A0A023IKI3_RAT Loading...

Proteasome subunit beta

Component of the proteasome, a multicatalytic proteinase complex which is characterized by its ability to cleave peptides with Arg, Phe, Tyr, Leu, and Glu adjacent to the leaving group at neutral or slightly basic pH. The proteasome has an ATP-dependent proteolytic activity.

AlphaFold DB , UniProt , Accession A0A023IKI3, Species RAT (Rattus norvegicus, Rat), Gene Psmb8, Length 276 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	48.7	Very low	44.2	Very low	205 Å²	205	125.5 Å²	125.5	100%	1.01	73%	0.725	S	S	*	*				0	-41.9	0	-71.5	-61.1	-155.2	0	0	112.9	L3	M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 2.86Å
2	A	42.2	Very low	44.1	Very low	89 Å²	89	120.7 Å²	120.7	74%	0.736	72%	0.723	S	S	*	*	H	α-helix	trans	-68.2	-22.9	-178	0	0	0	0	0	116.1
3	L	39.5	Very low	43.4	Very low	144 Å²	144	125.9 Å²	125.9	75%	0.754	74%	0.735	S	S	*	*	H	α-helix	trans	-81.8	-21.9	-175	-144.4	133.6	0	0	0	113.4	M1	M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 2.86Å
4	L	41.4	Very low	42.9	Very low	118 Å²	118	134.4 Å²	134.4	62%	0.618	75%	0.749	S	S	*	*	H	α-helix	trans	-77.1	-30.5	179.3	-93.6	134.1	0	0	0	112.6	L6	L4-L6 VanDerWaalsContact C-N 3.34Å
5	D	41.9	Very low	42.3	Very low	104 Å²	104	131.5 Å²	131.5	56%	0.556	74%	0.738	S	S	*	*	H	α-helix	trans	-75.1	-23	177.4	-80.7	-20.4	0	0	0	112.5	C7 R11	D5-C7 VanDerWaalsContact C-N 3.35Å; D5-R11 IonicContact OD1-CZ 3.52Å; D5-R11 IonicContact OD1-NE 3.52Å; D5-R11 IonicContact OD1-NH2 2.74Å; D5-R11 PolarHBondContact OD1-NH2 2.73Å; D5-R11 IonicContact OD2-NH2 2.95Å; D5-R11 PolarHBondContact OD2-NH2 2.93Å
6	L	42.3	Very low	41.8	Very low	157 Å²	157	136.3 Å²	136.3	82%	0.822	75%	0.752	S	S	*	*	H	α-helix	trans	-75.8	-24.1	177	-146	89.2	0	0	0	112.7	L4	L4-L6 VanDerWaalsContact C-N 3.34Å
7	C	53.4	Low	41.8	Very low	98 Å²	98	140.7 Å²	140.7	66%	0.662	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	6.2	-172.6	-62.5	0	0	0	0	114.4	D5 A9	D5-C7 VanDerWaalsContact C-N 3.35Å; C7-A9 VanDerWaalsContact C-N 3.34Å; C7-A9 PolarHBondContact O-N 3.49Å
8	G	45.2	Very low	41.3	Very low	69 Å²	69	137.5 Å²	137.5	71%	0.711	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	64.9	26.8	170.9	0	0	0	0	0	116.1
9	A	42.7	Very low	40.9	Very low	57 Å²	57	135.3 Å²	135.3	47%	0.471	75%	0.753	S	S	.	*			trans	-70.8	134.3	177	0	0	0	0	0	111.3	C7 R11	C7-A9 VanDerWaalsContact C-N 3.34Å; C7-A9 PolarHBondContact O-N 3.49Å; A9-R11 PolarHBondContact O-N 3.43Å
10	P	41.3	Very low	40.4	Very low	130 Å²	130	136.1 Å²	136.1	84%	0.844	76%	0.761	S	S	*	*			trans	-66.4	125.7	-175.6	24.2	-31.2	0	0	0	111.7	G12	P10-G12 PolarHBondContact O-N 2.92Å
11	R	47.5	Very low	40	Very low	209 Å²	209	137 Å²	137	79%	0.789	77%	0.765	S	S	*	*			trans	-80.1	108.3	172.8	-74.2	-176.7	179.4	-171.1	-0.2	109.6	D5 A9	D5-R11 IonicContact OD1-CZ 3.52Å; D5-R11 IonicContact OD1-NE 3.52Å; D5-R11 IonicContact OD1-NH2 2.74Å; D5-R11 PolarHBondContact OD1-NH2 2.73Å; D5-R11 IonicContact OD2-NH2 2.95Å; D5-R11 PolarHBondContact OD2-NH2 2.93Å; A9-R11 PolarHBondContact O-N 3.43Å
12	G	42.7	Very low	39.2	Very low	68 Å²	68	131.9 Å²	131.9	70%	0.701	76%	0.755	S	S	*	*			trans	127.9	92.1	158.2	0	0	0	0	0	115.2	P10	P10-G12 PolarHBondContact O-N 2.92Å
13	Q	34.9	Very low	38.5	Very low	189 Å²	189	131.3 Å²	131.3	88%	0.883	76%	0.758	S	S	*	*			trans	-171.1	122.1	134.1	-102.1	170.5	20.6	0	0	107	P15	Q13-P15 VanDerWaalsContact O-CD 3.29Å; Q13-P15 WeakPolarHBondContact O-CD 3.38Å
14	R	36.6	Very low	38.5	Very low	245 Å²	245	130.8 Å²	130.8	93%	0.925	77%	0.766	S	S	*	*			trans	-66.3	120.2	170.3	-98	-177.6	171.6	-179.2	-2.4	107.7
15	P	34.3	Very low	37.9	Very low	90 Å²	90	128 Å²	128	58%	0.584	77%	0.766	S	S	*	*			trans	-81.1	148.7	171	0.6	17.8	0	0	0	110.4	Q13 W17	Q13-P15 VanDerWaalsContact O-CD 3.29Å; Q13-P15 WeakPolarHBondContact O-CD 3.38Å; P15-W17 PolarHBondContact O-N 3.24Å
16	E	33.7	Very low	37.4	Very low	208 Å²	208	132 Å²	132	97%	0.972	79%	0.786	S	S	*	*	S	Bend	trans	-55.7	33.1	-178.5	-101.2	179.5	160.8	0	0	117.6
17	W	42.5	Very low	36.8	Very low	212 Å²	212	136 Å²	136	80%	0.803	79%	0.791	S	S	*	*			trans	-101.5	11.1	172	65.4	-90	0	0	0	112.8	P15 A19	P15-W17 PolarHBondContact O-N 3.24Å; W17-A19 PolarHBondContact O-N 3.4Å
18	A	32.1	Very low	35.9	Very low	83 Å²	83	136.7 Å²	136.7	69%	0.686	80%	0.797	S	S	*	*			trans	-63.6	102.6	174.8	0	0	0	0	0	110.6
19	A	34.8	Very low	35.3	Very low	95 Å²	95	139.9 Å²	139.9	79%	0.785	80%	0.797	S	S	*	*			trans	54.1	105.9	162.3	0	0	0	0	0	117.1	W17	W17-A19 PolarHBondContact O-N 3.4Å
20	V	29.7	Very low	35.1	Very low	151 Å²	151	142.6 Å²	142.6	92%	0.915	81%	0.81	S	S	*	*			trans	-115.6	118.3	143.5	-165.3	0	0	0	0	106.4
21	D	31.8	Very low	34.8	Very low	156 Å²	156	138.6 Å²	138.6	83%	0.834	79%	0.793	S	S	*	*			trans	-84.9	154.9	178.4	-159.9	7	0	0	0	111.2
22	A	33.3	Very low	33.9	Very low	97 Å²	97	137.3 Å²	137.3	80%	0.802	80%	0.795	S	S	*	*			trans	71.4	99.7	164.7	0	0	0	0	0	120
23	G	26.6	Very low	33.5	Very low	78 Å²	78	144.3 Å²	144.3	80%	0.804	80%	0.802	S	S	*	*			trans	-167.8	100.4	156.2	0	0	0	0	0	110.7	G25	G23-G25 PolarHBondContact O-N 2.98Å
24	S	39.3	Very low	33.2	Very low	132 Å²	132	139.2 Å²	139.2	92%	0.923	79%	0.787	S	S	*	*			trans	-43.4	119.9	-173.3	56.2	0	0	0	0	115.8
25	G	28.7	Very low	33.2	Very low	60 Å²	60	137.4 Å²	137.4	62%	0.619	79%	0.786	S	S	*	*			trans	-172.5	110.1	164.4	0	0	0	0	0	109.1	G23 R27	G23-G25 PolarHBondContact O-N 2.98Å; G25-R27 PolarHBondContact O-N 3.38Å
26	L	31.8	Very low	33.2	Very low	187 Å²	187	136.5 Å²	136.5	98%	0.979	78%	0.782	S	S	*	*			trans	-44.4	103.3	177.1	-110.3	76.7	0	0	0	110.4
27	R	30.6	Very low	33.5	Very low	243 Å²	243	134 Å²	134	92%	0.917	78%	0.781	S	S	*	*			trans	-94.3	99.9	164	-78.4	-171.8	171.4	-163.1	-1.5	106.9	G25 D29	G25-R27 PolarHBondContact O-N 3.38Å; R27-D29 PolarHBondContact O-N 3.27Å
28	S	34.1	Very low	33.5	Very low	112 Å²	112	132 Å²	132	78%	0.783	78%	0.781	S	S	*	*			trans	-62.1	123.1	170.5	49.8	0	0	0	0	109.8
29	D	31.9	Very low	34.4	Very low	136 Å²	136	131.4 Å²	131.4	73%	0.727	78%	0.775	S	S	*	*			trans	-45	125.2	170.2	-168.1	5.1	0	0	0	112.2	R27 G31	R27-D29 PolarHBondContact O-N 3.27Å; D29-G31 PolarHBondContact O-N 2.92Å
30	P	38.2	Very low	35.1	Very low	114 Å²	114	129.6 Å²	129.6	74%	0.74	76%	0.755	S	S	*	*	S	Bend	trans	-83.1	54.8	-178.5	34.8	-34.1	0	0	0	111.1
31	G	34.9	Very low	36.5	Very low	46 Å²	46	130.7 Å²	130.7	47%	0.474	75%	0.751	S	S	.	*			trans	-147.1	40.6	-171.6	0	0	0	0	0	113.3	D29	D29-G31 PolarHBondContact O-N 2.92Å
32	H	30.4	Very low	37.9	Very low	181 Å²	181	127.1 Å²	127.1	84%	0.838	73%	0.731	S	S	*	*	S	Bend	trans	-160.4	134.4	162.6	-104.3	-76	0	0	0	110.8	S34	H32-S34 PolarHBondContact O-N 3.32Å
33	Y	33.8	Very low	39.5	Very low	216 Å²	216	127.2 Å²	127.2	85%	0.847	73%	0.732	S	S	*	*			trans	-49.3	99.1	177.5	-69.1	-93.6	0	0	0	112.2	F35	Y33-F35 PolarHBondContact O-N 2.96Å
34	S	28.6	Very low	41.1	Very low	81 Å²	81	127.3 Å²	127.3	57%	0.566	71%	0.714	S	S	*	*			trans	-85.9	101	168.6	-178.2	0	0	0	0	109.2	H32 S36	H32-S34 PolarHBondContact O-N 3.32Å; S34-S36 PolarHBondContact O-N 3.35Å; S34-S36 PolarHBondContact OG-OG 3.05Å
35	F	36.7	Very low	42.3	Very low	207 Å²	207	125.4 Å²	125.4	91%	0.908	70%	0.698	S	S	*	*			trans	-74.6	67.7	159.5	-87.1	-92	0	0	0	109.1	Y33	Y33-F35 PolarHBondContact O-N 2.96Å
36	S	34.7	Very low	44	Very low	71 Å²	71	133.7 Å²	133.7	50%	0.497	71%	0.711	S	S	.	*	S	Bend	trans	-154.1	123	166.7	60.8	0	0	0	0	111.6	S34 Q38	S34-S36 PolarHBondContact O-N 3.35Å; S34-S36 PolarHBondContact OG-OG 3.05Å; S36-Q38 PolarHBondContact O-N 3.19Å
37	V	38.9	Very low	45.7	Very low	157 Å²	157	129.2 Å²	129.2	95%	0.952	71%	0.709	S	S	*	*	S	Bend	trans	29.2	37.6	147.2	-150.9	0	0	0	0	118.7
38	Q	42.4	Very low	47.4	Very low	170 Å²	170	122.5 Å²	122.5	79%	0.794	69%	0.69	S	S	*	*			trans	-104.1	133.7	157.8	-78.7	-178.4	-30	0	0	107.2	S36	S36-Q38 PolarHBondContact O-N 3.19Å
39	A	50.3	Low	49.1	Very low	70 Å²	70	122.3 Å²	122.3	58%	0.579	68%	0.676	S	S	*	*			trans	-48.9	136	173.4	0	0	0	0	0	108.1	E41	A39-E41 VanDerWaalsContact C-N 3.3Å; A39-E41 PolarHBondContact O-N 2.88Å
40	P	50.6	Low	51	Low	56 Å²	56	117.5 Å²	117.5	36%	0.364	65%	0.652	S	S	.	*			trans	-61	99.9	175.6	24.3	-30.7	0	0	0	107.9	L130 Y162	P40-L130 HydrophobicContact CG-CD1 4.41Å; P40-L130 HydrophobicContact CG-CD2 4Å; P40-Y162 PolarHBondContact O-OH 3.05Å
41	E	58.7	Low	52.6	Low	175 Å²	175	113.3 Å²	113.3	82%	0.818	63%	0.625	S	S	*	*			trans	-85.1	129.1	175.2	-153.9	171.8	-170.1	0	0	107	A39 A43	A39-E41 VanDerWaalsContact C-N 3.3Å; A39-E41 PolarHBondContact O-N 2.88Å; E41-A43 PolarHBondContact O-N 2.81Å
42	L	62.1	Low	54.5	Low	80 Å²	80	116.9 Å²	116.9	42%	0.419	63%	0.629	S	S	.	*			trans	-58.6	126.5	173.6	-170.6	67.1	0	0	0	107.9	L44 Y162	L42-L44 HydrophobicContact CB-CD2 4.46Å; L42-L44 HydrophobicContact CD2-CD2 3.81Å; L42-L44 HydrophobicContact CG-CD2 4.09Å; L42-L44 WeakPolarHBondContact O-CG 3.22Å; L42-L44 PolarHBondContact O-N 3.14Å; L42-Y162 HydrophobicContact CB-CE1 4.17Å; L42-Y162 PolarHBondContact N-OH 2.94Å
43	A	65.4	Low	56.5	Low	100 Å²	100	112.4 Å²	112.4	83%	0.826	61%	0.608	S	S	*	*			trans	-68.9	97.9	178	0	0	0	0	0	109.4	E41	E41-A43 PolarHBondContact O-N 2.81Å
44	L	61.8	Low	58.2	Low	80 Å²	80	104.5 Å²	104.5	42%	0.419	58%	0.58	S	S	.	*	P	Polyproline II helix	trans	-91.8	138.8	-179.9	-63.6	176.7	0	0	0	111	L42 R46 P50	L42-L44 HydrophobicContact CB-CD2 4.46Å; L42-L44 HydrophobicContact CD2-CD2 3.81Å; L42-L44 HydrophobicContact CG-CD2 4.09Å; L42-L44 WeakPolarHBondContact O-CG 3.22Å; L42-L44 PolarHBondContact O-N 3.14Å; L44-R46 PolarHBondContact O-N 2.61Å; L44-P50 HydrophobicContact CD1-CG 3.46Å; L44-P50 VanDerWaalsContact CD1-CG 3.46Å; L44-P50 HydrophobicContact CD2-CG 3.36Å; L44-P50 HydrophobicContact CG-CG 3.95Å
45	P	64.5	Low	60.1	Low	91 Å²	91	108.3 Å²	108.3	59%	0.591	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-55.7	135.2	172	-22.9	32.5	0	0	0	111.6	G47 M48	P45-G47 PolarHBondContact O-N 2.8Å; P45-M48 PolarHBondContact O-N 3.37Å
46	R	63.6	Low	61.5	Low	235 Å²	235	99.7 Å²	99.7	89%	0.887	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	127	178.4	-67.6	-174.8	178.9	-177.2	0.9	110.2	L44	L44-R46 PolarHBondContact O-N 2.61Å
47	G	68.2	Low	62.9	Low	92 Å²	92	99.1 Å²	99.1	95%	0.948	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.8	2.8	175.7	0	0	0	0	0	115.9	P45	P45-G47 PolarHBondContact O-N 2.8Å
48	M	65.3	Low	63.8	Low	103 Å²	103	93.4 Å²	93.4	51%	0.507	51%	0.509	S	S	.	.			trans	-120.8	114.4	174	-173.6	177.4	-76	0	0	109.9	P45 P50 F53	P45-M48 PolarHBondContact O-N 3.37Å; M48-P50 WeakPolarHBondContact O-CD 3.16Å; M48-F53 HydrophobicContact CE-CD2 4.26Å; M48-F53 HydrophobicContact CG-CB 4.24Å; M48-F53 HydrophobicContact SD-CB 4.31Å; M48-F53 HydrophobicContact SD-CD2 3.64Å; M48-F53 HydrophobicContact SD-CE2 4.25Å; M48-F53 HydrophobicContact SD-CG 4.15Å
49	Q	71	Confident	64.5	Low	108 Å²	108	91.7 Å²	91.7	51%	0.505	51%	0.505	S	S	.	.			trans	-82.5	120.7	174.8	-159.4	174.3	39.1	0	0	109.1	T51 E52 F53	Q49-T51 PolarHBondContact O-N 3.11Å; Q49-E52 HydrophobicContact CB-CB 4.19Å; Q49-E52 HydrophobicContact CB-CG 4Å; Q49-E52 PolarHBondContact O-N 3.26Å; Q49-E52 PolarHBondContact OE1-OE1 2.84Å; Q49-F53 PolarHBondContact O-N 2.73Å
50	P	70.4	Confident	64.4	Low	34 Å²	34	92.4 Å²	92.4	22%	0.221	50%	0.499	C	S	.	.	H	α-helix	trans	-57.9	-37.1	-175.6	-27.5	35.4	0	0	0	113.2	L44 M48 F53 L54	L44-P50 HydrophobicContact CD1-CG 3.46Å; L44-P50 VanDerWaalsContact CD1-CG 3.46Å; L44-P50 HydrophobicContact CD2-CG 3.36Å; L44-P50 HydrophobicContact CG-CG 3.95Å; M48-P50 WeakPolarHBondContact O-CD 3.16Å; P50-F53 PolarHBondContact O-N 3.35Å; P50-L54 WeakPolarHBondContact O-CB 3.21Å; P50-L54 WeakPolarHBondContact O-CG 3.45Å; P50-L54 PolarHBondContact O-N 3.25Å
51	T	72.2	Confident	64.5	Low	27 Å²	27	98.6 Å²	98.6	17%	0.166	52%	0.524	C	S	.	.	H	α-helix	trans	-63	-42.1	177.4	-47.7	0	0	0	0	111.7	Q49 R55 G164	Q49-T51 PolarHBondContact O-N 3.11Å; T51-R55 VanDerWaalsContact O-CB 3.28Å; T51-R55 WeakPolarHBondContact O-CB 3.49Å; T51-R55 WeakPolarHBondContact O-CG 3.38Å; T51-R55 PolarHBondContact O-N 3.47Å; T51-G164 WeakPolarHBondContact CG2-O 3.3Å
52	E	74.1	Confident	64.3	Low	121 Å²	121	99.3 Å²	99.3	57%	0.565	53%	0.527	S	S	*	.	H	α-helix	trans	-69	-42.1	176.1	-67.1	180	157.5	0	0	111.2	Q49 R55 S56	Q49-E52 HydrophobicContact CB-CB 4.19Å; Q49-E52 HydrophobicContact CB-CG 4Å; Q49-E52 PolarHBondContact O-N 3.26Å; Q49-E52 PolarHBondContact OE1-OE1 2.84Å; E52-R55 PolarHBondContact O-N 2.9Å; E52-S56 WeakPolarHBondContact O-CB 3.37Å; E52-S56 PolarHBondContact O-N 3.4Å
53	F	74.2	Confident	63.9	Low	87 Å²	87	101.8 Å²	101.8	38%	0.382	53%	0.53	S	S	.	.	H	α-helix	trans	-56.6	-54.6	175	176.6	-94.1	0	0	0	110.8	M48 Q49 P50 R55 S56 F57	M48-F53 HydrophobicContact CE-CD2 4.26Å; M48-F53 HydrophobicContact CG-CB 4.24Å; M48-F53 HydrophobicContact SD-CB 4.31Å; M48-F53 HydrophobicContact SD-CD2 3.64Å; M48-F53 HydrophobicContact SD-CE2 4.25Å; M48-F53 HydrophobicContact SD-CG 4.15Å; Q49-F53 PolarHBondContact O-N 2.73Å; P50-F53 PolarHBondContact O-N 3.35Å; F53-R55 PolarHBondContact O-N 2.83Å; F53-S56 WeakPolarHBondContact O-CB 3.39Å; F53-S56 PolarHBondContact O-N 2.91Å; F53-S56 PolarHBondContact O-OG 2.87Å; F53-F57 HydrophobicContact CD1-CD2 4.43Å; F53-F57 HydrophobicContact CD1-CE2 4.45Å; F53-F57 AromaticContact CD2-CE2 3.9Å; F53-F57 HydrophobicContact CD2-CE2 3.9Å; F53-F57 HydrophobicContact CE1-CD2 4.17Å; F53-F57 HydrophobicContact CE1-CE2 4.07Å; F53-F57 HydrophobicContact CE2-CD2 4.34Å; F53-F57 AromaticContact CE2-CE2 3.49Å; F53-F57 HydrophobicContact CE2-CE2 3.49Å; F53-F57 VanDerWaalsContact CE2-CE2 3.49Å; F53-F57 HydrophobicContact CE2-CZ 4.29Å; F53-F57 HydrophobicContact CG-CE2 4.37Å; F53-F57 HydrophobicContact CZ-CD2 4.13Å; F53-F57 AromaticContact CZ-CE2 3.57Å; F53-F57 HydrophobicContact CZ-CE2 3.57Å; F53-F57 HydrophobicContact CZ-CZ 4.42Å; F53-F57 WeakPolarHBondContact O-CD2 3.27Å
54	L	69.4	Low	63.2	Low	50 Å²	50	107.5 Å²	107.5	26%	0.262	54%	0.537	S	S	.	.	H	α-helix	trans	-64.5	-40.9	-179.6	-71	174.7	0	0	0	112.5	P50 S56 F57 G58 M69 M165	P50-L54 WeakPolarHBondContact O-CB 3.21Å; P50-L54 WeakPolarHBondContact O-CG 3.45Å; P50-L54 PolarHBondContact O-N 3.25Å; L54-S56 VanDerWaalsContact C-N 3.26Å; L54-S56 PolarHBondContact O-N 3.01Å; L54-F57 CarbonylContact O-C 3.52Å; L54-F57 PolarHBondContact O-N 2.96Å; L54-G58 PolarHBondContact O-N 2.81Å; L54-M69 HydrophobicContact CD1-CE 4.49Å; L54-M69 HydrophobicContact CD2-CE 4.45Å; L54-M165 VanDerWaalsContact CD1-O 3.29Å; L54-M165 WeakPolarHBondContact CD1-O 3.18Å
55	R	68.2	Low	62.9	Low	160 Å²	160	108.4 Å²	108.4	60%	0.604	55%	0.546	S	S	*	.	H	α-helix	trans	-58.4	-39.5	174.2	-80.8	178.1	-178.4	175.4	1.2	112.2	T51 E52 F53 F57 G58 D59	T51-R55 VanDerWaalsContact O-CB 3.28Å; T51-R55 WeakPolarHBondContact O-CB 3.49Å; T51-R55 WeakPolarHBondContact O-CG 3.38Å; T51-R55 PolarHBondContact O-N 3.47Å; E52-R55 PolarHBondContact O-N 2.9Å; F53-R55 PolarHBondContact O-N 2.83Å; R55-F57 PolarHBondContact O-N 3.04Å; R55-G58 PolarHBondContact O-N 2.91Å; R55-D59 PolarHBondContact O-N 3.11Å
56	S	64.9	Low	62.5	Low	27 Å²	27	108.5 Å²	108.5	19%	0.189	54%	0.538	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-9.4	178.6	84.6	0	0	0	0	114.5	E52 F53 L54 R63	E52-S56 WeakPolarHBondContact O-CB 3.37Å; E52-S56 PolarHBondContact O-N 3.4Å; F53-S56 WeakPolarHBondContact O-CB 3.39Å; F53-S56 PolarHBondContact O-N 2.91Å; F53-S56 PolarHBondContact O-OG 2.87Å; L54-S56 VanDerWaalsContact C-N 3.26Å; L54-S56 PolarHBondContact O-N 3.01Å; S56-R63 PolarHBondContact O-NH1 2.9Å
57	F	65.1	Low	62.3	Low	58 Å²	58	101.3 Å²	101.3	25%	0.254	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	-0.8	172.5	-64.7	-75.3	0	0	0	113.4	F53 L54 R55 Q66 I67	F53-F57 HydrophobicContact CD1-CD2 4.43Å; F53-F57 HydrophobicContact CD1-CE2 4.45Å; F53-F57 AromaticContact CD2-CE2 3.9Å; F53-F57 HydrophobicContact CD2-CE2 3.9Å; F53-F57 HydrophobicContact CE1-CD2 4.17Å; F53-F57 HydrophobicContact CE1-CE2 4.07Å; F53-F57 HydrophobicContact CE2-CD2 4.34Å; F53-F57 AromaticContact CE2-CE2 3.49Å; F53-F57 HydrophobicContact CE2-CE2 3.49Å; F53-F57 VanDerWaalsContact CE2-CE2 3.49Å; F53-F57 HydrophobicContact CE2-CZ 4.29Å; F53-F57 HydrophobicContact CG-CE2 4.37Å; F53-F57 HydrophobicContact CZ-CD2 4.13Å; F53-F57 AromaticContact CZ-CE2 3.57Å; F53-F57 HydrophobicContact CZ-CE2 3.57Å; F53-F57 HydrophobicContact CZ-CZ 4.42Å; F53-F57 WeakPolarHBondContact O-CD2 3.27Å; L54-F57 CarbonylContact O-C 3.52Å; L54-F57 PolarHBondContact O-N 2.96Å; R55-F57 PolarHBondContact O-N 3.04Å; F57-Q66 CarbonylContact O-C 3.54Å; F57-Q66 VanDerWaalsContact O-CA 3.3Å; F57-Q66 WeakPolarHBondContact O-CA 3.3Å; F57-I67 HydrophobicContact CB-CB 4.23Å; F57-I67 HydrophobicContact CB-CD1 3.75Å; F57-I67 HydrophobicContact CB-CG1 3.86Å; F57-I67 HydrophobicContact CD1-CD1 4.45Å; F57-I67 HydrophobicContact CD2-CD1 4.25Å; F57-I67 HydrophobicContact CG-CD1 3.91Å; F57-I67 HydrophobicContact CG-CG1 4.35Å; F57-I67 PolarHBondContact O-N 2.85Å
58	G	57	Low	61.9	Low	38 Å²	38	104.5 Å²	104.5	39%	0.392	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-39.9	-173.5	0	0	0	0	0	114.8	L54 R55	L54-G58 PolarHBondContact O-N 2.81Å; R55-G58 PolarHBondContact O-N 2.91Å
59	D	56.7	Low	61.7	Low	133 Å²	133	103.5 Å²	103.5	71%	0.711	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.8	-16.4	-168.2	-84.3	-28	0	0	0	115.3	R55 Q61	R55-D59 PolarHBondContact O-N 3.11Å; D59-Q61 PolarHBondContact O-N 2.97Å
60	D	48.8	Very low	61.2	Low	86 Å²	86	100.8 Å²	100.8	46%	0.46	50%	0.497	S	S	.	.			trans	-85.8	113.9	-175.6	-78.6	-25.7	0	0	0	112.3	E62 Q66	D60-E62 PolarHBondContact O-N 3.36Å; D60-Q66 PolarHBondContact O-NE2 2.71Å
61	Q	52.4	Low	60.9	Low	186 Å²	186	102.6 Å²	102.6	87%	0.869	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-12.7	173.5	-71.1	-176.5	0.3	0	0	113.7	D59	D59-Q61 PolarHBondContact O-N 2.97Å
62	E	54.9	Low	60.9	Low	189 Å²	189	101.7 Å²	101.7	88%	0.883	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-15.8	-176.6	-69.7	-172.9	163.6	0	0	113.8	D60	D60-E62 PolarHBondContact O-N 3.36Å
63	R	53.5	Low	61.7	Low	132 Å²	132	96.3 Å²	96.3	50%	0.498	47%	0.474	S	S	.	.	S	Bend	trans	-103.5	130.4	179.8	-71.9	179.9	178	176.2	0.6	111.5	S56 V65	S56-R63 PolarHBondContact O-NH1 2.9Å; R63-V65 PolarHBondContact O-N 3.3Å; R63-V65 VanDerWaalsContact O-N 3.08Å
64	K	51.4	Low	62.9	Low	220 Å²	220	92.2 Å²	92.2	96%	0.957	46%	0.456	S	S	*	.	S	Bend	trans	-66.5	-8.1	-175.1	-130.2	177.5	-174.2	179.3	0	115.3
65	V	54.6	Low	64.2	Low	100 Å²	100	89.8 Å²	89.8	61%	0.606	44%	0.444	S	S	*	.			trans	-127.2	101.4	-177	-175.7	0	0	0	0	108.7	R63	R63-V65 PolarHBondContact O-N 3.3Å; R63-V65 VanDerWaalsContact O-N 3.08Å
66	Q	56.5	Low	65.7	Low	92 Å²	92	82.2 Å²	82.2	43%	0.43	42%	0.415	S	S	.	.			trans	-97.4	132	172.3	-67.6	-175.8	-23.1	0	0	109.3	F57 D60 E68	F57-Q66 CarbonylContact O-C 3.54Å; F57-Q66 VanDerWaalsContact O-CA 3.3Å; F57-Q66 WeakPolarHBondContact O-CA 3.3Å; D60-Q66 PolarHBondContact O-NE2 2.71Å; Q66-E68 PolarHBondContact O-N 2.79Å
67	I	59.9	Low	67.3	Low	84 Å²	84	80.9 Å²	80.9	43%	0.431	41%	0.406	S	S	.	.			trans	-87.4	87.9	172.3	-61.3	172.8	0	0	0	107	F57 M69	F57-I67 HydrophobicContact CB-CB 4.23Å; F57-I67 HydrophobicContact CB-CD1 3.75Å; F57-I67 HydrophobicContact CB-CG1 3.86Å; F57-I67 HydrophobicContact CD1-CD1 4.45Å; F57-I67 HydrophobicContact CD2-CD1 4.25Å; F57-I67 HydrophobicContact CG-CD1 3.91Å; F57-I67 HydrophobicContact CG-CG1 4.35Å; F57-I67 PolarHBondContact O-N 2.85Å; I67-M69 PolarHBondContact O-N 2.82Å
68	E	60.3	Low	68.9	Low	159 Å²	159	78.1 Å²	78.1	74%	0.743	39%	0.394	S	S	*	.			trans	-72.8	119.1	168	-70.6	-173.2	167.8	0	0	109.1	Q66 A70	Q66-E68 PolarHBondContact O-N 2.79Å; E68-A70 PolarHBondContact O-N 3.02Å
69	M	61	Low	70.8	Confident	83 Å²	83	77.3 Å²	77.3	41%	0.409	38%	0.379	S	S	.	.			trans	-73.5	79.5	171.5	-61.4	-157.4	-170.1	0	0	109.4	L54 I67 H71 G166	L54-M69 HydrophobicContact CD1-CE 4.49Å; L54-M69 HydrophobicContact CD2-CE 4.45Å; I67-M69 PolarHBondContact O-N 2.82Å; M69-H71 PolarHBondContact O-CE1 3.33Å; M69-H71 PolarHBondContact O-N 3.28Å; M69-H71 PolarHBondContact O-ND1 2.78Å; M69-G166 WeakPolarHBondContact CE-O 3.5Å
70	A	59.5	Low	72.8	Confident	50 Å²	50	71.5 Å²	71.5	41%	0.413	35%	0.348	S	S	.	.			trans	-70.3	116.4	174.5	0	0	0	0	0	109.4	E68 G72	E68-A70 PolarHBondContact O-N 3.02Å; A70-G72 PolarHBondContact O-N 2.98Å
71	H	63.4	Low	75.1	Confident	72 Å²	72	73.9 Å²	73.9	33%	0.333	36%	0.356	S	S	.	.			trans	-85.2	54.6	178.2	-64.1	72	0	0	0	110.4	M69 T73 S168 S202	M69-H71 PolarHBondContact O-CE1 3.33Å; M69-H71 PolarHBondContact O-N 3.28Å; M69-H71 PolarHBondContact O-ND1 2.78Å; H71-T73 PolarHBondContact O-N 3.47Å; H71-S168 PolarHBondContact CD2-OG 3.29Å; H71-S168 PolarHBondContact NE2-OG 2.99Å; H71-S202 WeakPolarHBondContact O-CB 3.45Å; H71-S202 PolarHBondContact O-N 3.27Å; H71-S202 PolarHBondContact O-OG 3.27Å; H71-S202 VanDerWaalsContact O-OG 3.1Å
72	G	72.4	Confident	77.2	Confident	8 Å²	8	69 Å²	69	8%	0.082	33%	0.333	C	S	.	.			trans	-71.2	92.7	-174.4	0	0	0	0	0	112.7	A70 S202	A70-G72 PolarHBondContact O-N 2.98Å; G72-S202 WeakPolarHBondContact CA-OG 3.24Å
73	T	92.6	Very high	79.2	Confident	9 Å²	9	60 Å²	60	6%	0.055	29%	0.291	C	S	.	.			trans	-175.7	154.4	-175.8	-74.1	0	0	0	0	111.2	H71 T75 K105 G201 S202 G203 S242	H71-T73 PolarHBondContact O-N 3.47Å; T73-T75 HydrophobicContact CG2-CG2 3.57Å; T73-K105 HydrophobicContact CG2-CD 3.61Å; T73-K105 PolarHBondContact OG1-NZ 2.9Å; T73-G201 CarbonylContact O-C 3.55Å; T73-G201 WeakPolarHBondContact O-CA 3.22Å; T73-S202 PolarHBondContact N-OG 3.36Å; T73-S202 PolarHBondContact O-N 3.36Å; T73-S202 PolarHBondContact O-OG 3.16Å; T73-G203 PolarHBondContact O-N 3.09Å; T73-S242 PolarHBondContact O-OG 3.3Å
74	T	97.6	Very high	81.4	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.268	C	S	.	.			trans	-126.2	121.1	160.8	-54	0	0	0	0	109.9	D89 G203 A207 I232 A235 S242	T74-D89 PolarHBondContact N-OD1 2.89Å; T74-D89 PolarHBondContact O-N 3.38Å; T74-D89 VanDerWaalsContact O-OD1 3.14Å; T74-G203 VanDerWaalsContact OG1-CA 3.24Å; T74-G203 WeakPolarHBondContact OG1-CA 3.38Å; T74-A207 HydrophobicContact CG2-CB 3.89Å; T74-I232 HydrophobicContact CG2-CD1 3.72Å; T74-A235 HydrophobicContact CG2-CB 3.78Å; T74-S242 PolarHBondContact N-OG 2.83Å; T74-S242 VanDerWaalsContact N-OG 3.14Å; T74-S242 WeakPolarHBondContact OG1-CB 3.44Å; T74-S242 PolarHBondContact OG1-OG 2.87Å
75	T	98.1	Very high	83.6	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	148.4	167.2	73.6	0	0	0	0	110	T73 V88 M172 S199 T200	T73-T75 HydrophobicContact CG2-CG2 3.57Å; T75-V88 HydrophobicContact CG2-CB 4.01Å; T75-V88 HydrophobicContact CG2-CG1 3.54Å; T75-M172 WeakPolarHBondContact OG1-CE 3.45Å; T75-S199 CarbonylContact O-C 3.51Å; T75-S199 WeakPolarHBondContact O-CA 2.97Å; T75-S199 WeakPolarHBondContact O-CB 3.35Å; T75-S199 PolarHBondContact O-OG 3.44Å; T75-T200 PolarHBondContact N-O 2.72Å; T75-T200 PolarHBondContact O-N 3.45Å; T75-T200 PolarHBondContact OG1-OG1 3.46Å
76	L	98.4	Very high	85.7	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	153.5	171.9	65.5	85.6	0	0	0	110.9	F78 A87 F198 A207 M211 A228 A231 I232	L76-F78 HydrophobicContact CD1-CD1 4.07Å; L76-F78 HydrophobicContact CD1-CE1 4.13Å; L76-A87 HydrophobicContact CD1-CB 3.92Å; L76-A87 HydrophobicContact CG-CB 4.17Å; L76-A87 PolarHBondContact N-O 2.95Å; L76-A87 PolarHBondContact O-N 3.47Å; L76-F198 CarbonylContact C-O 3.6Å; L76-F198 WeakPolarHBondContact CA-O 3.44Å; L76-A207 HydrophobicContact CD2-CB 4.07Å; L76-M211 HydrophobicContact CB-CE 4.4Å; L76-M211 HydrophobicContact CB-SD 4.15Å; L76-M211 HydrophobicContact CD1-SD 4.05Å; L76-M211 HydrophobicContact CD2-SD 4.39Å; L76-M211 HydrophobicContact CG-SD 4.44Å; L76-A228 HydrophobicContact CD1-CB 4.16Å; L76-A231 HydrophobicContact CD2-CB 3.51Å; L76-I232 HydrophobicContact CD2-CD1 3.6Å; L76-I232 HydrophobicContact CD2-CG1 3.82Å; L76-I232 HydrophobicContact CG-CD1 3.87Å; L76-I232 HydrophobicContact CG-CG1 4.24Å
77	A	98.6	Very high	87.7	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	141	170.1	0	0	0	0	0	110.5	I85 V86 M172 L183 M197 F198	A77-I85 CarbonylContact C-O 3.59Å; A77-I85 WeakPolarHBondContact CA-O 3.38Å; A77-I85 WeakPolarHBondContact CB-O 3.39Å; A77-V86 HydrophobicContact CB-CG2 4.03Å; A77-M172 HydrophobicContact CB-CE 4.19Å; A77-M172 HydrophobicContact CB-SD 3.93Å; A77-L183 HydrophobicContact CB-CD1 3.7Å; A77-L183 HydrophobicContact CB-CD2 4.03Å; A77-M197 CarbonylContact O-C 3.58Å; A77-M197 VanDerWaalsContact O-CA 3.3Å; A77-M197 WeakPolarHBondContact O-CA 3.35Å; A77-F198 PolarHBondContact N-O 2.79Å; A77-F198 PolarHBondContact O-N 3.22Å
78	F	98.6	Very high	89.5	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	146.9	173.7	61.9	-93.8	0	0	0	111.9	L76 V84 I85 Q196 M197 M211 Y215 A224 L227 A228	L76-F78 HydrophobicContact CD1-CD1 4.07Å; L76-F78 HydrophobicContact CD1-CE1 4.13Å; F78-V84 WeakPolarHBondContact O-CA 3.45Å; F78-V84 WeakPolarHBondContact O-CG1 3.46Å; F78-I85 HydrophobicContact CE1-CB 4.07Å; F78-I85 HydrophobicContact CE1-CG2 4.25Å; F78-I85 HydrophobicContact CE2-CB 4.13Å; F78-I85 HydrophobicContact CE2-CG1 3.98Å; F78-I85 HydrophobicContact CZ-CB 3.86Å; F78-I85 HydrophobicContact CZ-CG1 3.93Å; F78-I85 HydrophobicContact CZ-CG2 4.27Å; F78-I85 PolarHBondContact N-O 2.85Å; F78-I85 PolarHBondContact O-N 2.82Å; F78-Q196 CarbonylContact C-O 3.49Å; F78-Q196 VanDerWaalsContact CA-O 3.27Å; F78-Q196 WeakPolarHBondContact CA-O 3.35Å; F78-M197 HydrophobicContact CB-CB 3.89Å; F78-M197 HydrophobicContact CB-CG 3.85Å; F78-M197 HydrophobicContact CB-SD 4.2Å; F78-M211 HydrophobicContact CB-SD 4.45Å; F78-M211 HydrophobicContact CD1-CG 4.19Å; F78-M211 HydrophobicContact CD1-SD 3.68Å; F78-M211 HydrophobicContact CE1-SD 4.42Å; F78-M211 HydrophobicContact CG-SD 4.46Å; F78-Y215 HydrophobicContact CB-CE2 4.25Å; F78-Y215 AromaticContact CD2-CD2 3.92Å; F78-Y215 HydrophobicContact CD2-CD2 3.92Å; F78-Y215 AromaticContact CD2-CE2 3.74Å; F78-Y215 HydrophobicContact CD2-CE2 3.74Å; F78-Y215 HydrophobicContact CE2-CD2 4.43Å; F78-Y215 HydrophobicContact CG-CD2 4.31Å; F78-Y215 HydrophobicContact CG-CE2 4.28Å; F78-A224 HydrophobicContact CE2-CB 4.1Å; F78-A224 HydrophobicContact CZ-CB 4.22Å; F78-L227 HydrophobicContact CZ-CD2 4.3Å; F78-A228 HydrophobicContact CE1-CB 3.83Å; F78-A228 HydrophobicContact CZ-CB 4.21Å
79	K	98.4	Very high	91.3	Very high	20 Å²	20	22.6 Å²	22.6	9%	0.087	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	150.6	173.6	-54.5	-175.2	-165.4	166.4	0	109.6	G83 V84 L183 G195 Q196 Y215	K79-G83 CarbonylContact C-O 3.53Å; K79-G83 WeakPolarHBondContact CA-O 3.41Å; K79-V84 HydrophobicContact CG-CG1 4.46Å; K79-V84 HydrophobicContact CG-CG2 4.07Å; K79-L183 HydrophobicContact CD-CB 4.34Å; K79-L183 VanDerWaalsContact CE-N 3.32Å; K79-L183 HydrophobicContact CG-CB 4.11Å; K79-L183 HydrophobicContact CG-CD2 4.46Å; K79-G195 WeakPolarHBondContact CE-O 3.31Å; K79-G195 PolarHBondContact NZ-O 3.35Å; K79-Q196 PolarHBondContact N-O 3.01Å; K79-Y215 VanDerWaalsContact O-CE2 3.23Å; K79-Y215 WeakPolarHBondContact O-CE2 3.1Å; K79-Y215 PolarHBondContact O-OH 2.98Å
80	F	97.8	Very high	93.1	Very high	11 Å²	11	18.6 Å²	18.6	5%	0.048	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	179.6	171.9	72.8	-63.2	0	0	0	108.8	H82 G83 I85 L219 A224 H250	F80-H82 HydrophobicContact CD2-CB 4.22Å; F80-H82 HydrophobicContact CE1-CB 4.47Å; F80-H82 HydrophobicContact CE2-CB 3.54Å; F80-H82 AromaticContact CE2-CD2 3.73Å; F80-H82 HydrophobicContact CZ-CB 3.68Å; F80-H82 PolarHBondContact O-N 2.8Å; F80-G83 WeakPolarHBondContact CD1-O 3.12Å; F80-G83 PolarHBondContact N-O 3.39Å; F80-G83 PolarHBondContact O-N 2.88Å; F80-G83 VanDerWaalsContact O-O 3.1Å; F80-I85 HydrophobicContact CD1-CG1 4.12Å; F80-I85 HydrophobicContact CE1-CD1 3.68Å; F80-I85 HydrophobicContact CE1-CG1 3.63Å; F80-I85 HydrophobicContact CZ-CD1 3.98Å; F80-I85 HydrophobicContact CZ-CG1 4.22Å; F80-L219 HydrophobicContact CD2-CB 4.36Å; F80-L219 WeakPolarHBondContact CD2-O 3.43Å; F80-A224 HydrophobicContact CD2-CB 4.07Å; F80-A224 HydrophobicContact CE1-CB 4.5Å; F80-A224 HydrophobicContact CE2-CB 3.82Å; F80-A224 HydrophobicContact CG-CB 4.47Å; F80-A224 HydrophobicContact CZ-CB 4.07Å; F80-H250 AromaticContact CE1-NE2 3.78Å; F80-H250 AromaticContact CZ-CE1 3.87Å; F80-H250 AromaticContact CZ-NE2 3.62Å
81	Q	96.8	Very high	94.8	Very high	137 Å²	137	19 Å²	19	64%	0.64	9%	0.088	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-34	-174.2	-171.4	175.5	23.6	0	0	113.9	Q217	Q81-Q217 WeakPolarHBondContact CB-O 3.24Å; Q81-Q217 PolarHBondContact N-O 2.75Å
82	H	97.1	Very high	96.3	Very high	83 Å²	83	17 Å²	17	38%	0.384	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	4.9	-176.6	-53.4	-72.5	0	0	0	114.6	F80 L219 P221 H250	F80-H82 HydrophobicContact CD2-CB 4.22Å; F80-H82 HydrophobicContact CE1-CB 4.47Å; F80-H82 HydrophobicContact CE2-CB 3.54Å; F80-H82 AromaticContact CE2-CD2 3.73Å; F80-H82 HydrophobicContact CZ-CB 3.68Å; F80-H82 PolarHBondContact O-N 2.8Å; H82-L219 PolarHBondContact CD2-O 3.45Å; H82-P221 HydrophobicContact CB-CG 4.37Å; H82-H250 PolarHBondContact O-NE2 2.83Å
83	G	97.1	Very high	97.1	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	139.2	-133.8	174.2	0	0	0	0	0	114.5	K79 F80 M251	K79-G83 CarbonylContact C-O 3.53Å; K79-G83 WeakPolarHBondContact CA-O 3.41Å; F80-G83 WeakPolarHBondContact CD1-O 3.12Å; F80-G83 PolarHBondContact N-O 3.39Å; F80-G83 PolarHBondContact O-N 2.88Å; F80-G83 VanDerWaalsContact O-O 3.1Å; G83-M251 WeakPolarHBondContact CA-O 3.3Å
84	V	98.5	Very high	96.9	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	129.4	178.7	-165	0	0	0	0	109.6	F78 K79 C174 P181 L183 M251	F78-V84 WeakPolarHBondContact O-CA 3.45Å; F78-V84 WeakPolarHBondContact O-CG1 3.46Å; K79-V84 HydrophobicContact CG-CG1 4.46Å; K79-V84 HydrophobicContact CG-CG2 4.07Å; V84-C174 HydrophobicContact CG1-CB 4.26Å; V84-P181 HydrophobicContact CG2-CB 3.6Å; V84-L183 HydrophobicContact CG1-CD1 4.4Å; V84-M251 HydrophobicContact CB-CB 3.97Å; V84-M251 HydrophobicContact CG2-CB 4.43Å; V84-M251 PolarHBondContact N-O 3.2Å; V84-M251 VanDerWaalsContact N-O 3.11Å; V84-M251 PolarHBondContact O-N 3.3Å
85	I	98.6	Very high	96.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	136.7	168.1	-58.6	-54.4	0	0	0	108.6	A77 F78 F80 A224 Y225 A228 M248 H250	A77-I85 CarbonylContact C-O 3.59Å; A77-I85 WeakPolarHBondContact CA-O 3.38Å; A77-I85 WeakPolarHBondContact CB-O 3.39Å; F78-I85 HydrophobicContact CE1-CB 4.07Å; F78-I85 HydrophobicContact CE1-CG2 4.25Å; F78-I85 HydrophobicContact CE2-CB 4.13Å; F78-I85 HydrophobicContact CE2-CG1 3.98Å; F78-I85 HydrophobicContact CZ-CB 3.86Å; F78-I85 HydrophobicContact CZ-CG1 3.93Å; F78-I85 HydrophobicContact CZ-CG2 4.27Å; F78-I85 PolarHBondContact N-O 2.85Å; F78-I85 PolarHBondContact O-N 2.82Å; F80-I85 HydrophobicContact CD1-CG1 4.12Å; F80-I85 HydrophobicContact CE1-CD1 3.68Å; F80-I85 HydrophobicContact CE1-CG1 3.63Å; F80-I85 HydrophobicContact CZ-CD1 3.98Å; F80-I85 HydrophobicContact CZ-CG1 4.22Å; I85-A224 HydrophobicContact CG1-CB 3.99Å; I85-Y225 HydrophobicContact CD1-CD1 3.73Å; I85-Y225 HydrophobicContact CD1-CE1 3.57Å; I85-A228 HydrophobicContact CG2-CB 3.53Å; I85-M248 HydrophobicContact CG2-CG 4.03Å; I85-M248 HydrophobicContact CG2-SD 3.86Å; I85-H250 HydrophobicContact CD1-CB 3.96Å
86	V	98.7	Very high	95.9	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	124.7	169.9	-178.4	0	0	0	0	107.4	A77 V88 V106 T116 C174 M248 Y249	A77-V86 HydrophobicContact CB-CG2 4.03Å; V86-V88 HydrophobicContact CG1-CG1 4.46Å; V86-V106 HydrophobicContact CG1-CG2 4.06Å; V86-T116 HydrophobicContact CG1-CG2 3.51Å; V86-C174 HydrophobicContact CG2-CB 3.96Å; V86-C174 VanDerWaalsContact CG2-SG 3.52Å; V86-M248 CarbonylContact O-C 3.48Å; V86-M248 WeakPolarHBondContact O-CA 3.45Å; V86-Y249 PolarHBondContact N-O 3.08Å; V86-Y249 PolarHBondContact O-N 3.33Å
87	A	98.5	Very high	95.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	137.7	176.8	0	0	0	0	0	110.3	L76 A228 I232 N247 M248	L76-A87 HydrophobicContact CD1-CB 3.92Å; L76-A87 HydrophobicContact CG-CB 4.17Å; L76-A87 PolarHBondContact N-O 2.95Å; L76-A87 PolarHBondContact O-N 3.47Å; A87-A228 HydrophobicContact CB-CB 4.04Å; A87-I232 HydrophobicContact CB-CG1 3.8Å; A87-N247 WeakPolarHBondContact CA-O 3.33Å; A87-M248 HydrophobicContact CB-CB 4.48Å; A87-M248 HydrophobicContact CB-CG 4.35Å
88	V	98.4	Very high	95.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	149.3	-177.7	-54.2	0	0	0	0	110.6	T75 V86 K105 V106 T116 V246 N247	T75-V88 HydrophobicContact CG2-CB 4.01Å; T75-V88 HydrophobicContact CG2-CG1 3.54Å; V86-V88 HydrophobicContact CG1-CG1 4.46Å; V88-K105 HydrophobicContact CB-CB 4.05Å; V88-K105 HydrophobicContact CG1-CB 4.44Å; V88-K105 HydrophobicContact CG2-CB 3.88Å; V88-V106 HydrophobicContact CB-CG2 4.4Å; V88-V106 HydrophobicContact CG1-CG2 3.7Å; V88-V106 HydrophobicContact CG2-CG2 3.69Å; V88-T116 HydrophobicContact CG1-CG2 4.36Å; V88-V246 WeakPolarHBondContact O-CA 3.2Å; V88-N247 HydrophobicContact CG2-CB 3.87Å; V88-N247 PolarHBondContact N-O 2.81Å; V88-N247 PolarHBondContact O-N 2.72Å
89	D	98	Very high	95.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.244	C	C	.	.			trans	-76	179.3	163.1	88.5	-59.2	0	0	0	110.9	T74 R91 K105 I232 T236 S242 G243 V245	T74-D89 PolarHBondContact N-OD1 2.89Å; T74-D89 PolarHBondContact O-N 3.38Å; T74-D89 VanDerWaalsContact O-OD1 3.14Å; D89-R91 PolarHBondContact OD2-N 3.44Å; D89-K105 WeakPolarHBondContact O-CD 3.23Å; D89-K105 IonicContact OD1-NZ 2.72Å; D89-K105 PolarHBondContact OD1-NZ 3.24Å; D89-K105 IonicContact OD2-NZ 3.08Å; D89-K105 PolarHBondContact OD2-NZ 3.41Å; D89-K105 VanDerWaalsContact OD2-NZ 3.08Å; D89-I232 HydrophobicContact CB-CG2 4.13Å; D89-T236 HydrophobicContact CB-CG2 3.89Å; D89-S242 VanDerWaalsContact OD2-CA 3.31Å; D89-S242 WeakPolarHBondContact OD2-CA 3.35Å; D89-G243 PolarHBondContact OD2-N 2.97Å; D89-V245 CarbonylContact C-O 3.58Å
90	S	97.4	Very high	94.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.26	C	S	.	.			trans	-128.8	-0.6	-176.2	73.6	0	0	0	0	115.3	I101 V103 G243 V245	S90-I101 CarbonylContact C-O 3.48Å; S90-I101 CarbonylContact O-C 3.6Å; S90-I101 PolarHBondContact OG-O 3.43Å; S90-V103 WeakPolarHBondContact CA-O 3.37Å; S90-V103 VanDerWaalsContact CB-O 3.22Å; S90-V103 WeakPolarHBondContact CB-O 3.27Å; S90-V103 WeakPolarHBondContact O-CB 2.86Å; S90-V103 PolarHBondContact O-N 2.93Å; S90-G243 PolarHBondContact N-O 3.28Å; S90-V245 PolarHBondContact N-O 2.77Å; S90-V245 WeakPolarHBondContact OG-CG2 3.49Å; S90-V245 PolarHBondContact OG-N 3.15Å
91	R	96.2	Very high	94.8	Very high	58 Å²	58	48.6 Å²	48.6	22%	0.219	28%	0.281	C	S	.	.			trans	-72.8	134.6	-177.9	178.2	174.8	-71.1	173.6	3.3	111.2	D89 I98 K105 S240 Y241 S242 G243	D89-R91 PolarHBondContact OD2-N 3.44Å; R91-I98 HydrophobicContact CG-CG2 4.11Å; R91-K105 WeakPolarHBondContact O-CE 3.33Å; R91-K105 PolarHBondContact O-NZ 3.48Å; R91-S240 PolarHBondContact NH1-O 2.9Å; R91-Y241 WeakPolarHBondContact CD-O 3.28Å; R91-S242 PolarHBondContact NH1-O 3.4Å; R91-G243 PolarHBondContact N-O 2.93Å
92	A	94.3	Very high	94.8	Very high	30 Å²	30	50 Å²	50	25%	0.248	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	126.8	166.9	0	0	0	0	0	109.7	A99 T100 V103	A92-A99 PolarHBondContact O-N 3.13Å; A92-T100 PolarHBondContact N-O 2.88Å; A92-T100 PolarHBondContact O-N 3.5Å; A92-T100 VanDerWaalsContact O-N 3.1Å; A92-V103 HydrophobicContact CB-CB 4.46Å; A92-V103 HydrophobicContact CB-CG2 3.58Å
93	S	89.4	Confident	94.8	Very high	35 Å²	35	47.6 Å²	47.6	25%	0.245	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	143.2	-177	52.7	0	0	0	0	111.7	Y97	S93-Y97 CarbonylContact C-O 3.53Å; S93-Y97 VanDerWaalsContact CA-O 3.31Å; S93-Y97 WeakPolarHBondContact CA-O 3.16Å
94	A	88.5	Confident	94.5	Very high	66 Å²	66	51 Å²	51	55%	0.545	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	92	168.8	0	0	0	0	0	107.7	Y97 A99	A94-Y97 PolarHBondContact N-O 2.93Å; A94-Y97 PolarHBondContact O-N 2.93Å; A94-A99 HydrophobicContact CB-CB 4.4Å
95	G	86.4	Confident	94.5	Very high	46 Å²	46	51.2 Å²	51.2	47%	0.474	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.3	-132.9	-164.3	0	0	0	0	0	110.8	Y97 Y241	G95-Y97 VanDerWaalsContact C-N 3.31Å; G95-Y241 WeakPolarHBondContact O-CE1 3.45Å
96	S	87.8	Confident	94.4	Very high	119 Å²	119	51.3 Å²	51.3	83%	0.832	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-15.3	176.4	56.5	0	0	0	0	114.2
97	Y	91	Very high	94.3	Very high	165 Å²	165	52.8 Å²	52.8	65%	0.647	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.6	129.2	-179.6	178.4	-104.7	0	0	0	111.2	S93 A94 G95 A99	S93-Y97 CarbonylContact C-O 3.53Å; S93-Y97 VanDerWaalsContact CA-O 3.31Å; S93-Y97 WeakPolarHBondContact CA-O 3.16Å; A94-Y97 PolarHBondContact N-O 2.93Å; A94-Y97 PolarHBondContact O-N 2.93Å; G95-Y97 VanDerWaalsContact C-N 3.31Å; Y97-A99 HydrophobicContact CD1-CB 4.49Å; Y97-A99 PolarHBondContact O-N 3.24Å
98	I	94.4	Very high	94.3	Very high	66 Å²	66	57.1 Å²	57.1	34%	0.338	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	102.6	173.8	-60.4	170.8	0	0	0	108.3	R91 I101	R91-I98 HydrophobicContact CG-CG2 4.11Å; I98-I101 HydrophobicContact CG2-CG1 3.98Å
99	A	93.7	Very high	94.2	Very high	49 Å²	49	57.8 Å²	57.8	41%	0.405	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	-39.2	180	0	0	0	0	0	112	A92 A94 Y97	A92-A99 PolarHBondContact O-N 3.13Å; A94-A99 HydrophobicContact CB-CB 4.4Å; Y97-A99 HydrophobicContact CD1-CB 4.49Å; Y97-A99 PolarHBondContact O-N 3.24Å
100	T	95.5	Very high	94	Very high	68 Å²	68	60 Å²	60	42%	0.417	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	136.2	177.5	-66.9	0	0	0	0	110.3	A92 V103	A92-T100 PolarHBondContact N-O 2.88Å; A92-T100 PolarHBondContact O-N 3.5Å; A92-T100 VanDerWaalsContact O-N 3.1Å; T100-V103 HydrophobicContact CG2-CG2 3.63Å
101	I	95.8	Very high	94	Very high	97 Å²	97	64 Å²	64	50%	0.497	36%	0.36	S	S	.	.	S	Bend	trans	-82	-32.1	179.4	-61.1	170	0	0	0	111.3	S90 I98	S90-I101 CarbonylContact C-O 3.48Å; S90-I101 CarbonylContact O-C 3.6Å; S90-I101 PolarHBondContact OG-O 3.43Å; I98-I101 HydrophobicContact CG2-CG1 3.98Å
102	R	96.1	Very high	94	Very high	168 Å²	168	64.3 Å²	64.3	63%	0.634	36%	0.362	S	S	*	.			trans	-122	77.6	-171.1	-64.5	-175	178.1	-150.3	-4.4	112.6	V245 D263	R102-V245 HydrophobicContact CG-CG1 4.3Å; R102-D263 IonicContact NH2-OD2 3.6Å
103	V	95.8	Very high	94.1	Very high	31 Å²	31	63.1 Å²	63.1	19%	0.188	35%	0.351	C	S	.	.			trans	-98.4	136.4	168.6	179.3	0	0	0	0	109.8	S90 A92 T100 K105 M117	S90-V103 WeakPolarHBondContact CA-O 3.37Å; S90-V103 VanDerWaalsContact CB-O 3.22Å; S90-V103 WeakPolarHBondContact CB-O 3.27Å; S90-V103 WeakPolarHBondContact O-CB 2.86Å; S90-V103 PolarHBondContact O-N 2.93Å; A92-V103 HydrophobicContact CB-CB 4.46Å; A92-V103 HydrophobicContact CB-CG2 3.58Å; T100-V103 HydrophobicContact CG2-CG2 3.63Å; V103-K105 HydrophobicContact CG1-CG 4.32Å; V103-K105 PolarHBondContact O-N 3.43Å; V103-M117 HydrophobicContact CG1-CE 3.56Å
104	N	92.6	Very high	94.6	Very high	73 Å²	73	61.5 Å²	61.5	39%	0.39	34%	0.34	S	S	.	.			trans	-79.6	111.1	170.1	-172.4	13.3	0	0	0	109.7	V106	N104-V106 PolarHBondContact ND2-O 2.89Å; N104-V106 VanDerWaalsContact ND2-O 3.16Å; N104-V106 PolarHBondContact OD1-N 3.14Å; N104-V106 PolarHBondContact OD1-O 2.91Å
105	K	96.8	Very high	95	Very high	3 Å²	3	58.3 Å²	58.3	1%	0.013	31%	0.314	C	S	.	.			trans	-98.2	8.5	179.4	-55.2	-174	-169.3	174.2	0	113.9	T73 V88 D89 R91 V103 T116 M117	T73-K105 HydrophobicContact CG2-CD 3.61Å; T73-K105 PolarHBondContact OG1-NZ 2.9Å; V88-K105 HydrophobicContact CB-CB 4.05Å; V88-K105 HydrophobicContact CG1-CB 4.44Å; V88-K105 HydrophobicContact CG2-CB 3.88Å; D89-K105 WeakPolarHBondContact O-CD 3.23Å; D89-K105 IonicContact OD1-NZ 2.72Å; D89-K105 PolarHBondContact OD1-NZ 3.24Å; D89-K105 IonicContact OD2-NZ 3.08Å; D89-K105 PolarHBondContact OD2-NZ 3.41Å; D89-K105 VanDerWaalsContact OD2-NZ 3.08Å; R91-K105 WeakPolarHBondContact O-CE 3.33Å; R91-K105 PolarHBondContact O-NZ 3.48Å; V103-K105 HydrophobicContact CG1-CG 4.32Å; V103-K105 PolarHBondContact O-N 3.43Å; K105-T116 CarbonylContact O-C 3.56Å; K105-T116 WeakPolarHBondContact O-CA 3.41Å; K105-M117 HydrophobicContact CB-CB 4.22Å; K105-M117 HydrophobicContact CB-CE 4.35Å; K105-M117 HydrophobicContact CG-CE 3.93Å; K105-M117 PolarHBondContact O-N 3.04Å
106	V	97.9	Very high	95.6	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.012	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	120.3	165.9	-179.8	0	0	0	0	108.1	V86 V88 N104 L114 G115 Y249	V86-V106 HydrophobicContact CG1-CG2 4.06Å; V88-V106 HydrophobicContact CB-CG2 4.4Å; V88-V106 HydrophobicContact CG1-CG2 3.7Å; V88-V106 HydrophobicContact CG2-CG2 3.69Å; N104-V106 PolarHBondContact ND2-O 2.89Å; N104-V106 VanDerWaalsContact ND2-O 3.16Å; N104-V106 PolarHBondContact OD1-N 3.14Å; N104-V106 PolarHBondContact OD1-O 2.91Å; V106-L114 HydrophobicContact CG1-CB 4.14Å; V106-L114 HydrophobicContact CG1-CD1 4.16Å; V106-L114 HydrophobicContact CG1-CD2 3.85Å; V106-L114 HydrophobicContact CG1-CG 4.28Å; V106-G115 CarbonylContact C-O 3.19Å; V106-G115 WeakPolarHBondContact CA-O 2.99Å; V106-Y249 HydrophobicContact CB-CD2 4Å; V106-Y249 HydrophobicContact CB-CE2 3.72Å; V106-Y249 HydrophobicContact CG1-CD1 4.44Å; V106-Y249 HydrophobicContact CG1-CD2 3.96Å; V106-Y249 HydrophobicContact CG1-CE1 4.42Å; V106-Y249 HydrophobicContact CG1-CE2 3.96Å; V106-Y249 HydrophobicContact CG1-CG 4.23Å; V106-Y249 HydrophobicContact CG2-CD2 3.79Å; V106-Y249 HydrophobicContact CG2-CE2 3.88Å
107	I	96.8	Very high	96	Very high	32 Å²	32	50.8 Å²	50.8	16%	0.164	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	120.2	175.9	-60.7	175.2	0	0	0	108.1	I109 G115 Q125 E128	I107-I109 HydrophobicContact CG2-CG1 4.34Å; I107-I109 PolarHBondContact O-N 3.03Å; I107-G115 PolarHBondContact N-O 2.93Å; I107-G115 PolarHBondContact O-N 2.9Å; I107-Q125 HydrophobicContact CD1-CG 4.18Å; I107-E128 HydrophobicContact CB-CB 4.47Å; I107-E128 VanDerWaalsContact CB-OE2 3.31Å; I107-E128 WeakPolarHBondContact CB-OE2 3.39Å; I107-E128 HydrophobicContact CD1-CB 3.86Å; I107-E128 HydrophobicContact CD1-CG 4.25Å; I107-E128 WeakPolarHBondContact CD1-OE2 3.49Å; I107-E128 HydrophobicContact CG2-CB 4.09Å
108	E	97.4	Very high	96.1	Very high	92 Å²	92	43.2 Å²	43.2	43%	0.43	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	81.6	179.2	-63.6	169.4	-168.5	0	0	109.2	N110 L114 Y249 W256	E108-N110 PolarHBondContact O-N 3.17Å; E108-L114 HydrophobicContact CB-CD2 4.45Å; E108-L114 HydrophobicContact CG-CD2 4.05Å; E108-Y249 HydrophobicContact CG-CE1 4.32Å; E108-Y249 WeakPolarHBondContact OE1-CE1 3.48Å; E108-Y249 PolarHBondContact OE1-OH 3.35Å; E108-W256 HydrophobicContact CB-CH2 4.45Å; E108-W256 HydrophobicContact CB-CZ2 3.78Å; E108-W256 VanDerWaalsContact CD-CZ2 3.45Å; E108-W256 HydrophobicContact CG-CH2 3.75Å; E108-W256 HydrophobicContact CG-CZ2 3.5Å; E108-W256 VanDerWaalsContact CG-CZ2 3.5Å; E108-W256 WeakPolarHBondContact OE1-CH2 3.47Å; E108-W256 VanDerWaalsContact OE2-CH2 3.25Å; E108-W256 WeakPolarHBondContact OE2-CH2 3.28Å; E108-W256 WeakPolarHBondContact OE2-CZ2 3.32Å
109	I	96.1	Very high	96	Very high	13 Å²	13	40.8 Å²	40.8	7%	0.067	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	-46.5	-176.2	-61	166.2	0	0	0	110.4	I107 L113 L131 A132 I173	I107-I109 HydrophobicContact CG2-CG1 4.34Å; I107-I109 PolarHBondContact O-N 3.03Å; I109-L113 HydrophobicContact CB-CB 4.36Å; I109-L113 HydrophobicContact CB-CD2 4.33Å; I109-L113 WeakPolarHBondContact CB-O 3.36Å; I109-L113 HydrophobicContact CD1-CD2 4.06Å; I109-L113 HydrophobicContact CD1-CG 4.24Å; I109-L113 HydrophobicContact CG2-CD2 3.94Å; I109-L113 PolarHBondContact N-O 3.38Å; I109-L131 HydrophobicContact CD1-CD2 3.92Å; I109-A132 HydrophobicContact CB-CB 4.49Å; I109-A132 HydrophobicContact CG2-CB 3.68Å; I109-I173 HydrophobicContact CD1-CD1 4Å
110	N	94.7	Very high	95.9	Very high	46 Å²	46	40.8 Å²	40.8	25%	0.246	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	175.8	169.8	64.4	54.3	0	0	0	109.4	E108 Y112 L113 W256	E108-N110 PolarHBondContact O-N 3.17Å; N110-Y112 PolarHBondContact O-N 2.85Å; N110-Y112 WeakPolarHBondContact OD1-CA 3.11Å; N110-Y112 PolarHBondContact OD1-N 3.01Å; N110-L113 PolarHBondContact N-O 3.17Å; N110-L113 PolarHBondContact O-N 3.44Å; N110-L113 VanDerWaalsContact OD1-CB 3.32Å; N110-L113 WeakPolarHBondContact OD1-CB 3.37Å; N110-L113 PolarHBondContact OD1-N 3.43Å; N110-W256 PolarHBondContact O-NE1 3.23Å
111	P	96.3	Very high	95.7	Very high	84 Å²	84	39.7 Å²	39.7	55%	0.545	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-9.3	-177.9	-26.3	36.1	0	0	0	116.2	G255 W256	P111-G255 CarbonylContact O-C 3.6Å; P111-G255 WeakPolarHBondContact O-CA 3.49Å; P111-W256 VanDerWaalsContact C-CD1 3.41Å; P111-W256 PolarHBondContact O-N 3.38Å; P111-W256 VanDerWaalsContact O-N 3.08Å
112	Y	96.6	Very high	95.6	Very high	66 Å²	66	38.1 Å²	38.1	26%	0.259	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.4	5.8	-176	-51.3	-84.9	0	0	0	113.2	N110 R145 G175 W176 D254	N110-Y112 PolarHBondContact O-N 2.85Å; N110-Y112 WeakPolarHBondContact OD1-CA 3.11Å; N110-Y112 PolarHBondContact OD1-N 3.01Å; Y112-R145 VanDerWaalsContact CE2-NH1 3.29Å; Y112-R145 VanDerWaalsContact CZ-NH2 3.35Å; Y112-R145 PolarHBondContact OH-NH1 3.36Å; Y112-R145 PolarHBondContact OH-NH2 3.29Å; Y112-G175 VanDerWaalsContact O-CA 3.24Å; Y112-G175 WeakPolarHBondContact O-CA 3.21Å; Y112-W176 PolarHBondContact O-N 3.2Å; Y112-D254 WeakPolarHBondContact CE1-O 3.39Å
113	L	97.8	Very high	95.5	Very high	5 Å²	5	31.7 Å²	31.7	3%	0.026	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	124.5	-176.7	-160.5	76.2	0	0	0	109.4	I109 N110 V148 A151 I173 C174	I109-L113 HydrophobicContact CB-CB 4.36Å; I109-L113 HydrophobicContact CB-CD2 4.33Å; I109-L113 WeakPolarHBondContact CB-O 3.36Å; I109-L113 HydrophobicContact CD1-CD2 4.06Å; I109-L113 HydrophobicContact CD1-CG 4.24Å; I109-L113 HydrophobicContact CG2-CD2 3.94Å; I109-L113 PolarHBondContact N-O 3.38Å; N110-L113 PolarHBondContact N-O 3.17Å; N110-L113 PolarHBondContact O-N 3.44Å; N110-L113 VanDerWaalsContact OD1-CB 3.32Å; N110-L113 WeakPolarHBondContact OD1-CB 3.37Å; N110-L113 PolarHBondContact OD1-N 3.43Å; L113-V148 HydrophobicContact CD1-CB 4.35Å; L113-V148 HydrophobicContact CD1-CG1 3.96Å; L113-V148 HydrophobicContact CD1-CG2 4.13Å; L113-A151 HydrophobicContact CD2-CB 3.67Å; L113-I173 HydrophobicContact CD1-CG2 3.76Å; L113-I173 HydrophobicContact CD2-CG2 4.22Å; L113-I173 HydrophobicContact CG-CG2 4.07Å; L113-C174 CarbonylContact C-O 3.59Å; L113-C174 WeakPolarHBondContact CA-O 3.2Å; L113-C174 WeakPolarHBondContact CD1-O 3.18Å
114	L	98.6	Very high	95.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	148.2	173	-61.6	173.2	0	0	0	109.4	V106 E108 C174 Y249 M251 W256	V106-L114 HydrophobicContact CG1-CB 4.14Å; V106-L114 HydrophobicContact CG1-CD1 4.16Å; V106-L114 HydrophobicContact CG1-CD2 3.85Å; V106-L114 HydrophobicContact CG1-CG 4.28Å; E108-L114 HydrophobicContact CB-CD2 4.45Å; E108-L114 HydrophobicContact CG-CD2 4.05Å; L114-C174 PolarHBondContact N-O 2.87Å; L114-C174 PolarHBondContact O-N 2.97Å; L114-Y249 HydrophobicContact CD1-CD1 3.97Å; L114-Y249 HydrophobicContact CD1-CG 4.03Å; L114-Y249 HydrophobicContact CD2-CD1 4.36Å; L114-M251 HydrophobicContact CB-CE 4.35Å; L114-M251 HydrophobicContact CD1-CE 4Å; L114-M251 HydrophobicContact CG-CE 3.73Å; L114-W256 HydrophobicContact CD1-CB 3.78Å; L114-W256 HydrophobicContact CD1-CG 4Å; L114-W256 HydrophobicContact CD2-CB 4.37Å; L114-W256 VanDerWaalsContact CD2-CD1 3.49Å; L114-W256 HydrophobicContact CD2-CD2 3.85Å; L114-W256 HydrophobicContact CD2-CG 3.66Å; L114-W256 HydrophobicContact CG-CB 4.1Å; L114-W256 HydrophobicContact CG-CG 3.87Å
115	G	98.2	Very high	95.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	153.9	166.7	0	0	0	0	0	110.8	V106 I107 E128 M172	V106-G115 CarbonylContact C-O 3.19Å; V106-G115 WeakPolarHBondContact CA-O 2.99Å; I107-G115 PolarHBondContact N-O 2.93Å; I107-G115 PolarHBondContact O-N 2.9Å; G115-E128 WeakPolarHBondContact CA-OE2 3.35Å; G115-M172 WeakPolarHBondContact CA-O 3.41Å
116	T	97.9	Very high	95.6	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	138.1	179	63.8	0	0	0	0	111	V86 V88 K105 S171 M172	V86-T116 HydrophobicContact CG1-CG2 3.51Å; V88-T116 HydrophobicContact CG1-CG2 4.36Å; K105-T116 CarbonylContact O-C 3.56Å; K105-T116 WeakPolarHBondContact O-CA 3.41Å; T116-S171 PolarHBondContact N-OG 3.44Å; T116-S171 VanDerWaalsContact O-CA 3.26Å; T116-S171 WeakPolarHBondContact O-CA 3.12Å; T116-S171 VanDerWaalsContact O-CB 3.25Å; T116-S171 WeakPolarHBondContact O-CB 3.49Å; T116-S171 PolarHBondContact O-OG 3.29Å; T116-M172 HydrophobicContact CG2-CB 4.2Å; T116-M172 HydrophobicContact CG2-CE 3.81Å; T116-M172 PolarHBondContact N-O 3.24Å; T116-M172 WeakPolarHBondContact OG1-CB 3.37Å; T116-M172 WeakPolarHBondContact OG1-CE 3.36Å; T116-M172 PolarHBondContact OG1-N 2.82Å
117	M	95.8	Very high	95.6	Very high	6 Å²	6	36.7 Å²	36.7	3%	0.03	20%	0.204	C	C	.	.			trans	-94	114.3	179.2	175.6	164.6	74.8	0	0	111	V103 K105 A121 C124 Q125	V103-M117 HydrophobicContact CG1-CE 3.56Å; K105-M117 HydrophobicContact CB-CB 4.22Å; K105-M117 HydrophobicContact CB-CE 4.35Å; K105-M117 HydrophobicContact CG-CE 3.93Å; K105-M117 PolarHBondContact O-N 3.04Å; M117-A121 HydrophobicContact CE-CB 4.35Å; M117-A121 VanDerWaalsContact SD-CA 3.6Å; M117-A121 HydrophobicContact SD-CB 3.85Å; M117-C124 HydrophobicContact CB-CB 3.95Å; M117-C124 HydrophobicContact CG-CB 3.5Å; M117-C124 HydrophobicContact SD-CB 4.05Å; M117-Q125 HydrophobicContact SD-CG 3.81Å
118	S	93.8	Very high	95.6	Very high	5 Å²	5	35.2 Å²	35.2	4%	0.035	20%	0.197	C	C	.	.			trans	-143.7	133.3	168.3	167.3	0	0	0	0	110	C124 M169 G170 T200 G201	S118-C124 PolarHBondContact O-SG 2.82Å; S118-M169 CarbonylContact O-C 3.51Å; S118-G170 WeakPolarHBondContact CB-O 3.34Å; S118-G170 PolarHBondContact O-N 3.16Å; S118-T200 WeakPolarHBondContact CB-OG1 3.24Å; S118-T200 PolarHBondContact OG-OG1 3.41Å; S118-G201 VanDerWaalsContact OG-CA 3.26Å; S118-G201 WeakPolarHBondContact OG-CA 3.34Å; S118-G201 PolarHBondContact OG-N 2.92Å
119	G	91.8	Very high	95.6	Very high	16 Å²	16	40.4 Å²	40.4	17%	0.165	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	108.4	-147.5	-168	0	0	0	0	0	111.3	A121 S168	G119-A121 PolarHBondContact O-N 3.04Å; G119-S168 WeakPolarHBondContact CA-OG 3.42Å
120	C	92.3	Very high	95.6	Very high	49 Å²	49	40.6 Å²	40.6	33%	0.331	21%	0.213	S	C	.	.			trans	-64.4	122	174.7	178.9	0	0	0	0	110.2	A122 D123 C124 S168	C120-A122 VanDerWaalsContact C-N 3.28Å; C120-A122 PolarHBondContact O-N 3.09Å; C120-D123 HydrophobicContact CB-CB 3.98Å; C120-D123 WeakPolarHBondContact CB-OD2 3.32Å; C120-D123 PolarHBondContact O-N 3.15Å; C120-C124 PolarHBondContact O-N 2.98Å; C120-C124 VanDerWaalsContact O-N 3.14Å; C120-C124 PolarHBondContact O-SG 3.11Å; C120-S168 WeakPolarHBondContact CB-O 3.06Å; C120-S168 PolarHBondContact N-O 2.61Å; C120-S168 PolarHBondContact N-OG 3.3Å
121	A	91.8	Very high	95.7	Very high	45 Å²	45	38.4 Å²	38.4	37%	0.372	20%	0.202	S	C	.	.	H	α-helix	trans	-60.9	-37.9	-178.2	0	0	0	0	0	112.3	M117 G119 Q125	M117-A121 HydrophobicContact CE-CB 4.35Å; M117-A121 VanDerWaalsContact SD-CA 3.6Å; M117-A121 HydrophobicContact SD-CB 3.85Å; G119-A121 PolarHBondContact O-N 3.04Å; A121-Q125 WeakPolarHBondContact O-CB 3.37Å; A121-Q125 VanDerWaalsContact O-CG 3.23Å; A121-Q125 WeakPolarHBondContact O-CG 3.12Å; A121-Q125 PolarHBondContact O-N 3.01Å; A121-Q125 VanDerWaalsContact O-N 3.08Å
122	A	92.4	Very high	95.8	Very high	64 Å²	64	35.5 Å²	35.5	53%	0.529	19%	0.185	S	C	.	.	H	α-helix	trans	-66.6	-44.1	179	0	0	0	0	0	111.8	C120 Q125 Y126	C120-A122 VanDerWaalsContact C-N 3.28Å; C120-A122 PolarHBondContact O-N 3.09Å; A122-Q125 PolarHBondContact O-N 3.15Å; A122-Y126 VanDerWaalsContact O-CB 3.28Å; A122-Y126 WeakPolarHBondContact O-CB 3.43Å; A122-Y126 PolarHBondContact O-N 3.38Å
123	D	93.9	Very high	95.8	Very high	32 Å²	32	38.3 Å²	38.3	17%	0.171	20%	0.198	C	C	.	.	H	α-helix	trans	-61.8	-50.4	179.8	-65.6	-14.1	0	0	0	110.7	C120 Q125 Y126 W127 S168	C120-D123 HydrophobicContact CB-CB 3.98Å; C120-D123 WeakPolarHBondContact CB-OD2 3.32Å; C120-D123 PolarHBondContact O-N 3.15Å; D123-Q125 PolarHBondContact O-N 3.32Å; D123-Y126 PolarHBondContact O-N 3.47Å; D123-W127 WeakPolarHBondContact O-CB 3.34Å; D123-W127 PolarHBondContact O-N 3.07Å; D123-S168 PolarHBondContact OD2-N 2.82Å
124	C	95.4	Very high	95.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59.8	-49.1	179.5	-59.7	0	0	0	0	111.1	M117 S118 C120 Y126 E128 M169	M117-C124 HydrophobicContact CB-CB 3.95Å; M117-C124 HydrophobicContact CG-CB 3.5Å; M117-C124 HydrophobicContact SD-CB 4.05Å; S118-C124 PolarHBondContact O-SG 2.82Å; C120-C124 PolarHBondContact O-N 2.98Å; C120-C124 VanDerWaalsContact O-N 3.14Å; C120-C124 PolarHBondContact O-SG 3.11Å; C124-Y126 PolarHBondContact O-N 3.47Å; C124-E128 VanDerWaalsContact O-CB 3.24Å; C124-E128 WeakPolarHBondContact O-CB 3.42Å; C124-E128 VanDerWaalsContact O-CG 3.31Å; C124-E128 WeakPolarHBondContact O-CG 3.47Å; C124-E128 PolarHBondContact O-N 2.87Å; C124-M169 HydrophobicContact CB-CG 4.42Å; C124-M169 VanDerWaalsContact SG-CG 3.51Å
125	Q	95.9	Very high	95.8	Very high	101 Å²	101	40.6 Å²	40.6	47%	0.472	21%	0.21	S	C	.	.	H	α-helix	trans	-61.2	-44.4	-179.8	-74.7	177	38.9	0	0	112.6	I107 M117 A121 A122 D123 R129	I107-Q125 HydrophobicContact CD1-CG 4.18Å; M117-Q125 HydrophobicContact SD-CG 3.81Å; A121-Q125 WeakPolarHBondContact O-CB 3.37Å; A121-Q125 VanDerWaalsContact O-CG 3.23Å; A121-Q125 WeakPolarHBondContact O-CG 3.12Å; A121-Q125 PolarHBondContact O-N 3.01Å; A121-Q125 VanDerWaalsContact O-N 3.08Å; A122-Q125 PolarHBondContact O-N 3.15Å; D123-Q125 PolarHBondContact O-N 3.32Å; Q125-R129 WeakPolarHBondContact O-CB 3.33Å; Q125-R129 PolarHBondContact O-N 2.98Å; Q125-R129 VanDerWaalsContact O-N 3.1Å
126	Y	96.6	Very high	95.7	Very high	103 Å²	103	47.7 Å²	47.7	40%	0.404	24%	0.237	S	C	.	.	H	α-helix	trans	-65.9	-52.8	-178.9	178.7	-95.7	0	0	0	111.4	A122 D123 C124 R129 L130	A122-Y126 VanDerWaalsContact O-CB 3.28Å; A122-Y126 WeakPolarHBondContact O-CB 3.43Å; A122-Y126 PolarHBondContact O-N 3.38Å; D123-Y126 PolarHBondContact O-N 3.47Å; C124-Y126 PolarHBondContact O-N 3.47Å; Y126-R129 PolarHBondContact O-N 3.22Å; Y126-L130 WeakPolarHBondContact O-CB 3.47Å; Y126-L130 PolarHBondContact O-N 3.21Å
127	W	96.8	Very high	95.6	Very high	11 Å²	11	50.3 Å²	50.3	4%	0.042	25%	0.25	C	S	.	.	H	α-helix	trans	-71.2	-35.6	-173.7	-72.5	113.5	0	0	0	112.9	D123 L130 L131 L155 M158 M159 Y162 L167	D123-W127 WeakPolarHBondContact O-CB 3.34Å; D123-W127 PolarHBondContact O-N 3.07Å; W127-L130 HydrophobicContact CE3-CD2 3.66Å; W127-L130 HydrophobicContact CZ3-CD2 3.46Å; W127-L130 VanDerWaalsContact CZ3-CD2 3.46Å; W127-L130 PolarHBondContact O-N 3.43Å; W127-L131 WeakPolarHBondContact O-CB 3.13Å; W127-L131 PolarHBondContact O-N 3.38Å; W127-L155 HydrophobicContact CB-CD1 4.1Å; W127-M158 HydrophobicContact CE3-CB 3.92Å; W127-M158 HydrophobicContact CE3-CG 4.38Å; W127-M158 HydrophobicContact CE3-SD 4.15Å; W127-M158 HydrophobicContact CZ3-CB 3.82Å; W127-M158 HydrophobicContact CZ3-CG 4.19Å; W127-M158 HydrophobicContact CZ3-SD 4.4Å; W127-M159 HydrophobicContact CB-CE 3.87Å; W127-M159 HydrophobicContact CD2-CE 3.29Å; W127-M159 HydrophobicContact CE3-CE 3.81Å; W127-M159 HydrophobicContact CG-CE 3.28Å; W127-M159 HydrophobicContact CZ2-CE 4.34Å; W127-Y162 AromaticContact CH2-CD2 3.73Å; W127-Y162 HydrophobicContact CH2-CD2 3.73Å; W127-Y162 AromaticContact CH2-CE2 3.39Å; W127-Y162 HydrophobicContact CH2-CE2 3.39Å; W127-Y162 AromaticContact CH2-CZ 3.94Å; W127-Y162 AromaticContact CZ2-CD2 3.8Å; W127-Y162 HydrophobicContact CZ2-CD2 3.8Å; W127-Y162 AromaticContact CZ2-CE2 3.82Å; W127-Y162 HydrophobicContact CZ2-CE2 3.82Å; W127-Y162 HydrophobicContact CZ2-CG 4.21Å; W127-Y162 HydrophobicContact CZ3-CE2 4.49Å; W127-L167 HydrophobicContact CZ2-CD1 4.46Å
128	E	97.3	Very high	95.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-73.3	-32.2	174.9	-66.7	-174.3	-149.1	0	0	112.3	I107 G115 C124 L131 A132 S171	I107-E128 HydrophobicContact CB-CB 4.47Å; I107-E128 VanDerWaalsContact CB-OE2 3.31Å; I107-E128 WeakPolarHBondContact CB-OE2 3.39Å; I107-E128 HydrophobicContact CD1-CB 3.86Å; I107-E128 HydrophobicContact CD1-CG 4.25Å; I107-E128 WeakPolarHBondContact CD1-OE2 3.49Å; I107-E128 HydrophobicContact CG2-CB 4.09Å; G115-E128 WeakPolarHBondContact CA-OE2 3.35Å; C124-E128 VanDerWaalsContact O-CB 3.24Å; C124-E128 WeakPolarHBondContact O-CB 3.42Å; C124-E128 VanDerWaalsContact O-CG 3.31Å; C124-E128 WeakPolarHBondContact O-CG 3.47Å; C124-E128 PolarHBondContact O-N 2.87Å; E128-L131 WeakPolarHBondContact O-CB 3.43Å; E128-L131 PolarHBondContact O-N 3.11Å; E128-A132 PolarHBondContact O-N 2.97Å; E128-S171 VanDerWaalsContact OE1-CB 3.22Å; E128-S171 WeakPolarHBondContact OE1-CB 3.34Å; E128-S171 PolarHBondContact OE1-OG 3.34Å
129	R	97.1	Very high	95.9	Very high	201 Å²	201	58.5 Å²	58.5	76%	0.758	28%	0.281	S	S	*	.	H	α-helix	trans	-67.5	-38	170.4	-173.5	179.5	-177	110.6	-0.1	111.7	Q125 Y126 L131 A132 K133	Q125-R129 WeakPolarHBondContact O-CB 3.33Å; Q125-R129 PolarHBondContact O-N 2.98Å; Q125-R129 VanDerWaalsContact O-N 3.1Å; Y126-R129 PolarHBondContact O-N 3.22Å; R129-L131 VanDerWaalsContact C-N 3.35Å; R129-A132 WeakPolarHBondContact O-CB 3.4Å; R129-A132 PolarHBondContact O-N 3.39Å; R129-K133 PolarHBondContact O-N 2.77Å; R129-K133 VanDerWaalsContact O-N 3.1Å
130	L	97.1	Very high	96.1	Very high	17 Å²	17	63.3 Å²	63.3	9%	0.089	30%	0.303	C	S	.	.	H	α-helix	trans	-64.4	-42	172.5	-177.2	63.2	0	0	0	111	P40 Y126 W127 A132 K133 E134 M158	P40-L130 HydrophobicContact CG-CD1 4.41Å; P40-L130 HydrophobicContact CG-CD2 4Å; Y126-L130 WeakPolarHBondContact O-CB 3.47Å; Y126-L130 PolarHBondContact O-N 3.21Å; W127-L130 HydrophobicContact CE3-CD2 3.66Å; W127-L130 HydrophobicContact CZ3-CD2 3.46Å; W127-L130 VanDerWaalsContact CZ3-CD2 3.46Å; W127-L130 PolarHBondContact O-N 3.43Å; L130-A132 VanDerWaalsContact C-N 3.3Å; L130-A132 PolarHBondContact O-N 3.02Å; L130-K133 HydrophobicContact CD1-CD 4.18Å; L130-K133 WeakPolarHBondContact O-CB 3.17Å; L130-K133 PolarHBondContact O-N 3.48Å; L130-E134 PolarHBondContact O-N 2.93Å; L130-M158 HydrophobicContact CD2-CE 4.21Å; L130-M158 HydrophobicContact CD2-SD 4.18Å; L130-M158 HydrophobicContact CG-CE 4.14Å; L130-M158 HydrophobicContact CG-SD 4.45Å
131	L	97.4	Very high	96.4	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-58.2	-42.7	172.4	177.5	64.9	0	0	0	111.3	I109 W127 E128 R129 K133 E134 C135 A151 L154 L155 I173	I109-L131 HydrophobicContact CD1-CD2 3.92Å; W127-L131 WeakPolarHBondContact O-CB 3.13Å; W127-L131 PolarHBondContact O-N 3.38Å; E128-L131 WeakPolarHBondContact O-CB 3.43Å; E128-L131 PolarHBondContact O-N 3.11Å; R129-L131 VanDerWaalsContact C-N 3.35Å; L131-K133 VanDerWaalsContact C-N 3.33Å; L131-K133 PolarHBondContact O-N 3.11Å; L131-E134 PolarHBondContact O-N 2.77Å; L131-C135 WeakPolarHBondContact O-CB 3.46Å; L131-C135 PolarHBondContact O-N 2.7Å; L131-C135 PolarHBondContact O-SG 3.47Å; L131-A151 HydrophobicContact CD1-CB 4.39Å; L131-A151 WeakPolarHBondContact CD1-O 3.49Å; L131-L154 HydrophobicContact CD1-CB 4.24Å; L131-L154 HydrophobicContact CD1-CD2 4.06Å; L131-L154 HydrophobicContact CD1-CG 4.36Å; L131-L155 HydrophobicContact CD1-CB 4.44Å; L131-L155 HydrophobicContact CD2-CB 4.15Å; L131-L155 HydrophobicContact CD2-CD2 4.22Å; L131-I173 HydrophobicContact CD2-CD1 4.05Å
132	A	97.5	Very high	96.7	Very high	24 Å²	24	71.9 Å²	71.9	20%	0.198	33%	0.325	C	S	.	.	H	α-helix	trans	-57.9	-44.6	175.8	0	0	0	0	0	112.2	I109 E128 R129 L130 C135 R136	I109-A132 HydrophobicContact CB-CB 4.49Å; I109-A132 HydrophobicContact CG2-CB 3.68Å; E128-A132 PolarHBondContact O-N 2.97Å; R129-A132 WeakPolarHBondContact O-CB 3.4Å; R129-A132 PolarHBondContact O-N 3.39Å; L130-A132 VanDerWaalsContact C-N 3.3Å; L130-A132 PolarHBondContact O-N 3.02Å; A132-C135 PolarHBondContact O-N 2.92Å; A132-R136 WeakPolarHBondContact O-CB 3.3Å; A132-R136 PolarHBondContact O-N 2.99Å
133	K	97.6	Very high	96.9	Very high	124 Å²	124	71.7 Å²	71.7	54%	0.539	33%	0.329	S	S	.	.	H	α-helix	trans	-57.8	-49.9	174.2	169.3	-173.2	161.5	-168.9	0	111.2	R129 L130 L131 C135 R136 L137	R129-K133 PolarHBondContact O-N 2.77Å; R129-K133 VanDerWaalsContact O-N 3.1Å; L130-K133 HydrophobicContact CD1-CD 4.18Å; L130-K133 WeakPolarHBondContact O-CB 3.17Å; L130-K133 PolarHBondContact O-N 3.48Å; L131-K133 VanDerWaalsContact C-N 3.33Å; L131-K133 PolarHBondContact O-N 3.11Å; K133-C135 PolarHBondContact O-N 3.33Å; K133-R136 PolarHBondContact O-N 3.26Å; K133-L137 PolarHBondContact O-N 2.87Å
134	E	97.5	Very high	97	Very high	48 Å²	48	74.2 Å²	74.2	22%	0.224	34%	0.34	C	S	.	.	H	α-helix	trans	-66.5	-37.5	-178.9	-65.8	-53.8	134.8	0	0	112.4	L130 L131 R136 L137 Y138 L154 M158	L130-E134 PolarHBondContact O-N 2.93Å; L131-E134 PolarHBondContact O-N 2.77Å; E134-R136 VanDerWaalsContact C-N 3.31Å; E134-R136 PolarHBondContact O-N 2.87Å; E134-L137 PolarHBondContact O-N 3.39Å; E134-Y138 WeakPolarHBondContact O-CB 3.43Å; E134-Y138 PolarHBondContact O-N 2.94Å; E134-L154 HydrophobicContact CB-CD2 3.46Å; E134-L154 VanDerWaalsContact CB-CD2 3.46Å; E134-L154 HydrophobicContact CG-CD2 4.06Å; E134-M158 HydrophobicContact CB-CE 4.48Å; E134-M158 HydrophobicContact CG-CE 3.7Å
135	C	96.9	Very high	97	Very high	6 Å²	6	80.3 Å²	80.3	4%	0.041	36%	0.363	C	S	.	.	H	α-helix	trans	-61.6	-40.2	173.3	-67.3	0	0	0	0	111.5	L131 A132 K133 Y138 Y139 I146	L131-C135 WeakPolarHBondContact O-CB 3.46Å; L131-C135 PolarHBondContact O-N 2.7Å; L131-C135 PolarHBondContact O-SG 3.47Å; A132-C135 PolarHBondContact O-N 2.92Å; K133-C135 PolarHBondContact O-N 3.33Å; C135-Y138 PolarHBondContact O-N 2.84Å; C135-Y139 PolarHBondContact O-N 2.97Å; C135-Y139 VanDerWaalsContact O-N 3.12Å; C135-I146 HydrophobicContact CB-CG2 3.98Å
136	R	96.1	Very high	97	Very high	149 Å²	149	76.8 Å²	76.8	56%	0.562	35%	0.347	S	S	*	.	H	α-helix	trans	-67.9	-41.3	176.4	-175.1	59.2	173.6	162.5	-0.7	111.7	A132 K133 E134 Y138 Y139 L140	A132-R136 WeakPolarHBondContact O-CB 3.3Å; A132-R136 PolarHBondContact O-N 2.99Å; K133-R136 PolarHBondContact O-N 3.26Å; E134-R136 VanDerWaalsContact C-N 3.31Å; E134-R136 PolarHBondContact O-N 2.87Å; R136-Y138 VanDerWaalsContact C-N 3.35Å; R136-Y139 VanDerWaalsContact NH1-CD1 3.34Å; R136-Y139 WeakPolarHBondContact O-CB 3.41Å; R136-Y139 PolarHBondContact O-N 3.18Å; R136-L140 WeakPolarHBondContact O-CG 3.5Å; R136-L140 PolarHBondContact O-N 2.97Å; R136-L140 VanDerWaalsContact O-N 3.09Å
137	L	97.6	Very high	97.1	Very high	55 Å²	55	73.7 Å²	73.7	29%	0.288	34%	0.341	S	S	.	.	H	α-helix	trans	-64.1	-40.5	176	-177.5	59.1	0	0	0	111.7	K133 E134 Y139 L140 R141	K133-L137 PolarHBondContact O-N 2.87Å; E134-L137 PolarHBondContact O-N 3.39Å; L137-Y139 VanDerWaalsContact C-N 3.32Å; L137-Y139 PolarHBondContact O-N 3.04Å; L137-L140 PolarHBondContact O-N 3.47Å; L137-R141 HydrophobicContact CD1-CG 4.44Å; L137-R141 WeakPolarHBondContact O-CG 3.38Å; L137-R141 PolarHBondContact O-N 3.09Å
138	Y	97.7	Very high	97.2	Very high	87 Å²	87	73.3 Å²	73.3	34%	0.341	34%	0.34	S	S	.	.	H	α-helix	trans	-57.2	-45.6	173	-177.9	-85.2	0	0	0	111.5	E134 C135 R136 L140 R141 N142 I146	E134-Y138 WeakPolarHBondContact O-CB 3.43Å; E134-Y138 PolarHBondContact O-N 2.94Å; C135-Y138 PolarHBondContact O-N 2.84Å; R136-Y138 VanDerWaalsContact C-N 3.35Å; Y138-L140 PolarHBondContact O-N 3.27Å; Y138-R141 PolarHBondContact O-N 3.21Å; Y138-N142 VanDerWaalsContact CD2-ND2 3.34Å; Y138-N142 WeakPolarHBondContact CD2-ND2 3.31Å; Y138-N142 HydrophobicContact CE1-CB 4.28Å; Y138-N142 VanDerWaalsContact CE2-ND2 3.33Å; Y138-N142 WeakPolarHBondContact CE2-ND2 3.44Å; Y138-N142 PolarHBondContact O-N 3.44Å; Y138-N142 PolarHBondContact O-ND2 2.96Å; Y138-I146 HydrophobicContact CD1-CB 3.69Å; Y138-I146 HydrophobicContact CD1-CG1 4.16Å; Y138-I146 HydrophobicContact CD2-CD1 4.47Å; Y138-I146 HydrophobicContact CE1-CB 4.06Å; Y138-I146 HydrophobicContact CE1-CG1 4.34Å; Y138-I146 HydrophobicContact CG-CB 4.17Å; Y138-I146 HydrophobicContact CG-CD1 4.27Å; Y138-I146 HydrophobicContact CG-CG1 4.28Å
139	Y	96.6	Very high	97.2	Very high	97 Å²	97	74.6 Å²	74.6	38%	0.38	35%	0.349	S	S	.	.	H	α-helix	trans	-60.5	-44.6	177.4	179.8	-93.9	0	0	0	112.5	C135 R136 L137 R141 G143 E144 R145	C135-Y139 PolarHBondContact O-N 2.97Å; C135-Y139 VanDerWaalsContact O-N 3.12Å; R136-Y139 VanDerWaalsContact NH1-CD1 3.34Å; R136-Y139 WeakPolarHBondContact O-CB 3.41Å; R136-Y139 PolarHBondContact O-N 3.18Å; L137-Y139 VanDerWaalsContact C-N 3.32Å; L137-Y139 PolarHBondContact O-N 3.04Å; Y139-R141 VanDerWaalsContact C-N 3.32Å; Y139-R141 PolarHBondContact O-N 3.2Å; Y139-G143 WeakPolarHBondContact O-CA 3.28Å; Y139-G143 PolarHBondContact O-N 3.27Å; Y139-E144 WeakPolarHBondContact CA-O 3.23Å; Y139-R145 HydrophobicContact CD2-CG 4.05Å; Y139-R145 HydrophobicContact CE2-CG 4.09Å
140	L	97.6	Very high	97.2	Very high	117 Å²	117	66.8 Å²	66.8	61%	0.613	33%	0.327	S	S	*	.	H	α-helix	trans	-65.7	-34.1	179.3	-67.6	173.4	0	0	0	112.8	R136 L137 Y138	R136-L140 WeakPolarHBondContact O-CG 3.5Å; R136-L140 PolarHBondContact O-N 2.97Å; R136-L140 VanDerWaalsContact O-N 3.09Å; L137-L140 PolarHBondContact O-N 3.47Å; Y138-L140 PolarHBondContact O-N 3.27Å
141	R	97.6	Very high	97.3	Very high	181 Å²	181	66 Å²	66	68%	0.683	32%	0.323	S	S	*	.	H	α-helix	trans	-76.1	-41.4	179.7	-74.1	173.9	172	166.3	-2.8	113.2	L137 Y138 Y139	L137-R141 HydrophobicContact CD1-CG 4.44Å; L137-R141 WeakPolarHBondContact O-CG 3.38Å; L137-R141 PolarHBondContact O-N 3.09Å; Y138-R141 PolarHBondContact O-N 3.21Å; Y139-R141 VanDerWaalsContact C-N 3.32Å; Y139-R141 PolarHBondContact O-N 3.2Å
142	N	97.4	Very high	97.3	Very high	92 Å²	92	66 Å²	66	49%	0.492	32%	0.323	S	S	.	.	H	α-helix	trans	-102.8	-12.7	-170.2	-59.2	-77.9	0	0	0	113.4	Y138 E144	Y138-N142 VanDerWaalsContact CD2-ND2 3.34Å; Y138-N142 WeakPolarHBondContact CD2-ND2 3.31Å; Y138-N142 HydrophobicContact CE1-CB 4.28Å; Y138-N142 VanDerWaalsContact CE2-ND2 3.33Å; Y138-N142 WeakPolarHBondContact CE2-ND2 3.44Å; Y138-N142 PolarHBondContact O-N 3.44Å; Y138-N142 PolarHBondContact O-ND2 2.96Å; N142-E144 PolarHBondContact O-N 3.48Å
143	G	96.7	Very high	97.3	Very high	60 Å²	60	69.6 Å²	69.6	62%	0.619	33%	0.334	S	S	*	.	S	Bend	trans	66.8	8.8	-171.6	0	0	0	0	0	113.8	Y139	Y139-G143 WeakPolarHBondContact O-CA 3.28Å; Y139-G143 PolarHBondContact O-N 3.27Å
144	E	95.9	Very high	97.4	Very high	86 Å²	86	66.4 Å²	66.4	40%	0.402	32%	0.322	S	S	.	.	S	Bend	trans	-130.7	147.9	-177.1	-161.8	-172	134.5	0	0	110.9	Y139 N142 K178	Y139-E144 WeakPolarHBondContact CA-O 3.23Å; N142-E144 PolarHBondContact O-N 3.48Å; E144-K178 WeakPolarHBondContact OE1-CE 3.42Å; E144-K178 IonicContact OE1-NZ 3.79Å; E144-K178 PolarHBondContact OE1-NZ 3.08Å; E144-K178 IonicContact OE2-NZ 2.86Å; E144-K178 PolarHBondContact OE2-NZ 2.83Å
145	R	95.3	Very high	97.4	Very high	128 Å²	128	64.1 Å²	64.1	48%	0.483	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-67.8	143.3	174.9	-57.2	178.8	-165	172.4	-0.8	110.5	Y112 Y139	Y112-R145 VanDerWaalsContact CE2-NH1 3.29Å; Y112-R145 VanDerWaalsContact CZ-NH2 3.35Å; Y112-R145 PolarHBondContact OH-NH1 3.36Å; Y112-R145 PolarHBondContact OH-NH2 3.29Å; Y139-R145 HydrophobicContact CD2-CG 4.05Å; Y139-R145 HydrophobicContact CE2-CG 4.09Å
146	I	97.4	Very high	97.4	Very high	26 Å²	26	63.8 Å²	63.8	13%	0.133	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-67.2	144.8	174.5	-164.7	168.4	0	0	0	110.8	C135 Y138 A150 A151	C135-I146 HydrophobicContact CB-CG2 3.98Å; Y138-I146 HydrophobicContact CD1-CB 3.69Å; Y138-I146 HydrophobicContact CD1-CG1 4.16Å; Y138-I146 HydrophobicContact CD2-CD1 4.47Å; Y138-I146 HydrophobicContact CE1-CB 4.06Å; Y138-I146 HydrophobicContact CE1-CG1 4.34Å; Y138-I146 HydrophobicContact CG-CB 4.17Å; Y138-I146 HydrophobicContact CG-CD1 4.27Å; Y138-I146 HydrophobicContact CG-CG1 4.28Å; I146-A150 HydrophobicContact CD1-CB 4.06Å; I146-A150 HydrophobicContact CG1-CB 3.68Å; I146-A151 HydrophobicContact CD1-CB 4.22Å; I146-A151 HydrophobicContact CG2-CB 4.28Å
147	S	97.9	Very high	97.4	Very high	39 Å²	39	59.9 Å²	59.9	27%	0.273	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-74.8	154.1	172.3	65.4	0	0	0	0	111.7	S149 A150 A151 D177	S147-S149 PolarHBondContact O-N 2.89Å; S147-S149 PolarHBondContact OG-OG 3.12Å; S147-S149 VanDerWaalsContact OG-OG 3.07Å; S147-A150 PolarHBondContact O-N 3.1Å; S147-A150 VanDerWaalsContact O-N 3.09Å; S147-A150 VanDerWaalsContact OG-CB 3.23Å; S147-A150 WeakPolarHBondContact OG-CB 3.42Å; S147-A150 PolarHBondContact OG-N 2.85Å; S147-A150 VanDerWaalsContact OG-N 3.15Å; S147-A151 PolarHBondContact O-N 3.4Å; S147-D177 WeakPolarHBondContact CB-OD2 3.41Å
148	V	98.1	Very high	97.3	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.012	29%	0.29	C	S	.	.	H	α-helix	trans	-62.8	-34.7	178.1	-168.2	0	0	0	0	110	L113 S152 I173 D177 Y184	L113-V148 HydrophobicContact CD1-CB 4.35Å; L113-V148 HydrophobicContact CD1-CG1 3.96Å; L113-V148 HydrophobicContact CD1-CG2 4.13Å; V148-S152 WeakPolarHBondContact O-CB 3.36Å; V148-S152 PolarHBondContact O-N 2.94Å; V148-S152 PolarHBondContact O-OG 2.73Å; V148-I173 HydrophobicContact CG1-CG2 4.11Å; V148-D177 HydrophobicContact CG2-CB 4.09Å; V148-D177 PolarHBondContact N-OD2 2.92Å; V148-Y184 HydrophobicContact CB-CD2 4.49Å; V148-Y184 HydrophobicContact CB-CE2 4.35Å; V148-Y184 HydrophobicContact CG1-CD2 3.83Å; V148-Y184 HydrophobicContact CG1-CE2 4.17Å
149	S	97.9	Very high	97.1	Very high	28 Å²	28	54 Å²	54	20%	0.196	27%	0.274	C	S	.	.	H	α-helix	trans	-64.3	-40.6	175.3	65.6	0	0	0	0	112.7	S147 S152 K153 Y184 R192	S147-S149 PolarHBondContact O-N 2.89Å; S147-S149 PolarHBondContact OG-OG 3.12Å; S147-S149 VanDerWaalsContact OG-OG 3.07Å; S149-S152 WeakPolarHBondContact CA-OG 3.37Å; S149-S152 PolarHBondContact O-OG 3.31Å; S149-K153 WeakPolarHBondContact O-CB 3.25Å; S149-K153 PolarHBondContact O-N 3.25Å; S149-K153 VanDerWaalsContact O-N 3.11Å; S149-Y184 WeakPolarHBondContact CB-OH 3.41Å; S149-R192 PolarHBondContact O-NH2 3.37Å
150	A	98	Very high	97	Very high	36 Å²	36	53 Å²	53	30%	0.298	28%	0.275	S	S	.	.	H	α-helix	trans	-72.3	-42.6	179.8	0	0	0	0	0	111.4	I146 S147 K153 L154	I146-A150 HydrophobicContact CD1-CB 4.06Å; I146-A150 HydrophobicContact CG1-CB 3.68Å; S147-A150 PolarHBondContact O-N 3.1Å; S147-A150 VanDerWaalsContact O-N 3.09Å; S147-A150 VanDerWaalsContact OG-CB 3.23Å; S147-A150 WeakPolarHBondContact OG-CB 3.42Å; S147-A150 PolarHBondContact OG-N 2.85Å; S147-A150 VanDerWaalsContact OG-N 3.15Å; A150-K153 PolarHBondContact O-N 3.49Å; A150-L154 WeakPolarHBondContact O-CB 3.23Å; A150-L154 PolarHBondContact O-N 3.12Å
151	A	98.3	Very high	96.7	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.4	-48.2	176.9	0	0	0	0	0	112	L113 L131 I146 S147 K153 L154 L155	L113-A151 HydrophobicContact CD2-CB 3.67Å; L131-A151 HydrophobicContact CD1-CB 4.39Å; L131-A151 WeakPolarHBondContact CD1-O 3.49Å; I146-A151 HydrophobicContact CD1-CB 4.22Å; I146-A151 HydrophobicContact CG2-CB 4.28Å; S147-A151 PolarHBondContact O-N 3.4Å; A151-K153 VanDerWaalsContact C-N 3.3Å; A151-K153 PolarHBondContact O-N 3.45Å; A151-L154 PolarHBondContact O-N 3.49Å; A151-L155 PolarHBondContact O-N 2.85Å; A151-L155 VanDerWaalsContact O-N 3.08Å
152	S	98	Very high	96.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62.2	-36	175.7	54.1	0	0	0	0	112.9	V148 S149 S156 R192	V148-S152 WeakPolarHBondContact O-CB 3.36Å; V148-S152 PolarHBondContact O-N 2.94Å; V148-S152 PolarHBondContact O-OG 2.73Å; S149-S152 WeakPolarHBondContact CA-OG 3.37Å; S149-S152 PolarHBondContact O-OG 3.31Å; S152-S156 PolarHBondContact O-N 3.29Å; S152-R192 PolarHBondContact OG-NE 3.04Å; S152-R192 PolarHBondContact OG-NH2 2.91Å
153	K	98.3	Very high	95.9	Very high	101 Å²	101	49 Å²	49	44%	0.439	25%	0.251	S	S	.	.	H	α-helix	trans	-68.4	-40.4	177.1	-172.2	62.9	-178.3	166.9	0	111.4	S149 A150 A151 S156 N157	S149-K153 WeakPolarHBondContact O-CB 3.25Å; S149-K153 PolarHBondContact O-N 3.25Å; S149-K153 VanDerWaalsContact O-N 3.11Å; A150-K153 PolarHBondContact O-N 3.49Å; A151-K153 VanDerWaalsContact C-N 3.3Å; A151-K153 PolarHBondContact O-N 3.45Å; K153-S156 WeakPolarHBondContact CA-OG 3.49Å; K153-S156 PolarHBondContact O-N 3.34Å; K153-S156 PolarHBondContact O-OG 3.04Å; K153-N157 VanDerWaalsContact O-CG 3.29Å; K153-N157 PolarHBondContact O-N 2.96Å; K153-N157 PolarHBondContact O-OD1 3.19Å
154	L	97.8	Very high	95.3	Very high	56 Å²	56	48.9 Å²	48.9	29%	0.293	25%	0.249	S	C	.	.	H	α-helix	trans	-60.8	-46.3	176.6	-174.8	62.5	0	0	0	111.5	L131 E134 A150 A151 S156 N157 M158	L131-L154 HydrophobicContact CD1-CB 4.24Å; L131-L154 HydrophobicContact CD1-CD2 4.06Å; L131-L154 HydrophobicContact CD1-CG 4.36Å; E134-L154 HydrophobicContact CB-CD2 3.46Å; E134-L154 VanDerWaalsContact CB-CD2 3.46Å; E134-L154 HydrophobicContact CG-CD2 4.06Å; A150-L154 WeakPolarHBondContact O-CB 3.23Å; A150-L154 PolarHBondContact O-N 3.12Å; A151-L154 PolarHBondContact O-N 3.49Å; L154-S156 PolarHBondContact O-N 2.94Å; L154-N157 PolarHBondContact O-N 2.93Å; L154-M158 HydrophobicContact CD1-CE 4.18Å; L154-M158 HydrophobicContact CD2-CE 4.06Å; L154-M158 HydrophobicContact CG-CE 3.77Å; L154-M158 WeakPolarHBondContact O-CG 3.25Å; L154-M158 PolarHBondContact O-N 3.24Å
155	L	97.5	Very high	94.9	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.9	-44.6	175.6	-174.3	60.7	0	0	0	112	W127 L131 A151 N157 M158 M159 M169 I173 V186	W127-L155 HydrophobicContact CB-CD1 4.1Å; L131-L155 HydrophobicContact CD1-CB 4.44Å; L131-L155 HydrophobicContact CD2-CB 4.15Å; L131-L155 HydrophobicContact CD2-CD2 4.22Å; A151-L155 PolarHBondContact O-N 2.85Å; A151-L155 VanDerWaalsContact O-N 3.08Å; L155-N157 VanDerWaalsContact C-N 3.28Å; L155-N157 PolarHBondContact O-N 3.08Å; L155-M158 HydrophobicContact CD1-SD 4.49Å; L155-M158 WeakPolarHBondContact O-CB 3.47Å; L155-M158 PolarHBondContact O-N 3.31Å; L155-M158 VanDerWaalsContact O-N 3.15Å; L155-M159 HydrophobicContact CD1-CE 4.49Å; L155-M159 WeakPolarHBondContact O-CG 3.43Å; L155-M159 PolarHBondContact O-N 3.45Å; L155-M169 HydrophobicContact CD1-CE 3.85Å; L155-M169 HydrophobicContact CD2-CE 3.81Å; L155-M169 HydrophobicContact CG-CE 3.87Å; L155-I173 HydrophobicContact CD2-CD1 3.83Å; L155-I173 HydrophobicContact CD2-CG1 4.09Å; L155-V186 HydrophobicContact CB-CG1 4.42Å; L155-V186 HydrophobicContact CD2-CB 4.26Å; L155-V186 HydrophobicContact CD2-CG1 4.15Å; L155-V186 HydrophobicContact CG-CG1 4.05Å
156	S	97.4	Very high	94.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.7	-36.3	177.4	70.1	0	0	0	0	112.6	S152 K153 L154 M159 L160	S152-S156 PolarHBondContact O-N 3.29Å; K153-S156 WeakPolarHBondContact CA-OG 3.49Å; K153-S156 PolarHBondContact O-N 3.34Å; K153-S156 PolarHBondContact O-OG 3.04Å; L154-S156 PolarHBondContact O-N 2.94Å; S156-M159 PolarHBondContact O-N 2.82Å; S156-L160 WeakPolarHBondContact O-CG 3.25Å; S156-L160 PolarHBondContact O-N 2.77Å
157	N	97	Very high	94	Very high	66 Å²	66	43.6 Å²	43.6	35%	0.353	24%	0.239	S	C	.	.	H	α-helix	trans	-68.8	-37.1	176.4	-70.4	-6.3	0	0	0	111.6	K153 L154 L155 Q161	K153-N157 VanDerWaalsContact O-CG 3.29Å; K153-N157 PolarHBondContact O-N 2.96Å; K153-N157 PolarHBondContact O-OD1 3.19Å; L154-N157 PolarHBondContact O-N 2.93Å; L155-N157 VanDerWaalsContact C-N 3.28Å; L155-N157 PolarHBondContact O-N 3.08Å; N157-Q161 WeakPolarHBondContact O-CG 3.49Å; N157-Q161 PolarHBondContact O-N 3.37Å
158	M	94.4	Very high	93.7	Very high	18 Å²	18	42 Å²	42	9%	0.089	23%	0.228	C	C	.	.	H	α-helix	trans	-61.3	-44.7	172.1	-67.4	166.1	177.1	0	0	110.7	W127 L130 E134 L154 L155 L160 Q161 Y162	W127-M158 HydrophobicContact CE3-CB 3.92Å; W127-M158 HydrophobicContact CE3-CG 4.38Å; W127-M158 HydrophobicContact CE3-SD 4.15Å; W127-M158 HydrophobicContact CZ3-CB 3.82Å; W127-M158 HydrophobicContact CZ3-CG 4.19Å; W127-M158 HydrophobicContact CZ3-SD 4.4Å; L130-M158 HydrophobicContact CD2-CE 4.21Å; L130-M158 HydrophobicContact CD2-SD 4.18Å; L130-M158 HydrophobicContact CG-CE 4.14Å; L130-M158 HydrophobicContact CG-SD 4.45Å; E134-M158 HydrophobicContact CB-CE 4.48Å; E134-M158 HydrophobicContact CG-CE 3.7Å; L154-M158 HydrophobicContact CD1-CE 4.18Å; L154-M158 HydrophobicContact CD2-CE 4.06Å; L154-M158 HydrophobicContact CG-CE 3.77Å; L154-M158 WeakPolarHBondContact O-CG 3.25Å; L154-M158 PolarHBondContact O-N 3.24Å; L155-M158 HydrophobicContact CD1-SD 4.49Å; L155-M158 WeakPolarHBondContact O-CB 3.47Å; L155-M158 PolarHBondContact O-N 3.31Å; L155-M158 VanDerWaalsContact O-N 3.15Å; M158-L160 PolarHBondContact O-N 3.06Å; M158-Q161 PolarHBondContact O-N 3.25Å; M158-Y162 WeakPolarHBondContact O-CD2 3.49Å
159	M	93.9	Very high	93.5	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.9	-41.5	179.1	-67.4	-56.9	96	0	0	112.6	W127 L155 S156 Q161 Y162 R163 L167 M169	W127-M159 HydrophobicContact CB-CE 3.87Å; W127-M159 HydrophobicContact CD2-CE 3.29Å; W127-M159 HydrophobicContact CE3-CE 3.81Å; W127-M159 HydrophobicContact CG-CE 3.28Å; W127-M159 HydrophobicContact CZ2-CE 4.34Å; L155-M159 HydrophobicContact CD1-CE 4.49Å; L155-M159 WeakPolarHBondContact O-CG 3.43Å; L155-M159 PolarHBondContact O-N 3.45Å; S156-M159 PolarHBondContact O-N 2.82Å; M159-Q161 PolarHBondContact O-N 2.92Å; M159-Y162 CarbonylContact O-C 3.57Å; M159-Y162 PolarHBondContact O-N 3.22Å; M159-R163 PolarHBondContact O-N 2.91Å; M159-L167 HydrophobicContact CE-CD1 4.22Å; M159-L167 HydrophobicContact SD-CD1 4.08Å; M159-M169 HydrophobicContact CE-CE 4.16Å; M159-M169 HydrophobicContact CG-CE 3.68Å; M159-M169 HydrophobicContact SD-CE 3.48Å; M159-M169 WeakPolarHBondContact SD-CE 3.43Å
160	L	93.6	Very high	93.3	Very high	78 Å²	78	40.9 Å²	40.9	41%	0.408	22%	0.221	S	C	.	.	H	α-helix	trans	-58.7	-33	178.3	-77.9	169.2	0	0	0	113.3	S156 M158 Y162 R163	S156-L160 WeakPolarHBondContact O-CG 3.25Å; S156-L160 PolarHBondContact O-N 2.77Å; M158-L160 PolarHBondContact O-N 3.06Å; L160-Y162 PolarHBondContact O-N 2.86Å; L160-R163 WeakPolarHBondContact O-CB 3.4Å; L160-R163 PolarHBondContact O-N 3.47Å
161	Q	92.1	Very high	93.3	Very high	119 Å²	119	39.2 Å²	39.2	56%	0.556	21%	0.207	S	C	*	.	H	α-helix	trans	-66	-26.2	178.2	-69.5	173.3	14.6	0	0	112.9	N157 M158 M159	N157-Q161 WeakPolarHBondContact O-CG 3.49Å; N157-Q161 PolarHBondContact O-N 3.37Å; M158-Q161 PolarHBondContact O-N 3.25Å; M159-Q161 PolarHBondContact O-N 2.92Å
162	Y	88.9	Confident	93.3	Very high	26 Å²	26	39.2 Å²	39.2	10%	0.102	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	17.3	-177.2	-67.2	-96.9	0	0	0	112	P40 L42 W127 M158 M159 L160 G164 M165 L167	P40-Y162 PolarHBondContact O-OH 3.05Å; L42-Y162 HydrophobicContact CB-CE1 4.17Å; L42-Y162 PolarHBondContact N-OH 2.94Å; W127-Y162 AromaticContact CH2-CD2 3.73Å; W127-Y162 HydrophobicContact CH2-CD2 3.73Å; W127-Y162 AromaticContact CH2-CE2 3.39Å; W127-Y162 HydrophobicContact CH2-CE2 3.39Å; W127-Y162 AromaticContact CH2-CZ 3.94Å; W127-Y162 AromaticContact CZ2-CD2 3.8Å; W127-Y162 HydrophobicContact CZ2-CD2 3.8Å; W127-Y162 AromaticContact CZ2-CE2 3.82Å; W127-Y162 HydrophobicContact CZ2-CE2 3.82Å; W127-Y162 HydrophobicContact CZ2-CG 4.21Å; W127-Y162 HydrophobicContact CZ3-CE2 4.49Å; M158-Y162 WeakPolarHBondContact O-CD2 3.49Å; M159-Y162 CarbonylContact O-C 3.57Å; M159-Y162 PolarHBondContact O-N 3.22Å; L160-Y162 PolarHBondContact O-N 2.86Å; Y162-G164 PolarHBondContact O-N 2.74Å; Y162-M165 HydrophobicContact CD1-SD 3.56Å; Y162-M165 VanDerWaalsContact CD1-SD 3.56Å; Y162-M165 HydrophobicContact CE1-SD 4.36Å; Y162-M165 HydrophobicContact CG-SD 4.23Å; Y162-M165 WeakPolarHBondContact O-CB 3.46Å; Y162-M165 WeakPolarHBondContact O-CG 3.45Å; Y162-M165 PolarHBondContact O-N 2.98Å; Y162-M165 VanDerWaalsContact O-N 3.08Å; Y162-L167 VanDerWaalsContact CB-CD1 3.48Å; Y162-L167 HydrophobicContact CG-CD1 4.26Å
163	R	89.3	Confident	93.3	Very high	161 Å²	161	39.2 Å²	39.2	61%	0.608	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	130.4	-179.9	-174.4	178.6	179.3	-166.4	0.2	110.3	M159 L160 M165	M159-R163 PolarHBondContact O-N 2.91Å; L160-R163 WeakPolarHBondContact O-CB 3.4Å; L160-R163 PolarHBondContact O-N 3.47Å; R163-M165 VanDerWaalsContact C-N 3.28Å; R163-M165 PolarHBondContact O-N 3.32Å
164	G	84.1	Confident	93.3	Very high	56 Å²	56	34.4 Å²	34.4	58%	0.577	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.6	4.6	-179.3	0	0	0	0	0	114.8	T51 Y162 G166	T51-G164 WeakPolarHBondContact CG2-O 3.3Å; Y162-G164 PolarHBondContact O-N 2.74Å; G164-G166 VanDerWaalsContact C-N 3.29Å
165	M	87.4	Confident	93.3	Very high	71 Å²	71	31.8 Å²	31.8	35%	0.35	17%	0.172	S	C	.	.	S	Bend	trans	-90.8	13	173.4	-55.9	-172.1	-172.7	0	0	113.2	L54 Y162 R163	L54-M165 VanDerWaalsContact CD1-O 3.29Å; L54-M165 WeakPolarHBondContact CD1-O 3.18Å; Y162-M165 HydrophobicContact CD1-SD 3.56Å; Y162-M165 VanDerWaalsContact CD1-SD 3.56Å; Y162-M165 HydrophobicContact CE1-SD 4.36Å; Y162-M165 HydrophobicContact CG-SD 4.23Å; Y162-M165 WeakPolarHBondContact O-CB 3.46Å; Y162-M165 WeakPolarHBondContact O-CG 3.45Å; Y162-M165 PolarHBondContact O-N 2.98Å; Y162-M165 VanDerWaalsContact O-N 3.08Å; R163-M165 VanDerWaalsContact C-N 3.28Å; R163-M165 PolarHBondContact O-N 3.32Å
166	G	85.3	Confident	93.3	Very high	32 Å²	32	34.7 Å²	34.7	33%	0.33	18%	0.183	S	C	.	.			trans	75.4	28.3	176.9	0	0	0	0	0	115.1	M69 G164	M69-G166 WeakPolarHBondContact CE-O 3.5Å; G164-G166 VanDerWaalsContact C-N 3.29Å
167	L	89.8	Confident	93.1	Very high	27 Å²	27	36 Å²	36	14%	0.141	19%	0.19	C	C	.	.			trans	-70.1	141.6	166.6	-64.1	-175.5	0	0	0	110.5	W127 M159 Y162 H188	W127-L167 HydrophobicContact CZ2-CD1 4.46Å; M159-L167 HydrophobicContact CE-CD1 4.22Å; M159-L167 HydrophobicContact SD-CD1 4.08Å; Y162-L167 VanDerWaalsContact CB-CD1 3.48Å; Y162-L167 HydrophobicContact CG-CD1 4.26Å; L167-H188 HydrophobicContact CB-CB 4.11Å; L167-H188 WeakPolarHBondContact O-CB 3.24Å; L167-H188 PolarHBondContact O-CD2 2.87Å; L167-H188 VanDerWaalsContact O-CG 3.23Å
168	S	91.8	Very high	93	Very high	4 Å²	4	41 Å²	41	3%	0.028	21%	0.209	C	C	.	.			trans	-124.3	101.9	172.9	166.6	0	0	0	0	109.6	H71 G119 C120 D123	H71-S168 PolarHBondContact CD2-OG 3.29Å; H71-S168 PolarHBondContact NE2-OG 2.99Å; G119-S168 WeakPolarHBondContact CA-OG 3.42Å; C120-S168 WeakPolarHBondContact CB-O 3.06Å; C120-S168 PolarHBondContact N-O 2.61Å; C120-S168 PolarHBondContact N-OG 3.3Å; D123-S168 PolarHBondContact OD2-N 2.82Å
169	M	92.4	Very high	93	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.01	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-147.4	138.5	176	-177.6	-94.4	-88.2	0	0	110.6	S118 C124 L155 M159 S171 D187 H188	S118-M169 CarbonylContact O-C 3.51Å; C124-M169 HydrophobicContact CB-CG 4.42Å; C124-M169 VanDerWaalsContact SG-CG 3.51Å; L155-M169 HydrophobicContact CD1-CE 3.85Å; L155-M169 HydrophobicContact CD2-CE 3.81Å; L155-M169 HydrophobicContact CG-CE 3.87Å; M159-M169 HydrophobicContact CE-CE 4.16Å; M159-M169 HydrophobicContact CG-CE 3.68Å; M159-M169 HydrophobicContact SD-CE 3.48Å; M159-M169 WeakPolarHBondContact SD-CE 3.43Å; M169-S171 WeakPolarHBondContact SD-CB 3.32Å; M169-S171 PolarHBondContact SD-N 3.49Å; M169-S171 VanDerWaalsContact SD-N 3.41Å; M169-D187 CarbonylContact O-C 3.44Å; M169-D187 WeakPolarHBondContact O-CA 3.5Å; M169-H188 PolarHBondContact O-N 3.2Å; M169-H188 PolarHBondContact O-ND1 3.23Å
170	G	94.7	Very high	93.1	Very high	6 Å²	6	49.8 Å²	49.8	6%	0.062	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	84.3	171.2	0	0	0	0	0	109.7	S118 V186 T200	S118-G170 WeakPolarHBondContact CB-O 3.34Å; S118-G170 PolarHBondContact O-N 3.16Å; G170-V186 CarbonylContact C-O 3.6Å; G170-T200 PolarHBondContact O-OG1 2.86Å
171	S	96.6	Very high	93.3	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	144	-173.4	-175.9	0	0	0	0	112.1	T116 E128 M169 V186	T116-S171 PolarHBondContact N-OG 3.44Å; T116-S171 VanDerWaalsContact O-CA 3.26Å; T116-S171 WeakPolarHBondContact O-CA 3.12Å; T116-S171 VanDerWaalsContact O-CB 3.25Å; T116-S171 WeakPolarHBondContact O-CB 3.49Å; T116-S171 PolarHBondContact O-OG 3.29Å; E128-S171 VanDerWaalsContact OE1-CB 3.22Å; E128-S171 WeakPolarHBondContact OE1-CB 3.34Å; E128-S171 PolarHBondContact OE1-OG 3.34Å; M169-S171 WeakPolarHBondContact SD-CB 3.32Å; M169-S171 PolarHBondContact SD-N 3.49Å; M169-S171 VanDerWaalsContact SD-N 3.41Å; S171-V186 PolarHBondContact N-O 2.83Å; S171-V186 PolarHBondContact O-N 3.25Å
172	M	98.4	Very high	93.5	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	117.8	169.8	-64	174.7	-67.7	0	0	108.8	T75 A77 G115 T116 L183 Y184 Y185 F198 T200	T75-M172 WeakPolarHBondContact OG1-CE 3.45Å; A77-M172 HydrophobicContact CB-CE 4.19Å; A77-M172 HydrophobicContact CB-SD 3.93Å; G115-M172 WeakPolarHBondContact CA-O 3.41Å; T116-M172 HydrophobicContact CG2-CB 4.2Å; T116-M172 HydrophobicContact CG2-CE 3.81Å; T116-M172 PolarHBondContact N-O 3.24Å; T116-M172 WeakPolarHBondContact OG1-CB 3.37Å; T116-M172 WeakPolarHBondContact OG1-CE 3.36Å; T116-M172 PolarHBondContact OG1-N 2.82Å; M172-L183 HydrophobicContact CB-CD1 4.22Å; M172-Y184 CarbonylContact C-O 3.18Å; M172-Y184 VanDerWaalsContact CA-O 3.3Å; M172-Y184 WeakPolarHBondContact CA-O 3.17Å; M172-Y185 HydrophobicContact CG-CD2 4.34Å; M172-F198 HydrophobicContact CG-CB 4.18Å; M172-F198 HydrophobicContact SD-CB 3.43Å; M172-F198 WeakPolarHBondContact SD-CB 3.47Å; M172-T200 HydrophobicContact CE-CG2 4.32Å; M172-T200 HydrophobicContact CG-CG2 4.03Å; M172-T200 HydrophobicContact SD-CG2 4.06Å
173	I	98.5	Very high	94	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	111.3	174.8	-54.9	-55.8	0	0	0	108.5	I109 L113 L131 V148 L155 L183 Y184 V186	I109-I173 HydrophobicContact CD1-CD1 4Å; L113-I173 HydrophobicContact CD1-CG2 3.76Å; L113-I173 HydrophobicContact CD2-CG2 4.22Å; L113-I173 HydrophobicContact CG-CG2 4.07Å; L131-I173 HydrophobicContact CD2-CD1 4.05Å; V148-I173 HydrophobicContact CG1-CG2 4.11Å; L155-I173 HydrophobicContact CD2-CD1 3.83Å; L155-I173 HydrophobicContact CD2-CG1 4.09Å; I173-L183 WeakPolarHBondContact O-CA 3.32Å; I173-Y184 PolarHBondContact N-O 3.4Å; I173-Y184 PolarHBondContact O-N 3.19Å; I173-V186 HydrophobicContact CG1-CG2 4.44Å
174	C	98.1	Very high	94.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	141.4	179.6	110.7	0	0	0	0	110.2	V84 V86 L113 L114 G182 L183 M251	V84-C174 HydrophobicContact CG1-CB 4.26Å; V86-C174 HydrophobicContact CG2-CB 3.96Å; V86-C174 VanDerWaalsContact CG2-SG 3.52Å; L113-C174 CarbonylContact C-O 3.59Å; L113-C174 WeakPolarHBondContact CA-O 3.2Å; L113-C174 WeakPolarHBondContact CD1-O 3.18Å; L114-C174 PolarHBondContact N-O 2.87Å; L114-C174 PolarHBondContact O-N 2.97Å; C174-G182 WeakPolarHBondContact CA-O 3.48Å; C174-L183 HydrophobicContact CB-CD1 3.86Å; C174-M251 VanDerWaalsContact SG-CE 3.6Å
175	G	97.9	Very high	95.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.8	177.8	177.6	0	0	0	0	0	112.6	Y112 G182	Y112-G175 VanDerWaalsContact O-CA 3.24Å; Y112-G175 WeakPolarHBondContact O-CA 3.21Å; G175-G182 PolarHBondContact N-O 3.1Å; G175-G182 PolarHBondContact O-N 2.82Å
176	W	97	Very high	95.7	Very high	61 Å²	61	32.2 Å²	32.2	23%	0.231	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	122	171.5	-158.4	-60.2	0	0	0	109.7	Y112 P181 M251 K253	Y112-W176 PolarHBondContact O-N 3.2Å; W176-P181 HydrophobicContact CE3-CB 4.25Å; W176-P181 HydrophobicContact CZ3-CB 4.44Å; W176-M251 HydrophobicContact CB-CG 4.38Å; W176-K253 VanDerWaalsContact CD2-CA 3.49Å; W176-K253 HydrophobicContact CD2-CB 4.01Å; W176-K253 HydrophobicContact CE3-CB 4.38Å; W176-K253 VanDerWaalsContact CE3-N 3.33Å; W176-K253 HydrophobicContact CG-CB 4.43Å; W176-K253 HydrophobicContact CH2-CB 4.38Å; W176-K253 HydrophobicContact CZ2-CB 4.03Å; W176-K253 HydrophobicContact CZ2-CG 4.43Å
177	D	94.9	Very high	96.1	Very high	28 Å²	28	31.3 Å²	31.3	15%	0.15	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	-170	177.3	70.7	25.9	0	0	0	112.3	S147 V148 K179 G180	S147-D177 WeakPolarHBondContact CB-OD2 3.41Å; V148-D177 HydrophobicContact CG2-CB 4.09Å; V148-D177 PolarHBondContact N-OD2 2.92Å; D177-K179 PolarHBondContact O-N 2.99Å; D177-K179 VanDerWaalsContact O-N 3.14Å; D177-K179 WeakPolarHBondContact OD1-CA 3.39Å; D177-K179 WeakPolarHBondContact OD1-CB 3.18Å; D177-K179 PolarHBondContact OD1-N 2.72Å; D177-G180 PolarHBondContact N-O 3.02Å; D177-G180 PolarHBondContact O-N 3.19Å
178	K	94.3	Very high	96.3	Very high	171 Å²	171	32.4 Å²	32.4	74%	0.743	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-25.5	179.7	-69	177.7	171.1	171.8	0	113.3	E144	E144-K178 WeakPolarHBondContact OE1-CE 3.42Å; E144-K178 IonicContact OE1-NZ 3.79Å; E144-K178 PolarHBondContact OE1-NZ 3.08Å; E144-K178 IonicContact OE2-NZ 2.86Å; E144-K178 PolarHBondContact OE2-NZ 2.83Å
179	K	94	Very high	96.3	Very high	190 Å²	190	35.6 Å²	35.6	83%	0.826	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-3.1	177.7	-62.8	-177.9	176.2	-179	0	112.9	D177	D177-K179 PolarHBondContact O-N 2.99Å; D177-K179 VanDerWaalsContact O-N 3.14Å; D177-K179 WeakPolarHBondContact OD1-CA 3.39Å; D177-K179 WeakPolarHBondContact OD1-CB 3.18Å; D177-K179 PolarHBondContact OD1-N 2.72Å
180	G	95.8	Very high	96.2	Very high	13 Å²	13	36.2 Å²	36.2	13%	0.134	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	104.4	-153.8	-177.5	0	0	0	0	0	112.9	D177 G182	D177-G180 PolarHBondContact N-O 3.02Å; D177-G180 PolarHBondContact O-N 3.19Å; G180-G182 PolarHBondContact O-N 2.81Å
181	P	97.4	Very high	96.3	Very high	44 Å²	44	38.5 Å²	38.5	29%	0.286	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	120.2	179.7	26.3	-32.4	0	0	0	111.8	V84 W176	V84-P181 HydrophobicContact CG2-CB 3.6Å; W176-P181 HydrophobicContact CE3-CB 4.25Å; W176-P181 HydrophobicContact CZ3-CB 4.44Å
182	G	98	Very high	96.4	Very high	7 Å²	7	41.9 Å²	41.9	7%	0.072	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	137.1	176.7	0	0	0	0	0	111.6	C174 G175 G180	C174-G182 WeakPolarHBondContact CA-O 3.48Å; G175-G182 PolarHBondContact N-O 3.1Å; G175-G182 PolarHBondContact O-N 2.82Å; G180-G182 PolarHBondContact O-N 2.81Å
183	L	98.6	Very high	96.4	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	123.1	172.9	-177.6	63.2	0	0	0	108.4	A77 K79 V84 M172 I173 C174 G195 F198	A77-L183 HydrophobicContact CB-CD1 3.7Å; A77-L183 HydrophobicContact CB-CD2 4.03Å; K79-L183 HydrophobicContact CD-CB 4.34Å; K79-L183 VanDerWaalsContact CE-N 3.32Å; K79-L183 HydrophobicContact CG-CB 4.11Å; K79-L183 HydrophobicContact CG-CD2 4.46Å; V84-L183 HydrophobicContact CG1-CD1 4.4Å; M172-L183 HydrophobicContact CB-CD1 4.22Å; I173-L183 WeakPolarHBondContact O-CA 3.32Å; C174-L183 HydrophobicContact CB-CD1 3.86Å; L183-G195 PolarHBondContact O-N 3.43Å; L183-F198 HydrophobicContact CD2-CD2 3.91Å; L183-F198 HydrophobicContact CG-CD2 3.93Å; L183-F198 HydrophobicContact CG-CE2 4.36Å
184	Y	98.8	Very high	96.4	Very high	38 Å²	38	49.7 Å²	49.7	15%	0.149	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	130.7	179.6	-70.5	-91.1	0	0	0	110.8	V148 S149 M172 I173 R192 L193 S194	V148-Y184 HydrophobicContact CB-CD2 4.49Å; V148-Y184 HydrophobicContact CB-CE2 4.35Å; V148-Y184 HydrophobicContact CG1-CD2 3.83Å; V148-Y184 HydrophobicContact CG1-CE2 4.17Å; S149-Y184 WeakPolarHBondContact CB-OH 3.41Å; M172-Y184 CarbonylContact C-O 3.18Å; M172-Y184 VanDerWaalsContact CA-O 3.3Å; M172-Y184 WeakPolarHBondContact CA-O 3.17Å; I173-Y184 PolarHBondContact N-O 3.4Å; I173-Y184 PolarHBondContact O-N 3.19Å; Y184-R192 HydrophobicContact CD1-CG 4.44Å; Y184-L193 CarbonylContact C-O 3.56Å; Y184-L193 WeakPolarHBondContact CA-O 3.3Å; Y184-S194 VanDerWaalsContact CE1-CB 3.49Å
185	Y	98.5	Very high	96.3	Very high	53 Å²	53	50.5 Å²	50.5	21%	0.208	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	133	165.9	172.4	-105.8	0	0	0	109.7	M172 D187 T191 R192 L193 T200	M172-Y185 HydrophobicContact CG-CD2 4.34Å; Y185-D187 HydrophobicContact CE1-CB 4.02Å; Y185-D187 WeakPolarHBondContact OH-CB 3.3Å; Y185-T191 HydrophobicContact CE1-CG2 4.44Å; Y185-R192 CarbonylContact O-C 3.59Å; Y185-R192 VanDerWaalsContact O-CA 3.3Å; Y185-R192 WeakPolarHBondContact O-CA 3.37Å; Y185-L193 HydrophobicContact CD1-CD1 4.29Å; Y185-L193 PolarHBondContact N-O 2.88Å; Y185-L193 PolarHBondContact O-N 2.61Å; Y185-T200 HydrophobicContact CD2-CG2 3.66Å; Y185-T200 HydrophobicContact CE2-CG2 3.48Å; Y185-T200 VanDerWaalsContact CE2-CG2 3.48Å
186	V	98.3	Very high	96.3	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	132.1	176.4	-177.9	0	0	0	0	109.3	L155 G170 S171 I173 T191 R192	L155-V186 HydrophobicContact CB-CG1 4.42Å; L155-V186 HydrophobicContact CD2-CB 4.26Å; L155-V186 HydrophobicContact CD2-CG1 4.15Å; L155-V186 HydrophobicContact CG-CG1 4.05Å; G170-V186 CarbonylContact C-O 3.6Å; S171-V186 PolarHBondContact N-O 2.83Å; S171-V186 PolarHBondContact O-N 3.25Å; I173-V186 HydrophobicContact CG1-CG2 4.44Å; V186-T191 VanDerWaalsContact CA-O 3.31Å; V186-T191 WeakPolarHBondContact CA-O 3.22Å; V186-R192 HydrophobicContact CG2-CG 4.3Å
187	D	95.4	Very high	96.3	Very high	13 Å²	13	53.7 Å²	53.7	7%	0.07	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	169.1	175.6	75.8	12.6	0	0	0	113.4	M169 Y185 N189 G190 T191	M169-D187 CarbonylContact O-C 3.44Å; M169-D187 WeakPolarHBondContact O-CA 3.5Å; Y185-D187 HydrophobicContact CE1-CB 4.02Å; Y185-D187 WeakPolarHBondContact OH-CB 3.3Å; D187-N189 PolarHBondContact O-N 3.06Å; D187-N189 VanDerWaalsContact OD1-CA 3.31Å; D187-N189 WeakPolarHBondContact OD1-CA 3.48Å; D187-N189 WeakPolarHBondContact OD1-CB 3.16Å; D187-N189 PolarHBondContact OD1-N 3.14Å; D187-G190 PolarHBondContact O-N 2.72Å; D187-G190 PolarHBondContact OD1-N 3.47Å; D187-T191 VanDerWaalsContact CG-OG1 3.24Å; D187-T191 PolarHBondContact N-O 2.74Å; D187-T191 VanDerWaalsContact N-O 3.17Å; D187-T191 WeakPolarHBondContact OD1-CA 3.21Å; D187-T191 WeakPolarHBondContact OD1-CB 3.08Å; D187-T191 PolarHBondContact OD1-N 2.58Å; D187-T191 PolarHBondContact OD1-OG1 3.3Å; D187-T191 VanDerWaalsContact OD1-OG1 3.09Å; D187-T191 WeakPolarHBondContact OD2-CB 3.36Å; D187-T191 PolarHBondContact OD2-OG1 2.96Å
188	H	93.1	Very high	96.5	Very high	50 Å²	50	53.7 Å²	53.7	23%	0.231	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-17.7	175	60.7	-83.9	0	0	0	114.4	L167 M169 G190	L167-H188 HydrophobicContact CB-CB 4.11Å; L167-H188 WeakPolarHBondContact O-CB 3.24Å; L167-H188 PolarHBondContact O-CD2 2.87Å; L167-H188 VanDerWaalsContact O-CG 3.23Å; M169-H188 PolarHBondContact O-N 3.2Å; M169-H188 PolarHBondContact O-ND1 3.23Å; H188-G190 VanDerWaalsContact C-N 3.25Å
189	N	92.3	Very high	96.7	Very high	71 Å²	71	45.8 Å²	45.8	38%	0.38	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-6	173.9	-69.4	-44.4	0	0	0	112.6	D187	D187-N189 PolarHBondContact O-N 3.06Å; D187-N189 VanDerWaalsContact OD1-CA 3.31Å; D187-N189 WeakPolarHBondContact OD1-CA 3.48Å; D187-N189 WeakPolarHBondContact OD1-CB 3.16Å; D187-N189 PolarHBondContact OD1-N 3.14Å
190	G	90.6	Very high	96.8	Very high	15 Å²	15	37.1 Å²	37.1	16%	0.155	20%	0.203	C	C	.	.			trans	86.3	8.2	-175.7	0	0	0	0	0	113.6	D187 H188 R192	D187-G190 PolarHBondContact O-N 2.72Å; D187-G190 PolarHBondContact OD1-N 3.47Å; H188-G190 VanDerWaalsContact C-N 3.25Å; G190-R192 PolarHBondContact O-N 2.94Å
191	T	96.8	Very high	96.8	Very high	53 Å²	53	37.2 Å²	37.2	33%	0.325	20%	0.204	S	C	.	.			trans	-58.7	135.9	170.4	-53.1	0	0	0	0	108.7	Y185 V186 D187 L193	Y185-T191 HydrophobicContact CE1-CG2 4.44Å; V186-T191 VanDerWaalsContact CA-O 3.31Å; V186-T191 WeakPolarHBondContact CA-O 3.22Å; D187-T191 VanDerWaalsContact CG-OG1 3.24Å; D187-T191 PolarHBondContact N-O 2.74Å; D187-T191 VanDerWaalsContact N-O 3.17Å; D187-T191 WeakPolarHBondContact OD1-CA 3.21Å; D187-T191 WeakPolarHBondContact OD1-CB 3.08Å; D187-T191 PolarHBondContact OD1-N 2.58Å; D187-T191 PolarHBondContact OD1-OG1 3.3Å; D187-T191 VanDerWaalsContact OD1-OG1 3.09Å; D187-T191 WeakPolarHBondContact OD2-CB 3.36Å; D187-T191 PolarHBondContact OD2-OG1 2.96Å; T191-L193 HydrophobicContact CG2-CD1 3.98Å; T191-L193 HydrophobicContact CG2-CD2 4.33Å; T191-L193 HydrophobicContact CG2-CG 3.81Å
192	R	98.1	Very high	96.6	Very high	71 Å²	71	37 Å²	37	27%	0.268	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	109.9	175.8	-179.6	-178	170.5	-78.4	1.5	110.2	S149 S152 Y184 Y185 V186 G190	S149-R192 PolarHBondContact O-NH2 3.37Å; S152-R192 PolarHBondContact OG-NE 3.04Å; S152-R192 PolarHBondContact OG-NH2 2.91Å; Y184-R192 HydrophobicContact CD1-CG 4.44Å; Y185-R192 CarbonylContact O-C 3.59Å; Y185-R192 VanDerWaalsContact O-CA 3.3Å; Y185-R192 WeakPolarHBondContact O-CA 3.37Å; V186-R192 HydrophobicContact CG2-CG 4.3Å; G190-R192 PolarHBondContact O-N 2.94Å
193	L	98.4	Very high	96.5	Very high	89 Å²	89	36.6 Å²	36.6	47%	0.466	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	135.8	-175.1	-58.9	174.5	0	0	0	110.7	Y184 Y185 T191 F198	Y184-L193 CarbonylContact C-O 3.56Å; Y184-L193 WeakPolarHBondContact CA-O 3.3Å; Y185-L193 HydrophobicContact CD1-CD1 4.29Å; Y185-L193 PolarHBondContact N-O 2.88Å; Y185-L193 PolarHBondContact O-N 2.61Å; T191-L193 HydrophobicContact CG2-CD1 3.98Å; T191-L193 HydrophobicContact CG2-CD2 4.33Å; T191-L193 HydrophobicContact CG2-CG 3.81Å; L193-F198 HydrophobicContact CB-CE1 4.34Å; L193-F198 HydrophobicContact CB-CZ 3.94Å
194	S	98.2	Very high	96.3	Very high	76 Å²	76	39 Å²	39	53%	0.531	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	132.4	167	-177.7	0	0	0	0	108.2	Y184	Y184-S194 VanDerWaalsContact CE1-CB 3.49Å
195	G	96.4	Very high	96.3	Very high	18 Å²	18	41.4 Å²	41.4	19%	0.186	23%	0.232	C	C	.	.			trans	-148.9	171.2	-178.7	0	0	0	0	0	112.3	K79 L183	K79-G195 WeakPolarHBondContact CE-O 3.31Å; K79-G195 PolarHBondContact NZ-O 3.35Å; L183-G195 PolarHBondContact O-N 3.43Å
196	Q	97.3	Very high	96.2	Very high	97 Å²	97	43.9 Å²	43.9	45%	0.453	24%	0.242	S	C	.	.	S	Bend	trans	-83.8	-27.7	170.6	-65.8	-60.9	-29.4	0	0	111.3	F78 K79	F78-Q196 CarbonylContact C-O 3.49Å; F78-Q196 VanDerWaalsContact CA-O 3.27Å; F78-Q196 WeakPolarHBondContact CA-O 3.35Å; K79-Q196 PolarHBondContact N-O 3.01Å
197	M	98.1	Very high	96.2	Very high	31 Å²	31	43.9 Å²	43.9	15%	0.153	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	141.9	-171.7	176.5	167.2	77.8	0	0	110.1	A77 F78 Y208 M211 D212 Y215	A77-M197 CarbonylContact O-C 3.58Å; A77-M197 VanDerWaalsContact O-CA 3.3Å; A77-M197 WeakPolarHBondContact O-CA 3.35Å; F78-M197 HydrophobicContact CB-CB 3.89Å; F78-M197 HydrophobicContact CB-CG 3.85Å; F78-M197 HydrophobicContact CB-SD 4.2Å; M197-Y208 HydrophobicContact CE-CD1 4.43Å; M197-M211 HydrophobicContact CE-CE 4.16Å; M197-M211 HydrophobicContact CG-CE 3.3Å; M197-M211 HydrophobicContact CG-CG 4.35Å; M197-M211 HydrophobicContact CG-SD 3.55Å; M197-M211 VanDerWaalsContact CG-SD 3.55Å; M197-M211 HydrophobicContact SD-CB 4.32Å; M197-M211 HydrophobicContact SD-CE 3.41Å; M197-M211 WeakPolarHBondContact SD-CE 3.47Å; M197-M211 HydrophobicContact SD-CG 3.37Å; M197-M211 WeakPolarHBondContact SD-CG 3.22Å; M197-M211 HydrophobicContact SD-SD 3.39Å; M197-D212 WeakPolarHBondContact CE-OD1 3.45Å; M197-Y215 HydrophobicContact SD-CG 4.46Å
198	F	98.6	Very high	96.4	Very high	27 Å²	27	46.4 Å²	46.4	12%	0.118	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	153.3	175.7	-67.5	-63.6	0	0	0	110.3	L76 A77 M172 L183 L193 Y208	L76-F198 CarbonylContact C-O 3.6Å; L76-F198 WeakPolarHBondContact CA-O 3.44Å; A77-F198 PolarHBondContact N-O 2.79Å; A77-F198 PolarHBondContact O-N 3.22Å; M172-F198 HydrophobicContact CG-CB 4.18Å; M172-F198 HydrophobicContact SD-CB 3.43Å; M172-F198 WeakPolarHBondContact SD-CB 3.47Å; L183-F198 HydrophobicContact CD2-CD2 3.91Å; L183-F198 HydrophobicContact CG-CD2 3.93Å; L183-F198 HydrophobicContact CG-CE2 4.36Å; L193-F198 HydrophobicContact CB-CE1 4.34Å; L193-F198 HydrophobicContact CB-CZ 3.94Å; F198-Y208 WeakPolarHBondContact CA-OH 3.31Å
199	S	98	Very high	96.6	Very high	6 Å²	6	46.4 Å²	46.4	4%	0.042	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	139.4	164.9	-176.5	0	0	0	0	110.1	T75 N204 A207 Y208	T75-S199 CarbonylContact O-C 3.51Å; T75-S199 WeakPolarHBondContact O-CA 2.97Å; T75-S199 WeakPolarHBondContact O-CB 3.35Å; T75-S199 PolarHBondContact O-OG 3.44Å; S199-N204 WeakPolarHBondContact OG-CA 3.36Å; S199-N204 WeakPolarHBondContact OG-CB 3.33Å; S199-A207 WeakPolarHBondContact OG-CB 3.14Å; S199-Y208 VanDerWaalsContact N-CZ 3.28Å; S199-Y208 PolarHBondContact N-OH 3.02Å
200	T	96.7	Very high	96.8	Very high	7 Å²	7	44.5 Å²	44.5	4%	0.043	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	159.7	-176.2	81.5	0	0	0	0	111.3	T75 S118 G170 M172 Y185	T75-T200 PolarHBondContact N-O 2.72Å; T75-T200 PolarHBondContact O-N 3.45Å; T75-T200 PolarHBondContact OG1-OG1 3.46Å; S118-T200 WeakPolarHBondContact CB-OG1 3.24Å; S118-T200 PolarHBondContact OG-OG1 3.41Å; G170-T200 PolarHBondContact O-OG1 2.86Å; M172-T200 HydrophobicContact CE-CG2 4.32Å; M172-T200 HydrophobicContact CG-CG2 4.03Å; M172-T200 HydrophobicContact SD-CG2 4.06Å; Y185-T200 HydrophobicContact CD2-CG2 3.66Å; Y185-T200 HydrophobicContact CE2-CG2 3.48Å; Y185-T200 VanDerWaalsContact CE2-CG2 3.48Å
201	G	94.4	Very high	97.2	Very high	15 Å²	15	43.8 Å²	43.8	16%	0.155	25%	0.248	C	C	.	.	S	Bend	trans	94.9	179.2	-176.4	0	0	0	0	0	113.2	T73 S118 G203 N204	T73-G201 CarbonylContact O-C 3.55Å; T73-G201 WeakPolarHBondContact O-CA 3.22Å; S118-G201 VanDerWaalsContact OG-CA 3.26Å; S118-G201 WeakPolarHBondContact OG-CA 3.34Å; S118-G201 PolarHBondContact OG-N 2.92Å; G201-G203 VanDerWaalsContact C-N 3.31Å; G201-G203 PolarHBondContact O-N 3.2Å; G201-N204 VanDerWaalsContact O-CB 3.32Å; G201-N204 WeakPolarHBondContact O-CB 3.19Å; G201-N204 VanDerWaalsContact O-CG 3.26Å; G201-N204 PolarHBondContact O-N 3.4Å; G201-N204 PolarHBondContact O-OD1 3.24Å
202	S	94.1	Very high	97.2	Very high	39 Å²	39	45.9 Å²	45.9	27%	0.273	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-34.6	-177.6	50.1	0	0	0	0	114.4	H71 G72 T73 N204 D239	H71-S202 WeakPolarHBondContact O-CB 3.45Å; H71-S202 PolarHBondContact O-N 3.27Å; H71-S202 PolarHBondContact O-OG 3.27Å; H71-S202 VanDerWaalsContact O-OG 3.1Å; G72-S202 WeakPolarHBondContact CA-OG 3.24Å; T73-S202 PolarHBondContact N-OG 3.36Å; T73-S202 PolarHBondContact O-N 3.36Å; T73-S202 PolarHBondContact O-OG 3.16Å; S202-N204 VanDerWaalsContact C-N 3.34Å; S202-D239 WeakPolarHBondContact CB-OD2 3.39Å; S202-D239 PolarHBondContact OG-OD2 2.81Å
203	G	95.5	Very high	97.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	12	-178.9	0	0	0	0	0	114.8	T73 T74 G201 T205 Y206 A207 D239	T73-G203 PolarHBondContact O-N 3.09Å; T74-G203 VanDerWaalsContact OG1-CA 3.24Å; T74-G203 WeakPolarHBondContact OG1-CA 3.38Å; G201-G203 VanDerWaalsContact C-N 3.31Å; G201-G203 PolarHBondContact O-N 3.2Å; G203-T205 VanDerWaalsContact C-N 3.35Å; G203-T205 PolarHBondContact O-N 2.86Å; G203-Y206 PolarHBondContact O-N 3.41Å; G203-A207 PolarHBondContact O-N 2.89Å; G203-D239 PolarHBondContact N-OD2 3.1Å
204	N	95.8	Very high	97	Very high	49 Å²	49	44.2 Å²	44.2	26%	0.262	27%	0.268	S	S	.	.	H	α-helix	trans	-60.5	-39.1	-173.1	71.3	-25.4	0	0	0	114	S199 G201 S202 Y206 A207 Y208	S199-N204 WeakPolarHBondContact OG-CA 3.36Å; S199-N204 WeakPolarHBondContact OG-CB 3.33Å; G201-N204 VanDerWaalsContact O-CB 3.32Å; G201-N204 WeakPolarHBondContact O-CB 3.19Å; G201-N204 VanDerWaalsContact O-CG 3.26Å; G201-N204 PolarHBondContact O-N 3.4Å; G201-N204 PolarHBondContact O-OD1 3.24Å; S202-N204 VanDerWaalsContact C-N 3.34Å; N204-Y206 VanDerWaalsContact C-N 3.34Å; N204-Y206 PolarHBondContact O-N 3.09Å; N204-A207 PolarHBondContact O-N 2.79Å; N204-Y208 WeakPolarHBondContact O-CD2 3.26Å; N204-Y208 PolarHBondContact O-N 3.02Å
205	T	96.9	Very high	97	Very high	90 Å²	90	43.1 Å²	43.1	55%	0.552	25%	0.252	S	S	*	.	H	α-helix	trans	-63.8	-39.9	-178.8	51.1	0	0	0	0	111.9	G203 G209	G203-T205 VanDerWaalsContact C-N 3.35Å; G203-T205 PolarHBondContact O-N 2.86Å; T205-G209 PolarHBondContact O-N 3.17Å
206	Y	97.8	Very high	97	Very high	105 Å²	105	47.4 Å²	47.4	41%	0.412	26%	0.263	S	S	.	.	H	α-helix	trans	-67.4	-40.4	175.5	-54	-63.4	0	0	0	111.6	G203 N204 G209 V210 R238 D239	G203-Y206 PolarHBondContact O-N 3.41Å; N204-Y206 VanDerWaalsContact C-N 3.34Å; N204-Y206 PolarHBondContact O-N 3.09Å; Y206-G209 PolarHBondContact O-N 3.25Å; Y206-V210 PolarHBondContact O-N 3.34Å; Y206-R238 HydrophobicContact CD1-CB 3.77Å; Y206-R238 HydrophobicContact CD1-CG 4.11Å; Y206-R238 HydrophobicContact CD2-CB 3.99Å; Y206-R238 HydrophobicContact CE1-CB 3.69Å; Y206-R238 HydrophobicContact CE1-CG 4.21Å; Y206-R238 HydrophobicContact CE2-CB 3.92Å; Y206-R238 HydrophobicContact CG-CB 3.92Å; Y206-D239 HydrophobicContact CD2-CB 4.08Å; Y206-D239 HydrophobicContact CE2-CB 3.95Å
207	A	98	Very high	96.9	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-63.1	-45.4	176.8	0	0	0	0	0	111.3	T74 L76 S199 G203 N204 G209 V210 M211 A235	T74-A207 HydrophobicContact CG2-CB 3.89Å; L76-A207 HydrophobicContact CD2-CB 4.07Å; S199-A207 WeakPolarHBondContact OG-CB 3.14Å; G203-A207 PolarHBondContact O-N 2.89Å; N204-A207 PolarHBondContact O-N 2.79Å; A207-G209 PolarHBondContact O-N 3.04Å; A207-V210 PolarHBondContact O-N 2.97Å; A207-M211 WeakPolarHBondContact O-CB 3.45Å; A207-M211 PolarHBondContact O-N 3.3Å; A207-A235 HydrophobicContact CB-CB 4.26Å
208	Y	98.4	Very high	96.9	Very high	65 Å²	65	52.7 Å²	52.7	26%	0.255	29%	0.291	S	S	.	.	H	α-helix	trans	-56.1	-47.5	174.7	-82.8	-63	0	0	0	111.9	M197 F198 S199 N204 V210 M211 D212	M197-Y208 HydrophobicContact CE-CD1 4.43Å; F198-Y208 WeakPolarHBondContact CA-OH 3.31Å; S199-Y208 VanDerWaalsContact N-CZ 3.28Å; S199-Y208 PolarHBondContact N-OH 3.02Å; N204-Y208 WeakPolarHBondContact O-CD2 3.26Å; N204-Y208 PolarHBondContact O-N 3.02Å; Y208-V210 VanDerWaalsContact C-N 3.29Å; Y208-V210 PolarHBondContact O-N 3.23Å; Y208-M211 HydrophobicContact CD1-CE 3.69Å; Y208-M211 HydrophobicContact CE1-CE 3.93Å; Y208-M211 HydrophobicContact CG-CE 4.45Å; Y208-M211 PolarHBondContact O-N 3.48Å; Y208-M211 VanDerWaalsContact O-N 3.14Å; Y208-D212 VanDerWaalsContact O-CB 3.28Å; Y208-D212 WeakPolarHBondContact O-CB 3.31Å; Y208-D212 PolarHBondContact O-N 2.99Å
209	G	98	Very high	96.8	Very high	50 Å²	50	51.6 Å²	51.6	52%	0.515	29%	0.286	S	S	.	.	H	α-helix	trans	-55.1	-41.2	-178.6	0	0	0	0	0	114.2	T205 Y206 A207	T205-G209 PolarHBondContact O-N 3.17Å; Y206-G209 PolarHBondContact O-N 3.25Å; A207-G209 PolarHBondContact O-N 3.04Å
210	V	97.8	Very high	96.8	Very high	32 Å²	32	53.4 Å²	53.4	19%	0.194	30%	0.299	C	S	.	.	H	α-helix	trans	-76.5	-45.5	176.3	179	0	0	0	0	111	Y206 A207 Y208 S213 G214 R230 A231 Y234	Y206-V210 PolarHBondContact O-N 3.34Å; A207-V210 PolarHBondContact O-N 2.97Å; Y208-V210 VanDerWaalsContact C-N 3.29Å; Y208-V210 PolarHBondContact O-N 3.23Å; V210-S213 PolarHBondContact O-N 2.73Å; V210-S213 PolarHBondContact O-OG 2.99Å; V210-G214 PolarHBondContact O-N 3.33Å; V210-R230 HydrophobicContact CG1-CB 4.24Å; V210-A231 HydrophobicContact CB-CB 4.1Å; V210-A231 HydrophobicContact CG1-CB 4.08Å; V210-Y234 HydrophobicContact CG1-CD2 4.32Å; V210-Y234 HydrophobicContact CG2-CD2 3.97Å; V210-Y234 HydrophobicContact CG2-CG 4.34Å
211	M	97.3	Very high	96.9	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-64.4	-48	-174.9	-168	174.8	45.6	0	0	111.8	L76 F78 M197 A207 Y208 S213 G214 Y215 A231	L76-M211 HydrophobicContact CB-CE 4.4Å; L76-M211 HydrophobicContact CB-SD 4.15Å; L76-M211 HydrophobicContact CD1-SD 4.05Å; L76-M211 HydrophobicContact CD2-SD 4.39Å; L76-M211 HydrophobicContact CG-SD 4.44Å; F78-M211 HydrophobicContact CB-SD 4.45Å; F78-M211 HydrophobicContact CD1-CG 4.19Å; F78-M211 HydrophobicContact CD1-SD 3.68Å; F78-M211 HydrophobicContact CE1-SD 4.42Å; F78-M211 HydrophobicContact CG-SD 4.46Å; M197-M211 HydrophobicContact CE-CE 4.16Å; M197-M211 HydrophobicContact CG-CE 3.3Å; M197-M211 HydrophobicContact CG-CG 4.35Å; M197-M211 HydrophobicContact CG-SD 3.55Å; M197-M211 VanDerWaalsContact CG-SD 3.55Å; M197-M211 HydrophobicContact SD-CB 4.32Å; M197-M211 HydrophobicContact SD-CE 3.41Å; M197-M211 WeakPolarHBondContact SD-CE 3.47Å; M197-M211 HydrophobicContact SD-CG 3.37Å; M197-M211 WeakPolarHBondContact SD-CG 3.22Å; M197-M211 HydrophobicContact SD-SD 3.39Å; A207-M211 WeakPolarHBondContact O-CB 3.45Å; A207-M211 PolarHBondContact O-N 3.3Å; Y208-M211 HydrophobicContact CD1-CE 3.69Å; Y208-M211 HydrophobicContact CE1-CE 3.93Å; Y208-M211 HydrophobicContact CG-CE 4.45Å; Y208-M211 PolarHBondContact O-N 3.48Å; Y208-M211 VanDerWaalsContact O-N 3.14Å; M211-S213 PolarHBondContact O-N 3.15Å; M211-G214 PolarHBondContact O-N 3.43Å; M211-Y215 WeakPolarHBondContact O-CB 3.25Å; M211-Y215 PolarHBondContact O-N 3.03Å; M211-A231 HydrophobicContact CB-CB 4.31Å
212	D	97.8	Very high	97.1	Very high	96 Å²	96	60.5 Å²	60.5	51%	0.513	33%	0.331	S	S	.	.	H	α-helix	trans	-60	-33.5	177	-76.6	-48.9	0	0	0	112.3	M197 Y208	M197-D212 WeakPolarHBondContact CE-OD1 3.45Å; Y208-D212 VanDerWaalsContact O-CB 3.28Å; Y208-D212 WeakPolarHBondContact O-CB 3.31Å; Y208-D212 PolarHBondContact O-N 2.99Å
213	S	97.2	Very high	97.2	Very high	100 Å²	100	62.6 Å²	62.6	70%	0.699	34%	0.336	S	S	*	.	H	α-helix	trans	-72.8	-30.2	-178.5	74.9	0	0	0	0	114	V210 M211	V210-S213 PolarHBondContact O-N 2.73Å; V210-S213 PolarHBondContact O-OG 2.99Å; M211-S213 PolarHBondContact O-N 3.15Å
214	G	95.1	Very high	97.4	Very high	26 Å²	26	62.6 Å²	62.6	27%	0.268	34%	0.336	S	S	.	.	H	α-helix	trans	-110.1	-8.1	-174.7	0	0	0	0	0	114.8	V210 M211	V210-G214 PolarHBondContact O-N 3.33Å; M211-G214 PolarHBondContact O-N 3.43Å
215	Y	97.8	Very high	97.5	Very high	52 Å²	52	61.3 Å²	61.3	20%	0.204	33%	0.328	C	S	.	.			trans	-71.2	131	-173.9	176.4	-103.1	0	0	0	112.7	F78 K79 M197 M211 Q217 L219	F78-Y215 HydrophobicContact CB-CE2 4.25Å; F78-Y215 AromaticContact CD2-CD2 3.92Å; F78-Y215 HydrophobicContact CD2-CD2 3.92Å; F78-Y215 AromaticContact CD2-CE2 3.74Å; F78-Y215 HydrophobicContact CD2-CE2 3.74Å; F78-Y215 HydrophobicContact CE2-CD2 4.43Å; F78-Y215 HydrophobicContact CG-CD2 4.31Å; F78-Y215 HydrophobicContact CG-CE2 4.28Å; K79-Y215 VanDerWaalsContact O-CE2 3.23Å; K79-Y215 WeakPolarHBondContact O-CE2 3.1Å; K79-Y215 PolarHBondContact O-OH 2.98Å; M197-Y215 HydrophobicContact SD-CG 4.46Å; M211-Y215 WeakPolarHBondContact O-CB 3.25Å; M211-Y215 PolarHBondContact O-N 3.03Å; Y215-Q217 HydrophobicContact CE1-CG 4.41Å; Y215-L219 HydrophobicContact CD2-CD1 4.42Å
216	R	97.1	Very high	97.6	Very high	109 Å²	109	59.2 Å²	59.2	41%	0.411	31%	0.313	S	S	.	.			trans	-139	150.4	166.7	-49.6	-173.6	-60.9	-85.2	3.1	109.3	D218 L219 E223	R216-D218 VanDerWaalsContact C-N 3.27Å; R216-D218 WeakPolarHBondContact CB-OD1 3.42Å; R216-D218 IonicContact NE-OD1 3.18Å; R216-D218 PolarHBondContact O-N 3.37Å; R216-L219 HydrophobicContact CB-CD2 4.42Å; R216-L219 HydrophobicContact CB-CG 4.1Å; R216-L219 VanDerWaalsContact O-CD1 3.3Å; R216-L219 WeakPolarHBondContact O-CD1 3.26Å; R216-L219 VanDerWaalsContact O-CG 3.22Å; R216-L219 WeakPolarHBondContact O-CG 3.32Å; R216-E223 IonicContact NH2-OE1 2.84Å; R216-E223 PolarHBondContact NH2-OE1 3.38Å; R216-E223 IonicContact NH2-OE2 3.11Å
217	Q	94.9	Very high	97.6	Very high	130 Å²	130	55 Å²	55	61%	0.607	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-28.3	179.4	-73.3	-166.4	-2.4	0	0	112.8	Q81 Y215	Q81-Q217 WeakPolarHBondContact CB-O 3.24Å; Q81-Q217 PolarHBondContact N-O 2.75Å; Y215-Q217 HydrophobicContact CE1-CG 4.41Å
218	D	96.8	Very high	97.6	Very high	109 Å²	109	55 Å²	55	58%	0.583	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	22.6	-176.3	64.5	-26.9	0	0	0	113.3	R216	R216-D218 VanDerWaalsContact C-N 3.27Å; R216-D218 WeakPolarHBondContact CB-OD1 3.42Å; R216-D218 IonicContact NE-OD1 3.18Å; R216-D218 PolarHBondContact O-N 3.37Å
219	L	97.6	Very high	97.6	Very high	4 Å²	4	53.8 Å²	53.8	2%	0.021	29%	0.293	C	S	.	.			trans	-60.4	137	173.6	-72.7	166.7	0	0	0	111.1	F80 H82 Y215 R216 E223 A224 L227	F80-L219 HydrophobicContact CD2-CB 4.36Å; F80-L219 WeakPolarHBondContact CD2-O 3.43Å; H82-L219 PolarHBondContact CD2-O 3.45Å; Y215-L219 HydrophobicContact CD2-CD1 4.42Å; R216-L219 HydrophobicContact CB-CD2 4.42Å; R216-L219 HydrophobicContact CB-CG 4.1Å; R216-L219 VanDerWaalsContact O-CD1 3.3Å; R216-L219 WeakPolarHBondContact O-CD1 3.26Å; R216-L219 VanDerWaalsContact O-CG 3.22Å; R216-L219 WeakPolarHBondContact O-CG 3.32Å; L219-E223 HydrophobicContact CB-CB 4.49Å; L219-E223 HydrophobicContact CD2-CB 3.77Å; L219-A224 HydrophobicContact CB-CB 4.27Å; L219-L227 HydrophobicContact CD1-CD2 3.89Å
220	S	98.3	Very high	97.6	Very high	43 Å²	43	56.1 Å²	56.1	30%	0.301	29%	0.286	S	S	.	.			trans	-66	157.7	164.2	66.3	0	0	0	0	110.6	E222 E223 A224	S220-E222 VanDerWaalsContact C-N 3.28Å; S220-E222 PolarHBondContact O-N 2.82Å; S220-E223 WeakPolarHBondContact CB-OE2 3.46Å; S220-E223 PolarHBondContact N-OE2 3.31Å; S220-E223 PolarHBondContact O-N 3.1Å; S220-E223 VanDerWaalsContact OG-CG 3.22Å; S220-E223 WeakPolarHBondContact OG-CG 3.34Å; S220-E223 PolarHBondContact OG-N 3.28Å; S220-E223 PolarHBondContact OG-OE2 3.3Å; S220-A224 WeakPolarHBondContact O-CB 3.5Å; S220-A224 PolarHBondContact O-N 3.26Å
221	P	97.9	Very high	97.6	Very high	39 Å²	39	54.6 Å²	54.6	25%	0.253	28%	0.277	S	S	.	.	H	α-helix	trans	-54.7	-41.8	178.1	-27.7	36.3	0	0	0	113.4	H82 A224 Y225	H82-P221 HydrophobicContact CB-CG 4.37Å; P221-A224 PolarHBondContact O-N 2.79Å; P221-Y225 HydrophobicContact CB-CE2 4.19Å; P221-Y225 WeakPolarHBondContact O-CD1 3.13Å; P221-Y225 VanDerWaalsContact O-CD2 3.27Å; P221-Y225 WeakPolarHBondContact O-CD2 3.31Å; P221-Y225 PolarHBondContact O-N 3.34Å
222	E	98	Very high	97.7	Very high	133 Å²	133	54.6 Å²	54.6	62%	0.621	28%	0.277	S	S	*	.	H	α-helix	trans	-68	-39.7	-179.6	-61.2	-54.6	139.1	0	0	112.6	S220 A224 Y225 D226	S220-E222 VanDerWaalsContact C-N 3.28Å; S220-E222 PolarHBondContact O-N 2.82Å; E222-A224 VanDerWaalsContact C-N 3.35Å; E222-Y225 PolarHBondContact O-N 2.68Å; E222-D226 PolarHBondContact O-N 2.8Å
223	E	98.1	Very high	97.7	Very high	83 Å²	83	50 Å²	50	39%	0.388	25%	0.252	S	S	.	.	H	α-helix	trans	-65.6	-39.4	173.9	-69.8	170.3	115.4	0	0	111.5	R216 L219 S220 D226 L227	R216-E223 IonicContact NH2-OE1 2.84Å; R216-E223 PolarHBondContact NH2-OE1 3.38Å; R216-E223 IonicContact NH2-OE2 3.11Å; L219-E223 HydrophobicContact CB-CB 4.49Å; L219-E223 HydrophobicContact CD2-CB 3.77Å; S220-E223 WeakPolarHBondContact CB-OE2 3.46Å; S220-E223 PolarHBondContact N-OE2 3.31Å; S220-E223 PolarHBondContact O-N 3.1Å; S220-E223 VanDerWaalsContact OG-CG 3.22Å; S220-E223 WeakPolarHBondContact OG-CG 3.34Å; S220-E223 PolarHBondContact OG-N 3.28Å; S220-E223 PolarHBondContact OG-OE2 3.3Å; E223-D226 PolarHBondContact O-N 3.1Å; E223-L227 WeakPolarHBondContact O-CB 3.34Å; E223-L227 PolarHBondContact O-N 3.44Å
224	A	98.4	Very high	97.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.6	-40.3	176.4	0	0	0	0	0	111.6	F78 F80 I85 L219 S220 P221 E222 A228	F78-A224 HydrophobicContact CE2-CB 4.1Å; F78-A224 HydrophobicContact CZ-CB 4.22Å; F80-A224 HydrophobicContact CD2-CB 4.07Å; F80-A224 HydrophobicContact CE1-CB 4.5Å; F80-A224 HydrophobicContact CE2-CB 3.82Å; F80-A224 HydrophobicContact CG-CB 4.47Å; F80-A224 HydrophobicContact CZ-CB 4.07Å; I85-A224 HydrophobicContact CG1-CB 3.99Å; L219-A224 HydrophobicContact CB-CB 4.27Å; S220-A224 WeakPolarHBondContact O-CB 3.5Å; S220-A224 PolarHBondContact O-N 3.26Å; P221-A224 PolarHBondContact O-N 2.79Å; E222-A224 VanDerWaalsContact C-N 3.35Å; A224-A228 WeakPolarHBondContact O-CB 3.49Å; A224-A228 PolarHBondContact O-N 3.24Å
225	Y	98.4	Very high	97.8	Very high	22 Å²	22	47.7 Å²	47.7	9%	0.086	22%	0.22	C	C	.	.	H	α-helix	trans	-61.9	-45.9	173.9	-61.4	-19.1	0	0	0	111.6	I85 P221 E222 R229 M248 H250 V259	I85-Y225 HydrophobicContact CD1-CD1 3.73Å; I85-Y225 HydrophobicContact CD1-CE1 3.57Å; P221-Y225 HydrophobicContact CB-CE2 4.19Å; P221-Y225 WeakPolarHBondContact O-CD1 3.13Å; P221-Y225 VanDerWaalsContact O-CD2 3.27Å; P221-Y225 WeakPolarHBondContact O-CD2 3.31Å; P221-Y225 PolarHBondContact O-N 3.34Å; E222-Y225 PolarHBondContact O-N 2.68Å; Y225-R229 WeakPolarHBondContact O-CB 3.12Å; Y225-R229 PolarHBondContact O-N 2.6Å; Y225-M248 HydrophobicContact CD1-CE 4.12Å; Y225-M248 HydrophobicContact CD1-SD 4.21Å; Y225-M248 HydrophobicContact CG-CE 3.97Å; Y225-H250 HydrophobicContact CE1-CB 4.04Å; Y225-H250 AromaticContact CE1-ND1 3.58Å; Y225-H250 AromaticContact CZ-ND1 3.62Å; Y225-H250 PolarHBondContact OH-ND1 3.03Å; Y225-V259 HydrophobicContact CD1-CG1 4.27Å; Y225-V259 HydrophobicContact CD1-CG2 4.44Å; Y225-V259 HydrophobicContact CD2-CG1 4.04Å; Y225-V259 HydrophobicContact CE1-CG1 4.29Å; Y225-V259 HydrophobicContact CE1-CG2 3.93Å; Y225-V259 HydrophobicContact CE2-CG1 4.06Å; Y225-V259 HydrophobicContact CG-CG1 4.16Å
226	D	98	Very high	97.8	Very high	45 Å²	45	46 Å²	46	24%	0.241	22%	0.215	C	C	.	.	H	α-helix	trans	-65.3	-42.3	179.3	-164.4	53.4	0	0	0	112.2	E222 E223 R229 R230	E222-D226 PolarHBondContact O-N 2.8Å; E223-D226 PolarHBondContact O-N 3.1Å; D226-R229 PolarHBondContact O-N 2.99Å; D226-R229 IonicContact OD1-NH1 2.81Å; D226-R229 PolarHBondContact OD1-NH1 3.45Å; D226-R229 VanDerWaalsContact OD1-NH1 3.11Å; D226-R230 WeakPolarHBondContact O-CB 3.35Å; D226-R230 VanDerWaalsContact O-CG 3.3Å; D226-R230 WeakPolarHBondContact O-CG 3.31Å; D226-R230 PolarHBondContact O-N 3.02Å; D226-R230 IonicContact OD1-NE 3.74Å; D226-R230 IonicContact OD2-CZ 2.73Å; D226-R230 IonicContact OD2-NE 3.67Å; D226-R230 PolarHBondContact OD2-NE 3.29Å; D226-R230 IonicContact OD2-NH2 3.79Å; D226-R230 PolarHBondContact OD2-NH2 3.38Å
227	L	98.3	Very high	97.8	Very high	18 Å²	18	44.8 Å²	44.8	9%	0.094	22%	0.215	C	C	.	.	H	α-helix	trans	-59.4	-50.7	176.1	179.5	61.9	0	0	0	111.7	F78 L219 E223 R229 R230 A231	F78-L227 HydrophobicContact CZ-CD2 4.3Å; L219-L227 HydrophobicContact CD1-CD2 3.89Å; E223-L227 WeakPolarHBondContact O-CB 3.34Å; E223-L227 PolarHBondContact O-N 3.44Å; L227-R229 PolarHBondContact O-N 3.43Å; L227-R230 PolarHBondContact O-N 3.08Å; L227-A231 WeakPolarHBondContact O-CB 3.46Å; L227-A231 PolarHBondContact O-N 2.89Å
228	A	98.3	Very high	97.9	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62.2	-43.3	179.7	0	0	0	0	0	111.9	L76 F78 I85 A87 A224 A231 I232 M248	L76-A228 HydrophobicContact CD1-CB 4.16Å; F78-A228 HydrophobicContact CE1-CB 3.83Å; F78-A228 HydrophobicContact CZ-CB 4.21Å; I85-A228 HydrophobicContact CG2-CB 3.53Å; A87-A228 HydrophobicContact CB-CB 4.04Å; A224-A228 WeakPolarHBondContact O-CB 3.49Å; A224-A228 PolarHBondContact O-N 3.24Å; A228-A231 PolarHBondContact O-N 3.34Å; A228-I232 PolarHBondContact O-N 3.4Å; A228-I232 VanDerWaalsContact O-N 3.13Å; A228-M248 HydrophobicContact CB-SD 3.75Å
229	R	98.3	Very high	97.9	Very high	38 Å²	38	42.7 Å²	42.7	14%	0.143	19%	0.194	C	C	.	.	H	α-helix	trans	-60.7	-49.8	177.2	-172.6	-170.7	-55.7	120.3	-2.8	111.4	Y225 D226 L227 A231 I232 V233 E260 L267 Y271	Y225-R229 WeakPolarHBondContact O-CB 3.12Å; Y225-R229 PolarHBondContact O-N 2.6Å; D226-R229 PolarHBondContact O-N 2.99Å; D226-R229 IonicContact OD1-NH1 2.81Å; D226-R229 PolarHBondContact OD1-NH1 3.45Å; D226-R229 VanDerWaalsContact OD1-NH1 3.11Å; L227-R229 PolarHBondContact O-N 3.43Å; R229-A231 VanDerWaalsContact C-N 3.35Å; R229-A231 PolarHBondContact O-N 2.89Å; R229-I232 PolarHBondContact O-N 2.92Å; R229-V233 WeakPolarHBondContact O-CB 3.42Å; R229-V233 VanDerWaalsContact O-CG2 3.25Å; R229-V233 WeakPolarHBondContact O-CG2 3.23Å; R229-V233 PolarHBondContact O-N 3.47Å; R229-E260 IonicContact CZ-OE1 3.71Å; R229-E260 IonicContact CZ-OE2 3.34Å; R229-E260 VanDerWaalsContact NE-CD 3.35Å; R229-E260 IonicContact NE-OE1 2.8Å; R229-E260 PolarHBondContact NE-OE1 3.43Å; R229-E260 IonicContact NE-OE2 3.09Å; R229-E260 PolarHBondContact NE-OE2 2.98Å; R229-E260 VanDerWaalsContact NE-OE2 3.09Å; R229-E260 IonicContact NH2-OE1 2.61Å; R229-E260 IonicContact NH2-OE2 2.72Å; R229-E260 PolarHBondContact NH2-OE2 3.02Å; R229-L267 HydrophobicContact CG-CD1 3.64Å; R229-L267 HydrophobicContact CG-CD2 4.45Å; R229-Y271 WeakPolarHBondContact CD-OH 3.37Å
230	R	97.8	Very high	97.7	Very high	99 Å²	99	46.4 Å²	46.4	37%	0.374	22%	0.22	S	C	.	.	H	α-helix	trans	-60.6	-43.5	177.3	-74	180	-167	-137.2	9.1	111.8	V210 D226 L227 I232 V233 Y234 Y271	V210-R230 HydrophobicContact CG1-CB 4.24Å; D226-R230 WeakPolarHBondContact O-CB 3.35Å; D226-R230 VanDerWaalsContact O-CG 3.3Å; D226-R230 WeakPolarHBondContact O-CG 3.31Å; D226-R230 PolarHBondContact O-N 3.02Å; D226-R230 IonicContact OD1-NE 3.74Å; D226-R230 IonicContact OD2-CZ 2.73Å; D226-R230 IonicContact OD2-NE 3.67Å; D226-R230 PolarHBondContact OD2-NE 3.29Å; D226-R230 IonicContact OD2-NH2 3.79Å; D226-R230 PolarHBondContact OD2-NH2 3.38Å; L227-R230 PolarHBondContact O-N 3.08Å; R230-I232 PolarHBondContact O-N 2.97Å; R230-V233 PolarHBondContact O-N 3.14Å; R230-Y234 HydrophobicContact CB-CD2 4.14Å; R230-Y234 HydrophobicContact CB-CE2 4.03Å; R230-Y234 HydrophobicContact CG-CE2 4.32Å; R230-Y234 WeakPolarHBondContact O-CD2 3.36Å; R230-Y234 PolarHBondContact O-N 2.97Å; R230-Y271 HydrophobicContact CG-CE1 4.4Å; R230-Y271 HydrophobicContact CG-CE2 4.05Å
231	A	98.3	Very high	97.5	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60.1	-44.2	-179.6	0	0	0	0	0	112.2	L76 V210 M211 L227 A228 R229 A235	L76-A231 HydrophobicContact CD2-CB 3.51Å; V210-A231 HydrophobicContact CB-CB 4.1Å; V210-A231 HydrophobicContact CG1-CB 4.08Å; M211-A231 HydrophobicContact CB-CB 4.31Å; L227-A231 WeakPolarHBondContact O-CB 3.46Å; L227-A231 PolarHBondContact O-N 2.89Å; A228-A231 PolarHBondContact O-N 3.34Å; R229-A231 VanDerWaalsContact C-N 3.35Å; R229-A231 PolarHBondContact O-N 2.89Å; A231-A235 VanDerWaalsContact O-CB 3.3Å; A231-A235 WeakPolarHBondContact O-CB 3.45Å; A231-A235 PolarHBondContact O-N 3.19Å; A231-A235 VanDerWaalsContact O-N 3.12Å
232	I	98.3	Very high	97.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-66.3	-47.4	173.3	-64.2	-62.1	0	0	0	111.2	T74 L76 A87 D89 A228 R229 R230 Y234 A235 T236 V246	T74-I232 HydrophobicContact CG2-CD1 3.72Å; L76-I232 HydrophobicContact CD2-CD1 3.6Å; L76-I232 HydrophobicContact CD2-CG1 3.82Å; L76-I232 HydrophobicContact CG-CD1 3.87Å; L76-I232 HydrophobicContact CG-CG1 4.24Å; A87-I232 HydrophobicContact CB-CG1 3.8Å; D89-I232 HydrophobicContact CB-CG2 4.13Å; A228-I232 PolarHBondContact O-N 3.4Å; A228-I232 VanDerWaalsContact O-N 3.13Å; R229-I232 PolarHBondContact O-N 2.92Å; R230-I232 PolarHBondContact O-N 2.97Å; I232-Y234 PolarHBondContact O-N 3.48Å; I232-A235 PolarHBondContact O-N 2.84Å; I232-T236 HydrophobicContact CG2-CG2 3.99Å; I232-T236 VanDerWaalsContact O-CG2 3.25Å; I232-T236 WeakPolarHBondContact O-CG2 3.45Å; I232-T236 PolarHBondContact O-N 3.42Å; I232-T236 PolarHBondContact O-OG1 2.85Å; I232-V246 HydrophobicContact CB-CG1 4.17Å; I232-V246 HydrophobicContact CB-CG2 4.23Å; I232-V246 HydrophobicContact CG1-CG1 4.4Å; I232-V246 HydrophobicContact CG2-CB 4.44Å; I232-V246 HydrophobicContact CG2-CG1 4.19Å; I232-V246 HydrophobicContact CG2-CG2 3.75Å
233	V	97.9	Very high	97.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-58.4	-47.8	-177.5	169.4	0	0	0	0	111.5	R229 R230 A235 T236 H237 V246 L267 L268 Y271	R229-V233 WeakPolarHBondContact O-CB 3.42Å; R229-V233 VanDerWaalsContact O-CG2 3.25Å; R229-V233 WeakPolarHBondContact O-CG2 3.23Å; R229-V233 PolarHBondContact O-N 3.47Å; R230-V233 PolarHBondContact O-N 3.14Å; V233-A235 VanDerWaalsContact C-N 3.35Å; V233-A235 PolarHBondContact O-N 2.84Å; V233-T236 WeakPolarHBondContact CA-OG1 3.1Å; V233-T236 PolarHBondContact O-N 2.97Å; V233-T236 PolarHBondContact O-OG1 3.22Å; V233-H237 PolarHBondContact O-N 2.96Å; V233-V246 HydrophobicContact CG2-CG2 3.96Å; V233-L267 HydrophobicContact CG2-CB 3.81Å; V233-L267 HydrophobicContact CG2-CD1 3.69Å; V233-L267 HydrophobicContact CG2-CG 4.43Å; V233-L268 HydrophobicContact CG1-CB 4.12Å; V233-L268 HydrophobicContact CG1-CD1 3.92Å; V233-Y271 HydrophobicContact CB-CE2 4.18Å; V233-Y271 HydrophobicContact CG1-CD2 4.04Å; V233-Y271 HydrophobicContact CG1-CE2 3.99Å; V233-Y271 HydrophobicContact CG2-CE2 4.22Å
234	Y	97.9	Very high	97.3	Very high	77 Å²	77	36.8 Å²	36.8	30%	0.302	17%	0.168	S	C	.	.	H	α-helix	trans	-69.9	-31.6	179	-69.4	-58.9	0	0	0	113	V210 R230 I232 H237 R238	V210-Y234 HydrophobicContact CG1-CD2 4.32Å; V210-Y234 HydrophobicContact CG2-CD2 3.97Å; V210-Y234 HydrophobicContact CG2-CG 4.34Å; R230-Y234 HydrophobicContact CB-CD2 4.14Å; R230-Y234 HydrophobicContact CB-CE2 4.03Å; R230-Y234 HydrophobicContact CG-CE2 4.32Å; R230-Y234 WeakPolarHBondContact O-CD2 3.36Å; R230-Y234 PolarHBondContact O-N 2.97Å; I232-Y234 PolarHBondContact O-N 3.48Å; Y234-H237 PolarHBondContact O-N 3.23Å; Y234-R238 PolarHBondContact O-N 3.05Å
235	A	97.9	Very high	97.3	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.9	-48.5	171.1	0	0	0	0	0	111.5	T74 A207 A231 I232 V233 H237 R238 D239	T74-A235 HydrophobicContact CG2-CB 3.78Å; A207-A235 HydrophobicContact CB-CB 4.26Å; A231-A235 VanDerWaalsContact O-CB 3.3Å; A231-A235 WeakPolarHBondContact O-CB 3.45Å; A231-A235 PolarHBondContact O-N 3.19Å; A231-A235 VanDerWaalsContact O-N 3.12Å; I232-A235 PolarHBondContact O-N 2.84Å; V233-A235 VanDerWaalsContact C-N 3.35Å; V233-A235 PolarHBondContact O-N 2.84Å; A235-H237 PolarHBondContact O-N 3.31Å; A235-R238 PolarHBondContact O-N 3.43Å; A235-D239 WeakPolarHBondContact O-CB 3.09Å; A235-D239 PolarHBondContact O-N 3.4Å
236	T	97.3	Very high	97.3	Very high	16 Å²	16	36 Å²	36	10%	0.098	17%	0.165	C	C	.	.	H	α-helix	trans	-64.6	-23	176.9	62.5	0	0	0	0	113.5	D89 I232 V233 R238 V264	D89-T236 HydrophobicContact CB-CG2 3.89Å; I232-T236 HydrophobicContact CG2-CG2 3.99Å; I232-T236 VanDerWaalsContact O-CG2 3.25Å; I232-T236 WeakPolarHBondContact O-CG2 3.45Å; I232-T236 PolarHBondContact O-N 3.42Å; I232-T236 PolarHBondContact O-OG1 2.85Å; V233-T236 WeakPolarHBondContact CA-OG1 3.1Å; V233-T236 PolarHBondContact O-N 2.97Å; V233-T236 PolarHBondContact O-OG1 3.22Å; T236-R238 VanDerWaalsContact C-N 3.33Å; T236-V264 HydrophobicContact CG2-CG2 4.3Å; T236-V264 WeakPolarHBondContact OG1-CG1 3.41Å
237	H	97	Very high	97.3	Very high	85 Å²	85	34.1 Å²	34.1	39%	0.394	16%	0.155	S	C	.	.	H	α-helix	trans	-72.5	-28.9	174.8	-171.8	45	0	0	0	112.5	V233 Y234 A235 L268 R272	V233-H237 PolarHBondContact O-N 2.96Å; Y234-H237 PolarHBondContact O-N 3.23Å; A235-H237 PolarHBondContact O-N 3.31Å; H237-L268 HydrophobicContact CB-CD1 4.45Å; H237-R272 PolarHBondContact CE1-NH2 3.34Å; H237-R272 VanDerWaalsContact CE1-NH2 3.25Å; H237-R272 PolarHBondContact NE2-NH2 3.27Å
238	R	96.9	Very high	97.3	Very high	180 Å²	180	33.3 Å²	33.3	68%	0.679	15%	0.15	S	C	*	.	H	α-helix	trans	-101.5	-39.1	-176.8	-66.8	-63.1	-172.4	168.9	-0.3	113.2	Y206 Y234 A235 T236	Y206-R238 HydrophobicContact CD1-CB 3.77Å; Y206-R238 HydrophobicContact CD1-CG 4.11Å; Y206-R238 HydrophobicContact CD2-CB 3.99Å; Y206-R238 HydrophobicContact CE1-CB 3.69Å; Y206-R238 HydrophobicContact CE1-CG 4.21Å; Y206-R238 HydrophobicContact CE2-CB 3.92Å; Y206-R238 HydrophobicContact CG-CB 3.92Å; Y234-R238 PolarHBondContact O-N 3.05Å; A235-R238 PolarHBondContact O-N 3.43Å; T236-R238 VanDerWaalsContact C-N 3.33Å
239	D	96.6	Very high	97.3	Very high	14 Å²	14	33.3 Å²	33.3	8%	0.075	15%	0.151	C	C	.	.			trans	-86.5	119.5	179.8	177.9	29.7	0	0	0	111.5	S202 G203 Y206 A235 Y241 S242	S202-D239 WeakPolarHBondContact CB-OD2 3.39Å; S202-D239 PolarHBondContact OG-OD2 2.81Å; G203-D239 PolarHBondContact N-OD2 3.1Å; Y206-D239 HydrophobicContact CD2-CB 4.08Å; Y206-D239 HydrophobicContact CE2-CB 3.95Å; A235-D239 WeakPolarHBondContact O-CB 3.09Å; A235-D239 PolarHBondContact O-N 3.4Å; D239-Y241 PolarHBondContact O-N 3.29Å; D239-Y241 PolarHBondContact OD1-N 3.33Å; D239-S242 PolarHBondContact O-N 3.29Å; D239-S242 WeakPolarHBondContact OD2-CB 3.41Å; D239-S242 PolarHBondContact OD2-N 3.01Å; D239-S242 PolarHBondContact OD2-OG 3.36Å
240	S	94.1	Very high	97.3	Very high	83 Å²	83	31.7 Å²	31.7	58%	0.58	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-27.5	-178.7	52	0	0	0	0	113.6	R91	R91-S240 PolarHBondContact NH1-O 2.9Å
241	Y	94.3	Very high	97.4	Very high	84 Å²	84	27 Å²	27	33%	0.329	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-5.5	-176	-59.1	-70.8	0	0	0	113.9	R91 G95 D239	R91-Y241 WeakPolarHBondContact CD-O 3.28Å; G95-Y241 WeakPolarHBondContact O-CE1 3.45Å; D239-Y241 PolarHBondContact O-N 3.29Å; D239-Y241 PolarHBondContact OD1-N 3.33Å
242	S	96.3	Very high	97.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.142	C	C	.	.			trans	-105.5	144.2	176.9	-63.1	0	0	0	0	111.2	T73 T74 D89 R91 D239	T73-S242 PolarHBondContact O-OG 3.3Å; T74-S242 PolarHBondContact N-OG 2.83Å; T74-S242 VanDerWaalsContact N-OG 3.14Å; T74-S242 WeakPolarHBondContact OG1-CB 3.44Å; T74-S242 PolarHBondContact OG1-OG 2.87Å; D89-S242 VanDerWaalsContact OD2-CA 3.31Å; D89-S242 WeakPolarHBondContact OD2-CA 3.35Å; R91-S242 PolarHBondContact NH1-O 3.4Å; D239-S242 PolarHBondContact O-N 3.29Å; D239-S242 WeakPolarHBondContact OD2-CB 3.41Å; D239-S242 PolarHBondContact OD2-N 3.01Å; D239-S242 PolarHBondContact OD2-OG 3.36Å
243	G	96.5	Very high	97.2	Very high	2 Å²	2	38.1 Å²	38.1	2%	0.021	18%	0.175	C	C	.	.			trans	164.2	-159.7	175.3	0	0	0	0	0	114.9	D89 S90 R91	D89-G243 PolarHBondContact OD2-N 2.97Å; S90-G243 PolarHBondContact N-O 3.28Å; R91-G243 PolarHBondContact N-O 2.93Å
244	G	97	Very high	97.1	Very high	10 Å²	10	44 Å²	44	10%	0.103	21%	0.206	C	C	.	.	S	Bend	trans	85.9	-116.3	-179.2	0	0	0	0	0	111.7	V264	G244-V264 VanDerWaalsContact O-CB 3.24Å; G244-V264 WeakPolarHBondContact O-CB 3.3Å; G244-V264 WeakPolarHBondContact O-CG2 3.44Å; G244-V264 PolarHBondContact O-N 3.49Å
245	V	98	Very high	97	Very high	4 Å²	4	40.6 Å²	40.6	2%	0.024	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	148.7	179.3	-55.4	0	0	0	0	110.7	D89 S90 R102 S262	D89-V245 CarbonylContact C-O 3.58Å; S90-V245 PolarHBondContact N-O 2.77Å; S90-V245 WeakPolarHBondContact OG-CG2 3.49Å; S90-V245 PolarHBondContact OG-N 3.15Å; R102-V245 HydrophobicContact CG-CG1 4.3Å; V245-S262 CarbonylContact C-O 3.56Å; V245-S262 VanDerWaalsContact CA-O 3.23Å; V245-S262 WeakPolarHBondContact CA-O 3.2Å; V245-S262 WeakPolarHBondContact CB-O 3.29Å
246	V	98.2	Very high	97.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	113.7	166.9	-174	0	0	0	0	107.8	V88 I232 V233 S261 S262 V264 L267	V88-V246 WeakPolarHBondContact O-CA 3.2Å; I232-V246 HydrophobicContact CB-CG1 4.17Å; I232-V246 HydrophobicContact CB-CG2 4.23Å; I232-V246 HydrophobicContact CG1-CG1 4.4Å; I232-V246 HydrophobicContact CG2-CB 4.44Å; I232-V246 HydrophobicContact CG2-CG1 4.19Å; I232-V246 HydrophobicContact CG2-CG2 3.75Å; V233-V246 HydrophobicContact CG2-CG2 3.96Å; V246-S261 CarbonylContact O-C 3.49Å; V246-S261 VanDerWaalsContact O-CA 3.28Å; V246-S261 WeakPolarHBondContact O-CA 3.47Å; V246-S262 PolarHBondContact N-O 3.35Å; V246-S262 PolarHBondContact O-N 3.06Å; V246-V264 HydrophobicContact CG2-CG2 3.7Å; V246-L267 HydrophobicContact CG2-CD1 4.03Å
247	N	98.2	Very high	97.1	Very high	7 Å²	7	45.2 Å²	45.2	4%	0.037	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	123.4	167.7	-69.2	-65	0	0	0	108.8	A87 V88 Y249 S261	A87-N247 WeakPolarHBondContact CA-O 3.33Å; V88-N247 HydrophobicContact CG2-CB 3.87Å; V88-N247 PolarHBondContact N-O 2.81Å; V88-N247 PolarHBondContact O-N 2.72Å; N247-Y249 HydrophobicContact CB-CE2 4.42Å; N247-S261 WeakPolarHBondContact OD1-CB 3.5Å; N247-S261 PolarHBondContact OD1-OG 3.05Å
248	M	98.4	Very high	97.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	137	-179.5	-174.7	164	52.9	0	0	111.5	I85 V86 A87 Y225 A228 V259 E260	I85-M248 HydrophobicContact CG2-CG 4.03Å; I85-M248 HydrophobicContact CG2-SD 3.86Å; V86-M248 CarbonylContact O-C 3.48Å; V86-M248 WeakPolarHBondContact O-CA 3.45Å; A87-M248 HydrophobicContact CB-CB 4.48Å; A87-M248 HydrophobicContact CB-CG 4.35Å; Y225-M248 HydrophobicContact CD1-CE 4.12Å; Y225-M248 HydrophobicContact CD1-SD 4.21Å; Y225-M248 HydrophobicContact CG-CE 3.97Å; A228-M248 HydrophobicContact CB-SD 3.75Å; M248-V259 HydrophobicContact CB-CB 4.41Å; M248-V259 HydrophobicContact CE-CB 4.28Å; M248-V259 HydrophobicContact CE-CG1 3.87Å; M248-V259 HydrophobicContact CG-CB 4.32Å; M248-V259 PolarHBondContact O-N 3.08Å; M248-E260 HydrophobicContact CB-CG 3.87Å; M248-E260 HydrophobicContact CE-CG 3.73Å; M248-E260 PolarHBondContact N-O 2.86Å; M248-E260 VanDerWaalsContact N-O 3.11Å; M248-E260 PolarHBondContact O-N 2.91Å
249	Y	98.7	Very high	97.2	Very high	1 Å²	1	39.6 Å²	39.6	0%	0.004	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	146.2	178.3	-71.4	-108.6	0	0	0	109.4	V86 V106 E108 L114 N247 W256 V257 K258	V86-Y249 PolarHBondContact N-O 3.08Å; V86-Y249 PolarHBondContact O-N 3.33Å; V106-Y249 HydrophobicContact CB-CD2 4Å; V106-Y249 HydrophobicContact CB-CE2 3.72Å; V106-Y249 HydrophobicContact CG1-CD1 4.44Å; V106-Y249 HydrophobicContact CG1-CD2 3.96Å; V106-Y249 HydrophobicContact CG1-CE1 4.42Å; V106-Y249 HydrophobicContact CG1-CE2 3.96Å; V106-Y249 HydrophobicContact CG1-CG 4.23Å; V106-Y249 HydrophobicContact CG2-CD2 3.79Å; V106-Y249 HydrophobicContact CG2-CE2 3.88Å; E108-Y249 HydrophobicContact CG-CE1 4.32Å; E108-Y249 WeakPolarHBondContact OE1-CE1 3.48Å; E108-Y249 PolarHBondContact OE1-OH 3.35Å; L114-Y249 HydrophobicContact CD1-CD1 3.97Å; L114-Y249 HydrophobicContact CD1-CG 4.03Å; L114-Y249 HydrophobicContact CD2-CD1 4.36Å; N247-Y249 HydrophobicContact CB-CE2 4.42Å; Y249-W256 HydrophobicContact CD1-CD2 4.2Å; Y249-W256 AromaticContact CD1-CE3 3.55Å; Y249-W256 HydrophobicContact CD1-CE3 3.55Å; Y249-W256 AromaticContact CD1-CZ3 3.96Å; Y249-W256 HydrophobicContact CD1-CZ3 3.96Å; Y249-W256 HydrophobicContact CE1-CD2 4.43Å; Y249-W256 AromaticContact CE1-CE3 3.67Å; Y249-W256 HydrophobicContact CE1-CE3 3.67Å; Y249-W256 HydrophobicContact CE1-CH2 4.26Å; Y249-W256 AromaticContact CE1-CZ3 3.57Å; Y249-W256 HydrophobicContact CE1-CZ3 3.57Å; Y249-V257 WeakPolarHBondContact CA-O 3.34Å; Y249-K258 HydrophobicContact CD1-CB 4.15Å; Y249-K258 HydrophobicContact CD1-CG 4.48Å; Y249-K258 HydrophobicContact CE1-CB 3.9Å; Y249-K258 HydrophobicContact CE1-CD 4.35Å; Y249-K258 HydrophobicContact CE1-CG 4.1Å; Y249-K258 HydrophobicContact CE2-CD 4.37Å; Y249-K258 HydrophobicContact CE2-CG 4.18Å
250	H	98.6	Very high	97.1	Very high	3 Å²	3	40.4 Å²	40.4	1%	0.014	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	113.3	175	178.8	-178.4	0	0	0	108.8	F80 H82 I85 Y225 K252 W256 V257 V259	F80-H250 AromaticContact CE1-NE2 3.78Å; F80-H250 AromaticContact CZ-CE1 3.87Å; F80-H250 AromaticContact CZ-NE2 3.62Å; H82-H250 PolarHBondContact O-NE2 2.83Å; I85-H250 HydrophobicContact CD1-CB 3.96Å; Y225-H250 HydrophobicContact CE1-CB 4.04Å; Y225-H250 AromaticContact CE1-ND1 3.58Å; Y225-H250 AromaticContact CZ-ND1 3.62Å; Y225-H250 PolarHBondContact OH-ND1 3.03Å; H250-K252 WeakPolarHBondContact ND1-CE 3.41Å; H250-W256 CarbonylContact O-C 3.6Å; H250-W256 WeakPolarHBondContact O-CA 3.41Å; H250-V257 HydrophobicContact CB-CG2 3.93Å; H250-V257 PolarHBondContact N-O 2.91Å; H250-V257 PolarHBondContact O-N 3.49Å; H250-V259 HydrophobicContact CB-CG2 3.59Å
251	M	98.4	Very high	97.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	113.8	172.4	-174.8	61.1	65.6	0	0	110.3	G83 V84 L114 C174 W176 W256	G83-M251 WeakPolarHBondContact CA-O 3.3Å; V84-M251 HydrophobicContact CB-CB 3.97Å; V84-M251 HydrophobicContact CG2-CB 4.43Å; V84-M251 PolarHBondContact N-O 3.2Å; V84-M251 VanDerWaalsContact N-O 3.11Å; V84-M251 PolarHBondContact O-N 3.3Å; L114-M251 HydrophobicContact CB-CE 4.35Å; L114-M251 HydrophobicContact CD1-CE 4Å; L114-M251 HydrophobicContact CG-CE 3.73Å; C174-M251 VanDerWaalsContact SG-CE 3.6Å; W176-M251 HydrophobicContact CB-CG 4.38Å; M251-W256 HydrophobicContact CE-CB 3.7Å; M251-W256 HydrophobicContact CE-CG 4.25Å; M251-W256 HydrophobicContact SD-CB 4.07Å
252	K	97.8	Very high	97.4	Very high	74 Å²	74	37 Å²	37	32%	0.322	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	176.8	174.9	-61.5	-179.6	-178.6	-179.8	0	110.4	H250 D254 G255	H250-K252 WeakPolarHBondContact ND1-CE 3.41Å; K252-D254 VanDerWaalsContact C-N 3.25Å; K252-D254 WeakPolarHBondContact CB-OD1 3.49Å; K252-D254 PolarHBondContact O-N 2.82Å; K252-G255 WeakPolarHBondContact CA-O 3.46Å; K252-G255 WeakPolarHBondContact CB-O 3.31Å; K252-G255 PolarHBondContact N-O 3.26Å; K252-G255 PolarHBondContact O-N 2.9Å
253	K	95.8	Very high	97.4	Very high	161 Å²	161	39.1 Å²	39.1	70%	0.7	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-32.7	179.3	-173.5	178.6	179.7	-176.1	0	113.1	W176	W176-K253 VanDerWaalsContact CD2-CA 3.49Å; W176-K253 HydrophobicContact CD2-CB 4.01Å; W176-K253 HydrophobicContact CE3-CB 4.38Å; W176-K253 VanDerWaalsContact CE3-N 3.33Å; W176-K253 HydrophobicContact CG-CB 4.43Å; W176-K253 HydrophobicContact CH2-CB 4.38Å; W176-K253 HydrophobicContact CZ2-CB 4.03Å; W176-K253 HydrophobicContact CZ2-CG 4.43Å
254	D	95.4	Very high	97.5	Very high	122 Å²	122	39.8 Å²	39.8	65%	0.652	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.6	2.4	-178.7	60	-36.2	0	0	0	113.8	Y112 K252	Y112-D254 WeakPolarHBondContact CE1-O 3.39Å; K252-D254 VanDerWaalsContact C-N 3.25Å; K252-D254 WeakPolarHBondContact CB-OD1 3.49Å; K252-D254 PolarHBondContact O-N 2.82Å
255	G	96.5	Very high	97.4	Very high	6 Å²	6	42.1 Å²	42.1	6%	0.062	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	127.5	-177.1	179.9	0	0	0	0	0	112.2	P111 K252	P111-G255 CarbonylContact O-C 3.6Å; P111-G255 WeakPolarHBondContact O-CA 3.49Å; K252-G255 WeakPolarHBondContact CA-O 3.46Å; K252-G255 WeakPolarHBondContact CB-O 3.31Å; K252-G255 PolarHBondContact N-O 3.26Å; K252-G255 PolarHBondContact O-N 2.9Å
256	W	98.3	Very high	97.4	Very high	58 Å²	58	47.3 Å²	47.3	22%	0.22	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	150.3	175.4	58.5	-98.7	0	0	0	112.1	E108 N110 P111 L114 Y249 H250 M251 K258	E108-W256 HydrophobicContact CB-CH2 4.45Å; E108-W256 HydrophobicContact CB-CZ2 3.78Å; E108-W256 VanDerWaalsContact CD-CZ2 3.45Å; E108-W256 HydrophobicContact CG-CH2 3.75Å; E108-W256 HydrophobicContact CG-CZ2 3.5Å; E108-W256 VanDerWaalsContact CG-CZ2 3.5Å; E108-W256 WeakPolarHBondContact OE1-CH2 3.47Å; E108-W256 VanDerWaalsContact OE2-CH2 3.25Å; E108-W256 WeakPolarHBondContact OE2-CH2 3.28Å; E108-W256 WeakPolarHBondContact OE2-CZ2 3.32Å; N110-W256 PolarHBondContact O-NE1 3.23Å; P111-W256 VanDerWaalsContact C-CD1 3.41Å; P111-W256 PolarHBondContact O-N 3.38Å; P111-W256 VanDerWaalsContact O-N 3.08Å; L114-W256 HydrophobicContact CD1-CB 3.78Å; L114-W256 HydrophobicContact CD1-CG 4Å; L114-W256 HydrophobicContact CD2-CB 4.37Å; L114-W256 VanDerWaalsContact CD2-CD1 3.49Å; L114-W256 HydrophobicContact CD2-CD2 3.85Å; L114-W256 HydrophobicContact CD2-CG 3.66Å; L114-W256 HydrophobicContact CG-CB 4.1Å; L114-W256 HydrophobicContact CG-CG 3.87Å; Y249-W256 HydrophobicContact CD1-CD2 4.2Å; Y249-W256 AromaticContact CD1-CE3 3.55Å; Y249-W256 HydrophobicContact CD1-CE3 3.55Å; Y249-W256 AromaticContact CD1-CZ3 3.96Å; Y249-W256 HydrophobicContact CD1-CZ3 3.96Å; Y249-W256 HydrophobicContact CE1-CD2 4.43Å; Y249-W256 AromaticContact CE1-CE3 3.67Å; Y249-W256 HydrophobicContact CE1-CE3 3.67Å; Y249-W256 HydrophobicContact CE1-CH2 4.26Å; Y249-W256 AromaticContact CE1-CZ3 3.57Å; Y249-W256 HydrophobicContact CE1-CZ3 3.57Å; H250-W256 CarbonylContact O-C 3.6Å; H250-W256 WeakPolarHBondContact O-CA 3.41Å; M251-W256 HydrophobicContact CE-CB 3.7Å; M251-W256 HydrophobicContact CE-CG 4.25Å; M251-W256 HydrophobicContact SD-CB 4.07Å; W256-K258 HydrophobicContact CZ3-CB 4.48Å
257	V	98.1	Very high	97.3	Very high	55 Å²	55	48.1 Å²	48.1	33%	0.333	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	138.6	167.9	-61.9	0	0	0	0	109.4	Y249 H250 V259	Y249-V257 WeakPolarHBondContact CA-O 3.34Å; H250-V257 HydrophobicContact CB-CG2 3.93Å; H250-V257 PolarHBondContact N-O 2.91Å; H250-V257 PolarHBondContact O-N 3.49Å; V257-V259 HydrophobicContact CG2-CG2 4.44Å; V257-V259 PolarHBondContact O-N 3.26Å
258	K	97.9	Very high	97.2	Very high	99 Å²	99	49 Å²	49	43%	0.43	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	118.1	169.2	-171.5	172.2	-173.6	169.5	0	108	Y249 W256	Y249-K258 HydrophobicContact CD1-CB 4.15Å; Y249-K258 HydrophobicContact CD1-CG 4.48Å; Y249-K258 HydrophobicContact CE1-CB 3.9Å; Y249-K258 HydrophobicContact CE1-CD 4.35Å; Y249-K258 HydrophobicContact CE1-CG 4.1Å; Y249-K258 HydrophobicContact CE2-CD 4.37Å; Y249-K258 HydrophobicContact CE2-CG 4.18Å; W256-K258 HydrophobicContact CZ3-CB 4.48Å
259	V	97.7	Very high	97.1	Very high	48 Å²	48	53.9 Å²	53.9	29%	0.291	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-51.6	-174.7	-178.9	0	0	0	0	110.2	Y225 M248 H250 V257	Y225-V259 HydrophobicContact CD1-CG1 4.27Å; Y225-V259 HydrophobicContact CD1-CG2 4.44Å; Y225-V259 HydrophobicContact CD2-CG1 4.04Å; Y225-V259 HydrophobicContact CE1-CG1 4.29Å; Y225-V259 HydrophobicContact CE1-CG2 3.93Å; Y225-V259 HydrophobicContact CE2-CG1 4.06Å; Y225-V259 HydrophobicContact CG-CG1 4.16Å; M248-V259 HydrophobicContact CB-CB 4.41Å; M248-V259 HydrophobicContact CE-CB 4.28Å; M248-V259 HydrophobicContact CE-CG1 3.87Å; M248-V259 HydrophobicContact CG-CB 4.32Å; M248-V259 PolarHBondContact O-N 3.08Å; H250-V259 HydrophobicContact CB-CG2 3.59Å; V257-V259 HydrophobicContact CG2-CG2 4.44Å; V257-V259 PolarHBondContact O-N 3.26Å
260	E	94.8	Very high	96.9	Very high	32 Å²	32	60.3 Å²	60.3	15%	0.15	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	165.7	-177.2	63.3	178.7	-147	0	0	113.2	R229 M248	R229-E260 IonicContact CZ-OE1 3.71Å; R229-E260 IonicContact CZ-OE2 3.34Å; R229-E260 VanDerWaalsContact NE-CD 3.35Å; R229-E260 IonicContact NE-OE1 2.8Å; R229-E260 PolarHBondContact NE-OE1 3.43Å; R229-E260 IonicContact NE-OE2 3.09Å; R229-E260 PolarHBondContact NE-OE2 2.98Å; R229-E260 VanDerWaalsContact NE-OE2 3.09Å; R229-E260 IonicContact NH2-OE1 2.61Å; R229-E260 IonicContact NH2-OE2 2.72Å; R229-E260 PolarHBondContact NH2-OE2 3.02Å; M248-E260 HydrophobicContact CB-CG 3.87Å; M248-E260 HydrophobicContact CE-CG 3.73Å; M248-E260 PolarHBondContact N-O 2.86Å; M248-E260 VanDerWaalsContact N-O 3.11Å; M248-E260 PolarHBondContact O-N 2.91Å
261	S	97.1	Very high	96.7	Very high	65 Å²	65	61 Å²	61	46%	0.455	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	83	169.4	-164.6	0	0	0	0	107.3	V246 N247	V246-S261 CarbonylContact O-C 3.49Å; V246-S261 VanDerWaalsContact O-CA 3.28Å; V246-S261 WeakPolarHBondContact O-CA 3.47Å; N247-S261 WeakPolarHBondContact OD1-CB 3.5Å; N247-S261 PolarHBondContact OD1-OG 3.05Å
262	S	97	Very high	96.4	Very high	31 Å²	31	67.1 Å²	67.1	22%	0.217	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	138.1	-167.3	-61.7	0	0	0	0	111	V245 V246 V264	V245-S262 CarbonylContact C-O 3.56Å; V245-S262 VanDerWaalsContact CA-O 3.23Å; V245-S262 WeakPolarHBondContact CA-O 3.2Å; V245-S262 WeakPolarHBondContact CB-O 3.29Å; V246-S262 PolarHBondContact N-O 3.35Å; V246-S262 PolarHBondContact O-N 3.06Å; S262-V264 PolarHBondContact O-N 2.85Å
263	D	98	Very high	96.2	Very high	44 Å²	44	70.3 Å²	70.3	24%	0.235	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	131.4	178.7	-161.7	-77.7	0	0	0	111.3	R102 S265 D266 L267	R102-D263 IonicContact NH2-OD2 3.6Å; D263-S265 VanDerWaalsContact C-N 3.26Å; D263-S265 PolarHBondContact O-N 2.67Å; D263-S265 WeakPolarHBondContact OD1-CB 3.14Å; D263-S265 PolarHBondContact OD1-N 3.2Å; D263-D266 HydrophobicContact CB-CB 4.39Å; D263-D266 PolarHBondContact O-N 3.45Å; D263-L267 VanDerWaalsContact O-CG 3.31Å; D263-L267 WeakPolarHBondContact O-CG 3.35Å; D263-L267 PolarHBondContact O-N 3.24Å
264	V	97.1	Very high	95.7	Very high	15 Å²	15	66.6 Å²	66.6	9%	0.091	35%	0.35	C	S	.	.	H	α-helix	trans	-62.8	-36.2	-179.1	166.6	0	0	0	0	111.1	T236 G244 V246 S262 L267 L268	T236-V264 HydrophobicContact CG2-CG2 4.3Å; T236-V264 WeakPolarHBondContact OG1-CG1 3.41Å; G244-V264 VanDerWaalsContact O-CB 3.24Å; G244-V264 WeakPolarHBondContact O-CB 3.3Å; G244-V264 WeakPolarHBondContact O-CG2 3.44Å; G244-V264 PolarHBondContact O-N 3.49Å; V246-V264 HydrophobicContact CG2-CG2 3.7Å; S262-V264 PolarHBondContact O-N 2.85Å; V264-L267 PolarHBondContact O-N 2.95Å; V264-L268 WeakPolarHBondContact O-CB 3.45Å; V264-L268 PolarHBondContact O-N 3.43Å
265	S	96.4	Very high	94.8	Very high	60 Å²	60	66.4 Å²	66.4	42%	0.42	35%	0.353	S	S	.	.	H	α-helix	trans	-63.7	-49.4	-177.9	-165.4	0	0	0	0	110.4	D263 L267 L268 H269	D263-S265 VanDerWaalsContact C-N 3.26Å; D263-S265 PolarHBondContact O-N 2.67Å; D263-S265 WeakPolarHBondContact OD1-CB 3.14Å; D263-S265 PolarHBondContact OD1-N 3.2Å; S265-L267 VanDerWaalsContact C-N 3.31Å; S265-L267 PolarHBondContact O-N 3.34Å; S265-L268 PolarHBondContact O-N 2.94Å; S265-H269 PolarHBondContact O-CD2 3.06Å; S265-H269 PolarHBondContact O-N 3.21Å
266	D	97.3	Very high	92.7	Very high	113 Å²	113	76 Å²	76	60%	0.604	40%	0.402	S	S	*	.	H	α-helix	trans	-59.9	-43.3	179	-63	-18.4	0	0	0	111.3	D263 H269 K270	D263-D266 HydrophobicContact CB-CB 4.39Å; D263-D266 PolarHBondContact O-N 3.45Å; D266-H269 PolarHBondContact O-N 3.44Å; D266-K270 WeakPolarHBondContact O-CB 3.46Å; D266-K270 PolarHBondContact O-N 3.37Å
267	L	96.6	Very high	92.4	Very high	17 Å²	17	76.9 Å²	76.9	9%	0.089	41%	0.411	C	S	.	.	H	α-helix	trans	-64.1	-43.2	177.5	-68.5	174.6	0	0	0	112.3	R229 V233 V246 D263 V264 S265 K270 Y271	R229-L267 HydrophobicContact CG-CD1 3.64Å; R229-L267 HydrophobicContact CG-CD2 4.45Å; V233-L267 HydrophobicContact CG2-CB 3.81Å; V233-L267 HydrophobicContact CG2-CD1 3.69Å; V233-L267 HydrophobicContact CG2-CG 4.43Å; V246-L267 HydrophobicContact CG2-CD1 4.03Å; D263-L267 VanDerWaalsContact O-CG 3.31Å; D263-L267 WeakPolarHBondContact O-CG 3.35Å; D263-L267 PolarHBondContact O-N 3.24Å; V264-L267 PolarHBondContact O-N 2.95Å; S265-L267 VanDerWaalsContact C-N 3.31Å; S265-L267 PolarHBondContact O-N 3.34Å; L267-K270 PolarHBondContact O-N 3.23Å; L267-Y271 HydrophobicContact CB-CE2 4.16Å; L267-Y271 WeakPolarHBondContact O-CD2 3.28Å; L267-Y271 PolarHBondContact O-N 3.3Å
268	L	95.1	Very high	92.1	Very high	26 Å²	26	78 Å²	78	14%	0.136	42%	0.415	C	S	.	.	H	α-helix	trans	-66.4	-40.5	179.5	-171.3	68.5	0	0	0	111.6	V233 H237 V264 S265 Y271 R272	V233-L268 HydrophobicContact CG1-CB 4.12Å; V233-L268 HydrophobicContact CG1-CD1 3.92Å; H237-L268 HydrophobicContact CB-CD1 4.45Å; V264-L268 WeakPolarHBondContact O-CB 3.45Å; V264-L268 PolarHBondContact O-N 3.43Å; S265-L268 PolarHBondContact O-N 2.94Å; L268-Y271 PolarHBondContact O-N 2.89Å; L268-R272 WeakPolarHBondContact O-CG 3.29Å; L268-R272 PolarHBondContact O-N 3.24Å
269	H	95.7	Very high	91.8	Very high	101 Å²	101	76.8 Å²	76.8	47%	0.468	41%	0.414	S	S	.	.	H	α-helix	trans	-61.1	-48	173.6	-79	-67.8	0	0	0	111.4	S265 D266 Y271 R272 E273	S265-H269 PolarHBondContact O-CD2 3.06Å; S265-H269 PolarHBondContact O-N 3.21Å; D266-H269 PolarHBondContact O-N 3.44Å; H269-Y271 VanDerWaalsContact C-N 3.31Å; H269-Y271 PolarHBondContact O-N 2.94Å; H269-R272 PolarHBondContact O-N 3.38Å; H269-R272 VanDerWaalsContact O-N 3.15Å; H269-E273 PolarHBondContact O-N 3.08Å
270	K	95.6	Very high	91.4	Very high	136 Å²	136	78.5 Å²	78.5	59%	0.591	42%	0.421	S	S	*	.	H	α-helix	trans	-55.4	-43.5	175.5	-178.1	-178.1	178.3	-177.7	0	112.6	D266 L267 A274	D266-K270 WeakPolarHBondContact O-CB 3.46Å; D266-K270 PolarHBondContact O-N 3.37Å; L267-K270 PolarHBondContact O-N 3.23Å; K270-A274 WeakPolarHBondContact O-CB 3.21Å; K270-A274 PolarHBondContact O-N 3.4Å; K270-A274 VanDerWaalsContact O-N 3.16Å
271	Y	94.4	Very high	91.2	Very high	18 Å²	18	81.4 Å²	81.4	7%	0.071	44%	0.438	C	S	.	.	H	α-helix	trans	-71.2	-34.2	179.3	-61.4	-35.4	0	0	0	113.3	R229 R230 V233 L267 L268 H269 T275	R229-Y271 WeakPolarHBondContact CD-OH 3.37Å; R230-Y271 HydrophobicContact CG-CE1 4.4Å; R230-Y271 HydrophobicContact CG-CE2 4.05Å; V233-Y271 HydrophobicContact CB-CE2 4.18Å; V233-Y271 HydrophobicContact CG1-CD2 4.04Å; V233-Y271 HydrophobicContact CG1-CE2 3.99Å; V233-Y271 HydrophobicContact CG2-CE2 4.22Å; L267-Y271 HydrophobicContact CB-CE2 4.16Å; L267-Y271 WeakPolarHBondContact O-CD2 3.28Å; L267-Y271 PolarHBondContact O-N 3.3Å; L268-Y271 PolarHBondContact O-N 2.89Å; H269-Y271 VanDerWaalsContact C-N 3.31Å; H269-Y271 PolarHBondContact O-N 2.94Å; Y271-T275 PolarHBondContact O-N 2.74Å; Y271-T275 PolarHBondContact O-OG1 3.39Å
272	R	92.4	Very high	90.8	Very high	129 Å²	129	82.5 Å²	82.5	49%	0.487	44%	0.437	S	S	.	.	H	α-helix	trans	-65.1	-45.4	175.1	-77	178.3	176.2	-170.5	-1.4	111.4	H237 L268 H269 A274 T275 L276	H237-R272 PolarHBondContact CE1-NH2 3.34Å; H237-R272 VanDerWaalsContact CE1-NH2 3.25Å; H237-R272 PolarHBondContact NE2-NH2 3.27Å; L268-R272 WeakPolarHBondContact O-CG 3.29Å; L268-R272 PolarHBondContact O-N 3.24Å; H269-R272 PolarHBondContact O-N 3.38Å; H269-R272 VanDerWaalsContact O-N 3.15Å; R272-A274 VanDerWaalsContact C-N 3.33Å; R272-A274 PolarHBondContact O-N 3.37Å; R272-T275 PolarHBondContact O-N 3.33Å; R272-L276 PolarHBondContact O-N 2.79Å
273	E	92.4	Very high	90.4	Very high	140 Å²	140	86.2 Å²	86.2	65%	0.654	45%	0.453	S	S	*	.	H	α-helix	trans	-63.8	-36.7	178.1	-71.2	175.1	-172.7	0	0	112.6	H269 T275 L276	H269-E273 PolarHBondContact O-N 3.08Å; E273-T275 VanDerWaalsContact C-N 3.26Å; E273-T275 PolarHBondContact O-N 2.94Å; E273-L276 PolarHBondContact O-N 2.95Å
274	A	86.7	Confident	89.8	Confident	84 Å²	84	89.5 Å²	89.5	69%	0.694	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-13.4	178.5	0	0	0	0	0	114.7	K270 R272	K270-A274 WeakPolarHBondContact O-CB 3.21Å; K270-A274 PolarHBondContact O-N 3.4Å; K270-A274 VanDerWaalsContact O-N 3.16Å; R272-A274 VanDerWaalsContact C-N 3.33Å; R272-A274 PolarHBondContact O-N 3.37Å
275	T	75.4	Confident	89.2	Confident	118 Å²	118	95.7 Å²	95.7	72%	0.724	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-12.5	179.8	-47.1	0	0	0	0	112.1	Y271 R272 E273	Y271-T275 PolarHBondContact O-N 2.74Å; Y271-T275 PolarHBondContact O-OG1 3.39Å; R272-T275 PolarHBondContact O-N 3.33Å; E273-T275 VanDerWaalsContact C-N 3.26Å; E273-T275 PolarHBondContact O-N 2.94Å
276	L	52.1	Low	88.5	Confident	206 Å²	206	98.9 Å²	98.9	100%	1.079	51%	0.509	S	S	*	.			trans	-86	0	173.2	-70.8	169.1	0	0	0	110.5	R272 E273	R272-L276 PolarHBondContact O-N 2.79Å; E273-L276 PolarHBondContact O-N 2.95Å

Retrieved 276 of 276 residues in 252 ms (Link to these results)

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