A0A5K4F2M1_SCHMA Loading...

N-acetyltransferase domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F2M1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 260 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	46.2	Very low	46.3	Very low	231 Å²	231	135.7 Å²	135.7	100%	1.138	69%	0.687	S	S	*	*				0	16.1	0	-87	-176.2	-83.1	0	0	114.3
2	M	45.8	Very low	46	Very low	155 Å²	155	132.6 Å²	132.6	76%	0.764	67%	0.671	S	S	*	*			trans	-103.4	-14.1	-175.3	-147.5	169	76.5	0	0	114.2
3	Y	47.8	Very low	45.4	Very low	203 Å²	203	132.8 Å²	132.8	80%	0.796	68%	0.675	S	S	*	*	S	Bend	trans	-87.1	-14.2	-179.5	-74.5	-75.9	0	0	0	114.4
4	A	47.5	Very low	44.8	Very low	68 Å²	68	139.1 Å²	139.1	56%	0.562	69%	0.686	S	S	*	*	H	α-helix	trans	-78.5	-23.7	179.4	0	0	0	0	0	113.4
5	Y	47	Very low	44.3	Very low	181 Å²	181	136.4 Å²	136.4	71%	0.71	68%	0.68	S	S	*	*	H	α-helix	trans	-78.4	-26.4	-177.9	-89.9	-83.3	0	0	0	113.8	F7	Y5-F7 VanDerWaalsContact C-N 3.34Å; Y5-F7 PolarHBondContact O-N 3.2Å
6	I	49.4	Very low	44.1	Very low	126 Å²	126	136.6 Å²	136.6	65%	0.646	68%	0.683	S	S	*	*	H	α-helix	trans	-73	-29	-178.5	-62.7	177.1	0	0	0	111.4
7	F	44.2	Very low	43.5	Very low	156 Å²	156	138 Å²	138	68%	0.684	69%	0.689	S	S	*	*	H	α-helix	trans	-80.2	-25.6	-179.6	-101.5	-87.1	0	0	0	114.5	Y5	Y5-F7 VanDerWaalsContact C-N 3.34Å; Y5-F7 PolarHBondContact O-N 3.2Å
8	I	45.7	Very low	43	Very low	100 Å²	100	135.4 Å²	135.4	51%	0.513	69%	0.686	S	S	.	*	H	α-helix	trans	-75.2	-33.8	-179.3	-64.2	175.5	0	0	0	111.3	A10 I11 I12	I8-A10 VanDerWaalsContact C-N 3.3Å; I8-A10 PolarHBondContact O-N 3.04Å; I8-I11 PolarHBondContact O-N 3.21Å; I8-I12 HydrophobicContact CG2-CD1 3.98Å; I8-I12 PolarHBondContact O-N 3.14Å
9	C	43.6	Very low	42.5	Very low	91 Å²	91	133.9 Å²	133.9	62%	0.615	69%	0.69	S	S	*	*	H	α-helix	trans	-66.3	-28.9	176.8	-73.2	0	0	0	0	113.4	L13	C9-L13 PolarHBondContact O-N 3.09Å
10	A	45.9	Very low	42.2	Very low	62 Å²	62	132.4 Å²	132.4	51%	0.512	69%	0.688	S	S	.	*	H	α-helix	trans	-75.2	-27.1	-179.6	0	0	0	0	0	113.5	I8	I8-A10 VanDerWaalsContact C-N 3.3Å; I8-A10 PolarHBondContact O-N 3.04Å
11	I	46.1	Very low	41.7	Very low	120 Å²	120	135.5 Å²	135.5	62%	0.615	70%	0.697	S	S	*	*	H	α-helix	trans	-85.6	-33.8	-178.1	-59.1	178.2	0	0	0	111.2	I8 L13 R14 T15	I8-I11 PolarHBondContact O-N 3.21Å; I11-L13 VanDerWaalsContact C-N 3.31Å; I11-L13 PolarHBondContact O-N 3.19Å; I11-R14 PolarHBondContact O-N 3.06Å; I11-T15 PolarHBondContact O-OG1 3.45Å
12	I	42.6	Very low	41.2	Very low	98 Å²	98	133.7 Å²	133.7	50%	0.503	68%	0.683	S	S	.	*	H	α-helix	trans	-71	-28.8	177.3	-58.9	176.7	0	0	0	111.2	I8 R14 T15	I8-I12 HydrophobicContact CG2-CD1 3.98Å; I8-I12 PolarHBondContact O-N 3.14Å; I12-R14 VanDerWaalsContact C-N 3.34Å; I12-R14 PolarHBondContact O-N 2.89Å; I12-T15 PolarHBondContact O-OG1 3.36Å
13	L	38	Very low	40.5	Very low	136 Å²	136	132 Å²	132	71%	0.712	68%	0.681	S	S	*	*	H	α-helix	trans	-72	-23.6	176.9	-119.5	80.8	0	0	0	114.1	C9 I11	C9-L13 PolarHBondContact O-N 3.09Å; I11-L13 VanDerWaalsContact C-N 3.31Å; I11-L13 PolarHBondContact O-N 3.19Å
14	R	37.8	Very low	39.8	Very low	220 Å²	220	127.6 Å²	127.6	83%	0.83	68%	0.677	S	S	*	*	H	α-helix	trans	-81.7	-19	178	-85.5	-168.9	177.5	-163.3	0.4	114.2	I11 I12	I11-R14 PolarHBondContact O-N 3.06Å; I12-R14 VanDerWaalsContact C-N 3.34Å; I12-R14 PolarHBondContact O-N 2.89Å
15	T	37	Very low	39	Very low	99 Å²	99	130.1 Å²	130.1	61%	0.607	69%	0.685	S	S	*	*	H	α-helix	trans	-87.4	-15.9	-178.7	17.9	0	0	0	0	113.9	I11 I12 S18	I11-T15 PolarHBondContact O-OG1 3.45Å; I12-T15 PolarHBondContact O-OG1 3.36Å; T15-S18 PolarHBondContact O-OG 3.4Å
16	I	41.6	Very low	38.1	Very low	139 Å²	139	128 Å²	128	71%	0.713	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	-4.3	180	-57.4	176.5	0	0	0	112.9	S18	I16-S18 VanDerWaalsContact C-N 3.29Å; I16-S18 PolarHBondContact O-N 3.12Å
17	M	33.3	Very low	37.1	Very low	161 Å²	161	126.9 Å²	126.9	79%	0.793	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	15.2	173.3	-66.5	-159.6	75.9	0	0	114.5	S19	M17-S19 VanDerWaalsContact C-N 3.27Å; M17-S19 PolarHBondContact O-N 2.89Å
18	S	34.7	Very low	36.2	Very low	92 Å²	92	124.8 Å²	124.8	64%	0.643	70%	0.695	S	S	*	*			trans	-77.3	79.8	170.5	-44.3	0	0	0	0	109.2	T15 I16 P20	T15-S18 PolarHBondContact O-OG 3.4Å; I16-S18 VanDerWaalsContact C-N 3.29Å; I16-S18 PolarHBondContact O-N 3.12Å; S18-P20 WeakPolarHBondContact O-CD 3.48Å; S18-P20 VanDerWaalsContact O-N 3.14Å
19	S	33.6	Very low	35.4	Very low	107 Å²	107	130.6 Å²	130.6	75%	0.748	71%	0.712	S	S	*	*			trans	-48.5	117	175.8	-66.5	0	0	0	0	110.9	M17 K21	M17-S19 VanDerWaalsContact C-N 3.27Å; M17-S19 PolarHBondContact O-N 2.89Å; S19-K21 PolarHBondContact O-N 3.47Å
20	P	36.3	Very low	34.8	Very low	102 Å²	102	131.1 Å²	131.1	66%	0.662	72%	0.716	S	S	*	*			trans	-65.7	120.9	171	24.9	-29.7	0	0	0	108.1	S18 F22	S18-P20 WeakPolarHBondContact O-CD 3.48Å; S18-P20 VanDerWaalsContact O-N 3.14Å; P20-F22 PolarHBondContact O-N 2.95Å
21	K	32.1	Very low	34.1	Very low	199 Å²	199	136 Å²	136	87%	0.865	73%	0.734	S	S	*	*			trans	-58.4	99.3	170.7	-68.5	178	178.7	177.5	0	107.8	S19 V23	S19-K21 PolarHBondContact O-N 3.47Å; K21-V23 PolarHBondContact O-N 3.44Å; K21-V23 VanDerWaalsContact O-N 3.09Å
22	F	35.7	Very low	33.2	Very low	192 Å²	192	133.5 Å²	133.5	84%	0.842	74%	0.738	S	S	*	*			trans	-64.5	107	172.3	-100.3	-95.3	0	0	0	108.4	P20 P24	P20-F22 PolarHBondContact O-N 2.95Å; F22-P24 WeakPolarHBondContact O-CD 3.32Å
23	V	30.9	Very low	32.6	Very low	120 Å²	120	137 Å²	137	73%	0.727	76%	0.757	S	S	*	*			trans	-81.6	116.8	166.8	178.9	0	0	0	0	106.7	K21 V25	K21-V23 PolarHBondContact O-N 3.44Å; K21-V23 VanDerWaalsContact O-N 3.09Å; V23-V25 PolarHBondContact O-N 3.45Å; V23-V25 VanDerWaalsContact O-N 3.14Å
24	P	33.3	Very low	32.3	Very low	111 Å²	111	140.2 Å²	140.2	72%	0.721	77%	0.765	S	S	*	*			trans	-71.9	110.7	-177.6	27	-30.4	0	0	0	109.6	F22 V26	F22-P24 WeakPolarHBondContact O-CD 3.32Å; P24-V26 PolarHBondContact O-N 3.28Å
25	V	31.3	Very low	32.5	Very low	120 Å²	120	133.3 Å²	133.3	73%	0.727	75%	0.75	S	S	*	*			trans	-72.3	106.6	167.7	175.1	0	0	0	0	107.6	V23 T27	V23-V25 PolarHBondContact O-N 3.45Å; V23-V25 VanDerWaalsContact O-N 3.14Å; V25-T27 VanDerWaalsContact C-N 3.33Å; V25-T27 HydrophobicContact CG1-CG2 4.11Å; V25-T27 PolarHBondContact O-N 3.46Å
26	V	27.3	Very low	32.5	Very low	137 Å²	137	136.5 Å²	136.5	83%	0.83	76%	0.758	S	S	*	*			trans	-73.4	87	171.2	-179.5	0	0	0	0	108.1	P24	P24-V26 PolarHBondContact O-N 3.28Å
27	T	28.6	Very low	32.3	Very low	103 Å²	103	136.5 Å²	136.5	63%	0.632	76%	0.76	S	S	*	*			trans	-87.9	104.2	165.1	28.8	0	0	0	0	109.3	V25 Y29	V25-T27 VanDerWaalsContact C-N 3.33Å; V25-T27 HydrophobicContact CG1-CG2 4.11Å; V25-T27 PolarHBondContact O-N 3.46Å; T27-Y29 PolarHBondContact O-N 3.48Å
28	S	26	Very low	32.6	Very low	111 Å²	111	133 Å²	133	78%	0.776	75%	0.747	S	S	*	*			trans	-68.1	105.3	168.8	62.7	0	0	0	0	109.7
29	Y	28.3	Very low	32.4	Very low	222 Å²	222	137.3 Å²	137.3	87%	0.871	75%	0.75	S	S	*	*			trans	-94.4	98.9	163.2	-93.4	-87.3	0	0	0	108.9	T27	T27-Y29 PolarHBondContact O-N 3.48Å
30	S	29.7	Very low	32.4	Very low	102 Å²	102	138 Å²	138	71%	0.713	74%	0.744	S	S	*	*			trans	-87.5	127.5	161.3	-167.7	0	0	0	0	108
31	N	32.6	Very low	32.4	Very low	165 Å²	165	138.7 Å²	138.7	88%	0.882	74%	0.742	S	S	*	*			trans	158.8	111.4	160.4	-82.5	-16.3	0	0	0	105
32	G	25.8	Very low	32.6	Very low	67 Å²	67	134 Å²	134	69%	0.691	73%	0.726	S	S	*	*			cis	113.2	107.8	47.1	0	0	0	0	0	107.4
33	L	30.5	Very low	32.5	Very low	172 Å²	172	127.6 Å²	127.6	90%	0.901	71%	0.705	S	S	*	*			trans	65	97.5	167	-77.9	86.4	0	0	0	119.7
34	K	32.8	Very low	33	Very low	204 Å²	204	127.8 Å²	127.8	89%	0.887	70%	0.702	S	S	*	*				-172.9	85.5	122.2	-101.3	173.8	-176.6	-178.3	0	108.3
35	S	40.9	Very low	33.7	Very low	74 Å²	74	125 Å²	125	52%	0.517	68%	0.679	S	S	.	*			trans	-121.9	89.6	-176.3	166	0	0	0	0	109.5
36	E	38	Very low	34.5	Very low	167 Å²	167	123.5 Å²	123.5	78%	0.78	67%	0.674	S	S	*	*	S	Bend	trans	-152.9	-47.8	150.3	-122.8	168.5	175.3	0	0	111.7	T38 R39	E36-T38 PolarHBondContact O-N 3.27Å; E36-R39 PolarHBondContact O-N 3.43Å
37	D	35.7	Very low	36	Very low	139 Å²	139	124.3 Å²	124.3	74%	0.743	67%	0.674	S	S	*	*	H	α-helix	trans	-69.6	-31.9	179.6	-92	-32.5	0	0	0	114.4	R39	D37-R39 VanDerWaalsContact C-N 3.31Å; D37-R39 PolarHBondContact O-N 3.42Å
38	T	39.6	Very low	38	Very low	87 Å²	87	123.3 Å²	123.3	53%	0.534	66%	0.661	S	S	.	*	H	α-helix	trans	-73.1	-26.4	-179.3	-34.5	0	0	0	0	111.9	E36 L42	E36-T38 PolarHBondContact O-N 3.27Å; T38-L42 HydrophobicContact CG2-CD1 3.72Å; T38-L42 VanDerWaalsContact O-CD1 3.22Å; T38-L42 WeakPolarHBondContact O-CD1 3.22Å; T38-L42 PolarHBondContact O-N 3.39Å; T38-L42 VanDerWaalsContact O-N 3.12Å
39	R	31.3	Very low	40.9	Very low	183 Å²	183	120.1 Å²	120.1	69%	0.691	65%	0.646	S	S	*	*	H	α-helix	trans	-72.1	-34.8	-177.9	-91.8	-175.9	164.1	173.5	-3.8	112.8	E36 D37 L42 S43	E36-R39 PolarHBondContact O-N 3.43Å; D37-R39 VanDerWaalsContact C-N 3.31Å; D37-R39 PolarHBondContact O-N 3.42Å; R39-L42 PolarHBondContact O-N 2.89Å; R39-S43 WeakPolarHBondContact O-CB 3.2Å; R39-S43 PolarHBondContact O-N 3.34Å
40	L	33.5	Very low	43.9	Very low	120 Å²	120	110.1 Å²	110.1	63%	0.628	61%	0.607	S	S	*	*	H	α-helix	trans	-70.6	-30.7	179.3	-76.2	165	0	0	0	113	S43	L40-S43 PolarHBondContact O-OG 3.35Å
41	N	36	Very low	46.9	Very low	117 Å²	117	106.8 Å²	106.8	63%	0.626	58%	0.582	S	S	*	*	H	α-helix	trans	-82.2	-30.4	173.9	-79.9	-33.9	0	0	0	112.9
42	L	37.6	Very low	49.9	Very low	101 Å²	101	100 Å²	100	53%	0.529	55%	0.545	S	S	.	.	H	α-helix	trans	-73	-33.7	172.1	-95.4	95.1	0	0	0	112.9	T38 R39 N44 Q45 S46	T38-L42 HydrophobicContact CG2-CD1 3.72Å; T38-L42 VanDerWaalsContact O-CD1 3.22Å; T38-L42 WeakPolarHBondContact O-CD1 3.22Å; T38-L42 PolarHBondContact O-N 3.39Å; T38-L42 VanDerWaalsContact O-N 3.12Å; R39-L42 PolarHBondContact O-N 2.89Å; L42-N44 VanDerWaalsContact C-N 3.25Å; L42-N44 PolarHBondContact O-N 3.07Å; L42-Q45 CarbonylContact O-C 3.52Å; L42-Q45 WeakPolarHBondContact O-CA 3.24Å; L42-Q45 WeakPolarHBondContact O-CB 3.47Å; L42-Q45 PolarHBondContact O-N 2.84Å; L42-S46 PolarHBondContact O-N 3.44Å
43	S	33.7	Very low	53.1	Low	58 Å²	58	101 Å²	101	41%	0.406	53%	0.531	S	S	.	.	H	α-helix	trans	-64.9	-29.3	-177.8	70	0	0	0	0	113	R39 L40 Q45 S46	R39-S43 WeakPolarHBondContact O-CB 3.2Å; R39-S43 PolarHBondContact O-N 3.34Å; L40-S43 PolarHBondContact O-OG 3.35Å; S43-Q45 VanDerWaalsContact C-N 3.35Å; S43-S46 PolarHBondContact O-OG 3.13Å
44	N	41.2	Very low	56.1	Low	123 Å²	123	95.2 Å²	95.2	66%	0.658	50%	0.502	S	S	*	.	H	α-helix	trans	-78.2	-19.8	172.6	-79.5	-26.1	0	0	0	113.2	L42	L42-N44 VanDerWaalsContact C-N 3.25Å; L42-N44 PolarHBondContact O-N 3.07Å
45	Q	48.2	Very low	58.9	Low	52 Å²	52	86.5 Å²	86.5	24%	0.243	47%	0.466	C	S	.	.	H	α-helix	trans	-83.7	-30.8	170	-75.9	-170.9	-14.7	0	0	112.1	L42 S43 N47 K48	L42-Q45 CarbonylContact O-C 3.52Å; L42-Q45 WeakPolarHBondContact O-CA 3.24Å; L42-Q45 WeakPolarHBondContact O-CB 3.47Å; L42-Q45 PolarHBondContact O-N 2.84Å; S43-Q45 VanDerWaalsContact C-N 3.35Å; Q45-N47 PolarHBondContact O-N 3.11Å; Q45-N47 VanDerWaalsContact O-N 3.17Å; Q45-K48 WeakPolarHBondContact O-CB 3.48Å; Q45-K48 PolarHBondContact O-N 3.2Å
46	S	47.3	Very low	61.3	Low	89 Å²	89	87.7 Å²	87.7	62%	0.622	47%	0.47	S	S	*	.	H	α-helix	trans	-65.1	-23.3	-172.4	68.6	0	0	0	0	114.4	L42 S43 K48	L42-S46 PolarHBondContact O-N 3.44Å; S43-S46 PolarHBondContact O-OG 3.13Å; S46-K48 VanDerWaalsContact C-N 3.32Å
47	N	58	Low	63.9	Low	155 Å²	155	82.6 Å²	82.6	83%	0.829	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-2.3	173.9	-79.4	-1.8	0	0	0	113.6	Q45	Q45-N47 PolarHBondContact O-N 3.11Å; Q45-N47 VanDerWaalsContact O-N 3.17Å
48	K	71.1	Confident	66.5	Low	81 Å²	81	76.4 Å²	76.4	35%	0.352	42%	0.421	S	S	.	.	S	Bend	trans	-104.8	132.7	-179.2	-63.8	-179	163.7	-154	0	108.5	Q45 S46 Y50	Q45-K48 WeakPolarHBondContact O-CB 3.48Å; Q45-K48 PolarHBondContact O-N 3.2Å; S46-K48 VanDerWaalsContact C-N 3.32Å; K48-Y50 HydrophobicContact CB-CD1 4.19Å; K48-Y50 HydrophobicContact CB-CE1 3.98Å; K48-Y50 HydrophobicContact CD-CE1 4.29Å; K48-Y50 HydrophobicContact CD-CE2 4.21Å; K48-Y50 WeakPolarHBondContact CD-OH 3.49Å; K48-Y50 HydrophobicContact CG-CE1 4.47Å; K48-Y50 PolarHBondContact NZ-OH 3.23Å; K48-Y50 PolarHBondContact O-N 3.1Å
49	G	86	Confident	69	Low	45 Å²	45	75.2 Å²	75.2	46%	0.464	42%	0.415	S	S	.	.	S	Bend	trans	-65.5	16.6	174.9	0	0	0	0	0	114.7	A110	G49-A110 PolarHBondContact O-N 3.35Å; G49-A110 VanDerWaalsContact O-N 3.15Å
50	Y	92.1	Very high	72.1	Confident	11 Å²	11	69 Å²	69	4%	0.043	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	152.7	177.3	62.3	-88.6	0	0	0	111.8	K48 T107 L108 E176 I177 A180	K48-Y50 HydrophobicContact CB-CD1 4.19Å; K48-Y50 HydrophobicContact CB-CE1 3.98Å; K48-Y50 HydrophobicContact CD-CE1 4.29Å; K48-Y50 HydrophobicContact CD-CE2 4.21Å; K48-Y50 WeakPolarHBondContact CD-OH 3.49Å; K48-Y50 HydrophobicContact CG-CE1 4.47Å; K48-Y50 PolarHBondContact NZ-OH 3.23Å; K48-Y50 PolarHBondContact O-N 3.1Å; Y50-T107 HydrophobicContact CD2-CG2 4.28Å; Y50-L108 CarbonylContact C-O 3.54Å; Y50-L108 WeakPolarHBondContact CA-O 3.4Å; Y50-L108 WeakPolarHBondContact CB-O 3.4Å; Y50-E176 VanDerWaalsContact CE1-OE1 3.29Å; Y50-E176 WeakPolarHBondContact CE1-OE1 3.46Å; Y50-E176 PolarHBondContact OH-OE1 2.86Å; Y50-I177 HydrophobicContact CD1-CD1 4.38Å; Y50-I177 HydrophobicContact CD1-CG1 3.82Å; Y50-I177 HydrophobicContact CD2-CG1 4.45Å; Y50-I177 HydrophobicContact CE1-CG1 3.94Å; Y50-I177 HydrophobicContact CG-CG1 4.09Å; Y50-A180 HydrophobicContact CE2-CB 3.61Å; Y50-A180 WeakPolarHBondContact OH-CB 3.31Å
51	V	93.2	Very high	74.9	Confident	33 Å²	33	70.3 Å²	70.3	20%	0.2	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	138.4	173.1	-64.7	0	0	0	0	110.2	K53 T107 L108 A110	V51-K53 HydrophobicContact CG2-CG 4.29Å; V51-T107 VanDerWaalsContact O-CA 3.26Å; V51-T107 WeakPolarHBondContact O-CA 3.41Å; V51-L108 HydrophobicContact CG2-CB 4.01Å; V51-L108 PolarHBondContact N-O 2.96Å; V51-L108 PolarHBondContact O-N 3.23Å; V51-A110 HydrophobicContact CG1-CB 4.43Å
52	I	94.6	Very high	77.7	Confident	21 Å²	21	68.3 Å²	68.3	11%	0.108	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	131.1	174.2	-49.9	-175.8	0	0	0	108.8	I106 T107 A180 Y184	I52-I106 WeakPolarHBondContact CA-O 3.41Å; I52-T107 HydrophobicContact CB-CG2 4.41Å; I52-T107 HydrophobicContact CG1-CG2 3.82Å; I52-A180 HydrophobicContact CD1-CB 4.05Å; I52-Y184 HydrophobicContact CB-CD2 4.45Å; I52-Y184 HydrophobicContact CD1-CD2 4.32Å; I52-Y184 HydrophobicContact CD1-CG 4.18Å; I52-Y184 HydrophobicContact CG2-CD1 3.94Å; I52-Y184 HydrophobicContact CG2-CD2 3.97Å; I52-Y184 HydrophobicContact CG2-CE1 4.19Å; I52-Y184 HydrophobicContact CG2-CE2 4.21Å; I52-Y184 HydrophobicContact CG2-CG 3.82Å
53	K	93.9	Very high	80.4	Confident	90 Å²	90	63.5 Å²	63.5	39%	0.391	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	163.9	-179.1	-62.8	-67.1	-175.2	178.1	0	110.9	V51 S105 I106 L108	V51-K53 HydrophobicContact CG2-CG 4.29Å; K53-S105 WeakPolarHBondContact O-CA 3.44Å; K53-S105 WeakPolarHBondContact O-CB 3.18Å; K53-I106 HydrophobicContact CB-CG1 4.11Å; K53-I106 PolarHBondContact N-O 3.43Å; K53-I106 PolarHBondContact O-N 3.19Å; K53-L108 HydrophobicContact CG-CD1 4.03Å
54	T	93	Very high	83.3	Confident	49 Å²	49	60.8 Å²	60.8	30%	0.301	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	160.2	170.1	59.1	0	0	0	0	110.6	T56 S57	T54-T56 PolarHBondContact O-N 2.91Å; T54-T56 VanDerWaalsContact O-N 3.1Å; T54-T56 PolarHBondContact OG1-OG1 2.76Å; T54-S57 WeakPolarHBondContact O-CB 3.01Å; T54-S57 PolarHBondContact O-N 3.3Å; T54-S57 PolarHBondContact O-OG 2.88Å; T54-S57 PolarHBondContact OG1-OG 3.01Å
55	I	92.4	Very high	85.9	Confident	22 Å²	22	57.1 Å²	57.1	11%	0.113	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-61.3	-21	179.3	67.5	174.8	0	0	0	113.5	S57 I63 W96 A99 Q101	I55-S57 PolarHBondContact O-N 3.33Å; I55-I63 HydrophobicContact CB-CD1 4.24Å; I55-I63 VanDerWaalsContact O-CD1 3.23Å; I55-I63 WeakPolarHBondContact O-CD1 3.48Å; I55-W96 HydrophobicContact CB-CZ3 4.34Å; I55-W96 HydrophobicContact CG2-CE3 3.97Å; I55-W96 HydrophobicContact CG2-CH2 4.4Å; I55-W96 HydrophobicContact CG2-CZ3 3.41Å; I55-W96 VanDerWaalsContact CG2-CZ3 3.41Å; I55-A99 HydrophobicContact CD1-CB 4.23Å; I55-Q101 HydrophobicContact CD1-CG 4.34Å
56	T	91.7	Very high	88	Confident	99 Å²	99	56.4 Å²	56.4	61%	0.607	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-75.8	-9.5	177.5	53.8	0	0	0	0	113.3	T54 A58	T54-T56 PolarHBondContact O-N 2.91Å; T54-T56 VanDerWaalsContact O-N 3.1Å; T54-T56 PolarHBondContact OG1-OG1 2.76Å; T56-A58 VanDerWaalsContact C-N 3.28Å; T56-A58 PolarHBondContact O-N 3.41Å
57	S	91	Very high	90.2	Very high	59 Å²	59	52.2 Å²	52.2	41%	0.413	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-81.8	-4.9	-179.5	-57.7	0	0	0	0	113.7	T54 I55	T54-S57 WeakPolarHBondContact O-CB 3.01Å; T54-S57 PolarHBondContact O-N 3.3Å; T54-S57 PolarHBondContact O-OG 2.88Å; T54-S57 PolarHBondContact OG1-OG 3.01Å; I55-S57 PolarHBondContact O-N 3.33Å
58	A	90.8	Very high	91.9	Very high	9 Å²	9	44.9 Å²	44.9	7%	0.074	24%	0.242	C	C	.	.	S	Bend	trans	-137	148.5	172.3	0	0	0	0	0	110.2	T56 L60 I63 I106	T56-A58 VanDerWaalsContact C-N 3.28Å; T56-A58 PolarHBondContact O-N 3.41Å; A58-L60 PolarHBondContact O-N 2.88Å; A58-I63 HydrophobicContact CB-CD1 4.24Å; A58-I63 HydrophobicContact CB-CG1 4.08Å; A58-I106 HydrophobicContact CB-CD1 3.56Å
59	P	93.2	Very high	92.8	Very high	63 Å²	63	44.4 Å²	44.4	41%	0.409	24%	0.244	S	C	.	.			trans	-54.1	133.2	171.2	-26	32.5	0	0	0	112	Y61 R62 I63	P59-Y61 VanDerWaalsContact C-N 3.25Å; P59-Y61 HydrophobicContact CB-CD1 3.6Å; P59-Y61 HydrophobicContact CB-CE1 3.32Å; P59-Y61 HydrophobicContact CG-CE1 4.09Å; P59-Y61 PolarHBondContact O-N 2.84Å; P59-Y61 VanDerWaalsContact O-N 3.15Å; P59-R62 HydrophobicContact CB-CG 4.33Å; P59-R62 WeakPolarHBondContact O-CB 3.46Å; P59-R62 PolarHBondContact O-N 2.69Å; P59-I63 PolarHBondContact O-N 3.26Å
60	L	94.7	Very high	93	Very high	52 Å²	52	45 Å²	45	27%	0.272	24%	0.236	S	C	.	.	H	α-helix	trans	-51.2	-43.3	-177.1	175.7	61.1	0	0	0	112.7	A58 R62 I63 V64 Y93 W96 K97	A58-L60 PolarHBondContact O-N 2.88Å; L60-R62 PolarHBondContact O-N 2.88Å; L60-I63 PolarHBondContact O-N 3.29Å; L60-I63 VanDerWaalsContact O-N 3.1Å; L60-V64 HydrophobicContact CD1-CG2 3.83Å; L60-V64 HydrophobicContact CG-CG2 4.12Å; L60-V64 WeakPolarHBondContact O-CG2 3.43Å; L60-V64 PolarHBondContact O-N 3.1Å; L60-Y93 HydrophobicContact CD2-CD2 4.2Å; L60-Y93 HydrophobicContact CD2-CE2 3.66Å; L60-Y93 HydrophobicContact CG-CD2 4.37Å; L60-Y93 HydrophobicContact CG-CE2 4.08Å; L60-W96 HydrophobicContact CD1-CB 3.52Å; L60-W96 HydrophobicContact CD1-CG 4.23Å; L60-K97 HydrophobicContact CD2-CG 3.87Å
61	Y	94.4	Very high	92.9	Very high	147 Å²	147	44.7 Å²	44.7	58%	0.576	24%	0.235	S	C	*	.	H	α-helix	trans	-61.8	-31.4	-179.5	78.6	-90.7	0	0	0	112.8	P59 S65	P59-Y61 VanDerWaalsContact C-N 3.25Å; P59-Y61 HydrophobicContact CB-CD1 3.6Å; P59-Y61 HydrophobicContact CB-CE1 3.32Å; P59-Y61 HydrophobicContact CG-CE1 4.09Å; P59-Y61 PolarHBondContact O-N 2.84Å; P59-Y61 VanDerWaalsContact O-N 3.15Å; Y61-S65 WeakPolarHBondContact O-CB 3.34Å; Y61-S65 PolarHBondContact O-N 2.85Å
62	R	93.7	Very high	92.7	Very high	75 Å²	75	45.1 Å²	45.1	28%	0.283	24%	0.235	S	C	.	.	H	α-helix	trans	-68.5	-42.2	175.2	-69.5	-177.3	68.9	-171.1	2.8	110.5	P59 L60 Y66 E114 S115 L117	P59-R62 HydrophobicContact CB-CG 4.33Å; P59-R62 WeakPolarHBondContact O-CB 3.46Å; P59-R62 PolarHBondContact O-N 2.69Å; L60-R62 PolarHBondContact O-N 2.88Å; R62-Y66 WeakPolarHBondContact O-CB 3.48Å; R62-Y66 PolarHBondContact O-N 3.35Å; R62-E114 PolarHBondContact NH1-O 3Å; R62-E114 PolarHBondContact NH2-O 2.93Å; R62-S115 PolarHBondContact NH2-O 2.99Å; R62-L117 HydrophobicContact CB-CD1 4.07Å; R62-L117 WeakPolarHBondContact O-CD1 3.47Å
63	I	94.6	Very high	92.3	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-63.6	-49.1	177.7	-56.7	174.4	0	0	0	109.9	I55 A58 P59 L60 Y66 F67 W96 I106 L117 A120	I55-I63 HydrophobicContact CB-CD1 4.24Å; I55-I63 VanDerWaalsContact O-CD1 3.23Å; I55-I63 WeakPolarHBondContact O-CD1 3.48Å; A58-I63 HydrophobicContact CB-CD1 4.24Å; A58-I63 HydrophobicContact CB-CG1 4.08Å; P59-I63 PolarHBondContact O-N 3.26Å; L60-I63 PolarHBondContact O-N 3.29Å; L60-I63 VanDerWaalsContact O-N 3.1Å; I63-Y66 PolarHBondContact O-N 3.38Å; I63-F67 WeakPolarHBondContact O-CB 3.23Å; I63-F67 PolarHBondContact O-N 3.02Å; I63-W96 HydrophobicContact CG2-CD2 3.84Å; I63-W96 VanDerWaalsContact CG2-CE2 3.48Å; I63-W96 HydrophobicContact CG2-CE3 4.17Å; I63-W96 HydrophobicContact CG2-CH2 3.81Å; I63-W96 HydrophobicContact CG2-CZ2 3.46Å; I63-W96 VanDerWaalsContact CG2-CZ2 3.46Å; I63-W96 HydrophobicContact CG2-CZ3 4.17Å; I63-I106 HydrophobicContact CD1-CD1 4.41Å; I63-I106 HydrophobicContact CD1-CG2 3.92Å; I63-I106 HydrophobicContact CG1-CG2 4.15Å; I63-I106 HydrophobicContact CG2-CG2 4.22Å; I63-L117 HydrophobicContact CG1-CD1 4.17Å; I63-A120 HydrophobicContact CG2-CB 4.4Å
64	V	95.3	Very high	91.7	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-62.1	-48.9	179.7	175.5	0	0	0	0	110.5	L60 Y66 F67 T68 Y89 I92 Y93 W96	L60-V64 HydrophobicContact CD1-CG2 3.83Å; L60-V64 HydrophobicContact CG-CG2 4.12Å; L60-V64 WeakPolarHBondContact O-CG2 3.43Å; L60-V64 PolarHBondContact O-N 3.1Å; V64-Y66 PolarHBondContact O-N 3.42Å; V64-F67 PolarHBondContact O-N 2.92Å; V64-T68 WeakPolarHBondContact O-CB 3.33Å; V64-T68 PolarHBondContact O-N 2.91Å; V64-T68 PolarHBondContact O-OG1 3.37Å; V64-T68 VanDerWaalsContact O-OG1 3.07Å; V64-Y89 HydrophobicContact CB-CE2 4.49Å; V64-Y89 HydrophobicContact CG1-CD1 4.21Å; V64-Y89 HydrophobicContact CG1-CD2 3.94Å; V64-Y89 HydrophobicContact CG1-CE1 3.83Å; V64-Y89 HydrophobicContact CG1-CE2 3.56Å; V64-Y89 HydrophobicContact CG1-CG 4.24Å; V64-Y89 VanDerWaalsContact CG1-CZ 3.48Å; V64-I92 HydrophobicContact CG1-CG2 4.08Å; V64-Y93 HydrophobicContact CG1-CD2 4.47Å; V64-Y93 HydrophobicContact CG2-CD2 3.98Å; V64-Y93 HydrophobicContact CG2-CG 4.48Å; V64-W96 HydrophobicContact CG2-CB 4.49Å; V64-W96 HydrophobicContact CG2-CG 4.39Å
65	S	94.1	Very high	91.2	Very high	46 Å²	46	49.2 Å²	49.2	32%	0.322	27%	0.265	S	S	.	.	H	α-helix	trans	-59.4	-47	178.3	-177.5	0	0	0	0	112.2	Y61 F67 N69	Y61-S65 WeakPolarHBondContact O-CB 3.34Å; Y61-S65 PolarHBondContact O-N 2.85Å; S65-F67 VanDerWaalsContact C-N 3.35Å; S65-F67 PolarHBondContact O-N 3.18Å; S65-N69 WeakPolarHBondContact O-CB 3.49Å; S65-N69 PolarHBondContact O-N 3.33Å; S65-N69 VanDerWaalsContact O-N 3.12Å; S65-N69 PolarHBondContact O-ND2 3.37Å; S65-N69 PolarHBondContact O-OD1 3.3Å
66	Y	93.7	Very high	90.7	Very high	38 Å²	38	48.9 Å²	48.9	15%	0.149	27%	0.265	C	S	.	.	H	α-helix	trans	-59.2	-45.9	175.1	174.3	-101.5	0	0	0	112.1	R62 I63 V64 L70 L117 N118 G119 A120 V171	R62-Y66 WeakPolarHBondContact O-CB 3.48Å; R62-Y66 PolarHBondContact O-N 3.35Å; I63-Y66 PolarHBondContact O-N 3.38Å; V64-Y66 PolarHBondContact O-N 3.42Å; Y66-L70 HydrophobicContact CD2-CD1 4.16Å; Y66-L70 HydrophobicContact CE1-CD1 3.84Å; Y66-L70 HydrophobicContact CE2-CD1 3.41Å; Y66-L70 VanDerWaalsContact CE2-CD1 3.41Å; Y66-L70 HydrophobicContact CE2-CG 4.19Å; Y66-L70 PolarHBondContact O-N 3.15Å; Y66-L70 WeakPolarHBondContact OH-CD1 3.24Å; Y66-L117 HydrophobicContact CD1-CB 4.07Å; Y66-L117 HydrophobicContact CD1-CD1 4.48Å; Y66-L117 HydrophobicContact CD2-CB 3.9Å; Y66-L117 HydrophobicContact CE1-CB 4.39Å; Y66-L117 HydrophobicContact CE2-CB 4.24Å; Y66-L117 VanDerWaalsContact CE2-O 3.26Å; Y66-L117 WeakPolarHBondContact CE2-O 3.04Å; Y66-L117 HydrophobicContact CG-CB 3.82Å; Y66-L117 HydrophobicContact CG-CD1 4.17Å; Y66-N118 WeakPolarHBondContact OH-CA 3.16Å; Y66-N118 PolarHBondContact OH-O 2.74Å; Y66-N118 VanDerWaalsContact OH-O 3.11Å; Y66-G119 PolarHBondContact OH-N 2.78Å; Y66-A120 HydrophobicContact CD1-CB 4.26Å; Y66-A120 HydrophobicContact CE1-CB 4.3Å; Y66-V171 HydrophobicContact CD1-CG2 4.07Å; Y66-V171 HydrophobicContact CE1-CG2 3.66Å
67	F	93.1	Very high	90.2	Very high	1 Å²	1	45.3 Å²	45.3	0%	0.004	24%	0.241	C	C	.	.	H	α-helix	trans	-63.1	-55.4	-178.6	-168.8	-80.2	0	0	0	111.5	I63 V64 S65 N69 L70 T71 Y88 I92 W96 A120 L169 V171	I63-F67 WeakPolarHBondContact O-CB 3.23Å; I63-F67 PolarHBondContact O-N 3.02Å; V64-F67 PolarHBondContact O-N 2.92Å; S65-F67 VanDerWaalsContact C-N 3.35Å; S65-F67 PolarHBondContact O-N 3.18Å; F67-N69 PolarHBondContact O-N 3.03Å; F67-L70 PolarHBondContact O-N 3.45Å; F67-T71 HydrophobicContact CD1-CG2 3.96Å; F67-T71 HydrophobicContact CE1-CG2 3.39Å; F67-T71 HydrophobicContact CE2-CG2 4.45Å; F67-T71 HydrophobicContact CZ-CG2 3.64Å; F67-T71 PolarHBondContact O-N 3.21Å; F67-T71 PolarHBondContact O-OG1 3.45Å; F67-Y88 WeakPolarHBondContact CE1-OH 3.24Å; F67-I92 HydrophobicContact CB-CG2 4.15Å; F67-I92 HydrophobicContact CD1-CB 4.48Å; F67-I92 HydrophobicContact CD1-CD1 3.8Å; F67-I92 HydrophobicContact CD1-CG1 3.98Å; F67-I92 HydrophobicContact CD1-CG2 3.63Å; F67-I92 HydrophobicContact CE1-CD1 3.56Å; F67-I92 HydrophobicContact CE1-CG1 4.22Å; F67-I92 HydrophobicContact CE1-CG2 4.43Å; F67-I92 HydrophobicContact CG-CG2 4.05Å; F67-W96 AromaticContact CD2-CZ2 3.95Å; F67-W96 HydrophobicContact CD2-CZ2 3.95Å; F67-A120 HydrophobicContact CD2-CB 4.35Å; F67-L169 HydrophobicContact CE1-CB 4.2Å; F67-L169 HydrophobicContact CE1-CD2 4.05Å; F67-L169 HydrophobicContact CE2-CB 3.99Å; F67-L169 WeakPolarHBondContact CE2-O 3.46Å; F67-L169 VanDerWaalsContact CZ-CA 3.47Å; F67-L169 HydrophobicContact CZ-CB 3.48Å; F67-L169 VanDerWaalsContact CZ-CB 3.48Å; F67-L169 HydrophobicContact CZ-CD2 3.99Å; F67-L169 HydrophobicContact CZ-CG 4.32Å; F67-V171 HydrophobicContact CD2-CG1 4.36Å; F67-V171 HydrophobicContact CD2-CG2 3.63Å; F67-V171 HydrophobicContact CE2-CB 4.48Å; F67-V171 HydrophobicContact CE2-CG1 4.06Å; F67-V171 HydrophobicContact CE2-CG2 3.96Å; F67-V171 HydrophobicContact CG-CG2 4.28Å; F67-V171 HydrophobicContact CZ-CG1 4.27Å
68	T	92.4	Very high	89.8	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-56.1	-53.9	-177.2	-64.2	0	0	0	0	110.3	V64 L70 T71 E72 Y88 Y89	V64-T68 WeakPolarHBondContact O-CB 3.33Å; V64-T68 PolarHBondContact O-N 2.91Å; V64-T68 PolarHBondContact O-OG1 3.37Å; V64-T68 VanDerWaalsContact O-OG1 3.07Å; T68-L70 PolarHBondContact O-N 3.24Å; T68-T71 PolarHBondContact O-N 3.17Å; T68-T71 PolarHBondContact O-OG1 2.86Å; T68-E72 HydrophobicContact CG2-CG 4.28Å; T68-E72 WeakPolarHBondContact CG2-OE2 3.3Å; T68-E72 WeakPolarHBondContact O-CB 3.25Å; T68-E72 WeakPolarHBondContact O-CG 3.46Å; T68-E72 PolarHBondContact O-N 3.01Å; T68-Y88 HydrophobicContact CG2-CD1 3.85Å; T68-Y88 HydrophobicContact CG2-CE1 4.11Å; T68-Y89 HydrophobicContact CG2-CD2 4.09Å
69	N	91.4	Very high	89.4	Confident	71 Å²	71	48.1 Å²	48.1	38%	0.38	25%	0.248	S	C	.	.	H	α-helix	trans	-57.3	-48.7	-178.2	-66.3	-4.8	0	0	0	111.8	S65 F67 T71 E72 E73	S65-N69 WeakPolarHBondContact O-CB 3.49Å; S65-N69 PolarHBondContact O-N 3.33Å; S65-N69 VanDerWaalsContact O-N 3.12Å; S65-N69 PolarHBondContact O-ND2 3.37Å; S65-N69 PolarHBondContact O-OD1 3.3Å; F67-N69 PolarHBondContact O-N 3.03Å; N69-T71 PolarHBondContact O-N 3.04Å; N69-E72 PolarHBondContact O-N 3.48Å; N69-E73 WeakPolarHBondContact O-CB 3.4Å; N69-E73 VanDerWaalsContact O-CG 3.29Å; N69-E73 WeakPolarHBondContact O-CG 3.21Å; N69-E73 PolarHBondContact O-N 3.31Å
70	L	90.7	Very high	88.9	Confident	57 Å²	57	47.7 Å²	47.7	30%	0.298	24%	0.242	S	C	.	.	H	α-helix	trans	-68.2	-37.4	-178.6	-75.8	-171.3	0	0	0	113.6	Y66 F67 T68 G74 V171	Y66-L70 HydrophobicContact CD2-CD1 4.16Å; Y66-L70 HydrophobicContact CE1-CD1 3.84Å; Y66-L70 HydrophobicContact CE2-CD1 3.41Å; Y66-L70 VanDerWaalsContact CE2-CD1 3.41Å; Y66-L70 HydrophobicContact CE2-CG 4.19Å; Y66-L70 PolarHBondContact O-N 3.15Å; Y66-L70 WeakPolarHBondContact OH-CD1 3.24Å; F67-L70 PolarHBondContact O-N 3.45Å; T68-L70 PolarHBondContact O-N 3.24Å; L70-G74 PolarHBondContact O-N 2.69Å; L70-V171 HydrophobicContact CB-CB 4.23Å; L70-V171 HydrophobicContact CB-CG1 4.16Å; L70-V171 HydrophobicContact CB-CG2 4.47Å; L70-V171 HydrophobicContact CD1-CB 4.27Å; L70-V171 HydrophobicContact CD1-CG2 4.31Å
71	T	89.6	Confident	88.4	Confident	5 Å²	5	45.6 Å²	45.6	3%	0.031	23%	0.231	C	C	.	.	H	α-helix	trans	-71.4	-39.2	177.5	47.8	0	0	0	0	112.8	F67 T68 N69 E73 E75 Y88 V171	F67-T71 HydrophobicContact CD1-CG2 3.96Å; F67-T71 HydrophobicContact CE1-CG2 3.39Å; F67-T71 HydrophobicContact CE2-CG2 4.45Å; F67-T71 HydrophobicContact CZ-CG2 3.64Å; F67-T71 PolarHBondContact O-N 3.21Å; F67-T71 PolarHBondContact O-OG1 3.45Å; T68-T71 PolarHBondContact O-N 3.17Å; T68-T71 PolarHBondContact O-OG1 2.86Å; N69-T71 PolarHBondContact O-N 3.04Å; T71-E73 VanDerWaalsContact C-N 3.32Å; T71-E75 PolarHBondContact O-N 2.87Å; T71-Y88 VanDerWaalsContact CB-OH 3.25Å; T71-Y88 WeakPolarHBondContact CB-OH 3.5Å; T71-Y88 WeakPolarHBondContact OG1-CE1 3.4Å; T71-Y88 PolarHBondContact OG1-OH 3.01Å; T71-V171 HydrophobicContact CG2-CG1 3.2Å
72	E	88.1	Confident	87.9	Confident	42 Å²	42	44.8 Å²	44.8	20%	0.196	24%	0.236	C	C	.	.	H	α-helix	trans	-66.4	-34.9	176.7	-73	-179.4	151.4	0	0	111.5	T68 N69 V78 H79 H85 Y88	T68-E72 HydrophobicContact CG2-CG 4.28Å; T68-E72 WeakPolarHBondContact CG2-OE2 3.3Å; T68-E72 WeakPolarHBondContact O-CB 3.25Å; T68-E72 WeakPolarHBondContact O-CG 3.46Å; T68-E72 PolarHBondContact O-N 3.01Å; N69-E72 PolarHBondContact O-N 3.48Å; E72-V78 HydrophobicContact CG-CG1 4.06Å; E72-H79 WeakPolarHBondContact O-CB 3.46Å; E72-H79 PolarHBondContact O-CD2 3.21Å; E72-H85 VanDerWaalsContact CD-ND1 3.3Å; E72-H85 WeakPolarHBondContact OE1-CA 3.42Å; E72-H85 IonicContact OE1-CG 3.68Å; E72-H85 IonicContact OE1-ND1 3.05Å; E72-H85 PolarHBondContact OE1-ND1 3.28Å; E72-H85 IonicContact OE2-CE1 3.44Å; E72-H85 PolarHBondContact OE2-CE1 2.95Å; E72-H85 IonicContact OE2-CG 3.93Å; E72-H85 IonicContact OE2-ND1 2.76Å; E72-H85 PolarHBondContact OE2-ND1 3.08Å; E72-Y88 HydrophobicContact CG-CD1 3.69Å; E72-Y88 HydrophobicContact CG-CE1 3.85Å; E72-Y88 WeakPolarHBondContact OE1-CD1 3.3Å
73	E	86.2	Confident	87.6	Confident	149 Å²	149	42.3 Å²	42.3	70%	0.696	23%	0.229	S	C	*	.	H	α-helix	trans	-77.7	-37.3	176.6	-72.3	174.3	-174.4	0	0	113.4	N69 T71	N69-E73 WeakPolarHBondContact O-CB 3.4Å; N69-E73 VanDerWaalsContact O-CG 3.29Å; N69-E73 WeakPolarHBondContact O-CG 3.21Å; N69-E73 PolarHBondContact O-N 3.31Å; T71-E73 VanDerWaalsContact C-N 3.32Å
74	G	80.7	Confident	87.4	Confident	49 Å²	49	45.4 Å²	45.4	51%	0.505	25%	0.249	S	C	.	.	H	α-helix	trans	-122.2	-21.5	-160.1	0	0	0	0	0	116.9	L70	L70-G74 PolarHBondContact O-N 2.69Å
75	E	83.8	Confident	87.3	Confident	48 Å²	48	49.9 Å²	49.9	22%	0.224	27%	0.27	C	S	.	.			trans	-101.6	114.3	-178	-88.7	-64	-100.5	0	0	112.7	T71 K77 V78 H79 R204	T71-E75 PolarHBondContact O-N 2.87Å; E75-K77 PolarHBondContact O-N 2.93Å; E75-V78 PolarHBondContact O-N 3.38Å; E75-H79 WeakPolarHBondContact O-CB 3.31Å; E75-H79 PolarHBondContact O-N 2.97Å; E75-R204 IonicContact OE2-CZ 3.92Å; E75-R204 IonicContact OE2-NH2 2.86Å; E75-R204 PolarHBondContact OE2-NH2 3.32Å
76	A	81.9	Confident	87.2	Confident	15 Å²	15	51.6 Å²	51.6	12%	0.124	28%	0.282	C	S	.	.	H	α-helix	trans	-55.9	-31	-177.6	0	0	0	0	0	113.3	V78 D80 L239 K243	A76-V78 PolarHBondContact O-N 3.17Å; A76-D80 WeakPolarHBondContact CB-OD2 3.15Å; A76-D80 WeakPolarHBondContact O-CB 3.27Å; A76-D80 PolarHBondContact O-N 2.97Å; A76-L239 HydrophobicContact CB-CD1 3.68Å; A76-K243 HydrophobicContact CB-CD 4.04Å
77	K	80.5	Confident	87.2	Confident	24 Å²	24	53.1 Å²	53.1	10%	0.104	29%	0.291	C	S	.	.	H	α-helix	trans	-69.8	-10	177.3	-60	169.5	-177	172.6	0	113.9	E75 L81 W234 Q247	E75-K77 PolarHBondContact O-N 2.93Å; K77-L81 WeakPolarHBondContact O-CD1 3.4Å; K77-L81 WeakPolarHBondContact O-CG 3.17Å; K77-W234 HydrophobicContact CB-CE3 4.26Å; K77-W234 HydrophobicContact CB-CH2 4.08Å; K77-W234 HydrophobicContact CB-CZ3 3.85Å; K77-W234 HydrophobicContact CD-CD2 4.03Å; K77-W234 HydrophobicContact CD-CE3 4.22Å; K77-W234 HydrophobicContact CD-CH2 3.7Å; K77-W234 HydrophobicContact CD-CZ2 3.48Å; K77-W234 VanDerWaalsContact CD-CZ2 3.48Å; K77-W234 HydrophobicContact CD-CZ3 4.06Å; K77-W234 VanDerWaalsContact CE-CE2 3.41Å; K77-W234 HydrophobicContact CG-CD2 3.93Å; K77-W234 HydrophobicContact CG-CE3 3.78Å; K77-W234 HydrophobicContact CG-CH2 3.97Å; K77-W234 HydrophobicContact CG-CZ2 4.12Å; K77-W234 HydrophobicContact CG-CZ3 3.79Å; K77-Q247 VanDerWaalsContact CE-CD 3.43Å
78	V	82.7	Confident	87.2	Confident	21 Å²	21	53.4 Å²	53.4	13%	0.127	29%	0.292	C	S	.	.	H	α-helix	trans	-116.1	-56.3	179.3	176.8	0	0	0	0	108.3	E72 E75 A76 D80 L81 Y88	E72-V78 HydrophobicContact CG-CG1 4.06Å; E75-V78 PolarHBondContact O-N 3.38Å; A76-V78 PolarHBondContact O-N 3.17Å; V78-D80 PolarHBondContact O-N 3.01Å; V78-L81 PolarHBondContact O-N 2.67Å; V78-Y88 HydrophobicContact CG1-CD1 3.94Å; V78-Y88 HydrophobicContact CG1-CD2 4.24Å; V78-Y88 HydrophobicContact CG1-CE1 3.5Å; V78-Y88 VanDerWaalsContact CG1-CE1 3.5Å; V78-Y88 HydrophobicContact CG1-CE2 3.82Å; V78-Y88 HydrophobicContact CG1-CG 4.3Å; V78-Y88 VanDerWaalsContact CG1-CZ 3.44Å; V78-Y88 HydrophobicContact CG2-CE2 4.06Å; V78-Y88 WeakPolarHBondContact CG2-OH 2.93Å
79	H	82.1	Confident	87.4	Confident	106 Å²	106	56.6 Å²	56.6	49%	0.491	31%	0.305	S	S	.	.	H	α-helix	trans	-55.6	-51.4	179	177.5	-87.3	0	0	0	112.2	E72 E75 L81 D82	E72-H79 WeakPolarHBondContact O-CB 3.46Å; E72-H79 PolarHBondContact O-CD2 3.21Å; E75-H79 WeakPolarHBondContact O-CB 3.31Å; E75-H79 PolarHBondContact O-N 2.97Å; H79-L81 PolarHBondContact O-N 2.83Å; H79-D82 PolarHBondContact O-N 3.31Å
80	D	84.2	Confident	87.6	Confident	55 Å²	55	55.8 Å²	55.8	29%	0.294	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-3.7	-172.8	-54.3	-11.8	0	0	0	112.9	A76 V78 K243	A76-D80 WeakPolarHBondContact CB-OD2 3.15Å; A76-D80 WeakPolarHBondContact O-CB 3.27Å; A76-D80 PolarHBondContact O-N 2.97Å; V78-D80 PolarHBondContact O-N 3.01Å; D80-K243 IonicContact OD1-NZ 3.69Å; D80-K243 IonicContact OD2-NZ 2.67Å; D80-K243 PolarHBondContact OD2-NZ 3.5Å
81	L	82.4	Confident	87.8	Confident	8 Å²	8	53.6 Å²	53.6	4%	0.042	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-3.7	178	-64.8	-171	0	0	0	113.4	K77 V78 H79 I83 R137 V141 M237	K77-L81 WeakPolarHBondContact O-CD1 3.4Å; K77-L81 WeakPolarHBondContact O-CG 3.17Å; V78-L81 PolarHBondContact O-N 2.67Å; H79-L81 PolarHBondContact O-N 2.83Å; L81-I83 VanDerWaalsContact C-N 3.27Å; L81-I83 HydrophobicContact CB-CD1 4.11Å; L81-I83 HydrophobicContact CB-CG1 3.96Å; L81-I83 HydrophobicContact CD1-CD1 4.33Å; L81-I83 PolarHBondContact O-N 2.96Å; L81-R137 WeakPolarHBondContact O-CD 3.34Å; L81-R137 PolarHBondContact O-NE 3.13Å; L81-V141 HydrophobicContact CD1-CG2 3.28Å; L81-M237 HydrophobicContact CD2-CB 4.43Å; L81-M237 WeakPolarHBondContact CD2-O 3.48Å
82	D	83.9	Confident	88	Confident	129 Å²	129	53.4 Å²	53.4	69%	0.69	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	42.7	178.8	-61.8	-38.6	0	0	0	113.4	H79	H79-D82 PolarHBondContact O-N 3.31Å
83	I	87.6	Confident	88.4	Confident	23 Å²	23	54.9 Å²	54.9	12%	0.118	29%	0.294	C	S	.	.			trans	-76.7	128.5	177.7	-57.3	169.4	0	0	0	108.6	L81 H85 M87 R137 I138	L81-I83 VanDerWaalsContact C-N 3.27Å; L81-I83 HydrophobicContact CB-CD1 4.11Å; L81-I83 HydrophobicContact CB-CG1 3.96Å; L81-I83 HydrophobicContact CD1-CD1 4.33Å; L81-I83 PolarHBondContact O-N 2.96Å; I83-H85 PolarHBondContact O-N 3.45Å; I83-M87 HydrophobicContact CG2-CB 4.46Å; I83-R137 HydrophobicContact CG1-CB 4.12Å; I83-I138 HydrophobicContact CD1-CG1 4.02Å; I83-I138 HydrophobicContact CG2-CD1 3.86Å; I83-I138 HydrophobicContact CG2-CG1 3.78Å
84	P	91.3	Very high	88.9	Confident	67 Å²	67	50.7 Å²	50.7	44%	0.435	28%	0.276	S	S	.	.			trans	-58.5	133.2	177.1	-25.4	34.5	0	0	0	112.3	S86 M87 Y88	P84-S86 VanDerWaalsContact C-N 3.31Å; P84-S86 PolarHBondContact O-N 3.23Å; P84-M87 HydrophobicContact CB-CB 4.47Å; P84-M87 HydrophobicContact CB-CG 4.26Å; P84-M87 HydrophobicContact CB-SD 4.31Å; P84-M87 HydrophobicContact CG-CE 4.47Å; P84-M87 HydrophobicContact CG-SD 3.98Å; P84-M87 WeakPolarHBondContact O-CB 3.41Å; P84-M87 PolarHBondContact O-N 3Å; P84-Y88 PolarHBondContact O-N 3.24Å
85	H	92.4	Very high	89.6	Confident	94 Å²	94	48.5 Å²	48.5	44%	0.435	25%	0.253	S	S	.	.	H	α-helix	trans	-50.6	-46.3	-175.9	176.7	81	0	0	0	113.5	E72 I83 M87 Y88 Y89	E72-H85 VanDerWaalsContact CD-ND1 3.3Å; E72-H85 WeakPolarHBondContact OE1-CA 3.42Å; E72-H85 IonicContact OE1-CG 3.68Å; E72-H85 IonicContact OE1-ND1 3.05Å; E72-H85 PolarHBondContact OE1-ND1 3.28Å; E72-H85 IonicContact OE2-CE1 3.44Å; E72-H85 PolarHBondContact OE2-CE1 2.95Å; E72-H85 IonicContact OE2-CG 3.93Å; E72-H85 IonicContact OE2-ND1 2.76Å; E72-H85 PolarHBondContact OE2-ND1 3.08Å; I83-H85 PolarHBondContact O-N 3.45Å; H85-M87 VanDerWaalsContact C-N 3.29Å; H85-M87 PolarHBondContact O-N 2.81Å; H85-Y88 PolarHBondContact O-N 3.21Å; H85-Y89 VanDerWaalsContact O-CB 3.24Å; H85-Y89 WeakPolarHBondContact O-CB 3.38Å; H85-Y89 PolarHBondContact O-N 3.34Å
86	S	93.2	Very high	90.1	Very high	82 Å²	82	46.5 Å²	46.5	57%	0.573	24%	0.243	S	C	*	.	H	α-helix	trans	-61.6	-36.7	-179.4	57.3	0	0	0	0	113	P84 T90	P84-S86 VanDerWaalsContact C-N 3.31Å; P84-S86 PolarHBondContact O-N 3.23Å; S86-T90 WeakPolarHBondContact O-CB 3.5Å; S86-T90 PolarHBondContact O-N 2.91Å; S86-T90 PolarHBondContact O-OG1 3.01Å
87	M	93.3	Very high	90.6	Very high	70 Å²	70	51.9 Å²	51.9	35%	0.345	26%	0.264	S	S	.	.	H	α-helix	trans	-70.3	-46.3	176.3	-68.2	-175.7	-175.2	0	0	110.8	I83 P84 H85 T90 H91 P135 I138	I83-M87 HydrophobicContact CG2-CB 4.46Å; P84-M87 HydrophobicContact CB-CB 4.47Å; P84-M87 HydrophobicContact CB-CG 4.26Å; P84-M87 HydrophobicContact CB-SD 4.31Å; P84-M87 HydrophobicContact CG-CE 4.47Å; P84-M87 HydrophobicContact CG-SD 3.98Å; P84-M87 WeakPolarHBondContact O-CB 3.41Å; P84-M87 PolarHBondContact O-N 3Å; H85-M87 VanDerWaalsContact C-N 3.29Å; H85-M87 PolarHBondContact O-N 2.81Å; M87-T90 PolarHBondContact O-N 2.95Å; M87-H91 WeakPolarHBondContact O-CB 3.45Å; M87-H91 PolarHBondContact O-N 3.22Å; M87-P135 HydrophobicContact CB-CG 3.85Å; M87-P135 HydrophobicContact CG-CG 3.97Å; M87-P135 HydrophobicContact SD-CB 4.2Å; M87-P135 HydrophobicContact SD-CG 4.16Å; M87-I138 HydrophobicContact CB-CD1 4.36Å
88	Y	93.8	Very high	91.2	Very high	6 Å²	6	53.2 Å²	53.2	2%	0.024	28%	0.276	C	S	.	.	H	α-helix	trans	-66.9	-46.1	-179	-175.8	-118	0	0	0	112.1	F67 T68 T71 E72 V78 P84 H85 T90 H91 I92	F67-Y88 WeakPolarHBondContact CE1-OH 3.24Å; T68-Y88 HydrophobicContact CG2-CD1 3.85Å; T68-Y88 HydrophobicContact CG2-CE1 4.11Å; T71-Y88 VanDerWaalsContact CB-OH 3.25Å; T71-Y88 WeakPolarHBondContact CB-OH 3.5Å; T71-Y88 WeakPolarHBondContact OG1-CE1 3.4Å; T71-Y88 PolarHBondContact OG1-OH 3.01Å; E72-Y88 HydrophobicContact CG-CD1 3.69Å; E72-Y88 HydrophobicContact CG-CE1 3.85Å; E72-Y88 WeakPolarHBondContact OE1-CD1 3.3Å; V78-Y88 HydrophobicContact CG1-CD1 3.94Å; V78-Y88 HydrophobicContact CG1-CD2 4.24Å; V78-Y88 HydrophobicContact CG1-CE1 3.5Å; V78-Y88 VanDerWaalsContact CG1-CE1 3.5Å; V78-Y88 HydrophobicContact CG1-CE2 3.82Å; V78-Y88 HydrophobicContact CG1-CG 4.3Å; V78-Y88 VanDerWaalsContact CG1-CZ 3.44Å; V78-Y88 HydrophobicContact CG2-CE2 4.06Å; V78-Y88 WeakPolarHBondContact CG2-OH 2.93Å; P84-Y88 PolarHBondContact O-N 3.24Å; H85-Y88 PolarHBondContact O-N 3.21Å; Y88-T90 VanDerWaalsContact C-N 3.32Å; Y88-T90 PolarHBondContact O-N 3.28Å; Y88-H91 WeakPolarHBondContact O-CB 3.35Å; Y88-H91 PolarHBondContact O-N 3.39Å; Y88-I92 HydrophobicContact CD1-CG1 4.43Å; Y88-I92 HydrophobicContact CD2-CG1 4.21Å; Y88-I92 HydrophobicContact CE1-CG1 4.01Å; Y88-I92 HydrophobicContact CE2-CD1 3.78Å; Y88-I92 HydrophobicContact CE2-CG1 3.78Å; Y88-I92 WeakPolarHBondContact O-CG1 3.33Å; Y88-I92 PolarHBondContact O-N 3.12Å
89	Y	95.1	Very high	91.7	Very high	67 Å²	67	52.7 Å²	52.7	26%	0.263	27%	0.274	S	S	.	.	H	α-helix	trans	-55.2	-46.8	173.4	-173.5	-81.3	0	0	0	111.7	V64 T68 H85 H91 I92 Y93	V64-Y89 HydrophobicContact CB-CE2 4.49Å; V64-Y89 HydrophobicContact CG1-CD1 4.21Å; V64-Y89 HydrophobicContact CG1-CD2 3.94Å; V64-Y89 HydrophobicContact CG1-CE1 3.83Å; V64-Y89 HydrophobicContact CG1-CE2 3.56Å; V64-Y89 HydrophobicContact CG1-CG 4.24Å; V64-Y89 VanDerWaalsContact CG1-CZ 3.48Å; T68-Y89 HydrophobicContact CG2-CD2 4.09Å; H85-Y89 VanDerWaalsContact O-CB 3.24Å; H85-Y89 WeakPolarHBondContact O-CB 3.38Å; H85-Y89 PolarHBondContact O-N 3.34Å; Y89-H91 PolarHBondContact O-N 3.39Å; Y89-I92 PolarHBondContact O-N 2.87Å; Y89-Y93 WeakPolarHBondContact O-CB 3.33Å; Y89-Y93 PolarHBondContact O-N 3.26Å
90	T	95.7	Very high	92.3	Very high	54 Å²	54	49.7 Å²	49.7	33%	0.331	26%	0.262	S	S	.	.	H	α-helix	trans	-64.3	-41.9	179.4	-57.5	0	0	0	0	111.7	S86 M87 Y88 Y93 L94 Y133	S86-T90 WeakPolarHBondContact O-CB 3.5Å; S86-T90 PolarHBondContact O-N 2.91Å; S86-T90 PolarHBondContact O-OG1 3.01Å; M87-T90 PolarHBondContact O-N 2.95Å; Y88-T90 VanDerWaalsContact C-N 3.32Å; Y88-T90 PolarHBondContact O-N 3.28Å; T90-Y93 PolarHBondContact O-N 2.9Å; T90-L94 HydrophobicContact CG2-CD1 4.08Å; T90-L94 WeakPolarHBondContact O-CG 3.4Å; T90-L94 PolarHBondContact O-N 2.9Å; T90-Y133 HydrophobicContact CG2-CD1 3.79Å; T90-Y133 HydrophobicContact CG2-CE1 3.48Å; T90-Y133 VanDerWaalsContact CG2-CE1 3.48Å
91	H	95	Very high	92.7	Very high	12 Å²	12	53.6 Å²	53.6	6%	0.056	28%	0.278	C	S	.	.	H	α-helix	trans	-58.4	-51.4	173.6	170.4	77.9	0	0	0	111.7	M87 Y88 Y89 Y93 L94 A95 M132 Y133 I138	M87-H91 WeakPolarHBondContact O-CB 3.45Å; M87-H91 PolarHBondContact O-N 3.22Å; Y88-H91 WeakPolarHBondContact O-CB 3.35Å; Y88-H91 PolarHBondContact O-N 3.39Å; Y89-H91 PolarHBondContact O-N 3.39Å; H91-Y93 VanDerWaalsContact C-N 3.34Å; H91-Y93 PolarHBondContact O-N 2.94Å; H91-L94 PolarHBondContact O-N 3.17Å; H91-A95 VanDerWaalsContact O-CB 3.27Å; H91-A95 WeakPolarHBondContact O-CB 3.39Å; H91-A95 PolarHBondContact O-N 3.1Å; H91-M132 WeakPolarHBondContact CE1-CE 3.34Å; H91-Y133 HydrophobicContact CB-CD1 4.41Å; H91-Y133 PolarHBondContact ND1-O 3.44Å; H91-I138 HydrophobicContact CB-CD1 3.7Å
92	I	95.2	Very high	93.2	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-61	-43.6	178.8	-65.2	-56.2	0	0	0	110.8	V64 F67 Y88 Y89 L94 A95 W96 L169	V64-I92 HydrophobicContact CG1-CG2 4.08Å; F67-I92 HydrophobicContact CB-CG2 4.15Å; F67-I92 HydrophobicContact CD1-CB 4.48Å; F67-I92 HydrophobicContact CD1-CD1 3.8Å; F67-I92 HydrophobicContact CD1-CG1 3.98Å; F67-I92 HydrophobicContact CD1-CG2 3.63Å; F67-I92 HydrophobicContact CE1-CD1 3.56Å; F67-I92 HydrophobicContact CE1-CG1 4.22Å; F67-I92 HydrophobicContact CE1-CG2 4.43Å; F67-I92 HydrophobicContact CG-CG2 4.05Å; Y88-I92 HydrophobicContact CD1-CG1 4.43Å; Y88-I92 HydrophobicContact CD2-CG1 4.21Å; Y88-I92 HydrophobicContact CE1-CG1 4.01Å; Y88-I92 HydrophobicContact CE2-CD1 3.78Å; Y88-I92 HydrophobicContact CE2-CG1 3.78Å; Y88-I92 WeakPolarHBondContact O-CG1 3.33Å; Y88-I92 PolarHBondContact O-N 3.12Å; Y89-I92 PolarHBondContact O-N 2.87Å; I92-L94 PolarHBondContact O-N 3.16Å; I92-A95 WeakPolarHBondContact O-CB 3.35Å; I92-A95 PolarHBondContact O-N 3.39Å; I92-W96 PolarHBondContact O-N 3.25Å; I92-L169 HydrophobicContact CD1-CD1 3.91Å; I92-L169 HydrophobicContact CD1-CD2 3.82Å; I92-L169 HydrophobicContact CD1-CG 4.44Å
93	Y	96.3	Very high	93.8	Very high	73 Å²	73	51.3 Å²	51.3	29%	0.286	27%	0.266	S	S	.	.	H	α-helix	trans	-56.9	-47.6	176.9	-177.7	-88.1	0	0	0	112.6	L60 V64 Y89 T90 H91 K97	L60-Y93 HydrophobicContact CD2-CD2 4.2Å; L60-Y93 HydrophobicContact CD2-CE2 3.66Å; L60-Y93 HydrophobicContact CG-CD2 4.37Å; L60-Y93 HydrophobicContact CG-CE2 4.08Å; V64-Y93 HydrophobicContact CG1-CD2 4.47Å; V64-Y93 HydrophobicContact CG2-CD2 3.98Å; V64-Y93 HydrophobicContact CG2-CG 4.48Å; Y89-Y93 WeakPolarHBondContact O-CB 3.33Å; Y89-Y93 PolarHBondContact O-N 3.26Å; T90-Y93 PolarHBondContact O-N 2.9Å; H91-Y93 VanDerWaalsContact C-N 3.34Å; H91-Y93 PolarHBondContact O-N 2.94Å; Y93-K97 HydrophobicContact CE1-CD 3.91Å; Y93-K97 HydrophobicContact CE1-CG 4.46Å; Y93-K97 PolarHBondContact O-N 2.79Å; Y93-K97 VanDerWaalsContact OH-CE 3.25Å; Y93-K97 WeakPolarHBondContact OH-CE 3.27Å; Y93-K97 PolarHBondContact OH-NZ 2.97Å
94	L	95.9	Very high	94.2	Very high	62 Å²	62	50.2 Å²	50.2	33%	0.325	26%	0.26	S	S	.	.	H	α-helix	trans	-73.8	-31.9	179.9	-66.6	175.2	0	0	0	112.6	T90 H91 I92 K97 S98 Y133	T90-L94 HydrophobicContact CG2-CD1 4.08Å; T90-L94 WeakPolarHBondContact O-CG 3.4Å; T90-L94 PolarHBondContact O-N 2.9Å; H91-L94 PolarHBondContact O-N 3.17Å; I92-L94 PolarHBondContact O-N 3.16Å; L94-K97 PolarHBondContact O-N 3.35Å; L94-S98 PolarHBondContact O-N 3.05Å; L94-S98 PolarHBondContact O-OG 2.79Å; L94-Y133 HydrophobicContact CD1-CD1 4Å; L94-Y133 HydrophobicContact CD1-CD2 4.35Å; L94-Y133 HydrophobicContact CD1-CG 3.66Å
95	A	95.1	Very high	94.4	Very high	3 Å²	3	47 Å²	47	3%	0.025	24%	0.239	C	C	.	.	H	α-helix	trans	-60.8	-47.4	172.2	0	0	0	0	0	111	H91 I92 K97 S98 A99 L122 M132 L169	H91-A95 VanDerWaalsContact O-CB 3.27Å; H91-A95 WeakPolarHBondContact O-CB 3.39Å; H91-A95 PolarHBondContact O-N 3.1Å; I92-A95 WeakPolarHBondContact O-CB 3.35Å; I92-A95 PolarHBondContact O-N 3.39Å; A95-K97 VanDerWaalsContact C-N 3.3Å; A95-K97 PolarHBondContact O-N 2.96Å; A95-S98 CarbonylContact O-C 3.48Å; A95-S98 WeakPolarHBondContact O-CA 3.41Å; A95-S98 PolarHBondContact O-N 2.84Å; A95-A99 PolarHBondContact O-N 2.83Å; A95-A99 VanDerWaalsContact O-N 3.1Å; A95-L122 HydrophobicContact CB-CD1 3.77Å; A95-M132 HydrophobicContact CB-CE 3.37Å; A95-L169 HydrophobicContact CB-CD1 4.02Å
96	W	94.6	Very high	94.6	Very high	5 Å²	5	42.6 Å²	42.6	2%	0.019	22%	0.219	C	C	.	.	H	α-helix	trans	-64.5	-32.7	178.1	-82.3	105.3	0	0	0	113	I55 L60 I63 V64 F67 I92 S98 A99 A120 L122	I55-W96 HydrophobicContact CB-CZ3 4.34Å; I55-W96 HydrophobicContact CG2-CE3 3.97Å; I55-W96 HydrophobicContact CG2-CH2 4.4Å; I55-W96 HydrophobicContact CG2-CZ3 3.41Å; I55-W96 VanDerWaalsContact CG2-CZ3 3.41Å; L60-W96 HydrophobicContact CD1-CB 3.52Å; L60-W96 HydrophobicContact CD1-CG 4.23Å; I63-W96 HydrophobicContact CG2-CD2 3.84Å; I63-W96 VanDerWaalsContact CG2-CE2 3.48Å; I63-W96 HydrophobicContact CG2-CE3 4.17Å; I63-W96 HydrophobicContact CG2-CH2 3.81Å; I63-W96 HydrophobicContact CG2-CZ2 3.46Å; I63-W96 VanDerWaalsContact CG2-CZ2 3.46Å; I63-W96 HydrophobicContact CG2-CZ3 4.17Å; V64-W96 HydrophobicContact CG2-CB 4.49Å; V64-W96 HydrophobicContact CG2-CG 4.39Å; F67-W96 AromaticContact CD2-CZ2 3.95Å; F67-W96 HydrophobicContact CD2-CZ2 3.95Å; I92-W96 PolarHBondContact O-N 3.25Å; W96-S98 PolarHBondContact O-N 2.86Å; W96-A99 HydrophobicContact CE3-CB 4.31Å; W96-A99 VanDerWaalsContact O-CB 3.24Å; W96-A99 WeakPolarHBondContact O-CB 3.46Å; W96-A99 PolarHBondContact O-N 2.96Å; W96-A120 HydrophobicContact CH2-CB 3.94Å; W96-A120 HydrophobicContact CZ2-CB 3.82Å; W96-L122 HydrophobicContact CB-CD1 4.31Å; W96-L122 HydrophobicContact CD2-CB 4.13Å; W96-L122 HydrophobicContact CD2-CD1 3.67Å; W96-L122 HydrophobicContact CD2-CG 4.27Å; W96-L122 HydrophobicContact CE3-CB 4.06Å; W96-L122 HydrophobicContact CE3-CD1 4.12Å; W96-L122 HydrophobicContact CE3-CG 4.26Å; W96-L122 HydrophobicContact CG-CD1 3.73Å; W96-L122 HydrophobicContact CH2-CB 3.68Å; W96-L122 HydrophobicContact CZ2-CB 3.72Å; W96-L122 HydrophobicContact CZ3-CB 3.81Å; W96-L122 HydrophobicContact CZ3-CG 4.44Å
97	K	93.3	Very high	94.7	Very high	129 Å²	129	38.7 Å²	38.7	56%	0.561	19%	0.191	S	C	*	.	H	α-helix	trans	-63.8	-28.1	171.7	-77.8	-168.1	170.1	-178.9	0	113.2	L60 Y93 L94 A95	L60-K97 HydrophobicContact CD2-CG 3.87Å; Y93-K97 HydrophobicContact CE1-CD 3.91Å; Y93-K97 HydrophobicContact CE1-CG 4.46Å; Y93-K97 PolarHBondContact O-N 2.79Å; Y93-K97 VanDerWaalsContact OH-CE 3.25Å; Y93-K97 WeakPolarHBondContact OH-CE 3.27Å; Y93-K97 PolarHBondContact OH-NZ 2.97Å; L94-K97 PolarHBondContact O-N 3.35Å; A95-K97 VanDerWaalsContact C-N 3.3Å; A95-K97 PolarHBondContact O-N 2.96Å
98	S	92.4	Very high	94.7	Very high	52 Å²	52	36 Å²	36	36%	0.364	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-4.2	-179.3	-56.1	0	0	0	0	113.2	L94 A95 W96 L124 K128	L94-S98 PolarHBondContact O-N 3.05Å; L94-S98 PolarHBondContact O-OG 2.79Å; A95-S98 CarbonylContact O-C 3.48Å; A95-S98 WeakPolarHBondContact O-CA 3.41Å; A95-S98 PolarHBondContact O-N 2.84Å; W96-S98 PolarHBondContact O-N 2.86Å; S98-L124 VanDerWaalsContact C-CD2 3.46Å; S98-L124 WeakPolarHBondContact O-CD2 3.44Å; S98-K128 PolarHBondContact O-NZ 2.86Å
99	A	93.8	Very high	94.6	Very high	10 Å²	10	39.8 Å²	39.8	8%	0.083	20%	0.196	C	C	.	.	S	Bend	trans	-61.8	147.4	-173.7	0	0	0	0	0	112.5	I55 A95 W96 Q101 L122	I55-A99 HydrophobicContact CD1-CB 4.23Å; A95-A99 PolarHBondContact O-N 2.83Å; A95-A99 VanDerWaalsContact O-N 3.1Å; W96-A99 HydrophobicContact CE3-CB 4.31Å; W96-A99 VanDerWaalsContact O-CB 3.24Å; W96-A99 WeakPolarHBondContact O-CB 3.46Å; W96-A99 PolarHBondContact O-N 2.96Å; A99-Q101 PolarHBondContact O-N 3.29Å; A99-L122 HydrophobicContact CB-CG 4.12Å
100	D	94.5	Very high	94	Very high	43 Å²	43	38.7 Å²	38.7	23%	0.23	20%	0.201	C	C	.	.			trans	-69.3	116.5	170.1	-173.8	-77.2	0	0	0	109.5	L102 M103 S104 V123	D100-L102 VanDerWaalsContact C-N 3.27Å; D100-L102 PolarHBondContact O-N 2.86Å; D100-L102 WeakPolarHBondContact OD1-CB 3.26Å; D100-L102 PolarHBondContact OD1-N 3.42Å; D100-M103 HydrophobicContact CB-CB 4.46Å; D100-M103 HydrophobicContact CB-CE 4.12Å; D100-M103 VanDerWaalsContact CG-CE 3.42Å; D100-M103 PolarHBondContact OD1-N 3.43Å; D100-M103 WeakPolarHBondContact OD2-CE 3.44Å; D100-S104 WeakPolarHBondContact O-CA 3.45Å; D100-S104 WeakPolarHBondContact O-CB 3.39Å; D100-S104 PolarHBondContact O-N 3.29Å; D100-S104 PolarHBondContact O-OG 3.03Å; D100-V123 PolarHBondContact N-O 3.2Å
101	Q	92.7	Very high	92.9	Very high	136 Å²	136	43.2 Å²	43.2	64%	0.636	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-24.8	-173	-67.5	-173.5	-7	0	0	113.8	I55 A99	I55-Q101 HydrophobicContact CD1-CG 4.34Å; A99-Q101 PolarHBondContact O-N 3.29Å
102	L	92.8	Very high	91.4	Very high	87 Å²	87	44.7 Å²	44.7	46%	0.455	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-41.5	-177	178.4	60.6	0	0	0	111.2	D100 A192	D100-L102 VanDerWaalsContact C-N 3.27Å; D100-L102 PolarHBondContact O-N 2.86Å; D100-L102 WeakPolarHBondContact OD1-CB 3.26Å; D100-L102 PolarHBondContact OD1-N 3.42Å; L102-A192 HydrophobicContact CD2-CB 3.43Å; L102-A192 VanDerWaalsContact CD2-CB 3.43Å
103	M	95	Very high	89.8	Confident	3 Å²	3	50.5 Å²	50.5	2%	0.015	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-27.5	-177.3	-70.2	-178.6	-78.3	0	0	113.2	D100 V123 F165 T185 Q188 F189	D100-M103 HydrophobicContact CB-CB 4.46Å; D100-M103 HydrophobicContact CB-CE 4.12Å; D100-M103 VanDerWaalsContact CG-CE 3.42Å; D100-M103 PolarHBondContact OD1-N 3.43Å; D100-M103 WeakPolarHBondContact OD2-CE 3.44Å; M103-V123 HydrophobicContact CB-CB 3.86Å; M103-V123 HydrophobicContact CB-CG1 3.84Å; M103-V123 HydrophobicContact CB-CG2 3.91Å; M103-V123 HydrophobicContact CE-CG1 4.46Å; M103-V123 WeakPolarHBondContact O-CG2 3.31Å; M103-V123 HydrophobicContact SD-CG1 4.4Å; M103-F165 HydrophobicContact CE-CD1 3.33Å; M103-F165 HydrophobicContact CE-CD2 4.1Å; M103-F165 HydrophobicContact CE-CE1 3.22Å; M103-F165 HydrophobicContact CE-CE2 3.99Å; M103-F165 HydrophobicContact CE-CG 3.78Å; M103-F165 HydrophobicContact CE-CZ 3.57Å; M103-F165 HydrophobicContact SD-CD1 4.37Å; M103-F165 HydrophobicContact SD-CG 4.3Å; M103-T185 HydrophobicContact CB-CG2 4.41Å; M103-Q188 HydrophobicContact CG-CB 4Å; M103-F189 HydrophobicContact SD-CB 3.88Å; M103-F189 HydrophobicContact SD-CD2 4.16Å
104	S	96.7	Very high	88.5	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.289	C	S	.	.			trans	-74.5	137.5	174.9	-52.2	0	0	0	0	110.8	D100 N121 V123	D100-S104 WeakPolarHBondContact O-CA 3.45Å; D100-S104 WeakPolarHBondContact O-CB 3.39Å; D100-S104 PolarHBondContact O-N 3.29Å; D100-S104 PolarHBondContact O-OG 3.03Å; S104-N121 CarbonylContact C-O 3.54Å; S104-N121 VanDerWaalsContact CA-O 3.27Å; S104-N121 WeakPolarHBondContact CA-O 3.45Å; S104-N121 WeakPolarHBondContact CB-O 3.36Å; S104-V123 PolarHBondContact OG-N 3.17Å; S104-V123 PolarHBondContact OG-O 2.81Å
105	S	96.4	Very high	87.7	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	159.4	-172.5	50	0	0	0	0	112.1	K53 N121 L181	K53-S105 WeakPolarHBondContact O-CA 3.44Å; K53-S105 WeakPolarHBondContact O-CB 3.18Å; S105-N121 PolarHBondContact N-O 3.3Å; S105-N121 PolarHBondContact O-N 3.4Å; S105-L181 WeakPolarHBondContact OG-CD2 3.14Å
106	I	96.1	Very high	87.5	Confident	0 Å²	0	59 Å²	59	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	158.3	172.7	60.8	175.2	0	0	0	109.1	I52 K53 A58 I63 L108 L117 G119 A120	I52-I106 WeakPolarHBondContact CA-O 3.41Å; K53-I106 HydrophobicContact CB-CG1 4.11Å; K53-I106 PolarHBondContact N-O 3.43Å; K53-I106 PolarHBondContact O-N 3.19Å; A58-I106 HydrophobicContact CB-CD1 3.56Å; I63-I106 HydrophobicContact CD1-CD1 4.41Å; I63-I106 HydrophobicContact CD1-CG2 3.92Å; I63-I106 HydrophobicContact CG1-CG2 4.15Å; I63-I106 HydrophobicContact CG2-CG2 4.22Å; I106-L108 HydrophobicContact CD1-CD2 4.15Å; I106-L108 HydrophobicContact CD1-CG 4.49Å; I106-L117 HydrophobicContact CB-CD2 3.8Å; I106-L117 HydrophobicContact CD1-CD2 3.86Å; I106-L117 HydrophobicContact CG1-CD2 4.31Å; I106-L117 HydrophobicContact CG2-CD2 4.12Å; I106-G119 CarbonylContact C-O 3.55Å; I106-G119 WeakPolarHBondContact CA-O 3.46Å; I106-A120 HydrophobicContact CG2-CB 4.25Å
107	T	95.6	Very high	87.5	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	137	167.4	61.3	0	0	0	0	110.5	Y50 V51 I52 L117 N118 G119 I177 L181	Y50-T107 HydrophobicContact CD2-CG2 4.28Å; V51-T107 VanDerWaalsContact O-CA 3.26Å; V51-T107 WeakPolarHBondContact O-CA 3.41Å; I52-T107 HydrophobicContact CB-CG2 4.41Å; I52-T107 HydrophobicContact CG1-CG2 3.82Å; T107-L117 WeakPolarHBondContact O-CA 3.4Å; T107-N118 WeakPolarHBondContact CB-OD1 3.32Å; T107-N118 PolarHBondContact O-N 3.36Å; T107-N118 PolarHBondContact O-OD1 3.1Å; T107-N118 VanDerWaalsContact O-OD1 3.05Å; T107-N118 VanDerWaalsContact OG1-C 3.32Å; T107-N118 PolarHBondContact OG1-OD1 3.4Å; T107-G119 PolarHBondContact N-O 2.91Å; T107-G119 WeakPolarHBondContact OG1-CA 3.38Å; T107-G119 PolarHBondContact OG1-N 3.36Å; T107-I177 HydrophobicContact CG2-CG2 3.95Å; T107-I177 VanDerWaalsContact OG1-CG2 3.26Å; T107-I177 WeakPolarHBondContact OG1-CG2 3.11Å; T107-L181 HydrophobicContact CG2-CD1 4.41Å; T107-L181 HydrophobicContact CG2-CD2 3.67Å; T107-L181 HydrophobicContact CG2-CG 3.89Å
108	L	93.9	Very high	87.5	Confident	13 Å²	13	54.1 Å²	54.1	7%	0.068	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	145.3	176.8	-55	172.9	0	0	0	108.5	Y50 V51 K53 I106 S115 K116 L117	Y50-L108 CarbonylContact C-O 3.54Å; Y50-L108 WeakPolarHBondContact CA-O 3.4Å; Y50-L108 WeakPolarHBondContact CB-O 3.4Å; V51-L108 HydrophobicContact CG2-CB 4.01Å; V51-L108 PolarHBondContact N-O 2.96Å; V51-L108 PolarHBondContact O-N 3.23Å; K53-L108 HydrophobicContact CG-CD1 4.03Å; I106-L108 HydrophobicContact CD1-CD2 4.15Å; I106-L108 HydrophobicContact CD1-CG 4.49Å; L108-S115 WeakPolarHBondContact CD2-O 3.34Å; L108-K116 WeakPolarHBondContact CA-O 3.2Å; L108-L117 HydrophobicContact CD2-CD2 3.7Å; L108-L117 HydrophobicContact CD2-CG 4.18Å
109	Q	91.4	Very high	87.6	Confident	87 Å²	87	51.7 Å²	51.7	41%	0.407	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	133.7	170.1	-171.4	163.8	7.6	0	0	110.1	D112 K116	Q109-D112 HydrophobicContact CB-CB 4.07Å; Q109-D112 HydrophobicContact CG-CB 4.2Å; Q109-K116 PolarHBondContact N-O 2.83Å
110	A	81.9	Confident	87.7	Confident	44 Å²	44	51.2 Å²	51.2	36%	0.364	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-35.4	-171	0	0	0	0	0	113.4	G49 V51	G49-A110 PolarHBondContact O-N 3.35Å; G49-A110 VanDerWaalsContact O-N 3.15Å; V51-A110 HydrophobicContact CG1-CB 4.43Å
111	D	73	Confident	87.8	Confident	149 Å²	149	49.1 Å²	49.1	80%	0.797	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	11.8	-169.3	-54.8	-34.2	0	0	0	113.7
112	D	62.2	Low	88	Confident	43 Å²	43	42.8 Å²	42.8	23%	0.23	23%	0.234	C	C	.	.			trans	-104	122.8	-173.2	-177.4	17.6	0	0	0	111.7	Q109 E114 S115 K116	Q109-D112 HydrophobicContact CB-CB 4.07Å; Q109-D112 HydrophobicContact CG-CB 4.2Å; D112-E114 PolarHBondContact O-N 2.89Å; D112-E114 PolarHBondContact OD1-N 3.26Å; D112-S115 PolarHBondContact O-N 3.17Å; D112-K116 WeakPolarHBondContact OD2-CB 3.12Å; D112-K116 PolarHBondContact OD2-N 2.82Å
113	S	62.9	Low	88.1	Confident	121 Å²	121	38.6 Å²	38.6	85%	0.846	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-26.6	174.5	56.9	0	0	0	0	112.1	S115	S113-S115 VanDerWaalsContact C-N 3.34Å
114	E	69.3	Low	88.1	Confident	140 Å²	140	38.6 Å²	38.6	65%	0.654	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-5.7	177.8	-60.7	-162	162.3	0	0	113.7	R62 D112 K116	R62-E114 PolarHBondContact NH1-O 3Å; R62-E114 PolarHBondContact NH2-O 2.93Å; D112-E114 PolarHBondContact O-N 2.89Å; D112-E114 PolarHBondContact OD1-N 3.26Å; E114-K116 PolarHBondContact O-N 2.99Å
115	S	78.1	Confident	88	Confident	50 Å²	50	39.6 Å²	39.6	35%	0.35	22%	0.219	S	C	.	.			trans	48.7	57.1	-175.1	-64.4	0	0	0	0	111	R62 L108 D112 S113 L117	R62-S115 PolarHBondContact NH2-O 2.99Å; L108-S115 WeakPolarHBondContact CD2-O 3.34Å; D112-S115 PolarHBondContact O-N 3.17Å; S113-S115 VanDerWaalsContact C-N 3.34Å; S115-L117 PolarHBondContact O-N 2.61Å
116	K	90.9	Very high	87.8	Confident	128 Å²	128	40.9 Å²	40.9	56%	0.557	23%	0.227	S	C	*	.			trans	-62.1	131.6	-179.8	-176.4	174.2	-177	177.9	0	111.5	L108 Q109 D112 E114	L108-K116 WeakPolarHBondContact CA-O 3.2Å; Q109-K116 PolarHBondContact N-O 2.83Å; D112-K116 WeakPolarHBondContact OD2-CB 3.12Å; D112-K116 PolarHBondContact OD2-N 2.82Å; E114-K116 PolarHBondContact O-N 2.99Å
117	L	94.1	Very high	87.5	Confident	10 Å²	10	45.1 Å²	45.1	5%	0.052	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	131.6	172.1	-73.4	165	0	0	0	110	R62 I63 Y66 I106 T107 L108 S115	R62-L117 HydrophobicContact CB-CD1 4.07Å; R62-L117 WeakPolarHBondContact O-CD1 3.47Å; I63-L117 HydrophobicContact CG1-CD1 4.17Å; Y66-L117 HydrophobicContact CD1-CB 4.07Å; Y66-L117 HydrophobicContact CD1-CD1 4.48Å; Y66-L117 HydrophobicContact CD2-CB 3.9Å; Y66-L117 HydrophobicContact CE1-CB 4.39Å; Y66-L117 HydrophobicContact CE2-CB 4.24Å; Y66-L117 VanDerWaalsContact CE2-O 3.26Å; Y66-L117 WeakPolarHBondContact CE2-O 3.04Å; Y66-L117 HydrophobicContact CG-CB 3.82Å; Y66-L117 HydrophobicContact CG-CD1 4.17Å; I106-L117 HydrophobicContact CB-CD2 3.8Å; I106-L117 HydrophobicContact CD1-CD2 3.86Å; I106-L117 HydrophobicContact CG1-CD2 4.31Å; I106-L117 HydrophobicContact CG2-CD2 4.12Å; T107-L117 WeakPolarHBondContact O-CA 3.4Å; L108-L117 HydrophobicContact CD2-CD2 3.7Å; L108-L117 HydrophobicContact CD2-CG 4.18Å; S115-L117 PolarHBondContact O-N 2.61Å
118	N	93.8	Very high	87.4	Confident	21 Å²	21	49 Å²	49	11%	0.112	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	9.2	173.9	62	9.3	0	0	0	113.1	Y66 T107 A173 I177	Y66-N118 WeakPolarHBondContact OH-CA 3.16Å; Y66-N118 PolarHBondContact OH-O 2.74Å; Y66-N118 VanDerWaalsContact OH-O 3.11Å; T107-N118 WeakPolarHBondContact CB-OD1 3.32Å; T107-N118 PolarHBondContact O-N 3.36Å; T107-N118 PolarHBondContact O-OD1 3.1Å; T107-N118 VanDerWaalsContact O-OD1 3.05Å; T107-N118 VanDerWaalsContact OG1-C 3.32Å; T107-N118 PolarHBondContact OG1-OD1 3.4Å; N118-A173 HydrophobicContact CB-CB 4.19Å; N118-A173 WeakPolarHBondContact O-CB 3.47Å; N118-A173 PolarHBondContact O-N 2.88Å; N118-I177 HydrophobicContact CB-CD1 3.96Å
119	G	95.4	Very high	87.3	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.7	154.2	171.1	0	0	0	0	0	112.3	Y66 I106 T107 V171	Y66-G119 PolarHBondContact OH-N 2.78Å; I106-G119 CarbonylContact C-O 3.55Å; I106-G119 WeakPolarHBondContact CA-O 3.46Å; T107-G119 PolarHBondContact N-O 2.91Å; T107-G119 WeakPolarHBondContact OG1-CA 3.38Å; T107-G119 PolarHBondContact OG1-N 3.36Å; G119-V171 CarbonylContact C-O 3.59Å; G119-V171 VanDerWaalsContact CA-O 3.28Å; G119-V171 WeakPolarHBondContact CA-O 3.39Å
120	A	95.7	Very high	87.2	Confident	0 Å²	0	48 Å²	48	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	131.9	179	0	0	0	0	0	109.5	I63 Y66 F67 W96 I106 R170 V171	I63-A120 HydrophobicContact CG2-CB 4.4Å; Y66-A120 HydrophobicContact CD1-CB 4.26Å; Y66-A120 HydrophobicContact CE1-CB 4.3Å; F67-A120 HydrophobicContact CD2-CB 4.35Å; W96-A120 HydrophobicContact CH2-CB 3.94Å; W96-A120 HydrophobicContact CZ2-CB 3.82Å; I106-A120 HydrophobicContact CG2-CB 4.25Å; A120-R170 CarbonylContact O-C 3.49Å; A120-R170 VanDerWaalsContact O-CA 3.28Å; A120-R170 WeakPolarHBondContact O-CA 3.43Å; A120-R170 WeakPolarHBondContact O-CG 3.5Å; A120-V171 HydrophobicContact CB-CG2 4.24Å; A120-V171 PolarHBondContact N-O 2.84Å; A120-V171 PolarHBondContact O-N 3.46Å
121	N	96.4	Very high	87.6	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	112.1	173.8	-173.7	48.7	0	0	0	109.3	S104 S105 V123 S167 R170 L181 T185	S104-N121 CarbonylContact C-O 3.54Å; S104-N121 VanDerWaalsContact CA-O 3.27Å; S104-N121 WeakPolarHBondContact CA-O 3.45Å; S104-N121 WeakPolarHBondContact CB-O 3.36Å; S105-N121 PolarHBondContact N-O 3.3Å; S105-N121 PolarHBondContact O-N 3.4Å; N121-V123 WeakPolarHBondContact ND2-CG2 3.41Å; N121-S167 PolarHBondContact ND2-OG 3.24Å; N121-S167 VanDerWaalsContact ND2-OG 3.09Å; N121-S167 WeakPolarHBondContact OD1-CB 3.48Å; N121-R170 HydrophobicContact CB-CB 4.49Å; N121-R170 HydrophobicContact CB-CG 3.96Å; N121-R170 WeakPolarHBondContact OD1-CB 3.24Å; N121-R170 WeakPolarHBondContact OD1-CD 3.32Å; N121-R170 WeakPolarHBondContact OD1-CG 3.33Å; N121-R170 PolarHBondContact OD1-NH1 3.42Å; N121-L181 HydrophobicContact CB-CB 4.28Å; N121-L181 HydrophobicContact CB-CD1 4.42Å; N121-L181 HydrophobicContact CB-CD2 4.12Å; N121-T185 PolarHBondContact ND2-OG1 3.39Å
122	L	95.6	Very high	88.5	Confident	2 Å²	2	46.8 Å²	46.8	1%	0.01	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	126.6	171.9	174.5	163	0	0	0	109	A95 W96 A99 L124 L169	A95-L122 HydrophobicContact CB-CD1 3.77Å; W96-L122 HydrophobicContact CB-CD1 4.31Å; W96-L122 HydrophobicContact CD2-CB 4.13Å; W96-L122 HydrophobicContact CD2-CD1 3.67Å; W96-L122 HydrophobicContact CD2-CG 4.27Å; W96-L122 HydrophobicContact CE3-CB 4.06Å; W96-L122 HydrophobicContact CE3-CD1 4.12Å; W96-L122 HydrophobicContact CE3-CG 4.26Å; W96-L122 HydrophobicContact CG-CD1 3.73Å; W96-L122 HydrophobicContact CH2-CB 3.68Å; W96-L122 HydrophobicContact CZ2-CB 3.72Å; W96-L122 HydrophobicContact CZ3-CB 3.81Å; W96-L122 HydrophobicContact CZ3-CG 4.44Å; A99-L122 HydrophobicContact CB-CG 4.12Å; L122-L124 HydrophobicContact CD2-CB 4.4Å; L122-L124 HydrophobicContact CD2-CD1 3.54Å; L122-L124 HydrophobicContact CD2-CG 3.49Å; L122-L124 VanDerWaalsContact CD2-CG 3.49Å; L122-L169 HydrophobicContact CB-CB 3.99Å; L122-L169 WeakPolarHBondContact CB-O 3.48Å; L122-L169 HydrophobicContact CD1-CB 4.43Å; L122-L169 HydrophobicContact CD1-CD1 3.92Å; L122-L169 HydrophobicContact CD2-CB 4.1Å; L122-L169 HydrophobicContact CD2-CD1 3.94Å; L122-L169 HydrophobicContact CD2-CG 4.45Å; L122-L169 HydrophobicContact CG-CB 4.42Å; L122-L169 HydrophobicContact CG-CD1 4.48Å; L122-L169 PolarHBondContact N-O 3.1Å
123	V	96.6	Very high	90	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	129.1	176	-171.5	0	0	0	0	109.5	D100 M103 S104 N121 F165 I166 S167 T185	D100-V123 PolarHBondContact N-O 3.2Å; M103-V123 HydrophobicContact CB-CB 3.86Å; M103-V123 HydrophobicContact CB-CG1 3.84Å; M103-V123 HydrophobicContact CB-CG2 3.91Å; M103-V123 HydrophobicContact CE-CG1 4.46Å; M103-V123 WeakPolarHBondContact O-CG2 3.31Å; M103-V123 HydrophobicContact SD-CG1 4.4Å; S104-V123 PolarHBondContact OG-N 3.17Å; S104-V123 PolarHBondContact OG-O 2.81Å; N121-V123 WeakPolarHBondContact ND2-CG2 3.41Å; V123-F165 HydrophobicContact CG1-CB 4.01Å; V123-F165 HydrophobicContact CG1-CD1 4.28Å; V123-I166 WeakPolarHBondContact CA-O 3.31Å; V123-S167 WeakPolarHBondContact CG2-OG 3.3Å; V123-T185 HydrophobicContact CG2-CG2 3.69Å
124	L	94.6	Very high	91.5	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.016	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	152.1	175.4	-74.9	167	0	0	0	110.7	S98 L122 K128 M132 F165 I166	S98-L124 VanDerWaalsContact C-CD2 3.46Å; S98-L124 WeakPolarHBondContact O-CD2 3.44Å; L122-L124 HydrophobicContact CD2-CB 4.4Å; L122-L124 HydrophobicContact CD2-CD1 3.54Å; L122-L124 HydrophobicContact CD2-CG 3.49Å; L122-L124 VanDerWaalsContact CD2-CG 3.49Å; L124-K128 HydrophobicContact CD2-CD 4.02Å; L124-M132 HydrophobicContact CD1-CE 3.8Å; L124-M132 HydrophobicContact CD1-SD 3.88Å; L124-F165 CarbonylContact O-C 3.55Å; L124-F165 VanDerWaalsContact O-CA 3.24Å; L124-F165 WeakPolarHBondContact O-CA 3.36Å; L124-I166 HydrophobicContact CB-CD1 4.31Å; L124-I166 HydrophobicContact CB-CG1 4.07Å; L124-I166 PolarHBondContact N-O 2.83Å; L124-I166 VanDerWaalsContact N-O 3.12Å; L124-I166 VanDerWaalsContact O-CG1 3.25Å; L124-I166 WeakPolarHBondContact O-CG1 3.4Å; L124-I166 PolarHBondContact O-N 3.33Å
125	S	93.8	Very high	92.5	Very high	21 Å²	21	39.5 Å²	39.5	15%	0.147	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	139	160	177.5	0	0	0	0	109.1	S127 K128 A164	S125-S127 PolarHBondContact O-N 3.2Å; S125-S127 PolarHBondContact OG-N 3.09Å; S125-S127 PolarHBondContact OG-OG 2.89Å; S125-K128 WeakPolarHBondContact O-CB 3.24Å; S125-K128 PolarHBondContact O-N 3.5Å; S125-A164 CarbonylContact C-O 3.59Å; S125-A164 WeakPolarHBondContact CA-O 3.25Å
126	T	92.7	Very high	93.1	Very high	27 Å²	27	39.6 Å²	39.6	17%	0.166	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-56.6	-30	171.3	54	0	0	0	0	112.1	K128 L129 A164 I166	T126-K128 PolarHBondContact O-N 2.7Å; T126-L129 HydrophobicContact CG2-CD1 4.49Å; T126-L129 VanDerWaalsContact O-CB 3.31Å; T126-L129 WeakPolarHBondContact O-CB 3.4Å; T126-L129 WeakPolarHBondContact O-CG 3.29Å; T126-L129 PolarHBondContact O-N 3.46Å; T126-L129 VanDerWaalsContact O-N 3.1Å; T126-A164 HydrophobicContact CG2-CB 3.91Å; T126-A164 PolarHBondContact N-O 2.82Å; T126-A164 VanDerWaalsContact OG1-CB 3.24Å; T126-A164 WeakPolarHBondContact OG1-CB 3.24Å; T126-A164 PolarHBondContact OG1-O 3.33Å; T126-I166 HydrophobicContact CG2-CG2 3.69Å
127	S	90.5	Very high	93.1	Very high	89 Å²	89	40.3 Å²	40.3	62%	0.622	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-62.4	-22.2	176	69.5	0	0	0	0	113.5	S125	S125-S127 PolarHBondContact O-N 3.2Å; S125-S127 PolarHBondContact OG-N 3.09Å; S125-S127 PolarHBondContact OG-OG 2.89Å
128	K	91.9	Very high	93.1	Very high	80 Å²	80	40.2 Å²	40.2	35%	0.348	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-85.3	-9	178.9	-68.3	-179.6	169	176.6	0	113.2	S98 L124 S125 T126 G130 D131 M132	S98-K128 PolarHBondContact O-NZ 2.86Å; L124-K128 HydrophobicContact CD2-CD 4.02Å; S125-K128 WeakPolarHBondContact O-CB 3.24Å; S125-K128 PolarHBondContact O-N 3.5Å; T126-K128 PolarHBondContact O-N 2.7Å; K128-G130 VanDerWaalsContact C-N 3.32Å; K128-G130 PolarHBondContact O-N 2.74Å; K128-D131 PolarHBondContact O-N 3.01Å; K128-M132 WeakPolarHBondContact O-CG 3.38Å
129	L	91.9	Very high	93.1	Very high	7 Å²	7	42 Å²	42	4%	0.037	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-61.2	-39.4	-176.1	-75	170.1	0	0	0	112.4	T126 D131 M132 L142 Y149 I166	T126-L129 HydrophobicContact CG2-CD1 4.49Å; T126-L129 VanDerWaalsContact O-CB 3.31Å; T126-L129 WeakPolarHBondContact O-CB 3.4Å; T126-L129 WeakPolarHBondContact O-CG 3.29Å; T126-L129 PolarHBondContact O-N 3.46Å; T126-L129 VanDerWaalsContact O-N 3.1Å; L129-D131 VanDerWaalsContact C-N 3.28Å; L129-D131 PolarHBondContact O-N 3.46Å; L129-M132 HydrophobicContact CD2-SD 3.93Å; L129-M132 PolarHBondContact O-N 3.4Å; L129-L142 HydrophobicContact CD2-CD2 4.05Å; L129-Y149 HydrophobicContact CD1-CD2 3.73Å; L129-Y149 HydrophobicContact CD1-CE2 4.06Å; L129-I166 HydrophobicContact CD1-CD1 4.1Å; L129-I166 HydrophobicContact CD2-CD1 3.56Å; L129-I166 HydrophobicContact CG-CD1 4.03Å
130	G	89.2	Confident	93	Very high	74 Å²	74	45 Å²	45	76%	0.763	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-69	-23	179.4	0	0	0	0	0	114.4	K128	K128-G130 VanDerWaalsContact C-N 3.32Å; K128-G130 PolarHBondContact O-N 2.74Å
131	D	90.1	Very high	92.8	Very high	142 Å²	142	46.2 Å²	46.2	76%	0.759	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-93.8	-1.4	-177.8	-58.8	-35.5	0	0	0	112.7	K128 L129	K128-D131 PolarHBondContact O-N 3.01Å; L129-D131 VanDerWaalsContact C-N 3.28Å; L129-D131 PolarHBondContact O-N 3.46Å
132	M	92.9	Very high	92.7	Very high	25 Å²	25	47.1 Å²	47.1	12%	0.123	28%	0.281	C	S	.	.	S	Bend	trans	-72.3	137.8	-177.2	-66.2	-174.5	76.7	0	0	111.3	H91 A95 L124 K128 L129 A134 L142	H91-M132 WeakPolarHBondContact CE1-CE 3.34Å; A95-M132 HydrophobicContact CB-CE 3.37Å; L124-M132 HydrophobicContact CD1-CE 3.8Å; L124-M132 HydrophobicContact CD1-SD 3.88Å; K128-M132 WeakPolarHBondContact O-CG 3.38Å; L129-M132 HydrophobicContact CD2-SD 3.93Å; L129-M132 PolarHBondContact O-N 3.4Å; M132-A134 PolarHBondContact O-N 2.91Å; M132-A134 VanDerWaalsContact O-N 3.08Å; M132-L142 HydrophobicContact CB-CD1 3.74Å; M132-L142 HydrophobicContact SD-CD1 4.4Å; M132-L142 HydrophobicContact SD-CD2 4.13Å
133	Y	94.1	Very high	92.7	Very high	103 Å²	103	51.1 Å²	51.1	40%	0.404	30%	0.302	S	S	.	.			trans	-61.5	113.5	167.1	175	-100.6	0	0	0	110.1	T90 H91 L94 P135	T90-Y133 HydrophobicContact CG2-CD1 3.79Å; T90-Y133 HydrophobicContact CG2-CE1 3.48Å; T90-Y133 VanDerWaalsContact CG2-CE1 3.48Å; H91-Y133 HydrophobicContact CB-CD1 4.41Å; H91-Y133 PolarHBondContact ND1-O 3.44Å; L94-Y133 HydrophobicContact CD1-CD1 4Å; L94-Y133 HydrophobicContact CD1-CD2 4.35Å; L94-Y133 HydrophobicContact CD1-CG 3.66Å; Y133-P135 HydrophobicContact CD1-CG 4.33Å; Y133-P135 HydrophobicContact CE1-CG 3.54Å; Y133-P135 HydrophobicContact CE2-CG 4.49Å
134	A	93.4	Very high	92.6	Very high	21 Å²	21	51.8 Å²	51.8	17%	0.174	31%	0.305	C	S	.	.			trans	-143.3	79.5	-171.5	0	0	0	0	0	111.2	M132 I138 T139 L142	M132-A134 PolarHBondContact O-N 2.91Å; M132-A134 VanDerWaalsContact O-N 3.08Å; A134-I138 HydrophobicContact CB-CB 4.17Å; A134-I138 HydrophobicContact CB-CG2 3.67Å; A134-T139 PolarHBondContact O-OG1 3.3Å; A134-L142 HydrophobicContact CB-CD1 3.36Å; A134-L142 HydrophobicContact CB-CG 4.2Å
135	P	91.8	Very high	92.5	Very high	27 Å²	27	51.9 Å²	51.9	18%	0.175	31%	0.306	C	S	.	.			trans	-77.4	147.8	176.7	32.6	-38.8	0	0	0	112.1	M87 Y133 R137 I138	M87-P135 HydrophobicContact CB-CG 3.85Å; M87-P135 HydrophobicContact CG-CG 3.97Å; M87-P135 HydrophobicContact SD-CB 4.2Å; M87-P135 HydrophobicContact SD-CG 4.16Å; Y133-P135 HydrophobicContact CD1-CG 4.33Å; Y133-P135 HydrophobicContact CE1-CG 3.54Å; Y133-P135 HydrophobicContact CE2-CG 4.49Å; P135-R137 PolarHBondContact O-N 2.91Å; P135-I138 HydrophobicContact CG-CD1 4.23Å; P135-I138 WeakPolarHBondContact O-CB 3.33Å; P135-I138 PolarHBondContact O-N 3.41Å
136	G	90.6	Very high	92.6	Very high	51 Å²	51	53.2 Å²	53.2	53%	0.526	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	-128.2	170	0	0	0	0	0	113.2	I138 T139	G136-I138 PolarHBondContact O-N 2.93Å; G136-I138 VanDerWaalsContact O-N 3.16Å; G136-T139 WeakPolarHBondContact O-CB 3.33Å; G136-T139 PolarHBondContact O-N 2.96Å; G136-T139 VanDerWaalsContact O-N 3.08Å; G136-T139 PolarHBondContact O-OG1 3.4Å; G136-T139 VanDerWaalsContact O-OG1 3.12Å
137	R	90.8	Very high	92.7	Very high	144 Å²	144	58.5 Å²	58.5	54%	0.543	33%	0.334	S	S	.	.	H	α-helix	trans	-62.2	-22.3	-178.5	-72.7	-176.5	174.3	-111.2	1.6	113.7	L81 I83 P135 T139 S140 V141	L81-R137 WeakPolarHBondContact O-CD 3.34Å; L81-R137 PolarHBondContact O-NE 3.13Å; I83-R137 HydrophobicContact CG1-CB 4.12Å; P135-R137 PolarHBondContact O-N 2.91Å; R137-T139 VanDerWaalsContact C-N 3.27Å; R137-T139 PolarHBondContact O-N 3.23Å; R137-S140 PolarHBondContact O-N 2.84Å; R137-V141 WeakPolarHBondContact O-CG2 3.48Å; R137-V141 PolarHBondContact O-N 3.08Å; R137-V141 VanDerWaalsContact O-N 3.08Å
138	I	92.7	Very high	92.9	Very high	7 Å²	7	54.2 Å²	54.2	4%	0.036	30%	0.304	C	S	.	.	H	α-helix	trans	-64.1	-36.5	176.2	-56.5	172.5	0	0	0	110.1	I83 M87 H91 A134 P135 G136 S140 V141 L142	I83-I138 HydrophobicContact CD1-CG1 4.02Å; I83-I138 HydrophobicContact CG2-CD1 3.86Å; I83-I138 HydrophobicContact CG2-CG1 3.78Å; M87-I138 HydrophobicContact CB-CD1 4.36Å; H91-I138 HydrophobicContact CB-CD1 3.7Å; A134-I138 HydrophobicContact CB-CB 4.17Å; A134-I138 HydrophobicContact CB-CG2 3.67Å; P135-I138 HydrophobicContact CG-CD1 4.23Å; P135-I138 WeakPolarHBondContact O-CB 3.33Å; P135-I138 PolarHBondContact O-N 3.41Å; G136-I138 PolarHBondContact O-N 2.93Å; G136-I138 VanDerWaalsContact O-N 3.16Å; I138-S140 VanDerWaalsContact C-N 3.33Å; I138-S140 PolarHBondContact O-N 3.06Å; I138-V141 PolarHBondContact O-N 3.42Å; I138-L142 HydrophobicContact CG2-CG 4.46Å; I138-L142 WeakPolarHBondContact O-CG 3.48Å; I138-L142 PolarHBondContact O-N 2.92Å
139	T	94.6	Very high	93	Very high	60 Å²	60	50.6 Å²	50.6	37%	0.368	29%	0.288	S	S	.	.	H	α-helix	trans	-57.6	-48.2	174.7	-38.8	0	0	0	0	110.6	A134 G136 R137 V141 L142 D143	A134-T139 PolarHBondContact O-OG1 3.3Å; G136-T139 WeakPolarHBondContact O-CB 3.33Å; G136-T139 PolarHBondContact O-N 2.96Å; G136-T139 VanDerWaalsContact O-N 3.08Å; G136-T139 PolarHBondContact O-OG1 3.4Å; G136-T139 VanDerWaalsContact O-OG1 3.12Å; R137-T139 VanDerWaalsContact C-N 3.27Å; R137-T139 PolarHBondContact O-N 3.23Å; T139-V141 VanDerWaalsContact C-N 3.33Å; T139-V141 PolarHBondContact O-N 2.9Å; T139-L142 PolarHBondContact O-N 2.85Å; T139-L142 VanDerWaalsContact O-N 3.14Å; T139-D143 PolarHBondContact O-N 2.88Å
140	S	93.3	Very high	93.1	Very high	63 Å²	63	54.9 Å²	54.9	44%	0.441	31%	0.308	S	S	.	.	H	α-helix	trans	-63.8	-38	-179	-49.8	0	0	0	0	112.3	R137 I138 F144	R137-S140 PolarHBondContact O-N 2.84Å; I138-S140 VanDerWaalsContact C-N 3.33Å; I138-S140 PolarHBondContact O-N 3.06Å; S140-F144 WeakPolarHBondContact O-CB 3.4Å; S140-F144 PolarHBondContact O-N 3.11Å
141	V	92.3	Very high	93.3	Very high	24 Å²	24	56.8 Å²	56.8	15%	0.145	29%	0.293	C	S	.	.	H	α-helix	trans	-64.3	-44.1	173.8	176.1	0	0	0	0	110.9	L81 R137 I138 T139 F144 V145 W234 M237	L81-V141 HydrophobicContact CD1-CG2 3.28Å; R137-V141 WeakPolarHBondContact O-CG2 3.48Å; R137-V141 PolarHBondContact O-N 3.08Å; R137-V141 VanDerWaalsContact O-N 3.08Å; I138-V141 PolarHBondContact O-N 3.42Å; T139-V141 VanDerWaalsContact C-N 3.33Å; T139-V141 PolarHBondContact O-N 2.9Å; V141-F144 PolarHBondContact O-N 2.57Å; V141-V145 HydrophobicContact CG1-CG1 4.43Å; V141-V145 WeakPolarHBondContact O-CG2 3.36Å; V141-V145 PolarHBondContact O-N 3.15Å; V141-W234 HydrophobicContact CG1-CH2 4.18Å; V141-W234 HydrophobicContact CG1-CZ3 4.38Å; V141-M237 HydrophobicContact CB-CE 4.49Å; V141-M237 HydrophobicContact CG2-CE 3.83Å
142	L	93.7	Very high	93.4	Very high	20 Å²	20	50.1 Å²	50.1	11%	0.105	26%	0.257	C	S	.	.	H	α-helix	trans	-63.6	-42.7	177.8	-73.4	-170.1	0	0	0	112.3	L129 M132 A134 I138 T139 F144 V145 T146	L129-L142 HydrophobicContact CD2-CD2 4.05Å; M132-L142 HydrophobicContact CB-CD1 3.74Å; M132-L142 HydrophobicContact SD-CD1 4.4Å; M132-L142 HydrophobicContact SD-CD2 4.13Å; A134-L142 HydrophobicContact CB-CD1 3.36Å; A134-L142 HydrophobicContact CB-CG 4.2Å; I138-L142 HydrophobicContact CG2-CG 4.46Å; I138-L142 WeakPolarHBondContact O-CG 3.48Å; I138-L142 PolarHBondContact O-N 2.92Å; T139-L142 PolarHBondContact O-N 2.85Å; T139-L142 VanDerWaalsContact O-N 3.14Å; L142-F144 VanDerWaalsContact C-N 3.32Å; L142-F144 PolarHBondContact O-N 2.93Å; L142-V145 HydrophobicContact CD2-CG2 4.34Å; L142-V145 WeakPolarHBondContact O-CG2 3.33Å; L142-V145 PolarHBondContact O-N 3.18Å; L142-T146 WeakPolarHBondContact O-CB 3.49Å; L142-T146 PolarHBondContact O-N 3.5Å; L142-T146 PolarHBondContact O-OG1 3.43Å
143	D	94.6	Very high	93.5	Very high	85 Å²	85	52.6 Å²	52.6	46%	0.455	27%	0.267	S	S	.	.	H	α-helix	trans	-60.5	-44.2	175.6	-73	-19.2	0	0	0	111.3	T139 K147	T139-D143 PolarHBondContact O-N 2.88Å; D143-K147 WeakPolarHBondContact O-CB 3.27Å; D143-K147 VanDerWaalsContact O-CG 3.3Å; D143-K147 WeakPolarHBondContact O-CG 3.47Å; D143-K147 PolarHBondContact O-N 2.86Å
144	F	94.4	Very high	93.3	Very high	14 Å²	14	48.3 Å²	48.3	6%	0.061	25%	0.252	C	S	.	.	H	α-helix	trans	-61	-54	176.4	161.7	-101	0	0	0	111.9	S140 V141 L142 T146 K147 C148 P231 D233 W234 L236 M237	S140-F144 WeakPolarHBondContact O-CB 3.4Å; S140-F144 PolarHBondContact O-N 3.11Å; V141-F144 PolarHBondContact O-N 2.57Å; L142-F144 VanDerWaalsContact C-N 3.32Å; L142-F144 PolarHBondContact O-N 2.93Å; F144-T146 VanDerWaalsContact C-N 3.29Å; F144-T146 PolarHBondContact O-N 3.21Å; F144-K147 PolarHBondContact O-N 3.47Å; F144-C148 WeakPolarHBondContact O-CB 3.17Å; F144-C148 PolarHBondContact O-N 3.22Å; F144-P231 WeakPolarHBondContact CE2-O 3.46Å; F144-D233 WeakPolarHBondContact CE2-O 3.15Å; F144-W234 HydrophobicContact CD1-CE3 4.48Å; F144-W234 HydrophobicContact CD1-CH2 4.26Å; F144-W234 HydrophobicContact CD1-CZ2 4.43Å; F144-W234 HydrophobicContact CD1-CZ3 4.29Å; F144-W234 AromaticContact CE1-CD2 3.67Å; F144-W234 HydrophobicContact CE1-CD2 3.67Å; F144-W234 AromaticContact CE1-CE2 3.58Å; F144-W234 AromaticContact CE1-CE3 3.88Å; F144-W234 HydrophobicContact CE1-CE3 3.88Å; F144-W234 HydrophobicContact CE1-CG 4.24Å; F144-W234 AromaticContact CE1-CH2 3.94Å; F144-W234 HydrophobicContact CE1-CH2 3.94Å; F144-W234 AromaticContact CE1-CZ2 3.72Å; F144-W234 HydrophobicContact CE1-CZ2 3.72Å; F144-W234 HydrophobicContact CE1-CZ3 4.02Å; F144-W234 HydrophobicContact CZ-CD2 4.09Å; F144-W234 HydrophobicContact CZ-CG 4.17Å; F144-L236 HydrophobicContact CD2-CB 4.41Å; F144-L236 HydrophobicContact CE2-CB 4.36Å; F144-L236 HydrophobicContact CE2-CD1 4.27Å; F144-M237 HydrophobicContact CB-CG 3.98Å; F144-M237 HydrophobicContact CB-SD 3.49Å; F144-M237 WeakPolarHBondContact CB-SD 3.46Å; F144-M237 HydrophobicContact CD1-CG 3.66Å; F144-M237 HydrophobicContact CD1-SD 4.33Å; F144-M237 HydrophobicContact CD2-CG 3.96Å; F144-M237 HydrophobicContact CD2-SD 4.24Å; F144-M237 HydrophobicContact CE1-CG 4.13Å; F144-M237 HydrophobicContact CE2-CG 4.38Å; F144-M237 HydrophobicContact CG-CG 3.57Å; F144-M237 HydrophobicContact CG-SD 3.77Å; F144-M237 HydrophobicContact CZ-CG 4.47Å
145	V	94.1	Very high	92.8	Very high	5 Å²	5	55.6 Å²	55.6	3%	0.03	29%	0.288	C	S	.	.	H	α-helix	trans	-66.9	-33.4	-178	-59.5	0	0	0	0	111.6	V141 L142 C148 Y149 W234	V141-V145 HydrophobicContact CG1-CG1 4.43Å; V141-V145 WeakPolarHBondContact O-CG2 3.36Å; V141-V145 PolarHBondContact O-N 3.15Å; L142-V145 HydrophobicContact CD2-CG2 4.34Å; L142-V145 WeakPolarHBondContact O-CG2 3.33Å; L142-V145 PolarHBondContact O-N 3.18Å; V145-C148 WeakPolarHBondContact O-CB 3.29Å; V145-C148 PolarHBondContact O-N 2.74Å; V145-Y149 HydrophobicContact CB-CD2 4.26Å; V145-Y149 HydrophobicContact CB-CE2 3.7Å; V145-Y149 HydrophobicContact CG2-CE2 3.96Å; V145-Y149 WeakPolarHBondContact O-CD2 3.26Å; V145-Y149 PolarHBondContact O-N 2.95Å; V145-W234 HydrophobicContact CG1-CH2 4.08Å; V145-W234 HydrophobicContact CG1-CZ2 4.07Å
146	T	94.7	Very high	92	Very high	49 Å²	49	57.5 Å²	57.5	30%	0.301	30%	0.299	S	S	.	.	H	α-helix	trans	-62.8	-49.5	176.1	-59.7	0	0	0	0	110.6	L142 F144 C148 Y149 E150	L142-T146 WeakPolarHBondContact O-CB 3.49Å; L142-T146 PolarHBondContact O-N 3.5Å; L142-T146 PolarHBondContact O-OG1 3.43Å; F144-T146 VanDerWaalsContact C-N 3.29Å; F144-T146 PolarHBondContact O-N 3.21Å; T146-C148 VanDerWaalsContact C-N 3.3Å; T146-C148 PolarHBondContact O-N 3.35Å; T146-Y149 PolarHBondContact O-N 2.9Å; T146-E150 HydrophobicContact CG2-CG 4.47Å; T146-E150 WeakPolarHBondContact O-CB 3.18Å; T146-E150 VanDerWaalsContact O-CG 3.31Å; T146-E150 WeakPolarHBondContact O-CG 3.47Å; T146-E150 PolarHBondContact O-N 2.72Å
147	K	94.6	Very high	91	Very high	138 Å²	138	60 Å²	60	60%	0.6	31%	0.306	S	S	*	.	H	α-helix	trans	-59.4	-41.6	175.1	-72.3	170.1	-176	172	0	112	D143 F144 W151	D143-K147 WeakPolarHBondContact O-CB 3.27Å; D143-K147 VanDerWaalsContact O-CG 3.3Å; D143-K147 WeakPolarHBondContact O-CG 3.47Å; D143-K147 PolarHBondContact O-N 2.86Å; F144-K147 PolarHBondContact O-N 3.47Å; K147-W151 WeakPolarHBondContact O-CB 3.11Å; K147-W151 PolarHBondContact O-N 3.18Å
148	C	94.9	Very high	89.8	Confident	0 Å²	0	59 Å²	59	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-60.1	-49.4	174.9	168.5	0	0	0	0	112	F144 V145 T146 E150 W151 A152 W202 C232	F144-C148 WeakPolarHBondContact O-CB 3.17Å; F144-C148 PolarHBondContact O-N 3.22Å; V145-C148 WeakPolarHBondContact O-CB 3.29Å; V145-C148 PolarHBondContact O-N 2.74Å; T146-C148 VanDerWaalsContact C-N 3.3Å; T146-C148 PolarHBondContact O-N 3.35Å; C148-E150 PolarHBondContact O-N 3.4Å; C148-W151 PolarHBondContact O-N 3.36Å; C148-A152 WeakPolarHBondContact O-CB 3.45Å; C148-A152 PolarHBondContact O-N 2.78Å; C148-W202 VanDerWaalsContact SG-CZ2 3.58Å; C148-C232 WeakPolarHBondContact CA-SG 3.32Å; C148-C232 HydrophobicContact CB-CB 3.95Å; C148-C232 WeakPolarHBondContact CB-SG 3.41Å; C148-C232 VanDerWaalsContact SG-CA 3.53Å; C148-C232 WeakPolarHBondContact SG-CB 3.28Å; C148-C232 CovalentContact SG-SG 2.03Å; C148-C232 PolarHBondContact SG-SG 3.18Å
149	Y	94.9	Very high	88.7	Confident	3 Å²	3	61 Å²	61	1%	0.012	33%	0.329	C	S	.	.	H	α-helix	trans	-68	-33.4	-178.7	-63.5	-42	0	0	0	113.5	L129 V145 T146 A152 K153 I166 T168 Y200 W202 L249	L129-Y149 HydrophobicContact CD1-CD2 3.73Å; L129-Y149 HydrophobicContact CD1-CE2 4.06Å; V145-Y149 HydrophobicContact CB-CD2 4.26Å; V145-Y149 HydrophobicContact CB-CE2 3.7Å; V145-Y149 HydrophobicContact CG2-CE2 3.96Å; V145-Y149 WeakPolarHBondContact O-CD2 3.26Å; V145-Y149 PolarHBondContact O-N 2.95Å; T146-Y149 PolarHBondContact O-N 2.9Å; Y149-A152 PolarHBondContact O-N 3.22Å; Y149-K153 WeakPolarHBondContact O-CG 3.22Å; Y149-K153 PolarHBondContact O-N 3.12Å; Y149-I166 HydrophobicContact CD1-CG2 4.17Å; Y149-I166 HydrophobicContact CD2-CG2 3.88Å; Y149-I166 HydrophobicContact CE1-CG2 3.88Å; Y149-I166 HydrophobicContact CE2-CB 4.39Å; Y149-I166 HydrophobicContact CE2-CD1 4.11Å; Y149-I166 HydrophobicContact CE2-CG2 3.56Å; Y149-I166 HydrophobicContact CG-CG2 4.19Å; Y149-T168 WeakPolarHBondContact OH-CB 3.27Å; Y149-Y200 HydrophobicContact CD1-CD1 4.5Å; Y149-Y200 AromaticContact CD1-CD2 3.53Å; Y149-Y200 HydrophobicContact CD1-CD2 3.53Å; Y149-Y200 AromaticContact CD1-CE2 3.87Å; Y149-Y200 HydrophobicContact CD1-CE2 3.87Å; Y149-Y200 AromaticContact CD1-CG 3.87Å; Y149-Y200 HydrophobicContact CD1-CG 3.87Å; Y149-Y200 HydrophobicContact CE1-CD2 4.11Å; Y149-Y200 HydrophobicContact CE1-CG 4.13Å; Y149-Y200 HydrophobicContact CG-CD2 4.05Å; Y149-Y200 HydrophobicContact CG-CE2 4.16Å; Y149-Y200 PolarHBondContact O-OH 3.35Å; Y149-Y200 VanDerWaalsContact O-OH 3.13Å; Y149-W202 AromaticContact CE1-NE1 3.66Å; Y149-W202 AromaticContact CZ-NE1 3.66Å; Y149-W202 PolarHBondContact OH-NE1 2.84Å; Y149-L249 HydrophobicContact CD1-CD1 4.36Å; Y149-L249 HydrophobicContact CD1-CD2 4.39Å; Y149-L249 HydrophobicContact CE1-CD1 3.85Å
150	E	93.2	Very high	87.5	Confident	97 Å²	97	64.7 Å²	64.7	45%	0.453	35%	0.354	S	S	.	.	H	α-helix	trans	-64.4	-46.6	173	-76	-62.5	128.7	0	0	111.5	T146 C148 A152 K153	T146-E150 HydrophobicContact CG2-CG 4.47Å; T146-E150 WeakPolarHBondContact O-CB 3.18Å; T146-E150 VanDerWaalsContact O-CG 3.31Å; T146-E150 WeakPolarHBondContact O-CG 3.47Å; T146-E150 PolarHBondContact O-N 2.72Å; C148-E150 PolarHBondContact O-N 3.4Å; E150-A152 VanDerWaalsContact C-N 3.34Å; E150-K153 VanDerWaalsContact CD-CE 3.44Å; E150-K153 WeakPolarHBondContact O-CB 3.34Å; E150-K153 VanDerWaalsContact O-CG 3.25Å; E150-K153 WeakPolarHBondContact O-CG 3.28Å; E150-K153 PolarHBondContact O-N 3.44Å; E150-K153 WeakPolarHBondContact OE1-CE 3.39Å; E150-K153 IonicContact OE1-NZ 2.74Å; E150-K153 PolarHBondContact OE1-NZ 3.24Å; E150-K153 VanDerWaalsContact OE2-CE 3.27Å; E150-K153 WeakPolarHBondContact OE2-CE 3.26Å; E150-K153 IonicContact OE2-NZ 2.61Å; E150-K153 PolarHBondContact OE2-NZ 3.18Å
151	W	93.2	Very high	86.4	Confident	114 Å²	114	65.2 Å²	65.2	43%	0.432	36%	0.358	S	S	.	.	H	α-helix	trans	-66.1	-38.3	174.8	175.6	86.3	0	0	0	112.4	K147 C148 K153 V220 I221 P231	K147-W151 WeakPolarHBondContact O-CB 3.11Å; K147-W151 PolarHBondContact O-N 3.18Å; C148-W151 PolarHBondContact O-N 3.36Å; W151-K153 PolarHBondContact O-N 3.4Å; W151-V220 HydrophobicContact CZ3-CG1 4.06Å; W151-I221 HydrophobicContact CH2-CB 4.38Å; W151-I221 HydrophobicContact CH2-CD1 4.5Å; W151-I221 HydrophobicContact CH2-CG1 4.42Å; W151-I221 HydrophobicContact CZ3-CB 4.17Å; W151-I221 HydrophobicContact CZ3-CG2 4.02Å; W151-P231 HydrophobicContact CB-CG 3.5Å; W151-P231 HydrophobicContact CD2-CG 3.51Å; W151-P231 HydrophobicContact CE3-CG 3.9Å; W151-P231 HydrophobicContact CG-CG 3.32Å
152	A	93.7	Very high	85.7	Confident	2 Å²	2	66 Å²	66	2%	0.017	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	4.8	-178.2	0	0	0	0	0	113.6	C148 Y149 E150 Y200 V220 L249 R251	C148-A152 WeakPolarHBondContact O-CB 3.45Å; C148-A152 PolarHBondContact O-N 2.78Å; Y149-A152 PolarHBondContact O-N 3.22Å; E150-A152 VanDerWaalsContact C-N 3.34Å; A152-Y200 HydrophobicContact CB-CE1 3.93Å; A152-Y200 PolarHBondContact O-OH 3.07Å; A152-V220 HydrophobicContact CB-CG1 3.97Å; A152-L249 HydrophobicContact CB-CD2 3.51Å; A152-R251 PolarHBondContact O-NH1 2.84Å
153	K	93	Very high	85.5	Confident	77 Å²	77	66.9 Å²	66.9	34%	0.335	37%	0.372	S	S	.	.			trans	-57	144.1	179.2	-75.3	-177.4	171.8	168.5	0	111.5	Y149 E150 W151 Y198 Y200 R251	Y149-K153 WeakPolarHBondContact O-CG 3.22Å; Y149-K153 PolarHBondContact O-N 3.12Å; E150-K153 VanDerWaalsContact CD-CE 3.44Å; E150-K153 WeakPolarHBondContact O-CB 3.34Å; E150-K153 VanDerWaalsContact O-CG 3.25Å; E150-K153 WeakPolarHBondContact O-CG 3.28Å; E150-K153 PolarHBondContact O-N 3.44Å; E150-K153 WeakPolarHBondContact OE1-CE 3.39Å; E150-K153 IonicContact OE1-NZ 2.74Å; E150-K153 PolarHBondContact OE1-NZ 3.24Å; E150-K153 VanDerWaalsContact OE2-CE 3.27Å; E150-K153 WeakPolarHBondContact OE2-CE 3.26Å; E150-K153 IonicContact OE2-NZ 2.61Å; E150-K153 PolarHBondContact OE2-NZ 3.18Å; W151-K153 PolarHBondContact O-N 3.4Å; K153-Y198 WeakPolarHBondContact CE-OH 3.41Å; K153-Y198 WeakPolarHBondContact CG-OH 3.42Å; K153-Y200 VanDerWaalsContact CA-OH 3.3Å; K153-Y200 WeakPolarHBondContact CA-OH 3.45Å; K153-Y200 PolarHBondContact N-OH 3.46Å; K153-R251 PolarHBondContact O-NH1 2.89Å
154	P	91	Very high	85.4	Confident	13 Å²	13	63.1 Å²	63.1	8%	0.084	35%	0.352	C	S	.	.			trans	-65.8	140	175.3	25.9	-31	0	0	0	110.4	T156 Y198 I253	P154-T156 HydrophobicContact CB-CG2 4.44Å; P154-T156 PolarHBondContact O-N 3.19Å; P154-Y198 HydrophobicContact CG-CD1 3.52Å; P154-Y198 HydrophobicContact CG-CE1 3.81Å; P154-Y198 HydrophobicContact CG-CG 4.02Å; P154-I253 HydrophobicContact CB-CD1 3.67Å; P154-I253 HydrophobicContact CB-CG1 4.4Å; P154-I253 HydrophobicContact CG-CD1 4.38Å
155	N	83.5	Confident	85.5	Confident	175 Å²	175	63.3 Å²	63.3	94%	0.936	35%	0.353	S	S	*	.	S	Bend	trans	-72.4	23	176.3	-66.9	-22.6	0	0	0	113.1
156	T	74.8	Confident	85.6	Confident	66 Å²	66	63.2 Å²	63.2	41%	0.405	35%	0.352	S	S	.	.	S	Bend	trans	-82.1	148.4	176.5	48.8	0	0	0	0	109.8	P154	P154-T156 HydrophobicContact CB-CG2 4.44Å; P154-T156 PolarHBondContact O-N 3.19Å
157	P	69.2	Low	85.6	Confident	104 Å²	104	60.9 Å²	60.9	68%	0.675	34%	0.338	S	S	*	.			trans	-50.1	135	175.2	-25.8	33.5	0	0	0	110.7	I159	P157-I159 PolarHBondContact O-N 3.35Å
158	P	65.8	Low	84.7	Confident	123 Å²	123	56.4 Å²	56.4	80%	0.799	32%	0.323	S	S	*	.			trans	-61.6	114.8	179.9	21.9	-29.9	0	0	0	109.3
159	I	69.7	Low	84.1	Confident	49 Å²	49	57.5 Å²	57.5	25%	0.251	33%	0.329	S	S	.	.			trans	-91.8	118.3	173.3	-68.8	157.8	0	0	0	106.4	P157 S161 S162	P157-I159 PolarHBondContact O-N 3.35Å; I159-S161 PolarHBondContact O-N 3.42Å; I159-S162 VanDerWaalsContact O-CB 3.3Å; I159-S162 WeakPolarHBondContact O-CB 3.14Å; I159-S162 PolarHBondContact O-N 2.73Å; I159-S162 PolarHBondContact O-OG 3.13Å
160	P	69.1	Low	84	Confident	137 Å²	137	58.7 Å²	58.7	89%	0.89	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-29.7	-172.9	-28.4	35.1	0	0	0	114.6
161	S	71.2	Confident	83.9	Confident	75 Å²	75	54.6 Å²	54.6	52%	0.524	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-7.1	177.8	67	0	0	0	0	114.1	I159 T194	I159-S161 PolarHBondContact O-N 3.42Å; S161-T194 PolarHBondContact O-OG1 2.77Å; S161-T194 VanDerWaalsContact O-OG1 3.13Å; S161-T194 PolarHBondContact OG-OG1 2.6Å
162	S	76.6	Confident	83.9	Confident	41 Å²	41	50.7 Å²	50.7	29%	0.287	31%	0.305	S	S	.	.			trans	-68.5	143.6	-178.5	66.8	0	0	0	0	111.1	I159	I159-S162 VanDerWaalsContact O-CB 3.3Å; I159-S162 WeakPolarHBondContact O-CB 3.14Å; I159-S162 PolarHBondContact O-N 2.73Å; I159-S162 PolarHBondContact O-OG 3.13Å
163	S	88.4	Confident	83.8	Confident	37 Å²	37	53.8 Å²	53.8	26%	0.259	33%	0.33	S	S	.	.			trans	-130.7	146.6	-176	37.3	0	0	0	0	109.5	F165 S197 Y198	S163-F165 VanDerWaalsContact OG-CE2 3.3Å; S163-F165 WeakPolarHBondContact OG-CE2 3.39Å; S163-S197 PolarHBondContact N-OG 2.65Å; S163-S197 CarbonylContact O-C 3.52Å; S163-S197 WeakPolarHBondContact O-CA 3.4Å; S163-S197 WeakPolarHBondContact O-CB 3.49Å; S163-S197 PolarHBondContact O-OG 3.44Å; S163-S197 PolarHBondContact OG-OG 2.76Å; S163-Y198 PolarHBondContact O-N 3.36Å
164	A	94.2	Very high	83.8	Confident	6 Å²	6	53.2 Å²	53.2	5%	0.05	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	121.1	-172.9	0	0	0	0	0	109.5	S125 T126 Y198	S125-A164 CarbonylContact C-O 3.59Å; S125-A164 WeakPolarHBondContact CA-O 3.25Å; T126-A164 HydrophobicContact CG2-CB 3.91Å; T126-A164 PolarHBondContact N-O 2.82Å; T126-A164 VanDerWaalsContact OG1-CB 3.24Å; T126-A164 WeakPolarHBondContact OG1-CB 3.24Å; T126-A164 PolarHBondContact OG1-O 3.33Å; A164-Y198 CarbonylContact C-O 3.58Å; A164-Y198 WeakPolarHBondContact CA-O 3.35Å; A164-Y198 HydrophobicContact CB-CD2 3.91Å; A164-Y198 HydrophobicContact CB-CE1 4.02Å; A164-Y198 HydrophobicContact CB-CE2 3.26Å; A164-Y198 WeakPolarHBondContact CB-OH 3.24Å
165	F	96.7	Very high	83.8	Confident	19 Å²	19	56.1 Å²	56.1	8%	0.083	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	153.7	-175.6	-62.9	-87.2	0	0	0	111.6	M103 V123 L124 S163 F189 T193 Y198 H199 Y200	M103-F165 HydrophobicContact CE-CD1 3.33Å; M103-F165 HydrophobicContact CE-CD2 4.1Å; M103-F165 HydrophobicContact CE-CE1 3.22Å; M103-F165 HydrophobicContact CE-CE2 3.99Å; M103-F165 HydrophobicContact CE-CG 3.78Å; M103-F165 HydrophobicContact CE-CZ 3.57Å; M103-F165 HydrophobicContact SD-CD1 4.37Å; M103-F165 HydrophobicContact SD-CG 4.3Å; V123-F165 HydrophobicContact CG1-CB 4.01Å; V123-F165 HydrophobicContact CG1-CD1 4.28Å; L124-F165 CarbonylContact O-C 3.55Å; L124-F165 VanDerWaalsContact O-CA 3.24Å; L124-F165 WeakPolarHBondContact O-CA 3.36Å; S163-F165 VanDerWaalsContact OG-CE2 3.3Å; S163-F165 WeakPolarHBondContact OG-CE2 3.39Å; F165-F189 HydrophobicContact CD2-CD2 4.04Å; F165-F189 AromaticContact CD2-CE2 3.98Å; F165-F189 HydrophobicContact CD2-CE2 3.98Å; F165-T193 HydrophobicContact CD2-CG2 4.11Å; F165-T193 HydrophobicContact CE2-CG2 3.53Å; F165-T193 HydrophobicContact CZ-CG2 4.3Å; F165-Y198 PolarHBondContact N-O 3.03Å; F165-H199 CarbonylContact O-C 3.51Å; F165-H199 WeakPolarHBondContact O-CA 3.45Å; F165-H199 PolarHBondContact O-CD2 3Å; F165-Y200 PolarHBondContact O-N 3.03Å
166	I	96.2	Very high	84.4	Confident	2 Å²	2	52.8 Å²	52.8	1%	0.01	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	129.3	-179	48.2	157.4	0	0	0	110.5	V123 L124 T126 L129 Y149 T168 Y200	V123-I166 WeakPolarHBondContact CA-O 3.31Å; L124-I166 HydrophobicContact CB-CD1 4.31Å; L124-I166 HydrophobicContact CB-CG1 4.07Å; L124-I166 PolarHBondContact N-O 2.83Å; L124-I166 VanDerWaalsContact N-O 3.12Å; L124-I166 VanDerWaalsContact O-CG1 3.25Å; L124-I166 WeakPolarHBondContact O-CG1 3.4Å; L124-I166 PolarHBondContact O-N 3.33Å; T126-I166 HydrophobicContact CG2-CG2 3.69Å; L129-I166 HydrophobicContact CD1-CD1 4.1Å; L129-I166 HydrophobicContact CD2-CD1 3.56Å; L129-I166 HydrophobicContact CG-CD1 4.03Å; Y149-I166 HydrophobicContact CD1-CG2 4.17Å; Y149-I166 HydrophobicContact CD2-CG2 3.88Å; Y149-I166 HydrophobicContact CE1-CG2 3.88Å; Y149-I166 HydrophobicContact CE2-CB 4.39Å; Y149-I166 HydrophobicContact CE2-CD1 4.11Å; Y149-I166 HydrophobicContact CE2-CG2 3.56Å; Y149-I166 HydrophobicContact CG-CG2 4.19Å; I166-T168 HydrophobicContact CD1-CG2 4.16Å; I166-Y200 HydrophobicContact CG2-CD2 3.85Å; I166-Y200 HydrophobicContact CG2-CG 4.4Å
167	S	94.2	Very high	85.3	Confident	1 Å²	1	50 Å²	50	1%	0.007	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	67.4	166	-68.2	0	0	0	0	110	N121 V123 R170 H199 Y200	N121-S167 PolarHBondContact ND2-OG 3.24Å; N121-S167 VanDerWaalsContact ND2-OG 3.09Å; N121-S167 WeakPolarHBondContact OD1-CB 3.48Å; V123-S167 WeakPolarHBondContact CG2-OG 3.3Å; S167-R170 VanDerWaalsContact CB-NH1 3.31Å; S167-R170 PolarHBondContact O-NH1 3.24Å; S167-H199 WeakPolarHBondContact CB-NE2 3.2Å; S167-H199 PolarHBondContact N-NE2 3.31Å; S167-H199 PolarHBondContact OG-CE1 3.32Å; S167-H199 PolarHBondContact OG-NE2 3.39Å; S167-Y200 PolarHBondContact N-O 2.92Å
168	T	76.4	Confident	86.5	Confident	44 Å²	44	45.6 Å²	45.6	27%	0.27	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-21.9	-179.4	-164	0	0	0	0	113.7	Y149 I166	Y149-T168 WeakPolarHBondContact OH-CB 3.27Å; I166-T168 HydrophobicContact CD1-CG2 4.16Å
169	L	82	Confident	88	Confident	23 Å²	23	44.6 Å²	44.6	12%	0.12	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	78.7	177.4	-65.4	175.9	0	0	0	108	F67 I92 A95 L122	F67-L169 HydrophobicContact CE1-CB 4.2Å; F67-L169 HydrophobicContact CE1-CD2 4.05Å; F67-L169 HydrophobicContact CE2-CB 3.99Å; F67-L169 WeakPolarHBondContact CE2-O 3.46Å; F67-L169 VanDerWaalsContact CZ-CA 3.47Å; F67-L169 HydrophobicContact CZ-CB 3.48Å; F67-L169 VanDerWaalsContact CZ-CB 3.48Å; F67-L169 HydrophobicContact CZ-CD2 3.99Å; F67-L169 HydrophobicContact CZ-CG 4.32Å; I92-L169 HydrophobicContact CD1-CD1 3.91Å; I92-L169 HydrophobicContact CD1-CD2 3.82Å; I92-L169 HydrophobicContact CD1-CG 4.44Å; A95-L169 HydrophobicContact CB-CD1 4.02Å; L122-L169 HydrophobicContact CB-CB 3.99Å; L122-L169 WeakPolarHBondContact CB-O 3.48Å; L122-L169 HydrophobicContact CD1-CB 4.43Å; L122-L169 HydrophobicContact CD1-CD1 3.92Å; L122-L169 HydrophobicContact CD2-CB 4.1Å; L122-L169 HydrophobicContact CD2-CD1 3.94Å; L122-L169 HydrophobicContact CD2-CG 4.45Å; L122-L169 HydrophobicContact CG-CB 4.42Å; L122-L169 HydrophobicContact CG-CD1 4.48Å; L122-L169 PolarHBondContact N-O 3.1Å
170	R	91.4	Very high	89.3	Confident	27 Å²	27	42.8 Å²	42.8	10%	0.102	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	135.7	178.3	-173.6	171.7	54.8	-84.9	-9.6	111.2	A120 N121 S167 N178 L181 W202 E203	A120-R170 CarbonylContact O-C 3.49Å; A120-R170 VanDerWaalsContact O-CA 3.28Å; A120-R170 WeakPolarHBondContact O-CA 3.43Å; A120-R170 WeakPolarHBondContact O-CG 3.5Å; N121-R170 HydrophobicContact CB-CB 4.49Å; N121-R170 HydrophobicContact CB-CG 3.96Å; N121-R170 WeakPolarHBondContact OD1-CB 3.24Å; N121-R170 WeakPolarHBondContact OD1-CD 3.32Å; N121-R170 WeakPolarHBondContact OD1-CG 3.33Å; N121-R170 PolarHBondContact OD1-NH1 3.42Å; S167-R170 VanDerWaalsContact CB-NH1 3.31Å; S167-R170 PolarHBondContact O-NH1 3.24Å; R170-N178 VanDerWaalsContact CD-OD1 3.3Å; R170-N178 WeakPolarHBondContact CD-OD1 3.43Å; R170-N178 PolarHBondContact NE-OD1 3.33Å; R170-L181 HydrophobicContact CG-CD1 4.35Å; R170-W202 PolarHBondContact NH2-O 3.03Å; R170-E203 IonicContact CZ-OE1 3.56Å; R170-E203 IonicContact NE-OE1 3.68Å; R170-E203 IonicContact NH2-OE1 2.64Å; R170-E203 PolarHBondContact NH2-OE1 2.94Å
171	V	92.5	Very high	90.6	Very high	11 Å²	11	36.3 Å²	36.3	7%	0.067	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	153.4	171	-68	0	0	0	0	110.6	Y66 F67 L70 T71 G119 A120	Y66-V171 HydrophobicContact CD1-CG2 4.07Å; Y66-V171 HydrophobicContact CE1-CG2 3.66Å; F67-V171 HydrophobicContact CD2-CG1 4.36Å; F67-V171 HydrophobicContact CD2-CG2 3.63Å; F67-V171 HydrophobicContact CE2-CB 4.48Å; F67-V171 HydrophobicContact CE2-CG1 4.06Å; F67-V171 HydrophobicContact CE2-CG2 3.96Å; F67-V171 HydrophobicContact CG-CG2 4.28Å; F67-V171 HydrophobicContact CZ-CG1 4.27Å; L70-V171 HydrophobicContact CB-CB 4.23Å; L70-V171 HydrophobicContact CB-CG1 4.16Å; L70-V171 HydrophobicContact CB-CG2 4.47Å; L70-V171 HydrophobicContact CD1-CB 4.27Å; L70-V171 HydrophobicContact CD1-CG2 4.31Å; T71-V171 HydrophobicContact CG2-CG1 3.2Å; G119-V171 CarbonylContact C-O 3.59Å; G119-V171 VanDerWaalsContact CA-O 3.28Å; G119-V171 WeakPolarHBondContact CA-O 3.39Å; A120-V171 HydrophobicContact CB-CG2 4.24Å; A120-V171 PolarHBondContact N-O 2.84Å; A120-V171 PolarHBondContact O-N 3.46Å
172	S	93.5	Very high	91.9	Very high	33 Å²	33	32.8 Å²	32.8	23%	0.231	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	144.3	179.6	58.7	0	0	0	0	110.5	T174 N178	S172-T174 PolarHBondContact O-N 3.47Å; S172-T174 PolarHBondContact OG-O 3.13Å; S172-N178 WeakPolarHBondContact OG-CB 3.31Å
173	A	91.4	Very high	92.9	Very high	67 Å²	67	35.7 Å²	35.7	55%	0.554	19%	0.194	S	C	*	.	S	Bend	trans	-64.7	-28.5	176.4	0	0	0	0	0	112.9	N118 I177	N118-A173 HydrophobicContact CB-CB 4.19Å; N118-A173 WeakPolarHBondContact O-CB 3.47Å; N118-A173 PolarHBondContact O-N 2.88Å; A173-I177 HydrophobicContact CB-CD1 4.32Å
174	T	91.9	Very high	93.4	Very high	65 Å²	65	36.3 Å²	36.3	40%	0.399	19%	0.191	S	C	.	.	S	Bend	trans	-141	158.1	-179.5	74.6	0	0	0	0	112.1	S172 E176 I177 N178	S172-T174 PolarHBondContact O-N 3.47Å; S172-T174 PolarHBondContact OG-O 3.13Å; T174-E176 PolarHBondContact O-N 3.5Å; T174-E176 PolarHBondContact OG1-N 2.81Å; T174-I177 PolarHBondContact O-N 2.86Å; T174-I177 PolarHBondContact OG1-N 2.86Å; T174-N178 PolarHBondContact O-N 3.38Å
175	N	91.8	Very high	93.5	Very high	74 Å²	74	36 Å²	36	40%	0.396	19%	0.188	S	C	.	.	H	α-helix	trans	-61	-28.2	172.6	-67.5	-33.3	0	0	0	112.5	N178 R179	N175-N178 WeakPolarHBondContact O-CB 3.25Å; N175-N178 PolarHBondContact O-N 3.22Å; N175-R179 WeakPolarHBondContact O-CB 3.46Å; N175-R179 VanDerWaalsContact O-CG 3.24Å; N175-R179 WeakPolarHBondContact O-CG 3.34Å; N175-R179 PolarHBondContact O-N 2.87Å
176	E	94.5	Very high	93.5	Very high	104 Å²	104	35.3 Å²	35.3	49%	0.486	19%	0.186	S	C	.	.	H	α-helix	trans	-66.7	-46.4	177.5	-164.8	-154.8	141	0	0	110.8	Y50 T174 N178 R179 A180	Y50-E176 VanDerWaalsContact CE1-OE1 3.29Å; Y50-E176 WeakPolarHBondContact CE1-OE1 3.46Å; Y50-E176 PolarHBondContact OH-OE1 2.86Å; T174-E176 PolarHBondContact O-N 3.5Å; T174-E176 PolarHBondContact OG1-N 2.81Å; E176-N178 VanDerWaalsContact C-N 3.33Å; E176-N178 PolarHBondContact O-N 2.85Å; E176-R179 PolarHBondContact O-N 3.37Å; E176-A180 PolarHBondContact O-N 3.46Å
177	I	94.9	Very high	93.6	Very high	7 Å²	7	38.9 Å²	38.9	4%	0.036	20%	0.203	C	C	.	.	H	α-helix	trans	-63.5	-41.8	175.6	-67.4	168.1	0	0	0	110.2	Y50 T107 N118 A173 T174 R179 A180 L181	Y50-I177 HydrophobicContact CD1-CD1 4.38Å; Y50-I177 HydrophobicContact CD1-CG1 3.82Å; Y50-I177 HydrophobicContact CD2-CG1 4.45Å; Y50-I177 HydrophobicContact CE1-CG1 3.94Å; Y50-I177 HydrophobicContact CG-CG1 4.09Å; T107-I177 HydrophobicContact CG2-CG2 3.95Å; T107-I177 VanDerWaalsContact OG1-CG2 3.26Å; T107-I177 WeakPolarHBondContact OG1-CG2 3.11Å; N118-I177 HydrophobicContact CB-CD1 3.96Å; A173-I177 HydrophobicContact CB-CD1 4.32Å; T174-I177 PolarHBondContact O-N 2.86Å; T174-I177 PolarHBondContact OG1-N 2.86Å; I177-R179 VanDerWaalsContact C-N 3.34Å; I177-R179 PolarHBondContact O-N 2.9Å; I177-A180 WeakPolarHBondContact O-CB 3.27Å; I177-A180 PolarHBondContact O-N 3.44Å; I177-A180 VanDerWaalsContact O-N 3.13Å; I177-L181 HydrophobicContact CG2-CD1 4.1Å; I177-L181 HydrophobicContact CG2-CG 4.45Å; I177-L181 PolarHBondContact O-N 2.76Å
178	N	95.1	Very high	93.7	Very high	13 Å²	13	40.2 Å²	40.2	7%	0.07	21%	0.209	C	C	.	.	H	α-helix	trans	-54.3	-50.5	174.7	-168.6	28	0	0	0	111.9	R170 S172 T174 N175 E176 A180 L181 I182 E203	R170-N178 VanDerWaalsContact CD-OD1 3.3Å; R170-N178 WeakPolarHBondContact CD-OD1 3.43Å; R170-N178 PolarHBondContact NE-OD1 3.33Å; S172-N178 WeakPolarHBondContact OG-CB 3.31Å; T174-N178 PolarHBondContact O-N 3.38Å; N175-N178 WeakPolarHBondContact O-CB 3.25Å; N175-N178 PolarHBondContact O-N 3.22Å; E176-N178 VanDerWaalsContact C-N 3.33Å; E176-N178 PolarHBondContact O-N 2.85Å; N178-A180 VanDerWaalsContact C-N 3.31Å; N178-A180 PolarHBondContact O-N 2.84Å; N178-L181 PolarHBondContact O-N 3.37Å; N178-I182 WeakPolarHBondContact O-CG1 3.46Å; N178-I182 PolarHBondContact O-N 3.19Å; N178-E203 PolarHBondContact ND2-OE1 2.82Å; N178-E203 PolarHBondContact ND2-OE2 3.46Å; N178-E203 PolarHBondContact OD1-OE1 2.69Å
179	R	96.7	Very high	94.6	Very high	101 Å²	101	38.1 Å²	38.1	38%	0.381	20%	0.196	S	C	.	.	H	α-helix	trans	-60.4	-42	177.1	-72.7	170.9	-178.1	175.2	0.8	111.3	N175 E176 I177 I182 K183 K207 M208 F211	N175-R179 WeakPolarHBondContact O-CB 3.46Å; N175-R179 VanDerWaalsContact O-CG 3.24Å; N175-R179 WeakPolarHBondContact O-CG 3.34Å; N175-R179 PolarHBondContact O-N 2.87Å; E176-R179 PolarHBondContact O-N 3.37Å; I177-R179 VanDerWaalsContact C-N 3.34Å; I177-R179 PolarHBondContact O-N 2.9Å; R179-I182 PolarHBondContact O-N 3.01Å; R179-K183 WeakPolarHBondContact O-CB 2.99Å; R179-K183 PolarHBondContact O-N 3.29Å; R179-K207 PolarHBondContact NH2-O 2.87Å; R179-M208 HydrophobicContact CG-CE 3.59Å; R179-M208 HydrophobicContact CG-SD 3.78Å; R179-F211 HydrophobicContact CB-CD1 4.38Å; R179-F211 HydrophobicContact CB-CD2 4.17Å; R179-F211 HydrophobicContact CB-CE1 3.93Å; R179-F211 HydrophobicContact CB-CE2 3.71Å; R179-F211 HydrophobicContact CB-CG 4.48Å; R179-F211 HydrophobicContact CB-CZ 3.57Å; R179-F211 HydrophobicContact CG-CD1 3.81Å; R179-F211 HydrophobicContact CG-CD2 3.93Å; R179-F211 HydrophobicContact CG-CE1 3.84Å; R179-F211 HydrophobicContact CG-CE2 3.98Å; R179-F211 HydrophobicContact CG-CG 3.83Å; R179-F211 HydrophobicContact CG-CZ 3.93Å; R179-F211 WeakPolarHBondContact O-CZ 3.46Å
180	A	96.7	Very high	95.3	Very high	12 Å²	12	39.2 Å²	39.2	10%	0.099	20%	0.202	C	C	.	.	H	α-helix	trans	-63	-43.3	178.6	0	0	0	0	0	112.2	Y50 I52 E176 I177 N178 K183 Y184	Y50-A180 HydrophobicContact CE2-CB 3.61Å; Y50-A180 WeakPolarHBondContact OH-CB 3.31Å; I52-A180 HydrophobicContact CD1-CB 4.05Å; E176-A180 PolarHBondContact O-N 3.46Å; I177-A180 WeakPolarHBondContact O-CB 3.27Å; I177-A180 PolarHBondContact O-N 3.44Å; I177-A180 VanDerWaalsContact O-N 3.13Å; N178-A180 VanDerWaalsContact C-N 3.31Å; N178-A180 PolarHBondContact O-N 2.84Å; A180-K183 PolarHBondContact O-N 3.5Å; A180-Y184 WeakPolarHBondContact O-CB 3.46Å; A180-Y184 PolarHBondContact O-N 3.49Å
181	L	97.4	Very high	95.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.7	-45.5	175.1	-76.7	168.8	0	0	0	112.2	S105 T107 N121 R170 I177 N178 Y184 T185	S105-L181 WeakPolarHBondContact OG-CD2 3.14Å; T107-L181 HydrophobicContact CG2-CD1 4.41Å; T107-L181 HydrophobicContact CG2-CD2 3.67Å; T107-L181 HydrophobicContact CG2-CG 3.89Å; N121-L181 HydrophobicContact CB-CB 4.28Å; N121-L181 HydrophobicContact CB-CD1 4.42Å; N121-L181 HydrophobicContact CB-CD2 4.12Å; R170-L181 HydrophobicContact CG-CD1 4.35Å; I177-L181 HydrophobicContact CG2-CD1 4.1Å; I177-L181 HydrophobicContact CG2-CG 4.45Å; I177-L181 PolarHBondContact O-N 2.76Å; N178-L181 PolarHBondContact O-N 3.37Å; L181-Y184 PolarHBondContact O-N 2.64Å; L181-T185 WeakPolarHBondContact O-CB 3.33Å; L181-T185 PolarHBondContact O-N 3.21Å; L181-T185 PolarHBondContact O-OG1 3.26Å
182	I	97.8	Very high	95.4	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-64.5	-45	178.4	-65.6	163.6	0	0	0	110.7	N178 R179 T185 A186 V201 E203 M208 F211 M212 L215 Y217	N178-I182 WeakPolarHBondContact O-CG1 3.46Å; N178-I182 PolarHBondContact O-N 3.19Å; R179-I182 PolarHBondContact O-N 3.01Å; I182-T185 PolarHBondContact O-N 3.24Å; I182-A186 VanDerWaalsContact O-CB 3.31Å; I182-A186 WeakPolarHBondContact O-CB 3.35Å; I182-A186 PolarHBondContact O-N 3.14Å; I182-V201 HydrophobicContact CD1-CG1 4.39Å; I182-V201 HydrophobicContact CG1-CG1 4.44Å; I182-E203 HydrophobicContact CD1-CG 4.03Å; I182-E203 WeakPolarHBondContact CD1-OE1 3.21Å; I182-M208 HydrophobicContact CD1-CE 3.45Å; I182-M208 VanDerWaalsContact CD1-CE 3.45Å; I182-F211 HydrophobicContact CB-CE1 3.98Å; I182-F211 HydrophobicContact CB-CZ 4.42Å; I182-F211 HydrophobicContact CD1-CE1 4.21Å; I182-F211 HydrophobicContact CG2-CE1 3.91Å; I182-M212 HydrophobicContact CD1-SD 4.29Å; I182-M212 HydrophobicContact CG2-CE 4.31Å; I182-M212 HydrophobicContact CG2-SD 4.06Å; I182-L215 HydrophobicContact CG2-CD1 3.82Å; I182-Y217 HydrophobicContact CG2-CE2 4.25Å
183	K	97.9	Very high	95.4	Very high	103 Å²	103	47 Å²	47	45%	0.448	24%	0.237	S	C	.	.	H	α-helix	trans	-60.1	-49.8	177.6	179	174.4	174.8	179.7	0	110.9	R179 A180 T185 A186 E187 F211 L215	R179-K183 WeakPolarHBondContact O-CB 2.99Å; R179-K183 PolarHBondContact O-N 3.29Å; A180-K183 PolarHBondContact O-N 3.5Å; K183-T185 VanDerWaalsContact C-N 3.32Å; K183-T185 PolarHBondContact O-N 3.01Å; K183-A186 PolarHBondContact O-N 2.92Å; K183-E187 WeakPolarHBondContact CE-OE1 3.41Å; K183-E187 WeakPolarHBondContact CG-OE1 3.5Å; K183-E187 WeakPolarHBondContact O-CG 3.24Å; K183-E187 PolarHBondContact O-N 3.28Å; K183-F211 HydrophobicContact CB-CZ 4.25Å; K183-L215 HydrophobicContact CB-CD1 4.2Å; K183-L215 HydrophobicContact CB-CD2 4.35Å; K183-L215 HydrophobicContact CG-CD2 4.08Å
184	Y	97.4	Very high	95.3	Very high	49 Å²	49	45.7 Å²	45.7	19%	0.192	22%	0.222	C	C	.	.	H	α-helix	trans	-56.6	-48.2	177.1	178.3	-92.8	0	0	0	111.3	I52 A180 L181 A186 E187 Q188	I52-Y184 HydrophobicContact CB-CD2 4.45Å; I52-Y184 HydrophobicContact CD1-CD2 4.32Å; I52-Y184 HydrophobicContact CD1-CG 4.18Å; I52-Y184 HydrophobicContact CG2-CD1 3.94Å; I52-Y184 HydrophobicContact CG2-CD2 3.97Å; I52-Y184 HydrophobicContact CG2-CE1 4.19Å; I52-Y184 HydrophobicContact CG2-CE2 4.21Å; I52-Y184 HydrophobicContact CG2-CG 3.82Å; A180-Y184 WeakPolarHBondContact O-CB 3.46Å; A180-Y184 PolarHBondContact O-N 3.49Å; L181-Y184 PolarHBondContact O-N 2.64Å; Y184-A186 PolarHBondContact O-N 3.39Å; Y184-E187 WeakPolarHBondContact O-CB 3.14Å; Y184-E187 PolarHBondContact O-N 3.44Å; Y184-Q188 HydrophobicContact CD1-CG 4.08Å; Y184-Q188 HydrophobicContact CE1-CG 3.66Å; Y184-Q188 HydrophobicContact CE2-CG 4.45Å; Y184-Q188 WeakPolarHBondContact O-CG 3.44Å; Y184-Q188 PolarHBondContact O-N 3.33Å
185	T	97.6	Very high	95.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.8	-42	-179.5	-55.6	0	0	0	0	112	M103 N121 V123 L181 I182 K183 E187 Q188 F189	M103-T185 HydrophobicContact CB-CG2 4.41Å; N121-T185 PolarHBondContact ND2-OG1 3.39Å; V123-T185 HydrophobicContact CG2-CG2 3.69Å; L181-T185 WeakPolarHBondContact O-CB 3.33Å; L181-T185 PolarHBondContact O-N 3.21Å; L181-T185 PolarHBondContact O-OG1 3.26Å; I182-T185 PolarHBondContact O-N 3.24Å; K183-T185 VanDerWaalsContact C-N 3.32Å; K183-T185 PolarHBondContact O-N 3.01Å; T185-E187 VanDerWaalsContact C-N 3.32Å; T185-E187 PolarHBondContact O-N 3.15Å; T185-Q188 PolarHBondContact O-N 3.12Å; T185-F189 VanDerWaalsContact O-CB 3.24Å; T185-F189 WeakPolarHBondContact O-CB 3.48Å; T185-F189 PolarHBondContact O-N 3.43Å
186	A	97.5	Very high	95.3	Very high	4 Å²	4	43 Å²	43	3%	0.033	20%	0.204	C	C	.	.	H	α-helix	trans	-60.9	-41.5	175.8	0	0	0	0	0	111.7	I182 K183 Y184 F189 L190 Y217 L252	I182-A186 VanDerWaalsContact O-CB 3.31Å; I182-A186 WeakPolarHBondContact O-CB 3.35Å; I182-A186 PolarHBondContact O-N 3.14Å; K183-A186 PolarHBondContact O-N 2.92Å; Y184-A186 PolarHBondContact O-N 3.39Å; A186-F189 PolarHBondContact O-N 3.08Å; A186-L190 WeakPolarHBondContact O-CB 3.3Å; A186-L190 VanDerWaalsContact O-CG 3.27Å; A186-L190 WeakPolarHBondContact O-CG 3.43Å; A186-L190 PolarHBondContact O-N 3.18Å; A186-Y217 HydrophobicContact CB-CE2 3.95Å; A186-L252 HydrophobicContact CB-CD2 3.83Å
187	E	97.1	Very high	95.3	Very high	78 Å²	78	38 Å²	38	36%	0.364	18%	0.181	S	C	.	.	H	α-helix	trans	-64.7	-44.3	175.8	-71.6	171.9	-171.1	0	0	112	K183 Y184 T185 R191	K183-E187 WeakPolarHBondContact CE-OE1 3.41Å; K183-E187 WeakPolarHBondContact CG-OE1 3.5Å; K183-E187 WeakPolarHBondContact O-CG 3.24Å; K183-E187 PolarHBondContact O-N 3.28Å; Y184-E187 WeakPolarHBondContact O-CB 3.14Å; Y184-E187 PolarHBondContact O-N 3.44Å; T185-E187 VanDerWaalsContact C-N 3.32Å; T185-E187 PolarHBondContact O-N 3.15Å; E187-R191 WeakPolarHBondContact O-CB 3.49Å; E187-R191 WeakPolarHBondContact O-CD 3.4Å; E187-R191 WeakPolarHBondContact O-CG 3.33Å; E187-R191 PolarHBondContact O-N 3.37Å
188	Q	96.4	Very high	95.4	Very high	29 Å²	29	38.7 Å²	38.7	14%	0.136	18%	0.183	C	C	.	.	H	α-helix	trans	-63.1	-46.8	175.5	-63.3	-47.9	-40.3	0	0	111.3	M103 Y184 T185 L190 R191 A192	M103-Q188 HydrophobicContact CG-CB 4Å; Y184-Q188 HydrophobicContact CD1-CG 4.08Å; Y184-Q188 HydrophobicContact CE1-CG 3.66Å; Y184-Q188 HydrophobicContact CE2-CG 4.45Å; Y184-Q188 WeakPolarHBondContact O-CG 3.44Å; Y184-Q188 PolarHBondContact O-N 3.33Å; T185-Q188 PolarHBondContact O-N 3.12Å; Q188-L190 PolarHBondContact O-N 2.58Å; Q188-R191 PolarHBondContact O-N 2.7Å; Q188-R191 VanDerWaalsContact O-N 3.1Å; Q188-A192 VanDerWaalsContact O-CB 3.24Å; Q188-A192 WeakPolarHBondContact O-CB 3.47Å; Q188-A192 PolarHBondContact O-N 3Å
189	F	96.4	Very high	95.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-55.9	-49.8	177.4	165.8	-100.6	0	0	0	112.1	M103 F165 T185 A186 R191 A192 T193 S197 Y198 H199 L252 N254	M103-F189 HydrophobicContact SD-CB 3.88Å; M103-F189 HydrophobicContact SD-CD2 4.16Å; F165-F189 HydrophobicContact CD2-CD2 4.04Å; F165-F189 AromaticContact CD2-CE2 3.98Å; F165-F189 HydrophobicContact CD2-CE2 3.98Å; T185-F189 VanDerWaalsContact O-CB 3.24Å; T185-F189 WeakPolarHBondContact O-CB 3.48Å; T185-F189 PolarHBondContact O-N 3.43Å; A186-F189 PolarHBondContact O-N 3.08Å; F189-R191 PolarHBondContact O-N 2.9Å; F189-A192 PolarHBondContact O-N 2.96Å; F189-T193 HydrophobicContact CD2-CG2 3.56Å; F189-T193 HydrophobicContact CE2-CG2 3.7Å; F189-T193 WeakPolarHBondContact CE2-OG1 3.25Å; F189-T193 HydrophobicContact CG-CG2 4.47Å; F189-T193 WeakPolarHBondContact O-CB 3.37Å; F189-T193 WeakPolarHBondContact O-CG2 3.43Å; F189-T193 PolarHBondContact O-N 3.25Å; F189-T193 VanDerWaalsContact O-N 3.11Å; F189-T193 PolarHBondContact O-OG1 3.46Å; F189-S197 WeakPolarHBondContact CZ-O 3.46Å; F189-Y198 VanDerWaalsContact CZ-CA 3.49Å; F189-H199 HydrophobicContact CD1-CB 3.95Å; F189-H199 HydrophobicContact CD2-CB 3.72Å; F189-H199 HydrophobicContact CE1-CB 4.02Å; F189-H199 HydrophobicContact CE2-CB 3.78Å; F189-H199 HydrophobicContact CG-CB 3.82Å; F189-H199 HydrophobicContact CZ-CB 3.95Å; F189-L252 HydrophobicContact CD1-CD2 3.83Å; F189-L252 HydrophobicContact CD1-CG 4.21Å; F189-L252 HydrophobicContact CE1-CD2 4.15Å; F189-L252 HydrophobicContact CE1-CG 4.01Å; F189-N254 HydrophobicContact CE1-CB 4.03Å; F189-N254 HydrophobicContact CZ-CB 4.02Å
190	L	95.4	Very high	95.5	Very high	45 Å²	45	33.3 Å²	33.3	24%	0.236	16%	0.162	C	C	.	.	H	α-helix	trans	-70.6	-11.7	180	-69.6	175.9	0	0	0	114.1	A186 Q188 L252 N254 K256	A186-L190 WeakPolarHBondContact O-CB 3.3Å; A186-L190 VanDerWaalsContact O-CG 3.27Å; A186-L190 WeakPolarHBondContact O-CG 3.43Å; A186-L190 PolarHBondContact O-N 3.18Å; Q188-L190 PolarHBondContact O-N 2.58Å; L190-L252 HydrophobicContact CD1-CD2 4.12Å; L190-L252 HydrophobicContact CD2-CD2 4.21Å; L190-L252 HydrophobicContact CD2-CG 4.3Å; L190-L252 HydrophobicContact CG-CD2 4.02Å; L190-N254 HydrophobicContact CD2-CB 4.06Å; L190-K256 PolarHBondContact O-NZ 2.58Å
191	R	93.9	Very high	95.5	Very high	172 Å²	172	32.8 Å²	32.8	65%	0.649	16%	0.157	S	C	*	.	H	α-helix	trans	-94.8	-37.9	174.1	-73.4	172.9	-174.8	-150.7	2.7	111.8	E187 Q188 F189	E187-R191 WeakPolarHBondContact O-CB 3.49Å; E187-R191 WeakPolarHBondContact O-CD 3.4Å; E187-R191 WeakPolarHBondContact O-CG 3.33Å; E187-R191 PolarHBondContact O-N 3.37Å; Q188-R191 PolarHBondContact O-N 2.7Å; Q188-R191 VanDerWaalsContact O-N 3.1Å; F189-R191 PolarHBondContact O-N 2.9Å
192	A	92.3	Very high	95.3	Very high	53 Å²	53	33.3 Å²	33.3	44%	0.438	16%	0.159	S	C	.	.	H	α-helix	trans	-94.7	-15.8	-168.3	0	0	0	0	0	114.5	L102 Q188 F189	L102-A192 HydrophobicContact CD2-CB 3.43Å; L102-A192 VanDerWaalsContact CD2-CB 3.43Å; Q188-A192 VanDerWaalsContact O-CB 3.24Å; Q188-A192 WeakPolarHBondContact O-CB 3.47Å; Q188-A192 PolarHBondContact O-N 3Å; F189-A192 PolarHBondContact O-N 2.96Å
193	T	92.7	Very high	95.1	Very high	10 Å²	10	34.1 Å²	34.1	6%	0.061	16%	0.163	C	C	.	.	S	Bend	trans	-107.8	159.7	-173.5	65.5	0	0	0	0	112.6	F165 F189 N254	F165-T193 HydrophobicContact CD2-CG2 4.11Å; F165-T193 HydrophobicContact CE2-CG2 3.53Å; F165-T193 HydrophobicContact CZ-CG2 4.3Å; F189-T193 HydrophobicContact CD2-CG2 3.56Å; F189-T193 HydrophobicContact CE2-CG2 3.7Å; F189-T193 WeakPolarHBondContact CE2-OG1 3.25Å; F189-T193 HydrophobicContact CG-CG2 4.47Å; F189-T193 WeakPolarHBondContact O-CB 3.37Å; F189-T193 WeakPolarHBondContact O-CG2 3.43Å; F189-T193 PolarHBondContact O-N 3.25Å; F189-T193 VanDerWaalsContact O-N 3.11Å; F189-T193 PolarHBondContact O-OG1 3.46Å; T193-N254 PolarHBondContact O-ND2 3.48Å; T193-N254 PolarHBondContact OG1-ND2 3.21Å
194	T	91.3	Very high	94.8	Very high	39 Å²	39	33.6 Å²	33.6	24%	0.239	16%	0.158	C	C	.	.			trans	-82.2	167.9	178.5	58.9	0	0	0	0	112	S161 G196 S197	S161-T194 PolarHBondContact O-OG1 2.77Å; S161-T194 VanDerWaalsContact O-OG1 3.13Å; S161-T194 PolarHBondContact OG-OG1 2.6Å; T194-G196 PolarHBondContact O-N 2.98Å; T194-S197 VanDerWaalsContact O-CB 3.31Å; T194-S197 WeakPolarHBondContact O-CB 3.38Å; T194-S197 PolarHBondContact O-N 3.18Å; T194-S197 VanDerWaalsContact O-N 3.17Å; T194-S197 PolarHBondContact O-OG 2.9Å
195	H	91	Very high	94.3	Very high	79 Å²	79	33.4 Å²	33.4	37%	0.366	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.7	138.3	167.5	-169	68.3	0	0	0	111.5	S197 K255 K256	H195-S197 PolarHBondContact O-N 3.36Å; H195-K255 PolarHBondContact CE1-O 3.24Å; H195-K255 VanDerWaalsContact CE1-O 3.31Å; H195-K255 VanDerWaalsContact ND1-C 3.28Å; H195-K255 PolarHBondContact ND1-O 2.99Å; H195-K256 WeakPolarHBondContact CA-O 3.49Å; H195-K256 WeakPolarHBondContact CB-O 3.17Å; H195-K256 PolarHBondContact ND1-O 3.01Å
196	G	91.7	Very high	93.9	Very high	4 Å²	4	37.6 Å²	37.6	4%	0.041	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	-13.5	179.1	0	0	0	0	0	115.2	T194 N254	T194-G196 PolarHBondContact O-N 2.98Å; G196-N254 PolarHBondContact N-O 3.32Å
197	S	94.8	Very high	93.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.206	C	C	.	.			trans	-59.6	152.5	169.5	-69.8	0	0	0	0	110.5	S163 F189 T194 H195 N254	S163-S197 PolarHBondContact N-OG 2.65Å; S163-S197 CarbonylContact O-C 3.52Å; S163-S197 WeakPolarHBondContact O-CA 3.4Å; S163-S197 WeakPolarHBondContact O-CB 3.49Å; S163-S197 PolarHBondContact O-OG 3.44Å; S163-S197 PolarHBondContact OG-OG 2.76Å; F189-S197 WeakPolarHBondContact CZ-O 3.46Å; T194-S197 VanDerWaalsContact O-CB 3.31Å; T194-S197 WeakPolarHBondContact O-CB 3.38Å; T194-S197 PolarHBondContact O-N 3.18Å; T194-S197 VanDerWaalsContact O-N 3.17Å; T194-S197 PolarHBondContact O-OG 2.9Å; H195-S197 PolarHBondContact O-N 3.36Å; S197-N254 PolarHBondContact O-N 3.05Å
198	Y	95.8	Very high	93.4	Very high	21 Å²	21	37.9 Å²	37.9	8%	0.082	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	154.9	178.8	53.5	-87.6	0	0	0	112.7	K153 P154 S163 A164 F165 F189 Y200 L252	K153-Y198 WeakPolarHBondContact CE-OH 3.41Å; K153-Y198 WeakPolarHBondContact CG-OH 3.42Å; P154-Y198 HydrophobicContact CG-CD1 3.52Å; P154-Y198 HydrophobicContact CG-CE1 3.81Å; P154-Y198 HydrophobicContact CG-CG 4.02Å; S163-Y198 PolarHBondContact O-N 3.36Å; A164-Y198 CarbonylContact C-O 3.58Å; A164-Y198 WeakPolarHBondContact CA-O 3.35Å; A164-Y198 HydrophobicContact CB-CD2 3.91Å; A164-Y198 HydrophobicContact CB-CE1 4.02Å; A164-Y198 HydrophobicContact CB-CE2 3.26Å; A164-Y198 WeakPolarHBondContact CB-OH 3.24Å; F165-Y198 PolarHBondContact N-O 3.03Å; F189-Y198 VanDerWaalsContact CZ-CA 3.49Å; Y198-Y200 HydrophobicContact CD2-CD2 4.29Å; Y198-Y200 HydrophobicContact CD2-CE1 4.36Å; Y198-Y200 AromaticContact CD2-CE2 3.68Å; Y198-Y200 HydrophobicContact CD2-CE2 3.68Å; Y198-Y200 AromaticContact CD2-CZ 3.67Å; Y198-Y200 HydrophobicContact CE2-CD2 4.35Å; Y198-Y200 AromaticContact CE2-CE2 3.44Å; Y198-Y200 HydrophobicContact CE2-CE2 3.44Å; Y198-Y200 VanDerWaalsContact CE2-CE2 3.44Å; Y198-Y200 AromaticContact CE2-CZ 3.59Å; Y198-Y200 WeakPolarHBondContact CE2-OH 3.29Å; Y198-L252 CarbonylContact C-O 3.58Å; Y198-L252 WeakPolarHBondContact CA-O 3.38Å; Y198-L252 WeakPolarHBondContact CB-O 3.42Å
199	H	97.2	Very high	93.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	126.6	-177.3	175.5	-121	0	0	0	111	F165 S167 F189 V201 Y217 R251 L252	F165-H199 CarbonylContact O-C 3.51Å; F165-H199 WeakPolarHBondContact O-CA 3.45Å; F165-H199 PolarHBondContact O-CD2 3Å; S167-H199 WeakPolarHBondContact CB-NE2 3.2Å; S167-H199 PolarHBondContact N-NE2 3.31Å; S167-H199 PolarHBondContact OG-CE1 3.32Å; S167-H199 PolarHBondContact OG-NE2 3.39Å; F189-H199 HydrophobicContact CD1-CB 3.95Å; F189-H199 HydrophobicContact CD2-CB 3.72Å; F189-H199 HydrophobicContact CE1-CB 4.02Å; F189-H199 HydrophobicContact CE2-CB 3.78Å; F189-H199 HydrophobicContact CG-CB 3.82Å; F189-H199 HydrophobicContact CZ-CB 3.95Å; H199-V201 WeakPolarHBondContact CE1-CG2 3.14Å; H199-Y217 PolarHBondContact CE1-OH 3.28Å; H199-Y217 AromaticContact ND1-CE1 3.84Å; H199-Y217 AromaticContact ND1-CZ 3.73Å; H199-Y217 PolarHBondContact ND1-OH 3.48Å; H199-R251 CarbonylContact O-C 3.59Å; H199-R251 WeakPolarHBondContact O-CA 3.46Å; H199-L252 PolarHBondContact N-O 2.89Å; H199-L252 PolarHBondContact O-N 3.38Å
200	Y	97.6	Very high	93.3	Very high	1 Å²	1	48.5 Å²	48.5	0%	0.004	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	141.7	179.2	-68.4	-60	0	0	0	112.8	Y149 A152 K153 F165 I166 S167 Y198 L249 Y250 R251	Y149-Y200 HydrophobicContact CD1-CD1 4.5Å; Y149-Y200 AromaticContact CD1-CD2 3.53Å; Y149-Y200 HydrophobicContact CD1-CD2 3.53Å; Y149-Y200 AromaticContact CD1-CE2 3.87Å; Y149-Y200 HydrophobicContact CD1-CE2 3.87Å; Y149-Y200 AromaticContact CD1-CG 3.87Å; Y149-Y200 HydrophobicContact CD1-CG 3.87Å; Y149-Y200 HydrophobicContact CE1-CD2 4.11Å; Y149-Y200 HydrophobicContact CE1-CG 4.13Å; Y149-Y200 HydrophobicContact CG-CD2 4.05Å; Y149-Y200 HydrophobicContact CG-CE2 4.16Å; Y149-Y200 PolarHBondContact O-OH 3.35Å; Y149-Y200 VanDerWaalsContact O-OH 3.13Å; A152-Y200 HydrophobicContact CB-CE1 3.93Å; A152-Y200 PolarHBondContact O-OH 3.07Å; K153-Y200 VanDerWaalsContact CA-OH 3.3Å; K153-Y200 WeakPolarHBondContact CA-OH 3.45Å; K153-Y200 PolarHBondContact N-OH 3.46Å; F165-Y200 PolarHBondContact O-N 3.03Å; I166-Y200 HydrophobicContact CG2-CD2 3.85Å; I166-Y200 HydrophobicContact CG2-CG 4.4Å; S167-Y200 PolarHBondContact N-O 2.92Å; Y198-Y200 HydrophobicContact CD2-CD2 4.29Å; Y198-Y200 HydrophobicContact CD2-CE1 4.36Å; Y198-Y200 AromaticContact CD2-CE2 3.68Å; Y198-Y200 HydrophobicContact CD2-CE2 3.68Å; Y198-Y200 AromaticContact CD2-CZ 3.67Å; Y198-Y200 HydrophobicContact CE2-CD2 4.35Å; Y198-Y200 AromaticContact CE2-CE2 3.44Å; Y198-Y200 HydrophobicContact CE2-CE2 3.44Å; Y198-Y200 VanDerWaalsContact CE2-CE2 3.44Å; Y198-Y200 AromaticContact CE2-CZ 3.59Å; Y198-Y200 WeakPolarHBondContact CE2-OH 3.29Å; Y200-L249 HydrophobicContact CD1-CD1 3.93Å; Y200-L249 HydrophobicContact CD1-CD2 4.12Å; Y200-L249 HydrophobicContact CD1-CG 4.13Å; Y200-L249 HydrophobicContact CE1-CD2 4.26Å; Y200-L249 HydrophobicContact CG-CD1 4.19Å; Y200-Y250 CarbonylContact C-O 3.47Å; Y200-Y250 VanDerWaalsContact CA-O 3.31Å; Y200-Y250 WeakPolarHBondContact CA-O 3.49Å; Y200-R251 HydrophobicContact CD1-CB 3.84Å; Y200-R251 HydrophobicContact CD1-CG 3.93Å; Y200-R251 HydrophobicContact CE1-CB 3.85Å; Y200-R251 HydrophobicContact CE1-CG 3.68Å
201	V	96.4	Very high	93.4	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	129.3	175.5	-174.4	0	0	0	0	109.1	I182 H199 E203 M212 Y217 Y250	I182-V201 HydrophobicContact CD1-CG1 4.39Å; I182-V201 HydrophobicContact CG1-CG1 4.44Å; H199-V201 WeakPolarHBondContact CE1-CG2 3.14Å; V201-E203 HydrophobicContact CG1-CG 3.97Å; V201-M212 HydrophobicContact CB-CE 3.9Å; V201-M212 HydrophobicContact CG1-CE 4.07Å; V201-M212 HydrophobicContact CG2-CE 4.35Å; V201-Y217 HydrophobicContact CB-CE1 4.29Å; V201-Y217 HydrophobicContact CG2-CD1 4.44Å; V201-Y217 HydrophobicContact CG2-CE1 3.56Å; V201-Y250 PolarHBondContact N-O 2.9Å; V201-Y250 PolarHBondContact O-N 2.78Å
202	W	94	Very high	93.6	Very high	11 Å²	11	39.8 Å²	39.8	4%	0.042	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	131.4	166.1	-72.2	96.7	0	0	0	110.3	C148 Y149 R170 C232 W234 Q247 C248 L249	C148-W202 VanDerWaalsContact SG-CZ2 3.58Å; Y149-W202 AromaticContact CE1-NE1 3.66Å; Y149-W202 AromaticContact CZ-NE1 3.66Å; Y149-W202 PolarHBondContact OH-NE1 2.84Å; R170-W202 PolarHBondContact NH2-O 3.03Å; W202-C232 HydrophobicContact CH2-CB 3.87Å; W202-C232 WeakPolarHBondContact CH2-O 3.35Å; W202-W234 AromaticContact CD2-NE1 3.92Å; W202-W234 AromaticContact CE2-NE1 3.93Å; W202-W234 AromaticContact CE3-NE1 3.63Å; W202-W234 AromaticContact CH2-CD1 3.87Å; W202-W234 AromaticContact CH2-NE1 3.34Å; W202-W234 VanDerWaalsContact CH2-NE1 3.34Å; W202-W234 AromaticContact CZ2-NE1 3.66Å; W202-W234 AromaticContact CZ3-CD1 3.72Å; W202-W234 AromaticContact CZ3-NE1 3.34Å; W202-W234 VanDerWaalsContact CZ3-NE1 3.34Å; W202-Q247 HydrophobicContact CE3-CB 4.36Å; W202-Q247 HydrophobicContact CZ3-CB 4.4Å; W202-C248 WeakPolarHBondContact CA-O 3.26Å; W202-L249 HydrophobicContact CD2-CB 4.4Å; W202-L249 HydrophobicContact CD2-CD1 4.16Å; W202-L249 HydrophobicContact CE3-CB 4.17Å; W202-L249 HydrophobicContact CG-CD1 4.45Å; W202-L249 HydrophobicContact CH2-CB 4.07Å; W202-L249 HydrophobicContact CZ2-CB 4.28Å; W202-L249 HydrophobicContact CZ2-CD1 4.26Å; W202-L249 HydrophobicContact CZ3-CB 3.99Å
203	E	93.6	Very high	93.8	Very high	19 Å²	19	42.1 Å²	42.1	9%	0.089	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	158.1	176.8	-87.1	-53	161.3	0	0	114	R170 N178 I182 V201 N205 M208 M212 C248 Y250	R170-E203 IonicContact CZ-OE1 3.56Å; R170-E203 IonicContact NE-OE1 3.68Å; R170-E203 IonicContact NH2-OE1 2.64Å; R170-E203 PolarHBondContact NH2-OE1 2.94Å; N178-E203 PolarHBondContact ND2-OE1 2.82Å; N178-E203 PolarHBondContact ND2-OE2 3.46Å; N178-E203 PolarHBondContact OD1-OE1 2.69Å; I182-E203 HydrophobicContact CD1-CG 4.03Å; I182-E203 WeakPolarHBondContact CD1-OE1 3.21Å; V201-E203 HydrophobicContact CG1-CG 3.97Å; E203-N205 PolarHBondContact O-N 2.82Å; E203-M208 HydrophobicContact CB-CB 3.88Å; E203-M208 HydrophobicContact CB-CG 4.19Å; E203-M208 HydrophobicContact CG-CB 4.08Å; E203-M208 HydrophobicContact CG-CE 4.22Å; E203-M208 HydrophobicContact CG-CG 4.07Å; E203-M208 WeakPolarHBondContact OE2-CG 3.3Å; E203-M212 HydrophobicContact CG-SD 4.27Å; E203-C248 PolarHBondContact N-O 3.48Å; E203-C248 PolarHBondContact O-N 3.12Å; E203-Y250 HydrophobicContact CB-CD2 3.98Å; E203-Y250 HydrophobicContact CB-CE2 3.84Å
204	R	91.1	Very high	94	Very high	91 Å²	91	49.9 Å²	49.9	34%	0.343	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	118.5	174.5	-62.7	-174.4	-163.3	176.7	6.3	111.1	E75 S206 K207 M208 E246	E75-R204 IonicContact OE2-CZ 3.92Å; E75-R204 IonicContact OE2-NH2 2.86Å; E75-R204 PolarHBondContact OE2-NH2 3.32Å; R204-S206 PolarHBondContact O-N 2.91Å; R204-K207 PolarHBondContact O-N 2.94Å; R204-K207 VanDerWaalsContact O-N 3.15Å; R204-M208 WeakPolarHBondContact O-CB 3.42Å; R204-M208 PolarHBondContact O-N 3.11Å; R204-E246 CarbonylContact C-O 3.54Å; R204-E246 WeakPolarHBondContact CA-O 3.16Å
205	N	87.3	Confident	94.3	Very high	46 Å²	46	49.5 Å²	49.5	25%	0.246	23%	0.23	C	C	.	.	H	α-helix	trans	-53	-52.2	-175.4	-159.2	20.7	0	0	0	112.9	E203 K207 M208 K209 Q219 E246 C248 Y250	E203-N205 PolarHBondContact O-N 2.82Å; N205-K207 PolarHBondContact O-N 2.87Å; N205-K207 VanDerWaalsContact O-N 3.09Å; N205-M208 PolarHBondContact O-N 3.18Å; N205-K209 WeakPolarHBondContact O-CB 3.5Å; N205-K209 PolarHBondContact O-N 3.33Å; N205-K209 VanDerWaalsContact O-N 3.15Å; N205-K209 WeakPolarHBondContact OD1-CB 3.05Å; N205-Q219 PolarHBondContact OD1-OE1 3.47Å; N205-E246 PolarHBondContact N-O 3.49Å; N205-C248 WeakPolarHBondContact CB-SG 3.26Å; N205-Y250 PolarHBondContact OD1-OH 3.01Å; N205-Y250 VanDerWaalsContact OD1-OH 3.1Å
206	S	88.6	Confident	94.6	Very high	87 Å²	87	51.9 Å²	51.9	61%	0.608	25%	0.246	S	C	*	.	H	α-helix	trans	-57.1	-27.8	-176.6	54.4	0	0	0	0	113.9	R204 E246	R204-S206 PolarHBondContact O-N 2.91Å; S206-E246 WeakPolarHBondContact CB-OE2 3.38Å; S206-E246 PolarHBondContact N-OE2 3.27Å; S206-E246 PolarHBondContact OG-OE2 3.42Å
207	K	89.2	Confident	94.9	Very high	88 Å²	88	52 Å²	52	38%	0.383	25%	0.245	S	C	.	.	H	α-helix	trans	-101.6	-29.4	-175	-66.9	-175.6	178.5	-179.6	0	113.9	R179 R204 N205	R179-K207 PolarHBondContact NH2-O 2.87Å; R204-K207 PolarHBondContact O-N 2.94Å; R204-K207 VanDerWaalsContact O-N 3.15Å; N205-K207 PolarHBondContact O-N 2.87Å; N205-K207 VanDerWaalsContact O-N 3.09Å
208	M	94.3	Very high	95	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-121.8	-16.8	-161.6	-64.5	-63.2	-78.6	0	0	114.7	R179 I182 E203 R204 N205 K210 F211 M212	R179-M208 HydrophobicContact CG-CE 3.59Å; R179-M208 HydrophobicContact CG-SD 3.78Å; I182-M208 HydrophobicContact CD1-CE 3.45Å; I182-M208 VanDerWaalsContact CD1-CE 3.45Å; E203-M208 HydrophobicContact CB-CB 3.88Å; E203-M208 HydrophobicContact CB-CG 4.19Å; E203-M208 HydrophobicContact CG-CB 4.08Å; E203-M208 HydrophobicContact CG-CE 4.22Å; E203-M208 HydrophobicContact CG-CG 4.07Å; E203-M208 WeakPolarHBondContact OE2-CG 3.3Å; R204-M208 WeakPolarHBondContact O-CB 3.42Å; R204-M208 PolarHBondContact O-N 3.11Å; N205-M208 PolarHBondContact O-N 3.18Å; M208-K210 PolarHBondContact O-N 2.96Å; M208-F211 HydrophobicContact CE-CD1 3.54Å; M208-F211 HydrophobicContact CE-CE1 3.88Å; M208-F211 HydrophobicContact CE-CG 4.45Å; M208-F211 CarbonylContact O-C 3.55Å; M208-F211 WeakPolarHBondContact O-CA 3.43Å; M208-F211 WeakPolarHBondContact O-CB 3Å; M208-F211 PolarHBondContact O-N 3.04Å; M208-F211 HydrophobicContact SD-CD1 4.42Å; M208-M212 HydrophobicContact CB-CG 4.18Å; M208-M212 WeakPolarHBondContact O-CG 3.35Å; M208-M212 PolarHBondContact O-N 2.96Å
209	K	94.9	Very high	95	Very high	84 Å²	84	58.2 Å²	58.2	37%	0.365	28%	0.275	S	S	.	.	H	α-helix	trans	-46.8	-58.6	-175	-176.6	174.6	178.2	172.4	0	114.3	N205 F211 M212 E213 Y250	N205-K209 WeakPolarHBondContact O-CB 3.5Å; N205-K209 PolarHBondContact O-N 3.33Å; N205-K209 VanDerWaalsContact O-N 3.15Å; N205-K209 WeakPolarHBondContact OD1-CB 3.05Å; K209-F211 PolarHBondContact O-N 2.03Å; K209-M212 PolarHBondContact O-N 2.95Å; K209-M212 VanDerWaalsContact O-N 3.11Å; K209-E213 WeakPolarHBondContact CE-OE1 3.35Å; K209-E213 WeakPolarHBondContact CG-OE1 3.47Å; K209-E213 WeakPolarHBondContact O-CG 3.41Å; K209-E213 PolarHBondContact O-N 2.94Å; K209-Y250 WeakPolarHBondContact CA-OH 3.41Å
210	K	96.6	Very high	94.8	Very high	167 Å²	167	60 Å²	60	73%	0.726	29%	0.286	S	S	*	.	H	α-helix	trans	-59.7	-30.8	179.6	-67.9	-174.7	179.3	-179.3	0	113.3	M208 K214	M208-K210 PolarHBondContact O-N 2.96Å; K210-K214 VanDerWaalsContact O-CG 3.24Å; K210-K214 WeakPolarHBondContact O-CG 3.36Å; K210-K214 PolarHBondContact O-N 3.01Å
211	F	97.6	Very high	94.7	Very high	35 Å²	35	61.1 Å²	61.1	15%	0.154	29%	0.292	C	S	.	.	H	α-helix	trans	-76.2	-41.6	177.7	168.1	-97.5	0	0	0	111.2	R179 I182 K183 M208 K209 K214 L215	R179-F211 HydrophobicContact CB-CD1 4.38Å; R179-F211 HydrophobicContact CB-CD2 4.17Å; R179-F211 HydrophobicContact CB-CE1 3.93Å; R179-F211 HydrophobicContact CB-CE2 3.71Å; R179-F211 HydrophobicContact CB-CG 4.48Å; R179-F211 HydrophobicContact CB-CZ 3.57Å; R179-F211 HydrophobicContact CG-CD1 3.81Å; R179-F211 HydrophobicContact CG-CD2 3.93Å; R179-F211 HydrophobicContact CG-CE1 3.84Å; R179-F211 HydrophobicContact CG-CE2 3.98Å; R179-F211 HydrophobicContact CG-CG 3.83Å; R179-F211 HydrophobicContact CG-CZ 3.93Å; R179-F211 WeakPolarHBondContact O-CZ 3.46Å; I182-F211 HydrophobicContact CB-CE1 3.98Å; I182-F211 HydrophobicContact CB-CZ 4.42Å; I182-F211 HydrophobicContact CD1-CE1 4.21Å; I182-F211 HydrophobicContact CG2-CE1 3.91Å; K183-F211 HydrophobicContact CB-CZ 4.25Å; M208-F211 HydrophobicContact CE-CD1 3.54Å; M208-F211 HydrophobicContact CE-CE1 3.88Å; M208-F211 HydrophobicContact CE-CG 4.45Å; M208-F211 CarbonylContact O-C 3.55Å; M208-F211 WeakPolarHBondContact O-CA 3.43Å; M208-F211 WeakPolarHBondContact O-CB 3Å; M208-F211 PolarHBondContact O-N 3.04Å; M208-F211 HydrophobicContact SD-CD1 4.42Å; K209-F211 PolarHBondContact O-N 2.03Å; F211-K214 WeakPolarHBondContact O-CB 3.49Å; F211-K214 PolarHBondContact O-N 3.34Å; F211-L215 HydrophobicContact CD1-CD1 4.39Å; F211-L215 HydrophobicContact CE1-CD1 3.56Å; F211-L215 HydrophobicContact CE1-CG 4.44Å; F211-L215 HydrophobicContact CE2-CD1 4.01Å; F211-L215 HydrophobicContact CE2-CG 4.29Å; F211-L215 HydrophobicContact CZ-CD1 3.33Å; F211-L215 HydrophobicContact CZ-CG 4.09Å; F211-L215 PolarHBondContact O-N 3.43Å
212	M	97.8	Very high	94.5	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-62.2	-45.4	176	-63	-52.6	-75.9	0	0	111.1	I182 V201 E203 M208 K209 K214 L215 N216 Y217 Y250	I182-M212 HydrophobicContact CD1-SD 4.29Å; I182-M212 HydrophobicContact CG2-CE 4.31Å; I182-M212 HydrophobicContact CG2-SD 4.06Å; V201-M212 HydrophobicContact CB-CE 3.9Å; V201-M212 HydrophobicContact CG1-CE 4.07Å; V201-M212 HydrophobicContact CG2-CE 4.35Å; E203-M212 HydrophobicContact CG-SD 4.27Å; M208-M212 HydrophobicContact CB-CG 4.18Å; M208-M212 WeakPolarHBondContact O-CG 3.35Å; M208-M212 PolarHBondContact O-N 2.96Å; K209-M212 PolarHBondContact O-N 2.95Å; K209-M212 VanDerWaalsContact O-N 3.11Å; M212-K214 VanDerWaalsContact C-N 3.34Å; M212-K214 PolarHBondContact O-N 2.91Å; M212-L215 CarbonylContact O-C 3.5Å; M212-L215 WeakPolarHBondContact O-CA 3.43Å; M212-L215 PolarHBondContact O-N 2.75Å; M212-N216 PolarHBondContact O-N 3.24Å; M212-Y217 HydrophobicContact CE-CD1 3.64Å; M212-Y217 HydrophobicContact CE-CD2 3.81Å; M212-Y217 HydrophobicContact CE-CE1 4.06Å; M212-Y217 HydrophobicContact CE-CE2 4.18Å; M212-Y217 HydrophobicContact CE-CG 3.52Å; M212-Y217 WeakPolarHBondContact O-CB 3.02Å; M212-Y217 PolarHBondContact O-N 3.16Å; M212-Y250 HydrophobicContact CB-CD1 3.58Å; M212-Y250 HydrophobicContact CB-CE1 3.63Å; M212-Y250 HydrophobicContact CB-CG 4.16Å; M212-Y250 HydrophobicContact CE-CD1 4.37Å; M212-Y250 HydrophobicContact CE-CD2 4.22Å; M212-Y250 HydrophobicContact CE-CG 3.82Å; M212-Y250 HydrophobicContact CG-CD1 3.88Å; M212-Y250 HydrophobicContact CG-CD2 4.15Å; M212-Y250 HydrophobicContact CG-CE1 3.91Å; M212-Y250 HydrophobicContact CG-CE2 4.19Å; M212-Y250 HydrophobicContact CG-CG 4Å
213	E	96.9	Very high	94.2	Very high	101 Å²	101	61.1 Å²	61.1	47%	0.472	29%	0.293	S	S	.	.	H	α-helix	trans	-57.6	-43.7	175.1	-72.1	168.5	175.5	0	0	111.9	K209 L215 N216	K209-E213 WeakPolarHBondContact CE-OE1 3.35Å; K209-E213 WeakPolarHBondContact CG-OE1 3.47Å; K209-E213 WeakPolarHBondContact O-CG 3.41Å; K209-E213 PolarHBondContact O-N 2.94Å; E213-L215 PolarHBondContact O-N 3.08Å; E213-N216 WeakPolarHBondContact O-CA 3.39Å; E213-N216 PolarHBondContact O-N 2.86Å
214	K	97.5	Very high	93.7	Very high	173 Å²	173	61.1 Å²	61.1	75%	0.752	30%	0.299	S	S	*	.	H	α-helix	trans	-61.7	-26.6	175.9	-77.1	175	-177.6	-170.3	0	113.7	K210 F211 M212 N216	K210-K214 VanDerWaalsContact O-CG 3.24Å; K210-K214 WeakPolarHBondContact O-CG 3.36Å; K210-K214 PolarHBondContact O-N 3.01Å; F211-K214 WeakPolarHBondContact O-CB 3.49Å; F211-K214 PolarHBondContact O-N 3.34Å; M212-K214 VanDerWaalsContact C-N 3.34Å; M212-K214 PolarHBondContact O-N 2.91Å; K214-N216 VanDerWaalsContact C-N 3.28Å
215	L	97.3	Very high	93	Very high	31 Å²	31	59.5 Å²	59.5	16%	0.162	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	9.3	174.9	-68.5	-174.9	0	0	0	112.7	I182 K183 F211 M212 E213 Y217	I182-L215 HydrophobicContact CG2-CD1 3.82Å; K183-L215 HydrophobicContact CB-CD1 4.2Å; K183-L215 HydrophobicContact CB-CD2 4.35Å; K183-L215 HydrophobicContact CG-CD2 4.08Å; F211-L215 HydrophobicContact CD1-CD1 4.39Å; F211-L215 HydrophobicContact CE1-CD1 3.56Å; F211-L215 HydrophobicContact CE1-CG 4.44Å; F211-L215 HydrophobicContact CE2-CD1 4.01Å; F211-L215 HydrophobicContact CE2-CG 4.29Å; F211-L215 HydrophobicContact CZ-CD1 3.33Å; F211-L215 HydrophobicContact CZ-CG 4.09Å; F211-L215 PolarHBondContact O-N 3.43Å; M212-L215 CarbonylContact O-C 3.5Å; M212-L215 WeakPolarHBondContact O-CA 3.43Å; M212-L215 PolarHBondContact O-N 2.75Å; E213-L215 PolarHBondContact O-N 3.08Å; L215-Y217 HydrophobicContact CB-CD2 3.69Å; L215-Y217 HydrophobicContact CB-CE2 3.98Å; L215-Y217 HydrophobicContact CD1-CE2 4.29Å; L215-Y217 PolarHBondContact O-N 2.87Å
216	N	97.4	Very high	92.1	Very high	130 Å²	130	67 Å²	67	70%	0.695	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	24.5	-175.8	-55.5	-54.5	0	0	0	114.3	M212 E213 K214 L252	M212-N216 PolarHBondContact O-N 3.24Å; E213-N216 WeakPolarHBondContact O-CA 3.39Å; E213-N216 PolarHBondContact O-N 2.86Å; K214-N216 VanDerWaalsContact C-N 3.28Å; N216-L252 HydrophobicContact CB-CD1 4.19Å; N216-L252 WeakPolarHBondContact O-CD1 3.49Å
217	Y	97.9	Very high	91	Very high	6 Å²	6	65.4 Å²	65.4	2%	0.024	32%	0.321	C	S	.	.			trans	-75	135.5	164.7	-76.7	-99.6	0	0	0	109.4	I182 A186 H199 V201 M212 L215 R251 L252	I182-Y217 HydrophobicContact CG2-CE2 4.25Å; A186-Y217 HydrophobicContact CB-CE2 3.95Å; H199-Y217 PolarHBondContact CE1-OH 3.28Å; H199-Y217 AromaticContact ND1-CE1 3.84Å; H199-Y217 AromaticContact ND1-CZ 3.73Å; H199-Y217 PolarHBondContact ND1-OH 3.48Å; V201-Y217 HydrophobicContact CB-CE1 4.29Å; V201-Y217 HydrophobicContact CG2-CD1 4.44Å; V201-Y217 HydrophobicContact CG2-CE1 3.56Å; M212-Y217 HydrophobicContact CE-CD1 3.64Å; M212-Y217 HydrophobicContact CE-CD2 3.81Å; M212-Y217 HydrophobicContact CE-CE1 4.06Å; M212-Y217 HydrophobicContact CE-CE2 4.18Å; M212-Y217 HydrophobicContact CE-CG 3.52Å; M212-Y217 WeakPolarHBondContact O-CB 3.02Å; M212-Y217 PolarHBondContact O-N 3.16Å; L215-Y217 HydrophobicContact CB-CD2 3.69Å; L215-Y217 HydrophobicContact CB-CE2 3.98Å; L215-Y217 HydrophobicContact CD1-CE2 4.29Å; L215-Y217 PolarHBondContact O-N 2.87Å; Y217-R251 CarbonylContact C-O 3.55Å; Y217-R251 VanDerWaalsContact CA-O 3.27Å; Y217-R251 WeakPolarHBondContact CA-O 3.48Å; Y217-R251 VanDerWaalsContact CD1-C 3.43Å; Y217-L252 HydrophobicContact CD1-CB 3.56Å; Y217-L252 HydrophobicContact CD2-CB 4.12Å; Y217-L252 HydrophobicContact CD2-CD2 4.46Å; Y217-L252 HydrophobicContact CE1-CB 3.36Å; Y217-L252 HydrophobicContact CE1-CD2 4.47Å; Y217-L252 HydrophobicContact CE2-CB 3.98Å; Y217-L252 HydrophobicContact CE2-CD2 3.83Å; Y217-L252 HydrophobicContact CE2-CG 4.44Å; Y217-L252 HydrophobicContact CG-CB 3.93Å
218	E	95.8	Very high	90.1	Very high	77 Å²	77	72 Å²	72	36%	0.36	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	141.2	165.5	73.9	-157.7	133.6	0	0	109.7	V220 Y250 R251 I253	E218-V220 HydrophobicContact CG-CG2 4.37Å; E218-V220 PolarHBondContact O-N 3.21Å; E218-Y250 CarbonylContact O-C 3.55Å; E218-Y250 WeakPolarHBondContact O-CA 3.33Å; E218-R251 HydrophobicContact CG-CB 4.06Å; E218-R251 PolarHBondContact N-O 3.29Å; E218-R251 PolarHBondContact O-N 3.48Å; E218-R251 IonicContact OE1-CZ 3.06Å; E218-R251 IonicContact OE1-NE 2.65Å; E218-R251 PolarHBondContact OE1-NE 2.77Å; E218-R251 IonicContact OE1-NH2 2.73Å; E218-R251 PolarHBondContact OE1-NH2 2.93Å; E218-R251 IonicContact OE2-NH2 3.13Å; E218-R251 PolarHBondContact OE2-NH2 3.24Å; E218-R251 VanDerWaalsContact OE2-NH2 3.13Å; E218-I253 WeakPolarHBondContact OE1-CD1 3.22Å
219	Q	95.6	Very high	89.7	Confident	75 Å²	75	79.5 Å²	79.5	35%	0.35	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	114.4	168.8	-170.9	-166.4	-66.1	0	0	107.9	N205 C222 C248 Y250	N205-Q219 PolarHBondContact OD1-OE1 3.47Å; Q219-C222 PolarHBondContact NE2-SG 2.98Å; Q219-C248 HydrophobicContact CG-CB 4.24Å; Q219-Y250 HydrophobicContact CB-CD1 3.94Å; Q219-Y250 HydrophobicContact CB-CE1 3.66Å; Q219-Y250 HydrophobicContact CG-CD1 4.33Å; Q219-Y250 HydrophobicContact CG-CE1 3.85Å
220	V	94.5	Very high	89.6	Confident	37 Å²	37	76.3 Å²	76.3	22%	0.224	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	-56.3	-179.3	-178.6	0	0	0	0	110	W151 A152 E218 L249 R251	W151-V220 HydrophobicContact CZ3-CG1 4.06Å; A152-V220 HydrophobicContact CB-CG1 3.97Å; E218-V220 HydrophobicContact CG-CG2 4.37Å; E218-V220 PolarHBondContact O-N 3.21Å; V220-L249 HydrophobicContact CB-CB 4.44Å; V220-L249 HydrophobicContact CB-CD2 4.38Å; V220-L249 HydrophobicContact CB-CG 4.36Å; V220-L249 HydrophobicContact CG1-CD2 4.5Å; V220-L249 HydrophobicContact CG2-CG 4.45Å; V220-L249 PolarHBondContact N-O 3.35Å; V220-R251 HydrophobicContact CG2-CB 3.63Å
221	I	94.3	Very high	89.4	Confident	25 Å²	25	68.7 Å²	68.7	13%	0.128	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	156.8	-175.2	-163.4	68.2	0	0	0	109.4	W151 C232 C248 L249	W151-I221 HydrophobicContact CH2-CB 4.38Å; W151-I221 HydrophobicContact CH2-CD1 4.5Å; W151-I221 HydrophobicContact CH2-CG1 4.42Å; W151-I221 HydrophobicContact CZ3-CB 4.17Å; W151-I221 HydrophobicContact CZ3-CG2 4.02Å; I221-C232 HydrophobicContact CG2-CB 3.51Å; I221-C248 CarbonylContact O-C 3.58Å; I221-C248 VanDerWaalsContact O-CA 3.27Å; I221-C248 WeakPolarHBondContact O-CA 3.48Å; I221-L249 HydrophobicContact CG2-CB 4.31Å; I221-L249 PolarHBondContact O-N 2.87Å
222	C	92.2	Very high	89.2	Confident	9 Å²	9	67 Å²	67	6%	0.061	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	156.5	168.5	-55.2	0	0	0	0	109.3	Q219 T225 N230 Q247 C248	Q219-C222 PolarHBondContact NE2-SG 2.98Å; C222-T225 HydrophobicContact CB-CG2 4.26Å; C222-T225 PolarHBondContact O-OG1 2.85Å; C222-N230 PolarHBondContact O-ND2 3.34Å; C222-Q247 WeakPolarHBondContact CA-O 3Å; C222-C248 HydrophobicContact CB-CB 4.04Å; C222-C248 WeakPolarHBondContact CB-SG 3.17Å; C222-C248 WeakPolarHBondContact SG-CB 3.46Å; C222-C248 CovalentContact SG-SG 2.03Å; C222-C248 PolarHBondContact SG-SG 2.97Å
223	G	88.7	Confident	89.1	Confident	1 Å²	1	68 Å²	68	1%	0.01	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	161.9	172.2	0	0	0	0	0	112.3	T225 A244 K245 Q247	G223-T225 PolarHBondContact O-N 3.18Å; G223-A244 VanDerWaalsContact CA-O 3.26Å; G223-A244 WeakPolarHBondContact CA-O 3.27Å; G223-A244 PolarHBondContact N-O 3.37Å; G223-K245 VanDerWaalsContact O-CA 3.26Å; G223-K245 WeakPolarHBondContact O-CA 3.1Å; G223-Q247 PolarHBondContact N-O 3.24Å
224	G	82.6	Confident	88.8	Confident	20 Å²	20	63.5 Å²	63.5	21%	0.206	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	60	15.9	174	0	0	0	0	0	115.9	D233 K245	G224-D233 WeakPolarHBondContact CA-OD2 3.05Å; G224-D233 VanDerWaalsContact N-CG 3.33Å; G224-D233 PolarHBondContact N-OD1 3.25Å; G224-D233 PolarHBondContact N-OD2 3.43Å; G224-K245 VanDerWaalsContact O-CE 3.22Å; G224-K245 WeakPolarHBondContact O-CE 2.94Å
225	T	75.8	Confident	88.5	Confident	57 Å²	57	57.5 Å²	57.5	35%	0.35	29%	0.289	S	S	.	.			trans	-74.3	138.9	169.3	52	0	0	0	0	109.4	C222 G223 S227 N230	C222-T225 HydrophobicContact CB-CG2 4.26Å; C222-T225 PolarHBondContact O-OG1 2.85Å; G223-T225 PolarHBondContact O-N 3.18Å; T225-S227 PolarHBondContact O-N 2.03Å; T225-S227 PolarHBondContact O-OG 3.26Å; T225-S227 PolarHBondContact OG1-OG 3.1Å; T225-S227 VanDerWaalsContact OG1-OG 3.12Å; T225-N230 PolarHBondContact OG1-ND2 3.3Å
226	E	68.2	Low	88.3	Confident	204 Å²	204	61.5 Å²	61.5	95%	0.953	31%	0.31	S	S	*	.			trans	-67.8	18.7	-179.5	-62.3	-179.5	177.8	0	0	114.3
227	S	66.2	Low	88	Confident	52 Å²	52	56.9 Å²	56.9	36%	0.364	28%	0.284	S	S	.	.			trans	-62	135.6	171.2	49.7	0	0	0	0	110.5	T225 Y229	T225-S227 PolarHBondContact O-N 2.03Å; T225-S227 PolarHBondContact O-OG 3.26Å; T225-S227 PolarHBondContact OG1-OG 3.1Å; T225-S227 VanDerWaalsContact OG1-OG 3.12Å; S227-Y229 PolarHBondContact O-N 3.15Å
228	F	70.2	Confident	87.5	Confident	227 Å²	227	59.8 Å²	59.8	100%	0.996	32%	0.316	S	S	*	.	S	Bend	trans	-57.1	-26.3	-177.4	-139.2	-88.7	0	0	0	113.8
229	Y	86.9	Confident	87.2	Confident	159 Å²	159	56.5 Å²	56.5	62%	0.624	30%	0.301	S	S	*	.			trans	-146.4	118.6	176.3	-176.6	-107.5	0	0	0	111	S227 P231	S227-Y229 PolarHBondContact O-N 3.15Å; Y229-P231 HydrophobicContact CD1-CG 4.41Å; Y229-P231 HydrophobicContact CE1-CB 4.09Å; Y229-P231 HydrophobicContact CE1-CG 3.78Å
230	N	91.6	Very high	86.9	Confident	16 Å²	16	57.7 Å²	57.7	9%	0.086	31%	0.307	C	S	.	.			trans	-133.2	94	176.2	-176.7	-1	0	0	0	110.1	C222 T225 C232 D233	C222-N230 PolarHBondContact O-ND2 3.34Å; T225-N230 PolarHBondContact OG1-ND2 3.3Å; N230-C232 PolarHBondContact O-N 3.28Å; N230-C232 WeakPolarHBondContact OD1-CA 3.48Å; N230-C232 WeakPolarHBondContact OD1-CB 3.34Å; N230-C232 PolarHBondContact OD1-N 3.36Å; N230-D233 HydrophobicContact CB-CB 4.22Å; N230-D233 PolarHBondContact O-N 3.28Å; N230-D233 PolarHBondContact OD1-N 2.98Å
231	P	93.1	Very high	86.6	Confident	8 Å²	8	59.7 Å²	59.7	5%	0.052	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-6.7	179.2	29.7	-32.3	0	0	0	112.9	F144 W151 Y229	F144-P231 WeakPolarHBondContact CE2-O 3.46Å; W151-P231 HydrophobicContact CB-CG 3.5Å; W151-P231 HydrophobicContact CD2-CG 3.51Å; W151-P231 HydrophobicContact CE3-CG 3.9Å; W151-P231 HydrophobicContact CG-CG 3.32Å; Y229-P231 HydrophobicContact CD1-CG 4.41Å; Y229-P231 HydrophobicContact CE1-CB 4.09Å; Y229-P231 HydrophobicContact CE1-CG 3.78Å
232	C	93.8	Very high	86.4	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	9	179	-65.4	0	0	0	0	112.4	C148 W202 I221 N230 W234	C148-C232 WeakPolarHBondContact CA-SG 3.32Å; C148-C232 HydrophobicContact CB-CB 3.95Å; C148-C232 WeakPolarHBondContact CB-SG 3.41Å; C148-C232 VanDerWaalsContact SG-CA 3.53Å; C148-C232 WeakPolarHBondContact SG-CB 3.28Å; C148-C232 CovalentContact SG-SG 2.03Å; C148-C232 PolarHBondContact SG-SG 3.18Å; W202-C232 HydrophobicContact CH2-CB 3.87Å; W202-C232 WeakPolarHBondContact CH2-O 3.35Å; I221-C232 HydrophobicContact CG2-CB 3.51Å; N230-C232 PolarHBondContact O-N 3.28Å; N230-C232 WeakPolarHBondContact OD1-CA 3.48Å; N230-C232 WeakPolarHBondContact OD1-CB 3.34Å; N230-C232 PolarHBondContact OD1-N 3.36Å; C232-W234 PolarHBondContact O-N 3.02Å
233	D	94	Very high	86.2	Confident	19 Å²	19	69.6 Å²	69.6	10%	0.102	36%	0.362	C	S	.	.			trans	-79.5	112.4	178.7	-163.8	-27.1	0	0	0	111.4	F144 G224 N230 T235 L236	F144-D233 WeakPolarHBondContact CE2-O 3.15Å; G224-D233 WeakPolarHBondContact CA-OD2 3.05Å; G224-D233 VanDerWaalsContact N-CG 3.33Å; G224-D233 PolarHBondContact N-OD1 3.25Å; G224-D233 PolarHBondContact N-OD2 3.43Å; N230-D233 HydrophobicContact CB-CB 4.22Å; N230-D233 PolarHBondContact O-N 3.28Å; N230-D233 PolarHBondContact OD1-N 2.98Å; D233-T235 PolarHBondContact O-N 3.02Å; D233-T235 VanDerWaalsContact O-N 3.1Å; D233-T235 WeakPolarHBondContact OD1-CB 3.26Å; D233-T235 WeakPolarHBondContact OD1-CG2 3.28Å; D233-T235 PolarHBondContact OD1-N 3.03Å; D233-T235 PolarHBondContact OD1-OG1 3.15Å; D233-T235 PolarHBondContact OD2-OG1 3.33Å; D233-L236 HydrophobicContact CB-CG 4.43Å; D233-L236 VanDerWaalsContact O-CB 3.26Å; D233-L236 WeakPolarHBondContact O-CB 3.28Å; D233-L236 VanDerWaalsContact O-CG 3.28Å; D233-L236 WeakPolarHBondContact O-CG 3.39Å; D233-L236 PolarHBondContact O-N 2.94Å
234	W	91.5	Very high	86.3	Confident	7 Å²	7	69.6 Å²	69.6	3%	0.027	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-63.3	-13.6	178.9	-78.3	89.6	0	0	0	114.2	K77 V141 F144 V145 W202 C232 L236 M237 L239 A244	K77-W234 HydrophobicContact CB-CE3 4.26Å; K77-W234 HydrophobicContact CB-CH2 4.08Å; K77-W234 HydrophobicContact CB-CZ3 3.85Å; K77-W234 HydrophobicContact CD-CD2 4.03Å; K77-W234 HydrophobicContact CD-CE3 4.22Å; K77-W234 HydrophobicContact CD-CH2 3.7Å; K77-W234 HydrophobicContact CD-CZ2 3.48Å; K77-W234 VanDerWaalsContact CD-CZ2 3.48Å; K77-W234 HydrophobicContact CD-CZ3 4.06Å; K77-W234 VanDerWaalsContact CE-CE2 3.41Å; K77-W234 HydrophobicContact CG-CD2 3.93Å; K77-W234 HydrophobicContact CG-CE3 3.78Å; K77-W234 HydrophobicContact CG-CH2 3.97Å; K77-W234 HydrophobicContact CG-CZ2 4.12Å; K77-W234 HydrophobicContact CG-CZ3 3.79Å; V141-W234 HydrophobicContact CG1-CH2 4.18Å; V141-W234 HydrophobicContact CG1-CZ3 4.38Å; F144-W234 HydrophobicContact CD1-CE3 4.48Å; F144-W234 HydrophobicContact CD1-CH2 4.26Å; F144-W234 HydrophobicContact CD1-CZ2 4.43Å; F144-W234 HydrophobicContact CD1-CZ3 4.29Å; F144-W234 AromaticContact CE1-CD2 3.67Å; F144-W234 HydrophobicContact CE1-CD2 3.67Å; F144-W234 AromaticContact CE1-CE2 3.58Å; F144-W234 AromaticContact CE1-CE3 3.88Å; F144-W234 HydrophobicContact CE1-CE3 3.88Å; F144-W234 HydrophobicContact CE1-CG 4.24Å; F144-W234 AromaticContact CE1-CH2 3.94Å; F144-W234 HydrophobicContact CE1-CH2 3.94Å; F144-W234 AromaticContact CE1-CZ2 3.72Å; F144-W234 HydrophobicContact CE1-CZ2 3.72Å; F144-W234 HydrophobicContact CE1-CZ3 4.02Å; F144-W234 HydrophobicContact CZ-CD2 4.09Å; F144-W234 HydrophobicContact CZ-CG 4.17Å; V145-W234 HydrophobicContact CG1-CH2 4.08Å; V145-W234 HydrophobicContact CG1-CZ2 4.07Å; W202-W234 AromaticContact CD2-NE1 3.92Å; W202-W234 AromaticContact CE2-NE1 3.93Å; W202-W234 AromaticContact CE3-NE1 3.63Å; W202-W234 AromaticContact CH2-CD1 3.87Å; W202-W234 AromaticContact CH2-NE1 3.34Å; W202-W234 VanDerWaalsContact CH2-NE1 3.34Å; W202-W234 AromaticContact CZ2-NE1 3.66Å; W202-W234 AromaticContact CZ3-CD1 3.72Å; W202-W234 AromaticContact CZ3-NE1 3.34Å; W202-W234 VanDerWaalsContact CZ3-NE1 3.34Å; C232-W234 PolarHBondContact O-N 3.02Å; W234-L236 PolarHBondContact O-N 3.28Å; W234-M237 HydrophobicContact CE3-CB 4.17Å; W234-M237 HydrophobicContact CE3-CG 4.27Å; W234-M237 HydrophobicContact CZ3-CG 4.45Å; W234-M237 PolarHBondContact O-N 3.37Å; W234-L239 HydrophobicContact CB-CB 3.89Å; W234-L239 HydrophobicContact CB-CD2 3.58Å; W234-L239 HydrophobicContact CB-CG 4.38Å; W234-L239 HydrophobicContact CG-CD2 4.22Å; W234-L239 VanDerWaalsContact O-CB 3.28Å; W234-L239 WeakPolarHBondContact O-CB 3.45Å; W234-L239 PolarHBondContact O-N 3.09Å; W234-A244 HydrophobicContact CB-CB 4.26Å
235	T	91.7	Very high	86.7	Confident	48 Å²	48	74.3 Å²	74.3	29%	0.294	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-60.7	-27.2	169.3	57.8	0	0	0	0	112.5	D233 M237 G238 L239 P241 A244	D233-T235 PolarHBondContact O-N 3.02Å; D233-T235 VanDerWaalsContact O-N 3.1Å; D233-T235 WeakPolarHBondContact OD1-CB 3.26Å; D233-T235 WeakPolarHBondContact OD1-CG2 3.28Å; D233-T235 PolarHBondContact OD1-N 3.03Å; D233-T235 PolarHBondContact OD1-OG1 3.15Å; D233-T235 PolarHBondContact OD2-OG1 3.33Å; T235-M237 PolarHBondContact O-N 3.3Å; T235-G238 PolarHBondContact O-N 3.18Å; T235-L239 WeakPolarHBondContact CA-O 3.21Å; T235-L239 WeakPolarHBondContact CG2-O 3.36Å; T235-P241 HydrophobicContact CG2-CB 4.2Å; T235-P241 HydrophobicContact CG2-CG 4.06Å; T235-A244 HydrophobicContact CG2-CB 3.65Å
236	L	91.8	Very high	87.4	Confident	114 Å²	114	74.9 Å²	74.9	60%	0.597	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-62.8	-21.4	173	-60.6	175.4	0	0	0	112.7	F144 D233 W234	F144-L236 HydrophobicContact CD2-CB 4.41Å; F144-L236 HydrophobicContact CE2-CB 4.36Å; F144-L236 HydrophobicContact CE2-CD1 4.27Å; D233-L236 HydrophobicContact CB-CG 4.43Å; D233-L236 VanDerWaalsContact O-CB 3.26Å; D233-L236 WeakPolarHBondContact O-CB 3.28Å; D233-L236 VanDerWaalsContact O-CG 3.28Å; D233-L236 WeakPolarHBondContact O-CG 3.39Å; D233-L236 PolarHBondContact O-N 2.94Å; W234-L236 PolarHBondContact O-N 3.28Å
237	M	90.8	Very high	88.5	Confident	34 Å²	34	65.6 Å²	65.6	17%	0.167	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-100.3	7.8	175.5	-61.1	-52.5	-57.2	0	0	112.8	L81 V141 F144 W234 T235	L81-M237 HydrophobicContact CD2-CB 4.43Å; L81-M237 WeakPolarHBondContact CD2-O 3.48Å; V141-M237 HydrophobicContact CB-CE 4.49Å; V141-M237 HydrophobicContact CG2-CE 3.83Å; F144-M237 HydrophobicContact CB-CG 3.98Å; F144-M237 HydrophobicContact CB-SD 3.49Å; F144-M237 WeakPolarHBondContact CB-SD 3.46Å; F144-M237 HydrophobicContact CD1-CG 3.66Å; F144-M237 HydrophobicContact CD1-SD 4.33Å; F144-M237 HydrophobicContact CD2-CG 3.96Å; F144-M237 HydrophobicContact CD2-SD 4.24Å; F144-M237 HydrophobicContact CE1-CG 4.13Å; F144-M237 HydrophobicContact CE2-CG 4.38Å; F144-M237 HydrophobicContact CG-CG 3.57Å; F144-M237 HydrophobicContact CG-SD 3.77Å; F144-M237 HydrophobicContact CZ-CG 4.47Å; W234-M237 HydrophobicContact CE3-CB 4.17Å; W234-M237 HydrophobicContact CE3-CG 4.27Å; W234-M237 HydrophobicContact CZ3-CG 4.45Å; W234-M237 PolarHBondContact O-N 3.37Å; T235-M237 PolarHBondContact O-N 3.3Å
238	G	88.7	Confident	89.8	Confident	67 Å²	67	63.1 Å²	63.1	69%	0.691	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.6	7.3	179.1	0	0	0	0	0	114.9	T235	T235-G238 PolarHBondContact O-N 3.18Å
239	L	88.7	Confident	91	Very high	8 Å²	8	52.3 Å²	52.3	4%	0.042	27%	0.267	C	S	.	.			trans	-68.8	139.4	175.1	-167.2	66.2	0	0	0	110.5	A76 W234 T235 K243 A244 Q247	A76-L239 HydrophobicContact CB-CD1 3.68Å; W234-L239 HydrophobicContact CB-CB 3.89Å; W234-L239 HydrophobicContact CB-CD2 3.58Å; W234-L239 HydrophobicContact CB-CG 4.38Å; W234-L239 HydrophobicContact CG-CD2 4.22Å; W234-L239 VanDerWaalsContact O-CB 3.28Å; W234-L239 WeakPolarHBondContact O-CB 3.45Å; W234-L239 PolarHBondContact O-N 3.09Å; T235-L239 WeakPolarHBondContact CA-O 3.21Å; T235-L239 WeakPolarHBondContact CG2-O 3.36Å; L239-K243 HydrophobicContact CD1-CB 4.07Å; L239-K243 HydrophobicContact CD1-CD 3.95Å; L239-K243 HydrophobicContact CD2-CB 4.01Å; L239-K243 HydrophobicContact CG-CB 3.86Å; L239-A244 HydrophobicContact CD2-CB 4.25Å; L239-Q247 HydrophobicContact CD2-CG 4.13Å
240	E	89.3	Confident	91.5	Very high	100 Å²	100	44.8 Å²	44.8	47%	0.467	24%	0.237	S	C	.	.			trans	-56	135.4	176.8	-170.9	-167.3	162.4	0	0	111.1	K242 K243 A244	E240-K242 PolarHBondContact O-N 3Å; E240-K242 VanDerWaalsContact O-N 3.07Å; E240-K243 HydrophobicContact CB-CB 4.47Å; E240-K243 HydrophobicContact CB-CD 4.35Å; E240-K243 HydrophobicContact CB-CG 4.35Å; E240-K243 WeakPolarHBondContact O-CA 3.14Å; E240-K243 WeakPolarHBondContact O-CB 3.45Å; E240-K243 PolarHBondContact O-N 3.01Å; E240-A244 PolarHBondContact O-N 3.1Å
241	P	89.3	Confident	91.8	Very high	79 Å²	79	45.3 Å²	45.3	51%	0.513	24%	0.238	S	C	.	.	H	α-helix	trans	-51.9	-37.2	-177.8	-30.3	35.3	0	0	0	114.5	T235 A244 K245	T235-P241 HydrophobicContact CG2-CB 4.2Å; T235-P241 HydrophobicContact CG2-CG 4.06Å; P241-A244 PolarHBondContact O-N 2.94Å; P241-K245 WeakPolarHBondContact O-CG 3.45Å; P241-K245 PolarHBondContact O-N 3.07Å
242	K	88.8	Confident	92	Very high	163 Å²	163	45.1 Å²	45.1	71%	0.709	24%	0.237	S	C	*	.	H	α-helix	trans	-64	-41.9	176.9	-174.1	179.7	178.5	-178.3	0	112.2	E240	E240-K242 PolarHBondContact O-N 3Å; E240-K242 VanDerWaalsContact O-N 3.07Å
243	K	88.4	Confident	92	Very high	79 Å²	79	46.4 Å²	46.4	34%	0.343	24%	0.243	S	C	.	.	H	α-helix	trans	-70.4	-40.6	175.8	-68.3	179.6	-179.9	174.1	0	110.8	A76 D80 L239 E240 K245 E246 Q247	A76-K243 HydrophobicContact CB-CD 4.04Å; D80-K243 IonicContact OD1-NZ 3.69Å; D80-K243 IonicContact OD2-NZ 2.67Å; D80-K243 PolarHBondContact OD2-NZ 3.5Å; L239-K243 HydrophobicContact CD1-CB 4.07Å; L239-K243 HydrophobicContact CD1-CD 3.95Å; L239-K243 HydrophobicContact CD2-CB 4.01Å; L239-K243 HydrophobicContact CG-CB 3.86Å; E240-K243 HydrophobicContact CB-CB 4.47Å; E240-K243 HydrophobicContact CB-CD 4.35Å; E240-K243 HydrophobicContact CB-CG 4.35Å; E240-K243 WeakPolarHBondContact O-CA 3.14Å; E240-K243 WeakPolarHBondContact O-CB 3.45Å; E240-K243 PolarHBondContact O-N 3.01Å; K243-K245 VanDerWaalsContact C-N 3.34Å; K243-K245 PolarHBondContact O-N 3.2Å; K243-E246 PolarHBondContact O-N 3.01Å; K243-Q247 WeakPolarHBondContact O-CG 3.37Å
244	A	90.6	Very high	92	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-61.8	-38.3	178.4	0	0	0	0	0	112.7	G223 W234 T235 L239 E240 P241 E246 Q247	G223-A244 VanDerWaalsContact CA-O 3.26Å; G223-A244 WeakPolarHBondContact CA-O 3.27Å; G223-A244 PolarHBondContact N-O 3.37Å; W234-A244 HydrophobicContact CB-CB 4.26Å; T235-A244 HydrophobicContact CG2-CB 3.65Å; L239-A244 HydrophobicContact CD2-CB 4.25Å; E240-A244 PolarHBondContact O-N 3.1Å; P241-A244 PolarHBondContact O-N 2.94Å; A244-E246 PolarHBondContact O-N 3.19Å; A244-Q247 WeakPolarHBondContact O-CB 3.38Å; A244-Q247 PolarHBondContact O-N 3.06Å
245	K	91	Very high	92	Very high	119 Å²	119	53 Å²	53	52%	0.517	27%	0.271	S	S	.	.	H	α-helix	trans	-58.7	-29.7	175.1	-77.7	177.8	179.3	-173.8	0	114.7	G223 G224 P241 K243	G223-K245 VanDerWaalsContact O-CA 3.26Å; G223-K245 WeakPolarHBondContact O-CA 3.1Å; G224-K245 VanDerWaalsContact O-CE 3.22Å; G224-K245 WeakPolarHBondContact O-CE 2.94Å; P241-K245 WeakPolarHBondContact O-CG 3.45Å; P241-K245 PolarHBondContact O-N 3.07Å; K243-K245 VanDerWaalsContact C-N 3.34Å; K243-K245 PolarHBondContact O-N 3.2Å
246	E	90.6	Very high	91.7	Very high	70 Å²	70	56 Å²	56	33%	0.327	28%	0.28	S	S	.	.	H	α-helix	trans	-78.8	-22.6	175.4	-70.6	-64.9	140.1	0	0	112.3	R204 N205 S206 K243 A244 C248	R204-E246 CarbonylContact C-O 3.54Å; R204-E246 WeakPolarHBondContact CA-O 3.16Å; N205-E246 PolarHBondContact N-O 3.49Å; S206-E246 WeakPolarHBondContact CB-OE2 3.38Å; S206-E246 PolarHBondContact N-OE2 3.27Å; S206-E246 PolarHBondContact OG-OE2 3.42Å; K243-E246 PolarHBondContact O-N 3.01Å; A244-E246 PolarHBondContact O-N 3.19Å; E246-C248 PolarHBondContact O-N 3.24Å
247	Q	91.2	Very high	90.6	Very high	9 Å²	9	54.1 Å²	54.1	4%	0.042	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	105	-177.7	-58.6	-58	-39.4	0	0	110.5	K77 W202 C222 G223 L239 K243 A244	K77-Q247 VanDerWaalsContact CE-CD 3.43Å; W202-Q247 HydrophobicContact CE3-CB 4.36Å; W202-Q247 HydrophobicContact CZ3-CB 4.4Å; C222-Q247 WeakPolarHBondContact CA-O 3Å; G223-Q247 PolarHBondContact N-O 3.24Å; L239-Q247 HydrophobicContact CD2-CG 4.13Å; K243-Q247 WeakPolarHBondContact O-CG 3.37Å; A244-Q247 WeakPolarHBondContact O-CB 3.38Å; A244-Q247 PolarHBondContact O-N 3.06Å
248	C	94.1	Very high	89.1	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	140.7	175.4	-53.6	0	0	0	0	111.5	W202 E203 N205 Q219 I221 C222 E246 Y250	W202-C248 WeakPolarHBondContact CA-O 3.26Å; E203-C248 PolarHBondContact N-O 3.48Å; E203-C248 PolarHBondContact O-N 3.12Å; N205-C248 WeakPolarHBondContact CB-SG 3.26Å; Q219-C248 HydrophobicContact CG-CB 4.24Å; I221-C248 CarbonylContact O-C 3.58Å; I221-C248 VanDerWaalsContact O-CA 3.27Å; I221-C248 WeakPolarHBondContact O-CA 3.48Å; C222-C248 HydrophobicContact CB-CB 4.04Å; C222-C248 WeakPolarHBondContact CB-SG 3.17Å; C222-C248 WeakPolarHBondContact SG-CB 3.46Å; C222-C248 CovalentContact SG-SG 2.03Å; C222-C248 PolarHBondContact SG-SG 2.97Å; E246-C248 PolarHBondContact O-N 3.24Å; C248-Y250 HydrophobicContact CB-CD2 4.26Å; C248-Y250 HydrophobicContact CB-CE2 3.61Å
249	L	95.7	Very high	86.9	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	126.3	168.8	-178.6	64.5	0	0	0	108.9	Y149 A152 Y200 W202 V220 I221	Y149-L249 HydrophobicContact CD1-CD1 4.36Å; Y149-L249 HydrophobicContact CD1-CD2 4.39Å; Y149-L249 HydrophobicContact CE1-CD1 3.85Å; A152-L249 HydrophobicContact CB-CD2 3.51Å; Y200-L249 HydrophobicContact CD1-CD1 3.93Å; Y200-L249 HydrophobicContact CD1-CD2 4.12Å; Y200-L249 HydrophobicContact CD1-CG 4.13Å; Y200-L249 HydrophobicContact CE1-CD2 4.26Å; Y200-L249 HydrophobicContact CG-CD1 4.19Å; W202-L249 HydrophobicContact CD2-CB 4.4Å; W202-L249 HydrophobicContact CD2-CD1 4.16Å; W202-L249 HydrophobicContact CE3-CB 4.17Å; W202-L249 HydrophobicContact CG-CD1 4.45Å; W202-L249 HydrophobicContact CH2-CB 4.07Å; W202-L249 HydrophobicContact CZ2-CB 4.28Å; W202-L249 HydrophobicContact CZ2-CD1 4.26Å; W202-L249 HydrophobicContact CZ3-CB 3.99Å; V220-L249 HydrophobicContact CB-CB 4.44Å; V220-L249 HydrophobicContact CB-CD2 4.38Å; V220-L249 HydrophobicContact CB-CG 4.36Å; V220-L249 HydrophobicContact CG1-CD2 4.5Å; V220-L249 HydrophobicContact CG2-CG 4.45Å; V220-L249 PolarHBondContact N-O 3.35Å; I221-L249 HydrophobicContact CG2-CB 4.31Å; I221-L249 PolarHBondContact O-N 2.87Å
250	Y	97.3	Very high	84.5	Confident	1 Å²	1	73.7 Å²	73.7	0%	0.004	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	147.5	173.2	-67.8	-92.5	0	0	0	110	Y200 V201 E203 N205 K209 M212 E218 Q219 C248	Y200-Y250 CarbonylContact C-O 3.47Å; Y200-Y250 VanDerWaalsContact CA-O 3.31Å; Y200-Y250 WeakPolarHBondContact CA-O 3.49Å; V201-Y250 PolarHBondContact N-O 2.9Å; V201-Y250 PolarHBondContact O-N 2.78Å; E203-Y250 HydrophobicContact CB-CD2 3.98Å; E203-Y250 HydrophobicContact CB-CE2 3.84Å; N205-Y250 PolarHBondContact OD1-OH 3.01Å; N205-Y250 VanDerWaalsContact OD1-OH 3.1Å; K209-Y250 WeakPolarHBondContact CA-OH 3.41Å; M212-Y250 HydrophobicContact CB-CD1 3.58Å; M212-Y250 HydrophobicContact CB-CE1 3.63Å; M212-Y250 HydrophobicContact CB-CG 4.16Å; M212-Y250 HydrophobicContact CE-CD1 4.37Å; M212-Y250 HydrophobicContact CE-CD2 4.22Å; M212-Y250 HydrophobicContact CE-CG 3.82Å; M212-Y250 HydrophobicContact CG-CD1 3.88Å; M212-Y250 HydrophobicContact CG-CD2 4.15Å; M212-Y250 HydrophobicContact CG-CE1 3.91Å; M212-Y250 HydrophobicContact CG-CE2 4.19Å; M212-Y250 HydrophobicContact CG-CG 4Å; E218-Y250 CarbonylContact O-C 3.55Å; E218-Y250 WeakPolarHBondContact O-CA 3.33Å; Q219-Y250 HydrophobicContact CB-CD1 3.94Å; Q219-Y250 HydrophobicContact CB-CE1 3.66Å; Q219-Y250 HydrophobicContact CG-CD1 4.33Å; Q219-Y250 HydrophobicContact CG-CE1 3.85Å; C248-Y250 HydrophobicContact CB-CD2 4.26Å; C248-Y250 HydrophobicContact CB-CE2 3.61Å
251	R	97	Very high	84.2	Confident	26 Å²	26	72.4 Å²	72.4	10%	0.098	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	137.3	178.2	-174.9	179.7	63.7	-151.7	0.8	110.8	A152 K153 H199 Y200 Y217 E218 V220 I253	A152-R251 PolarHBondContact O-NH1 2.84Å; K153-R251 PolarHBondContact O-NH1 2.89Å; H199-R251 CarbonylContact O-C 3.59Å; H199-R251 WeakPolarHBondContact O-CA 3.46Å; Y200-R251 HydrophobicContact CD1-CB 3.84Å; Y200-R251 HydrophobicContact CD1-CG 3.93Å; Y200-R251 HydrophobicContact CE1-CB 3.85Å; Y200-R251 HydrophobicContact CE1-CG 3.68Å; Y217-R251 CarbonylContact C-O 3.55Å; Y217-R251 VanDerWaalsContact CA-O 3.27Å; Y217-R251 WeakPolarHBondContact CA-O 3.48Å; Y217-R251 VanDerWaalsContact CD1-C 3.43Å; E218-R251 HydrophobicContact CG-CB 4.06Å; E218-R251 PolarHBondContact N-O 3.29Å; E218-R251 PolarHBondContact O-N 3.48Å; E218-R251 IonicContact OE1-CZ 3.06Å; E218-R251 IonicContact OE1-NE 2.65Å; E218-R251 PolarHBondContact OE1-NE 2.77Å; E218-R251 IonicContact OE1-NH2 2.73Å; E218-R251 PolarHBondContact OE1-NH2 2.93Å; E218-R251 IonicContact OE2-NH2 3.13Å; E218-R251 PolarHBondContact OE2-NH2 3.24Å; E218-R251 VanDerWaalsContact OE2-NH2 3.13Å; V220-R251 HydrophobicContact CG2-CB 3.63Å; R251-I253 HydrophobicContact CG-CG1 4.28Å
252	L	96.9	Very high	84	Confident	5 Å²	5	72 Å²	72	3%	0.026	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	127.8	169.3	174.4	64.3	0	0	0	108.4	A186 F189 L190 Y198 H199 N216 Y217	A186-L252 HydrophobicContact CB-CD2 3.83Å; F189-L252 HydrophobicContact CD1-CD2 3.83Å; F189-L252 HydrophobicContact CD1-CG 4.21Å; F189-L252 HydrophobicContact CE1-CD2 4.15Å; F189-L252 HydrophobicContact CE1-CG 4.01Å; L190-L252 HydrophobicContact CD1-CD2 4.12Å; L190-L252 HydrophobicContact CD2-CD2 4.21Å; L190-L252 HydrophobicContact CD2-CG 4.3Å; L190-L252 HydrophobicContact CG-CD2 4.02Å; Y198-L252 CarbonylContact C-O 3.58Å; Y198-L252 WeakPolarHBondContact CA-O 3.38Å; Y198-L252 WeakPolarHBondContact CB-O 3.42Å; H199-L252 PolarHBondContact N-O 2.89Å; H199-L252 PolarHBondContact O-N 3.38Å; N216-L252 HydrophobicContact CB-CD1 4.19Å; N216-L252 WeakPolarHBondContact O-CD1 3.49Å; Y217-L252 HydrophobicContact CD1-CB 3.56Å; Y217-L252 HydrophobicContact CD2-CB 4.12Å; Y217-L252 HydrophobicContact CD2-CD2 4.46Å; Y217-L252 HydrophobicContact CE1-CB 3.36Å; Y217-L252 HydrophobicContact CE1-CD2 4.47Å; Y217-L252 HydrophobicContact CE2-CB 3.98Å; Y217-L252 HydrophobicContact CE2-CD2 3.83Å; Y217-L252 HydrophobicContact CE2-CG 4.44Å; Y217-L252 HydrophobicContact CG-CB 3.93Å
253	I	95.2	Very high	83.7	Confident	26 Å²	26	66.9 Å²	66.9	13%	0.133	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	130.3	178.8	-55.4	171.5	0	0	0	108.8	P154 E218 R251 K255	P154-I253 HydrophobicContact CB-CD1 3.67Å; P154-I253 HydrophobicContact CB-CG1 4.4Å; P154-I253 HydrophobicContact CG-CD1 4.38Å; E218-I253 WeakPolarHBondContact OE1-CD1 3.22Å; R251-I253 HydrophobicContact CG-CG1 4.28Å; I253-K255 HydrophobicContact CG2-CG 4.36Å; I253-K255 PolarHBondContact O-N 3.44Å
254	N	94.1	Very high	83.4	Confident	1 Å²	1	66.2 Å²	66.2	1%	0.005	31%	0.307	C	S	.	.			trans	-75.9	104.6	172.7	-170.1	-8.7	0	0	0	110.1	F189 L190 T193 G196 S197 K256	F189-N254 HydrophobicContact CE1-CB 4.03Å; F189-N254 HydrophobicContact CZ-CB 4.02Å; L190-N254 HydrophobicContact CD2-CB 4.06Å; T193-N254 PolarHBondContact O-ND2 3.48Å; T193-N254 PolarHBondContact OG1-ND2 3.21Å; G196-N254 PolarHBondContact N-O 3.32Å; S197-N254 PolarHBondContact O-N 3.05Å; N254-K256 WeakPolarHBondContact OD1-CB 3.34Å; N254-K256 PolarHBondContact OD1-N 2.91Å; N254-K256 VanDerWaalsContact OD1-N 3.08Å
255	K	90.3	Very high	83	Confident	163 Å²	163	70.4 Å²	70.4	71%	0.709	33%	0.326	S	S	*	.			trans	-94.7	0.3	180	-63.3	-177.7	-178.4	179.3	0	113.6	H195 I253 S257	H195-K255 PolarHBondContact CE1-O 3.24Å; H195-K255 VanDerWaalsContact CE1-O 3.31Å; H195-K255 VanDerWaalsContact ND1-C 3.28Å; H195-K255 PolarHBondContact ND1-O 2.99Å; I253-K255 HydrophobicContact CG2-CG 4.36Å; I253-K255 PolarHBondContact O-N 3.44Å; K255-S257 PolarHBondContact O-N 2.95Å
256	K	84.9	Confident	82.4	Confident	111 Å²	111	67.1 Å²	67.1	48%	0.483	31%	0.313	S	S	.	.			trans	-68.5	118.4	177.2	-63.1	177.8	-175.7	170.2	0	108.3	L190 H195 N254 N258	L190-K256 PolarHBondContact O-NZ 2.58Å; H195-K256 WeakPolarHBondContact CA-O 3.49Å; H195-K256 WeakPolarHBondContact CB-O 3.17Å; H195-K256 PolarHBondContact ND1-O 3.01Å; N254-K256 WeakPolarHBondContact OD1-CB 3.34Å; N254-K256 PolarHBondContact OD1-N 2.91Å; N254-K256 VanDerWaalsContact OD1-N 3.08Å; K256-N258 PolarHBondContact O-N 2.67Å
257	S	69.4	Low	81.9	Confident	76 Å²	76	66.9 Å²	66.9	53%	0.531	31%	0.312	S	S	.	.			trans	-66.5	122.1	164	47.3	0	0	0	0	106.7	K255 I259	K255-S257 PolarHBondContact O-N 2.95Å; S257-I259 PolarHBondContact O-N 2.8Å
258	N	59.3	Low	81.1	Confident	88 Å²	88	71.4 Å²	71.4	47%	0.471	33%	0.333	S	S	.	.			trans	-69.4	92.6	163.2	-74.3	-16.7	0	0	0	105.3	K256 Y260	K256-N258 PolarHBondContact O-N 2.67Å; N258-Y260 HydrophobicContact CB-CD2 4.41Å; N258-Y260 PolarHBondContact O-N 3.07Å
259	I	43.1	Very low	80.1	Confident	148 Å²	148	77.3 Å²	77.3	76%	0.759	36%	0.361	S	S	*	.			trans	-75	86.8	164.4	-53.8	174.4	0	0	0	104.8	S257	S257-I259 PolarHBondContact O-N 2.8Å
260	Y	37.6	Very low	78.6	Confident	283 Å²	283	84.4 Å²	84.4	100%	1.11	39%	0.394	S	S	*	.			trans	-133.4	0	161.1	-73.8	-70.3	0	0	0	107.7	N258	N258-Y260 HydrophobicContact CB-CD2 4.41Å; N258-Y260 PolarHBondContact O-N 3.07Å

Retrieved 260 of 260 residues in 499.9 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).