A0A096MR52_PAPAN Loading...

Cytokine-inducible SH2-containing protein

AlphaFold DB (A0A2K5TTI4), UniProt , Accession A0A096MR52, Species PAPAN (Papio anubis, Olive baboon), Gene CISH, Length 258 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	41.3	Very low	37.5	Very low	245 Å²	245	155.6 Å²	155.6	100%	1.207	86%	0.862	S	S	*	*				0	105.2	0	-72.4	176.9	-164.8	0	0	107.3
2	V	34.9	Very low	37.1	Very low	128 Å²	128	156.2 Å²	156.2	78%	0.776	86%	0.861	S	S	*	*			trans	-103.2	124.6	-179.5	178.8	0	0	0	0	105.8
3	L	40	Very low	36.6	Very low	173 Å²	173	151.8 Å²	151.8	91%	0.906	86%	0.858	S	S	*	*			trans	-107.5	95.8	169	-77.5	169.5	0	0	0	108.4
4	C	33.8	Very low	36.5	Very low	106 Å²	106	150.2 Å²	150.2	72%	0.716	85%	0.853	S	S	*	*			trans	-70.9	138	158.3	-66.9	0	0	0	0	109.1
5	V	37.9	Very low	36.3	Very low	148 Å²	148	152.4 Å²	152.4	90%	0.897	85%	0.853	S	S	*	*			trans	-133.5	125.2	153.8	-164.7	0	0	0	0	107.8
6	Q	34.4	Very low	36.3	Very low	190 Å²	190	157.6 Å²	157.6	89%	0.888	86%	0.855	S	S	*	*			trans	-119.5	128	-170.3	-170.3	171.7	28.6	0	0	108.9
7	G	35.3	Very low	36.3	Very low	71 Å²	71	156.1 Å²	156.1	73%	0.732	85%	0.852	S	S	*	*			trans	85.1	161.8	151.8	0	0	0	0	0	118.4
8	P	42.7	Very low	36.2	Very low	131 Å²	131	151.6 Å²	151.6	85%	0.851	85%	0.848	S	S	*	*			cis	-131.1	156.2	13.5	35.5	-16	0	0	0	116.5
9	R	34.7	Very low	36.3	Very low	240 Å²	240	153.8 Å²	153.8	91%	0.906	85%	0.851	S	S	*	*			trans	-86.7	176	153.3	-75.5	179.5	165.7	161.1	-4	108.3
10	P	44.8	Very low	36.5	Very low	112 Å²	112	157.9 Å²	157.9	73%	0.727	85%	0.853	S	S	*	*			cis	-136.8	-176.5	6.8	32.8	-9.8	0	0	0	113.7
11	L	32.3	Very low	36.6	Very low	168 Å²	168	155.2 Å²	155.2	88%	0.88	84%	0.844	S	S	*	*				-177.4	146	124.6	-93	176.2	0	0	0	112.4
12	L	32.6	Very low	36.4	Very low	162 Å²	162	152.2 Å²	152.2	85%	0.848	83%	0.832	S	S	*	*			trans	-65.2	145.4	-178.9	-72.1	149.6	0	0	0	113.4
13	A	31	Very low	36.6	Very low	99 Å²	99	156.4 Å²	156.4	82%	0.818	83%	0.834	S	S	*	*			trans	-160.1	121.4	136.7	0	0	0	0	0	110.5
14	V	34.8	Very low	36.4	Very low	130 Å²	130	152.4 Å²	152.4	79%	0.788	83%	0.825	S	S	*	*			trans	-76	127	162.5	161.5	0	0	0	0	107.2
15	E	33.4	Very low	36.4	Very low	183 Å²	183	156.2 Å²	156.2	86%	0.855	83%	0.833	S	S	*	*			trans	-140.4	123.9	153.7	-81.8	-150.4	109.8	0	0	111.2
16	R	36.9	Very low	36.2	Very low	235 Å²	235	155.1 Å²	155.1	89%	0.887	83%	0.832	S	S	*	*			trans	-85.8	124.7	166.9	-77.2	177.4	161.4	177.7	-4.6	107.7
17	T	35.7	Very low	36.2	Very low	132 Å²	132	153 Å²	153	81%	0.81	83%	0.826	S	S	*	*			trans	-153.9	111.7	155.3	39	0	0	0	0	109.1
18	G	34.5	Very low	36.1	Very low	75 Å²	75	157.3 Å²	157.3	77%	0.773	83%	0.827	S	S	*	*			trans	-80.5	139	163	0	0	0	0	0	109.7
19	Q	38.8	Very low	35.6	Very low	194 Å²	194	159.3 Å²	159.3	91%	0.907	83%	0.829	S	S	*	*			trans	-150.8	139.2	148.1	-76.3	-153	-0.9	0	0	109.9
20	R	41.2	Very low	35.4	Very low	235 Å²	235	155.2 Å²	155.2	89%	0.887	83%	0.825	S	S	*	*			trans	-77.5	149.3	178.6	-68.5	173.3	169.7	179.9	-4.6	110.4
21	P	37.3	Very low	34.7	Very low	102 Å²	102	159.1 Å²	159.1	66%	0.662	83%	0.833	S	S	*	*			trans	-74.8	145.8	179.6	24.7	-29.1	0	0	0	115	W23	P21-W23 PolarHBondContact O-N 3.11Å; P21-W23 VanDerWaalsContact O-N 3.11Å
22	L	37.3	Very low	34.7	Very low	182 Å²	182	156.5 Å²	156.5	95%	0.953	82%	0.824	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	45.7	-168.1	-105.6	134.8	0	0	0	116.4
23	W	38.5	Very low	34.7	Very low	217 Å²	217	154.7 Å²	154.7	82%	0.822	82%	0.82	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.7	2.3	172.5	70.9	-88	0	0	0	114.4	P21 Q25	P21-W23 PolarHBondContact O-N 3.11Å; P21-W23 VanDerWaalsContact O-N 3.11Å; W23-Q25 VanDerWaalsContact C-N 3.34Å; W23-Q25 PolarHBondContact O-N 3.38Å
24	A	36.2	Very low	34.9	Very low	88 Å²	88	158.4 Å²	158.4	73%	0.727	82%	0.822	S	S	*	*	S	Bend	trans	-89.5	22.3	-178.1	0	0	0	0	0	114.9
25	Q	35.2	Very low	35.3	Very low	186 Å²	186	160.8 Å²	160.8	87%	0.869	83%	0.825	S	S	*	*			trans	-138.6	79.4	176	-72.2	180	18.1	0	0	110.4	W23	W23-Q25 VanDerWaalsContact C-N 3.34Å; W23-Q25 PolarHBondContact O-N 3.38Å
26	S	33.5	Very low	35.7	Very low	125 Å²	125	157.6 Å²	157.6	87%	0.874	82%	0.82	S	S	*	*			trans	-161.6	75.7	151.1	-99.4	0	0	0	0	107.4
27	L	34.7	Very low	35.4	Very low	146 Å²	146	154.4 Å²	154.4	76%	0.764	82%	0.82	S	S	*	*			trans	-72.1	151.6	156.4	-101	151.7	0	0	0	108.2
28	E	33	Very low	35.7	Very low	161 Å²	161	153.6 Å²	153.6	75%	0.752	82%	0.817	S	S	*	*			trans	74.2	108.4	144	-70.5	173.4	-163.5	0	0	117.6
29	L	32.1	Very low	35.6	Very low	173 Å²	173	155.1 Å²	155.1	91%	0.906	82%	0.822	S	S	*	*				-174.2	99.4	120.2	-94.2	167	0	0	0	108.2
30	L	29.5	Very low	35.2	Very low	155 Å²	155	149.8 Å²	149.8	81%	0.812	82%	0.819	S	S	*	*				171.8	82	117.1	-161.3	66.4	0	0	0	109.5
31	E	31.5	Very low	34.6	Very low	194 Å²	194	142.6 Å²	142.6	91%	0.907	81%	0.81	S	S	*	*			trans	-74	127.5	157.2	-75.7	-170.2	137.2	0	0	108.6
32	T	31.1	Very low	34.1	Very low	112 Å²	112	146.5 Å²	146.5	69%	0.687	82%	0.817	S	S	*	*			trans	-145.3	99.5	159.8	-66.9	0	0	0	0	108.9
33	V	32.1	Very low	33.7	Very low	124 Å²	124	143.6 Å²	143.6	75%	0.752	80%	0.801	S	S	*	*			trans	61.8	111	135.2	-175.6	0	0	0	0	118
34	M	35.1	Very low	33.5	Very low	177 Å²	177	140.9 Å²	140.9	87%	0.872	80%	0.798	S	S	*	*				-169.3	134	115.7	-81.2	-118.7	70.7	0	0	110.2
35	Q	43.7	Very low	33.3	Very low	180 Å²	180	144.3 Å²	144.3	84%	0.841	80%	0.799	S	S	*	*			trans	-76.3	161.2	-174.6	-65.6	-179.9	-44.8	0	0	114
36	P	43	Very low	33	Very low	117 Å²	117	141.1 Å²	141.1	76%	0.76	79%	0.792	S	S	*	*			trans	-104.9	161.4	170.7	38.5	-29.4	0	0	0	113.5
37	L	29	Very low	33	Very low	167 Å²	167	140 Å²	140	87%	0.874	79%	0.79	S	S	*	*			trans	160.4	159.9	145.9	-86.5	160.5	0	0	0	110.5
38	P	42.4	Very low	32.8	Very low	116 Å²	116	142.5 Å²	142.5	75%	0.753	80%	0.798	S	S	*	*			cis	-130.5	-177.5	-43.1	33	-13.3	0	0	0	113.5
39	A	33.1	Very low	32.7	Very low	106 Å²	106	137.9 Å²	137.9	88%	0.876	79%	0.794	S	S	*	*			trans	-50.8	140.5	-175.8	0	0	0	0	0	117.8
40	G	29.4	Very low	32.7	Very low	82 Å²	82	136.4 Å²	136.4	85%	0.845	79%	0.792	S	S	*	*			trans	-126.7	112.8	156.1	0	0	0	0	0	109
41	A	30.1	Very low	33.5	Very low	84 Å²	84	134.7 Å²	134.7	69%	0.694	79%	0.79	S	S	*	*			trans	-85.8	145.9	169.4	0	0	0	0	0	109.6
42	F	25.5	Very low	33.7	Very low	184 Å²	184	129.9 Å²	129.9	81%	0.807	78%	0.784	S	S	*	*				157.2	127.5	124.7	-100.8	-110.5	0	0	0	113.5
43	L	28.8	Very low	33.7	Very low	121 Å²	121	132.6 Å²	132.6	63%	0.634	79%	0.788	S	S	*	*			trans	61.5	118.1	139.3	-65.1	-176.8	0	0	0	121.2
44	E	33.8	Very low	34.2	Very low	160 Å²	160	134.8 Å²	134.8	75%	0.748	79%	0.794	S	S	*	*				73.4	139	105.4	-79.9	-175.6	141.6	0	0	112.3
45	E	32.2	Very low	34.2	Very low	160 Å²	160	133.9 Å²	133.9	75%	0.748	79%	0.788	S	S	*	*			cis	-175.2	164.3	30.5	-135.9	-163.9	139	0	0	108.6
46	V	29.8	Very low	34.2	Very low	119 Å²	119	130.4 Å²	130.4	72%	0.721	78%	0.783	S	S	*	*			trans	68.6	114.8	149	-176.1	0	0	0	0	120.4
47	A	32.8	Very low	33.8	Very low	102 Å²	102	133 Å²	133	84%	0.843	79%	0.785	S	S	*	*				-170.8	129.1	113.6	0	0	0	0	0	112
48	E	31.3	Very low	34.7	Very low	198 Å²	198	130.6 Å²	130.6	93%	0.925	78%	0.78	S	S	*	*			trans	-89.5	144.4	-177.6	-176.7	176.2	-178.3	0	0	111.8
49	G	30.6	Very low	35.2	Very low	65 Å²	65	133.2 Å²	133.2	67%	0.67	78%	0.779	S	S	*	*			trans	107.2	111.2	143.7	0	0	0	0	0	118.8
50	T	31.7	Very low	36.3	Very low	142 Å²	142	135.1 Å²	135.1	87%	0.871	78%	0.78	S	S	*	*				157.1	141.2	119.5	-61.3	0	0	0	0	110.5
51	P	47	Very low	37.8	Very low	119 Å²	119	134.1 Å²	134.1	77%	0.773	76%	0.755	S	S	*	*			trans	-100.9	174.5	-152	39.1	-32.5	0	0	0	114.4
52	A	35.3	Very low	40.3	Very low	92 Å²	92	133.5 Å²	133.5	76%	0.76	74%	0.74	S	S	*	*			trans	87.4	87.6	165	0	0	0	0	0	116.2
53	Q	31.7	Very low	43.2	Very low	169 Å²	169	129 Å²	129	79%	0.79	73%	0.729	S	S	*	*				-145.6	115	121.1	-101	159.6	-5.7	0	0	106.5	E55	Q53-E55 HydrophobicContact CB-CG 4.28Å; Q53-E55 PolarHBondContact O-N 3.12Å
54	I	41.2	Very low	46.1	Very low	171 Å²	171	129.5 Å²	129.5	88%	0.877	73%	0.728	S	S	*	*			trans	-66.8	83.5	156	-64.4	167	0	0	0	103.3	S56	I54-S56 VanDerWaalsContact C-N 3.28Å; I54-S56 PolarHBondContact O-N 2.88Å
55	E	36.4	Very low	48.7	Very low	157 Å²	157	127.6 Å²	127.6	73%	0.734	72%	0.719	S	S	*	*			trans	-59.2	105.8	156.2	-68.3	-174.6	156.1	0	0	103.7	Q53 E57	Q53-E55 HydrophobicContact CB-CG 4.28Å; Q53-E55 PolarHBondContact O-N 3.12Å; E55-E57 VanDerWaalsContact C-N 3.32Å; E55-E57 PolarHBondContact O-N 3.24Å
56	S	43.9	Very low	51.5	Low	107 Å²	107	121.3 Å²	121.3	75%	0.748	69%	0.691	S	S	*	*			trans	-51	107.6	164.4	48.4	0	0	0	0	105.7	I54	I54-S56 VanDerWaalsContact C-N 3.28Å; I54-S56 PolarHBondContact O-N 2.88Å
57	E	32.8	Very low	54.4	Low	171 Å²	171	121.4 Å²	121.4	80%	0.799	69%	0.687	S	S	*	*			trans	-41.6	132.2	174.1	-73.3	-173.2	139.2	0	0	107.7	E55 K59	E55-E57 VanDerWaalsContact C-N 3.32Å; E55-E57 PolarHBondContact O-N 3.24Å; E57-K59 VanDerWaalsContact C-N 3.27Å; E57-K59 PolarHBondContact O-N 3.13Å
58	P	48.9	Very low	57.2	Low	118 Å²	118	121.8 Å²	121.8	77%	0.766	67%	0.674	S	S	*	*			trans	-59.3	104.5	167.7	24.7	-29	0	0	0	105.1	V60	P58-V60 PolarHBondContact O-N 2.84Å
59	K	53.1	Low	60.1	Low	170 Å²	170	113.6 Å²	113.6	74%	0.739	64%	0.638	S	S	*	*			trans	-49.6	116.9	165.8	-93.9	177.6	176.8	174.2	0	104.3	E57 L61	E57-K59 VanDerWaalsContact C-N 3.27Å; E57-K59 PolarHBondContact O-N 3.13Å; K59-L61 PolarHBondContact O-N 3.13Å
60	V	55.5	Low	63.1	Low	147 Å²	147	112.6 Å²	112.6	89%	0.891	62%	0.617	S	S	*	*			trans	-63.9	87.5	170.7	-179.8	0	0	0	0	104.6	P58 D62	P58-V60 PolarHBondContact O-N 2.84Å; V60-D62 PolarHBondContact O-N 3.11Å
61	L	61.3	Low	66.1	Low	60 Å²	60	108.4 Å²	108.4	31%	0.314	60%	0.597	S	S	.	*			trans	-63.9	123.1	176.7	-72.6	164.3	0	0	0	105.6	K59 P63	K59-L61 PolarHBondContact O-N 3.13Å; L61-P63 WeakPolarHBondContact O-CD 3.47Å; L61-P63 VanDerWaalsContact O-N 3.16Å
62	D	82.9	Confident	68.3	Low	71 Å²	71	108.4 Å²	108.4	38%	0.38	59%	0.585	S	S	.	*			trans	-64.9	113.2	172.2	-174.6	-7.8	0	0	0	107.4	V60 E64 E65 D66	V60-D62 PolarHBondContact O-N 3.11Å; D62-E64 PolarHBondContact O-N 2.62Å; D62-E64 VanDerWaalsContact O-N 3.08Å; D62-E64 WeakPolarHBondContact OD1-CB 3.45Å; D62-E64 PolarHBondContact OD1-N 3.04Å; D62-E65 HydrophobicContact CB-CB 4.21Å; D62-E65 HydrophobicContact CB-CG 3.9Å; D62-E65 PolarHBondContact O-N 3.45Å; D62-D66 PolarHBondContact O-N 2.76Å
63	P	86.3	Confident	71.1	Confident	90 Å²	90	104.1 Å²	104.1	58%	0.584	55%	0.549	S	S	*	.	H	α-helix	trans	-58.4	-25.6	-179.2	-21.8	34.2	0	0	0	112.1	L61 L67	L61-P63 WeakPolarHBondContact O-CD 3.47Å; L61-P63 VanDerWaalsContact O-N 3.16Å; P63-L67 VanDerWaalsContact O-CG 3.22Å; P63-L67 WeakPolarHBondContact O-CG 3.45Å; P63-L67 PolarHBondContact O-N 2.9Å; P63-L67 VanDerWaalsContact O-N 3.12Å
64	E	89.5	Confident	74	Confident	131 Å²	131	99.9 Å²	99.9	61%	0.612	53%	0.528	S	S	*	.	H	α-helix	trans	-68.4	-42.6	177.1	-171.4	170.3	-179.5	0	0	111.9	D62 D66 L67 L68	D62-E64 PolarHBondContact O-N 2.62Å; D62-E64 VanDerWaalsContact O-N 3.08Å; D62-E64 WeakPolarHBondContact OD1-CB 3.45Å; D62-E64 PolarHBondContact OD1-N 3.04Å; E64-D66 VanDerWaalsContact C-N 3.34Å; E64-D66 PolarHBondContact O-N 3.49Å; E64-L67 PolarHBondContact O-N 3.15Å; E64-L68 HydrophobicContact CG-CD1 4.28Å; E64-L68 WeakPolarHBondContact O-CB 3.5Å; E64-L68 VanDerWaalsContact O-CG 3.29Å; E64-L68 WeakPolarHBondContact O-CG 3.22Å; E64-L68 PolarHBondContact O-N 3.24Å
65	E	88.8	Confident	76.5	Confident	120 Å²	120	94.2 Å²	94.2	56%	0.561	50%	0.504	S	S	*	.	H	α-helix	trans	-64.2	-40.3	177.5	-68.3	-173.4	155.3	0	0	111.6	D62 L68 C69	D62-E65 HydrophobicContact CB-CB 4.21Å; D62-E65 HydrophobicContact CB-CG 3.9Å; D62-E65 PolarHBondContact O-N 3.45Å; E65-L68 PolarHBondContact O-N 3.4Å; E65-C69 WeakPolarHBondContact O-CB 3.31Å; E65-C69 PolarHBondContact O-N 3.28Å
66	D	90.6	Very high	79.3	Confident	29 Å²	29	88 Å²	88	16%	0.155	47%	0.474	C	S	.	.	H	α-helix	trans	-64.3	-45.2	177.1	-81.8	-5.8	0	0	0	111.6	D62 E64 L68 C69 I70 Y133 S136	D62-D66 PolarHBondContact O-N 2.76Å; E64-D66 VanDerWaalsContact C-N 3.34Å; E64-D66 PolarHBondContact O-N 3.49Å; D66-L68 VanDerWaalsContact C-N 3.33Å; D66-L68 PolarHBondContact O-N 3Å; D66-C69 WeakPolarHBondContact O-CB 3.46Å; D66-C69 PolarHBondContact O-N 3.47Å; D66-I70 WeakPolarHBondContact O-CD1 3.49Å; D66-I70 VanDerWaalsContact O-CG1 3.26Å; D66-I70 WeakPolarHBondContact O-CG1 3.38Å; D66-I70 PolarHBondContact O-N 3.01Å; D66-Y133 VanDerWaalsContact CA-OH 3.29Å; D66-Y133 WeakPolarHBondContact CA-OH 3.48Å; D66-Y133 HydrophobicContact CB-CE1 4.27Å; D66-Y133 WeakPolarHBondContact CB-OH 3.35Å; D66-Y133 PolarHBondContact O-OH 2.88Å; D66-Y133 PolarHBondContact OD1-OH 3.27Å; D66-Y133 VanDerWaalsContact OD1-OH 3.07Å; D66-S136 WeakPolarHBondContact OD1-CB 3.38Å; D66-S136 PolarHBondContact OD1-OG 2.99Å
67	L	91.4	Very high	81.6	Confident	121 Å²	121	82.9 Å²	82.9	63%	0.634	44%	0.438	S	S	*	.	H	α-helix	trans	-60.4	-43	175.7	-72.9	173.7	0	0	0	111.6	P63 E64 I70 A71	P63-L67 VanDerWaalsContact O-CG 3.22Å; P63-L67 WeakPolarHBondContact O-CG 3.45Å; P63-L67 PolarHBondContact O-N 2.9Å; P63-L67 VanDerWaalsContact O-N 3.12Å; E64-L67 PolarHBondContact O-N 3.15Å; L67-I70 PolarHBondContact O-N 3.33Å; L67-A71 WeakPolarHBondContact O-CB 3.39Å; L67-A71 PolarHBondContact O-N 3.4Å
68	L	92.1	Very high	84.4	Confident	110 Å²	110	82.6 Å²	82.6	58%	0.576	43%	0.43	S	S	*	.	H	α-helix	trans	-63.4	-42.9	176.2	-73.1	170	0	0	0	111.7	E64 E65 D66 A71 K72	E64-L68 HydrophobicContact CG-CD1 4.28Å; E64-L68 WeakPolarHBondContact O-CB 3.5Å; E64-L68 VanDerWaalsContact O-CG 3.29Å; E64-L68 WeakPolarHBondContact O-CG 3.22Å; E64-L68 PolarHBondContact O-N 3.24Å; E65-L68 PolarHBondContact O-N 3.4Å; D66-L68 VanDerWaalsContact C-N 3.33Å; D66-L68 PolarHBondContact O-N 3Å; L68-A71 PolarHBondContact O-N 3.06Å; L68-K72 WeakPolarHBondContact O-CB 3.39Å; L68-K72 PolarHBondContact O-N 3.29Å
69	C	91.8	Very high	86.3	Confident	25 Å²	25	80.4 Å²	80.4	17%	0.169	41%	0.409	C	S	.	.	H	α-helix	trans	-61.3	-47.4	177.6	-179.5	0	0	0	0	111.8	E65 D66 K72 T73 P154	E65-C69 WeakPolarHBondContact O-CB 3.31Å; E65-C69 PolarHBondContact O-N 3.28Å; D66-C69 WeakPolarHBondContact O-CB 3.46Å; D66-C69 PolarHBondContact O-N 3.47Å; C69-K72 PolarHBondContact O-N 3.13Å; C69-T73 WeakPolarHBondContact O-CB 3.49Å; C69-T73 PolarHBondContact O-N 2.93Å; C69-T73 PolarHBondContact O-OG1 3.18Å; C69-P154 PolarHBondContact SG-O 2.89Å; C69-P154 VanDerWaalsContact SG-O 3.35Å
70	I	93.1	Very high	88.1	Confident	44 Å²	44	72.3 Å²	72.3	23%	0.226	37%	0.374	C	S	.	.	H	α-helix	trans	-64.8	-46	178.1	-65.1	163.1	0	0	0	110.4	D66 L67 K72 T73 F74 L115 Y133 F138	D66-I70 WeakPolarHBondContact O-CD1 3.49Å; D66-I70 VanDerWaalsContact O-CG1 3.26Å; D66-I70 WeakPolarHBondContact O-CG1 3.38Å; D66-I70 PolarHBondContact O-N 3.01Å; L67-I70 PolarHBondContact O-N 3.33Å; I70-K72 PolarHBondContact O-N 3.12Å; I70-T73 WeakPolarHBondContact O-CB 3.29Å; I70-T73 PolarHBondContact O-N 3.2Å; I70-F74 WeakPolarHBondContact O-CB 3.41Å; I70-F74 PolarHBondContact O-N 3.16Å; I70-L115 HydrophobicContact CD1-CD1 3.86Å; I70-L115 HydrophobicContact CG1-CD1 4.01Å; I70-L115 HydrophobicContact CG2-CD1 4.04Å; I70-Y133 HydrophobicContact CD1-CD1 4.22Å; I70-Y133 HydrophobicContact CD1-CE1 3.77Å; I70-Y133 HydrophobicContact CG1-CE1 4.05Å; I70-Y133 HydrophobicContact CG1-CE2 4.25Å; I70-F138 HydrophobicContact CG1-CZ 4.44Å
71	A	93.6	Very high	89.8	Confident	55 Å²	55	65.5 Å²	65.5	46%	0.455	33%	0.334	S	S	.	.	H	α-helix	trans	-62.8	-40.6	179.8	0	0	0	0	0	112.5	L67 L68 F74 S75	L67-A71 WeakPolarHBondContact O-CB 3.39Å; L67-A71 PolarHBondContact O-N 3.4Å; L68-A71 PolarHBondContact O-N 3.06Å; A71-F74 PolarHBondContact O-N 3.05Å; A71-S75 PolarHBondContact O-N 3.23Å; A71-S75 PolarHBondContact O-OG 3.2Å
72	K	93.3	Very high	91.3	Very high	119 Å²	119	62.7 Å²	62.7	52%	0.517	32%	0.319	S	S	.	.	H	α-helix	trans	-62.7	-47.5	174.2	-175.9	178.9	-179.1	-176.5	0	111.1	L68 C69 I70 F74 S75 Y76	L68-K72 WeakPolarHBondContact O-CB 3.39Å; L68-K72 PolarHBondContact O-N 3.29Å; C69-K72 PolarHBondContact O-N 3.13Å; I70-K72 PolarHBondContact O-N 3.12Å; K72-F74 VanDerWaalsContact C-N 3.3Å; K72-F74 PolarHBondContact O-N 2.97Å; K72-S75 WeakPolarHBondContact O-CB 3.08Å; K72-S75 PolarHBondContact O-N 3.33Å; K72-S75 VanDerWaalsContact O-N 3.14Å; K72-Y76 HydrophobicContact CD-CE2 4.18Å; K72-Y76 VanDerWaalsContact CE-CZ 3.48Å; K72-Y76 WeakPolarHBondContact CE-OH 3.4Å; K72-Y76 HydrophobicContact CG-CD2 4.32Å; K72-Y76 HydrophobicContact CG-CE1 4.32Å; K72-Y76 HydrophobicContact CG-CE2 3.69Å; K72-Y76 PolarHBondContact O-N 3.33Å
73	T	94.4	Very high	91.8	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.006	31%	0.306	C	S	.	.	H	α-helix	trans	-58.5	-42.4	175.7	-64.6	0	0	0	0	111.7	C69 I70 S75 Y76 L77 F116 F138 V156	C69-T73 WeakPolarHBondContact O-CB 3.49Å; C69-T73 PolarHBondContact O-N 2.93Å; C69-T73 PolarHBondContact O-OG1 3.18Å; I70-T73 WeakPolarHBondContact O-CB 3.29Å; I70-T73 PolarHBondContact O-N 3.2Å; T73-S75 VanDerWaalsContact C-N 3.33Å; T73-S75 PolarHBondContact O-N 3.4Å; T73-Y76 PolarHBondContact O-N 2.67Å; T73-L77 HydrophobicContact CG2-CD1 4.12Å; T73-L77 HydrophobicContact CG2-CG 4.47Å; T73-L77 WeakPolarHBondContact O-CG 3.05Å; T73-L77 PolarHBondContact O-N 2.97Å; T73-F116 HydrophobicContact CG2-CE2 4.24Å; T73-F138 HydrophobicContact CG2-CE1 4.48Å; T73-F138 HydrophobicContact CG2-CE2 4.04Å; T73-F138 HydrophobicContact CG2-CZ 3.91Å; T73-F138 VanDerWaalsContact OG1-CE2 3.28Å; T73-F138 WeakPolarHBondContact OG1-CE2 3.32Å; T73-V156 HydrophobicContact CG2-CB 3.79Å; T73-V156 HydrophobicContact CG2-CG2 3.62Å
74	F	94.1	Very high	92.1	Very high	81 Å²	81	57.7 Å²	57.7	36%	0.355	28%	0.283	S	S	.	.	H	α-helix	trans	-62.3	-40.9	176.8	-161.6	-99.7	0	0	0	112	I70 A71 K72 Y76 L77 R78 Y83 F116	I70-F74 WeakPolarHBondContact O-CB 3.41Å; I70-F74 PolarHBondContact O-N 3.16Å; A71-F74 PolarHBondContact O-N 3.05Å; K72-F74 VanDerWaalsContact C-N 3.3Å; K72-F74 PolarHBondContact O-N 2.97Å; F74-Y76 PolarHBondContact O-N 3.17Å; F74-L77 PolarHBondContact O-N 3.26Å; F74-R78 HydrophobicContact CD1-CG 4.16Å; F74-R78 VanDerWaalsContact CE1-CD 3.48Å; F74-R78 HydrophobicContact CE1-CG 4.08Å; F74-R78 WeakPolarHBondContact O-CG 3.28Å; F74-R78 PolarHBondContact O-N 3.14Å; F74-Y83 HydrophobicContact CE2-CE1 4.01Å; F74-Y83 AromaticContact CE2-CZ 3.74Å; F74-Y83 WeakPolarHBondContact CE2-OH 3.22Å; F74-Y83 HydrophobicContact CZ-CE1 4.01Å; F74-F116 HydrophobicContact CD2-CE1 4.05Å; F74-F116 HydrophobicContact CD2-CZ 4.08Å; F74-F116 HydrophobicContact CE2-CE1 4.42Å
75	S	93.3	Very high	92.3	Very high	51 Å²	51	52.1 Å²	52.1	36%	0.357	26%	0.261	S	S	.	.	H	α-helix	trans	-61.4	-44.5	176	-58.9	0	0	0	0	111.3	A71 K72 T73 R78 E79	A71-S75 PolarHBondContact O-N 3.23Å; A71-S75 PolarHBondContact O-OG 3.2Å; K72-S75 WeakPolarHBondContact O-CB 3.08Å; K72-S75 PolarHBondContact O-N 3.33Å; K72-S75 VanDerWaalsContact O-N 3.14Å; T73-S75 VanDerWaalsContact C-N 3.33Å; T73-S75 PolarHBondContact O-N 3.4Å; S75-R78 PolarHBondContact O-N 3.02Å; S75-E79 WeakPolarHBondContact O-CG 3.5Å; S75-E79 PolarHBondContact O-N 3.49Å
76	Y	94.1	Very high	92.5	Very high	26 Å²	26	51.4 Å²	51.4	10%	0.102	27%	0.269	C	S	.	.	H	α-helix	trans	-62.8	-46.2	175.1	-61.1	-23	0	0	0	112.5	K72 T73 F74 R78 E79 S80 D155 Q253 Y254 F256	K72-Y76 HydrophobicContact CD-CE2 4.18Å; K72-Y76 VanDerWaalsContact CE-CZ 3.48Å; K72-Y76 WeakPolarHBondContact CE-OH 3.4Å; K72-Y76 HydrophobicContact CG-CD2 4.32Å; K72-Y76 HydrophobicContact CG-CE1 4.32Å; K72-Y76 HydrophobicContact CG-CE2 3.69Å; K72-Y76 PolarHBondContact O-N 3.33Å; T73-Y76 PolarHBondContact O-N 2.67Å; F74-Y76 PolarHBondContact O-N 3.17Å; Y76-R78 VanDerWaalsContact C-N 3.29Å; Y76-R78 PolarHBondContact O-N 2.78Å; Y76-E79 PolarHBondContact O-N 3.39Å; Y76-S80 WeakPolarHBondContact O-CB 3.49Å; Y76-S80 PolarHBondContact O-N 2.79Å; Y76-D155 HydrophobicContact CD2-CB 4.39Å; Y76-Q253 WeakPolarHBondContact CE1-O 3.47Å; Y76-Y254 HydrophobicContact CD1-CD2 4.22Å; Y76-Y254 WeakPolarHBondContact O-CE2 3.4Å; Y76-F256 AromaticContact CD1-CE2 3.96Å; Y76-F256 HydrophobicContact CD1-CE2 3.96Å; Y76-F256 AromaticContact CD2-CE2 3.43Å; Y76-F256 HydrophobicContact CD2-CE2 3.43Å; Y76-F256 VanDerWaalsContact CD2-CE2 3.43Å; Y76-F256 AromaticContact CD2-CZ 3.46Å; Y76-F256 HydrophobicContact CD2-CZ 3.46Å; Y76-F256 VanDerWaalsContact CD2-CZ 3.46Å; Y76-F256 HydrophobicContact CE1-CE2 4.24Å; Y76-F256 AromaticContact CE2-CE2 3.71Å; Y76-F256 HydrophobicContact CE2-CE2 3.71Å; Y76-F256 AromaticContact CE2-CZ 3.56Å; Y76-F256 HydrophobicContact CE2-CZ 3.56Å; Y76-F256 AromaticContact CG-CE2 3.53Å; Y76-F256 HydrophobicContact CG-CE2 3.53Å; Y76-F256 HydrophobicContact CG-CZ 4.07Å
77	L	93.3	Very high	92.7	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-59.3	-40.2	176.8	-74.8	173.5	0	0	0	112.2	T73 F74 S80 W82 Y83 V106 F116 V156 V157	T73-L77 HydrophobicContact CG2-CD1 4.12Å; T73-L77 HydrophobicContact CG2-CG 4.47Å; T73-L77 WeakPolarHBondContact O-CG 3.05Å; T73-L77 PolarHBondContact O-N 2.97Å; F74-L77 PolarHBondContact O-N 3.26Å; L77-S80 PolarHBondContact O-N 3.24Å; L77-S80 PolarHBondContact O-OG 3.14Å; L77-W82 HydrophobicContact CD2-CE3 4.49Å; L77-W82 HydrophobicContact CD2-CH2 3.8Å; L77-W82 HydrophobicContact CD2-CZ3 3.56Å; L77-Y83 HydrophobicContact CB-CD1 4.41Å; L77-Y83 HydrophobicContact CB-CD2 4.25Å; L77-Y83 HydrophobicContact CB-CG 3.97Å; L77-Y83 HydrophobicContact CD1-CD2 4.43Å; L77-Y83 WeakPolarHBondContact O-CB 3.48Å; L77-V106 HydrophobicContact CD1-CG1 4.36Å; L77-V106 HydrophobicContact CD2-CB 4.32Å; L77-V106 HydrophobicContact CD2-CG1 4.14Å; L77-F116 HydrophobicContact CD1-CD1 3.99Å; L77-F116 HydrophobicContact CD1-CD2 4.44Å; L77-F116 HydrophobicContact CD1-CE1 3.7Å; L77-F116 HydrophobicContact CD1-CE2 4.19Å; L77-F116 HydrophobicContact CD1-CG 4.35Å; L77-F116 HydrophobicContact CD1-CZ 3.82Å; L77-V156 HydrophobicContact CD1-CB 4.36Å; L77-V156 HydrophobicContact CD1-CG1 4.43Å; L77-V156 HydrophobicContact CD2-CB 4.32Å; L77-V156 HydrophobicContact CD2-CG1 3.95Å; L77-V157 HydrophobicContact CD2-CG2 4.13Å; L77-V157 HydrophobicContact CG-CG2 4.47Å
78	R	90.6	Very high	92.8	Very high	166 Å²	166	48.4 Å²	48.4	63%	0.626	26%	0.256	S	S	*	.	H	α-helix	trans	-65.6	-42.2	176.1	-73.9	-177.2	66.6	-125	0.5	112.5	F74 S75 Y76 S80 Y83	F74-R78 HydrophobicContact CD1-CG 4.16Å; F74-R78 VanDerWaalsContact CE1-CD 3.48Å; F74-R78 HydrophobicContact CE1-CG 4.08Å; F74-R78 WeakPolarHBondContact O-CG 3.28Å; F74-R78 PolarHBondContact O-N 3.14Å; S75-R78 PolarHBondContact O-N 3.02Å; Y76-R78 VanDerWaalsContact C-N 3.29Å; Y76-R78 PolarHBondContact O-N 2.78Å; R78-S80 VanDerWaalsContact C-N 3.29Å; R78-S80 PolarHBondContact O-N 3.36Å; R78-Y83 HydrophobicContact CG-CD1 4.17Å; R78-Y83 HydrophobicContact CG-CE1 4.33Å
79	E	90.4	Very high	92.9	Very high	71 Å²	71	44.1 Å²	44.1	33%	0.332	24%	0.236	S	C	.	.	H	α-helix	trans	-69.7	-27.5	177.8	-73.5	-176.2	-136.9	0	0	112.8	S75 Y76 G81 H225 R228 Y254	S75-E79 WeakPolarHBondContact O-CG 3.5Å; S75-E79 PolarHBondContact O-N 3.49Å; Y76-E79 PolarHBondContact O-N 3.39Å; E79-G81 VanDerWaalsContact C-N 3.28Å; E79-G81 PolarHBondContact O-N 3.09Å; E79-H225 PolarHBondContact O-CE1 2.89Å; E79-H225 PolarHBondContact O-NE2 3.46Å; E79-R228 IonicContact OE2-CZ 3.04Å; E79-R228 IonicContact OE2-NH1 2.67Å; E79-R228 PolarHBondContact OE2-NH1 3.08Å; E79-R228 IonicContact OE2-NH2 3.42Å; E79-R228 PolarHBondContact OE2-NH2 3.28Å; E79-Y254 HydrophobicContact CB-CD2 3.94Å; E79-Y254 HydrophobicContact CB-CE2 4.05Å
80	S	90.5	Very high	93	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-65.4	-30.7	180	89.6	0	0	0	0	112.5	Y76 L77 R78 W82 R221 Y254	Y76-S80 WeakPolarHBondContact O-CB 3.49Å; Y76-S80 PolarHBondContact O-N 2.79Å; L77-S80 PolarHBondContact O-N 3.24Å; L77-S80 PolarHBondContact O-OG 3.14Å; R78-S80 VanDerWaalsContact C-N 3.29Å; R78-S80 PolarHBondContact O-N 3.36Å; S80-W82 VanDerWaalsContact CB-NE1 3.32Å; S80-W82 VanDerWaalsContact O-CD1 3.31Å; S80-W82 PolarHBondContact O-N 2.96Å; S80-W82 PolarHBondContact OG-N 3.47Å; S80-W82 PolarHBondContact OG-NE1 3.31Å; S80-R221 PolarHBondContact O-NE 3.37Å; S80-R221 PolarHBondContact O-NH2 3.3Å; S80-Y254 WeakPolarHBondContact CA-OH 3.48Å; S80-Y254 WeakPolarHBondContact CB-OH 3.49Å
81	G	90.1	Very high	93.1	Very high	5 Å²	5	48.6 Å²	48.6	5%	0.052	26%	0.262	C	S	.	.	S	Bend	trans	75.8	-0.2	177.8	0	0	0	0	0	115.6	E79 V215 R216	E79-G81 VanDerWaalsContact C-N 3.28Å; E79-G81 PolarHBondContact O-N 3.09Å; G81-V215 WeakPolarHBondContact O-CA 3.4Å; G81-V215 WeakPolarHBondContact O-CG1 3.18Å; G81-R216 PolarHBondContact O-N 2.93Å
82	W	92.5	Very high	93.2	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.241	C	C	.	.			trans	-108.3	10.6	170.4	46	-100.9	0	0	0	113.1	L77 S80 F104 V106 V157 V160 P213 L258	L77-W82 HydrophobicContact CD2-CE3 4.49Å; L77-W82 HydrophobicContact CD2-CH2 3.8Å; L77-W82 HydrophobicContact CD2-CZ3 3.56Å; S80-W82 VanDerWaalsContact CB-NE1 3.32Å; S80-W82 VanDerWaalsContact O-CD1 3.31Å; S80-W82 PolarHBondContact O-N 2.96Å; S80-W82 PolarHBondContact OG-N 3.47Å; S80-W82 PolarHBondContact OG-NE1 3.31Å; W82-F104 HydrophobicContact CD2-CE2 4.34Å; W82-F104 HydrophobicContact CE3-CE2 4.24Å; W82-V106 HydrophobicContact CE3-CB 4.16Å; W82-V106 HydrophobicContact CE3-CG2 4.01Å; W82-V106 HydrophobicContact CZ3-CB 3.94Å; W82-V106 HydrophobicContact CZ3-CG2 3.53Å; W82-V106 PolarHBondContact O-N 3.47Å; W82-V157 HydrophobicContact CH2-CB 4.49Å; W82-V157 HydrophobicContact CH2-CG1 4.42Å; W82-V157 HydrophobicContact CH2-CG2 4Å; W82-V157 HydrophobicContact CZ2-CG1 4.06Å; W82-V157 HydrophobicContact CZ2-CG2 4.24Å; W82-V160 HydrophobicContact CH2-CB 4.33Å; W82-V160 HydrophobicContact CH2-CG1 4.34Å; W82-V160 HydrophobicContact CH2-CG2 4.33Å; W82-V160 HydrophobicContact CZ3-CG2 4.5Å; W82-P213 HydrophobicContact CB-CB 3.59Å; W82-P213 HydrophobicContact CD2-CB 4.26Å; W82-P213 HydrophobicContact CG-CB 3.43Å; W82-P213 VanDerWaalsContact CG-CB 3.43Å; W82-L258 PolarHBondContact NE1-OXT 3.42Å
83	Y	94.1	Very high	93.2	Very high	28 Å²	28	46 Å²	46	11%	0.11	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-85.9	124.3	163.6	175.8	-115.7	0	0	0	110.4	F74 L77 R78 G85 V106 D108 F116	F74-Y83 HydrophobicContact CE2-CE1 4.01Å; F74-Y83 AromaticContact CE2-CZ 3.74Å; F74-Y83 WeakPolarHBondContact CE2-OH 3.22Å; F74-Y83 HydrophobicContact CZ-CE1 4.01Å; L77-Y83 HydrophobicContact CB-CD1 4.41Å; L77-Y83 HydrophobicContact CB-CD2 4.25Å; L77-Y83 HydrophobicContact CB-CG 3.97Å; L77-Y83 HydrophobicContact CD1-CD2 4.43Å; L77-Y83 WeakPolarHBondContact O-CB 3.48Å; R78-Y83 HydrophobicContact CG-CD1 4.17Å; R78-Y83 HydrophobicContact CG-CE1 4.33Å; Y83-G85 VanDerWaalsContact CZ-CA 3.48Å; Y83-V106 CarbonylContact C-O 3.27Å; Y83-V106 WeakPolarHBondContact CA-O 3.16Å; Y83-V106 HydrophobicContact CD2-CB 4.49Å; Y83-V106 HydrophobicContact CD2-CG1 4.15Å; Y83-D108 WeakPolarHBondContact CE2-OD1 3.41Å; Y83-D108 VanDerWaalsContact CZ-OD1 3.31Å; Y83-D108 PolarHBondContact OH-OD1 3.14Å; Y83-D108 PolarHBondContact OH-OD2 3.44Å; Y83-F116 HydrophobicContact CE2-CD1 4.33Å; Y83-F116 HydrophobicContact CE2-CE1 4.32Å
84	W	93.3	Very high	93.2	Very high	29 Å²	29	52.2 Å²	52.2	11%	0.11	27%	0.266	C	S	.	.			trans	-100.9	2	-175.2	-77.5	64	0	0	0	113.7	I87 H95 L105 V106 F214 R216	W84-I87 HydrophobicContact CB-CD1 3.51Å; W84-I87 HydrophobicContact CB-CG1 3.74Å; W84-I87 HydrophobicContact CB-CG2 4.32Å; W84-I87 HydrophobicContact CD2-CD1 4.2Å; W84-I87 HydrophobicContact CE3-CD1 4.04Å; W84-I87 HydrophobicContact CE3-CG2 4.4Å; W84-I87 HydrophobicContact CG-CD1 4.01Å; W84-H95 AromaticContact CZ3-CD2 3.89Å; W84-H95 AromaticContact CZ3-NE2 3.8Å; W84-L105 HydrophobicContact CB-CD1 4.35Å; W84-L105 HydrophobicContact CD2-CD2 4.43Å; W84-L105 HydrophobicContact CG-CB 4.41Å; W84-L105 HydrophobicContact CG-CD1 4.32Å; W84-L105 HydrophobicContact CG-CD2 4.34Å; W84-V106 PolarHBondContact N-O 3.49Å; W84-F214 AromaticContact CE2-CD1 3.6Å; W84-F214 AromaticContact CE2-CE1 3.83Å; W84-F214 HydrophobicContact CH2-CD1 4.04Å; W84-F214 AromaticContact CH2-CE1 3.36Å; W84-F214 HydrophobicContact CH2-CE1 3.36Å; W84-F214 HydrophobicContact CH2-CZ 4.05Å; W84-F214 AromaticContact CZ2-CD1 3.25Å; W84-F214 HydrophobicContact CZ2-CD1 3.25Å; W84-F214 AromaticContact CZ2-CE1 3.04Å; W84-F214 HydrophobicContact CZ2-CE1 3.04Å; W84-F214 HydrophobicContact CZ2-CG 4.22Å; W84-F214 AromaticContact CZ2-CZ 3.87Å; W84-F214 HydrophobicContact CZ2-CZ 3.87Å; W84-F214 HydrophobicContact CZ3-CE1 4.37Å; W84-F214 AromaticContact NE1-CD1 3.77Å; W84-F214 PolarHBondContact NE1-O 2.87Å; W84-R216 HydrophobicContact CH2-CB 4.45Å; W84-R216 HydrophobicContact CH2-CG 4.15Å; W84-R216 HydrophobicContact CZ2-CB 3.93Å; W84-R216 HydrophobicContact CZ2-CG 4.13Å; W84-R216 HydrophobicContact CZ3-CG 4.41Å
85	G	92.9	Very high	93.2	Very high	14 Å²	14	51.9 Å²	51.9	14%	0.144	27%	0.266	C	S	.	.			trans	67.2	-141.7	-179	0	0	0	0	0	112.3	Y83 I87 R107 D108	Y83-G85 VanDerWaalsContact CZ-CA 3.48Å; G85-I87 PolarHBondContact O-N 3.08Å; G85-R107 WeakPolarHBondContact O-CA 3.49Å; G85-R107 WeakPolarHBondContact O-CB 3.33Å; G85-D108 PolarHBondContact O-N 2.94Å
86	S	93.3	Very high	93.2	Very high	105 Å²	105	49.5 Å²	49.5	73%	0.734	25%	0.249	S	C	*	.	S	Bend	trans	-81	30.9	-170.5	66.1	0	0	0	0	114.9	D108	S86-D108 WeakPolarHBondContact CA-OD2 3.4Å; S86-D108 PolarHBondContact N-OD2 2.96Å; S86-D108 VanDerWaalsContact N-OD2 3.13Å
87	I	94.3	Very high	93.1	Very high	28 Å²	28	53.7 Å²	53.7	14%	0.144	27%	0.27	C	S	.	.			trans	-68.6	149.2	174.7	62.8	162.1	0	0	0	110.9	W84 G85 A92 L105 R107	W84-I87 HydrophobicContact CB-CD1 3.51Å; W84-I87 HydrophobicContact CB-CG1 3.74Å; W84-I87 HydrophobicContact CB-CG2 4.32Å; W84-I87 HydrophobicContact CD2-CD1 4.2Å; W84-I87 HydrophobicContact CE3-CD1 4.04Å; W84-I87 HydrophobicContact CE3-CG2 4.4Å; W84-I87 HydrophobicContact CG-CD1 4.01Å; G85-I87 PolarHBondContact O-N 3.08Å; I87-A92 HydrophobicContact CD1-CB 3.83Å; I87-L105 HydrophobicContact CD1-CD1 3.9Å; I87-L105 HydrophobicContact CD1-CD2 4.42Å; I87-R107 HydrophobicContact CD1-CB 4.33Å; I87-R107 HydrophobicContact CG1-CB 3.68Å; I87-R107 HydrophobicContact CG1-CG 4.39Å; I87-R107 WeakPolarHBondContact O-CD 3.44Å
88	T	94.8	Very high	93	Very high	59 Å²	59	62 Å²	62	36%	0.362	31%	0.306	S	S	.	.			trans	-76.7	160.8	179.2	64.7	0	0	0	0	112	S90 E91 A92	T88-S90 PolarHBondContact O-N 3.02Å; T88-E91 PolarHBondContact N-OE2 3.21Å; T88-E91 PolarHBondContact O-N 3.38Å; T88-E91 VanDerWaalsContact OG1-CD 3.3Å; T88-E91 VanDerWaalsContact OG1-CG 3.24Å; T88-E91 WeakPolarHBondContact OG1-CG 3.21Å; T88-E91 PolarHBondContact OG1-N 3.25Å; T88-E91 PolarHBondContact OG1-OE2 3.45Å; T88-A92 WeakPolarHBondContact O-CB 3.47Å; T88-A92 PolarHBondContact O-N 3.17Å
89	A	92.9	Very high	93.1	Very high	20 Å²	20	56.6 Å²	56.6	17%	0.165	29%	0.288	C	S	.	.	H	α-helix	trans	-57.4	-35.7	173.4	0	0	0	0	0	112.5	R93 R107	A89-R93 WeakPolarHBondContact O-CD 2.87Å; A89-R93 WeakPolarHBondContact O-CG 3.39Å; A89-R93 PolarHBondContact O-N 3.12Å; A89-R107 VanDerWaalsContact CB-NH2 3.28Å
90	S	94.9	Very high	93.3	Very high	77 Å²	77	56.9 Å²	56.9	54%	0.538	30%	0.296	S	S	.	.	H	α-helix	trans	-70.5	-44.6	-179.9	-59.8	0	0	0	0	111.8	T88 R93 Q94	T88-S90 PolarHBondContact O-N 3.02Å; S90-R93 WeakPolarHBondContact O-CB 3.21Å; S90-R93 PolarHBondContact O-N 2.97Å; S90-Q94 PolarHBondContact O-N 2.9Å
91	E	94.7	Very high	93.3	Very high	85 Å²	85	61.1 Å²	61.1	40%	0.397	32%	0.316	S	S	.	.	H	α-helix	trans	-62.5	-44.5	175.1	-71.4	164.7	143.5	0	0	111.3	T88 R93 Q94 H95	T88-E91 PolarHBondContact N-OE2 3.21Å; T88-E91 PolarHBondContact O-N 3.38Å; T88-E91 VanDerWaalsContact OG1-CD 3.3Å; T88-E91 VanDerWaalsContact OG1-CG 3.24Å; T88-E91 WeakPolarHBondContact OG1-CG 3.21Å; T88-E91 PolarHBondContact OG1-N 3.25Å; T88-E91 PolarHBondContact OG1-OE2 3.45Å; E91-R93 VanDerWaalsContact C-N 3.32Å; E91-R93 PolarHBondContact O-N 3.43Å; E91-Q94 WeakPolarHBondContact O-CB 3.39Å; E91-Q94 PolarHBondContact O-N 3.22Å; E91-Q94 VanDerWaalsContact O-N 3.14Å; E91-H95 PolarHBondContact O-CD2 3.37Å; E91-H95 PolarHBondContact O-N 2.91Å
92	A	94.9	Very high	93.3	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-57.9	-44.7	175.6	0	0	0	0	0	111.7	I87 T88 Q94 H95 L96 L105	I87-A92 HydrophobicContact CD1-CB 3.83Å; T88-A92 WeakPolarHBondContact O-CB 3.47Å; T88-A92 PolarHBondContact O-N 3.17Å; A92-Q94 PolarHBondContact O-N 3.06Å; A92-H95 PolarHBondContact O-N 3.04Å; A92-L96 WeakPolarHBondContact O-CB 3.48Å; A92-L96 VanDerWaalsContact O-CG 3.31Å; A92-L96 WeakPolarHBondContact O-CG 3.44Å; A92-L96 PolarHBondContact O-N 3.08Å; A92-L105 HydrophobicContact CB-CD1 4.17Å; A92-L105 HydrophobicContact CB-CD2 4.46Å
93	R	94.2	Very high	93.4	Very high	119 Å²	119	61 Å²	61	45%	0.449	31%	0.314	S	S	.	.	H	α-helix	trans	-60.1	-45.5	174.7	-72.5	166	176.2	152.6	-0.9	111.3	A89 S90 E91 H95 L96 Q97 P126 N128	A89-R93 WeakPolarHBondContact O-CD 2.87Å; A89-R93 WeakPolarHBondContact O-CG 3.39Å; A89-R93 PolarHBondContact O-N 3.12Å; S90-R93 WeakPolarHBondContact O-CB 3.21Å; S90-R93 PolarHBondContact O-N 2.97Å; E91-R93 VanDerWaalsContact C-N 3.32Å; E91-R93 PolarHBondContact O-N 3.43Å; R93-H95 VanDerWaalsContact C-N 3.34Å; R93-H95 PolarHBondContact O-N 3.34Å; R93-L96 PolarHBondContact O-N 3.48Å; R93-Q97 WeakPolarHBondContact O-CB 3.09Å; R93-Q97 PolarHBondContact O-N 2.91Å; R93-P126 HydrophobicContact CB-CB 4.12Å; R93-P126 HydrophobicContact CB-CG 4.39Å; R93-P126 HydrophobicContact CG-CB 3.97Å; R93-P126 WeakPolarHBondContact O-CG 3.26Å; R93-N128 PolarHBondContact NE-ND2 3.28Å
94	Q	94.9	Very high	93.5	Very high	132 Å²	132	59.7 Å²	59.7	62%	0.617	31%	0.309	S	S	*	.	H	α-helix	trans	-61.6	-41	179.7	-177.5	179.9	-16.1	0	0	112.4	S90 E91 A92	S90-Q94 PolarHBondContact O-N 2.9Å; E91-Q94 WeakPolarHBondContact O-CB 3.39Å; E91-Q94 PolarHBondContact O-N 3.22Å; E91-Q94 VanDerWaalsContact O-N 3.14Å; A92-Q94 PolarHBondContact O-N 3.06Å
95	H	93.1	Very high	93.6	Very high	75 Å²	75	58.3 Å²	58.3	35%	0.347	30%	0.304	S	S	.	.	H	α-helix	trans	-66.7	-44.4	175.7	-73.8	-57.7	0	0	0	112.4	W84 E91 A92 R93 F214	W84-H95 AromaticContact CZ3-CD2 3.89Å; W84-H95 AromaticContact CZ3-NE2 3.8Å; E91-H95 PolarHBondContact O-CD2 3.37Å; E91-H95 PolarHBondContact O-N 2.91Å; A92-H95 PolarHBondContact O-N 3.04Å; R93-H95 VanDerWaalsContact C-N 3.34Å; R93-H95 PolarHBondContact O-N 3.34Å; H95-F214 HydrophobicContact CB-CE1 3.77Å; H95-F214 HydrophobicContact CB-CZ 4.39Å
96	L	93.7	Very high	93.7	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-75.6	-23.5	-177.9	-71.2	174.1	0	0	0	113.8	A92 R93 K98 M99 T103 L105 S119 K121 P126 F214	A92-L96 WeakPolarHBondContact O-CB 3.48Å; A92-L96 VanDerWaalsContact O-CG 3.31Å; A92-L96 WeakPolarHBondContact O-CG 3.44Å; A92-L96 PolarHBondContact O-N 3.08Å; R93-L96 PolarHBondContact O-N 3.48Å; L96-K98 PolarHBondContact O-N 2.87Å; L96-M99 PolarHBondContact O-N 3.25Å; L96-M99 VanDerWaalsContact O-N 3.08Å; L96-T103 HydrophobicContact CD2-CG2 3.92Å; L96-L105 HydrophobicContact CD1-CD2 4.2Å; L96-L105 HydrophobicContact CD1-CG 4.34Å; L96-L105 HydrophobicContact CD2-CD2 4.21Å; L96-L105 HydrophobicContact CG-CD2 4.03Å; L96-S119 VanDerWaalsContact CD1-C 3.49Å; L96-S119 WeakPolarHBondContact CD1-O 3.13Å; L96-K121 HydrophobicContact CB-CB 4.34Å; L96-K121 WeakPolarHBondContact O-CD 3.49Å; L96-P126 HydrophobicContact CB-CB 3.96Å; L96-P126 HydrophobicContact CB-CG 4.1Å; L96-P126 HydrophobicContact CD1-CB 4.48Å; L96-F214 HydrophobicContact CD2-CB 4.47Å
97	Q	92.6	Very high	93.8	Very high	114 Å²	114	52.9 Å²	52.9	53%	0.533	26%	0.263	S	S	.	.	H	α-helix	trans	-58.1	-33.8	-179.7	-170.7	68.2	17.8	0	0	112.4	R93 P126	R93-Q97 WeakPolarHBondContact O-CB 3.09Å; R93-Q97 PolarHBondContact O-N 2.91Å; Q97-P126 HydrophobicContact CB-CG 4.33Å; Q97-P126 VanDerWaalsContact OE1-CG 3.26Å
98	K	90.4	Very high	93.8	Very high	175 Å²	175	53.6 Å²	53.6	76%	0.761	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-4.5	-178.4	-59.7	-177.4	-178.2	-177.2	0	113.6	L96	L96-K98 PolarHBondContact O-N 2.87Å
99	M	93.2	Very high	93.8	Very high	53 Å²	53	51.8 Å²	51.8	26%	0.261	26%	0.257	S	S	.	.	S	Bend	trans	-97	158.5	-177.6	-66.1	-62.7	108.4	0	0	110.5	L96 T103 F214	L96-M99 PolarHBondContact O-N 3.25Å; L96-M99 VanDerWaalsContact O-N 3.08Å; M99-T103 HydrophobicContact CB-CG2 3.87Å; M99-T103 HydrophobicContact CG-CG2 4.14Å; M99-F214 HydrophobicContact CE-CE2 4.42Å; M99-F214 HydrophobicContact CG-CD2 4.09Å; M99-F214 HydrophobicContact CG-CE2 3.93Å; M99-F214 HydrophobicContact CG-CZ 4.49Å; M99-F214 HydrophobicContact SD-CD2 4Å; M99-F214 HydrophobicContact SD-CE2 3.6Å; M99-F214 HydrophobicContact SD-CZ 4.48Å
100	P	93.1	Very high	93.7	Very high	76 Å²	76	55.2 Å²	55.2	49%	0.494	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-68.3	159.4	176.4	30.2	-36.9	0	0	0	111.5	T103	P100-T103 VanDerWaalsContact O-CB 3.28Å; P100-T103 WeakPolarHBondContact O-CB 3.11Å; P100-T103 PolarHBondContact O-N 3.44Å; P100-T103 PolarHBondContact O-OG1 2.86Å
101	E	92.3	Very high	93.4	Very high	89 Å²	89	55.2 Å²	55.2	42%	0.416	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	142.2	174.2	-178.2	171.7	-166.4	0	0	112.1	T103 A123	E101-T103 VanDerWaalsContact C-N 3.28Å; E101-A123 VanDerWaalsContact CD-N 3.34Å; E101-A123 WeakPolarHBondContact OE1-CB 3.35Å; E101-A123 PolarHBondContact OE1-N 2.87Å
102	G	90.2	Very high	93	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.5	-3	-177.5	0	0	0	0	0	114.5	K121 K209 V211 Q212	G102-K121 PolarHBondContact N-O 3.38Å; G102-K209 WeakPolarHBondContact CA-O 3.18Å; G102-V211 PolarHBondContact O-N 3.44Å; G102-Q212 PolarHBondContact O-N 3.12Å; G102-Q212 VanDerWaalsContact O-N 3.14Å
103	T	94.4	Very high	92.7	Very high	3 Å²	3	62.5 Å²	62.5	2%	0.018	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	130.3	172.2	-53.2	0	0	0	0	110	L96 M99 P100 E101 V120 K121 Q212 F214	L96-T103 HydrophobicContact CD2-CG2 3.92Å; M99-T103 HydrophobicContact CB-CG2 3.87Å; M99-T103 HydrophobicContact CG-CG2 4.14Å; P100-T103 VanDerWaalsContact O-CB 3.28Å; P100-T103 WeakPolarHBondContact O-CB 3.11Å; P100-T103 PolarHBondContact O-N 3.44Å; P100-T103 PolarHBondContact O-OG1 2.86Å; E101-T103 VanDerWaalsContact C-N 3.28Å; T103-V120 WeakPolarHBondContact O-CA 3.47Å; T103-K121 PolarHBondContact O-N 2.87Å; T103-Q212 WeakPolarHBondContact CA-O 3.44Å; T103-Q212 HydrophobicContact CG2-CG 4.39Å; T103-Q212 PolarHBondContact OG1-NE2 2.74Å; T103-Q212 VanDerWaalsContact OG1-NE2 3.12Å; T103-F214 HydrophobicContact CG2-CB 3.72Å; T103-F214 HydrophobicContact CG2-CD2 4.21Å; T103-F214 HydrophobicContact CG2-CG 4.24Å
104	F	94.9	Very high	92.5	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	161.7	-177.4	69.6	-93.4	0	0	0	113.2	W82 L118 S119 V120 V160 V164 L210 Q212 P213 F214 L258	W82-F104 HydrophobicContact CD2-CE2 4.34Å; W82-F104 HydrophobicContact CE3-CE2 4.24Å; F104-L118 HydrophobicContact CB-CD1 4.08Å; F104-L118 HydrophobicContact CD2-CD1 3.78Å; F104-L118 HydrophobicContact CG-CD1 4.23Å; F104-S119 CarbonylContact C-O 3.56Å; F104-S119 WeakPolarHBondContact CA-O 3.48Å; F104-S119 WeakPolarHBondContact CB-O 3.29Å; F104-V120 HydrophobicContact CB-CB 3.96Å; F104-V120 HydrophobicContact CB-CG2 4.1Å; F104-V160 HydrophobicContact CD2-CG1 4.32Å; F104-V160 HydrophobicContact CE1-CG1 4.39Å; F104-V160 HydrophobicContact CE2-CG1 3.42Å; F104-V160 VanDerWaalsContact CE2-CG1 3.42Å; F104-V160 HydrophobicContact CZ-CG1 3.46Å; F104-V160 VanDerWaalsContact CZ-CG1 3.46Å; F104-V164 HydrophobicContact CE1-CG2 3.72Å; F104-V164 HydrophobicContact CZ-CG2 4.03Å; F104-L210 HydrophobicContact CB-CD2 3.73Å; F104-L210 HydrophobicContact CD1-CB 4.08Å; F104-L210 HydrophobicContact CD1-CD2 3.82Å; F104-L210 HydrophobicContact CD1-CG 4.48Å; F104-L210 HydrophobicContact CE1-CB 4.26Å; F104-L210 HydrophobicContact CG-CD2 3.82Å; F104-Q212 WeakPolarHBondContact CD1-O 3.44Å; F104-Q212 WeakPolarHBondContact CE1-O 3.4Å; F104-Q212 PolarHBondContact N-O 3.26Å; F104-P213 HydrophobicContact CE2-CB 4.14Å; F104-P213 HydrophobicContact CZ-CB 3.93Å; F104-P213 CarbonylContact O-C 3.53Å; F104-F214 WeakPolarHBondContact O-CB 3.48Å; F104-F214 PolarHBondContact O-N 2.76Å; F104-L258 HydrophobicContact CZ-CD2 3.78Å
105	L	94.9	Very high	92.4	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	155.4	170.3	62.2	88.7	0	0	0	109.9	W84 I87 A92 L96 R107 S119 F214	W84-L105 HydrophobicContact CB-CD1 4.35Å; W84-L105 HydrophobicContact CD2-CD2 4.43Å; W84-L105 HydrophobicContact CG-CB 4.41Å; W84-L105 HydrophobicContact CG-CD1 4.32Å; W84-L105 HydrophobicContact CG-CD2 4.34Å; I87-L105 HydrophobicContact CD1-CD1 3.9Å; I87-L105 HydrophobicContact CD1-CD2 4.42Å; A92-L105 HydrophobicContact CB-CD1 4.17Å; A92-L105 HydrophobicContact CB-CD2 4.46Å; L96-L105 HydrophobicContact CD1-CD2 4.2Å; L96-L105 HydrophobicContact CD1-CG 4.34Å; L96-L105 HydrophobicContact CD2-CD2 4.21Å; L96-L105 HydrophobicContact CG-CD2 4.03Å; L105-R107 HydrophobicContact CD1-CB 4.1Å; L105-R107 HydrophobicContact CD1-CG 4.21Å; L105-S119 PolarHBondContact N-O 3.36Å; L105-S119 PolarHBondContact O-N 3.44Å; L105-F214 HydrophobicContact CB-CB 4.26Å; L105-F214 HydrophobicContact CD2-CD1 3.77Å
106	V	95.6	Very high	92.5	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	140.1	170.1	176	0	0	0	0	109	L77 W82 Y83 W84 F116 L118 V160	L77-V106 HydrophobicContact CD1-CG1 4.36Å; L77-V106 HydrophobicContact CD2-CB 4.32Å; L77-V106 HydrophobicContact CD2-CG1 4.14Å; W82-V106 HydrophobicContact CE3-CB 4.16Å; W82-V106 HydrophobicContact CE3-CG2 4.01Å; W82-V106 HydrophobicContact CZ3-CB 3.94Å; W82-V106 HydrophobicContact CZ3-CG2 3.53Å; W82-V106 PolarHBondContact O-N 3.47Å; Y83-V106 CarbonylContact C-O 3.27Å; Y83-V106 WeakPolarHBondContact CA-O 3.16Å; Y83-V106 HydrophobicContact CD2-CB 4.49Å; Y83-V106 HydrophobicContact CD2-CG1 4.15Å; W84-V106 PolarHBondContact N-O 3.49Å; V106-F116 HydrophobicContact CG1-CB 4.22Å; V106-L118 HydrophobicContact CG2-CD1 3.78Å; V106-V160 HydrophobicContact CG2-CG2 4.45Å
107	R	95.6	Very high	92.6	Very high	5 Å²	5	53.4 Å²	53.4	2%	0.019	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	170.9	178.3	60.5	175.1	-178.5	81.6	2.6	110	G85 I87 A89 L105 F116 T117 S119 N128	G85-R107 WeakPolarHBondContact O-CA 3.49Å; G85-R107 WeakPolarHBondContact O-CB 3.33Å; I87-R107 HydrophobicContact CD1-CB 4.33Å; I87-R107 HydrophobicContact CG1-CB 3.68Å; I87-R107 HydrophobicContact CG1-CG 4.39Å; I87-R107 WeakPolarHBondContact O-CD 3.44Å; A89-R107 VanDerWaalsContact CB-NH2 3.28Å; L105-R107 HydrophobicContact CD1-CB 4.1Å; L105-R107 HydrophobicContact CD1-CG 4.21Å; R107-F116 WeakPolarHBondContact O-CA 3.42Å; R107-T117 WeakPolarHBondContact CG-O 3.46Å; R107-T117 PolarHBondContact N-O 2.49Å; R107-T117 PolarHBondContact O-N 3.24Å; R107-S119 PolarHBondContact NE-OG 3.48Å; R107-N128 PolarHBondContact NH2-OD1 2.9Å
108	D	95.1	Very high	92.7	Very high	44 Å²	44	48 Å²	48	24%	0.235	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	143	171.6	-57.6	-26.9	0	0	0	110	Y83 G85 S86	Y83-D108 WeakPolarHBondContact CE2-OD1 3.41Å; Y83-D108 VanDerWaalsContact CZ-OD1 3.31Å; Y83-D108 PolarHBondContact OH-OD1 3.14Å; Y83-D108 PolarHBondContact OH-OD2 3.44Å; G85-D108 PolarHBondContact O-N 2.94Å; S86-D108 WeakPolarHBondContact CA-OD2 3.4Å; S86-D108 PolarHBondContact N-OD2 2.96Å; S86-D108 VanDerWaalsContact N-OD2 3.13Å
109	S	94	Very high	92.9	Very high	20 Å²	20	39.7 Å²	39.7	14%	0.14	23%	0.226	C	C	.	.			trans	-74.3	138.6	171.5	179.4	0	0	0	0	109.8	H111 Y114 L115 T117	S109-H111 VanDerWaalsContact C-N 3.26Å; S109-H111 PolarHBondContact OG-N 3.02Å; S109-H111 PolarHBondContact OG-O 3.38Å; S109-Y114 WeakPolarHBondContact CB-O 3.39Å; S109-Y114 WeakPolarHBondContact OG-CB 3.43Å; S109-L115 PolarHBondContact N-O 2.91Å; S109-T117 WeakPolarHBondContact CA-OG1 3.44Å; S109-T117 WeakPolarHBondContact CB-OG1 3.27Å
110	T	90.9	Very high	92.9	Very high	92 Å²	92	37.2 Å²	37.2	56%	0.564	21%	0.214	S	C	*	.	S	Bend	trans	-83.2	-7.6	169.2	57.9	0	0	0	0	112.2
111	H	88.6	Confident	92.9	Very high	78 Å²	78	35 Å²	35	36%	0.361	20%	0.197	S	C	.	.	S	Bend	trans	-92.9	133.4	179.8	-65.4	75.3	0	0	0	109.5	S109 S113 Y114 R130	S109-H111 VanDerWaalsContact C-N 3.26Å; S109-H111 PolarHBondContact OG-N 3.02Å; S109-H111 PolarHBondContact OG-O 3.38Å; H111-S113 PolarHBondContact O-N 3.27Å; H111-Y114 HydrophobicContact CB-CD2 4.02Å; H111-Y114 PolarHBondContact O-N 3.03Å; H111-R130 PolarHBondContact CD2-NH2 3.5Å; H111-R130 PolarHBondContact CE1-NH2 3.45Å; H111-R130 VanDerWaalsContact CE1-NH2 3.3Å; H111-R130 PolarHBondContact NE2-NH2 3.14Å
112	P	87.1	Confident	92.8	Very high	135 Å²	135	31.1 Å²	31.1	88%	0.877	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-24.7	-173.9	26	-35.1	0	0	0	113.6	Y114	P112-Y114 VanDerWaalsContact C-N 3.32Å; P112-Y114 PolarHBondContact O-N 3.38Å
113	S	87.9	Confident	92.7	Very high	103 Å²	103	34.8 Å²	34.8	72%	0.72	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-1.2	-178.1	-46.5	0	0	0	0	114.4	H111	H111-S113 PolarHBondContact O-N 3.27Å
114	Y	91.1	Very high	92.2	Very high	50 Å²	50	43.5 Å²	43.5	20%	0.196	24%	0.242	C	C	.	.			trans	-136.3	143.1	-174.9	-61.1	-98.4	0	0	0	109.7	S109 H111 P112 R130 E132	S109-Y114 WeakPolarHBondContact CB-O 3.39Å; S109-Y114 WeakPolarHBondContact OG-CB 3.43Å; H111-Y114 HydrophobicContact CB-CD2 4.02Å; H111-Y114 PolarHBondContact O-N 3.03Å; P112-Y114 VanDerWaalsContact C-N 3.32Å; P112-Y114 PolarHBondContact O-N 3.38Å; Y114-R130 HydrophobicContact CD1-CB 3.54Å; Y114-R130 HydrophobicContact CD1-CG 4.35Å; Y114-R130 HydrophobicContact CE1-CB 3.58Å; Y114-R130 HydrophobicContact CE1-CG 4.39Å; Y114-R130 HydrophobicContact CG-CB 4.06Å; Y114-R130 HydrophobicContact CG-CG 4.43Å; Y114-E132 HydrophobicContact CD1-CG 3.92Å; Y114-E132 HydrophobicContact CE1-CB 4.49Å; Y114-E132 HydrophobicContact CE1-CG 3.33Å
115	L	92.5	Very high	91.9	Very high	77 Å²	77	44 Å²	44	40%	0.403	25%	0.247	S	C	.	.	S	Bend	trans	-85.9	-47	177.9	-63.6	173.8	0	0	0	111.4	I70 S109	I70-L115 HydrophobicContact CD1-CD1 3.86Å; I70-L115 HydrophobicContact CG1-CD1 4.01Å; I70-L115 HydrophobicContact CG2-CD1 4.04Å; S109-L115 PolarHBondContact N-O 2.91Å
116	F	95.3	Very high	91.8	Very high	6 Å²	6	45 Å²	45	3%	0.026	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	155.9	-171.9	-55.5	-65.9	0	0	0	112	T73 F74 L77 Y83 V106 R107 I131 F138 V156	T73-F116 HydrophobicContact CG2-CE2 4.24Å; F74-F116 HydrophobicContact CD2-CE1 4.05Å; F74-F116 HydrophobicContact CD2-CZ 4.08Å; F74-F116 HydrophobicContact CE2-CE1 4.42Å; L77-F116 HydrophobicContact CD1-CD1 3.99Å; L77-F116 HydrophobicContact CD1-CD2 4.44Å; L77-F116 HydrophobicContact CD1-CE1 3.7Å; L77-F116 HydrophobicContact CD1-CE2 4.19Å; L77-F116 HydrophobicContact CD1-CG 4.35Å; L77-F116 HydrophobicContact CD1-CZ 3.82Å; Y83-F116 HydrophobicContact CE2-CD1 4.33Å; Y83-F116 HydrophobicContact CE2-CE1 4.32Å; V106-F116 HydrophobicContact CG1-CB 4.22Å; R107-F116 WeakPolarHBondContact O-CA 3.42Å; F116-I131 HydrophobicContact CB-CB 4.22Å; F116-I131 HydrophobicContact CB-CD1 3.87Å; F116-I131 HydrophobicContact CB-CG1 4.47Å; F116-I131 PolarHBondContact O-N 2.66Å; F116-I131 VanDerWaalsContact O-N 3.1Å; F116-F138 HydrophobicContact CD2-CE1 4.12Å; F116-F138 HydrophobicContact CE2-CE1 4.02Å; F116-V156 HydrophobicContact CD2-CG2 3.93Å; F116-V156 HydrophobicContact CE2-CG2 4.35Å
117	T	95.1	Very high	91.6	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.012	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	130.9	172.2	-60.1	0	0	0	0	109.5	R107 S109 N128 V129	R107-T117 WeakPolarHBondContact CG-O 3.46Å; R107-T117 PolarHBondContact N-O 2.49Å; R107-T117 PolarHBondContact O-N 3.24Å; S109-T117 WeakPolarHBondContact CA-OG1 3.44Å; S109-T117 WeakPolarHBondContact CB-OG1 3.27Å; T117-N128 HydrophobicContact CG2-CB 3.9Å; T117-V129 CarbonylContact C-O 3.53Å; T117-V129 WeakPolarHBondContact CA-O 3.49Å; T117-V129 WeakPolarHBondContact CG2-O 3.39Å
118	L	94.5	Very high	91.4	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	116.8	171.9	178.2	66.3	0	0	0	109.1	F104 V106 N128 V129 I131 L140 L210	F104-L118 HydrophobicContact CB-CD1 4.08Å; F104-L118 HydrophobicContact CD2-CD1 3.78Å; F104-L118 HydrophobicContact CG-CD1 4.23Å; V106-L118 HydrophobicContact CG2-CD1 3.78Å; L118-N128 CarbonylContact O-C 3.51Å; L118-N128 WeakPolarHBondContact O-CA 3.28Å; L118-V129 HydrophobicContact CB-CB 4.4Å; L118-V129 PolarHBondContact N-O 2.95Å; L118-V129 PolarHBondContact O-N 2.98Å; L118-I131 HydrophobicContact CB-CD1 4.32Å; L118-L140 HydrophobicContact CD2-CD2 4.23Å; L118-L210 HydrophobicContact CD1-CD2 4.48Å; L118-L210 HydrophobicContact CD2-CD1 3.99Å; L118-L210 HydrophobicContact CD2-CD2 4Å
119	S	94.6	Very high	91.2	Very high	1 Å²	1	46 Å²	46	1%	0.007	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	126	173	-61.5	0	0	0	0	109	L96 F104 L105 R107 T127 N128	L96-S119 VanDerWaalsContact CD1-C 3.49Å; L96-S119 WeakPolarHBondContact CD1-O 3.13Å; F104-S119 CarbonylContact C-O 3.56Å; F104-S119 WeakPolarHBondContact CA-O 3.48Å; F104-S119 WeakPolarHBondContact CB-O 3.29Å; L105-S119 PolarHBondContact N-O 3.36Å; L105-S119 PolarHBondContact O-N 3.44Å; R107-S119 PolarHBondContact NE-OG 3.48Å; S119-T127 WeakPolarHBondContact CA-O 3.5Å; S119-N128 PolarHBondContact OG-OD1 3.37Å
120	V	93.5	Very high	91.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	141.3	-176.1	57.1	0	0	0	0	111.4	T103 F104 T122 P126 T127 L208 K209 L210	T103-V120 WeakPolarHBondContact O-CA 3.47Å; F104-V120 HydrophobicContact CB-CB 3.96Å; F104-V120 HydrophobicContact CB-CG2 4.1Å; V120-T122 HydrophobicContact CG1-CG2 4.2Å; V120-P126 CarbonylContact O-C 3.56Å; V120-P126 VanDerWaalsContact O-CA 3.3Å; V120-P126 WeakPolarHBondContact O-CA 3.38Å; V120-T127 PolarHBondContact N-O 3.15Å; V120-T127 PolarHBondContact O-N 3.34Å; V120-L208 HydrophobicContact CG1-CD1 3.58Å; V120-K209 WeakPolarHBondContact CG2-O 3.4Å; V120-L210 HydrophobicContact CB-CD2 4.02Å; V120-L210 HydrophobicContact CG2-CD2 3.73Å
121	K	93.6	Very high	91.2	Very high	31 Å²	31	44.5 Å²	44.5	14%	0.135	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	111.6	171.6	179.6	58.9	171.9	151	0	110.1	L96 G102 T103 P126	L96-K121 HydrophobicContact CB-CB 4.34Å; L96-K121 WeakPolarHBondContact O-CD 3.49Å; G102-K121 PolarHBondContact N-O 3.38Å; T103-K121 PolarHBondContact O-N 2.87Å; K121-P126 HydrophobicContact CD-CG 4.06Å
122	T	90.1	Very high	91.4	Very high	6 Å²	6	42.5 Å²	42.5	4%	0.037	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	171.2	171.1	73.1	0	0	0	0	110.7	V120 R124 G125 V206	V120-T122 HydrophobicContact CG1-CG2 4.2Å; T122-R124 PolarHBondContact O-N 2.89Å; T122-R124 PolarHBondContact OG1-N 2.59Å; T122-G125 PolarHBondContact N-O 2.91Å; T122-G125 PolarHBondContact O-N 3.07Å; T122-G125 PolarHBondContact OG1-O 2.88Å; T122-V206 HydrophobicContact CG2-CG1 4.08Å
123	A	86.9	Confident	91.6	Very high	78 Å²	78	38.5 Å²	38.5	65%	0.645	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-36.5	173.2	0	0	0	0	0	113.4	E101 G125	E101-A123 VanDerWaalsContact CD-N 3.34Å; E101-A123 WeakPolarHBondContact OE1-CB 3.35Å; E101-A123 PolarHBondContact OE1-N 2.87Å; A123-G125 VanDerWaalsContact C-N 3.34Å
124	R	85.4	Confident	91.6	Very high	186 Å²	186	35 Å²	35	70%	0.702	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-10.2	179.2	-62.9	-176.5	71	-174	3.9	113.8	T122 T204	T122-R124 PolarHBondContact O-N 2.89Å; T122-R124 PolarHBondContact OG1-N 2.59Å; R124-T204 VanDerWaalsContact NH1-CB 3.29Å; R124-T204 PolarHBondContact NH1-OG1 3.5Å
125	G	88.8	Confident	91.3	Very high	11 Å²	11	37.9 Å²	37.9	11%	0.113	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	130	177	-177.9	0	0	0	0	0	113.6	T122 A123 T127	T122-G125 PolarHBondContact N-O 2.91Å; T122-G125 PolarHBondContact O-N 3.07Å; T122-G125 PolarHBondContact OG1-O 2.88Å; A123-G125 VanDerWaalsContact C-N 3.34Å; G125-T127 PolarHBondContact O-N 2.95Å; G125-T127 PolarHBondContact O-OG1 3.43Å
126	P	91.9	Very high	91.1	Very high	20 Å²	20	35.9 Å²	35.9	13%	0.13	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	119.5	177.1	-15	28	0	0	0	111.3	R93 L96 Q97 V120 K121	R93-P126 HydrophobicContact CB-CB 4.12Å; R93-P126 HydrophobicContact CB-CG 4.39Å; R93-P126 HydrophobicContact CG-CB 3.97Å; R93-P126 WeakPolarHBondContact O-CG 3.26Å; L96-P126 HydrophobicContact CB-CB 3.96Å; L96-P126 HydrophobicContact CB-CG 4.1Å; L96-P126 HydrophobicContact CD1-CB 4.48Å; Q97-P126 HydrophobicContact CB-CG 4.33Å; Q97-P126 VanDerWaalsContact OE1-CG 3.26Å; V120-P126 CarbonylContact O-C 3.56Å; V120-P126 VanDerWaalsContact O-CA 3.3Å; V120-P126 WeakPolarHBondContact O-CA 3.38Å; K121-P126 HydrophobicContact CD-CG 4.06Å
127	T	91.6	Very high	90.8	Very high	35 Å²	35	36.6 Å²	36.6	22%	0.215	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	151.6	-179.8	-56.5	0	0	0	0	109.6	S119 V120 G125 V206	S119-T127 WeakPolarHBondContact CA-O 3.5Å; V120-T127 PolarHBondContact N-O 3.15Å; V120-T127 PolarHBondContact O-N 3.34Å; G125-T127 PolarHBondContact O-N 2.95Å; G125-T127 PolarHBondContact O-OG1 3.43Å; T127-V206 HydrophobicContact CG2-CG1 4.46Å
128	N	92	Very high	90.7	Very high	35 Å²	35	36.6 Å²	36.6	19%	0.187	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	130.1	175.1	-66.6	-77.5	0	0	0	108.8	R93 R107 T117 L118 S119	R93-N128 PolarHBondContact NE-ND2 3.28Å; R107-N128 PolarHBondContact NH2-OD1 2.9Å; T117-N128 HydrophobicContact CG2-CB 3.9Å; L118-N128 CarbonylContact O-C 3.51Å; L118-N128 WeakPolarHBondContact O-CA 3.28Å; S119-N128 PolarHBondContact OG-OD1 3.37Å
129	V	90.9	Very high	90.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	125.4	176.1	-173.6	0	0	0	0	107.8	T117 L118 L140 C144 L208	T117-V129 CarbonylContact C-O 3.53Å; T117-V129 WeakPolarHBondContact CA-O 3.49Å; T117-V129 WeakPolarHBondContact CG2-O 3.39Å; L118-V129 HydrophobicContact CB-CB 4.4Å; L118-V129 PolarHBondContact N-O 2.95Å; L118-V129 PolarHBondContact O-N 2.98Å; V129-L140 HydrophobicContact CG1-CB 4.23Å; V129-L140 HydrophobicContact CG1-CD2 3.96Å; V129-C144 HydrophobicContact CB-CB 4.31Å; V129-C144 HydrophobicContact CG1-CB 3.73Å; V129-C144 HydrophobicContact CG2-CB 3.72Å; V129-L208 HydrophobicContact CG2-CD1 3.67Å
130	R	92	Very high	90.3	Very high	78 Å²	78	39.5 Å²	39.5	29%	0.294	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	145.5	178.2	-61.1	-179.8	-176.6	150.6	1.1	109.8	H111 Y114 D141	H111-R130 PolarHBondContact CD2-NH2 3.5Å; H111-R130 PolarHBondContact CE1-NH2 3.45Å; H111-R130 VanDerWaalsContact CE1-NH2 3.3Å; H111-R130 PolarHBondContact NE2-NH2 3.14Å; Y114-R130 HydrophobicContact CD1-CB 3.54Å; Y114-R130 HydrophobicContact CD1-CG 4.35Å; Y114-R130 HydrophobicContact CE1-CB 3.58Å; Y114-R130 HydrophobicContact CE1-CG 4.39Å; Y114-R130 HydrophobicContact CG-CB 4.06Å; Y114-R130 HydrophobicContact CG-CG 4.43Å; R130-D141 HydrophobicContact CB-CB 4.34Å; R130-D141 WeakPolarHBondContact O-CB 3.4Å; R130-D141 PolarHBondContact O-N 3.33Å
131	I	92.6	Very high	89.8	Confident	2 Å²	2	41 Å²	41	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	115	176	-57.2	171	0	0	0	107	F116 L118 F138 R139 L140 V156 L159	F116-I131 HydrophobicContact CB-CB 4.22Å; F116-I131 HydrophobicContact CB-CD1 3.87Å; F116-I131 HydrophobicContact CB-CG1 4.47Å; F116-I131 PolarHBondContact O-N 2.66Å; F116-I131 VanDerWaalsContact O-N 3.1Å; L118-I131 HydrophobicContact CB-CD1 4.32Å; I131-F138 HydrophobicContact CG2-CB 4.14Å; I131-F138 HydrophobicContact CG2-CD1 4.03Å; I131-R139 CarbonylContact C-O 3.57Å; I131-R139 WeakPolarHBondContact CA-O 3.37Å; I131-L140 HydrophobicContact CG1-CD2 3.95Å; I131-V156 HydrophobicContact CD1-CG1 3.79Å; I131-V156 HydrophobicContact CD1-CG2 4.46Å; I131-V156 HydrophobicContact CG2-CG2 4.23Å; I131-L159 HydrophobicContact CG2-CD1 4.47Å
132	E	92.1	Very high	88.5	Confident	36 Å²	36	42.9 Å²	42.9	17%	0.168	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	145.6	175.8	-68.7	178.8	-172.2	0	0	110.1	Y114 F138 R139	Y114-E132 HydrophobicContact CD1-CG 3.92Å; Y114-E132 HydrophobicContact CE1-CB 4.49Å; Y114-E132 HydrophobicContact CE1-CG 3.33Å; E132-F138 CarbonylContact O-C 3.6Å; E132-F138 VanDerWaalsContact O-CA 3.31Å; E132-F138 WeakPolarHBondContact O-CA 3.38Å; E132-R139 HydrophobicContact CB-CG 3.71Å; E132-R139 PolarHBondContact N-O 2.99Å; E132-R139 PolarHBondContact O-N 2.93Å; E132-R139 IonicContact OE2-CZ 3.24Å; E132-R139 IonicContact OE2-NE 2.81Å; E132-R139 PolarHBondContact OE2-NE 2.6Å; E132-R139 IonicContact OE2-NH2 3.19Å; E132-R139 PolarHBondContact OE2-NH2 3.07Å
133	Y	90.7	Very high	87.2	Confident	52 Å²	52	49.6 Å²	49.6	20%	0.204	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	117.2	170.2	-178.3	-106.9	0	0	0	108	D66 I70 S136 S137 F138	D66-Y133 VanDerWaalsContact CA-OH 3.29Å; D66-Y133 WeakPolarHBondContact CA-OH 3.48Å; D66-Y133 HydrophobicContact CB-CE1 4.27Å; D66-Y133 WeakPolarHBondContact CB-OH 3.35Å; D66-Y133 PolarHBondContact O-OH 2.88Å; D66-Y133 PolarHBondContact OD1-OH 3.27Å; D66-Y133 VanDerWaalsContact OD1-OH 3.07Å; I70-Y133 HydrophobicContact CD1-CD1 4.22Å; I70-Y133 HydrophobicContact CD1-CE1 3.77Å; I70-Y133 HydrophobicContact CG1-CE1 4.05Å; I70-Y133 HydrophobicContact CG1-CE2 4.25Å; Y133-S136 WeakPolarHBondContact OH-CA 3.39Å; Y133-S137 WeakPolarHBondContact CA-O 3.41Å; Y133-S137 WeakPolarHBondContact CD2-O 3.5Å; Y133-F138 AromaticContact CD2-CD1 3.74Å; Y133-F138 HydrophobicContact CD2-CD1 3.74Å; Y133-F138 HydrophobicContact CD2-CD2 4.11Å; Y133-F138 AromaticContact CD2-CE1 3.45Å; Y133-F138 HydrophobicContact CD2-CE1 3.45Å; Y133-F138 VanDerWaalsContact CD2-CE1 3.45Å; Y133-F138 AromaticContact CD2-CE2 3.84Å; Y133-F138 HydrophobicContact CD2-CE2 3.84Å; Y133-F138 HydrophobicContact CD2-CG 4.08Å; Y133-F138 AromaticContact CD2-CZ 3.5Å; Y133-F138 HydrophobicContact CD2-CZ 3.5Å; Y133-F138 HydrophobicContact CE2-CD2 4.33Å; Y133-F138 HydrophobicContact CE2-CE1 4.14Å; Y133-F138 AromaticContact CE2-CE2 3.8Å; Y133-F138 HydrophobicContact CE2-CE2 3.8Å; Y133-F138 AromaticContact CE2-CZ 3.69Å; Y133-F138 HydrophobicContact CE2-CZ 3.69Å; Y133-F138 HydrophobicContact CG-CD1 4.45Å; Y133-F138 HydrophobicContact CG-CE1 4.11Å; Y133-F138 HydrophobicContact CG-CZ 4.45Å
134	A	88.1	Confident	85.8	Confident	29 Å²	29	46.7 Å²	46.7	24%	0.24	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	153.2	167	0	0	0	0	0	110.3	S136 S137	A134-S136 VanDerWaalsContact C-N 3.26Å; A134-S136 PolarHBondContact O-N 3.38Å; A134-S137 PolarHBondContact N-O 3.25Å; A134-S137 PolarHBondContact O-N 3.17Å; A134-S137 VanDerWaalsContact O-O 3.07Å; A134-S137 PolarHBondContact O-OG 3.36Å
135	D	85.8	Confident	84.6	Confident	110 Å²	110	39.2 Å²	39.2	59%	0.588	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	46.6	-179.7	-51.1	-50	0	0	0	112.1	S137	D135-S137 PolarHBondContact O-N 3.23Å
136	S	87.2	Confident	83.1	Confident	35 Å²	35	41.3 Å²	41.3	25%	0.245	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	21.4	-177	-44	0	0	0	0	115.3	D66 Y133 A134	D66-S136 WeakPolarHBondContact OD1-CB 3.38Å; D66-S136 PolarHBondContact OD1-OG 2.99Å; Y133-S136 WeakPolarHBondContact OH-CA 3.39Å; A134-S136 VanDerWaalsContact C-N 3.26Å; A134-S136 PolarHBondContact O-N 3.38Å
137	S	90.3	Very high	81.5	Confident	22 Å²	22	46.8 Å²	46.8	15%	0.154	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	149	-174.6	74.6	0	0	0	0	113.1	Y133 A134 D135 F153	Y133-S137 WeakPolarHBondContact CA-O 3.41Å; Y133-S137 WeakPolarHBondContact CD2-O 3.5Å; A134-S137 PolarHBondContact N-O 3.25Å; A134-S137 PolarHBondContact O-N 3.17Å; A134-S137 VanDerWaalsContact O-O 3.07Å; A134-S137 PolarHBondContact O-OG 3.36Å; D135-S137 PolarHBondContact O-N 3.23Å; S137-F153 CarbonylContact C-O 3.46Å; S137-F153 WeakPolarHBondContact CA-O 3.31Å
138	F	92.1	Very high	79.7	Confident	1 Å²	1	51.2 Å²	51.2	0%	0.004	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	136.9	179.1	-62.9	-85.1	0	0	0	111.3	I70 T73 F116 I131 E132 Y133 A152 F153 V156 L159	I70-F138 HydrophobicContact CG1-CZ 4.44Å; T73-F138 HydrophobicContact CG2-CE1 4.48Å; T73-F138 HydrophobicContact CG2-CE2 4.04Å; T73-F138 HydrophobicContact CG2-CZ 3.91Å; T73-F138 VanDerWaalsContact OG1-CE2 3.28Å; T73-F138 WeakPolarHBondContact OG1-CE2 3.32Å; F116-F138 HydrophobicContact CD2-CE1 4.12Å; F116-F138 HydrophobicContact CE2-CE1 4.02Å; I131-F138 HydrophobicContact CG2-CB 4.14Å; I131-F138 HydrophobicContact CG2-CD1 4.03Å; E132-F138 CarbonylContact O-C 3.6Å; E132-F138 VanDerWaalsContact O-CA 3.31Å; E132-F138 WeakPolarHBondContact O-CA 3.38Å; Y133-F138 AromaticContact CD2-CD1 3.74Å; Y133-F138 HydrophobicContact CD2-CD1 3.74Å; Y133-F138 HydrophobicContact CD2-CD2 4.11Å; Y133-F138 AromaticContact CD2-CE1 3.45Å; Y133-F138 HydrophobicContact CD2-CE1 3.45Å; Y133-F138 VanDerWaalsContact CD2-CE1 3.45Å; Y133-F138 AromaticContact CD2-CE2 3.84Å; Y133-F138 HydrophobicContact CD2-CE2 3.84Å; Y133-F138 HydrophobicContact CD2-CG 4.08Å; Y133-F138 AromaticContact CD2-CZ 3.5Å; Y133-F138 HydrophobicContact CD2-CZ 3.5Å; Y133-F138 HydrophobicContact CE2-CD2 4.33Å; Y133-F138 HydrophobicContact CE2-CE1 4.14Å; Y133-F138 AromaticContact CE2-CE2 3.8Å; Y133-F138 HydrophobicContact CE2-CE2 3.8Å; Y133-F138 AromaticContact CE2-CZ 3.69Å; Y133-F138 HydrophobicContact CE2-CZ 3.69Å; Y133-F138 HydrophobicContact CG-CD1 4.45Å; Y133-F138 HydrophobicContact CG-CE1 4.11Å; Y133-F138 HydrophobicContact CG-CZ 4.45Å; F138-A152 CarbonylContact O-C 3.56Å; F138-A152 WeakPolarHBondContact O-CA 3.41Å; F138-F153 PolarHBondContact N-O 3.3Å; F138-F153 PolarHBondContact O-N 3.28Å; F138-V156 HydrophobicContact CB-CG2 4.18Å; F138-V156 HydrophobicContact CD1-CG2 3.52Å; F138-V156 HydrophobicContact CD2-CG2 4.24Å; F138-V156 HydrophobicContact CE1-CG2 3.9Å; F138-V156 HydrophobicContact CG-CG2 3.7Å; F138-V156 HydrophobicContact CZ-CG2 4.41Å; F138-L159 HydrophobicContact CB-CD1 4.19Å
139	R	90.9	Very high	78.2	Confident	63 Å²	63	59.2 Å²	59.2	24%	0.238	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	157.4	175.8	65.7	-176.2	175.5	-92.8	-3.6	111.6	I131 E132 I150	I131-R139 CarbonylContact C-O 3.57Å; I131-R139 WeakPolarHBondContact CA-O 3.37Å; E132-R139 HydrophobicContact CB-CG 3.71Å; E132-R139 PolarHBondContact N-O 2.99Å; E132-R139 PolarHBondContact O-N 2.93Å; E132-R139 IonicContact OE2-CZ 3.24Å; E132-R139 IonicContact OE2-NE 2.81Å; E132-R139 PolarHBondContact OE2-NE 2.6Å; E132-R139 IonicContact OE2-NH2 3.19Å; E132-R139 PolarHBondContact OE2-NH2 3.07Å; R139-I150 HydrophobicContact CB-CG2 3.76Å; R139-I150 HydrophobicContact CG-CG2 4.22Å
140	L	88.8	Confident	77.1	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	143.5	171.5	-66.1	-179.5	0	0	0	110.5	L118 V129 I131 S142 L145 L159 Y163 L208	L118-L140 HydrophobicContact CD2-CD2 4.23Å; V129-L140 HydrophobicContact CG1-CB 4.23Å; V129-L140 HydrophobicContact CG1-CD2 3.96Å; I131-L140 HydrophobicContact CG1-CD2 3.95Å; L140-S142 PolarHBondContact O-N 3.31Å; L140-L145 HydrophobicContact CB-CD1 4.11Å; L140-L145 HydrophobicContact CD1-CD2 4.06Å; L140-L159 HydrophobicContact CD1-CD2 4.26Å; L140-L159 HydrophobicContact CD2-CD1 4.48Å; L140-L159 HydrophobicContact CD2-CD2 3.84Å; L140-L159 HydrophobicContact CG-CD1 4.32Å; L140-L159 HydrophobicContact CG-CD2 3.89Å; L140-Y163 HydrophobicContact CD1-CD1 4.32Å; L140-Y163 HydrophobicContact CD1-CD2 3.73Å; L140-Y163 HydrophobicContact CD1-CE1 4.06Å; L140-Y163 HydrophobicContact CD1-CE2 3.45Å; L140-Y163 VanDerWaalsContact CD1-CE2 3.45Å; L140-Y163 HydrophobicContact CD1-CG 4.18Å; L140-Y163 HydrophobicContact CG-CD2 4.46Å; L140-Y163 HydrophobicContact CG-CE2 3.9Å; L140-L208 HydrophobicContact CD1-CD2 3.65Å
141	D	83.5	Confident	76.7	Confident	32 Å²	32	61.7 Å²	61.7	17%	0.171	32%	0.321	C	S	.	.			trans	-56	125.8	173	-177	-7.5	0	0	0	111	R130 N143 C144	R130-D141 HydrophobicContact CB-CB 4.34Å; R130-D141 WeakPolarHBondContact O-CB 3.4Å; R130-D141 PolarHBondContact O-N 3.33Å; D141-N143 PolarHBondContact O-N 3.39Å; D141-N143 PolarHBondContact OD1-N 3.35Å; D141-C144 PolarHBondContact O-N 2.92Å
142	S	66.4	Low	76.4	Confident	69 Å²	69	64.6 Å²	64.6	48%	0.483	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-48.4	-33	-177.2	-48.6	0	0	0	0	113.5	L140 C144 I150	L140-S142 PolarHBondContact O-N 3.31Å; S142-C144 PolarHBondContact O-N 2.74Å; S142-I150 WeakPolarHBondContact OG-CD1 3.32Å
143	N	62.7	Low	76.3	Confident	148 Å²	148	64.1 Å²	64.1	79%	0.791	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-73.1	-11.9	-170.1	-152.7	44.2	0	0	0	113.9	D141	D141-N143 PolarHBondContact O-N 3.39Å; D141-N143 PolarHBondContact OD1-N 3.35Å
144	C	57.1	Low	76.4	Confident	17 Å²	17	65.9 Å²	65.9	12%	0.115	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-106.1	-2.7	-175.1	-65.8	0	0	0	0	114.1	V129 D141 S142	V129-C144 HydrophobicContact CB-CB 4.31Å; V129-C144 HydrophobicContact CG1-CB 3.73Å; V129-C144 HydrophobicContact CG2-CB 3.72Å; D141-C144 PolarHBondContact O-N 2.92Å; S142-C144 PolarHBondContact O-N 2.74Å
145	L	61.6	Low	76.6	Confident	28 Å²	28	65.2 Å²	65.2	15%	0.147	35%	0.352	C	S	.	.			trans	-107.9	123.8	-175.6	-62.9	178.4	0	0	0	110.4	L140 R147 I150 Y163 L208	L140-L145 HydrophobicContact CB-CD1 4.11Å; L140-L145 HydrophobicContact CD1-CD2 4.06Å; L145-R147 PolarHBondContact O-N 3.05Å; L145-I150 HydrophobicContact CD1-CG1 4.33Å; L145-Y163 HydrophobicContact CD1-CE1 4.27Å; L145-Y163 HydrophobicContact CD2-CE1 4.03Å; L145-L208 HydrophobicContact CD2-CB 4.25Å; L145-L208 HydrophobicContact CD2-CD2 3.79Å
146	S	56.9	Low	77	Confident	56 Å²	56	60 Å²	60	39%	0.392	32%	0.324	S	S	.	.	S	Bend	trans	-71.5	-15	169.4	54.4	0	0	0	0	112.9
147	R	58.6	Low	77.3	Confident	135 Å²	135	58.3 Å²	58.3	51%	0.509	31%	0.313	S	S	.	.	S	Bend	trans	-103.5	127.5	175.4	-70.3	-177.5	175.7	163.5	0.8	110.1	L145 R149 D170	L145-R147 PolarHBondContact O-N 3.05Å; R147-R149 PolarHBondContact O-N 3.16Å; R147-D170 IonicContact CZ-OD1 3Å; R147-D170 IonicContact CZ-OD2 3.5Å; R147-D170 VanDerWaalsContact CZ-OD2 3.31Å; R147-D170 IonicContact NH1-OD1 3.01Å; R147-D170 IonicContact NH1-OD2 2.78Å; R147-D170 PolarHBondContact NH1-OD2 3.43Å; R147-D170 IonicContact NH2-OD1 3.31Å; R147-D170 PolarHBondContact NH2-OD1 2.85Å; R147-D170 IonicContact NH2-OD2 2.75Å; R147-D170 PolarHBondContact NH2-OD2 2.66Å
148	P	52.8	Low	77.4	Confident	128 Å²	128	58.8 Å²	58.8	83%	0.831	32%	0.316	S	S	*	.	S	Bend	trans	-73.4	11.6	-178.2	29.6	-35	0	0	0	114.4	I150	P148-I150 PolarHBondContact O-N 3.2Å
149	R	60.9	Low	77.5	Confident	202 Å²	202	58.7 Å²	58.7	76%	0.762	32%	0.316	S	S	*	.			trans	-93.5	77.3	177.5	-63.8	-173.6	-177.2	-178.8	0.8	109.3	R147 L151	R147-R149 PolarHBondContact O-N 3.16Å; R149-L151 PolarHBondContact O-N 3.13Å
150	I	68.9	Low	77.5	Confident	67 Å²	67	55.7 Å²	55.7	34%	0.344	30%	0.304	S	S	.	.			trans	-68.9	111.3	165.8	-59.1	162.3	0	0	0	106	R139 S142 L145 P148	R139-I150 HydrophobicContact CB-CG2 3.76Å; R139-I150 HydrophobicContact CG-CG2 4.22Å; S142-I150 WeakPolarHBondContact OG-CD1 3.32Å; L145-I150 HydrophobicContact CD1-CG1 4.33Å; P148-I150 PolarHBondContact O-N 3.2Å
151	L	82.3	Confident	77.7	Confident	64 Å²	64	57.9 Å²	57.9	34%	0.335	31%	0.314	S	S	.	.			trans	-99.1	135	178.2	-65.9	175.5	0	0	0	108.5	R149 F153 H162	R149-L151 PolarHBondContact O-N 3.13Å; L151-F153 HydrophobicContact CB-CD2 4.28Å; L151-F153 HydrophobicContact CB-CE2 3.39Å; L151-F153 HydrophobicContact CB-CZ 3.53Å; L151-F153 HydrophobicContact CD1-CZ 3.96Å; L151-F153 HydrophobicContact CG-CZ 4.41Å; L151-F153 WeakPolarHBondContact O-CD2 3.38Å; L151-F153 WeakPolarHBondContact O-CE2 3.46Å; L151-H162 WeakPolarHBondContact CD1-CE1 3.48Å
152	A	86.9	Confident	78	Confident	63 Å²	63	59.9 Å²	59.9	52%	0.521	32%	0.322	S	S	.	.			trans	-92	137.6	172.2	0	0	0	0	0	109.3	F138	F138-A152 CarbonylContact O-C 3.56Å; F138-A152 WeakPolarHBondContact O-CA 3.41Å
153	F	90.8	Very high	79	Confident	26 Å²	26	57.7 Å²	57.7	11%	0.114	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-130.7	150.1	-178.5	-62.4	-87.6	0	0	0	110.4	S137 F138 L151 D155 L159 H162 Y163	S137-F153 CarbonylContact C-O 3.46Å; S137-F153 WeakPolarHBondContact CA-O 3.31Å; F138-F153 PolarHBondContact N-O 3.3Å; F138-F153 PolarHBondContact O-N 3.28Å; L151-F153 HydrophobicContact CB-CD2 4.28Å; L151-F153 HydrophobicContact CB-CE2 3.39Å; L151-F153 HydrophobicContact CB-CZ 3.53Å; L151-F153 HydrophobicContact CD1-CZ 3.96Å; L151-F153 HydrophobicContact CG-CZ 4.41Å; L151-F153 WeakPolarHBondContact O-CD2 3.38Å; L151-F153 WeakPolarHBondContact O-CE2 3.46Å; F153-D155 PolarHBondContact O-N 2.85Å; F153-L159 HydrophobicContact CB-CB 3.96Å; F153-L159 HydrophobicContact CD2-CB 3.49Å; F153-L159 VanDerWaalsContact CD2-CB 3.49Å; F153-L159 HydrophobicContact CD2-CD1 3.91Å; F153-L159 HydrophobicContact CD2-CG 3.61Å; F153-L159 HydrophobicContact CE2-CB 4.11Å; F153-L159 HydrophobicContact CE2-CG 3.96Å; F153-L159 HydrophobicContact CG-CB 3.79Å; F153-L159 HydrophobicContact CG-CG 4.41Å; F153-H162 HydrophobicContact CE1-CB 3.7Å; F153-H162 AromaticContact CE1-CG 3.84Å; F153-H162 HydrophobicContact CZ-CB 3.66Å; F153-H162 AromaticContact CZ-CG 3.57Å; F153-H162 AromaticContact CZ-ND1 3.73Å; F153-Y163 HydrophobicContact CE2-CE2 4.01Å
154	P	91	Very high	80.3	Confident	89 Å²	89	51.8 Å²	51.8	58%	0.578	27%	0.273	S	S	*	.	S	Bend	trans	-68.7	-21.2	177.9	28.6	-35.6	0	0	0	113	C69	C69-P154 PolarHBondContact SG-O 2.89Å; C69-P154 VanDerWaalsContact SG-O 3.35Å
155	D	92.8	Very high	81.7	Confident	15 Å²	15	53.9 Å²	53.9	8%	0.08	29%	0.292	C	S	.	.	S	Bend	trans	-148.8	156.5	-179.5	69.4	86.8	0	0	0	111.7	Y76 F153 V157 S158 L159 F256	Y76-D155 HydrophobicContact CD2-CB 4.39Å; F153-D155 PolarHBondContact O-N 2.85Å; D155-V157 VanDerWaalsContact C-N 3.31Å; D155-V157 PolarHBondContact O-N 2.84Å; D155-V157 WeakPolarHBondContact OD1-CA 3.33Å; D155-V157 WeakPolarHBondContact OD1-CB 3.41Å; D155-V157 PolarHBondContact OD1-N 3.28Å; D155-S158 VanDerWaalsContact CG-OG 3.24Å; D155-S158 WeakPolarHBondContact OD1-CB 3.44Å; D155-S158 PolarHBondContact OD1-N 2.92Å; D155-S158 PolarHBondContact OD1-OG 3Å; D155-S158 WeakPolarHBondContact OD2-CB 3.31Å; D155-S158 PolarHBondContact OD2-OG 2.84Å; D155-L159 PolarHBondContact O-N 3.28Å; D155-F256 WeakPolarHBondContact OD1-CE1 3.48Å; D155-F256 WeakPolarHBondContact OD1-CZ 3.49Å
156	V	94.1	Very high	82.8	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-68.4	-28.8	-177.5	174.6	0	0	0	0	112.6	T73 L77 F116 I131 F138 L159 V160	T73-V156 HydrophobicContact CG2-CB 3.79Å; T73-V156 HydrophobicContact CG2-CG2 3.62Å; L77-V156 HydrophobicContact CD1-CB 4.36Å; L77-V156 HydrophobicContact CD1-CG1 4.43Å; L77-V156 HydrophobicContact CD2-CB 4.32Å; L77-V156 HydrophobicContact CD2-CG1 3.95Å; F116-V156 HydrophobicContact CD2-CG2 3.93Å; F116-V156 HydrophobicContact CE2-CG2 4.35Å; I131-V156 HydrophobicContact CD1-CG1 3.79Å; I131-V156 HydrophobicContact CD1-CG2 4.46Å; I131-V156 HydrophobicContact CG2-CG2 4.23Å; F138-V156 HydrophobicContact CB-CG2 4.18Å; F138-V156 HydrophobicContact CD1-CG2 3.52Å; F138-V156 HydrophobicContact CD2-CG2 4.24Å; F138-V156 HydrophobicContact CE1-CG2 3.9Å; F138-V156 HydrophobicContact CG-CG2 3.7Å; F138-V156 HydrophobicContact CZ-CG2 4.41Å; V156-L159 WeakPolarHBondContact O-CB 3.43Å; V156-L159 PolarHBondContact O-N 3.05Å; V156-V160 HydrophobicContact CG1-CG2 4.31Å; V156-V160 VanDerWaalsContact O-CG2 3.31Å; V156-V160 WeakPolarHBondContact O-CG2 3.31Å; V156-V160 PolarHBondContact O-N 3.18Å
157	V	94.1	Very high	84	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-72.9	-44	-177.5	-177.9	0	0	0	0	110.4	L77 W82 D155 L159 V160 Q161 F256	L77-V157 HydrophobicContact CD2-CG2 4.13Å; L77-V157 HydrophobicContact CG-CG2 4.47Å; W82-V157 HydrophobicContact CH2-CB 4.49Å; W82-V157 HydrophobicContact CH2-CG1 4.42Å; W82-V157 HydrophobicContact CH2-CG2 4Å; W82-V157 HydrophobicContact CZ2-CG1 4.06Å; W82-V157 HydrophobicContact CZ2-CG2 4.24Å; D155-V157 VanDerWaalsContact C-N 3.31Å; D155-V157 PolarHBondContact O-N 2.84Å; D155-V157 WeakPolarHBondContact OD1-CA 3.33Å; D155-V157 WeakPolarHBondContact OD1-CB 3.41Å; D155-V157 PolarHBondContact OD1-N 3.28Å; V157-L159 VanDerWaalsContact C-N 3.32Å; V157-L159 PolarHBondContact O-N 2.99Å; V157-V160 PolarHBondContact O-N 2.71Å; V157-Q161 VanDerWaalsContact O-CB 3.31Å; V157-Q161 WeakPolarHBondContact O-CB 3.14Å; V157-Q161 PolarHBondContact O-N 2.71Å; V157-F256 HydrophobicContact CB-CD1 4.05Å; V157-F256 HydrophobicContact CB-CD2 4.16Å; V157-F256 HydrophobicContact CB-CE1 4.05Å; V157-F256 HydrophobicContact CB-CE2 4.17Å; V157-F256 HydrophobicContact CB-CG 4.09Å; V157-F256 HydrophobicContact CB-CZ 4.11Å; V157-F256 HydrophobicContact CG1-CB 3.65Å; V157-F256 HydrophobicContact CG1-CD1 3.62Å; V157-F256 HydrophobicContact CG1-CD2 3.68Å; V157-F256 HydrophobicContact CG1-CE1 4.15Å; V157-F256 HydrophobicContact CG1-CE2 4.21Å; V157-F256 HydrophobicContact CG1-CG 3.35Å; V157-F256 HydrophobicContact CG1-CZ 4.41Å
158	S	93.2	Very high	85	Confident	31 Å²	31	48.8 Å²	48.8	22%	0.217	28%	0.283	C	S	.	.	H	α-helix	trans	-54.9	-47.4	169.8	-70.9	0	0	0	0	111.5	D155 Q161 H162 F256	D155-S158 VanDerWaalsContact CG-OG 3.24Å; D155-S158 WeakPolarHBondContact OD1-CB 3.44Å; D155-S158 PolarHBondContact OD1-N 2.92Å; D155-S158 PolarHBondContact OD1-OG 3Å; D155-S158 WeakPolarHBondContact OD2-CB 3.31Å; D155-S158 PolarHBondContact OD2-OG 2.84Å; S158-Q161 PolarHBondContact O-N 3Å; S158-H162 WeakPolarHBondContact O-CB 3.49Å; S158-H162 PolarHBondContact O-N 2.79Å; S158-F256 WeakPolarHBondContact OG-CE1 2.98Å
159	L	92.5	Very high	86.1	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-54.2	-56.8	175.5	179.6	158.3	0	0	0	110.3	I131 F138 L140 F153 D155 V156 V157 Q161 H162 Y163	I131-L159 HydrophobicContact CG2-CD1 4.47Å; F138-L159 HydrophobicContact CB-CD1 4.19Å; L140-L159 HydrophobicContact CD1-CD2 4.26Å; L140-L159 HydrophobicContact CD2-CD1 4.48Å; L140-L159 HydrophobicContact CD2-CD2 3.84Å; L140-L159 HydrophobicContact CG-CD1 4.32Å; L140-L159 HydrophobicContact CG-CD2 3.89Å; F153-L159 HydrophobicContact CB-CB 3.96Å; F153-L159 HydrophobicContact CD2-CB 3.49Å; F153-L159 VanDerWaalsContact CD2-CB 3.49Å; F153-L159 HydrophobicContact CD2-CD1 3.91Å; F153-L159 HydrophobicContact CD2-CG 3.61Å; F153-L159 HydrophobicContact CE2-CB 4.11Å; F153-L159 HydrophobicContact CE2-CG 3.96Å; F153-L159 HydrophobicContact CG-CB 3.79Å; F153-L159 HydrophobicContact CG-CG 4.41Å; D155-L159 PolarHBondContact O-N 3.28Å; V156-L159 WeakPolarHBondContact O-CB 3.43Å; V156-L159 PolarHBondContact O-N 3.05Å; V157-L159 VanDerWaalsContact C-N 3.32Å; V157-L159 PolarHBondContact O-N 2.99Å; L159-Q161 VanDerWaalsContact C-N 3.34Å; L159-Q161 PolarHBondContact O-N 3.26Å; L159-H162 PolarHBondContact O-N 3.32Å; L159-Y163 HydrophobicContact CD2-CD2 3.74Å; L159-Y163 HydrophobicContact CD2-CE2 3.93Å; L159-Y163 HydrophobicContact CG-CD2 4.05Å; L159-Y163 HydrophobicContact CG-CE2 3.9Å; L159-Y163 WeakPolarHBondContact O-CD2 3.42Å; L159-Y163 PolarHBondContact O-N 3.48Å; L159-Y163 VanDerWaalsContact O-N 3.11Å
160	V	92.4	Very high	86.4	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-60.9	-44.6	-177.5	169.7	0	0	0	0	111	W82 F104 V106 V156 V157 H162 Y163 V164	W82-V160 HydrophobicContact CH2-CB 4.33Å; W82-V160 HydrophobicContact CH2-CG1 4.34Å; W82-V160 HydrophobicContact CH2-CG2 4.33Å; W82-V160 HydrophobicContact CZ3-CG2 4.5Å; F104-V160 HydrophobicContact CD2-CG1 4.32Å; F104-V160 HydrophobicContact CE1-CG1 4.39Å; F104-V160 HydrophobicContact CE2-CG1 3.42Å; F104-V160 VanDerWaalsContact CE2-CG1 3.42Å; F104-V160 HydrophobicContact CZ-CG1 3.46Å; F104-V160 VanDerWaalsContact CZ-CG1 3.46Å; V106-V160 HydrophobicContact CG2-CG2 4.45Å; V156-V160 HydrophobicContact CG1-CG2 4.31Å; V156-V160 VanDerWaalsContact O-CG2 3.31Å; V156-V160 WeakPolarHBondContact O-CG2 3.31Å; V156-V160 PolarHBondContact O-N 3.18Å; V157-V160 PolarHBondContact O-N 2.71Å; V160-H162 VanDerWaalsContact C-N 3.33Å; V160-H162 PolarHBondContact O-N 2.86Å; V160-Y163 PolarHBondContact O-N 2.74Å; V160-V164 HydrophobicContact CG1-CG2 4.2Å; V160-V164 VanDerWaalsContact O-CG2 3.27Å; V160-V164 WeakPolarHBondContact O-CG2 3.42Å; V160-V164 PolarHBondContact O-N 3.18Å
161	Q	91.7	Very high	85.8	Confident	46 Å²	46	40 Å²	40	22%	0.215	26%	0.256	C	S	.	.	H	α-helix	trans	-60	-42.6	179.4	-176.6	171.8	-57.5	0	0	111.8	V157 S158 L159 V164 A165 L258	V157-Q161 VanDerWaalsContact O-CB 3.31Å; V157-Q161 WeakPolarHBondContact O-CB 3.14Å; V157-Q161 PolarHBondContact O-N 2.71Å; S158-Q161 PolarHBondContact O-N 3Å; L159-Q161 VanDerWaalsContact C-N 3.34Å; L159-Q161 PolarHBondContact O-N 3.26Å; Q161-V164 PolarHBondContact O-N 3.21Å; Q161-A165 WeakPolarHBondContact O-CB 3.49Å; Q161-A165 PolarHBondContact O-N 3.01Å; Q161-L258 HydrophobicContact CB-CD1 4.1Å; Q161-L258 HydrophobicContact CG-CD1 4.23Å
162	H	90.2	Very high	84.3	Confident	73 Å²	73	47.9 Å²	47.9	34%	0.338	28%	0.282	S	S	.	.	H	α-helix	trans	-61.9	-46	176.2	177.6	-82.3	0	0	0	111.9	L151 F153 S158 L159 V160 A165 S166	L151-H162 WeakPolarHBondContact CD1-CE1 3.48Å; F153-H162 HydrophobicContact CE1-CB 3.7Å; F153-H162 AromaticContact CE1-CG 3.84Å; F153-H162 HydrophobicContact CZ-CB 3.66Å; F153-H162 AromaticContact CZ-CG 3.57Å; F153-H162 AromaticContact CZ-ND1 3.73Å; S158-H162 WeakPolarHBondContact O-CB 3.49Å; S158-H162 PolarHBondContact O-N 2.79Å; L159-H162 PolarHBondContact O-N 3.32Å; V160-H162 VanDerWaalsContact C-N 3.33Å; V160-H162 PolarHBondContact O-N 2.86Å; H162-A165 PolarHBondContact O-N 2.79Å; H162-S166 PolarHBondContact CE1-OG 3.46Å; H162-S166 VanDerWaalsContact CE1-OG 3.29Å; H162-S166 WeakPolarHBondContact O-CB 3.27Å; H162-S166 PolarHBondContact O-N 2.95Å; H162-S166 PolarHBondContact O-OG 3.11Å
163	Y	87.5	Confident	82.5	Confident	23 Å²	23	50.1 Å²	50.1	9%	0.09	29%	0.294	C	S	.	.	H	α-helix	trans	-66.9	-37.7	178.6	-78.1	-75.5	0	0	0	112.2	L140 L145 F153 L159 V160 S166 C167	L140-Y163 HydrophobicContact CD1-CD1 4.32Å; L140-Y163 HydrophobicContact CD1-CD2 3.73Å; L140-Y163 HydrophobicContact CD1-CE1 4.06Å; L140-Y163 HydrophobicContact CD1-CE2 3.45Å; L140-Y163 VanDerWaalsContact CD1-CE2 3.45Å; L140-Y163 HydrophobicContact CD1-CG 4.18Å; L140-Y163 HydrophobicContact CG-CD2 4.46Å; L140-Y163 HydrophobicContact CG-CE2 3.9Å; L145-Y163 HydrophobicContact CD1-CE1 4.27Å; L145-Y163 HydrophobicContact CD2-CE1 4.03Å; F153-Y163 HydrophobicContact CE2-CE2 4.01Å; L159-Y163 HydrophobicContact CD2-CD2 3.74Å; L159-Y163 HydrophobicContact CD2-CE2 3.93Å; L159-Y163 HydrophobicContact CG-CD2 4.05Å; L159-Y163 HydrophobicContact CG-CE2 3.9Å; L159-Y163 WeakPolarHBondContact O-CD2 3.42Å; L159-Y163 PolarHBondContact O-N 3.48Å; L159-Y163 VanDerWaalsContact O-N 3.11Å; V160-Y163 PolarHBondContact O-N 2.74Å; Y163-S166 PolarHBondContact O-N 3.47Å; Y163-C167 PolarHBondContact O-N 2.97Å; Y163-C167 PolarHBondContact O-SG 2.93Å
164	V	89.4	Confident	80.4	Confident	24 Å²	24	55.8 Å²	55.8	15%	0.145	33%	0.325	C	S	.	.	H	α-helix	trans	-61.4	-47	172.9	172.2	0	0	0	0	111.1	F104 V160 Q161 S166 C167 A168 L210 L258	F104-V164 HydrophobicContact CE1-CG2 3.72Å; F104-V164 HydrophobicContact CZ-CG2 4.03Å; V160-V164 HydrophobicContact CG1-CG2 4.2Å; V160-V164 VanDerWaalsContact O-CG2 3.27Å; V160-V164 WeakPolarHBondContact O-CG2 3.42Å; V160-V164 PolarHBondContact O-N 3.18Å; Q161-V164 PolarHBondContact O-N 3.21Å; V164-S166 VanDerWaalsContact C-N 3.33Å; V164-S166 PolarHBondContact O-N 3.4Å; V164-C167 PolarHBondContact O-N 3.27Å; V164-A168 PolarHBondContact O-N 3.38Å; V164-A168 VanDerWaalsContact O-N 3.08Å; V164-L210 HydrophobicContact CB-CB 4.45Å; V164-L210 HydrophobicContact CG2-CB 3.54Å; V164-L210 HydrophobicContact CG2-CD1 4.39Å; V164-L258 HydrophobicContact CB-CD1 4.1Å; V164-L258 HydrophobicContact CG1-CD1 4.2Å; V164-L258 HydrophobicContact CG2-CD1 4.02Å
165	A	87.7	Confident	78	Confident	61 Å²	61	56.6 Å²	56.6	50%	0.504	33%	0.333	S	S	.	.	H	α-helix	trans	-63.1	-40.1	177.9	0	0	0	0	0	112.1	Q161 H162 A168 A169	Q161-A165 WeakPolarHBondContact O-CB 3.49Å; Q161-A165 PolarHBondContact O-N 3.01Å; H162-A165 PolarHBondContact O-N 2.79Å; A165-A168 PolarHBondContact O-N 2.97Å; A165-A169 PolarHBondContact O-N 2.84Å
166	S	84.7	Confident	76.2	Confident	36 Å²	36	61.9 Å²	61.9	25%	0.252	37%	0.368	S	S	.	.	H	α-helix	trans	-62.5	-43.3	177	-61	0	0	0	0	111.9	H162 Y163 V164 A168 A169 D170	H162-S166 PolarHBondContact CE1-OG 3.46Å; H162-S166 VanDerWaalsContact CE1-OG 3.29Å; H162-S166 WeakPolarHBondContact O-CB 3.27Å; H162-S166 PolarHBondContact O-N 2.95Å; H162-S166 PolarHBondContact O-OG 3.11Å; Y163-S166 PolarHBondContact O-N 3.47Å; V164-S166 VanDerWaalsContact C-N 3.33Å; V164-S166 PolarHBondContact O-N 3.4Å; S166-A168 VanDerWaalsContact C-N 3.34Å; S166-A168 PolarHBondContact O-N 2.89Å; S166-A169 PolarHBondContact O-N 3.24Å; S166-D170 PolarHBondContact O-N 3.41Å
167	C	81.8	Confident	74.1	Confident	19 Å²	19	69 Å²	69	13%	0.128	41%	0.406	C	S	.	.	H	α-helix	trans	-68.6	-30.8	177.3	-67.2	0	0	0	0	113.3	Y163 V164 A169 D170 T171 L208 K209	Y163-C167 PolarHBondContact O-N 2.97Å; Y163-C167 PolarHBondContact O-SG 2.93Å; V164-C167 PolarHBondContact O-N 3.27Å; C167-A169 VanDerWaalsContact C-N 3.33Å; C167-D170 PolarHBondContact O-N 3.41Å; C167-T171 PolarHBondContact O-OG1 2.94Å; C167-L208 PolarHBondContact SG-O 2.94Å; C167-K209 HydrophobicContact CB-CG 4.5Å
168	A	80.1	Confident	72	Confident	58 Å²	58	74.6 Å²	74.6	48%	0.479	44%	0.443	S	S	.	.	H	α-helix	trans	-68.2	-33.2	176.3	0	0	0	0	0	112.3	V164 A165 S166	V164-A168 PolarHBondContact O-N 3.38Å; V164-A168 VanDerWaalsContact O-N 3.08Å; A165-A168 PolarHBondContact O-N 2.97Å; S166-A168 VanDerWaalsContact C-N 3.34Å; S166-A168 PolarHBondContact O-N 2.89Å
169	A	74.9	Confident	69.6	Low	67 Å²	67	76.9 Å²	76.9	55%	0.554	46%	0.463	S	S	*	.	H	α-helix	trans	-68	-39.7	176.1	0	0	0	0	0	112.2	A165 S166 C167 T171 R172	A165-A169 PolarHBondContact O-N 2.84Å; S166-A169 PolarHBondContact O-N 3.24Å; C167-A169 VanDerWaalsContact C-N 3.33Å; A169-T171 VanDerWaalsContact C-N 3.34Å; A169-T171 PolarHBondContact O-N 2.82Å; A169-R172 PolarHBondContact O-N 3.36Å
170	D	66.4	Low	68.1	Low	70 Å²	70	82.4 Å²	82.4	37%	0.374	50%	0.499	S	S	.	.	H	α-helix	trans	-66.2	-33.6	-177.4	-66.2	-35.8	0	0	0	112.8	R147 S166 C167 R172 S173	R147-D170 IonicContact CZ-OD1 3Å; R147-D170 IonicContact CZ-OD2 3.5Å; R147-D170 VanDerWaalsContact CZ-OD2 3.31Å; R147-D170 IonicContact NH1-OD1 3.01Å; R147-D170 IonicContact NH1-OD2 2.78Å; R147-D170 PolarHBondContact NH1-OD2 3.43Å; R147-D170 IonicContact NH2-OD1 3.31Å; R147-D170 PolarHBondContact NH2-OD1 2.85Å; R147-D170 IonicContact NH2-OD2 2.75Å; R147-D170 PolarHBondContact NH2-OD2 2.66Å; S166-D170 PolarHBondContact O-N 3.41Å; C167-D170 PolarHBondContact O-N 3.41Å; D170-R172 PolarHBondContact O-N 2.79Å; D170-S173 PolarHBondContact O-N 3.06Å
171	T	57.3	Low	65.5	Low	75 Å²	75	89.1 Å²	89.1	46%	0.46	54%	0.54	S	S	.	.	G	3₁₀ helix	trans	-70.1	-19.4	-178.4	-48.9	0	0	0	0	112.7	C167 A169 S173	C167-T171 PolarHBondContact O-OG1 2.94Å; A169-T171 VanDerWaalsContact C-N 3.34Å; A169-T171 PolarHBondContact O-N 2.82Å; T171-S173 VanDerWaalsContact C-N 3.3Å
172	R	51.1	Low	63.4	Low	230 Å²	230	92.2 Å²	92.2	87%	0.868	56%	0.564	S	S	*	*	G	3₁₀ helix	trans	-80.2	-10	177.1	-71.7	-175.6	-179.3	176	0.8	113.7	A169 D170	A169-R172 PolarHBondContact O-N 3.36Å; D170-R172 PolarHBondContact O-N 2.79Å
173	S	49.2	Very low	61	Low	110 Å²	110	92.9 Å²	92.9	77%	0.769	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-89.5	-3.5	175.7	-168	0	0	0	0	113.3	D170 T171	D170-S173 PolarHBondContact O-N 3.06Å; T171-S173 VanDerWaalsContact C-N 3.3Å
174	D	46.8	Very low	58.8	Low	144 Å²	144	99.6 Å²	99.6	77%	0.77	62%	0.619	S	S	*	*			trans	-122.3	80.2	-172.5	-155	23.7	0	0	0	109.9
175	S	40.2	Very low	56.6	Low	107 Å²	107	103.7 Å²	103.7	75%	0.748	65%	0.646	S	S	*	*			trans	-102.8	140.2	172.1	59.3	0	0	0	0	111.2
176	P	55.3	Low	54.3	Low	125 Å²	125	109 Å²	109	81%	0.812	66%	0.662	S	S	*	*			trans	-102.1	134.1	-172.4	31.6	-19.6	0	0	0	116.2
177	D	48.6	Very low	52.5	Low	149 Å²	149	113.2 Å²	113.2	80%	0.797	69%	0.689	S	S	*	*			trans	66.5	149.4	146	-121.8	-7.2	0	0	0	122.3	A179	D177-A179 PolarHBondContact OD1-N 2.86Å
178	P	50.3	Low	50.5	Low	119 Å²	119	121.1 Å²	121.1	77%	0.773	72%	0.721	S	S	*	*				-144.4	136.1	68.7	37.4	-17	0	0	0	118.4
179	A	43.4	Very low	48.3	Very low	79 Å²	79	127.9 Å²	127.9	65%	0.653	74%	0.743	S	S	*	*				74.1	152.4	127	0	0	0	0	0	122.1	D177	D177-A179 PolarHBondContact OD1-N 2.86Å
180	P	61.8	Low	46.4	Very low	115 Å²	115	131.8 Å²	131.8	75%	0.747	76%	0.755	S	S	*	*			trans	-106.1	154.6	-158.4	38.8	-27.5	0	0	0	114.2
181	T	37.1	Very low	45.5	Very low	141 Å²	141	132.8 Å²	132.8	87%	0.865	77%	0.773	S	S	*	*			trans	-168	163.7	160.6	0.3	0	0	0	0	111.4
182	P	48	Very low	45	Very low	112 Å²	112	135.1 Å²	135.1	73%	0.727	79%	0.789	S	S	*	*				-119.4	154.9	-111.7	32.5	-12.9	0	0	0	116.6
183	A	38.6	Very low	44.5	Very low	87 Å²	87	132 Å²	132	72%	0.719	79%	0.789	S	S	*	*			trans	38.5	118.8	140.9	0	0	0	0	0	119.9
184	L	42.8	Very low	44.4	Very low	163 Å²	163	134 Å²	134	85%	0.853	79%	0.792	S	S	*	*				154.6	178.7	78.3	-83.1	179.9	0	0	0	107.6
185	P	41.9	Very low	44.5	Very low	111 Å²	111	133.1 Å²	133.1	72%	0.721	79%	0.794	S	S	*	*			cis	-133.1	155.1	-25.9	30	-8.5	0	0	0	116.3
186	M	40.1	Very low	44.5	Very low	171 Å²	171	132.7 Å²	132.7	84%	0.842	80%	0.797	S	S	*	*			trans	7	153	142.6	-61	-63.8	-178.2	0	0	121.6
187	P	47.5	Very low	44.6	Very low	125 Å²	125	134.4 Å²	134.4	81%	0.812	80%	0.798	S	S	*	*				-144.6	145.1	74.1	32	-9.6	0	0	0	119.7
188	K	39.5	Very low	44.6	Very low	185 Å²	185	133.3 Å²	133.3	80%	0.804	80%	0.799	S	S	*	*			trans	1.3	136	151.8	-66.3	176.5	172.9	179.9	0	120.8
189	E	34	Very low	44.6	Very low	200 Å²	200	131.7 Å²	131.7	94%	0.935	80%	0.796	S	S	*	*			trans	-146.9	146.9	137.9	-109.7	174.7	137	0	0	110.8
190	D	35.2	Very low	45.2	Very low	149 Å²	149	133.4 Å²	133.4	80%	0.797	80%	0.8	S	S	*	*			trans	-90.1	144.9	-155.6	-76.1	-62.2	0	0	0	116
191	A	46.2	Very low	45	Very low	91 Å²	91	133.1 Å²	133.1	75%	0.752	80%	0.799	S	S	*	*			trans	68	166.9	145.4	0	0	0	0	0	120.7
192	P	46.5	Very low	45.6	Very low	124 Å²	124	131.9 Å²	131.9	81%	0.805	79%	0.793	S	S	*	*			cis	-125.4	168.1	-31	22.4	0.1	0	0	0	113.8
193	N	42.3	Very low	45.7	Very low	164 Å²	164	131.1 Å²	131.1	88%	0.877	80%	0.796	S	S	*	*			trans	-51.7	132.9	178.5	-83	-32.8	0	0	0	116
194	D	45.5	Very low	46.3	Very low	152 Å²	152	131.6 Å²	131.6	81%	0.813	79%	0.79	S	S	*	*			trans	-133.2	135.4	147.8	-96.1	-32.9	0	0	0	109.1	A196	D194-A196 PolarHBondContact O-N 3.22Å
195	P	49.8	Very low	46.8	Very low	127 Å²	127	126.2 Å²	126.2	83%	0.825	77%	0.769	S	S	*	*			trans	-82.5	84.9	-177.8	33.5	-30.6	0	0	0	109.5	L197	P195-L197 PolarHBondContact O-N 3.01Å
196	A	40.9	Very low	47.7	Very low	97 Å²	97	122.6 Å²	122.6	80%	0.802	75%	0.745	S	S	*	*			trans	-73.4	121.8	170	0	0	0	0	0	110.2	D194	D194-A196 PolarHBondContact O-N 3.22Å
197	L	57.5	Low	49.1	Very low	161 Å²	161	121.1 Å²	121.1	84%	0.843	74%	0.736	S	S	*	*			trans	-28.7	137.9	168.5	-69.5	140.1	0	0	0	114.1	P195 A199	P195-L197 PolarHBondContact O-N 3.01Å; L197-A199 PolarHBondContact O-N 3.33Å; L197-A199 VanDerWaalsContact O-N 3.16Å
198	P	47.1	Very low	50.5	Low	126 Å²	126	116.1 Å²	116.1	82%	0.818	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-65.3	120.6	171	26.9	-30	0	0	0	108.9
199	A	50.5	Low	52.7	Low	86 Å²	86	111 Å²	111	71%	0.711	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-50.8	139.3	171.5	0	0	0	0	0	110.2	L197	L197-A199 PolarHBondContact O-N 3.33Å; L197-A199 VanDerWaalsContact O-N 3.16Å
200	P	56.8	Low	55.3	Low	114 Å²	114	101.5 Å²	101.5	74%	0.74	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-58.7	140.7	175.1	25.3	-32.5	0	0	0	109.2
201	P	56.9	Low	57.8	Low	110 Å²	110	98 Å²	98	71%	0.714	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-56.3	137.1	177.7	23.7	-32.3	0	0	0	108.9	A203	P201-A203 PolarHBondContact O-N 3.27Å; P201-A203 VanDerWaalsContact O-N 3.11Å
202	P	50.2	Low	59.9	Low	114 Å²	114	97.7 Å²	97.7	74%	0.74	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-54.3	126.7	176.5	23.7	-32.5	0	0	0	107.3	T204	P202-T204 PolarHBondContact O-N 3.39Å
203	A	50	Low	62.2	Low	96 Å²	96	93.5 Å²	93.5	79%	0.793	58%	0.575	S	S	*	*			trans	-40.1	114.3	177.5	0	0	0	0	0	108	P201 A205	P201-A203 PolarHBondContact O-N 3.27Å; P201-A203 VanDerWaalsContact O-N 3.11Å; A203-A205 PolarHBondContact O-N 2.98Å
204	T	50.8	Low	64.6	Low	97 Å²	97	86.8 Å²	86.8	60%	0.595	54%	0.538	S	S	*	.			trans	-69.1	79.3	-166.2	37.4	0	0	0	0	109.7	R124 P202 V206	R124-T204 VanDerWaalsContact NH1-CB 3.29Å; R124-T204 PolarHBondContact NH1-OG1 3.5Å; P202-T204 PolarHBondContact O-N 3.39Å; T204-V206 PolarHBondContact O-N 3.11Å
205	A	54.5	Low	66.7	Low	50 Å²	50	81.7 Å²	81.7	41%	0.413	51%	0.512	S	S	.	.			trans	-60	111.1	177.1	0	0	0	0	0	107.3	A203 H207	A203-A205 PolarHBondContact O-N 2.98Å; A205-H207 PolarHBondContact O-N 2.99Å; A205-H207 VanDerWaalsContact O-N 3.13Å; A205-H207 PolarHBondContact O-ND1 3.14Å
206	V	61	Low	68.2	Low	36 Å²	36	81.4 Å²	81.4	22%	0.218	50%	0.495	C	S	.	.			trans	-65.3	116.5	177.3	179.2	0	0	0	0	106.3	T122 T127 T204 L208	T122-V206 HydrophobicContact CG2-CG1 4.08Å; T127-V206 HydrophobicContact CG2-CG1 4.46Å; T204-V206 PolarHBondContact O-N 3.11Å; V206-L208 PolarHBondContact O-N 3.14Å
207	H	67.8	Low	69.8	Low	140 Å²	140	87.3 Å²	87.3	65%	0.648	50%	0.496	S	S	*	.			trans	-74.4	101.3	173.5	-70.3	67.4	0	0	0	107.1	A205 K209	A205-H207 PolarHBondContact O-N 2.99Å; A205-H207 VanDerWaalsContact O-N 3.13Å; A205-H207 PolarHBondContact O-ND1 3.14Å; H207-K209 PolarHBondContact O-N 3.31Å
208	L	78.6	Confident	70.4	Confident	19 Å²	19	84.1 Å²	84.1	10%	0.099	49%	0.487	C	S	.	.			trans	-71.6	101.1	177.8	-167.2	77.4	0	0	0	108.9	V120 V129 L140 L145 C167 V206 L210	V120-L208 HydrophobicContact CG1-CD1 3.58Å; V129-L208 HydrophobicContact CG2-CD1 3.67Å; L140-L208 HydrophobicContact CD1-CD2 3.65Å; L145-L208 HydrophobicContact CD2-CB 4.25Å; L145-L208 HydrophobicContact CD2-CD2 3.79Å; C167-L208 PolarHBondContact SG-O 2.94Å; V206-L208 PolarHBondContact O-N 3.14Å; L208-L210 HydrophobicContact CG-CG 4.49Å
209	K	84.8	Confident	71.5	Confident	77 Å²	77	80.5 Å²	80.5	34%	0.335	47%	0.465	S	S	.	.			trans	-101.8	114.1	174.8	-165.3	178.1	-176	170.2	0	109.2	G102 V120 C167 H207 V211	G102-K209 WeakPolarHBondContact CA-O 3.18Å; V120-K209 WeakPolarHBondContact CG2-O 3.4Å; C167-K209 HydrophobicContact CB-CG 4.5Å; H207-K209 PolarHBondContact O-N 3.31Å; K209-V211 HydrophobicContact CD-CG2 4.25Å; K209-V211 HydrophobicContact CG-CG2 3.94Å
210	L	87.8	Confident	72.6	Confident	2 Å²	2	80.8 Å²	80.8	1%	0.01	47%	0.468	C	S	.	.			trans	-107	123.8	171.7	-59.3	178.3	0	0	0	109.1	F104 L118 V120 V164 L208	F104-L210 HydrophobicContact CB-CD2 3.73Å; F104-L210 HydrophobicContact CD1-CB 4.08Å; F104-L210 HydrophobicContact CD1-CD2 3.82Å; F104-L210 HydrophobicContact CD1-CG 4.48Å; F104-L210 HydrophobicContact CE1-CB 4.26Å; F104-L210 HydrophobicContact CG-CD2 3.82Å; L118-L210 HydrophobicContact CD1-CD2 4.48Å; L118-L210 HydrophobicContact CD2-CD1 3.99Å; L118-L210 HydrophobicContact CD2-CD2 4Å; V120-L210 HydrophobicContact CB-CD2 4.02Å; V120-L210 HydrophobicContact CG2-CD2 3.73Å; V164-L210 HydrophobicContact CB-CB 4.45Å; V164-L210 HydrophobicContact CG2-CB 3.54Å; V164-L210 HydrophobicContact CG2-CD1 4.39Å; L208-L210 HydrophobicContact CG-CG 4.49Å
211	V	88.9	Confident	73.9	Confident	74 Å²	74	78 Å²	78	45%	0.448	44%	0.443	S	S	.	.			trans	-124.1	-55.1	-176.3	-179.7	0	0	0	0	110.7	G102 K209	G102-V211 PolarHBondContact O-N 3.44Å; K209-V211 HydrophobicContact CD-CG2 4.25Å; K209-V211 HydrophobicContact CG-CG2 3.94Å
212	Q	90.9	Very high	75.5	Confident	86 Å²	86	75.8 Å²	75.8	40%	0.402	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	142.7	-173.7	65.7	-176.9	-14.9	0	0	113	G102 T103 F104	G102-Q212 PolarHBondContact O-N 3.12Å; G102-Q212 VanDerWaalsContact O-N 3.14Å; T103-Q212 WeakPolarHBondContact CA-O 3.44Å; T103-Q212 HydrophobicContact CG2-CG 4.39Å; T103-Q212 PolarHBondContact OG1-NE2 2.74Å; T103-Q212 VanDerWaalsContact OG1-NE2 3.12Å; F104-Q212 WeakPolarHBondContact CD1-O 3.44Å; F104-Q212 WeakPolarHBondContact CE1-O 3.4Å; F104-Q212 PolarHBondContact N-O 3.26Å
213	P	93.5	Very high	77.6	Confident	35 Å²	35	76.9 Å²	76.9	23%	0.227	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	139.8	176.2	32.5	-36	0	0	0	111	W82 F104 V215 L258	W82-P213 HydrophobicContact CB-CB 3.59Å; W82-P213 HydrophobicContact CD2-CB 4.26Å; W82-P213 HydrophobicContact CG-CB 3.43Å; W82-P213 VanDerWaalsContact CG-CB 3.43Å; F104-P213 HydrophobicContact CE2-CB 4.14Å; F104-P213 HydrophobicContact CZ-CB 3.93Å; F104-P213 CarbonylContact O-C 3.53Å; P213-V215 HydrophobicContact CG-CG2 4.4Å; P213-V215 PolarHBondContact O-N 2.81Å; P213-L258 HydrophobicContact CB-CD2 3.97Å; P213-L258 HydrophobicContact CG-CD2 3.71Å
214	F	93.1	Very high	79.6	Confident	24 Å²	24	77.7 Å²	77.7	11%	0.105	42%	0.416	C	S	.	.			trans	-87.9	92.2	172	-172	-127.7	0	0	0	109.7	W84 H95 L96 M99 T103 F104 L105	W84-F214 AromaticContact CE2-CD1 3.6Å; W84-F214 AromaticContact CE2-CE1 3.83Å; W84-F214 HydrophobicContact CH2-CD1 4.04Å; W84-F214 AromaticContact CH2-CE1 3.36Å; W84-F214 HydrophobicContact CH2-CE1 3.36Å; W84-F214 HydrophobicContact CH2-CZ 4.05Å; W84-F214 AromaticContact CZ2-CD1 3.25Å; W84-F214 HydrophobicContact CZ2-CD1 3.25Å; W84-F214 AromaticContact CZ2-CE1 3.04Å; W84-F214 HydrophobicContact CZ2-CE1 3.04Å; W84-F214 HydrophobicContact CZ2-CG 4.22Å; W84-F214 AromaticContact CZ2-CZ 3.87Å; W84-F214 HydrophobicContact CZ2-CZ 3.87Å; W84-F214 HydrophobicContact CZ3-CE1 4.37Å; W84-F214 AromaticContact NE1-CD1 3.77Å; W84-F214 PolarHBondContact NE1-O 2.87Å; H95-F214 HydrophobicContact CB-CE1 3.77Å; H95-F214 HydrophobicContact CB-CZ 4.39Å; L96-F214 HydrophobicContact CD2-CB 4.47Å; M99-F214 HydrophobicContact CE-CE2 4.42Å; M99-F214 HydrophobicContact CG-CD2 4.09Å; M99-F214 HydrophobicContact CG-CE2 3.93Å; M99-F214 HydrophobicContact CG-CZ 4.49Å; M99-F214 HydrophobicContact SD-CD2 4Å; M99-F214 HydrophobicContact SD-CE2 3.6Å; M99-F214 HydrophobicContact SD-CZ 4.48Å; T103-F214 HydrophobicContact CG2-CB 3.72Å; T103-F214 HydrophobicContact CG2-CD2 4.21Å; T103-F214 HydrophobicContact CG2-CG 4.24Å; F104-F214 WeakPolarHBondContact O-CB 3.48Å; F104-F214 PolarHBondContact O-N 2.76Å; L105-F214 HydrophobicContact CB-CB 4.26Å; L105-F214 HydrophobicContact CD2-CD1 3.77Å
215	V	88.9	Confident	81.6	Confident	45 Å²	45	73.6 Å²	73.6	27%	0.273	39%	0.39	S	S	.	.			trans	-76.5	133.4	-179	-177.7	0	0	0	0	110.3	G81 P213 R217	G81-V215 WeakPolarHBondContact O-CA 3.4Å; G81-V215 WeakPolarHBondContact O-CG1 3.18Å; P213-V215 HydrophobicContact CG-CG2 4.4Å; P213-V215 PolarHBondContact O-N 2.81Å; V215-R217 PolarHBondContact O-N 3.1Å
216	R	81.3	Confident	83.4	Confident	121 Å²	121	74.6 Å²	74.6	46%	0.457	39%	0.388	S	S	.	.			trans	-69.4	122.7	179.1	-169.7	-179.5	-179.5	-177.7	1.4	110.2	G81 W84 S218 S219	G81-R216 PolarHBondContact O-N 2.93Å; W84-R216 HydrophobicContact CH2-CB 4.45Å; W84-R216 HydrophobicContact CH2-CG 4.15Å; W84-R216 HydrophobicContact CZ2-CB 3.93Å; W84-R216 HydrophobicContact CZ2-CG 4.13Å; W84-R216 HydrophobicContact CZ3-CG 4.41Å; R216-S218 WeakPolarHBondContact CD-OG 3.42Å; R216-S218 WeakPolarHBondContact CG-OG 3.43Å; R216-S218 PolarHBondContact NE-OG 2.83Å; R216-S218 PolarHBondContact O-N 2.78Å; R216-S218 VanDerWaalsContact O-N 3.17Å; R216-S219 CarbonylContact O-C 3.59Å; R216-S219 WeakPolarHBondContact O-CA 3.15Å; R216-S219 PolarHBondContact O-N 3.05Å
217	R	75.3	Confident	84.9	Confident	221 Å²	221	75.8 Å²	75.8	83%	0.834	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-30.9	-179.1	-69.5	-168.6	-179.3	98.6	1.2	114.3	V215 S219	V215-R217 PolarHBondContact O-N 3.1Å; R217-S219 PolarHBondContact O-N 3.29Å
218	S	70.7	Confident	86.2	Confident	93 Å²	93	69.2 Å²	69.2	65%	0.65	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-6.1	177.2	64.4	0	0	0	0	113.5	R216	R216-S218 WeakPolarHBondContact CD-OG 3.42Å; R216-S218 WeakPolarHBondContact CG-OG 3.43Å; R216-S218 PolarHBondContact NE-OG 2.83Å; R216-S218 PolarHBondContact O-N 2.78Å; R216-S218 VanDerWaalsContact O-N 3.17Å
219	S	69.9	Low	86.8	Confident	50 Å²	50	68.5 Å²	68.5	35%	0.35	36%	0.363	S	S	.	.	S	Bend	trans	-112.7	69.1	176.8	-177.8	0	0	0	0	108.7	R216 R217 R221	R216-S219 CarbonylContact O-C 3.59Å; R216-S219 WeakPolarHBondContact O-CA 3.15Å; R216-S219 PolarHBondContact O-N 3.05Å; R217-S219 PolarHBondContact O-N 3.29Å; S219-R221 PolarHBondContact O-N 2.82Å
220	A	72.9	Confident	87.2	Confident	93 Å²	93	68.5 Å²	68.5	77%	0.769	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-64	117.4	173.5	0	0	0	0	0	109.1
221	R	84.6	Confident	87.5	Confident	56 Å²	56	70.7 Å²	70.7	21%	0.211	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-64	139.6	175.9	-67.3	169.9	178.5	165.3	-14.2	109.2	S80 S219 L226 L258	S80-R221 PolarHBondContact O-NE 3.37Å; S80-R221 PolarHBondContact O-NH2 3.3Å; S219-R221 PolarHBondContact O-N 2.82Å; R221-L226 HydrophobicContact CB-CD2 3.97Å; R221-L226 HydrophobicContact CB-CG 4.15Å; R221-L258 PolarHBondContact NH2-OXT 3.01Å
222	S	90.9	Very high	87.6	Confident	62 Å²	62	67.6 Å²	67.6	43%	0.434	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-63.1	151.2	174.6	71.7	0	0	0	0	110.6	Q224 H225 L226	S222-Q224 PolarHBondContact O-N 3.11Å; S222-H225 PolarHBondContact O-N 3.02Å; S222-H225 PolarHBondContact OG-N 2.78Å; S222-H225 VanDerWaalsContact OG-N 3.16Å; S222-L226 WeakPolarHBondContact O-CG 3.24Å; S222-L226 PolarHBondContact O-N 3.24Å
223	L	92.8	Very high	87.6	Confident	137 Å²	137	70.1 Å²	70.1	72%	0.717	37%	0.367	S	S	*	.	H	α-helix	trans	-55	-38.4	173.8	-178.6	63.5	0	0	0	111.2	H225 L226 C227	L223-H225 VanDerWaalsContact C-N 3.33Å; L223-H225 PolarHBondContact O-N 3.38Å; L223-L226 PolarHBondContact O-N 3.3Å; L223-C227 PolarHBondContact O-N 2.92Å; L223-C227 PolarHBondContact O-SG 2.81Å
224	Q	93.8	Very high	87.4	Confident	114 Å²	114	75.2 Å²	75.2	53%	0.533	39%	0.392	S	S	.	.	H	α-helix	trans	-58.8	-42.9	177	-167.5	-170	-6.8	0	0	112.2	S222 R228 Y250	S222-Q224 PolarHBondContact O-N 3.11Å; Q224-R228 PolarHBondContact O-N 3.25Å; Q224-Y250 HydrophobicContact CG-CD1 4.24Å; Q224-Y250 HydrophobicContact CG-CE1 3.55Å; Q224-Y250 HydrophobicContact CG-CE2 4.46Å
225	H	92.2	Very high	87.2	Confident	10 Å²	10	76 Å²	76	5%	0.046	40%	0.398	C	S	.	.	H	α-helix	trans	-69.6	-40.3	176.4	-179.2	94.1	0	0	0	111.8	E79 S222 L223 C227 R228 L229 Y250	E79-H225 PolarHBondContact O-CE1 2.89Å; E79-H225 PolarHBondContact O-NE2 3.46Å; S222-H225 PolarHBondContact O-N 3.02Å; S222-H225 PolarHBondContact OG-N 2.78Å; S222-H225 VanDerWaalsContact OG-N 3.16Å; L223-H225 VanDerWaalsContact C-N 3.33Å; L223-H225 PolarHBondContact O-N 3.38Å; H225-C227 VanDerWaalsContact C-N 3.33Å; H225-C227 PolarHBondContact O-N 2.63Å; H225-R228 PolarHBondContact CE1-NH2 3.39Å; H225-R228 PolarHBondContact ND1-NH2 3.05Å; H225-R228 WeakPolarHBondContact O-CB 3.36Å; H225-R228 PolarHBondContact O-N 2.91Å; H225-R228 VanDerWaalsContact O-N 3.14Å; H225-L229 WeakPolarHBondContact O-CG 3.48Å; H225-L229 PolarHBondContact O-N 2.94Å; H225-Y250 VanDerWaalsContact CA-OH 3.22Å; H225-Y250 WeakPolarHBondContact CA-OH 3.39Å; H225-Y250 PolarHBondContact N-OH 3.2Å
226	L	91.5	Very high	86.8	Confident	72 Å²	72	80.9 Å²	80.9	38%	0.377	43%	0.428	S	S	.	.	H	α-helix	trans	-60.1	-43.6	174.8	-65.2	175.3	0	0	0	111.6	R221 S222 L223 R228 L229 V230	R221-L226 HydrophobicContact CB-CD2 3.97Å; R221-L226 HydrophobicContact CB-CG 4.15Å; S222-L226 WeakPolarHBondContact O-CG 3.24Å; S222-L226 PolarHBondContact O-N 3.24Å; L223-L226 PolarHBondContact O-N 3.3Å; L226-R228 VanDerWaalsContact C-N 3.34Å; L226-R228 PolarHBondContact O-N 3.35Å; L226-L229 PolarHBondContact O-N 2.82Å; L226-V230 WeakPolarHBondContact O-CG2 3.31Å; L226-V230 PolarHBondContact O-N 3.35Å; L226-V230 VanDerWaalsContact O-N 3.08Å
227	C	93.2	Very high	87	Confident	61 Å²	61	78.6 Å²	78.6	41%	0.412	43%	0.425	S	S	.	.	H	α-helix	trans	-60	-43.1	173.2	-67.9	0	0	0	0	111.7	L223 H225 L229 V230 I231	L223-C227 PolarHBondContact O-N 2.92Å; L223-C227 PolarHBondContact O-SG 2.81Å; H225-C227 VanDerWaalsContact C-N 3.33Å; H225-C227 PolarHBondContact O-N 2.63Å; C227-L229 PolarHBondContact O-N 2.85Å; C227-V230 PolarHBondContact O-N 2.78Å; C227-I231 VanDerWaalsContact O-CG1 3.28Å; C227-I231 WeakPolarHBondContact O-CG1 3.48Å; C227-I231 PolarHBondContact O-N 2.85Å
228	R	94.2	Very high	87.5	Confident	2 Å²	2	69 Å²	69	1%	0.008	39%	0.391	C	S	.	.	H	α-helix	trans	-57.2	-47.7	175.1	171.9	169.9	74	174.9	15.2	112.1	E79 Q224 H225 L226 V230 I231 N232 Y250 L251 Y254	E79-R228 IonicContact OE2-CZ 3.04Å; E79-R228 IonicContact OE2-NH1 2.67Å; E79-R228 PolarHBondContact OE2-NH1 3.08Å; E79-R228 IonicContact OE2-NH2 3.42Å; E79-R228 PolarHBondContact OE2-NH2 3.28Å; Q224-R228 PolarHBondContact O-N 3.25Å; H225-R228 PolarHBondContact CE1-NH2 3.39Å; H225-R228 PolarHBondContact ND1-NH2 3.05Å; H225-R228 WeakPolarHBondContact O-CB 3.36Å; H225-R228 PolarHBondContact O-N 2.91Å; H225-R228 VanDerWaalsContact O-N 3.14Å; L226-R228 VanDerWaalsContact C-N 3.34Å; L226-R228 PolarHBondContact O-N 3.35Å; R228-V230 VanDerWaalsContact C-N 3.31Å; R228-V230 PolarHBondContact O-N 2.85Å; R228-I231 PolarHBondContact O-N 3.08Å; R228-N232 WeakPolarHBondContact O-CB 3.28Å; R228-N232 PolarHBondContact O-N 3.03Å; R228-N232 PolarHBondContact O-OD1 3.27Å; R228-Y250 HydrophobicContact CB-CE1 3.84Å; R228-Y250 WeakPolarHBondContact CD-O 3.34Å; R228-Y250 HydrophobicContact CG-CE1 4.36Å; R228-Y250 PolarHBondContact NH1-O 2.83Å; R228-Y250 VanDerWaalsContact NH1-O 3.12Å; R228-L251 HydrophobicContact CB-CD2 3.74Å; R228-L251 HydrophobicContact CG-CD2 3.58Å; R228-Y254 VanDerWaalsContact NH2-CG 3.34Å
229	L	92.1	Very high	88.1	Confident	4 Å²	4	69.5 Å²	69.5	2%	0.021	39%	0.387	C	S	.	.	H	α-helix	trans	-60.4	-40.3	177.4	-65	-179.5	0	0	0	112.2	H225 L226 C227 R233 Y254	H225-L229 WeakPolarHBondContact O-CG 3.48Å; H225-L229 PolarHBondContact O-N 2.94Å; L226-L229 PolarHBondContact O-N 2.82Å; C227-L229 PolarHBondContact O-N 2.85Å; L229-R233 VanDerWaalsContact O-CG 3.27Å; L229-R233 WeakPolarHBondContact O-CG 3.39Å; L229-R233 PolarHBondContact O-N 3.29Å; L229-Y254 HydrophobicContact CD2-CD1 4.14Å; L229-Y254 HydrophobicContact CD2-CE1 3.59Å
230	V	93	Very high	88.9	Confident	77 Å²	77	71.9 Å²	71.9	47%	0.467	40%	0.402	S	S	.	.	H	α-helix	trans	-65.5	-45.5	177.1	173.4	0	0	0	0	110.8	L226 C227 R228 R233 L234	L226-V230 WeakPolarHBondContact O-CG2 3.31Å; L226-V230 PolarHBondContact O-N 3.35Å; L226-V230 VanDerWaalsContact O-N 3.08Å; C227-V230 PolarHBondContact O-N 2.78Å; R228-V230 VanDerWaalsContact C-N 3.31Å; R228-V230 PolarHBondContact O-N 2.85Å; V230-R233 PolarHBondContact O-N 3.33Å; V230-L234 HydrophobicContact CG1-CD1 4.19Å; V230-L234 WeakPolarHBondContact O-CG 3.33Å; V230-L234 PolarHBondContact O-N 3.27Å
231	I	93.3	Very high	89.6	Confident	48 Å²	48	69.9 Å²	69.9	25%	0.246	38%	0.378	C	S	.	.	H	α-helix	trans	-60.6	-48.2	178	-68.3	164.1	0	0	0	110.5	C227 R228 R233 L234 V235 L241 L251	C227-I231 VanDerWaalsContact O-CG1 3.28Å; C227-I231 WeakPolarHBondContact O-CG1 3.48Å; C227-I231 PolarHBondContact O-N 2.85Å; R228-I231 PolarHBondContact O-N 3.08Å; I231-R233 PolarHBondContact O-N 3.2Å; I231-R233 VanDerWaalsContact O-N 3.15Å; I231-L234 PolarHBondContact O-N 2.86Å; I231-V235 HydrophobicContact CG2-CB 4.48Å; I231-V235 HydrophobicContact CG2-CG2 4.35Å; I231-V235 PolarHBondContact O-N 3.01Å; I231-L241 HydrophobicContact CG2-CD1 3.77Å; I231-L251 HydrophobicContact CB-CD2 4.48Å; I231-L251 HydrophobicContact CD1-CD2 4.27Å; I231-L251 HydrophobicContact CG2-CD1 4.09Å; I231-L251 HydrophobicContact CG2-CD2 4.4Å
232	N	91.9	Very high	89.9	Confident	9 Å²	9	73.6 Å²	73.6	5%	0.048	41%	0.41	C	S	.	.	H	α-helix	trans	-63.3	-21.6	-179	-67.5	-5.5	0	0	0	113.7	R228 Y254 F256 Q257	R228-N232 WeakPolarHBondContact O-CB 3.28Å; R228-N232 PolarHBondContact O-N 3.03Å; R228-N232 PolarHBondContact O-OD1 3.27Å; N232-Y254 PolarHBondContact ND2-O 2.92Å; N232-F256 WeakPolarHBondContact CB-O 3.36Å; N232-F256 PolarHBondContact ND2-O 3.16Å; N232-Q257 HydrophobicContact CB-CG 4.39Å; N232-Q257 WeakPolarHBondContact O-CG 3.41Å; N232-Q257 PolarHBondContact O-NE2 3.2Å; N232-Q257 VanDerWaalsContact O-NE2 3.07Å
233	R	90.8	Very high	89.9	Confident	139 Å²	139	73.5 Å²	73.5	53%	0.525	40%	0.404	S	S	.	.	H	α-helix	trans	-78.8	-28.4	173.1	-72.7	168.5	-169	174.1	3.7	112.8	L229 V230 I231 Q257	L229-R233 VanDerWaalsContact O-CG 3.27Å; L229-R233 WeakPolarHBondContact O-CG 3.39Å; L229-R233 PolarHBondContact O-N 3.29Å; V230-R233 PolarHBondContact O-N 3.33Å; I231-R233 PolarHBondContact O-N 3.2Å; I231-R233 VanDerWaalsContact O-N 3.15Å; R233-Q257 HydrophobicContact CG-CB 3.79Å; R233-Q257 HydrophobicContact CG-CG 3.97Å; R233-Q257 PolarHBondContact NE-O 3.24Å; R233-Q257 PolarHBondContact NH2-O 3.04Å
234	L	89.3	Confident	90	Very high	142 Å²	142	70.9 Å²	70.9	74%	0.743	40%	0.395	S	S	*	.	H	α-helix	trans	-94.2	-27.1	-176.6	-63.5	175.5	0	0	0	112.4	V230 I231	V230-L234 HydrophobicContact CG1-CD1 4.19Å; V230-L234 WeakPolarHBondContact O-CG 3.33Å; V230-L234 PolarHBondContact O-N 3.27Å; I231-L234 PolarHBondContact O-N 2.86Å
235	V	88.3	Confident	89.9	Confident	40 Å²	40	75.9 Å²	75.9	24%	0.242	41%	0.409	C	S	.	.			trans	-128	124.8	-169.2	-174.6	0	0	0	0	109.2	I231 D237 L241	I231-V235 HydrophobicContact CG2-CB 4.48Å; I231-V235 HydrophobicContact CG2-CG2 4.35Å; I231-V235 PolarHBondContact O-N 3.01Å; V235-D237 WeakPolarHBondContact CG1-O 3.49Å; V235-L241 HydrophobicContact CB-CD1 4.5Å; V235-L241 HydrophobicContact CG1-CD1 4.14Å; V235-L241 HydrophobicContact CG1-CD2 4.23Å; V235-L241 HydrophobicContact CG1-CG 4.13Å; V235-L241 HydrophobicContact CG2-CD1 4.34Å; V235-L241 HydrophobicContact CG2-CD2 4.04Å
236	T	81.1	Confident	90	Very high	148 Å²	148	85.8 Å²	85.8	91%	0.908	45%	0.446	S	S	*	.	S	Bend	trans	-86.6	-32.1	174.5	44.9	0	0	0	0	112.6
237	D	85.1	Confident	90	Very high	72 Å²	72	87 Å²	87	39%	0.385	45%	0.451	S	S	.	.			trans	-115.3	108	177.6	-175.7	11.6	0	0	0	111.8	V235 D239 C240	V235-D237 WeakPolarHBondContact CG1-O 3.49Å; D237-D239 PolarHBondContact O-N 3.48Å; D237-D239 WeakPolarHBondContact OD1-CB 3.49Å; D237-D239 PolarHBondContact OD1-N 2.75Å; D237-C240 PolarHBondContact OD2-SG 3.45Å
238	V	86.2	Confident	89.9	Confident	21 Å²	21	84.6 Å²	84.6	13%	0.127	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-67.6	-26.3	179.6	176.2	0	0	0	0	111.6	C240 L241 A248 L251	V238-C240 PolarHBondContact O-N 3.35Å; V238-L241 WeakPolarHBondContact O-CB 3.38Å; V238-L241 PolarHBondContact O-N 3.32Å; V238-A248 HydrophobicContact CG1-CB 4.36Å; V238-L251 HydrophobicContact CG1-CB 3.71Å; V238-L251 HydrophobicContact CG1-CD1 3.7Å; V238-L251 HydrophobicContact CG1-CG 4.35Å; V238-L251 HydrophobicContact CG2-CB 4.15Å
239	D	83.5	Confident	89.9	Confident	103 Å²	103	88 Å²	88	55%	0.551	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-73	-20.7	-173	-63.6	-15.4	0	0	0	112.2	D237 L241 R252	D237-D239 PolarHBondContact O-N 3.48Å; D237-D239 WeakPolarHBondContact OD1-CB 3.49Å; D237-D239 PolarHBondContact OD1-N 2.75Å; D239-L241 VanDerWaalsContact C-N 3.29Å; D239-L241 PolarHBondContact O-N 3.07Å; D239-R252 IonicContact OD1-CZ 2.9Å; D239-R252 IonicContact OD1-NE 2.62Å; D239-R252 PolarHBondContact OD1-NE 2.97Å; D239-R252 IonicContact OD1-NH2 3.22Å; D239-R252 PolarHBondContact OD1-NH2 3.04Å
240	C	86	Confident	89.9	Confident	100 Å²	100	89.7 Å²	89.7	68%	0.676	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-78.9	-9.5	175.8	-72.6	0	0	0	0	113.4	D237 V238	D237-C240 PolarHBondContact OD2-SG 3.45Å; V238-C240 PolarHBondContact O-N 3.35Å
241	L	88.7	Confident	89.9	Confident	51 Å²	51	86.3 Å²	86.3	27%	0.267	44%	0.439	S	S	.	.	S	Bend	trans	-81.8	137.5	-178.2	-64.1	174.1	0	0	0	111.3	I231 V235 V238 D239 L243 L251	I231-L241 HydrophobicContact CG2-CD1 3.77Å; V235-L241 HydrophobicContact CB-CD1 4.5Å; V235-L241 HydrophobicContact CG1-CD1 4.14Å; V235-L241 HydrophobicContact CG1-CD2 4.23Å; V235-L241 HydrophobicContact CG1-CG 4.13Å; V235-L241 HydrophobicContact CG2-CD1 4.34Å; V235-L241 HydrophobicContact CG2-CD2 4.04Å; V238-L241 WeakPolarHBondContact O-CB 3.38Å; V238-L241 PolarHBondContact O-N 3.32Å; D239-L241 VanDerWaalsContact C-N 3.29Å; D239-L241 PolarHBondContact O-N 3.07Å; L241-L243 HydrophobicContact CB-CD1 3.82Å; L241-L243 HydrophobicContact CB-CG 3.84Å; L241-L243 HydrophobicContact CD1-CD1 3.85Å; L241-L243 HydrophobicContact CG-CD1 4.5Å; L241-L243 PolarHBondContact O-N 3.04Å; L241-L251 HydrophobicContact CD1-CD1 4.23Å
242	P	90.6	Very high	89.8	Confident	134 Å²	134	89.5 Å²	89.5	87%	0.87	45%	0.448	S	S	*	.			trans	-76.4	60	177.3	33.4	-36.5	0	0	0	111
243	L	91.2	Very high	89.8	Confident	59 Å²	59	94 Å²	94	31%	0.309	47%	0.469	S	S	.	.			trans	-109.9	148	-175.8	-66.1	176.4	0	0	0	111.9	L241 M247 L251	L241-L243 HydrophobicContact CB-CD1 3.82Å; L241-L243 HydrophobicContact CB-CG 3.84Å; L241-L243 HydrophobicContact CD1-CD1 3.85Å; L241-L243 HydrophobicContact CG-CD1 4.5Å; L241-L243 PolarHBondContact O-N 3.04Å; L243-M247 HydrophobicContact CB-CB 4.28Å; L243-M247 HydrophobicContact CD2-CE 4.04Å; L243-M247 HydrophobicContact CD2-SD 4.46Å; L243-L251 HydrophobicContact CD1-CD1 3.58Å
244	P	94.9	Very high	89.9	Confident	82 Å²	82	87.4 Å²	87.4	53%	0.532	44%	0.444	S	S	.	.			trans	-57.4	146.3	168.3	-22.5	32.9	0	0	0	111.9	R246 M247 A248	P244-R246 VanDerWaalsContact C-N 3.28Å; P244-R246 PolarHBondContact O-N 3.5Å; P244-R246 VanDerWaalsContact O-N 3.13Å; P244-M247 HydrophobicContact CG-SD 4.17Å; P244-M247 WeakPolarHBondContact O-CA 3.29Å; P244-M247 WeakPolarHBondContact O-CB 3.39Å; P244-M247 PolarHBondContact O-N 3.33Å; P244-A248 PolarHBondContact O-N 3.4Å; P244-A248 VanDerWaalsContact O-N 3.13Å
245	R	91.7	Very high	90	Very high	219 Å²	219	84.1 Å²	84.1	83%	0.826	43%	0.431	S	S	*	.	H	α-helix	trans	-48.2	-46.6	-177.2	-66.5	-173.6	179.7	-155.1	-0.7	113.5	M247 A248 D249	R245-M247 VanDerWaalsContact C-N 3.26Å; R245-M247 PolarHBondContact O-N 3.42Å; R245-A248 WeakPolarHBondContact O-CB 3.38Å; R245-A248 PolarHBondContact O-N 3.25Å; R245-A248 VanDerWaalsContact O-N 3.11Å; R245-D249 PolarHBondContact O-N 3.28Å
246	R	93.6	Very high	90.1	Very high	219 Å²	219	82.6 Å²	82.6	83%	0.826	42%	0.422	S	S	*	.	H	α-helix	trans	-59.2	-34.4	179.2	-67.1	-171.3	177.2	-176.5	-0.8	113.6	P244 Y250	P244-R246 VanDerWaalsContact C-N 3.28Å; P244-R246 PolarHBondContact O-N 3.5Å; P244-R246 VanDerWaalsContact O-N 3.13Å; R246-Y250 WeakPolarHBondContact O-CB 3.44Å; R246-Y250 PolarHBondContact O-N 3.17Å; R246-Y250 VanDerWaalsContact O-N 3.12Å
247	M	91.6	Very high	90.6	Very high	97 Å²	97	79.1 Å²	79.1	48%	0.478	40%	0.395	S	S	.	.	H	α-helix	trans	-75.1	-41.5	176.8	-69	-179.1	68.6	0	0	110.9	L243 P244 R245 D249 Y250 L251	L243-M247 HydrophobicContact CB-CB 4.28Å; L243-M247 HydrophobicContact CD2-CE 4.04Å; L243-M247 HydrophobicContact CD2-SD 4.46Å; P244-M247 HydrophobicContact CG-SD 4.17Å; P244-M247 WeakPolarHBondContact O-CA 3.29Å; P244-M247 WeakPolarHBondContact O-CB 3.39Å; P244-M247 PolarHBondContact O-N 3.33Å; R245-M247 VanDerWaalsContact C-N 3.26Å; R245-M247 PolarHBondContact O-N 3.42Å; M247-D249 VanDerWaalsContact C-N 3.32Å; M247-D249 PolarHBondContact O-N 2.89Å; M247-Y250 WeakPolarHBondContact O-CB 3.41Å; M247-Y250 PolarHBondContact O-N 2.96Å; M247-L251 WeakPolarHBondContact O-CG 3.44Å; M247-L251 PolarHBondContact O-N 2.96Å
248	A	91.6	Very high	90.5	Very high	10 Å²	10	76.7 Å²	76.7	8%	0.083	38%	0.382	C	S	.	.	H	α-helix	trans	-59.2	-44.6	173.2	0	0	0	0	0	111.2	V238 P244 R245 Y250 L251 R252	V238-A248 HydrophobicContact CG1-CB 4.36Å; P244-A248 PolarHBondContact O-N 3.4Å; P244-A248 VanDerWaalsContact O-N 3.13Å; R245-A248 WeakPolarHBondContact O-CB 3.38Å; R245-A248 PolarHBondContact O-N 3.25Å; R245-A248 VanDerWaalsContact O-N 3.11Å; A248-Y250 VanDerWaalsContact C-N 3.33Å; A248-Y250 PolarHBondContact O-N 3.2Å; A248-L251 PolarHBondContact O-N 3.41Å; A248-L251 VanDerWaalsContact O-N 3.15Å; A248-R252 WeakPolarHBondContact O-CG 3.16Å; A248-R252 PolarHBondContact O-N 3.24Å
249	D	93	Very high	90.7	Very high	73 Å²	73	79.5 Å²	79.5	39%	0.39	40%	0.395	S	S	.	.	H	α-helix	trans	-60.6	-41.6	176.5	-60.9	-26	0	0	0	111.7	R245 M247 L251 R252 Q253	R245-D249 PolarHBondContact O-N 3.28Å; M247-D249 VanDerWaalsContact C-N 3.32Å; M247-D249 PolarHBondContact O-N 2.89Å; D249-L251 VanDerWaalsContact C-N 3.33Å; D249-L251 PolarHBondContact O-N 3Å; D249-R252 PolarHBondContact O-N 3.03Å; D249-R252 IonicContact OD1-NH1 3.6Å; D249-R252 PolarHBondContact OD1-NH1 3.46Å; D249-Q253 VanDerWaalsContact O-CG 3.31Å; D249-Q253 WeakPolarHBondContact O-CG 3.3Å; D249-Q253 PolarHBondContact O-N 2.96Å
250	Y	93.4	Very high	91.1	Very high	40 Å²	40	78.3 Å²	78.3	16%	0.157	39%	0.386	C	S	.	.	H	α-helix	trans	-63.9	-35.2	175.7	174.9	-101	0	0	0	113.5	Q224 H225 R228 R246 M247 A248	Q224-Y250 HydrophobicContact CG-CD1 4.24Å; Q224-Y250 HydrophobicContact CG-CE1 3.55Å; Q224-Y250 HydrophobicContact CG-CE2 4.46Å; H225-Y250 VanDerWaalsContact CA-OH 3.22Å; H225-Y250 WeakPolarHBondContact CA-OH 3.39Å; H225-Y250 PolarHBondContact N-OH 3.2Å; R228-Y250 HydrophobicContact CB-CE1 3.84Å; R228-Y250 WeakPolarHBondContact CD-O 3.34Å; R228-Y250 HydrophobicContact CG-CE1 4.36Å; R228-Y250 PolarHBondContact NH1-O 2.83Å; R228-Y250 VanDerWaalsContact NH1-O 3.12Å; R246-Y250 WeakPolarHBondContact O-CB 3.44Å; R246-Y250 PolarHBondContact O-N 3.17Å; R246-Y250 VanDerWaalsContact O-N 3.12Å; M247-Y250 WeakPolarHBondContact O-CB 3.41Å; M247-Y250 PolarHBondContact O-N 2.96Å; A248-Y250 VanDerWaalsContact C-N 3.33Å; A248-Y250 PolarHBondContact O-N 3.2Å
251	L	92.1	Very high	91.4	Very high	6 Å²	6	77.1 Å²	77.1	3%	0.031	37%	0.37	C	S	.	.	H	α-helix	trans	-69.7	-42.7	173.6	-66.6	176.4	0	0	0	110.8	R228 I231 V238 L241 L243 M247 A248 D249 Q253 Y254	R228-L251 HydrophobicContact CB-CD2 3.74Å; R228-L251 HydrophobicContact CG-CD2 3.58Å; I231-L251 HydrophobicContact CB-CD2 4.48Å; I231-L251 HydrophobicContact CD1-CD2 4.27Å; I231-L251 HydrophobicContact CG2-CD1 4.09Å; I231-L251 HydrophobicContact CG2-CD2 4.4Å; V238-L251 HydrophobicContact CG1-CB 3.71Å; V238-L251 HydrophobicContact CG1-CD1 3.7Å; V238-L251 HydrophobicContact CG1-CG 4.35Å; V238-L251 HydrophobicContact CG2-CB 4.15Å; L241-L251 HydrophobicContact CD1-CD1 4.23Å; L243-L251 HydrophobicContact CD1-CD1 3.58Å; M247-L251 WeakPolarHBondContact O-CG 3.44Å; M247-L251 PolarHBondContact O-N 2.96Å; A248-L251 PolarHBondContact O-N 3.41Å; A248-L251 VanDerWaalsContact O-N 3.15Å; D249-L251 VanDerWaalsContact C-N 3.33Å; D249-L251 PolarHBondContact O-N 3Å; L251-Q253 VanDerWaalsContact C-N 3.27Å; L251-Q253 PolarHBondContact O-N 3.13Å; L251-Y254 CarbonylContact O-C 3.58Å; L251-Y254 VanDerWaalsContact O-C 3.27Å; L251-Y254 PolarHBondContact O-N 2.68Å; L251-Y254 VanDerWaalsContact O-N 3.14Å; L251-Y254 VanDerWaalsContact O-O 3.12Å
252	R	91.1	Very high	91.5	Very high	115 Å²	115	78.6 Å²	78.6	43%	0.434	38%	0.376	S	S	.	.	H	α-helix	trans	-65.1	-26.9	177.2	-67.5	-171.6	-159.1	104.1	-5.8	113.7	D239 A248 D249 Y254	D239-R252 IonicContact OD1-CZ 2.9Å; D239-R252 IonicContact OD1-NE 2.62Å; D239-R252 PolarHBondContact OD1-NE 2.97Å; D239-R252 IonicContact OD1-NH2 3.22Å; D239-R252 PolarHBondContact OD1-NH2 3.04Å; A248-R252 WeakPolarHBondContact O-CG 3.16Å; A248-R252 PolarHBondContact O-N 3.24Å; D249-R252 PolarHBondContact O-N 3.03Å; D249-R252 IonicContact OD1-NH1 3.6Å; D249-R252 PolarHBondContact OD1-NH1 3.46Å; R252-Y254 PolarHBondContact O-N 3.26Å
253	Q	92.1	Very high	91.6	Very high	104 Å²	104	75.1 Å²	75.1	49%	0.486	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-23.5	174.5	-76.8	166.1	25.9	0	0	112.9	Y76 D249 L251	Y76-Q253 WeakPolarHBondContact CE1-O 3.47Å; D249-Q253 VanDerWaalsContact O-CG 3.31Å; D249-Q253 WeakPolarHBondContact O-CG 3.3Å; D249-Q253 PolarHBondContact O-N 2.96Å; L251-Q253 VanDerWaalsContact C-N 3.27Å; L251-Q253 PolarHBondContact O-N 3.13Å
254	Y	92.4	Very high	91.6	Very high	0 Å²	0	76.2 Å²	76.2	0%	0	35%	0.348	C	S	.	.			trans	-147	89	176.5	-171	-88.1	0	0	0	109.2	Y76 E79 S80 R228 L229 N232 L251 R252 F256 L258	Y76-Y254 HydrophobicContact CD1-CD2 4.22Å; Y76-Y254 WeakPolarHBondContact O-CE2 3.4Å; E79-Y254 HydrophobicContact CB-CD2 3.94Å; E79-Y254 HydrophobicContact CB-CE2 4.05Å; S80-Y254 WeakPolarHBondContact CA-OH 3.48Å; S80-Y254 WeakPolarHBondContact CB-OH 3.49Å; R228-Y254 VanDerWaalsContact NH2-CG 3.34Å; L229-Y254 HydrophobicContact CD2-CD1 4.14Å; L229-Y254 HydrophobicContact CD2-CE1 3.59Å; N232-Y254 PolarHBondContact ND2-O 2.92Å; L251-Y254 CarbonylContact O-C 3.58Å; L251-Y254 VanDerWaalsContact O-C 3.27Å; L251-Y254 PolarHBondContact O-N 2.68Å; L251-Y254 VanDerWaalsContact O-N 3.14Å; L251-Y254 VanDerWaalsContact O-O 3.12Å; R252-Y254 PolarHBondContact O-N 3.26Å; Y254-F256 HydrophobicContact CD1-CB 4.05Å; Y254-F256 AromaticContact CD1-CD2 3.83Å; Y254-F256 HydrophobicContact CD1-CD2 3.83Å; Y254-F256 HydrophobicContact CD1-CG 4.44Å; Y254-F256 AromaticContact CD2-CD2 3.65Å; Y254-F256 HydrophobicContact CD2-CD2 3.65Å; Y254-F256 HydrophobicContact CD2-CE2 4.09Å; Y254-F256 HydrophobicContact CE1-CB 3.57Å; Y254-F256 AromaticContact CE1-CD2 3.78Å; Y254-F256 HydrophobicContact CE1-CD2 3.78Å; Y254-F256 HydrophobicContact CE1-CG 4.18Å; Y254-F256 AromaticContact CE2-CD2 3.58Å; Y254-F256 HydrophobicContact CE2-CD2 3.58Å; Y254-F256 HydrophobicContact CE2-CE2 4.19Å; Y254-F256 AromaticContact CG-CD2 3.75Å; Y254-F256 HydrophobicContact CG-CD2 3.75Å; Y254-F256 HydrophobicContact CG-CE2 4.43Å; Y254-F256 AromaticContact CZ-CD2 3.64Å; Y254-F256 PolarHBondContact O-N 3.03Å; Y254-F256 VanDerWaalsContact O-N 3.14Å; Y254-L258 PolarHBondContact OH-O 3.11Å
255	P	91.3	Very high	91.4	Very high	74 Å²	74	75.8 Å²	75.8	48%	0.481	34%	0.335	S	S	.	.			trans	-83.4	24.3	-175.1	35.3	-37.4	0	0	0	113.3
256	F	91.9	Very high	91.4	Very high	8 Å²	8	64.8 Å²	64.8	4%	0.035	30%	0.297	C	S	.	.			trans	-105.8	160.6	-174.7	-42.4	-77.5	0	0	0	112.4	Y76 D155 V157 S158 N232 Y254	Y76-F256 AromaticContact CD1-CE2 3.96Å; Y76-F256 HydrophobicContact CD1-CE2 3.96Å; Y76-F256 AromaticContact CD2-CE2 3.43Å; Y76-F256 HydrophobicContact CD2-CE2 3.43Å; Y76-F256 VanDerWaalsContact CD2-CE2 3.43Å; Y76-F256 AromaticContact CD2-CZ 3.46Å; Y76-F256 HydrophobicContact CD2-CZ 3.46Å; Y76-F256 VanDerWaalsContact CD2-CZ 3.46Å; Y76-F256 HydrophobicContact CE1-CE2 4.24Å; Y76-F256 AromaticContact CE2-CE2 3.71Å; Y76-F256 HydrophobicContact CE2-CE2 3.71Å; Y76-F256 AromaticContact CE2-CZ 3.56Å; Y76-F256 HydrophobicContact CE2-CZ 3.56Å; Y76-F256 AromaticContact CG-CE2 3.53Å; Y76-F256 HydrophobicContact CG-CE2 3.53Å; Y76-F256 HydrophobicContact CG-CZ 4.07Å; D155-F256 WeakPolarHBondContact OD1-CE1 3.48Å; D155-F256 WeakPolarHBondContact OD1-CZ 3.49Å; V157-F256 HydrophobicContact CB-CD1 4.05Å; V157-F256 HydrophobicContact CB-CD2 4.16Å; V157-F256 HydrophobicContact CB-CE1 4.05Å; V157-F256 HydrophobicContact CB-CE2 4.17Å; V157-F256 HydrophobicContact CB-CG 4.09Å; V157-F256 HydrophobicContact CB-CZ 4.11Å; V157-F256 HydrophobicContact CG1-CB 3.65Å; V157-F256 HydrophobicContact CG1-CD1 3.62Å; V157-F256 HydrophobicContact CG1-CD2 3.68Å; V157-F256 HydrophobicContact CG1-CE1 4.15Å; V157-F256 HydrophobicContact CG1-CE2 4.21Å; V157-F256 HydrophobicContact CG1-CG 3.35Å; V157-F256 HydrophobicContact CG1-CZ 4.41Å; S158-F256 WeakPolarHBondContact OG-CE1 2.98Å; N232-F256 WeakPolarHBondContact CB-O 3.36Å; N232-F256 PolarHBondContact ND2-O 3.16Å; Y254-F256 HydrophobicContact CD1-CB 4.05Å; Y254-F256 AromaticContact CD1-CD2 3.83Å; Y254-F256 HydrophobicContact CD1-CD2 3.83Å; Y254-F256 HydrophobicContact CD1-CG 4.44Å; Y254-F256 AromaticContact CD2-CD2 3.65Å; Y254-F256 HydrophobicContact CD2-CD2 3.65Å; Y254-F256 HydrophobicContact CD2-CE2 4.09Å; Y254-F256 HydrophobicContact CE1-CB 3.57Å; Y254-F256 AromaticContact CE1-CD2 3.78Å; Y254-F256 HydrophobicContact CE1-CD2 3.78Å; Y254-F256 HydrophobicContact CE1-CG 4.18Å; Y254-F256 AromaticContact CE2-CD2 3.58Å; Y254-F256 HydrophobicContact CE2-CD2 3.58Å; Y254-F256 HydrophobicContact CE2-CE2 4.19Å; Y254-F256 AromaticContact CG-CD2 3.75Å; Y254-F256 HydrophobicContact CG-CD2 3.75Å; Y254-F256 HydrophobicContact CG-CE2 4.43Å; Y254-F256 AromaticContact CZ-CD2 3.64Å; Y254-F256 PolarHBondContact O-N 3.03Å; Y254-F256 VanDerWaalsContact O-N 3.14Å
257	Q	90.3	Very high	91.2	Very high	75 Å²	75	51.9 Å²	51.9	35%	0.35	25%	0.253	S	S	.	.			trans	-98.6	-7.5	-175.8	-64.5	178.6	-9.8	0	0	113.4	N232 R233	N232-Q257 HydrophobicContact CB-CG 4.39Å; N232-Q257 WeakPolarHBondContact O-CG 3.41Å; N232-Q257 PolarHBondContact O-NE2 3.2Å; N232-Q257 VanDerWaalsContact O-NE2 3.07Å; R233-Q257 HydrophobicContact CG-CB 3.79Å; R233-Q257 HydrophobicContact CG-CG 3.97Å; R233-Q257 PolarHBondContact NE-O 3.24Å; R233-Q257 PolarHBondContact NH2-O 3.04Å
258	L	83.7	Confident	91.2	Very high	21 Å²	21	47.8 Å²	47.8	11%	0.11	23%	0.232	C	C	.	.			trans	-114.7	0	-164.4	-119.8	146.2	0	0	0	113.2	W82 F104 Q161 V164 P213 R221 Y254	W82-L258 PolarHBondContact NE1-OXT 3.42Å; F104-L258 HydrophobicContact CZ-CD2 3.78Å; Q161-L258 HydrophobicContact CB-CD1 4.1Å; Q161-L258 HydrophobicContact CG-CD1 4.23Å; V164-L258 HydrophobicContact CB-CD1 4.1Å; V164-L258 HydrophobicContact CG1-CD1 4.2Å; V164-L258 HydrophobicContact CG2-CD1 4.02Å; P213-L258 HydrophobicContact CB-CD2 3.97Å; P213-L258 HydrophobicContact CG-CD2 3.71Å; R221-L258 PolarHBondContact NH2-OXT 3.01Å; Y254-L258 PolarHBondContact OH-O 3.11Å

Retrieved 258 of 258 residues in 43.3 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).