydrophobicContact CD1-CE 3.8Å; L162-M200 HydrophobicContact CD1-CE 3.59Å; L162-M200 HydrophobicContact CD1-CG 4.36Å; A165-M200 HydrophobicContact CB-CE 4.01Å; E166-M200 HydrophobicContact CB-CB 4.34Å; E166-M200 HydrophobicContact CB-CE 4.48Å; E166-M200 HydrophobicContact CB-CG 3.96Å; E166-M200 HydrophobicContact CB-SD 4.08Å; E166-M200 HydrophobicContact CG-CB 3.93Å; E166-M200 HydrophobicContact CG-CG 4.12Å; E166-M200 HydrophobicContact CG-SD 4.47Å; E166-M200 WeakPolarHBondContact OE1-CA 3.42Å; L196-M200 HydrophobicContact CD2-CB 4.06Å; L196-M200 HydrophobicContact CD2-CG 4.23Å; L196-M200 HydrophobicContact CD2-SD 3.9Å; L196-M200 CarbonylContact O-C 3.57Å; L196-M200 VanDerWaalsContact O-CA 3.31Å; L196-M200 WeakPolarHBondContact O-CA 3.46Å; L196-M200 PolarHBondContact O-N 3.03Å; L196-M200 VanDerWaalsContact O-O 3.1Å; M200-Q202 VanDerWaalsContact C-N 3.33Å; M200-Q202 PolarHBondContact O-N 3.2Å; M200-F203 HydrophobicContact CB-CB 4Å; M200-F203 WeakPolarHBondContact O-CB 3.25Å; M200-F203 PolarHBondContact O-N 2.85Å; M200-M204 PolarHBondContact O-N 2.97Å; M200-M204 VanDerWaalsContact O-N 3.11Å
201	P	98.8	Very high	98.7	Very high	59 Å²	59	60.7 Å²	60.7	38%	0.383	27%	0.268	S	S	.	.	H	α-helix	trans	-66.6	-29.1	-172.4	28	-36	0	0	0	113.9	E166 Y199 M204 Y205	E166-P201 VanDerWaalsContact OE1-N 3.13Å; Y199-P201 VanDerWaalsContact C-CD 3.47Å; P201-M204 PolarHBondContact O-N 3.32Å; P201-Y205 WeakPolarHBondContact O-CB 3.25Å; P201-Y205 PolarHBondContact O-N 3.36Å
202	Q	98.8	Very high	98.7	Very high	106 Å²	106	61.4 Å²	61.4	50%	0.495	27%	0.267	S	S	.	.	H	α-helix	trans	-72.6	-37	177.3	-59.3	-58.8	-48.6	0	0	111.1	E166 L170 M200 Y205 H206	E166-Q202 WeakPolarHBondContact OE1-CA 3.48Å; E166-Q202 VanDerWaalsContact OE1-CB 3.31Å; E166-Q202 WeakPolarHBondContact OE1-CB 3.32Å; E166-Q202 PolarHBondContact OE1-N 3.42Å; L170-Q202 HydrophobicContact CD2-CB 3.84Å; M200-Q202 VanDerWaalsContact C-N 3.33Å; M200-Q202 PolarHBondContact O-N 3.2Å; Q202-Y205 PolarHBondContact O-N 3.18Å; Q202-H206 PolarHBondContact O-N 2.9Å
203	F	98.8	Very high	98.7	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-58.3	-50.8	169.8	177.8	-96.7	0	0	0	110.8	V89 V91 M108 E166 F169 V173 L184 L196 M200 Y205 H206 L207	V89-F203 HydrophobicContact CG1-CZ 4.14Å; V91-F203 HydrophobicContact CG2-CE1 4.35Å; V91-F203 HydrophobicContact CG2-CZ 4.02Å; M108-F203 HydrophobicContact CE-CD1 4.49Å; M108-F203 HydrophobicContact CE-CE1 4.02Å; M108-F203 HydrophobicContact CE-CE2 4.2Å; M108-F203 HydrophobicContact CE-CZ 3.86Å; E166-F203 HydrophobicContact CG-CB 4.23Å; E166-F203 PolarHBondContact OE1-N 3.48Å; F169-F203 HydrophobicContact CB-CD2 3.81Å; F169-F203 HydrophobicContact CB-CE2 3.84Å; V173-F203 HydrophobicContact CB-CE2 4.43Å; V173-F203 HydrophobicContact CG1-CE2 3.58Å; V173-F203 HydrophobicContact CG1-CZ 4.18Å; V173-F203 HydrophobicContact CG2-CD2 4.17Å; V173-F203 HydrophobicContact CG2-CE2 3.99Å; L184-F203 HydrophobicContact CD1-CE1 4.36Å; L196-F203 HydrophobicContact CD1-CD1 4.4Å; L196-F203 HydrophobicContact CD1-CE1 4.11Å; L196-F203 HydrophobicContact CD2-CD1 4.3Å; M200-F203 HydrophobicContact CB-CB 4Å; M200-F203 WeakPolarHBondContact O-CB 3.25Å; M200-F203 PolarHBondContact O-N 2.85Å; F203-Y205 VanDerWaalsContact C-N 3.34Å; F203-Y205 PolarHBondContact O-N 2.76Å; F203-H206 WeakPolarHBondContact O-CB 3.34Å; F203-H206 PolarHBondContact O-N 2.9Å; F203-H206 VanDerWaalsContact O-N 3.16Å; F203-L207 HydrophobicContact CD1-CD1 4.17Å; F203-L207 HydrophobicContact CE1-CD1 3.53Å; F203-L207 HydrophobicContact CE1-CG 4.45Å; F203-L207 HydrophobicContact CZ-CD1 3.92Å
204	M	98.8	Very high	98.7	Very high	17 Å²	17	60 Å²	60	8%	0.084	26%	0.262	C	S	.	.	H	α-helix	trans	-65.8	-32.2	-179.7	-72.3	-54.1	-54.4	0	0	113.8	K193 L196 M200 P201 H206 L207	K193-M204 HydrophobicContact CD-CE 4.26Å; K193-M204 HydrophobicContact CG-CE 3.68Å; L196-M204 HydrophobicContact CB-CG 3.52Å; L196-M204 HydrophobicContact CB-SD 3.57Å; L196-M204 VanDerWaalsContact CB-SD 3.57Å; L196-M204 HydrophobicContact CD1-SD 3.91Å; L196-M204 HydrophobicContact CG-SD 4.38Å; M200-M204 PolarHBondContact O-N 2.97Å; M200-M204 VanDerWaalsContact O-N 3.11Å; P201-M204 PolarHBondContact O-N 3.32Å; M204-H206 PolarHBondContact O-N 2.88Å; M204-L207 PolarHBondContact O-N 2.88Å; M204-L207 HydrophobicContact SD-CD1 4.16Å
205	Y	98.6	Very high	98.7	Very high	197 Å²	197	52.7 Å²	52.7	77%	0.773	24%	0.237	S	C	*	.	H	α-helix	trans	-62	-27.7	175.7	-172.1	-96.8	0	0	0	112.8	P201 Q202 F203 L207	P201-Y205 WeakPolarHBondContact O-CB 3.25Å; P201-Y205 PolarHBondContact O-N 3.36Å; Q202-Y205 PolarHBondContact O-N 3.18Å; F203-Y205 VanDerWaalsContact C-N 3.34Å; F203-Y205 PolarHBondContact O-N 2.76Å; Y205-L207 VanDerWaalsContact C-N 3.32Å
206	H	98.8	Very high	98.7	Very high	13 Å²	13	56.3 Å²	56.3	6%	0.06	26%	0.259	C	S	.	.	H	α-helix	trans	-76	-20.1	175.2	-170.6	82.4	0	0	0	112.8	L170 T177 G180 Q202 F203 M204	L170-H206 HydrophobicContact CD1-CB 3.85Å; T177-H206 PolarHBondContact O-CE1 3.06Å; T177-H206 PolarHBondContact O-NE2 2.95Å; T177-H206 PolarHBondContact OG1-CD2 2.91Å; T177-H206 PolarHBondContact OG1-NE2 2.8Å; G180-H206 PolarHBondContact N-O 2.89Å; Q202-H206 PolarHBondContact O-N 2.9Å; F203-H206 WeakPolarHBondContact O-CB 3.34Å; F203-H206 PolarHBondContact O-N 2.9Å; F203-H206 VanDerWaalsContact O-N 3.16Å; M204-H206 PolarHBondContact O-N 2.88Å
207	L	98.8	Very high	98.7	Very high	10 Å²	10	57.7 Å²	57.7	5%	0.052	27%	0.267	C	S	.	.	S	Bend	trans	-95.9	160.1	-175.7	-56.3	-172.6	0	0	0	112.4	V89 L184 F203 M204 Y205	V89-L207 HydrophobicContact CB-CD1 4.43Å; V89-L207 HydrophobicContact CB-CD2 4.1Å; V89-L207 HydrophobicContact CG1-CD1 4.28Å; V89-L207 HydrophobicContact CG1-CD2 4.21Å; V89-L207 HydrophobicContact CG2-CD2 3.65Å; L184-L207 HydrophobicContact CB-CD1 4.35Å; L184-L207 HydrophobicContact CD1-CD1 3.72Å; F203-L207 HydrophobicContact CD1-CD1 4.17Å; F203-L207 HydrophobicContact CE1-CD1 3.53Å; F203-L207 HydrophobicContact CE1-CG 4.45Å; F203-L207 HydrophobicContact CZ-CD1 3.92Å; M204-L207 PolarHBondContact O-N 2.88Å; M204-L207 HydrophobicContact SD-CD1 4.16Å; Y205-L207 VanDerWaalsContact C-N 3.32Å
208	H	98.7	Very high	98.7	Very high	51 Å²	51	57.3 Å²	57.3	24%	0.236	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	150.4	171.6	-168.9	-88.6	0	0	0	110.7	G180 C182 R210	G180-H208 PolarHBondContact O-CD2 3.33Å; G180-H208 VanDerWaalsContact O-CD2 3.22Å; C182-H208 PolarHBondContact O-N 3.05Å; H208-R210 WeakPolarHBondContact ND1-CB 3.35Å; H208-R210 PolarHBondContact ND1-N 2.81Å; H208-R210 VanDerWaalsContact ND1-N 3.15Å; H208-R210 PolarHBondContact O-N 2.92Å
209	Y	98.3	Very high	98.7	Very high	165 Å²	165	56.7 Å²	56.7	65%	0.647	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.3	-18	-177.2	77.4	-89.2	0	0	0	114.7
210	R	98.8	Very high	98.7	Very high	155 Å²	155	58.2 Å²	58.2	59%	0.585	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.1	157.2	179.2	-70	178.3	-176.2	-178.4	-2.5	110.1	P183 H208	P183-R210 WeakPolarHBondContact CA-O 3.23Å; P183-R210 WeakPolarHBondContact CB-O 3.46Å; H208-R210 WeakPolarHBondContact ND1-CB 3.35Å; H208-R210 PolarHBondContact ND1-N 2.81Å; H208-R210 VanDerWaalsContact ND1-N 3.15Å; H208-R210 PolarHBondContact O-N 2.92Å
211	I	98.9	Very high	98.7	Very high	58 Å²	58	58.2 Å²	58.2	30%	0.297	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	154.9	173.8	65.7	177.8	0	0	0	110.9	L184 V189 H190 K193 D213	L184-I211 HydrophobicContact CB-CG2 4.18Å; L184-I211 CarbonylContact O-C 3.5Å; L184-I211 VanDerWaalsContact O-CA 3.23Å; L184-I211 WeakPolarHBondContact O-CA 3.44Å; V189-I211 HydrophobicContact CG1-CB 3.87Å; V189-I211 HydrophobicContact CG1-CD1 4.03Å; V189-I211 HydrophobicContact CG1-CG1 4.38Å; V189-I211 HydrophobicContact CG1-CG2 4.32Å; H190-I211 HydrophobicContact CB-CD1 3.68Å; K193-I211 HydrophobicContact CD-CG2 3.79Å; I211-D213 HydrophobicContact CD1-CB 4.16Å; I211-D213 HydrophobicContact CG1-CB 4.42Å
212	I	98.9	Very high	98.6	Very high	46 Å²	46	60.2 Å²	60.2	24%	0.236	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	96.6	166.3	-61.8	175.9	0	0	0	106.8	M88 P183 L184 A185 G186 L252	M88-I212 HydrophobicContact CE-CD1 3.76Å; M88-I212 HydrophobicContact CG-CD1 3.73Å; M88-I212 HydrophobicContact SD-CD1 3.51Å; M88-I212 VanDerWaalsContact SD-CD1 3.51Å; P183-I212 HydrophobicContact CB-CG1 4.32Å; P183-I212 HydrophobicContact CG-CD1 3.66Å; P183-I212 HydrophobicContact CG-CG1 3.92Å; L184-I212 PolarHBondContact O-N 2.69Å; A185-I212 WeakPolarHBondContact CA-O 3.47Å; A185-I212 HydrophobicContact CB-CB 4.05Å; G186-I212 PolarHBondContact N-O 2.9Å; I212-L252 HydrophobicContact CG2-CD2 4.25Å
213	D	98.8	Very high	98.6	Very high	17 Å²	17	61.8 Å²	61.8	9%	0.091	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	107.8	-177.4	-168.6	-26.5	0	0	0	110.6	G186 S188 V189 H190 I211 S215 T216	G186-D213 WeakPolarHBondContact O-CA 3.39Å; S188-D213 WeakPolarHBondContact CA-OD1 3.32Å; S188-D213 PolarHBondContact N-OD1 3.02Å; V189-D213 HydrophobicContact CG1-CB 4.42Å; H190-D213 IonicContact CE1-OD2 3.25Å; H190-D213 IonicContact CG-OD2 3.31Å; H190-D213 IonicContact ND1-OD2 3.82Å; H190-D213 PolarHBondContact ND1-OD2 2.88Å; I211-D213 HydrophobicContact CD1-CB 4.16Å; I211-D213 HydrophobicContact CG1-CB 4.42Å; D213-S215 PolarHBondContact O-N 2.93Å; D213-S215 WeakPolarHBondContact OD1-CA 3.49Å; D213-S215 VanDerWaalsContact OD1-CB 3.23Å; D213-S215 WeakPolarHBondContact OD1-CB 3.36Å; D213-S215 PolarHBondContact OD1-N 3.14Å; D213-T216 VanDerWaalsContact O-CB 3.29Å; D213-T216 WeakPolarHBondContact O-CB 3.41Å; D213-T216 PolarHBondContact O-N 3.11Å; D213-T216 VanDerWaalsContact O-N 3.08Å
214	V	98.6	Very high	98.6	Very high	0 Å²	0	70 Å²	70	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-61.2	-33	179.6	-177.7	0	0	0	0	111.1	W90 G186 T216 I217 K218 E251 L252 Y255	W90-V214 HydrophobicContact CH2-CG2 3.9Å; W90-V214 HydrophobicContact CZ3-CG2 3.82Å; G186-V214 PolarHBondContact O-N 3.24Å; V214-T216 PolarHBondContact O-N 3.43Å; V214-I217 PolarHBondContact O-N 2.93Å; V214-I217 VanDerWaalsContact O-N 3.08Å; V214-K218 PolarHBondContact O-N 3.46Å; V214-E251 HydrophobicContact CG1-CB 4.26Å; V214-E251 HydrophobicContact CG1-CG 3.99Å; V214-L252 HydrophobicContact CG1-CB 4.17Å; V214-L252 HydrophobicContact CG2-CB 3.98Å; V214-L252 HydrophobicContact CG2-CD1 4.49Å; V214-L252 HydrophobicContact CG2-CD2 4.21Å; V214-L252 HydrophobicContact CG2-CG 4.45Å; V214-Y255 HydrophobicContact CG1-CD2 4.39Å; V214-Y255 HydrophobicContact CG1-CE2 4.18Å
215	S	98.4	Very high	98.6	Very high	20 Å²	20	72.5 Å²	72.5	14%	0.14	31%	0.313	C	S	.	.	H	α-helix	trans	-66.8	-25.8	178.4	-60.9	0	0	0	0	112.3	N187 S188 D213 K218 E219	N187-S215 PolarHBondContact ND2-OG 3.48Å; N187-S215 VanDerWaalsContact ND2-OG 3.14Å; S188-S215 PolarHBondContact N-OG 3.11Å; S188-S215 WeakPolarHBondContact OG-CB 3.38Å; S188-S215 PolarHBondContact OG-OG 3.01Å; D213-S215 PolarHBondContact O-N 2.93Å; D213-S215 WeakPolarHBondContact OD1-CA 3.49Å; D213-S215 VanDerWaalsContact OD1-CB 3.23Å; D213-S215 WeakPolarHBondContact OD1-CB 3.36Å; D213-S215 PolarHBondContact OD1-N 3.14Å; S215-K218 WeakPolarHBondContact O-CB 3.12Å; S215-E219 WeakPolarHBondContact O-CB 3.1Å; S215-E219 WeakPolarHBondContact O-CG 3.41Å; S215-E219 PolarHBondContact O-N 2.91Å
216	T	98.8	Very high	98.5	Very high	80 Å²	80	66 Å²	66	49%	0.491	30%	0.295	S	S	.	.	H	α-helix	trans	-62.5	-48.2	170.4	-66.7	0	0	0	0	110.3	D213 V214 E219 L220	D213-T216 VanDerWaalsContact O-CB 3.29Å; D213-T216 WeakPolarHBondContact O-CB 3.41Å; D213-T216 PolarHBondContact O-N 3.11Å; D213-T216 VanDerWaalsContact O-N 3.08Å; V214-T216 PolarHBondContact O-N 3.43Å; T216-E219 PolarHBondContact O-N 3.05Å; T216-L220 WeakPolarHBondContact O-CG 3.27Å; T216-L220 PolarHBondContact O-N 3.25Å; T216-L220 VanDerWaalsContact O-N 3.1Å
217	I	98.6	Very high	98.5	Very high	30 Å²	30	70.8 Å²	70.8	15%	0.154	32%	0.317	C	S	.	.	H	α-helix	trans	-67.5	-40.1	-179.7	-62.8	169.2	0	0	0	110.5	V214 E219 L220 C221 L252 Y255 I259 F260	V214-I217 PolarHBondContact O-N 2.93Å; V214-I217 VanDerWaalsContact O-N 3.08Å; I217-E219 VanDerWaalsContact C-N 3.32Å; I217-E219 PolarHBondContact O-N 3.34Å; I217-L220 PolarHBondContact O-N 3.31Å; I217-C221 WeakPolarHBondContact O-CB 3.43Å; I217-C221 PolarHBondContact O-N 2.93Å; I217-L252 HydrophobicContact CD1-CD1 3.39Å; I217-Y255 HydrophobicContact CB-CD2 4.14Å; I217-Y255 HydrophobicContact CG2-CD2 3.57Å; I217-Y255 HydrophobicContact CG2-CE2 4.35Å; I217-Y255 HydrophobicContact CG2-CG 3.72Å; I217-I259 HydrophobicContact CG2-CD1 3.94Å; I217-F260 HydrophobicContact CD1-CE2 4.46Å; I217-F260 HydrophobicContact CD1-CZ 4.19Å; I217-F260 HydrophobicContact CG2-CE2 4.03Å; I217-F260 HydrophobicContact CG2-CZ 4.4Å
218	K	98.3	Very high	98.4	Very high	65 Å²	65	73.7 Å²	73.7	28%	0.283	33%	0.33	S	S	.	.	H	α-helix	trans	-52.8	-48.3	172.1	178.1	179.4	-168.8	148.2	0	112.4	V214 S215 L220 C221 R222 F229 E251 Y255	V214-K218 PolarHBondContact O-N 3.46Å; S215-K218 WeakPolarHBondContact O-CB 3.12Å; K218-L220 PolarHBondContact O-N 3.05Å; K218-C221 WeakPolarHBondContact O-CB 3.29Å; K218-C221 PolarHBondContact O-N 3.28Å; K218-R222 WeakPolarHBondContact O-CB 3.32Å; K218-R222 PolarHBondContact O-N 2.82Å; K218-F229 HydrophobicContact CG-CE2 3.87Å; K218-E251 WeakPolarHBondContact CD-OE1 3.48Å; K218-E251 IonicContact NZ-OE1 2.68Å; K218-E251 PolarHBondContact NZ-OE1 2.66Å; K218-Y255 HydrophobicContact CB-CE2 3.92Å; K218-Y255 WeakPolarHBondContact CB-OH 3.1Å; K218-Y255 WeakPolarHBondContact CG-OH 3.43Å
219	E	98.7	Very high	98.3	Very high	69 Å²	69	74.1 Å²	74.1	32%	0.322	33%	0.332	S	S	.	.	H	α-helix	trans	-69	-32.5	-179.5	-77.7	-68.8	106.4	0	0	113	S215 T216 I217 R222 R223	S215-E219 WeakPolarHBondContact O-CB 3.1Å; S215-E219 WeakPolarHBondContact O-CG 3.41Å; S215-E219 PolarHBondContact O-N 2.91Å; T216-E219 PolarHBondContact O-N 3.05Å; I217-E219 VanDerWaalsContact C-N 3.32Å; I217-E219 PolarHBondContact O-N 3.34Å; E219-R222 VanDerWaalsContact CD-NH2 3.31Å; E219-R222 IonicContact OE1-CZ 3.12Å; E219-R222 IonicContact OE1-NE 2.78Å; E219-R222 PolarHBondContact OE1-NE 3.23Å; E219-R222 IonicContact OE1-NH2 2.89Å; E219-R222 PolarHBondContact OE1-NH2 3.26Å; E219-R222 VanDerWaalsContact OE1-NH2 3.12Å; E219-R222 IonicContact OE2-CZ 3.4Å; E219-R222 IonicContact OE2-NE 2.82Å; E219-R222 IonicContact OE2-NH2 3.99Å; E219-R222 PolarHBondContact OE2-NH2 2.68Å; E219-R223 PolarHBondContact O-N 3.15Å; E219-R223 PolarHBondContact O-NH1 3.47Å; E219-R223 IonicContact OE1-NH1 2.68Å; E219-R223 IonicContact OE2-CZ 3.54Å; E219-R223 VanDerWaalsContact OE2-CZ 3.31Å; E219-R223 IonicContact OE2-NH1 2.66Å; E219-R223 PolarHBondContact OE2-NH1 3.01Å; E219-R223 IonicContact OE2-NH2 3.68Å; E219-R223 PolarHBondContact OE2-NH2 2.79Å
220	L	98.7	Very high	98.2	Very high	64 Å²	64	72.4 Å²	72.4	34%	0.335	33%	0.328	S	S	.	.	H	α-helix	trans	-69.2	-46.2	171.1	-65.2	-179.2	0	0	0	111.3	T216 I217 K218 R222 R223 W224	T216-L220 WeakPolarHBondContact O-CG 3.27Å; T216-L220 PolarHBondContact O-N 3.25Å; T216-L220 VanDerWaalsContact O-N 3.1Å; I217-L220 PolarHBondContact O-N 3.31Å; K218-L220 PolarHBondContact O-N 3.05Å; L220-R222 VanDerWaalsContact C-N 3.31Å; L220-R222 PolarHBondContact O-N 3.22Å; L220-R223 PolarHBondContact O-N 3.48Å; L220-R223 VanDerWaalsContact O-N 3.11Å; L220-W224 HydrophobicContact CB-CD2 4.45Å; L220-W224 HydrophobicContact CB-CE3 4.07Å; L220-W224 HydrophobicContact CB-CZ3 4.2Å; L220-W224 HydrophobicContact CD1-CH2 4.18Å; L220-W224 HydrophobicContact CD1-CZ3 3.96Å; L220-W224 HydrophobicContact CD2-CD2 4.43Å; L220-W224 HydrophobicContact CD2-CE3 4.34Å; L220-W224 HydrophobicContact CD2-CH2 3.61Å; L220-W224 HydrophobicContact CD2-CZ2 3.68Å; L220-W224 HydrophobicContact CD2-CZ3 3.95Å; L220-W224 HydrophobicContact CG-CH2 4.36Å; L220-W224 HydrophobicContact CG-CZ3 4.25Å; L220-W224 WeakPolarHBondContact O-CB 3.43Å; L220-W224 PolarHBondContact O-N 3.01Å
221	C	98.4	Very high	98.1	Very high	0 Å²	0	72 Å²	72	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-54.7	-48.4	175.2	-170.3	0	0	0	0	110.7	I217 K218 R223 W224 F225 F229 Y255 I259	I217-C221 WeakPolarHBondContact O-CB 3.43Å; I217-C221 PolarHBondContact O-N 2.93Å; K218-C221 WeakPolarHBondContact O-CB 3.29Å; K218-C221 PolarHBondContact O-N 3.28Å; C221-R223 PolarHBondContact O-N 2.89Å; C221-R223 VanDerWaalsContact O-N 3.13Å; C221-W224 PolarHBondContact O-N 3.09Å; C221-F225 CarbonylContact O-C 3.56Å; C221-F225 VanDerWaalsContact O-CA 3.26Å; C221-F225 WeakPolarHBondContact O-CA 3.45Å; C221-F225 PolarHBondContact O-N 3.08Å; C221-F229 HydrophobicContact CB-CD2 4.37Å; C221-Y255 HydrophobicContact CB-CD1 4.17Å; C221-Y255 HydrophobicContact CB-CE1 3.92Å; C221-I259 HydrophobicContact CB-CD1 3.9Å
222	R	98.1	Very high	97.8	Very high	102 Å²	102	69.9 Å²	69.9	39%	0.385	33%	0.325	S	S	.	.	H	α-helix	trans	-56.7	-31.4	179.2	-172.1	170.2	65	83.2	-13.1	113.9	K218 E219 L220 F229	K218-R222 WeakPolarHBondContact O-CB 3.32Å; K218-R222 PolarHBondContact O-N 2.82Å; E219-R222 VanDerWaalsContact CD-NH2 3.31Å; E219-R222 IonicContact OE1-CZ 3.12Å; E219-R222 IonicContact OE1-NE 2.78Å; E219-R222 PolarHBondContact OE1-NE 3.23Å; E219-R222 IonicContact OE1-NH2 2.89Å; E219-R222 PolarHBondContact OE1-NH2 3.26Å; E219-R222 VanDerWaalsContact OE1-NH2 3.12Å; E219-R222 IonicContact OE2-CZ 3.4Å; E219-R222 IonicContact OE2-NE 2.82Å; E219-R222 IonicContact OE2-NH2 3.99Å; E219-R222 PolarHBondContact OE2-NH2 2.68Å; L220-R222 VanDerWaalsContact C-N 3.31Å; L220-R222 PolarHBondContact O-N 3.22Å; R222-F229 HydrophobicContact CB-CD1 4.37Å; R222-F229 HydrophobicContact CB-CD2 3.76Å; R222-F229 HydrophobicContact CB-CE1 4.44Å; R222-F229 HydrophobicContact CB-CE2 3.84Å; R222-F229 HydrophobicContact CB-CG 4.04Å; R222-F229 HydrophobicContact CB-CZ 4.19Å; R222-F229 HydrophobicContact CG-CD1 4.12Å; R222-F229 HydrophobicContact CG-CD2 4.36Å; R222-F229 HydrophobicContact CG-CE1 4.01Å; R222-F229 HydrophobicContact CG-CE2 4.24Å; R222-F229 HydrophobicContact CG-CG 4.3Å; R222-F229 HydrophobicContact CG-CZ 4.07Å
223	R	98.6	Very high	97.4	Very high	138 Å²	138	70.7 Å²	70.7	52%	0.521	33%	0.334	S	S	.	.	H	α-helix	trans	-93.6	-38.8	-177.3	-73.9	169.6	-179	71.5	-5.2	113.2	E219 L220 C221	E219-R223 PolarHBondContact O-N 3.15Å; E219-R223 PolarHBondContact O-NH1 3.47Å; E219-R223 IonicContact OE1-NH1 2.68Å; E219-R223 IonicContact OE2-CZ 3.54Å; E219-R223 VanDerWaalsContact OE2-CZ 3.31Å; E219-R223 IonicContact OE2-NH1 2.66Å; E219-R223 PolarHBondContact OE2-NH1 3.01Å; E219-R223 IonicContact OE2-NH2 3.68Å; E219-R223 PolarHBondContact OE2-NH2 2.79Å; L220-R223 PolarHBondContact O-N 3.48Å; L220-R223 VanDerWaalsContact O-N 3.11Å; C221-R223 PolarHBondContact O-N 2.89Å; C221-R223 VanDerWaalsContact O-N 3.13Å
224	W	98.5	Very high	96.8	Very high	173 Å²	173	78.2 Å²	78.2	66%	0.655	37%	0.368	S	S	*	.	H	α-helix	trans	-101.3	-24.3	-170.3	-58.7	-15.7	0	0	0	112.9	L220 C221	L220-W224 HydrophobicContact CB-CD2 4.45Å; L220-W224 HydrophobicContact CB-CE3 4.07Å; L220-W224 HydrophobicContact CB-CZ3 4.2Å; L220-W224 HydrophobicContact CD1-CH2 4.18Å; L220-W224 HydrophobicContact CD1-CZ3 3.96Å; L220-W224 HydrophobicContact CD2-CD2 4.43Å; L220-W224 HydrophobicContact CD2-CE3 4.34Å; L220-W224 HydrophobicContact CD2-CH2 3.61Å; L220-W224 HydrophobicContact CD2-CZ2 3.68Å; L220-W224 HydrophobicContact CD2-CZ3 3.95Å; L220-W224 HydrophobicContact CG-CH2 4.36Å; L220-W224 HydrophobicContact CG-CZ3 4.25Å; L220-W224 WeakPolarHBondContact O-CB 3.43Å; L220-W224 PolarHBondContact O-N 3.01Å; C221-W224 PolarHBondContact O-N 3.09Å
225	F	98	Very high	96.1	Very high	69 Å²	69	81.8 Å²	81.8	30%	0.303	38%	0.384	S	S	.	.			trans	-136.4	60.5	-174.6	-59.1	-80.9	0	0	0	110.1	C221 E227 E228 F229 I259	C221-F225 CarbonylContact O-C 3.56Å; C221-F225 VanDerWaalsContact O-CA 3.26Å; C221-F225 WeakPolarHBondContact O-CA 3.45Å; C221-F225 PolarHBondContact O-N 3.08Å; F225-E227 VanDerWaalsContact C-N 3.27Å; F225-E227 PolarHBondContact O-N 2.87Å; F225-E228 WeakPolarHBondContact CA-OE2 3.31Å; F225-E228 HydrophobicContact CB-CB 4.16Å; F225-E228 HydrophobicContact CB-CG 4.43Å; F225-E228 VanDerWaalsContact CB-OE2 3.32Å; F225-E228 WeakPolarHBondContact CB-OE2 3.47Å; F225-E228 PolarHBondContact O-N 3.34Å; F225-F229 WeakPolarHBondContact O-CB 3.49Å; F225-F229 PolarHBondContact O-N 3.27Å; F225-I259 HydrophobicContact CB-CG2 3.7Å; F225-I259 HydrophobicContact CD1-CB 4.38Å; F225-I259 HydrophobicContact CD1-CG2 4.04Å; F225-I259 HydrophobicContact CD2-CB 3.9Å; F225-I259 HydrophobicContact CD2-CD1 4.28Å; F225-I259 HydrophobicContact CD2-CG2 3.89Å; F225-I259 HydrophobicContact CE2-CB 4.09Å; F225-I259 HydrophobicContact CG-CB 4.05Å; F225-I259 HydrophobicContact CG-CG2 3.6Å; F225-I259 HydrophobicContact CZ-CB 4.4Å
226	P	97.6	Very high	95.1	Very high	62 Å²	62	85 Å²	85	40%	0.403	41%	0.406	S	S	.	.	H	α-helix	trans	-67.3	-24.7	-170.6	27.6	-36	0	0	0	113.6	K230	P226-K230 WeakPolarHBondContact O-CG 3.39Å; P226-K230 PolarHBondContact O-N 3.42Å
227	E	97.8	Very high	93.7	Very high	113 Å²	113	83.4 Å²	83.4	53%	0.528	40%	0.401	S	S	.	.	H	α-helix	trans	-77.1	-43.7	177.1	-60.4	-49.9	131.1	0	0	111	F225 F229 K230	F225-E227 VanDerWaalsContact C-N 3.27Å; F225-E227 PolarHBondContact O-N 2.87Å; E227-F229 VanDerWaalsContact C-N 3.28Å; E227-F229 PolarHBondContact O-N 2.96Å; E227-K230 PolarHBondContact O-N 3.46Å; E227-K230 IonicContact OE1-NZ 2.93Å; E227-K230 PolarHBondContact OE1-NZ 3.14Å; E227-K230 IonicContact OE2-NZ 2.73Å; E227-K230 PolarHBondContact OE2-NZ 2.9Å
228	E	97.4	Very high	92.4	Very high	70 Å²	70	84 Å²	84	33%	0.327	41%	0.41	S	S	.	.	H	α-helix	trans	-63.9	-35.5	172.7	-61.8	77.5	-176.9	0	0	111	F225 K230 M231 A232 Y254 I259	F225-E228 WeakPolarHBondContact CA-OE2 3.31Å; F225-E228 HydrophobicContact CB-CB 4.16Å; F225-E228 HydrophobicContact CB-CG 4.43Å; F225-E228 VanDerWaalsContact CB-OE2 3.32Å; F225-E228 WeakPolarHBondContact CB-OE2 3.47Å; F225-E228 PolarHBondContact O-N 3.34Å; E228-K230 VanDerWaalsContact C-N 3.32Å; E228-K230 PolarHBondContact O-N 3.43Å; E228-M231 PolarHBondContact O-N 2.93Å; E228-M231 VanDerWaalsContact O-N 3.15Å; E228-A232 PolarHBondContact O-N 3.39Å; E228-Y254 PolarHBondContact O-OH 3.35Å; E228-I259 HydrophobicContact CB-CG2 4.01Å; E228-I259 HydrophobicContact CG-CG2 4.2Å
229	F	97.1	Very high	91.1	Very high	60 Å²	60	83.5 Å²	83.5	26%	0.263	41%	0.409	S	S	.	.	H	α-helix	trans	-60.7	-39.4	176.2	180	-97.3	0	0	0	112.6	K218 C221 R222 F225 E227 M231 A232	K218-F229 HydrophobicContact CG-CE2 3.87Å; C221-F229 HydrophobicContact CB-CD2 4.37Å; R222-F229 HydrophobicContact CB-CD1 4.37Å; R222-F229 HydrophobicContact CB-CD2 3.76Å; R222-F229 HydrophobicContact CB-CE1 4.44Å; R222-F229 HydrophobicContact CB-CE2 3.84Å; R222-F229 HydrophobicContact CB-CG 4.04Å; R222-F229 HydrophobicContact CB-CZ 4.19Å; R222-F229 HydrophobicContact CG-CD1 4.12Å; R222-F229 HydrophobicContact CG-CD2 4.36Å; R222-F229 HydrophobicContact CG-CE1 4.01Å; R222-F229 HydrophobicContact CG-CE2 4.24Å; R222-F229 HydrophobicContact CG-CG 4.3Å; R222-F229 HydrophobicContact CG-CZ 4.07Å; F225-F229 WeakPolarHBondContact O-CB 3.49Å; F225-F229 PolarHBondContact O-N 3.27Å; E227-F229 VanDerWaalsContact C-N 3.28Å; E227-F229 PolarHBondContact O-N 2.96Å; F229-M231 PolarHBondContact O-N 3Å; F229-A232 VanDerWaalsContact O-CB 3.29Å; F229-A232 WeakPolarHBondContact O-CB 3.44Å; F229-A232 PolarHBondContact O-N 3.43Å
230	K	95.9	Very high	90.6	Very high	130 Å²	130	84.5 Å²	84.5	57%	0.565	41%	0.41	S	S	*	.	H	α-helix	trans	-65.2	-24.7	178	-67.8	168.6	-160.4	164.2	0	112.9	P226 E227 E228	P226-K230 WeakPolarHBondContact O-CG 3.39Å; P226-K230 PolarHBondContact O-N 3.42Å; E227-K230 PolarHBondContact O-N 3.46Å; E227-K230 IonicContact OE1-NZ 2.93Å; E227-K230 PolarHBondContact OE1-NZ 3.14Å; E227-K230 IonicContact OE2-NZ 2.73Å; E227-K230 PolarHBondContact OE2-NZ 2.9Å; E228-K230 VanDerWaalsContact C-N 3.32Å; E228-K230 PolarHBondContact O-N 3.43Å
231	M	95.8	Very high	90.2	Very high	145 Å²	145	81.5 Å²	81.5	71%	0.714	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-2.6	-179.2	-61.5	-61.1	-65.6	0	0	112.7	E228 F229 Y254	E228-M231 PolarHBondContact O-N 2.93Å; E228-M231 VanDerWaalsContact O-N 3.15Å; F229-M231 PolarHBondContact O-N 3Å; M231-Y254 VanDerWaalsContact CB-OH 3.26Å; M231-Y254 WeakPolarHBondContact CB-OH 3.42Å
232	A	93.3	Very high	90.1	Very high	14 Å²	14	83.2 Å²	83.2	12%	0.116	40%	0.403	C	S	.	.	S	Bend	trans	-62.1	142.9	177.9	0	0	0	0	0	111.1	E228 F229 H234 Y254 Y255	E228-A232 PolarHBondContact O-N 3.39Å; F229-A232 VanDerWaalsContact O-CB 3.29Å; F229-A232 WeakPolarHBondContact O-CB 3.44Å; F229-A232 PolarHBondContact O-N 3.43Å; A232-H234 PolarHBondContact O-N 3.27Å; A232-Y254 VanDerWaalsContact CA-CE1 3.47Å; A232-Y254 HydrophobicContact CB-CD1 3.91Å; A232-Y254 HydrophobicContact CB-CE1 3.62Å; A232-Y255 HydrophobicContact CB-CE1 4.43Å
233	P	90.8	Very high	89.9	Confident	64 Å²	64	82 Å²	82	42%	0.416	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-60.3	134.7	-179.8	24.2	-33	0	0	0	111
234	H	85.7	Confident	89.7	Confident	175 Å²	175	76.3 Å²	76.3	81%	0.81	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-73.4	133.2	172.4	-66	-67.9	0	0	0	110	A232	A232-H234 PolarHBondContact O-N 3.27Å
235	K	83.4	Confident	89.7	Confident	75 Å²	75	68.2 Å²	68.2	33%	0.326	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-67.1	133.9	169.8	-70.4	-157.5	175.1	-160	0	109.4	N187 A237 E247 S248 E251	N187-K235 PolarHBondContact OD1-NZ 3.31Å; K235-A237 PolarHBondContact O-N 3Å; K235-E247 VanDerWaalsContact CA-OE2 3.32Å; K235-E247 WeakPolarHBondContact CA-OE2 3.38Å; K235-E247 WeakPolarHBondContact CB-OE2 3.39Å; K235-E247 HydrophobicContact CD-CB 4.43Å; K235-E247 HydrophobicContact CG-CB 4.39Å; K235-E247 WeakPolarHBondContact CG-OE2 3.46Å; K235-S248 PolarHBondContact NZ-OG 2.56Å; K235-E251 VanDerWaalsContact CE-OE2 3.29Å; K235-E251 WeakPolarHBondContact CE-OE2 3.42Å; K235-E251 IonicContact NZ-OE2 3.01Å
236	S	76.9	Confident	89.6	Confident	86 Å²	86	67.5 Å²	67.5	60%	0.601	35%	0.35	S	S	*	.			trans	-70.5	-17.6	174.4	70.6	0	0	0	0	111.8	A238 E247	S236-A238 VanDerWaalsContact C-N 3.31Å; S236-A238 PolarHBondContact O-N 3.4Å; S236-E247 WeakPolarHBondContact CA-OE1 3.48Å; S236-E247 WeakPolarHBondContact CB-OE1 3.36Å; S236-E247 PolarHBondContact N-OE1 3.39Å; S236-E247 PolarHBondContact N-OE2 3.31Å; S236-E247 PolarHBondContact OG-OE1 2.85Å
237	A	69.6	Low	89.6	Confident	47 Å²	47	66 Å²	66	39%	0.388	34%	0.338	S	S	.	.			trans	54.7	50.1	177.3	0	0	0	0	0	110.4	K235 H239	K235-A237 PolarHBondContact O-N 3Å; A237-H239 WeakPolarHBondContact CB-NE2 3.29Å; A237-H239 PolarHBondContact O-CD2 3.08Å; A237-H239 PolarHBondContact O-N 2.7Å; A237-H239 PolarHBondContact O-NE2 3.05Å
238	A	72.4	Confident	89.6	Confident	42 Å²	42	60.6 Å²	60.6	35%	0.347	31%	0.313	S	S	.	.			trans	-72.4	-18.2	177.2	0	0	0	0	0	112.1	S236 R240	S236-A238 VanDerWaalsContact C-N 3.31Å; S236-A238 PolarHBondContact O-N 3.4Å; A238-R240 VanDerWaalsContact C-N 3.3Å; A238-R240 PolarHBondContact O-N 3.2Å
239	H	70.8	Confident	89.6	Confident	56 Å²	56	57.5 Å²	57.5	26%	0.259	30%	0.298	S	S	.	.			trans	56.7	45.6	174.7	-57.5	-60	0	0	0	112.6	H145 A237	H145-H239 AromaticContact CD2-CG 3.92Å; H145-H239 AromaticContact CE1-CD2 3.08Å; H145-H239 PolarHBondContact CE1-CD2 3.08Å; H145-H239 AromaticContact CE1-CE1 3.3Å; H145-H239 PolarHBondContact CE1-CE1 2.77Å; H145-H239 AromaticContact CE1-CG 3.42Å; H145-H239 VanDerWaalsContact CE1-CG 3.42Å; H145-H239 AromaticContact CE1-ND1 3.55Å; H145-H239 AromaticContact CE1-NE2 2.99Å; H145-H239 PolarHBondContact CE1-NE2 2.89Å; H145-H239 WeakPolarHBondContact NE2-CB 3.35Å; H145-H239 AromaticContact NE2-CD2 3.09Å; H145-H239 PolarHBondContact NE2-CD2 3.3Å; H145-H239 AromaticContact NE2-CE1 3.27Å; H145-H239 PolarHBondContact NE2-CE1 3.14Å; H145-H239 VanDerWaalsContact NE2-CE1 3.27Å; H145-H239 AromaticContact NE2-CG 2.88Å; H145-H239 AromaticContact NE2-ND1 3.01Å; H145-H239 PolarHBondContact NE2-ND1 3.3Å; H145-H239 AromaticContact NE2-NE2 3.34Å; H145-H239 PolarHBondContact NE2-NE2 3.2Å; A237-H239 WeakPolarHBondContact CB-NE2 3.29Å; A237-H239 PolarHBondContact O-CD2 3.08Å; A237-H239 PolarHBondContact O-N 2.7Å; A237-H239 PolarHBondContact O-NE2 3.05Å
240	R	87.2	Confident	89.6	Confident	90 Å²	90	60.8 Å²	60.8	34%	0.34	31%	0.312	S	S	.	.			trans	-131.2	126.4	173	-66.3	-57.1	-55.4	-78.4	-2.6	106.4	E107 A238 L242 D243 D244	E107-R240 IonicContact OE1-CZ 3.51Å; E107-R240 VanDerWaalsContact OE1-CZ 3.23Å; E107-R240 IonicContact OE1-NE 3.23Å; E107-R240 PolarHBondContact OE1-NE 3.48Å; E107-R240 IonicContact OE1-NH2 2.76Å; E107-R240 PolarHBondContact OE1-NH2 2.88Å; E107-R240 IonicContact OE2-NE 2.9Å; E107-R240 PolarHBondContact OE2-NE 3.09Å; A238-R240 VanDerWaalsContact C-N 3.3Å; A238-R240 PolarHBondContact O-N 3.2Å; R240-L242 VanDerWaalsContact C-N 3.27Å; R240-L242 PolarHBondContact O-N 2.91Å; R240-L242 VanDerWaalsContact O-N 3.08Å; R240-D243 PolarHBondContact O-N 2.92Å; R240-D244 PolarHBondContact O-N 3.4Å; R240-D244 VanDerWaalsContact O-N 3.08Å
241	A	92.1	Very high	89.7	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-53.5	-41.8	-165.5	0	0	0	0	0	113.8	D92 E107 A109 D243 D244 I245	D92-A241 HydrophobicContact CB-CB 4.28Å; D92-A241 WeakPolarHBondContact OD2-CA 3.11Å; E107-A241 HydrophobicContact CG-CB 4.05Å; E107-A241 PolarHBondContact OE2-N 3.4Å; A109-A241 HydrophobicContact CB-CB 3.64Å; A241-D243 PolarHBondContact O-N 3.14Å; A241-D244 PolarHBondContact O-N 3.36Å; A241-I245 VanDerWaalsContact O-CG1 3.31Å; A241-I245 WeakPolarHBondContact O-CG1 3.32Å; A241-I245 PolarHBondContact O-N 2.92Å
242	L	95	Very high	89.9	Confident	37 Å²	37	48.6 Å²	48.6	19%	0.194	26%	0.256	C	S	.	.	H	α-helix	trans	-67.4	-39.4	-178.1	-174.5	65.1	0	0	0	113.2	A109 I111 R240 K246	A109-L242 HydrophobicContact CB-CB 3.93Å; A109-L242 HydrophobicContact CB-CD1 4.26Å; I111-L242 HydrophobicContact CD1-CD1 3.76Å; I111-L242 HydrophobicContact CG1-CD1 3.86Å; R240-L242 VanDerWaalsContact C-N 3.27Å; R240-L242 PolarHBondContact O-N 2.91Å; R240-L242 VanDerWaalsContact O-N 3.08Å; L242-K246 WeakPolarHBondContact O-CG 3.4Å; L242-K246 PolarHBondContact O-N 3.06Å
243	D	93.8	Very high	90.1	Very high	77 Å²	77	51.7 Å²	51.7	41%	0.412	27%	0.268	S	S	.	.	H	α-helix	trans	-71.2	-40	179.4	-71	-32.7	0	0	0	110.2	R240 A241 I245 K246 E247	R240-D243 PolarHBondContact O-N 2.92Å; A241-D243 PolarHBondContact O-N 3.14Å; D243-I245 VanDerWaalsContact C-N 3.32Å; D243-I245 PolarHBondContact O-N 2.92Å; D243-K246 WeakPolarHBondContact O-CB 3.49Å; D243-K246 PolarHBondContact O-N 3.29Å; D243-E247 WeakPolarHBondContact O-CG 3.2Å; D243-E247 PolarHBondContact O-N 2.95Å
244	D	94.8	Very high	90.4	Very high	18 Å²	18	50.7 Å²	50.7	10%	0.096	26%	0.256	C	S	.	.	H	α-helix	trans	-65	-34.6	178	-75.3	10.2	0	0	0	111.7	R240 A241 E247 S248	R240-D244 PolarHBondContact O-N 3.4Å; R240-D244 VanDerWaalsContact O-N 3.08Å; A241-D244 PolarHBondContact O-N 3.36Å; D244-E247 PolarHBondContact O-N 3.32Å; D244-S248 WeakPolarHBondContact O-CB 3.37Å; D244-S248 PolarHBondContact O-N 3.06Å; D244-S248 PolarHBondContact O-OG 2.8Å
245	I	97.6	Very high	91	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-61.5	-49.1	168.3	-67.6	168.9	0	0	0	111.1	W90 D92 A109 I111 A241 D243 E247 S248 I249	W90-I245 HydrophobicContact CB-CG2 3.6Å; W90-I245 HydrophobicContact CE3-CG2 4.47Å; W90-I245 HydrophobicContact CG-CG2 4.34Å; D92-I245 HydrophobicContact CB-CD1 4.06Å; D92-I245 HydrophobicContact CB-CG1 3.47Å; D92-I245 VanDerWaalsContact CB-CG1 3.47Å; A109-I245 HydrophobicContact CB-CD1 3.7Å; A109-I245 WeakPolarHBondContact O-CD1 3.38Å; I111-I245 HydrophobicContact CB-CG2 3.99Å; I111-I245 HydrophobicContact CD1-CB 4.43Å; I111-I245 HydrophobicContact CD1-CG2 3.79Å; I111-I245 HydrophobicContact CG1-CG2 3.97Å; A241-I245 VanDerWaalsContact O-CG1 3.31Å; A241-I245 WeakPolarHBondContact O-CG1 3.32Å; A241-I245 PolarHBondContact O-N 2.92Å; D243-I245 VanDerWaalsContact C-N 3.32Å; D243-I245 PolarHBondContact O-N 2.92Å; I245-E247 PolarHBondContact O-N 3.15Å; I245-S248 WeakPolarHBondContact O-CA 3.19Å; I245-S248 WeakPolarHBondContact O-CB 3.11Å; I245-S248 PolarHBondContact O-N 3.39Å; I245-I249 HydrophobicContact CG2-CD1 3.89Å; I245-I249 HydrophobicContact CG2-CG1 4.37Å; I245-I249 WeakPolarHBondContact O-CG1 3.43Å; I245-I249 PolarHBondContact O-N 3.39Å
246	K	97.1	Very high	91.7	Very high	55 Å²	55	44.3 Å²	44.3	24%	0.239	22%	0.223	C	C	.	.	H	α-helix	trans	-62.1	-36.4	-178.2	-72.2	174.7	179.6	-179.5	0	111.1	I111 E122 L242 D243 K250	I111-K246 HydrophobicContact CD1-CG 3.85Å; E122-K246 VanDerWaalsContact CD-NZ 3.26Å; E122-K246 WeakPolarHBondContact OE1-CE 3.37Å; E122-K246 IonicContact OE1-NZ 2.77Å; E122-K246 PolarHBondContact OE1-NZ 3.08Å; E122-K246 IonicContact OE2-NZ 2.89Å; E122-K246 PolarHBondContact OE2-NZ 3.47Å; L242-K246 WeakPolarHBondContact O-CG 3.4Å; L242-K246 PolarHBondContact O-N 3.06Å; D243-K246 WeakPolarHBondContact O-CB 3.49Å; D243-K246 PolarHBondContact O-N 3.29Å; K246-K250 WeakPolarHBondContact O-CG 3.41Å; K246-K250 PolarHBondContact O-N 3.31Å; K246-K250 VanDerWaalsContact O-N 3.15Å
247	E	96.8	Very high	92.6	Very high	29 Å²	29	44.1 Å²	44.1	14%	0.136	23%	0.227	C	C	.	.	H	α-helix	trans	-66.9	-40.9	171.9	-68.9	-170.6	162.7	0	0	112.5	K235 S236 D243 D244 I245 I249 K250 E251	K235-E247 VanDerWaalsContact CA-OE2 3.32Å; K235-E247 WeakPolarHBondContact CA-OE2 3.38Å; K235-E247 WeakPolarHBondContact CB-OE2 3.39Å; K235-E247 HydrophobicContact CD-CB 4.43Å; K235-E247 HydrophobicContact CG-CB 4.39Å; K235-E247 WeakPolarHBondContact CG-OE2 3.46Å; S236-E247 WeakPolarHBondContact CA-OE1 3.48Å; S236-E247 WeakPolarHBondContact CB-OE1 3.36Å; S236-E247 PolarHBondContact N-OE1 3.39Å; S236-E247 PolarHBondContact N-OE2 3.31Å; S236-E247 PolarHBondContact OG-OE1 2.85Å; D243-E247 WeakPolarHBondContact O-CG 3.2Å; D243-E247 PolarHBondContact O-N 2.95Å; D244-E247 PolarHBondContact O-N 3.32Å; I245-E247 PolarHBondContact O-N 3.15Å; E247-I249 PolarHBondContact O-N 2.59Å; E247-K250 PolarHBondContact O-N 3.01Å; E247-E251 WeakPolarHBondContact O-CB 3.36Å; E247-E251 PolarHBondContact O-N 2.68Å
248	S	97.6	Very high	93.9	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.007	23%	0.228	C	C	.	.	H	α-helix	trans	-62.4	-40.4	176.8	-55.8	0	0	0	0	112.3	N187 K235 D244 I245 E251 L252	N187-S248 WeakPolarHBondContact OD1-CA 3.48Å; N187-S248 WeakPolarHBondContact OD1-CB 3.47Å; N187-S248 PolarHBondContact OD1-OG 3.3Å; K235-S248 PolarHBondContact NZ-OG 2.56Å; D244-S248 WeakPolarHBondContact O-CB 3.37Å; D244-S248 PolarHBondContact O-N 3.06Å; D244-S248 PolarHBondContact O-OG 2.8Å; I245-S248 WeakPolarHBondContact O-CA 3.19Å; I245-S248 WeakPolarHBondContact O-CB 3.11Å; I245-S248 PolarHBondContact O-N 3.39Å; S248-E251 PolarHBondContact O-N 2.99Å; S248-L252 PolarHBondContact O-N 3.17Å
249	I	98.3	Very high	95.1	Very high	5 Å²	5	44 Å²	44	3%	0.026	22%	0.218	C	C	.	.	H	α-helix	trans	-62.8	-47.5	174.1	-67.5	168.1	0	0	0	110.3	W90 I111 T113 L117 I119 I245 E247 E251 L252 Q253	W90-I249 HydrophobicContact CD2-CD1 4.02Å; W90-I249 HydrophobicContact CD2-CG1 3.5Å; W90-I249 HydrophobicContact CE3-CD1 4.37Å; W90-I249 HydrophobicContact CE3-CG1 3.52Å; W90-I249 HydrophobicContact CG-CD1 4.13Å; W90-I249 HydrophobicContact CG-CG1 4.15Å; W90-I249 HydrophobicContact CH2-CB 4.44Å; W90-I249 HydrophobicContact CH2-CG1 3.87Å; W90-I249 HydrophobicContact CZ2-CG1 3.89Å; W90-I249 HydrophobicContact CZ3-CB 4.44Å; W90-I249 HydrophobicContact CZ3-CG1 3.69Å; I111-I249 HydrophobicContact CD1-CD1 4.47Å; I111-I249 HydrophobicContact CG2-CD1 4.06Å; T113-I249 HydrophobicContact CG2-CD1 3.89Å; T113-I249 HydrophobicContact CG2-CG1 4.49Å; L117-I249 HydrophobicContact CB-CG2 4.38Å; I119-I249 HydrophobicContact CG1-CD1 4.39Å; I245-I249 HydrophobicContact CG2-CD1 3.89Å; I245-I249 HydrophobicContact CG2-CG1 4.37Å; I245-I249 WeakPolarHBondContact O-CG1 3.43Å; I245-I249 PolarHBondContact O-N 3.39Å; E247-I249 PolarHBondContact O-N 2.59Å; I249-E251 VanDerWaalsContact C-N 3.34Å; I249-E251 PolarHBondContact O-N 3.1Å; I249-L252 PolarHBondContact O-N 3.5Å; I249-Q253 HydrophobicContact CG2-CG 4.39Å; I249-Q253 VanDerWaalsContact O-CG 3.32Å; I249-Q253 WeakPolarHBondContact O-CG 3.46Å; I249-Q253 PolarHBondContact O-N 3.2Å
250	K	97.9	Very high	96.3	Very high	128 Å²	128	46.7 Å²	46.7	56%	0.557	23%	0.229	S	C	*	.	H	α-helix	trans	-61.6	-40.5	177.6	-73.3	171.8	-176.4	173.5	0	112.2	K246 E247 Q253 Y254	K246-K250 WeakPolarHBondContact O-CG 3.41Å; K246-K250 PolarHBondContact O-N 3.31Å; K246-K250 VanDerWaalsContact O-N 3.15Å; E247-K250 PolarHBondContact O-N 3.01Å; K250-Q253 PolarHBondContact O-N 3.35Å; K250-Y254 WeakPolarHBondContact O-CB 3.49Å; K250-Y254 PolarHBondContact O-N 2.96Å
251	E	98	Very high	96.7	Very high	7 Å²	7	51.8 Å²	51.8	3%	0.033	25%	0.254	C	S	.	.	H	α-helix	trans	-61.6	-44.3	175.5	-176.2	175.3	-154.6	0	0	110.7	N187 V214 K218 K235 E247 S248 I249 Y254 Y255	N187-E251 PolarHBondContact ND2-OE2 2.89Å; N187-E251 PolarHBondContact OD1-OE2 2.9Å; V214-E251 HydrophobicContact CG1-CB 4.26Å; V214-E251 HydrophobicContact CG1-CG 3.99Å; K218-E251 WeakPolarHBondContact CD-OE1 3.48Å; K218-E251 IonicContact NZ-OE1 2.68Å; K218-E251 PolarHBondContact NZ-OE1 2.66Å; K235-E251 VanDerWaalsContact CE-OE2 3.29Å; K235-E251 WeakPolarHBondContact CE-OE2 3.42Å; K235-E251 IonicContact NZ-OE2 3.01Å; E247-E251 WeakPolarHBondContact O-CB 3.36Å; E247-E251 PolarHBondContact O-N 2.68Å; S248-E251 PolarHBondContact O-N 2.99Å; I249-E251 VanDerWaalsContact C-N 3.34Å; I249-E251 PolarHBondContact O-N 3.1Å; E251-Y254 WeakPolarHBondContact O-CB 3.29Å; E251-Y254 PolarHBondContact O-N 3.23Å; E251-Y255 HydrophobicContact CG-CD2 4.25Å; E251-Y255 HydrophobicContact CG-CE2 3.49Å; E251-Y255 VanDerWaalsContact CG-CE2 3.49Å; E251-Y255 VanDerWaalsContact O-CD2 3.31Å; E251-Y255 WeakPolarHBondContact O-CD2 3.32Å; E251-Y255 PolarHBondContact O-N 2.79Å; E251-Y255 VanDerWaalsContact O-N 3.08Å; E251-Y255 PolarHBondContact OE1-OH 3.02Å; E251-Y255 VanDerWaalsContact OE1-OH 3.06Å
252	L	98.4	Very high	96.5	Very high	12 Å²	12	55.4 Å²	55.4	6%	0.063	28%	0.283	C	S	.	.	H	α-helix	trans	-68	-38.7	176.9	-172.9	59.2	0	0	0	112.9	W90 L117 I212 V214 I217 S248 I249 Y254 Y255 R256	W90-L252 HydrophobicContact CH2-CB 4.08Å; W90-L252 HydrophobicContact CH2-CD2 3.6Å; W90-L252 HydrophobicContact CH2-CG 4.48Å; W90-L252 HydrophobicContact CZ2-CD2 3.91Å; L117-L252 HydrophobicContact CD1-CB 4.22Å; L117-L252 HydrophobicContact CD1-CD2 4.12Å; L117-L252 HydrophobicContact CD1-CG 3.88Å; L117-L252 HydrophobicContact CD2-CD2 3.79Å; L117-L252 HydrophobicContact CD2-CG 4.47Å; I212-L252 HydrophobicContact CG2-CD2 4.25Å; V214-L252 HydrophobicContact CG1-CB 4.17Å; V214-L252 HydrophobicContact CG2-CB 3.98Å; V214-L252 HydrophobicContact CG2-CD1 4.49Å; V214-L252 HydrophobicContact CG2-CD2 4.21Å; V214-L252 HydrophobicContact CG2-CG 4.45Å; I217-L252 HydrophobicContact CD1-CD1 3.39Å; S248-L252 PolarHBondContact O-N 3.17Å; I249-L252 PolarHBondContact O-N 3.5Å; L252-Y254 VanDerWaalsContact C-N 3.3Å; L252-Y254 PolarHBondContact O-N 3.27Å; L252-Y255 PolarHBondContact O-N 2.91Å; L252-R256 WeakPolarHBondContact O-CB 3.37Å; L252-R256 PolarHBondContact O-N 3.48Å
253	Q	98	Very high	95.9	Very high	80 Å²	80	59.3 Å²	59.3	37%	0.374	31%	0.311	S	S	.	.	H	α-helix	trans	-59.1	-42.8	173.2	-75.3	173.5	-15.7	0	0	111.1	L117 I249 K250 R256 A257	L117-Q253 HydrophobicContact CB-CG 3.81Å; L117-Q253 HydrophobicContact CD1-CB 4.29Å; L117-Q253 HydrophobicContact CD1-CG 3.54Å; L117-Q253 HydrophobicContact CG-CG 4.32Å; L117-Q253 PolarHBondContact O-NE2 2.71Å; L117-Q253 VanDerWaalsContact O-NE2 3.12Å; I249-Q253 HydrophobicContact CG2-CG 4.39Å; I249-Q253 VanDerWaalsContact O-CG 3.32Å; I249-Q253 WeakPolarHBondContact O-CG 3.46Å; I249-Q253 PolarHBondContact O-N 3.2Å; K250-Q253 PolarHBondContact O-N 3.35Å; Q253-R256 PolarHBondContact O-N 3.02Å; Q253-A257 PolarHBondContact O-N 3.11Å
254	Y	98	Very high	95.1	Very high	43 Å²	43	60.5 Å²	60.5	17%	0.169	33%	0.325	C	S	.	.	H	α-helix	trans	-58.5	-50.5	174.6	173.4	-96.5	0	0	0	111.5	E228 M231 A232 K250 E251 L252 R256 A257 C258	E228-Y254 PolarHBondContact O-OH 3.35Å; M231-Y254 VanDerWaalsContact CB-OH 3.26Å; M231-Y254 WeakPolarHBondContact CB-OH 3.42Å; A232-Y254 VanDerWaalsContact CA-CE1 3.47Å; A232-Y254 HydrophobicContact CB-CD1 3.91Å; A232-Y254 HydrophobicContact CB-CE1 3.62Å; K250-Y254 WeakPolarHBondContact O-CB 3.49Å; K250-Y254 PolarHBondContact O-N 2.96Å; E251-Y254 WeakPolarHBondContact O-CB 3.29Å; E251-Y254 PolarHBondContact O-N 3.23Å; L252-Y254 VanDerWaalsContact C-N 3.3Å; L252-Y254 PolarHBondContact O-N 3.27Å; Y254-R256 VanDerWaalsContact C-N 3.34Å; Y254-R256 PolarHBondContact O-N 3.4Å; Y254-A257 PolarHBondContact O-N 3.13Å; Y254-A257 VanDerWaalsContact O-N 3.15Å; Y254-C258 HydrophobicContact CE1-CB 4.49Å; Y254-C258 WeakPolarHBondContact CE2-SG 3.41Å; Y254-C258 WeakPolarHBondContact O-CB 3.26Å; Y254-C258 PolarHBondContact O-N 3.49Å; Y254-C258 PolarHBondContact O-SG 3.38Å
255	Y	98	Very high	93.7	Very high	1 Å²	1	68.2 Å²	68.2	0%	0.004	36%	0.361	C	S	.	.	H	α-helix	trans	-60.9	-43.5	178	-63.6	-40.4	0	0	0	112.4	V214 I217 K218 C221 A232 E251 L252 A257 C258 I259 F260	V214-Y255 HydrophobicContact CG1-CD2 4.39Å; V214-Y255 HydrophobicContact CG1-CE2 4.18Å; I217-Y255 HydrophobicContact CB-CD2 4.14Å; I217-Y255 HydrophobicContact CG2-CD2 3.57Å; I217-Y255 HydrophobicContact CG2-CE2 4.35Å; I217-Y255 HydrophobicContact CG2-CG 3.72Å; K218-Y255 HydrophobicContact CB-CE2 3.92Å; K218-Y255 WeakPolarHBondContact CB-OH 3.1Å; K218-Y255 WeakPolarHBondContact CG-OH 3.43Å; C221-Y255 HydrophobicContact CB-CD1 4.17Å; C221-Y255 HydrophobicContact CB-CE1 3.92Å; A232-Y255 HydrophobicContact CB-CE1 4.43Å; E251-Y255 HydrophobicContact CG-CD2 4.25Å; E251-Y255 HydrophobicContact CG-CE2 3.49Å; E251-Y255 VanDerWaalsContact CG-CE2 3.49Å; E251-Y255 VanDerWaalsContact O-CD2 3.31Å; E251-Y255 WeakPolarHBondContact O-CD2 3.32Å; E251-Y255 PolarHBondContact O-N 2.79Å; E251-Y255 VanDerWaalsContact O-N 3.08Å; E251-Y255 PolarHBondContact OE1-OH 3.02Å; E251-Y255 VanDerWaalsContact OE1-OH 3.06Å; L252-Y255 PolarHBondContact O-N 2.91Å; Y255-A257 PolarHBondContact O-N 3.39Å; Y255-C258 PolarHBondContact O-N 2.82Å; Y255-I259 HydrophobicContact CD1-CD1 4.38Å; Y255-I259 WeakPolarHBondContact O-CG1 3.26Å; Y255-I259 PolarHBondContact O-N 2.82Å; Y255-F260 WeakPolarHBondContact O-CD2 3.38Å
256	R	97.5	Very high	91.6	Very high	114 Å²	114	76.7 Å²	76.7	43%	0.43	40%	0.4	S	S	.	.	H	α-helix	trans	-54.4	-41.2	176	-173.3	-176.7	-177.7	-168	3.9	111.8	D116 L252 Q253 Y254	D116-R256 VanDerWaalsContact CA-NH1 3.28Å; D116-R256 PolarHBondContact O-NH1 2.87Å; D116-R256 VanDerWaalsContact O-NH1 3.14Å; D116-R256 IonicContact OD1-CZ 3.31Å; D116-R256 VanDerWaalsContact OD1-CZ 3.25Å; D116-R256 IonicContact OD1-NH1 2.59Å; D116-R256 PolarHBondContact OD1-NH1 3.3Å; D116-R256 IonicContact OD1-NH2 2.94Å; D116-R256 PolarHBondContact OD1-NH2 3.42Å; L252-R256 WeakPolarHBondContact O-CB 3.37Å; L252-R256 PolarHBondContact O-N 3.48Å; Q253-R256 PolarHBondContact O-N 3.02Å; Y254-R256 VanDerWaalsContact C-N 3.34Å; Y254-R256 PolarHBondContact O-N 3.4Å
257	A	96.4	Very high	89.3	Confident	83 Å²	83	82.7 Å²	82.7	69%	0.686	43%	0.426	S	S	*	.	H	α-helix	trans	-75.5	-35	-178.8	0	0	0	0	0	113.4	Q253 Y254 Y255	Q253-A257 PolarHBondContact O-N 3.11Å; Y254-A257 PolarHBondContact O-N 3.13Å; Y254-A257 VanDerWaalsContact O-N 3.15Å; Y255-A257 PolarHBondContact O-N 3.39Å
258	C	96.1	Very high	87.1	Confident	59 Å²	59	90.8 Å²	90.8	40%	0.399	46%	0.461	S	S	.	.	H	α-helix	trans	-99.2	-35.9	-167.9	-65.5	0	0	0	0	114.8	Y254 Y255	Y254-C258 HydrophobicContact CE1-CB 4.49Å; Y254-C258 WeakPolarHBondContact CE2-SG 3.41Å; Y254-C258 WeakPolarHBondContact O-CB 3.26Å; Y254-C258 PolarHBondContact O-N 3.49Å; Y254-C258 PolarHBondContact O-SG 3.38Å; Y255-C258 PolarHBondContact O-N 2.82Å
259	I	96.9	Very high	84.8	Confident	28 Å²	28	99 Å²	99	14%	0.144	50%	0.499	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.9	-8.8	-169.3	66.8	162	0	0	0	114.3	I217 C221 F225 E228 Y255	I217-I259 HydrophobicContact CG2-CD1 3.94Å; C221-I259 HydrophobicContact CB-CD1 3.9Å; F225-I259 HydrophobicContact CB-CG2 3.7Å; F225-I259 HydrophobicContact CD1-CB 4.38Å; F225-I259 HydrophobicContact CD1-CG2 4.04Å; F225-I259 HydrophobicContact CD2-CB 3.9Å; F225-I259 HydrophobicContact CD2-CD1 4.28Å; F225-I259 HydrophobicContact CD2-CG2 3.89Å; F225-I259 HydrophobicContact CE2-CB 4.09Å; F225-I259 HydrophobicContact CG-CB 4.05Å; F225-I259 HydrophobicContact CG-CG2 3.6Å; F225-I259 HydrophobicContact CZ-CB 4.4Å; E228-I259 HydrophobicContact CB-CG2 4.01Å; E228-I259 HydrophobicContact CG-CG2 4.2Å; Y255-I259 HydrophobicContact CD1-CD1 4.38Å; Y255-I259 WeakPolarHBondContact O-CG1 3.26Å; Y255-I259 PolarHBondContact O-N 2.82Å
260	F	96.9	Very high	82.5	Confident	111 Å²	111	107.7 Å²	107.7	49%	0.487	54%	0.537	S	S	.	.	S	Bend	trans	-93.2	152.1	172.1	-72.8	-95.4	0	0	0	110.8	I217 Y255 A262	I217-F260 HydrophobicContact CD1-CE2 4.46Å; I217-F260 HydrophobicContact CD1-CZ 4.19Å; I217-F260 HydrophobicContact CG2-CE2 4.03Å; I217-F260 HydrophobicContact CG2-CZ 4.4Å; Y255-F260 WeakPolarHBondContact O-CD2 3.38Å; F260-A262 PolarHBondContact O-N 3.12Å
261	K	95.8	Very high	80.5	Confident	198 Å²	198	108.8 Å²	108.8	86%	0.861	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-61.5	130.6	176.4	-173.3	-174.5	174.2	-177.8	0	109.7
262	A	88.3	Confident	78.3	Confident	75 Å²	75	113.8 Å²	113.8	62%	0.62	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-56.8	145.6	172.3	0	0	0	0	0	111.3	F260 S264	F260-A262 PolarHBondContact O-N 3.12Å; A262-S264 PolarHBondContact O-N 2.81Å
263	P	81.1	Confident	76	Confident	119 Å²	119	121.4 Å²	121.4	77%	0.773	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-53.4	137.6	171.2	-20.3	30.9	0	0	0	109.6	E265	P263-E265 PolarHBondContact O-N 2.9Å
264	S	77.6	Confident	73.7	Confident	103 Å²	103	124.9 Å²	124.9	72%	0.72	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-63.8	122.1	172.6	51.2	0	0	0	0	108.7	A262 E266	A262-S264 PolarHBondContact O-N 2.81Å; S264-E266 PolarHBondContact O-N 3.31Å
265	E	64.7	Low	71.1	Confident	179 Å²	179	126.6 Å²	126.6	84%	0.836	67%	0.665	S	S	*	*			trans	-44.1	116.8	165.7	-71.3	-74	147.3	0	0	108.4	P263 K267	P263-E265 PolarHBondContact O-N 2.9Å; E265-K267 PolarHBondContact O-N 3.39Å
266	E	55.3	Low	68.8	Low	180 Å²	180	130 Å²	130	84%	0.841	70%	0.7	S	S	*	*			trans	-55.8	110.2	171.5	-80.7	-175.7	161.7	0	0	106.7	S264 K268	S264-E266 PolarHBondContact O-N 3.31Å; E266-K268 VanDerWaalsContact C-N 3.29Å; E266-K268 PolarHBondContact O-N 3.34Å
267	K	47.9	Very low	66.1	Low	182 Å²	182	131.1 Å²	131.1	79%	0.791	71%	0.714	S	S	*	*			trans	-55.8	104.3	167.6	-76.1	-179.4	179.1	177.8	0	105.2	E265 H269	E265-K267 PolarHBondContact O-N 3.39Å; K267-H269 PolarHBondContact O-CD2 3.15Å; K267-H269 PolarHBondContact O-N 2.57Å
268	K	49.6	Very low	63.8	Low	199 Å²	199	132.9 Å²	132.9	87%	0.865	72%	0.717	S	S	*	*			trans	-51.6	96.7	168.1	-75.3	-179.7	178.6	176.8	0	106.2	E266 K270	E266-K268 VanDerWaalsContact C-N 3.29Å; E266-K268 PolarHBondContact O-N 3.34Å; K268-K270 PolarHBondContact O-N 3.39Å
269	H	51.2	Low	61.4	Low	173 Å²	173	139.1 Å²	139.1	80%	0.801	74%	0.737	S	S	*	*			trans	-64.1	96.7	169.5	-82.8	-85.1	0	0	0	104.4	K267 I271	K267-H269 PolarHBondContact O-CD2 3.15Å; K267-H269 PolarHBondContact O-N 2.57Å; H269-I271 VanDerWaalsContact C-N 3.35Å; H269-I271 PolarHBondContact O-N 3.42Å
270	K	48.1	Very low	58.9	Low	188 Å²	188	146.8 Å²	146.8	82%	0.817	79%	0.794	S	S	*	*			trans	-57.2	108	166.5	-75.4	-175	177.3	-177	0	104.9	K268 V272	K268-K270 PolarHBondContact O-N 3.39Å; K270-V272 PolarHBondContact O-N 3.27Å
271	I	56.5	Low	57	Low	150 Å²	150	148.6 Å²	148.6	77%	0.769	81%	0.809	S	S	*	*			trans	-61.8	99	162.8	-61.1	171.9	0	0	0	103.6	H269 E273	H269-I271 VanDerWaalsContact C-N 3.35Å; H269-I271 PolarHBondContact O-N 3.42Å; I271-E273 VanDerWaalsContact C-N 3.27Å; I271-E273 HydrophobicContact CG2-CG 4.36Å; I271-E273 PolarHBondContact O-N 3.2Å
272	V	51.4	Low	54.9	Low	113 Å²	113	146 Å²	146	69%	0.685	81%	0.806	S	S	*	*			trans	-71.5	98	165.4	179.4	0	0	0	0	103.9	K270 N274	K270-V272 PolarHBondContact O-N 3.27Å; V272-N274 PolarHBondContact O-N 3.29Å
273	E	49.9	Very low	53.1	Low	172 Å²	172	149.9 Å²	149.9	80%	0.804	82%	0.817	S	S	*	*			trans	-58.9	106.3	163.4	-74.2	-174.6	162.5	0	0	106.5	I271 G275	I271-E273 VanDerWaalsContact C-N 3.27Å; I271-E273 HydrophobicContact CG2-CG 4.36Å; I271-E273 PolarHBondContact O-N 3.2Å; E273-G275 PolarHBondContact O-N 3.43Å
274	N	49.6	Very low	51.4	Low	153 Å²	153	151.8 Å²	151.8	82%	0.818	82%	0.819	S	S	*	*			trans	-64.3	93	163.1	-88.4	-14.4	0	0	0	106.5	V272 G276	V272-N274 PolarHBondContact O-N 3.29Å; N274-G276 PolarHBondContact O-N 2.78Å
275	G	44.9	Very low	49.8	Very low	78 Å²	78	154.8 Å²	154.8	80%	0.804	83%	0.825	S	S	*	*			trans	-65.1	73.3	166.3	0	0	0	0	0	110.1	E273 N277	E273-G275 PolarHBondContact O-N 3.43Å; G275-N277 PolarHBondContact O-N 2.73Å
276	G	48.3	Very low	48.8	Very low	72 Å²	72	153.2 Å²	153.2	74%	0.742	83%	0.825	S	S	*	*			trans	-78.3	101.9	156.9	0	0	0	0	0	108	N274	N274-G276 PolarHBondContact O-N 2.78Å
277	N	40.7	Very low	48.3	Very low	138 Å²	138	151.3 Å²	151.3	74%	0.738	82%	0.823	S	S	*	*			trans	-140.7	99.6	149.4	-147.5	7.2	0	0	0	110.6	G275	G275-N277 PolarHBondContact O-N 2.73Å
278	T	49.4	Very low	48.4	Very low	121 Å²	121	148.9 Å²	148.9	74%	0.742	83%	0.826	S	S	*	*			trans	-37	137.2	149.5	41.4	0	0	0	0	113.4
279	K	44.8	Very low	48.3	Very low	189 Å²	189	144.8 Å²	144.8	82%	0.822	82%	0.823	S	S	*	*			trans	164	133	150.8	-93	165.4	-171.5	-169.2	0	106.3
280	S	44.3	Very low	48	Very low	190 Å²	190	142.2 Å²	142.2	100%	1.329	83%	0.825	S	S	*	*			cis	-160.8	0	-5.4	-84.9	0	0	0	0	105.6

Retrieved 280 of 280 residues in 154.6 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).