X5D2R7_HUMAN 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 X5D2R7, Species HUMAN (Homo sapiens, Human), 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	50.2	Low	44.3	Very low	215 Å²	215	129.4 Å²	129.4	100%	1.059	75%	0.753	S	S	*	*				0	-29.9	0	-72.2	-58.2	-161.1	0	0	113.6	L3	M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 3.48Å
2	A	45.8	Very low	43.7	Very low	88 Å²	88	124.3 Å²	124.3	73%	0.727	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	-11	-178.1	0	0	0	0	0	116.6
3	L	39.4	Very low	43.3	Very low	141 Å²	141	130.3 Å²	130.3	74%	0.738	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-16.8	-171.1	-140.3	129.1	0	0	0	113.8	M1	M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 3.48Å
4	L	42.7	Very low	42.5	Very low	127 Å²	127	138.1 Å²	138.1	67%	0.665	77%	0.774	S	S	*	*	S	Bend	trans	-83.6	-25.8	-179.9	-95.6	120.8	0	0	0	113.1
5	D	40.7	Very low	41.7	Very low	132 Å²	132	137 Å²	137	71%	0.706	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	-20.7	177.9	-79.4	-20.1	0	0	0	113.2
6	V	49.2	Very low	41.3	Very low	124 Å²	124	141.1 Å²	141.1	75%	0.752	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-22.1	179.4	-177.3	0	0	0	0	112.1
7	C	45.2	Very low	40.6	Very low	93 Å²	93	139.6 Å²	139.6	63%	0.628	79%	0.787	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.9	4.6	-169.1	-62.1	0	0	0	0	114.9	A9	C7-A9 VanDerWaalsContact C-N 3.26Å; C7-A9 PolarHBondContact O-N 3.41Å; C7-A9 VanDerWaalsContact O-N 3.12Å
8	G	44.8	Very low	40	Very low	71 Å²	71	137.3 Å²	137.3	73%	0.732	79%	0.788	S	S	*	*	T	Hydrogen-bonded Turn	trans	59.8	26.1	170.3	0	0	0	0	0	116.2
9	A	43.7	Very low	39.3	Very low	65 Å²	65	138.5 Å²	138.5	54%	0.537	79%	0.791	S	S	.	*			trans	-79.7	130.4	-178.4	0	0	0	0	0	111.8	C7	C7-A9 VanDerWaalsContact C-N 3.26Å; C7-A9 PolarHBondContact O-N 3.41Å; C7-A9 VanDerWaalsContact O-N 3.12Å
10	P	38.7	Very low	38.9	Very low	128 Å²	128	138 Å²	138	83%	0.831	79%	0.793	S	S	*	*			trans	-70.4	135	-179.5	25.4	-30.4	0	0	0	111.8	G12	P10-G12 PolarHBondContact O-N 2.75Å
11	R	47.3	Very low	38.6	Very low	239 Å²	239	137.6 Å²	137.6	90%	0.902	79%	0.793	S	S	*	*			trans	-74.5	85.5	175.7	-74.7	-175.1	179.3	-179	2.9	110.7
12	G	37.1	Very low	37.8	Very low	69 Å²	69	132 Å²	132	71%	0.711	78%	0.781	S	S	*	*			trans	-88.3	122.3	169.1	0	0	0	0	0	111.7	P10	P10-G12 PolarHBondContact O-N 2.75Å
13	Q	38.5	Very low	36.9	Very low	202 Å²	202	131.3 Å²	131.3	94%	0.944	78%	0.782	S	S	*	*			trans	-56.3	131.1	173.6	-70.5	170.6	-8.4	0	0	111.2
14	R	31.4	Very low	36.8	Very low	240 Å²	240	131 Å²	131	91%	0.906	79%	0.792	S	S	*	*			trans	-111.9	138.9	160.4	-88.9	-173.3	176.1	-178.8	-0.4	109.3
15	P	30.7	Very low	36.2	Very low	121 Å²	121	127.6 Å²	127.6	79%	0.786	79%	0.787	S	S	*	*			trans	-75	150.2	-175	21.6	-15.6	0	0	0	112	S17	P15-S17 PolarHBondContact O-N 2.82Å
16	E	36.3	Very low	36	Very low	203 Å²	203	133.9 Å²	133.9	95%	0.949	80%	0.801	S	S	*	*			trans	-54.8	116.5	174.1	-67.7	178.5	144	0	0	111.4
17	S	29.2	Very low	35.3	Very low	115 Å²	115	139.1 Å²	139.1	80%	0.804	81%	0.807	S	S	*	*			trans	-124.1	103.5	155	55.9	0	0	0	0	109.2	P15	P15-S17 PolarHBondContact O-N 2.82Å
18	A	29.4	Very low	35.2	Very low	98 Å²	98	140 Å²	140	81%	0.81	82%	0.815	S	S	*	*			trans	18.8	106.7	161.6	0	0	0	0	0	118.4
19	L	27.3	Very low	34.9	Very low	161 Å²	161	141.3 Å²	141.3	84%	0.843	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-71.8	128.7	155.9	-72	162.6	0	0	0	109.7
20	P	31.4	Very low	34.9	Very low	127 Å²	127	143.7 Å²	143.7	83%	0.825	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-79.3	117.6	154.4	19.5	-6.9	0	0	0	108.4
21	V	31.4	Very low	35	Very low	131 Å²	131	139.8 Å²	139.8	79%	0.794	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-77.6	134.6	173.5	169.2	0	0	0	0	110.2
22	A	33.2	Very low	34.5	Very low	98 Å²	98	135.5 Å²	135.5	81%	0.81	79%	0.788	S	S	*	*			trans	72.7	107.9	154.8	0	0	0	0	0	120.3
23	G	26.9	Very low	34.9	Very low	73 Å²	73	141.8 Å²	141.8	75%	0.753	79%	0.791	S	S	*	*			trans	-149.2	106	141.9	0	0	0	0	0	108.4	G25	G23-G25 PolarHBondContact O-N 2.97Å
24	S	37.5	Very low	34.7	Very low	135 Å²	135	135.6 Å²	135.6	94%	0.944	77%	0.771	S	S	*	*			trans	-62.1	96.7	177.9	52.2	0	0	0	0	110.9
25	G	29.8	Very low	35	Very low	55 Å²	55	134.8 Å²	134.8	57%	0.567	77%	0.774	S	S	*	*			trans	-145.6	112.9	164.1	0	0	0	0	0	107.9	G23 R27	G23-G25 PolarHBondContact O-N 2.97Å; G25-R27 PolarHBondContact O-N 3.38Å
26	R	36.6	Very low	35.5	Very low	263 Å²	263	133.9 Å²	133.9	99%	0.992	77%	0.77	S	S	*	*			trans	-63.1	82.4	164.1	-81.9	-178.2	171.1	-170.7	-1.5	108
27	R	35.2	Very low	35.7	Very low	234 Å²	234	130.3 Å²	130.3	88%	0.883	76%	0.755	S	S	*	*			trans	-94.2	104.3	162.3	-77.3	-175	174.1	-172.1	-1.1	106	G25 D29	G25-R27 PolarHBondContact O-N 3.38Å; R27-D29 PolarHBondContact O-N 3.46Å; R27-D29 VanDerWaalsContact O-N 3.08Å
28	S	43.3	Very low	36.7	Very low	113 Å²	113	136.9 Å²	136.9	79%	0.79	76%	0.762	S	S	*	*			trans	-52.5	112.4	162.9	46.1	0	0	0	0	107.9	P30	S28-P30 VanDerWaalsContact O-CD 3.24Å; S28-P30 WeakPolarHBondContact O-CD 3.19Å
29	D	38.5	Very low	37.4	Very low	97 Å²	97	135.1 Å²	135.1	52%	0.519	74%	0.744	S	S	.	*			trans	-65.4	113.7	175.8	-177.4	5.4	0	0	0	109.1	R27 G31 R46	R27-D29 PolarHBondContact O-N 3.46Å; R27-D29 VanDerWaalsContact O-N 3.08Å; D29-G31 PolarHBondContact O-N 3.19Å; D29-G31 VanDerWaalsContact O-N 3.07Å; D29-G31 PolarHBondContact OD1-N 2.95Å; D29-R46 IonicContact OD1-CZ 3.01Å; D29-R46 IonicContact OD1-NH2 2.66Å; D29-R46 PolarHBondContact OD1-NH2 3.35Å
30	P	44	Very low	38.6	Very low	115 Å²	115	130.4 Å²	130.4	75%	0.747	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	20.3	-175.2	29.4	-26.1	0	0	0	112.7	S28	S28-P30 VanDerWaalsContact O-CD 3.24Å; S28-P30 WeakPolarHBondContact O-CD 3.19Å
31	G	40.4	Very low	39.9	Very low	46 Å²	46	129.8 Å²	129.8	47%	0.474	71%	0.709	S	S	.	*	T	Hydrogen-bonded Turn	trans	-116.1	-6.1	-175.9	0	0	0	0	0	114.3	D29	D29-G31 PolarHBondContact O-N 3.19Å; D29-G31 VanDerWaalsContact O-N 3.07Å; D29-G31 PolarHBondContact OD1-N 2.95Å
32	H	37.4	Very low	41.5	Very low	150 Å²	150	126.8 Å²	126.8	69%	0.694	69%	0.688	S	S	*	*			trans	-89.9	111	173.2	-118.2	-75.4	0	0	0	108.9	S34	H32-S34 PolarHBondContact O-N 3.07Å
33	Y	43.8	Very low	43	Very low	201 Å²	201	124.9 Å²	124.9	79%	0.788	67%	0.673	S	S	*	*			trans	-61.7	90	155.5	-91.3	-88.6	0	0	0	107.4	A43	Y33-A43 HydrophobicContact CE2-CB 4.37Å; Y33-A43 WeakPolarHBondContact OH-CB 3.48Å
34	S	36.2	Very low	44.6	Very low	72 Å²	72	125 Å²	125	50%	0.503	66%	0.655	S	S	.	*			trans	-85	120.5	164.1	178.5	0	0	0	0	106.7	H32 S36	H32-S34 PolarHBondContact O-N 3.07Å; S34-S36 PolarHBondContact O-N 2.87Å
35	F	37	Very low	45.7	Very low	223 Å²	223	122.6 Å²	122.6	98%	0.978	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	7.2	174.6	-150.1	-93.9	0	0	0	113.2
36	S	40	Very low	46.8	Very low	101 Å²	101	128.2 Å²	128.2	71%	0.706	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.5	29.3	-171.9	-169.7	0	0	0	0	113.6	S34	S34-S36 PolarHBondContact O-N 2.87Å
37	M	41.2	Very low	48.2	Very low	129 Å²	129	120 Å²	120	64%	0.635	64%	0.638	S	S	*	*			trans	-75.2	134.7	162.7	-89.4	-165.5	174.4	0	0	110.8	S39	M37-S39 PolarHBondContact O-N 3.09Å
38	R	50.5	Low	49.5	Very low	253 Å²	253	113.5 Å²	113.5	96%	0.955	62%	0.619	S	S	*	*	S	Bend	trans	-67.3	-9.8	175.1	-75.6	-179.8	174.9	-177.2	-2.1	113.4
39	S	44.8	Very low	50.6	Low	61 Å²	61	114 Å²	114	43%	0.427	61%	0.606	S	S	.	*	S	Bend	trans	-144	131.3	-179.7	-50.8	0	0	0	0	109.6	M37 E41	M37-S39 PolarHBondContact O-N 3.09Å; S39-E41 PolarHBondContact O-N 2.6Å
40	P	52.5	Low	52	Low	62 Å²	62	110.7 Å²	110.7	40%	0.403	59%	0.59	S	S	.	*			trans	-73	116	172.3	27.9	-28.8	0	0	0	109.4	L130	P40-L130 HydrophobicContact CG-CD1 4.02Å; P40-L130 HydrophobicContact CG-CD2 4.19Å
41	E	57.8	Low	53.1	Low	113 Å²	113	107.7 Å²	107.7	53%	0.528	57%	0.57	S	S	.	*			trans	-95.9	136.5	169.9	-71.3	-177.1	171.5	0	0	109.6	S39 A43	S39-E41 PolarHBondContact O-N 2.6Å; E41-A43 PolarHBondContact O-N 2.95Å; E41-A43 VanDerWaalsContact O-N 3.13Å
42	L	65.3	Low	54.5	Low	69 Å²	69	110.1 Å²	110.1	36%	0.361	57%	0.569	S	S	.	*			trans	-61.2	112.7	166	-177	67.7	0	0	0	108.4	L44 Y162	L42-L44 HydrophobicContact CD2-CD2 4.05Å; L42-L44 HydrophobicContact CG-CD2 4.29Å; L42-L44 PolarHBondContact O-N 2.77Å; L42-L44 VanDerWaalsContact O-N 3.09Å; L42-Y162 HydrophobicContact CB-CE1 4.1Å; L42-Y162 PolarHBondContact N-OH 3.13Å
43	A	64.1	Low	56	Low	58 Å²	58	107.4 Å²	107.4	48%	0.479	56%	0.555	S	S	.	*			trans	-71.1	105.7	178.9	0	0	0	0	0	110	Y33 E41	Y33-A43 HydrophobicContact CE2-CB 4.37Å; Y33-A43 WeakPolarHBondContact OH-CB 3.48Å; E41-A43 PolarHBondContact O-N 2.95Å; E41-A43 VanDerWaalsContact O-N 3.13Å
44	L	60.6	Low	57	Low	74 Å²	74	101.8 Å²	101.8	39%	0.387	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-87.4	140.2	174.2	-62.9	174.7	0	0	0	110.2	L42 R46 P50	L42-L44 HydrophobicContact CD2-CD2 4.05Å; L42-L44 HydrophobicContact CG-CD2 4.29Å; L42-L44 PolarHBondContact O-N 2.77Å; L42-L44 VanDerWaalsContact O-N 3.09Å; L44-R46 PolarHBondContact O-N 2.89Å; L44-P50 HydrophobicContact CD1-CG 3.57Å; L44-P50 HydrophobicContact CD2-CG 3.61Å; L44-P50 HydrophobicContact CG-CG 4.16Å
45	P	59.8	Low	58.3	Low	86 Å²	86	104.5 Å²	104.5	56%	0.558	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-55.4	134.3	174	-22.9	32.2	0	0	0	111.8	G47 M48	P45-G47 PolarHBondContact O-N 3.03Å; P45-M48 HydrophobicContact CB-CB 4.46Å; P45-M48 PolarHBondContact O-N 2.88Å
46	R	54.8	Low	59.4	Low	173 Å²	173	98.2 Å²	98.2	65%	0.653	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	128.3	179.6	-70.7	-176.3	173.2	-168.5	-5.6	110.3	D29 L44	D29-R46 IonicContact OD1-CZ 3.01Å; D29-R46 IonicContact OD1-NH2 2.66Å; D29-R46 PolarHBondContact OD1-NH2 3.35Å; L44-R46 PolarHBondContact O-N 2.89Å
47	G	65.6	Low	60.4	Low	89 Å²	89	95.8 Å²	95.8	92%	0.918	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.3	-4.8	176.3	0	0	0	0	0	115.4	P45	P45-G47 PolarHBondContact O-N 3.03Å
48	M	62.5	Low	61	Low	99 Å²	99	91.4 Å²	91.4	49%	0.488	49%	0.49	S	S	.	.			trans	-107.9	113.2	175	-172.1	177.5	-74.6	0	0	109.5	P45 P50 F53	P45-M48 HydrophobicContact CB-CB 4.46Å; P45-M48 PolarHBondContact O-N 2.88Å; M48-P50 WeakPolarHBondContact O-CD 3.38Å; M48-F53 HydrophobicContact CE-CD2 4.47Å; M48-F53 HydrophobicContact CG-CB 4.25Å; M48-F53 HydrophobicContact SD-CB 4.4Å; M48-F53 HydrophobicContact SD-CD2 4.12Å; M48-F53 HydrophobicContact SD-CG 4.31Å
49	K	66.3	Low	61.2	Low	122 Å²	122	81.7 Å²	81.7	53%	0.53	47%	0.469	S	S	.	.			trans	-83	120.9	168.4	-72.6	172.5	-168.4	163.6	0	108.2	T51 E52 F53	K49-T51 PolarHBondContact O-N 3.49Å; K49-E52 HydrophobicContact CB-CB 4.1Å; K49-E52 HydrophobicContact CB-CG 4.03Å; K49-E52 VanDerWaalsContact CD-CD 3.45Å; K49-E52 HydrophobicContact CD-CG 4.11Å; K49-E52 WeakPolarHBondContact CD-OE1 3.18Å; K49-E52 IonicContact NZ-OE1 2.74Å; K49-E52 PolarHBondContact NZ-OE1 2.95Å; K49-E52 PolarHBondContact O-N 3.21Å; K49-F53 PolarHBondContact O-N 2.99Å
50	P	67.4	Low	61.4	Low	28 Å²	28	87.2 Å²	87.2	18%	0.182	49%	0.494	C	S	.	.	H	α-helix	trans	-54.2	-40.8	-180	-27.7	35.6	0	0	0	112.3	L44 M48 E52 F53 F54	L44-P50 HydrophobicContact CD1-CG 3.57Å; L44-P50 HydrophobicContact CD2-CG 3.61Å; L44-P50 HydrophobicContact CG-CG 4.16Å; M48-P50 WeakPolarHBondContact O-CD 3.38Å; P50-E52 PolarHBondContact O-N 2.92Å; P50-F53 WeakPolarHBondContact O-CB 3.44Å; P50-F53 PolarHBondContact O-N 3.49Å; P50-F54 HydrophobicContact CB-CD2 4.46Å; P50-F54 WeakPolarHBondContact O-CD2 3.4Å; P50-F54 PolarHBondContact O-N 3.33Å
51	T	67.2	Low	61.2	Low	52 Å²	52	87.3 Å²	87.3	32%	0.319	51%	0.505	S	S	.	.	H	α-helix	trans	-61.4	-41.1	178.3	-30.6	0	0	0	0	112.4	K49 Q55 G164	K49-T51 PolarHBondContact O-N 3.49Å; T51-Q55 WeakPolarHBondContact O-CB 3.47Å; T51-Q55 VanDerWaalsContact O-CG 3.22Å; T51-Q55 WeakPolarHBondContact O-CG 2.88Å; T51-Q55 PolarHBondContact O-N 2.8Å; T51-G164 PolarHBondContact OG1-O 3.25Å
52	E	69.7	Low	61	Low	98 Å²	98	91.8 Å²	91.8	46%	0.458	53%	0.527	S	S	.	.	H	α-helix	trans	-71.2	-36.7	176.6	-69.7	176.4	-175.5	0	0	111.5	K49 P50 Q55 S56	K49-E52 HydrophobicContact CB-CB 4.1Å; K49-E52 HydrophobicContact CB-CG 4.03Å; K49-E52 VanDerWaalsContact CD-CD 3.45Å; K49-E52 HydrophobicContact CD-CG 4.11Å; K49-E52 WeakPolarHBondContact CD-OE1 3.18Å; K49-E52 IonicContact NZ-OE1 2.74Å; K49-E52 PolarHBondContact NZ-OE1 2.95Å; K49-E52 PolarHBondContact O-N 3.21Å; P50-E52 PolarHBondContact O-N 2.92Å; E52-Q55 PolarHBondContact O-N 3.33Å; E52-S56 PolarHBondContact O-N 3.44Å
53	F	69.5	Low	60.3	Low	92 Å²	92	99.1 Å²	99.1	40%	0.404	55%	0.549	S	S	.	.	H	α-helix	trans	-62.2	-47.4	173.7	174.1	-98.6	0	0	0	111.4	M48 K49 P50 S56 L57	M48-F53 HydrophobicContact CE-CD2 4.47Å; M48-F53 HydrophobicContact CG-CB 4.25Å; M48-F53 HydrophobicContact SD-CB 4.4Å; M48-F53 HydrophobicContact SD-CD2 4.12Å; M48-F53 HydrophobicContact SD-CG 4.31Å; K49-F53 PolarHBondContact O-N 2.99Å; P50-F53 WeakPolarHBondContact O-CB 3.44Å; P50-F53 PolarHBondContact O-N 3.49Å; F53-S56 WeakPolarHBondContact O-CB 3.3Å; F53-S56 PolarHBondContact O-N 3.25Å; F53-S56 PolarHBondContact O-OG 2.86Å; F53-L57 HydrophobicContact CD1-CD1 4.02Å; F53-L57 HydrophobicContact CE1-CD1 3.5Å; F53-L57 VanDerWaalsContact CE1-CD1 3.5Å; F53-L57 HydrophobicContact CE2-CD1 4.2Å; F53-L57 HydrophobicContact CZ-CD1 3.61Å; F53-L57 PolarHBondContact O-N 2.86Å
54	F	63.7	Low	59.5	Low	83 Å²	83	104.6 Å²	104.6	36%	0.364	57%	0.571	S	S	.	*	H	α-helix	trans	-67.3	-35.9	175.8	-76.3	-63	0	0	0	112.3	P50 S56 L57 G58 M69	P50-F54 HydrophobicContact CB-CD2 4.46Å; P50-F54 WeakPolarHBondContact O-CD2 3.4Å; P50-F54 PolarHBondContact O-N 3.33Å; F54-S56 VanDerWaalsContact C-N 3.3Å; F54-S56 PolarHBondContact O-N 3.36Å; F54-L57 CarbonylContact O-C 3.59Å; F54-L57 WeakPolarHBondContact O-CA 3.41Å; F54-L57 PolarHBondContact O-N 2.89Å; F54-G58 PolarHBondContact O-N 3.14Å; F54-M69 HydrophobicContact CD1-CE 3.45Å; F54-M69 VanDerWaalsContact CD1-CE 3.45Å; F54-M69 HydrophobicContact CD2-CE 4.42Å; F54-M69 HydrophobicContact CE1-CE 3.23Å; F54-M69 HydrophobicContact CE2-CE 4.25Å; F54-M69 HydrophobicContact CG-CE 4.07Å; F54-M69 HydrophobicContact CZ-CE 3.68Å
55	Q	64.2	Low	58.9	Low	129 Å²	129	106.7 Å²	106.7	60%	0.603	59%	0.586	S	S	*	*	H	α-helix	trans	-61.8	-36.8	171.3	-80.9	173.4	-11.9	0	0	112.1	T51 E52 L57 G58	T51-Q55 WeakPolarHBondContact O-CB 3.47Å; T51-Q55 VanDerWaalsContact O-CG 3.22Å; T51-Q55 WeakPolarHBondContact O-CG 2.88Å; T51-Q55 PolarHBondContact O-N 2.8Å; E52-Q55 PolarHBondContact O-N 3.33Å; Q55-L57 PolarHBondContact O-N 3.03Å; Q55-L57 VanDerWaalsContact O-N 3.11Å; Q55-G58 CarbonylContact O-C 3.56Å; Q55-G58 PolarHBondContact O-N 2.82Å
56	S	59.5	Low	58.6	Low	91 Å²	91	108.9 Å²	108.9	64%	0.636	59%	0.589	S	S	*	*	H	α-helix	trans	-63.8	-17.1	174.5	80.2	0	0	0	0	113.5	E52 F53 F54	E52-S56 PolarHBondContact O-N 3.44Å; F53-S56 WeakPolarHBondContact O-CB 3.3Å; F53-S56 PolarHBondContact O-N 3.25Å; F53-S56 PolarHBondContact O-OG 2.86Å; F54-S56 VanDerWaalsContact C-N 3.3Å; F54-S56 PolarHBondContact O-N 3.36Å
57	L	61.5	Low	58.6	Low	51 Å²	51	104.8 Å²	104.8	27%	0.267	58%	0.579	S	S	.	*	H	α-helix	trans	-108.3	-5.8	178	-61.1	164	0	0	0	112.2	F53 F54 Q55 I67	F53-L57 HydrophobicContact CD1-CD1 4.02Å; F53-L57 HydrophobicContact CE1-CD1 3.5Å; F53-L57 VanDerWaalsContact CE1-CD1 3.5Å; F53-L57 HydrophobicContact CE2-CD1 4.2Å; F53-L57 HydrophobicContact CZ-CD1 3.61Å; F53-L57 PolarHBondContact O-N 2.86Å; F54-L57 CarbonylContact O-C 3.59Å; F54-L57 WeakPolarHBondContact O-CA 3.41Å; F54-L57 PolarHBondContact O-N 2.89Å; Q55-L57 PolarHBondContact O-N 3.03Å; Q55-L57 VanDerWaalsContact O-N 3.11Å; L57-I67 HydrophobicContact CB-CB 4.32Å; L57-I67 HydrophobicContact CB-CD1 4.23Å; L57-I67 HydrophobicContact CB-CG1 4.49Å; L57-I67 HydrophobicContact CD1-CD1 4.04Å; L57-I67 HydrophobicContact CD2-CD1 4.06Å; L57-I67 HydrophobicContact CG-CD1 4.33Å; L57-I67 PolarHBondContact O-N 3Å; L57-I67 VanDerWaalsContact O-N 3.09Å
58	G	53.7	Low	58	Low	36 Å²	36	107.5 Å²	107.5	37%	0.371	57%	0.568	S	S	.	*	S	Bend	trans	-117.9	105.2	-173.9	0	0	0	0	0	110.8	F54 Q55	F54-G58 PolarHBondContact O-N 3.14Å; Q55-G58 CarbonylContact O-C 3.56Å; Q55-G58 PolarHBondContact O-N 2.82Å
59	G	54	Low	57.6	Low	49 Å²	49	106.2 Å²	106.2	51%	0.505	56%	0.561	S	S	.	*	S	Bend	trans	20.7	91.2	166.4	0	0	0	0	0	119
60	D	50.3	Low	57	Low	178 Å²	178	102.1 Å²	102.1	95%	0.952	55%	0.55	S	S	*	*	S	Bend	trans	-171	41	141.7	-98.8	-11.9	0	0	0	112.3
61	G	48.6	Very low	56.8	Low	63 Å²	63	104 Å²	104	65%	0.649	56%	0.556	S	S	*	*	S	Bend	trans	-164.1	151.6	177	0	0	0	0	0	114.1	R63	G61-R63 PolarHBondContact O-N 3.29Å
62	E	53.1	Low	56.9	Low	208 Å²	208	101.7 Å²	101.7	97%	0.972	54%	0.544	S	S	*	.	S	Bend	trans	-55.1	20.1	-171.9	-62.5	171.8	143.7	0	0	117.5
63	R	50	Low	58	Low	223 Å²	223	97.6 Å²	97.6	84%	0.842	53%	0.525	S	S	*	.			trans	-104.2	115.1	177.9	-62.1	-176.6	-165.8	176.6	5.6	110.2	G61 V65	G61-R63 PolarHBondContact O-N 3.29Å; R63-V65 PolarHBondContact O-N 3.05Å
64	N	48.5	Very low	59.3	Low	173 Å²	173	93.2 Å²	93.2	93%	0.925	51%	0.506	S	S	*	.	S	Bend	trans	-61.5	16	-176.8	-87.5	-23.3	0	0	0	117.2
65	V	48.1	Very low	60.9	Low	117 Å²	117	89.2 Å²	89.2	71%	0.709	49%	0.488	S	S	*	.			trans	-120.6	91.7	176.8	-173.8	0	0	0	0	108.7	R63	R63-V65 PolarHBondContact O-N 3.05Å
66	Q	53.4	Low	62.6	Low	132 Å²	132	83.1 Å²	83.1	62%	0.617	46%	0.46	S	S	*	.			trans	-90	120.5	175.5	-64.3	177.1	-18.5	0	0	108.6	E68	Q66-E68 VanDerWaalsContact C-N 3.25Å; Q66-E68 PolarHBondContact O-N 2.83Å
67	I	53.4	Low	64.4	Low	87 Å²	87	78.8 Å²	78.8	45%	0.446	43%	0.429	S	S	.	.			trans	-91.5	73.8	166.7	-58.9	175.4	0	0	0	106.4	L57 M69	L57-I67 HydrophobicContact CB-CB 4.32Å; L57-I67 HydrophobicContact CB-CD1 4.23Å; L57-I67 HydrophobicContact CB-CG1 4.49Å; L57-I67 HydrophobicContact CD1-CD1 4.04Å; L57-I67 HydrophobicContact CD2-CD1 4.06Å; L57-I67 HydrophobicContact CG-CD1 4.33Å; L57-I67 PolarHBondContact O-N 3Å; L57-I67 VanDerWaalsContact O-N 3.09Å; I67-M69 PolarHBondContact O-N 3.49Å
68	E	53.6	Low	66.2	Low	147 Å²	147	76.3 Å²	76.3	69%	0.687	42%	0.417	S	S	*	.			trans	-69.6	120.2	160.9	-73.8	-169.7	161	0	0	107.1	Q66 A70	Q66-E68 VanDerWaalsContact C-N 3.25Å; Q66-E68 PolarHBondContact O-N 2.83Å; E68-A70 PolarHBondContact O-N 2.9Å
69	M	53.5	Low	68.3	Low	71 Å²	71	76.1 Å²	76.1	35%	0.35	41%	0.406	S	S	.	.			trans	-69.3	82.3	170.2	-63.4	-169.8	-172.6	0	0	107.8	F54 I67 H71	F54-M69 HydrophobicContact CD1-CE 3.45Å; F54-M69 VanDerWaalsContact CD1-CE 3.45Å; F54-M69 HydrophobicContact CD2-CE 4.42Å; F54-M69 HydrophobicContact CE1-CE 3.23Å; F54-M69 HydrophobicContact CE2-CE 4.25Å; F54-M69 HydrophobicContact CG-CE 4.07Å; F54-M69 HydrophobicContact CZ-CE 3.68Å; I67-M69 PolarHBondContact O-N 3.49Å; M69-H71 WeakPolarHBondContact CB-NE2 3.21Å; M69-H71 PolarHBondContact O-CE1 3.3Å; M69-H71 PolarHBondContact O-N 3.43Å; M69-H71 VanDerWaalsContact O-N 3.16Å; M69-H71 PolarHBondContact O-ND1 3.16Å; M69-H71 PolarHBondContact O-NE2 2.85Å
70	A	54.9	Low	70.4	Confident	36 Å²	36	74.4 Å²	74.4	30%	0.298	38%	0.384	S	S	.	.			trans	-71.7	106.2	172.1	0	0	0	0	0	107.7	E68 G72	E68-A70 PolarHBondContact O-N 2.9Å; A70-G72 PolarHBondContact O-N 2.82Å
71	H	62.7	Low	72.5	Confident	67 Å²	67	72.1 Å²	72.1	31%	0.31	37%	0.368	S	S	.	.			trans	-78.2	60.9	179.4	-55.3	111.8	0	0	0	111.3	M69 T73 G119 S168 S202	M69-H71 WeakPolarHBondContact CB-NE2 3.21Å; M69-H71 PolarHBondContact O-CE1 3.3Å; M69-H71 PolarHBondContact O-N 3.43Å; M69-H71 VanDerWaalsContact O-N 3.16Å; M69-H71 PolarHBondContact O-ND1 3.16Å; M69-H71 PolarHBondContact O-NE2 2.85Å; H71-T73 PolarHBondContact O-N 2.88Å; H71-T73 VanDerWaalsContact O-N 3.08Å; H71-G119 WeakPolarHBondContact CD2-CA 3.35Å; H71-S168 PolarHBondContact CD2-OG 2.76Å; H71-S168 PolarHBondContact CE1-OG 2.74Å; H71-S168 VanDerWaalsContact CE1-OG 3.3Å; H71-S168 VanDerWaalsContact NE2-CB 3.27Å; H71-S168 WeakPolarHBondContact NE2-CB 3.35Å; H71-S168 PolarHBondContact NE2-OG 3.4Å; H71-S202 WeakPolarHBondContact O-CB 3.08Å; H71-S202 PolarHBondContact O-N 3.08Å; H71-S202 PolarHBondContact O-OG 3.48Å
72	G	70.2	Confident	74.8	Confident	5 Å²	5	73.1 Å²	73.1	5%	0.052	36%	0.356	C	S	.	.			trans	-70.6	92.7	-176.7	0	0	0	0	0	113.5	A70 S202 Y241	A70-G72 PolarHBondContact O-N 2.82Å; G72-S202 WeakPolarHBondContact CA-OG 3.46Å; G72-Y241 CarbonylContact C-O 3.59Å
73	T	91.6	Very high	76.9	Confident	11 Å²	11	63.2 Å²	63.2	7%	0.067	31%	0.309	C	S	.	.			trans	-168.9	150.6	-175.1	-71.5	0	0	0	0	111	H71 T75 K105 G201 S202 G203	H71-T73 PolarHBondContact O-N 2.88Å; H71-T73 VanDerWaalsContact O-N 3.08Å; T73-T75 HydrophobicContact CG2-CG2 3.61Å; T73-K105 HydrophobicContact CG2-CD 3.61Å; T73-K105 PolarHBondContact OG1-NZ 2.98Å; T73-G201 CarbonylContact O-C 3.35Å; T73-G201 WeakPolarHBondContact O-CA 3.45Å; T73-S202 PolarHBondContact N-OG 2.83Å; T73-S202 PolarHBondContact O-N 3.22Å; T73-S202 PolarHBondContact O-OG 2.88Å; T73-G203 PolarHBondContact O-N 3.4Å
74	T	97.2	Very high	79.2	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.269	C	S	.	.			trans	-125.4	120.7	163.3	-53.7	0	0	0	0	109.4	D89 G203 A207 I232 A235 S242	T74-D89 PolarHBondContact N-OD1 3.5Å; T74-D89 PolarHBondContact O-N 2.9Å; T74-D89 VanDerWaalsContact O-OD1 3.13Å; T74-G203 VanDerWaalsContact OG1-CA 3.25Å; T74-G203 WeakPolarHBondContact OG1-CA 3.38Å; T74-A207 HydrophobicContact CG2-CB 3.85Å; T74-I232 HydrophobicContact CG2-CD1 3.68Å; T74-A235 HydrophobicContact CG2-CB 3.75Å; T74-S242 PolarHBondContact N-OG 3.28Å; T74-S242 VanDerWaalsContact N-OG 3.16Å; T74-S242 WeakPolarHBondContact OG1-CB 3.36Å; T74-S242 PolarHBondContact OG1-OG 3.3Å
75	T	97.9	Very high	81.6	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	148.7	167	73.9	0	0	0	0	109.9	T73 V88 M172 S199 T200	T73-T75 HydrophobicContact CG2-CG2 3.61Å; T75-V88 HydrophobicContact CG2-CB 3.94Å; T75-V88 HydrophobicContact CG2-CG1 3.51Å; T75-M172 WeakPolarHBondContact OG1-CE 3.38Å; T75-S199 CarbonylContact O-C 3.5Å; T75-S199 WeakPolarHBondContact O-CA 3.47Å; T75-S199 WeakPolarHBondContact O-CB 3.14Å; T75-S199 PolarHBondContact O-OG 2.81Å; T75-T200 PolarHBondContact N-O 2.87Å; T75-T200 PolarHBondContact O-N 2.97Å; T75-T200 PolarHBondContact OG1-OG1 2.85Å
76	L	98.2	Very high	84	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	152.5	172.6	65.4	87	0	0	0	110.6	F78 A86 A87 F198 A207 M211 A231 I232	L76-F78 HydrophobicContact CD1-CD1 3.92Å; L76-F78 HydrophobicContact CD1-CE1 4.02Å; L76-A86 WeakPolarHBondContact O-CA 3.34Å; L76-A87 HydrophobicContact CD1-CB 3.9Å; L76-A87 HydrophobicContact CG-CB 4.15Å; L76-A87 PolarHBondContact N-O 3.3Å; L76-A87 PolarHBondContact O-N 3.48Å; L76-A87 VanDerWaalsContact O-O 3.13Å; L76-F198 CarbonylContact C-O 3.34Å; L76-F198 VanDerWaalsContact CA-O 3.31Å; L76-F198 WeakPolarHBondContact CA-O 3.28Å; L76-A207 HydrophobicContact CD2-CB 4.06Å; L76-M211 HydrophobicContact CB-CE 4.33Å; L76-M211 HydrophobicContact CB-SD 4.22Å; L76-M211 HydrophobicContact CD1-SD 4.02Å; L76-M211 HydrophobicContact CD2-SD 4.46Å; L76-M211 HydrophobicContact CG-SD 4.47Å; L76-A231 HydrophobicContact CD2-CB 3.5Å; L76-A231 VanDerWaalsContact CD2-CB 3.5Å; L76-I232 HydrophobicContact CD2-CD1 3.55Å; L76-I232 HydrophobicContact CD2-CG1 3.77Å; L76-I232 HydrophobicContact CG-CD1 3.84Å; L76-I232 HydrophobicContact CG-CG1 4.2Å
77	A	98.5	Very high	86.1	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	139.9	169.7	0	0	0	0	0	110.4	I85 A86 M172 L183 M197 F198	A77-I85 CarbonylContact C-O 3.59Å; A77-I85 WeakPolarHBondContact CA-O 3.48Å; A77-I85 WeakPolarHBondContact CB-O 3.33Å; A77-A86 HydrophobicContact CB-CB 4.36Å; A77-M172 HydrophobicContact CB-CE 4.3Å; A77-M172 HydrophobicContact CB-SD 3.9Å; A77-L183 HydrophobicContact CB-CD1 3.68Å; A77-L183 HydrophobicContact CB-CD2 4.09Å; A77-M197 CarbonylContact O-C 3.52Å; A77-M197 WeakPolarHBondContact O-CA 3.31Å; A77-F198 PolarHBondContact N-O 2.91Å; A77-F198 PolarHBondContact O-N 3.23Å
78	F	98.5	Very high	88.3	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	144.9	175.8	63.8	-90.7	0	0	0	112.1	L76 V84 I85 N196 M197 M211 Y215 L219 A224 L227	L76-F78 HydrophobicContact CD1-CD1 3.92Å; L76-F78 HydrophobicContact CD1-CE1 4.02Å; F78-V84 WeakPolarHBondContact O-CA 3.39Å; F78-V84 WeakPolarHBondContact O-CG1 3.46Å; F78-I85 HydrophobicContact CD1-CB 4.31Å; F78-I85 HydrophobicContact CE1-CB 3.84Å; F78-I85 HydrophobicContact CE1-CG1 4.39Å; F78-I85 HydrophobicContact CE1-CG2 3.94Å; F78-I85 HydrophobicContact CE2-CB 4.11Å; F78-I85 HydrophobicContact CE2-CG1 3.93Å; F78-I85 HydrophobicContact CZ-CB 3.73Å; F78-I85 HydrophobicContact CZ-CG1 3.77Å; F78-I85 HydrophobicContact CZ-CG2 4.08Å; F78-I85 PolarHBondContact N-O 2.66Å; F78-I85 PolarHBondContact O-N 3.01Å; F78-N196 CarbonylContact C-O 3.46Å; F78-N196 WeakPolarHBondContact CA-O 3.44Å; F78-M197 HydrophobicContact CB-CB 4.05Å; F78-M197 HydrophobicContact CB-CG 3.97Å; F78-M197 HydrophobicContact CB-SD 4.47Å; F78-M211 HydrophobicContact CB-SD 4.26Å; F78-M211 HydrophobicContact CD1-CG 4.31Å; F78-M211 HydrophobicContact CD1-SD 3.67Å; F78-M211 HydrophobicContact CE1-SD 4.46Å; F78-M211 HydrophobicContact CG-SD 4.31Å; F78-Y215 HydrophobicContact CB-CE2 4.31Å; F78-Y215 AromaticContact CD2-CD2 3.96Å; F78-Y215 HydrophobicContact CD2-CD2 3.96Å; F78-Y215 AromaticContact CD2-CE2 3.82Å; F78-Y215 HydrophobicContact CD2-CE2 3.82Å; F78-Y215 HydrophobicContact CG-CD2 4.4Å; F78-Y215 HydrophobicContact CG-CE2 4.4Å; F78-L219 HydrophobicContact CE2-CD1 4.45Å; F78-A224 HydrophobicContact CE2-CB 4.07Å; F78-A224 HydrophobicContact CZ-CB 4.19Å; F78-A224 WeakPolarHBondContact CZ-O 3.18Å; F78-L227 HydrophobicContact CZ-CD2 4.28Å
79	K	98.2	Very high	90.4	Very high	32 Å²	32	21.5 Å²	21.5	14%	0.139	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	148	175.6	-55.1	-169.4	-172.8	-176.8	0	109.9	G83 V84 P181 L183 G195 N196 Y215	K79-G83 CarbonylContact C-O 3.57Å; K79-G83 WeakPolarHBondContact CA-O 3.47Å; K79-V84 HydrophobicContact CG-CG1 4.42Å; K79-V84 HydrophobicContact CG-CG2 4.07Å; K79-P181 WeakPolarHBondContact CE-O 3.39Å; K79-P181 PolarHBondContact NZ-O 3.44Å; K79-L183 HydrophobicContact CD-CB 4.28Å; K79-L183 HydrophobicContact CG-CB 4.03Å; K79-L183 HydrophobicContact CG-CD2 4.32Å; K79-G195 VanDerWaalsContact CE-O 3.3Å; K79-G195 WeakPolarHBondContact CE-O 3.37Å; K79-N196 PolarHBondContact N-O 3.27Å; K79-Y215 VanDerWaalsContact O-CE2 3.29Å; K79-Y215 WeakPolarHBondContact O-CE2 3.21Å; K79-Y215 PolarHBondContact O-OH 3.16Å
80	F	97.6	Very high	92.5	Very high	12 Å²	12	18.1 Å²	18.1	5%	0.053	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	179.6	172.2	73.2	-64.9	0	0	0	109.4	H82 G83 I85 L219 A224 H250	F80-H82 HydrophobicContact CD2-CB 4.18Å; F80-H82 AromaticContact CD2-ND1 3.8Å; F80-H82 HydrophobicContact CE1-CB 4.48Å; F80-H82 HydrophobicContact CE2-CB 3.49Å; F80-H82 VanDerWaalsContact CE2-CB 3.49Å; F80-H82 AromaticContact CE2-CG 3.87Å; F80-H82 AromaticContact CE2-ND1 3.51Å; F80-H82 HydrophobicContact CZ-CB 3.66Å; F80-H82 PolarHBondContact O-N 3.5Å; F80-H82 VanDerWaalsContact O-N 3.07Å; F80-G83 WeakPolarHBondContact CD1-O 3.49Å; F80-G83 PolarHBondContact N-O 3.03Å; F80-G83 PolarHBondContact O-N 3.36Å; F80-G83 VanDerWaalsContact O-O 3.08Å; F80-I85 HydrophobicContact CD1-CG1 4.17Å; F80-I85 HydrophobicContact CE1-CD1 3.71Å; F80-I85 HydrophobicContact CE1-CG1 3.68Å; F80-I85 HydrophobicContact CZ-CD1 4.07Å; F80-I85 HydrophobicContact CZ-CG1 4.32Å; F80-L219 HydrophobicContact CD2-CB 4.28Å; F80-L219 WeakPolarHBondContact CD2-O 3.31Å; F80-A224 HydrophobicContact CD2-CB 4.11Å; F80-A224 HydrophobicContact CE1-CB 4.37Å; F80-A224 HydrophobicContact CE2-CB 3.83Å; F80-A224 HydrophobicContact CG-CB 4.46Å; F80-A224 HydrophobicContact CZ-CB 3.98Å; F80-H250 AromaticContact CE1-NE2 3.83Å; F80-H250 AromaticContact CZ-NE2 3.68Å
81	Q	96	Very high	94.4	Very high	130 Å²	130	18.9 Å²	18.9	61%	0.607	9%	0.087	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.6	-36.8	-177.5	-86.3	177.9	-7	0	0	114.5	P217 N218	Q81-P217 WeakPolarHBondContact CG-O 3.41Å; Q81-P217 PolarHBondContact N-O 3.08Å; Q81-N218 VanDerWaalsContact CD-CA 3.46Å; Q81-N218 HydrophobicContact CG-CB 4.43Å; Q81-N218 VanDerWaalsContact NE2-CB 3.26Å
82	H	96.8	Very high	95.9	Very high	85 Å²	85	17 Å²	17	39%	0.394	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	19	-176	-46.6	87.7	0	0	0	113.3	F80 L219 P221 H250	F80-H82 HydrophobicContact CD2-CB 4.18Å; F80-H82 AromaticContact CD2-ND1 3.8Å; F80-H82 HydrophobicContact CE1-CB 4.48Å; F80-H82 HydrophobicContact CE2-CB 3.49Å; F80-H82 VanDerWaalsContact CE2-CB 3.49Å; F80-H82 AromaticContact CE2-CG 3.87Å; F80-H82 AromaticContact CE2-ND1 3.51Å; F80-H82 HydrophobicContact CZ-CB 3.66Å; F80-H82 PolarHBondContact O-N 3.5Å; F80-H82 VanDerWaalsContact O-N 3.07Å; H82-L219 PolarHBondContact CE1-O 2.83Å; H82-L219 PolarHBondContact ND1-O 2.72Å; H82-P221 HydrophobicContact CB-CG 4.41Å; H82-H250 PolarHBondContact O-NE2 3.16Å
83	G	96.6	Very high	96.7	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	122.4	-132.7	173.3	0	0	0	0	0	114.6	K79 F80 M251	K79-G83 CarbonylContact C-O 3.57Å; K79-G83 WeakPolarHBondContact CA-O 3.47Å; F80-G83 WeakPolarHBondContact CD1-O 3.49Å; F80-G83 PolarHBondContact N-O 3.03Å; F80-G83 PolarHBondContact O-N 3.36Å; F80-G83 VanDerWaalsContact O-O 3.08Å; G83-M251 WeakPolarHBondContact CA-O 3.22Å
84	V	98.4	Very high	96.4	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.006	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	130	-177.3	-164.9	0	0	0	0	110.2	F78 K79 C174 P181 L183 M251	F78-V84 WeakPolarHBondContact O-CA 3.39Å; F78-V84 WeakPolarHBondContact O-CG1 3.46Å; K79-V84 HydrophobicContact CG-CG1 4.42Å; K79-V84 HydrophobicContact CG-CG2 4.07Å; V84-C174 HydrophobicContact CG1-CB 4.09Å; V84-P181 HydrophobicContact CG2-CB 3.59Å; V84-L183 HydrophobicContact CG1-CD1 4.44Å; V84-M251 HydrophobicContact CB-CB 3.96Å; V84-M251 HydrophobicContact CG2-CB 4.43Å; V84-M251 PolarHBondContact N-O 2.9Å; V84-M251 VanDerWaalsContact N-O 3.14Å; V84-M251 PolarHBondContact O-N 2.84Å
85	I	98.4	Very high	95.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	135.1	167.2	-59.2	-52.9	0	0	0	108.3	A77 F78 F80 A224 Y225 M248 H250	A77-I85 CarbonylContact C-O 3.59Å; A77-I85 WeakPolarHBondContact CA-O 3.48Å; A77-I85 WeakPolarHBondContact CB-O 3.33Å; F78-I85 HydrophobicContact CD1-CB 4.31Å; F78-I85 HydrophobicContact CE1-CB 3.84Å; F78-I85 HydrophobicContact CE1-CG1 4.39Å; F78-I85 HydrophobicContact CE1-CG2 3.94Å; F78-I85 HydrophobicContact CE2-CB 4.11Å; F78-I85 HydrophobicContact CE2-CG1 3.93Å; F78-I85 HydrophobicContact CZ-CB 3.73Å; F78-I85 HydrophobicContact CZ-CG1 3.77Å; F78-I85 HydrophobicContact CZ-CG2 4.08Å; F78-I85 PolarHBondContact N-O 2.66Å; F78-I85 PolarHBondContact O-N 3.01Å; F80-I85 HydrophobicContact CD1-CG1 4.17Å; F80-I85 HydrophobicContact CE1-CD1 3.71Å; F80-I85 HydrophobicContact CE1-CG1 3.68Å; F80-I85 HydrophobicContact CZ-CD1 4.07Å; F80-I85 HydrophobicContact CZ-CG1 4.32Å; I85-A224 HydrophobicContact CD1-CB 4.45Å; I85-A224 HydrophobicContact CG1-CB 3.97Å; I85-Y225 HydrophobicContact CD1-CD1 3.72Å; I85-Y225 HydrophobicContact CD1-CE1 3.6Å; I85-M248 HydrophobicContact CG2-CG 3.96Å; I85-M248 HydrophobicContact CG2-SD 3.83Å; I85-H250 HydrophobicContact CD1-CB 3.98Å
86	A	98.4	Very high	95.2	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.008	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	119.2	168.1	0	0	0	0	0	108.3	L76 A77 M248 Y249	L76-A86 WeakPolarHBondContact O-CA 3.34Å; A77-A86 HydrophobicContact CB-CB 4.36Å; A86-M248 WeakPolarHBondContact O-CA 3.25Å; A86-Y249 PolarHBondContact N-O 3.3Å; A86-Y249 PolarHBondContact O-N 3.08Å
87	A	98.4	Very high	94.7	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	137.4	-178.8	0	0	0	0	0	110.2	L76 I232 N247 M248	L76-A87 HydrophobicContact CD1-CB 3.9Å; L76-A87 HydrophobicContact CG-CB 4.15Å; L76-A87 PolarHBondContact N-O 3.3Å; L76-A87 PolarHBondContact O-N 3.48Å; L76-A87 VanDerWaalsContact O-O 3.13Å; A87-I232 HydrophobicContact CB-CG1 3.85Å; A87-N247 WeakPolarHBondContact CA-O 3.48Å; A87-M248 HydrophobicContact CB-CB 4.41Å; A87-M248 HydrophobicContact CB-CG 4.17Å; A87-M248 HydrophobicContact CB-SD 4.39Å
88	V	98.3	Very high	94.4	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	150	-176.8	-53.8	0	0	0	0	110.8	T75 K105 V106 T116 V246 N247	T75-V88 HydrophobicContact CG2-CB 3.94Å; T75-V88 HydrophobicContact CG2-CG1 3.51Å; V88-K105 HydrophobicContact CB-CB 4.09Å; V88-K105 HydrophobicContact CG1-CB 4.48Å; V88-K105 HydrophobicContact CG2-CB 3.89Å; V88-V106 HydrophobicContact CB-CG2 4.36Å; V88-V106 HydrophobicContact CG1-CG2 3.65Å; V88-V106 HydrophobicContact CG2-CG2 3.68Å; V88-T116 HydrophobicContact CG1-CG2 4.23Å; V88-V246 WeakPolarHBondContact O-CA 3.44Å; V88-N247 HydrophobicContact CG2-CB 3.86Å; V88-N247 PolarHBondContact N-O 2.94Å; V88-N247 PolarHBondContact O-N 3.43Å
89	D	97.9	Very high	94.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.242	C	C	.	.			trans	-77.1	178.4	163.1	88.9	-61.4	0	0	0	111	T74 R91 K105 I232 T236 S242 G243 V245	T74-D89 PolarHBondContact N-OD1 3.5Å; T74-D89 PolarHBondContact O-N 2.9Å; T74-D89 VanDerWaalsContact O-OD1 3.13Å; D89-R91 PolarHBondContact OD2-N 3.36Å; D89-R91 VanDerWaalsContact OD2-N 3.14Å; D89-K105 VanDerWaalsContact O-CD 3.32Å; D89-K105 WeakPolarHBondContact O-CD 3.21Å; D89-K105 IonicContact OD1-NZ 3.03Å; D89-K105 PolarHBondContact OD1-NZ 2.75Å; D89-K105 IonicContact OD2-NZ 3.19Å; D89-K105 PolarHBondContact OD2-NZ 3.07Å; D89-I232 HydrophobicContact CB-CG2 4.03Å; D89-T236 HydrophobicContact CB-CG2 3.85Å; D89-S242 WeakPolarHBondContact OD2-CA 3.33Å; D89-G243 PolarHBondContact OD2-N 3.27Å; D89-V245 CarbonylContact C-O 3.6Å
90	S	97.1	Very high	93.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.249	C	C	.	.			trans	-128.1	0.8	-176	73.1	0	0	0	0	115.2	L101 V103 G243 V245	S90-L101 CarbonylContact C-O 3.51Å; S90-L101 CarbonylContact O-C 3.57Å; S90-L101 VanDerWaalsContact O-O 3.14Å; S90-L101 PolarHBondContact OG-O 3.5Å; S90-V103 WeakPolarHBondContact CA-O 3.39Å; S90-V103 VanDerWaalsContact CB-O 3.26Å; S90-V103 WeakPolarHBondContact CB-O 3.35Å; S90-V103 WeakPolarHBondContact O-CB 3.41Å; S90-V103 PolarHBondContact O-N 3.02Å; S90-G243 PolarHBondContact N-O 3.23Å; S90-V245 PolarHBondContact N-O 3.33Å; S90-V245 WeakPolarHBondContact OG-CG2 3.28Å; S90-V245 PolarHBondContact OG-N 3.13Å; S90-V245 PolarHBondContact OG-O 3.31Å
91	R	95.6	Very high	93.8	Very high	52 Å²	52	46.6 Å²	46.6	20%	0.196	27%	0.27	C	S	.	.			trans	-74.8	135.8	-178	179	173.6	-70.8	171.4	3	111.1	D89 I98 K105 S240 Y241 S242 G243	D89-R91 PolarHBondContact OD2-N 3.36Å; D89-R91 VanDerWaalsContact OD2-N 3.14Å; R91-I98 HydrophobicContact CG-CG2 4.08Å; R91-K105 WeakPolarHBondContact O-CE 3.35Å; R91-K105 PolarHBondContact O-NZ 2.98Å; R91-S240 PolarHBondContact NH1-O 3.43Å; R91-Y241 WeakPolarHBondContact CD-O 3.45Å; R91-S242 PolarHBondContact NH1-O 3.46Å; R91-G243 WeakPolarHBondContact CB-O 3.44Å; R91-G243 PolarHBondContact N-O 2.98Å
92	A	93.3	Very high	93.8	Very high	28 Å²	28	48.7 Å²	48.7	23%	0.231	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	126.2	167.5	0	0	0	0	0	109.6	S99 A100 V103	A92-S99 WeakPolarHBondContact O-CB 3.29Å; A92-S99 PolarHBondContact O-N 2.92Å; A92-A100 HydrophobicContact CB-CB 4.49Å; A92-A100 PolarHBondContact N-O 3.1Å; A92-A100 PolarHBondContact O-N 2.85Å; A92-A100 VanDerWaalsContact O-N 3.09Å; A92-V103 HydrophobicContact CB-CB 4.46Å; A92-V103 HydrophobicContact CB-CG2 3.63Å
93	S	87.5	Confident	93.7	Very high	27 Å²	27	46.2 Å²	46.2	19%	0.189	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	146.2	-178.3	51.4	0	0	0	0	111.8	Y97	S93-Y97 CarbonylContact C-O 3.53Å; S93-Y97 WeakPolarHBondContact CA-O 3.33Å
94	A	86.4	Confident	93.6	Very high	62 Å²	62	49.8 Å²	49.8	51%	0.512	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	90.5	168.5	0	0	0	0	0	107.4	Y97	A94-Y97 PolarHBondContact N-O 2.96Å; A94-Y97 PolarHBondContact O-N 2.8Å
95	G	83.9	Confident	93.5	Very high	37 Å²	37	49.9 Å²	49.9	38%	0.381	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.6	-132.5	-164.3	0	0	0	0	0	110.9	Y97	G95-Y97 VanDerWaalsContact C-N 3.31Å
96	S	85.1	Confident	93.5	Very high	123 Å²	123	49.9 Å²	49.9	86%	0.86	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-17	176.2	57	0	0	0	0	114
97	Y	87.5	Confident	93.4	Very high	165 Å²	165	51.3 Å²	51.3	65%	0.647	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.3	129.8	-179.6	178.8	-103.3	0	0	0	111	S93 A94 G95 S99	S93-Y97 CarbonylContact C-O 3.53Å; S93-Y97 WeakPolarHBondContact CA-O 3.33Å; A94-Y97 PolarHBondContact N-O 2.96Å; A94-Y97 PolarHBondContact O-N 2.8Å; G95-Y97 VanDerWaalsContact C-N 3.31Å; Y97-S99 PolarHBondContact O-N 2.9Å
98	I	92.6	Very high	93.4	Very high	65 Å²	65	55.7 Å²	55.7	33%	0.333	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	103.9	173.2	-59.8	172.1	0	0	0	108.2	R91 L101	R91-I98 HydrophobicContact CG-CG2 4.08Å; I98-L101 HydrophobicContact CD1-CD2 4.45Å; I98-L101 HydrophobicContact CG2-CD2 3.81Å; I98-L101 HydrophobicContact CG2-CG 4.18Å
99	S	91.6	Very high	93.2	Very high	76 Å²	76	56.1 Å²	56.1	53%	0.531	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	-45.8	178.7	-178.9	0	0	0	0	111.6	A92 Y97	A92-S99 WeakPolarHBondContact O-CB 3.29Å; A92-S99 PolarHBondContact O-N 2.92Å; Y97-S99 PolarHBondContact O-N 2.9Å
100	A	94.6	Very high	93	Very high	34 Å²	34	58 Å²	58	28%	0.281	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	139.9	177.1	0	0	0	0	0	111.3	A92 V103	A92-A100 HydrophobicContact CB-CB 4.49Å; A92-A100 PolarHBondContact N-O 3.1Å; A92-A100 PolarHBondContact O-N 2.85Å; A92-A100 VanDerWaalsContact O-N 3.09Å; A100-V103 HydrophobicContact CB-CG2 3.68Å
101	L	95	Very high	93	Very high	92 Å²	92	62.1 Å²	62.1	48%	0.482	35%	0.349	S	S	.	.	S	Bend	trans	-83.7	-27.8	176.6	-70.5	168.1	0	0	0	112.8	S90 I98	S90-L101 CarbonylContact C-O 3.51Å; S90-L101 CarbonylContact O-C 3.57Å; S90-L101 VanDerWaalsContact O-O 3.14Å; S90-L101 PolarHBondContact OG-O 3.5Å; I98-L101 HydrophobicContact CD1-CD2 4.45Å; I98-L101 HydrophobicContact CG2-CD2 3.81Å; I98-L101 HydrophobicContact CG2-CG 4.18Å
102	R	96	Very high	93	Very high	175 Å²	175	63 Å²	63	66%	0.66	35%	0.353	S	S	*	.			trans	-129.3	79	-171.4	-65.1	-173.3	179.6	107.6	3.9	111.7	V245 D263	R102-V245 HydrophobicContact CG-CG1 4.25Å; R102-D263 IonicContact NH2-OD2 2.83Å; R102-D263 PolarHBondContact NH2-OD2 3.43Å
103	V	95.8	Very high	93.2	Very high	33 Å²	33	62 Å²	62	20%	0.2	34%	0.343	C	S	.	.			trans	-100.8	136.6	169.9	179.5	0	0	0	0	109.4	S90 A92 A100 K105 M117	S90-V103 WeakPolarHBondContact CA-O 3.39Å; S90-V103 VanDerWaalsContact CB-O 3.26Å; S90-V103 WeakPolarHBondContact CB-O 3.35Å; S90-V103 WeakPolarHBondContact O-CB 3.41Å; S90-V103 PolarHBondContact O-N 3.02Å; A92-V103 HydrophobicContact CB-CB 4.46Å; A92-V103 HydrophobicContact CB-CG2 3.63Å; A100-V103 HydrophobicContact CB-CG2 3.68Å; V103-K105 HydrophobicContact CG1-CG 4.4Å; V103-K105 PolarHBondContact O-N 3.06Å; V103-M117 HydrophobicContact CG1-CE 3.75Å
104	N	94.2	Very high	93.8	Very high	75 Å²	75	60.7 Å²	60.7	40%	0.401	33%	0.334	S	S	.	.			trans	-78.9	111.7	171.6	-173.6	16.8	0	0	0	109.9	V106	N104-V106 PolarHBondContact ND2-O 3.37Å; N104-V106 PolarHBondContact OD1-N 3.15Å; N104-V106 PolarHBondContact OD1-O 3.29Å
105	K	96.8	Very high	94.3	Very high	3 Å²	3	57.7 Å²	57.7	1%	0.013	31%	0.31	C	S	.	.			trans	-100.6	10.8	179.3	-54.1	-173.1	-167.5	174.5	0	114	T73 V88 D89 R91 V103 T116 M117	T73-K105 HydrophobicContact CG2-CD 3.61Å; T73-K105 PolarHBondContact OG1-NZ 2.98Å; V88-K105 HydrophobicContact CB-CB 4.09Å; V88-K105 HydrophobicContact CG1-CB 4.48Å; V88-K105 HydrophobicContact CG2-CB 3.89Å; D89-K105 VanDerWaalsContact O-CD 3.32Å; D89-K105 WeakPolarHBondContact O-CD 3.21Å; D89-K105 IonicContact OD1-NZ 3.03Å; D89-K105 PolarHBondContact OD1-NZ 2.75Å; D89-K105 IonicContact OD2-NZ 3.19Å; D89-K105 PolarHBondContact OD2-NZ 3.07Å; R91-K105 WeakPolarHBondContact O-CE 3.35Å; R91-K105 PolarHBondContact O-NZ 2.98Å; V103-K105 HydrophobicContact CG1-CG 4.4Å; V103-K105 PolarHBondContact O-N 3.06Å; K105-T116 CarbonylContact O-C 3.58Å; K105-T116 WeakPolarHBondContact O-CA 3.46Å; K105-M117 HydrophobicContact CB-CB 4.21Å; K105-M117 HydrophobicContact CB-CE 4.35Å; K105-M117 HydrophobicContact CG-CE 3.97Å; K105-M117 PolarHBondContact O-N 2.86Å
106	V	97.6	Very high	95	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	118.1	166	179.5	0	0	0	0	108	V88 N104 L114 G115 Y249	V88-V106 HydrophobicContact CB-CG2 4.36Å; V88-V106 HydrophobicContact CG1-CG2 3.65Å; V88-V106 HydrophobicContact CG2-CG2 3.68Å; N104-V106 PolarHBondContact ND2-O 3.37Å; N104-V106 PolarHBondContact OD1-N 3.15Å; N104-V106 PolarHBondContact OD1-O 3.29Å; V106-L114 HydrophobicContact CG1-CB 4.05Å; V106-L114 HydrophobicContact CG1-CD1 4.15Å; V106-L114 HydrophobicContact CG1-CD2 3.88Å; V106-L114 HydrophobicContact CG1-CG 4.25Å; V106-G115 CarbonylContact C-O 3.54Å; V106-G115 WeakPolarHBondContact CA-O 3.31Å; V106-Y249 HydrophobicContact CB-CD2 3.98Å; V106-Y249 HydrophobicContact CB-CE2 3.67Å; V106-Y249 HydrophobicContact CG1-CD1 4.43Å; V106-Y249 HydrophobicContact CG1-CD2 3.94Å; V106-Y249 HydrophobicContact CG1-CE1 4.39Å; V106-Y249 HydrophobicContact CG1-CE2 3.92Å; V106-Y249 HydrophobicContact CG1-CG 4.22Å; V106-Y249 HydrophobicContact CG2-CD2 3.8Å; V106-Y249 HydrophobicContact CG2-CE2 3.87Å
107	I	96.6	Very high	95.4	Very high	30 Å²	30	50.4 Å²	50.4	15%	0.154	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	121.5	175.6	-61.2	175.2	0	0	0	108.2	I109 G115 Q125 E128	I107-I109 HydrophobicContact CG2-CG1 4.33Å; I107-I109 PolarHBondContact O-N 3.47Å; I107-G115 PolarHBondContact N-O 3.01Å; I107-G115 PolarHBondContact O-N 3.48Å; I107-Q125 HydrophobicContact CD1-CG 4.16Å; I107-E128 HydrophobicContact CB-CB 4.47Å; I107-E128 WeakPolarHBondContact CB-OE2 3.46Å; I107-E128 HydrophobicContact CD1-CB 3.8Å; I107-E128 HydrophobicContact CD1-CG 4.25Å; I107-E128 HydrophobicContact CG2-CB 4.17Å
108	E	97.3	Very high	95.7	Very high	93 Å²	93	42.8 Å²	42.8	44%	0.435	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	82.2	177.9	-63.3	168.4	-167.9	0	0	109.1	L114 Y249 W256	E108-L114 HydrophobicContact CB-CD2 4.39Å; E108-L114 HydrophobicContact CG-CD2 3.98Å; E108-Y249 HydrophobicContact CG-CE1 4.34Å; E108-Y249 PolarHBondContact OE1-OH 3.19Å; E108-W256 HydrophobicContact CB-CH2 4.47Å; E108-W256 HydrophobicContact CB-CZ2 3.79Å; E108-W256 VanDerWaalsContact CD-CZ2 3.44Å; E108-W256 HydrophobicContact CG-CH2 3.74Å; E108-W256 HydrophobicContact CG-CZ2 3.47Å; E108-W256 VanDerWaalsContact CG-CZ2 3.47Å; E108-W256 WeakPolarHBondContact OE1-CH2 3.32Å; E108-W256 VanDerWaalsContact OE2-CH2 3.31Å; E108-W256 WeakPolarHBondContact OE2-CH2 3.44Å; E108-W256 WeakPolarHBondContact OE2-CZ2 3.47Å
109	I	94.9	Very high	95.7	Very high	9 Å²	9	40.4 Å²	40.4	5%	0.046	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	-48.2	-176.2	-58.9	168.2	0	0	0	110	I107 L113 L131 A132 I173	I107-I109 HydrophobicContact CG2-CG1 4.33Å; I107-I109 PolarHBondContact O-N 3.47Å; I109-L113 HydrophobicContact CB-CB 4.4Å; I109-L113 HydrophobicContact CB-CD2 4.36Å; I109-L113 WeakPolarHBondContact CB-O 3.4Å; I109-L113 HydrophobicContact CD1-CD2 4.04Å; I109-L113 HydrophobicContact CD1-CG 4.23Å; I109-L113 HydrophobicContact CG2-CD2 4.01Å; I109-L113 PolarHBondContact N-O 3.02Å; I109-L131 HydrophobicContact CD1-CD2 3.94Å; I109-A132 HydrophobicContact CB-CB 4.44Å; I109-A132 HydrophobicContact CG2-CB 3.62Å; I109-I173 HydrophobicContact CD1-CD1 4Å
110	N	94.3	Very high	95.7	Very high	39 Å²	39	38.5 Å²	38.5	21%	0.209	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	174.5	170.7	65.2	55.3	0	0	0	109.5	Y112 L113 W256	N110-Y112 PolarHBondContact O-N 3.24Å; N110-Y112 VanDerWaalsContact OD1-C 3.32Å; N110-Y112 WeakPolarHBondContact OD1-CA 3.49Å; N110-Y112 PolarHBondContact OD1-N 3.32Å; N110-L113 PolarHBondContact N-O 3.12Å; N110-L113 WeakPolarHBondContact ND2-CB 3.46Å; N110-L113 PolarHBondContact O-N 3.28Å; N110-L113 VanDerWaalsContact OD1-CB 3.29Å; N110-L113 WeakPolarHBondContact OD1-CB 3.05Å; N110-L113 PolarHBondContact OD1-N 3.31Å; N110-W256 PolarHBondContact O-NE1 3.39Å
111	P	96.2	Very high	95.5	Very high	86 Å²	86	39 Å²	39	56%	0.558	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-11.4	-178.5	-26.7	36.5	0	0	0	116.1	G255 W256	P111-G255 CarbonylContact O-C 3.36Å; P111-G255 WeakPolarHBondContact O-CA 3.45Å; P111-W256 PolarHBondContact O-N 3.3Å
112	Y	96.8	Very high	95.3	Very high	72 Å²	72	37.7 Å²	37.7	28%	0.282	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.2	6	-176.4	-56.9	-91.3	0	0	0	113.2	N110 G175 W176 D254	N110-Y112 PolarHBondContact O-N 3.24Å; N110-Y112 VanDerWaalsContact OD1-C 3.32Å; N110-Y112 WeakPolarHBondContact OD1-CA 3.49Å; N110-Y112 PolarHBondContact OD1-N 3.32Å; Y112-G175 WeakPolarHBondContact O-CA 3.49Å; Y112-W176 PolarHBondContact O-N 3.15Å; Y112-D254 VanDerWaalsContact CE1-O 3.28Å; Y112-D254 WeakPolarHBondContact CE1-O 3.48Å
113	L	97.7	Very high	95.2	Very high	5 Å²	5	30.8 Å²	30.8	3%	0.026	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	124	-175.5	-161.1	76.4	0	0	0	109.6	I109 N110 V148 A151 I173 C174	I109-L113 HydrophobicContact CB-CB 4.4Å; I109-L113 HydrophobicContact CB-CD2 4.36Å; I109-L113 WeakPolarHBondContact CB-O 3.4Å; I109-L113 HydrophobicContact CD1-CD2 4.04Å; I109-L113 HydrophobicContact CD1-CG 4.23Å; I109-L113 HydrophobicContact CG2-CD2 4.01Å; I109-L113 PolarHBondContact N-O 3.02Å; N110-L113 PolarHBondContact N-O 3.12Å; N110-L113 WeakPolarHBondContact ND2-CB 3.46Å; N110-L113 PolarHBondContact O-N 3.28Å; N110-L113 VanDerWaalsContact OD1-CB 3.29Å; N110-L113 WeakPolarHBondContact OD1-CB 3.05Å; N110-L113 PolarHBondContact OD1-N 3.31Å; L113-V148 HydrophobicContact CD1-CB 4.32Å; L113-V148 HydrophobicContact CD1-CG1 3.95Å; L113-V148 HydrophobicContact CD1-CG2 4.07Å; L113-A151 HydrophobicContact CD2-CB 3.7Å; L113-I173 HydrophobicContact CD1-CG2 3.72Å; L113-I173 HydrophobicContact CD2-CG2 4.21Å; L113-I173 HydrophobicContact CG-CG2 4.06Å; L113-C174 CarbonylContact C-O 3.56Å; L113-C174 WeakPolarHBondContact CA-O 3.48Å
114	L	98.4	Very high	95.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	149.1	173.2	-60.3	171.1	0	0	0	109.2	V106 E108 C174 Y249 M251 W256	V106-L114 HydrophobicContact CG1-CB 4.05Å; V106-L114 HydrophobicContact CG1-CD1 4.15Å; V106-L114 HydrophobicContact CG1-CD2 3.88Å; V106-L114 HydrophobicContact CG1-CG 4.25Å; E108-L114 HydrophobicContact CB-CD2 4.39Å; E108-L114 HydrophobicContact CG-CD2 3.98Å; L114-C174 PolarHBondContact N-O 2.89Å; L114-C174 PolarHBondContact O-N 3.3Å; L114-Y249 HydrophobicContact CD1-CD1 3.84Å; L114-Y249 HydrophobicContact CD1-CG 3.93Å; L114-Y249 HydrophobicContact CD2-CD1 4.29Å; L114-M251 HydrophobicContact CB-CE 4.24Å; L114-M251 HydrophobicContact CD1-CE 3.86Å; L114-M251 HydrophobicContact CG-CE 3.67Å; L114-W256 HydrophobicContact CD1-CB 3.77Å; L114-W256 HydrophobicContact CD1-CG 3.94Å; L114-W256 HydrophobicContact CD2-CB 4.41Å; L114-W256 VanDerWaalsContact CD2-CD1 3.48Å; L114-W256 HydrophobicContact CD2-CD2 3.8Å; L114-W256 HydrophobicContact CD2-CG 3.66Å; L114-W256 HydrophobicContact CG-CB 4.1Å; L114-W256 HydrophobicContact CG-CD2 4.44Å; L114-W256 HydrophobicContact CG-CG 3.83Å
115	G	97.9	Very high	95.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	143.5	168.3	0	0	0	0	0	110.7	V106 I107 E128 M172	V106-G115 CarbonylContact C-O 3.54Å; V106-G115 WeakPolarHBondContact CA-O 3.31Å; I107-G115 PolarHBondContact N-O 3.01Å; I107-G115 PolarHBondContact O-N 3.48Å; G115-E128 WeakPolarHBondContact CA-OE2 3.29Å; G115-M172 WeakPolarHBondContact CA-O 3.39Å
116	T	97.5	Very high	95.2	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	141.4	177.7	64	0	0	0	0	110.7	V88 K105 E128 S171 M172	V88-T116 HydrophobicContact CG1-CG2 4.23Å; K105-T116 CarbonylContact O-C 3.58Å; K105-T116 WeakPolarHBondContact O-CA 3.46Å; T116-E128 VanDerWaalsContact O-OE1 3.13Å; T116-S171 VanDerWaalsContact O-CA 3.24Å; T116-S171 WeakPolarHBondContact O-CA 3.48Å; T116-S171 VanDerWaalsContact O-CB 3.24Å; T116-S171 WeakPolarHBondContact O-CB 3.44Å; T116-S171 PolarHBondContact O-OG 3.37Å; T116-M172 HydrophobicContact CG2-CB 4.25Å; T116-M172 HydrophobicContact CG2-CE 3.9Å; T116-M172 PolarHBondContact N-O 2.91Å; T116-M172 VanDerWaalsContact N-O 3.15Å; T116-M172 WeakPolarHBondContact OG1-CB 3.33Å; T116-M172 VanDerWaalsContact OG1-CE 3.29Å; T116-M172 WeakPolarHBondContact OG1-CE 3.3Å; T116-M172 PolarHBondContact OG1-N 3.41Å
117	M	95.2	Very high	95.1	Very high	6 Å²	6	35.3 Å²	35.3	3%	0.03	20%	0.196	C	C	.	.			trans	-99.3	113	179.7	173.8	164.6	77.3	0	0	110.6	V103 K105 A121 C124 Q125	V103-M117 HydrophobicContact CG1-CE 3.75Å; K105-M117 HydrophobicContact CB-CB 4.21Å; K105-M117 HydrophobicContact CB-CE 4.35Å; K105-M117 HydrophobicContact CG-CE 3.97Å; K105-M117 PolarHBondContact O-N 2.86Å; M117-A121 HydrophobicContact CE-CB 4.34Å; M117-A121 HydrophobicContact SD-CB 4.01Å; M117-C124 HydrophobicContact CB-CB 3.96Å; M117-C124 HydrophobicContact CG-CB 3.43Å; M117-C124 VanDerWaalsContact CG-CB 3.43Å; M117-C124 HydrophobicContact SD-CB 3.86Å; M117-Q125 HydrophobicContact SD-CG 3.79Å
118	S	93.6	Very high	95.1	Very high	5 Å²	5	33.9 Å²	33.9	4%	0.035	19%	0.189	C	C	.	.			trans	-139	142.3	163.6	81.6	0	0	0	0	109.9	C124 G170 T200	S118-C124 PolarHBondContact O-SG 3.11Å; S118-G170 WeakPolarHBondContact CB-O 3.33Å; S118-G170 PolarHBondContact N-O 3.08Å; S118-G170 PolarHBondContact O-N 3.33Å; S118-G170 PolarHBondContact OG-O 3Å; S118-T200 VanDerWaalsContact CB-OG1 3.27Å; S118-T200 WeakPolarHBondContact CB-OG1 3.37Å; S118-T200 WeakPolarHBondContact OG-CB 3.32Å; S118-T200 PolarHBondContact OG-OG1 3.44Å
119	G	91.3	Very high	95.1	Very high	16 Å²	16	39 Å²	39	17%	0.165	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	109.5	-148.5	-168.3	0	0	0	0	0	111.5	H71 A121	H71-G119 WeakPolarHBondContact CD2-CA 3.35Å; G119-A121 PolarHBondContact O-N 3.39Å
120	C	91.3	Very high	95.2	Very high	35 Å²	35	39.3 Å²	39.3	24%	0.236	21%	0.206	C	C	.	.			trans	-69.3	122	174.2	177.2	0	0	0	0	110.1	A122 D123 C124 S168	C120-A122 VanDerWaalsContact C-N 3.26Å; C120-A122 PolarHBondContact O-N 3.06Å; C120-D123 HydrophobicContact CB-CB 4Å; C120-D123 WeakPolarHBondContact CB-OD2 3.34Å; C120-D123 PolarHBondContact O-N 2.91Å; C120-C124 PolarHBondContact O-N 2.7Å; C120-C124 VanDerWaalsContact O-N 3.13Å; C120-C124 PolarHBondContact O-SG 3.42Å; C120-S168 WeakPolarHBondContact CB-O 3.23Å; C120-S168 PolarHBondContact N-O 3.33Å
121	A	90.9	Very high	95.3	Very high	45 Å²	45	37.4 Å²	37.4	37%	0.372	20%	0.196	S	C	.	.	H	α-helix	trans	-60.1	-36.3	-177.2	0	0	0	0	0	112.8	M117 G119 Q125	M117-A121 HydrophobicContact CE-CB 4.34Å; M117-A121 HydrophobicContact SD-CB 4.01Å; G119-A121 PolarHBondContact O-N 3.39Å; A121-Q125 WeakPolarHBondContact O-CB 3.38Å; A121-Q125 WeakPolarHBondContact O-CG 3.2Å; A121-Q125 PolarHBondContact O-N 2.88Å; A121-Q125 VanDerWaalsContact O-N 3.13Å; A121-Q125 PolarHBondContact O-NE2 3.47Å
122	A	91.2	Very high	95.4	Very high	64 Å²	64	34 Å²	34	53%	0.529	18%	0.175	S	C	.	.	H	α-helix	trans	-68.5	-43.2	178.9	0	0	0	0	0	111.9	C120 Q125 Y126	C120-A122 VanDerWaalsContact C-N 3.26Å; C120-A122 PolarHBondContact O-N 3.06Å; A122-Q125 PolarHBondContact O-N 3.11Å; A122-Y126 VanDerWaalsContact O-CB 3.28Å; A122-Y126 WeakPolarHBondContact O-CB 3.43Å; A122-Y126 PolarHBondContact O-N 2.99Å
123	D	93.3	Very high	95.4	Very high	30 Å²	30	36 Å²	36	16%	0.16	19%	0.185	C	C	.	.	H	α-helix	trans	-63.1	-50.2	-179.6	-66.2	-17	0	0	0	110.6	C120 Q125 Y126 W127 S168	C120-D123 HydrophobicContact CB-CB 4Å; C120-D123 WeakPolarHBondContact CB-OD2 3.34Å; C120-D123 PolarHBondContact O-N 2.91Å; D123-Q125 PolarHBondContact O-N 3.15Å; D123-Y126 PolarHBondContact O-N 3.34Å; D123-W127 WeakPolarHBondContact O-CB 3.49Å; D123-W127 PolarHBondContact O-N 3.01Å; D123-S168 PolarHBondContact OD2-N 2.79Å; D123-S168 VanDerWaalsContact OD2-N 3.08Å
124	C	94.8	Very high	95.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-58.6	-50.2	178.7	-58.1	0	0	0	0	111.1	M117 S118 C120 Y126 E128 M169	M117-C124 HydrophobicContact CB-CB 3.96Å; M117-C124 HydrophobicContact CG-CB 3.43Å; M117-C124 VanDerWaalsContact CG-CB 3.43Å; M117-C124 HydrophobicContact SD-CB 3.86Å; S118-C124 PolarHBondContact O-SG 3.11Å; C120-C124 PolarHBondContact O-N 2.7Å; C120-C124 VanDerWaalsContact O-N 3.13Å; C120-C124 PolarHBondContact O-SG 3.42Å; C124-Y126 PolarHBondContact O-N 3.44Å; C124-E128 VanDerWaalsContact O-CB 3.25Å; C124-E128 WeakPolarHBondContact O-CB 3.49Å; C124-E128 WeakPolarHBondContact O-CG 3.42Å; C124-E128 PolarHBondContact O-N 3.08Å; C124-M169 HydrophobicContact CB-CG 4.32Å; C124-M169 VanDerWaalsContact SG-CG 3.54Å
125	Q	95.4	Very high	95.3	Very high	100 Å²	100	38 Å²	38	47%	0.467	20%	0.195	S	C	.	.	H	α-helix	trans	-60.9	-43.6	-179.6	-75.1	176.4	43	0	0	112.7	I107 M117 A121 A122 D123 R129	I107-Q125 HydrophobicContact CD1-CG 4.16Å; M117-Q125 HydrophobicContact SD-CG 3.79Å; A121-Q125 WeakPolarHBondContact O-CB 3.38Å; A121-Q125 WeakPolarHBondContact O-CG 3.2Å; A121-Q125 PolarHBondContact O-N 2.88Å; A121-Q125 VanDerWaalsContact O-N 3.13Å; A121-Q125 PolarHBondContact O-NE2 3.47Å; A122-Q125 PolarHBondContact O-N 3.11Å; D123-Q125 PolarHBondContact O-N 3.15Å; Q125-R129 WeakPolarHBondContact O-CB 3.45Å; Q125-R129 PolarHBondContact O-N 3.08Å; Q125-R129 VanDerWaalsContact O-N 3.13Å
126	Y	96.3	Very high	95.2	Very high	99 Å²	99	46.6 Å²	46.6	39%	0.388	23%	0.227	S	C	.	.	H	α-helix	trans	-66.3	-52.8	-179.1	178.6	-94.4	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 2.99Å; D123-Y126 PolarHBondContact O-N 3.34Å; C124-Y126 PolarHBondContact O-N 3.44Å; Y126-R129 PolarHBondContact O-N 3.35Å; Y126-L130 HydrophobicContact CE1-CD2 4.35Å; Y126-L130 WeakPolarHBondContact O-CB 3.11Å; Y126-L130 PolarHBondContact O-N 2.96Å
127	W	96.6	Very high	95.2	Very high	7 Å²	7	49.2 Å²	49.2	3%	0.027	24%	0.241	C	C	.	.	H	α-helix	trans	-71.8	-36.3	-173.4	-72.4	113.8	0	0	0	112.9	D123 L130 L131 L155 M158 M159 Y162 L167	D123-W127 WeakPolarHBondContact O-CB 3.49Å; D123-W127 PolarHBondContact O-N 3.01Å; W127-L130 HydrophobicContact CE3-CD2 3.72Å; W127-L130 HydrophobicContact CZ3-CD2 3.54Å; W127-L130 PolarHBondContact O-N 3.01Å; W127-L131 WeakPolarHBondContact O-CB 3.41Å; W127-L131 PolarHBondContact O-N 3.04Å; W127-L155 HydrophobicContact CB-CD1 4.11Å; W127-M158 HydrophobicContact CE3-CB 3.91Å; W127-M158 HydrophobicContact CE3-CG 4.34Å; W127-M158 HydrophobicContact CE3-SD 4.09Å; W127-M158 HydrophobicContact CZ3-CB 3.81Å; W127-M158 HydrophobicContact CZ3-CG 4.15Å; W127-M158 HydrophobicContact CZ3-SD 4.34Å; W127-M159 HydrophobicContact CB-CE 3.81Å; W127-M159 HydrophobicContact CD2-CE 3.34Å; W127-M159 HydrophobicContact CE3-CE 3.84Å; W127-M159 HydrophobicContact CG-CE 3.3Å; W127-M159 HydrophobicContact CZ2-CE 4.46Å; W127-Y162 AromaticContact CH2-CD2 3.7Å; W127-Y162 HydrophobicContact CH2-CD2 3.7Å; W127-Y162 AromaticContact CH2-CE2 3.47Å; W127-Y162 HydrophobicContact CH2-CE2 3.47Å; W127-Y162 VanDerWaalsContact CH2-CE2 3.47Å; W127-Y162 AromaticContact CZ2-CD2 3.77Å; W127-Y162 HydrophobicContact CZ2-CD2 3.77Å; W127-Y162 AromaticContact CZ2-CE2 3.86Å; W127-Y162 HydrophobicContact CZ2-CE2 3.86Å; W127-Y162 HydrophobicContact CZ2-CG 4.19Å; W127-L167 HydrophobicContact CZ2-CD1 4.49Å
128	E	96.9	Very high	95.3	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-72.2	-33	174.7	-67.1	-171.1	-148.8	0	0	112.3	I107 G115 T116 C124 L130 L131 A132 S171	I107-E128 HydrophobicContact CB-CB 4.47Å; I107-E128 WeakPolarHBondContact CB-OE2 3.46Å; I107-E128 HydrophobicContact CD1-CB 3.8Å; I107-E128 HydrophobicContact CD1-CG 4.25Å; I107-E128 HydrophobicContact CG2-CB 4.17Å; G115-E128 WeakPolarHBondContact CA-OE2 3.29Å; T116-E128 VanDerWaalsContact O-OE1 3.13Å; C124-E128 VanDerWaalsContact O-CB 3.25Å; C124-E128 WeakPolarHBondContact O-CB 3.49Å; C124-E128 WeakPolarHBondContact O-CG 3.42Å; C124-E128 PolarHBondContact O-N 3.08Å; E128-L130 VanDerWaalsContact C-N 3.34Å; E128-L131 WeakPolarHBondContact O-CB 3.41Å; E128-L131 PolarHBondContact O-N 3.18Å; E128-A132 PolarHBondContact O-N 3.02Å; E128-S171 VanDerWaalsContact OE1-CB 3.29Å; E128-S171 WeakPolarHBondContact OE1-CB 3.37Å; E128-S171 PolarHBondContact OE1-OG 3.07Å
129	R	96.9	Very high	95.4	Very high	200 Å²	200	58.8 Å²	58.8	76%	0.755	28%	0.278	S	S	*	.	H	α-helix	trans	-67.9	-36.4	171.2	-172.7	176.3	-175.9	124.3	-0.6	111.8	Q125 Y126 A132 K133	Q125-R129 WeakPolarHBondContact O-CB 3.45Å; Q125-R129 PolarHBondContact O-N 3.08Å; Q125-R129 VanDerWaalsContact O-N 3.13Å; Y126-R129 PolarHBondContact O-N 3.35Å; R129-A132 WeakPolarHBondContact O-CB 3.22Å; R129-A132 PolarHBondContact O-N 2.95Å; R129-K133 PolarHBondContact O-N 3.36Å; R129-K133 VanDerWaalsContact O-N 3.1Å
130	L	96.9	Very high	95.7	Very high	16 Å²	16	64.8 Å²	64.8	8%	0.084	31%	0.305	C	S	.	.	H	α-helix	trans	-66.4	-40.9	172.5	-178.6	57.9	0	0	0	111.3	P40 Y126 W127 E128 A132 K133 E134 M158	P40-L130 HydrophobicContact CG-CD1 4.02Å; P40-L130 HydrophobicContact CG-CD2 4.19Å; Y126-L130 HydrophobicContact CE1-CD2 4.35Å; Y126-L130 WeakPolarHBondContact O-CB 3.11Å; Y126-L130 PolarHBondContact O-N 2.96Å; W127-L130 HydrophobicContact CE3-CD2 3.72Å; W127-L130 HydrophobicContact CZ3-CD2 3.54Å; W127-L130 PolarHBondContact O-N 3.01Å; E128-L130 VanDerWaalsContact C-N 3.34Å; L130-A132 VanDerWaalsContact C-N 3.32Å; L130-A132 PolarHBondContact O-N 2.94Å; L130-K133 HydrophobicContact CD1-CD 4.08Å; L130-K133 WeakPolarHBondContact O-CB 3.29Å; L130-K133 PolarHBondContact O-N 3.46Å; L130-E134 PolarHBondContact O-N 2.9Å; L130-M158 HydrophobicContact CD2-CE 4.46Å; L130-M158 HydrophobicContact CD2-SD 4.43Å; L130-M158 HydrophobicContact CG-CE 4.23Å
131	L	96.9	Very high	95.9	Very high	0 Å²	0	71.8 Å²	71.8	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-57.5	-45.3	171	177.1	64.9	0	0	0	111	I109 W127 E128 K133 E134 C135 A151 L154 L155 I173	I109-L131 HydrophobicContact CD1-CD2 3.94Å; W127-L131 WeakPolarHBondContact O-CB 3.41Å; W127-L131 PolarHBondContact O-N 3.04Å; E128-L131 WeakPolarHBondContact O-CB 3.41Å; E128-L131 PolarHBondContact O-N 3.18Å; L131-K133 VanDerWaalsContact C-N 3.29Å; L131-K133 PolarHBondContact O-N 3.18Å; L131-E134 PolarHBondContact O-N 3.26Å; L131-E134 VanDerWaalsContact O-N 3.11Å; L131-C135 PolarHBondContact O-N 3.46Å; L131-C135 PolarHBondContact O-SG 3.43Å; L131-A151 HydrophobicContact CD1-CB 4.41Å; L131-A151 WeakPolarHBondContact CD1-O 3.09Å; L131-L154 HydrophobicContact CD1-CB 4.25Å; L131-L154 HydrophobicContact CD1-CD2 4.07Å; L131-L154 HydrophobicContact CD1-CG 4.34Å; L131-L155 HydrophobicContact CD1-CB 4.47Å; L131-L155 HydrophobicContact CD2-CB 4.17Å; L131-L155 HydrophobicContact CD2-CD2 4.24Å; L131-I173 HydrophobicContact CD2-CD1 4.05Å
132	A	96.9	Very high	96.2	Very high	14 Å²	14	74.1 Å²	74.1	12%	0.116	33%	0.332	C	S	.	.	H	α-helix	trans	-56.6	-42.6	176.3	0	0	0	0	0	112.4	I109 E128 R129 L130 C135 R136	I109-A132 HydrophobicContact CB-CB 4.44Å; I109-A132 HydrophobicContact CG2-CB 3.62Å; E128-A132 PolarHBondContact O-N 3.02Å; R129-A132 WeakPolarHBondContact O-CB 3.22Å; R129-A132 PolarHBondContact O-N 2.95Å; L130-A132 VanDerWaalsContact C-N 3.32Å; L130-A132 PolarHBondContact O-N 2.94Å; A132-C135 PolarHBondContact O-N 3.29Å; A132-R136 VanDerWaalsContact O-CG 3.29Å; A132-R136 WeakPolarHBondContact O-CG 3.39Å; A132-R136 PolarHBondContact O-N 3.26Å
133	K	97.4	Very high	96.5	Very high	115 Å²	115	74 Å²	74	50%	0.5	34%	0.338	S	S	.	.	H	α-helix	trans	-59.1	-49.6	174	169	-173.7	163.5	-170.3	0	111.1	R129 L130 L131 R136 L137	R129-K133 PolarHBondContact O-N 3.36Å; R129-K133 VanDerWaalsContact O-N 3.1Å; L130-K133 HydrophobicContact CD1-CD 4.08Å; L130-K133 WeakPolarHBondContact O-CB 3.29Å; L130-K133 PolarHBondContact O-N 3.46Å; L131-K133 VanDerWaalsContact C-N 3.29Å; L131-K133 PolarHBondContact O-N 3.18Å; K133-R136 PolarHBondContact O-N 3.48Å; K133-L137 PolarHBondContact O-N 3.48Å
134	E	97	Very high	96.6	Very high	40 Å²	40	76.8 Å²	76.8	19%	0.187	35%	0.35	C	S	.	.	H	α-helix	trans	-66.5	-37.3	-179.2	-65.4	-54.9	136.2	0	0	112.3	L130 L131 R136 L137 Y138 L154 M158	L130-E134 PolarHBondContact O-N 2.9Å; L131-E134 PolarHBondContact O-N 3.26Å; L131-E134 VanDerWaalsContact O-N 3.11Å; E134-R136 VanDerWaalsContact C-N 3.34Å; E134-R136 PolarHBondContact O-N 3.19Å; E134-L137 PolarHBondContact O-N 2.87Å; E134-Y138 WeakPolarHBondContact O-CB 3.49Å; E134-Y138 PolarHBondContact O-N 3.3Å; E134-L154 HydrophobicContact CB-CD2 3.5Å; E134-L154 VanDerWaalsContact CB-CD2 3.5Å; E134-L154 HydrophobicContact CG-CD2 4.08Å; E134-M158 HydrophobicContact CG-CE 3.82Å
135	C	96.3	Very high	96.6	Very high	6 Å²	6	83.3 Å²	83.3	4%	0.041	37%	0.374	C	S	.	.	H	α-helix	trans	-61.5	-41.1	173.2	-65.3	0	0	0	0	112	L131 A132 Y138 Y139 I146	L131-C135 PolarHBondContact O-N 3.46Å; L131-C135 PolarHBondContact O-SG 3.43Å; A132-C135 PolarHBondContact O-N 3.29Å; C135-Y138 WeakPolarHBondContact O-CB 3.3Å; C135-Y138 PolarHBondContact O-N 3.49Å; C135-Y139 PolarHBondContact O-N 2.94Å; C135-Y139 VanDerWaalsContact O-N 3.1Å; C135-I146 HydrophobicContact CB-CG2 3.96Å
136	R	96	Very high	96.7	Very high	181 Å²	181	79.9 Å²	79.9	68%	0.683	36%	0.359	S	S	*	.	H	α-helix	trans	-67.3	-40.6	175.6	-71.1	167.9	75.7	139	2.2	111.6	A132 K133 E134 Y138 Y139 L140	A132-R136 VanDerWaalsContact O-CG 3.29Å; A132-R136 WeakPolarHBondContact O-CG 3.39Å; A132-R136 PolarHBondContact O-N 3.26Å; K133-R136 PolarHBondContact O-N 3.48Å; E134-R136 VanDerWaalsContact C-N 3.34Å; E134-R136 PolarHBondContact O-N 3.19Å; R136-Y138 VanDerWaalsContact C-N 3.33Å; R136-Y139 WeakPolarHBondContact O-CB 3.27Å; R136-Y139 PolarHBondContact O-N 2.94Å; R136-L140 WeakPolarHBondContact O-CG 3.32Å; R136-L140 PolarHBondContact O-N 3.46Å; R136-L140 VanDerWaalsContact O-N 3.08Å
137	L	97	Very high	96.8	Very high	55 Å²	55	77 Å²	77	29%	0.288	35%	0.353	S	S	.	.	H	α-helix	trans	-64.3	-39.4	175.7	-176.3	59.7	0	0	0	111.8	K133 E134 Y139 L140 R141	K133-L137 PolarHBondContact O-N 3.48Å; E134-L137 PolarHBondContact O-N 2.87Å; L137-Y139 VanDerWaalsContact C-N 3.33Å; L137-Y139 PolarHBondContact O-N 3.18Å; L137-L140 PolarHBondContact O-N 3.11Å; L137-R141 WeakPolarHBondContact O-CG 3.14Å; L137-R141 PolarHBondContact O-N 2.84Å
138	Y	97.4	Very high	96.8	Very high	88 Å²	88	76.8 Å²	76.8	35%	0.345	35%	0.353	S	S	.	.	H	α-helix	trans	-59.1	-45	173.5	-177.4	-85.2	0	0	0	111.4	E134 C135 R136 L140 R141 N142 I146	E134-Y138 WeakPolarHBondContact O-CB 3.49Å; E134-Y138 PolarHBondContact O-N 3.3Å; C135-Y138 WeakPolarHBondContact O-CB 3.3Å; C135-Y138 PolarHBondContact O-N 3.49Å; R136-Y138 VanDerWaalsContact C-N 3.33Å; Y138-L140 PolarHBondContact O-N 2.84Å; Y138-R141 PolarHBondContact O-N 2.96Å; Y138-N142 VanDerWaalsContact CD2-ND2 3.32Å; Y138-N142 WeakPolarHBondContact CD2-ND2 3.41Å; Y138-N142 HydrophobicContact CE1-CB 4.3Å; Y138-N142 VanDerWaalsContact CE2-ND2 3.29Å; Y138-N142 WeakPolarHBondContact CE2-ND2 3.4Å; Y138-N142 PolarHBondContact O-N 2.9Å; Y138-N142 PolarHBondContact O-ND2 2.91Å; Y138-I146 HydrophobicContact CD1-CB 3.69Å; Y138-I146 HydrophobicContact CD1-CG1 4.13Å; Y138-I146 HydrophobicContact CD2-CD1 4.45Å; Y138-I146 HydrophobicContact CE1-CB 4.06Å; Y138-I146 HydrophobicContact CE1-CG1 4.32Å; Y138-I146 HydrophobicContact CG-CB 4.17Å; Y138-I146 HydrophobicContact CG-CD1 4.26Å; Y138-I146 HydrophobicContact CG-CG1 4.26Å
139	Y	95.9	Very high	96.9	Very high	124 Å²	124	78.3 Å²	78.3	49%	0.486	36%	0.363	S	S	.	.	H	α-helix	trans	-60.2	-45.9	177	-178.2	-97.9	0	0	0	112.2	C135 R136 L137 R141 G143 E144 R145	C135-Y139 PolarHBondContact O-N 2.94Å; C135-Y139 VanDerWaalsContact O-N 3.1Å; R136-Y139 WeakPolarHBondContact O-CB 3.27Å; R136-Y139 PolarHBondContact O-N 2.94Å; L137-Y139 VanDerWaalsContact C-N 3.33Å; L137-Y139 PolarHBondContact O-N 3.18Å; Y139-R141 VanDerWaalsContact C-N 3.3Å; Y139-R141 PolarHBondContact O-N 2.88Å; Y139-G143 WeakPolarHBondContact O-CA 3.36Å; Y139-G143 PolarHBondContact O-N 2.94Å; Y139-E144 WeakPolarHBondContact CA-O 3.44Å; Y139-R145 HydrophobicContact CD2-CG 4.08Å; Y139-R145 HydrophobicContact CE2-CG 4.1Å
140	L	97.4	Very high	96.9	Very high	141 Å²	141	70.5 Å²	70.5	74%	0.738	34%	0.341	S	S	*	.	H	α-helix	trans	-64.1	-33.3	178.6	-67.7	174.1	0	0	0	113.2	R136 L137 Y138	R136-L140 WeakPolarHBondContact O-CG 3.32Å; R136-L140 PolarHBondContact O-N 3.46Å; R136-L140 VanDerWaalsContact O-N 3.08Å; L137-L140 PolarHBondContact O-N 3.11Å; Y138-L140 PolarHBondContact O-N 2.84Å
141	R	97.3	Very high	97	Very high	183 Å²	183	69.7 Å²	69.7	69%	0.691	34%	0.337	S	S	*	.	H	α-helix	trans	-77.8	-40.8	-179.7	-75	173.6	171.8	165.8	-1.5	113.3	L137 Y138 Y139	L137-R141 WeakPolarHBondContact O-CG 3.14Å; L137-R141 PolarHBondContact O-N 2.84Å; Y138-R141 PolarHBondContact O-N 2.96Å; Y139-R141 VanDerWaalsContact C-N 3.3Å; Y139-R141 PolarHBondContact O-N 2.88Å
142	N	97.3	Very high	97	Very high	93 Å²	93	69.7 Å²	69.7	50%	0.497	34%	0.337	S	S	.	.	H	α-helix	trans	-103.2	-12.7	-170.7	-58.2	-76.1	0	0	0	113.3	Y138 E144	Y138-N142 VanDerWaalsContact CD2-ND2 3.32Å; Y138-N142 WeakPolarHBondContact CD2-ND2 3.41Å; Y138-N142 HydrophobicContact CE1-CB 4.3Å; Y138-N142 VanDerWaalsContact CE2-ND2 3.29Å; Y138-N142 WeakPolarHBondContact CE2-ND2 3.4Å; Y138-N142 PolarHBondContact O-N 2.9Å; Y138-N142 PolarHBondContact O-ND2 2.91Å; N142-E144 PolarHBondContact O-N 2.79Å
143	G	96.3	Very high	97	Very high	62 Å²	62	74 Å²	74	64%	0.639	35%	0.354	S	S	*	.	S	Bend	trans	66.7	13.4	-171.9	0	0	0	0	0	113.6	Y139	Y139-G143 WeakPolarHBondContact O-CA 3.36Å; Y139-G143 PolarHBondContact O-N 2.94Å
144	E	95.8	Very high	97.1	Very high	88 Å²	88	71.1 Å²	71.1	41%	0.411	34%	0.343	S	S	.	.	S	Bend	trans	-137.8	146.3	-174.8	175.6	156.2	-117.8	0	0	111.3	Y139 N142 K178	Y139-E144 WeakPolarHBondContact CA-O 3.44Å; N142-E144 PolarHBondContact O-N 2.79Å; E144-K178 WeakPolarHBondContact OE1-CE 3.39Å; E144-K178 IonicContact OE1-NZ 2.82Å; E144-K178 PolarHBondContact OE1-NZ 2.93Å; E144-K178 IonicContact OE2-NZ 3.88Å; E144-K178 PolarHBondContact OE2-NZ 3.15Å
145	R	94.9	Very high	97.1	Very high	138 Å²	138	69.2 Å²	69.2	52%	0.521	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-66.5	142.3	177.2	-62.6	-169.3	-63	-106.8	5.2	111.1	Y139	Y139-R145 HydrophobicContact CD2-CG 4.08Å; Y139-R145 HydrophobicContact CE2-CG 4.1Å
146	I	97.1	Very high	97.1	Very high	27 Å²	27	69 Å²	69	14%	0.138	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-68.1	142.7	175.3	-164.8	169.7	0	0	0	110.8	C135 Y138 A150 A151	C135-I146 HydrophobicContact CB-CG2 3.96Å; Y138-I146 HydrophobicContact CD1-CB 3.69Å; Y138-I146 HydrophobicContact CD1-CG1 4.13Å; Y138-I146 HydrophobicContact CD2-CD1 4.45Å; Y138-I146 HydrophobicContact CE1-CB 4.06Å; Y138-I146 HydrophobicContact CE1-CG1 4.32Å; Y138-I146 HydrophobicContact CG-CB 4.17Å; Y138-I146 HydrophobicContact CG-CD1 4.26Å; Y138-I146 HydrophobicContact CG-CG1 4.26Å; I146-A150 HydrophobicContact CD1-CB 4.11Å; I146-A150 HydrophobicContact CG1-CB 3.76Å; I146-A151 HydrophobicContact CD1-CB 4.28Å; I146-A151 HydrophobicContact CG2-CB 4.37Å
147	S	97.8	Very high	97.2	Very high	38 Å²	38	64.3 Å²	64.3	27%	0.266	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-71.9	152.8	172	72.6	0	0	0	0	111.7	S149 A150 A151 D177	S147-S149 PolarHBondContact O-N 3.09Å; S147-S149 PolarHBondContact OG-OG 3.45Å; S147-A150 PolarHBondContact O-N 3.24Å; S147-A150 VanDerWaalsContact O-N 3.12Å; S147-A150 VanDerWaalsContact OG-CB 3.27Å; S147-A150 WeakPolarHBondContact OG-CB 3.28Å; S147-A150 PolarHBondContact OG-N 3.2Å; S147-A150 VanDerWaalsContact OG-N 3.08Å; S147-A151 PolarHBondContact O-N 3.37Å; S147-D177 WeakPolarHBondContact CB-OD2 2.87Å
148	V	97.9	Very high	97	Very high	3 Å²	3	62.7 Å²	62.7	2%	0.018	31%	0.313	C	S	.	.	H	α-helix	trans	-61.3	-36.8	177.3	-170.4	0	0	0	0	109.9	L113 A150 A151 S152 I173 D177 Y184	L113-V148 HydrophobicContact CD1-CB 4.32Å; L113-V148 HydrophobicContact CD1-CG1 3.95Å; L113-V148 HydrophobicContact CD1-CG2 4.07Å; V148-A150 PolarHBondContact O-N 2.93Å; V148-A151 PolarHBondContact O-N 3.28Å; V148-S152 PolarHBondContact O-N 2.72Å; V148-S152 PolarHBondContact O-OG 3.5Å; V148-I173 HydrophobicContact CG1-CG2 4.08Å; V148-D177 HydrophobicContact CG2-CB 4.09Å; V148-D177 PolarHBondContact N-OD2 2.67Å; V148-Y184 HydrophobicContact CB-CE2 4.46Å; V148-Y184 HydrophobicContact CG1-CD2 3.86Å; V148-Y184 HydrophobicContact CG1-CE2 4.23Å
149	S	97.8	Very high	96.9	Very high	32 Å²	32	58.5 Å²	58.5	22%	0.224	30%	0.296	C	S	.	.	H	α-helix	trans	-63.2	-39.8	177.2	75.6	0	0	0	0	113	S147 S152 K153 Y184 R192	S147-S149 PolarHBondContact O-N 3.09Å; S147-S149 PolarHBondContact OG-OG 3.45Å; S149-S152 PolarHBondContact O-OG 3.07Å; S149-S152 VanDerWaalsContact O-OG 3.07Å; S149-K153 WeakPolarHBondContact O-CB 3.47Å; S149-K153 PolarHBondContact O-N 2.75Å; S149-K153 VanDerWaalsContact O-N 3.13Å; S149-Y184 WeakPolarHBondContact CB-OH 3.35Å; S149-R192 PolarHBondContact O-NH2 2.72Å
150	A	97.8	Very high	96.8	Very high	36 Å²	36	55.7 Å²	55.7	30%	0.298	29%	0.294	S	S	.	.	H	α-helix	trans	-73.5	-41	179.1	0	0	0	0	0	111.4	I146 S147 V148 K153 L154	I146-A150 HydrophobicContact CD1-CB 4.11Å; I146-A150 HydrophobicContact CG1-CB 3.76Å; S147-A150 PolarHBondContact O-N 3.24Å; S147-A150 VanDerWaalsContact O-N 3.12Å; S147-A150 VanDerWaalsContact OG-CB 3.27Å; S147-A150 WeakPolarHBondContact OG-CB 3.28Å; S147-A150 PolarHBondContact OG-N 3.2Å; S147-A150 VanDerWaalsContact OG-N 3.08Å; V148-A150 PolarHBondContact O-N 2.93Å; A150-K153 PolarHBondContact O-N 3.38Å; A150-L154 WeakPolarHBondContact O-CB 3.49Å; A150-L154 PolarHBondContact O-N 2.78Å
151	A	98.1	Very high	96.5	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-60.5	-48.2	175.9	0	0	0	0	0	111.9	L113 L131 I146 S147 V148 K153 L154 L155	L113-A151 HydrophobicContact CD2-CB 3.7Å; L131-A151 HydrophobicContact CD1-CB 4.41Å; L131-A151 WeakPolarHBondContact CD1-O 3.09Å; I146-A151 HydrophobicContact CD1-CB 4.28Å; I146-A151 HydrophobicContact CG2-CB 4.37Å; S147-A151 PolarHBondContact O-N 3.37Å; V148-A151 PolarHBondContact O-N 3.28Å; A151-K153 VanDerWaalsContact C-N 3.3Å; A151-K153 PolarHBondContact O-N 3.14Å; A151-L154 PolarHBondContact O-N 2.91Å; A151-L155 PolarHBondContact O-N 3.44Å; A151-L155 VanDerWaalsContact O-N 3.09Å
152	S	97.8	Very high	96.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-64.7	-34.1	177.4	63.8	0	0	0	0	112.6	V148 S149 S156 Y184 R192	V148-S152 PolarHBondContact O-N 2.72Å; V148-S152 PolarHBondContact O-OG 3.5Å; S149-S152 PolarHBondContact O-OG 3.07Å; S149-S152 VanDerWaalsContact O-OG 3.07Å; S152-S156 PolarHBondContact O-N 2.87Å; S152-S156 PolarHBondContact O-OG 2.94Å; S152-Y184 VanDerWaalsContact OG-CG 3.31Å; S152-R192 PolarHBondContact OG-NE 2.73Å; S152-R192 PolarHBondContact OG-NH2 3.07Å
153	K	98.1	Very high	95.6	Very high	105 Å²	105	49.8 Å²	49.8	46%	0.457	26%	0.259	S	S	.	.	H	α-helix	trans	-68.5	-40.4	176	-169.8	63.4	-179.1	169.3	0	111.6	S149 A150 A151 S156 N157	S149-K153 WeakPolarHBondContact O-CB 3.47Å; S149-K153 PolarHBondContact O-N 2.75Å; S149-K153 VanDerWaalsContact O-N 3.13Å; A150-K153 PolarHBondContact O-N 3.38Å; A151-K153 VanDerWaalsContact C-N 3.3Å; A151-K153 PolarHBondContact O-N 3.14Å; K153-S156 WeakPolarHBondContact CA-OG 3.35Å; K153-S156 PolarHBondContact O-N 3.31Å; K153-S156 PolarHBondContact O-OG 3.48Å; K153-N157 VanDerWaalsContact O-CG 3.25Å; K153-N157 PolarHBondContact O-N 2.78Å; K153-N157 PolarHBondContact O-OD1 3.13Å
154	L	97.8	Very high	95	Very high	54 Å²	54	49.8 Å²	49.8	28%	0.283	26%	0.259	S	S	.	.	H	α-helix	trans	-61.5	-46.1	176.7	-176.4	60.8	0	0	0	111.6	L131 E134 A150 A151 S156 N157 M158	L131-L154 HydrophobicContact CD1-CB 4.25Å; L131-L154 HydrophobicContact CD1-CD2 4.07Å; L131-L154 HydrophobicContact CD1-CG 4.34Å; E134-L154 HydrophobicContact CB-CD2 3.5Å; E134-L154 VanDerWaalsContact CB-CD2 3.5Å; E134-L154 HydrophobicContact CG-CD2 4.08Å; A150-L154 WeakPolarHBondContact O-CB 3.49Å; A150-L154 PolarHBondContact O-N 2.78Å; A151-L154 PolarHBondContact O-N 2.91Å; L154-S156 PolarHBondContact O-N 3.47Å; L154-N157 PolarHBondContact O-N 3.05Å; L154-M158 HydrophobicContact CD1-CE 4.09Å; L154-M158 HydrophobicContact CD2-CE 4.09Å; L154-M158 HydrophobicContact CG-CE 3.75Å; L154-M158 WeakPolarHBondContact O-CG 3.41Å; L154-M158 PolarHBondContact O-N 3.06Å; L154-M158 VanDerWaalsContact O-N 3.08Å
155	L	97.2	Very high	94.6	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.8	-45	175.6	-174.4	60.6	0	0	0	111.8	W127 L131 A151 N157 M158 M159 M169 I173 V186	W127-L155 HydrophobicContact CB-CD1 4.11Å; L131-L155 HydrophobicContact CD1-CB 4.47Å; L131-L155 HydrophobicContact CD2-CB 4.17Å; L131-L155 HydrophobicContact CD2-CD2 4.24Å; A151-L155 PolarHBondContact O-N 3.44Å; A151-L155 VanDerWaalsContact O-N 3.09Å; L155-N157 VanDerWaalsContact C-N 3.27Å; L155-N157 PolarHBondContact O-N 3.03Å; L155-M158 HydrophobicContact CD1-SD 4.49Å; L155-M158 WeakPolarHBondContact O-CB 3.39Å; L155-M158 PolarHBondContact O-N 3.49Å; L155-M158 VanDerWaalsContact O-N 3.14Å; L155-M159 HydrophobicContact CD1-CE 4.31Å; L155-M159 WeakPolarHBondContact O-CG 3.29Å; L155-M159 PolarHBondContact O-N 2.91Å; L155-M169 HydrophobicContact CD1-CE 4.12Å; L155-M169 HydrophobicContact CD2-CE 4Å; L155-M169 HydrophobicContact CG-CE 4Å; L155-I173 HydrophobicContact CD2-CD1 3.88Å; L155-I173 HydrophobicContact CD2-CG1 4.13Å; L155-V186 HydrophobicContact CB-CG1 4.43Å; L155-V186 HydrophobicContact CD2-CB 4.26Å; L155-V186 HydrophobicContact CD2-CG1 4.16Å; L155-V186 HydrophobicContact CG-CG1 4.05Å
156	S	97.4	Very high	94.1	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.007	25%	0.25	C	S	.	.	H	α-helix	trans	-60.8	-36.5	177.2	69.5	0	0	0	0	112.8	S152 K153 L154 M159 C160	S152-S156 PolarHBondContact O-N 2.87Å; S152-S156 PolarHBondContact O-OG 2.94Å; K153-S156 WeakPolarHBondContact CA-OG 3.35Å; K153-S156 PolarHBondContact O-N 3.31Å; K153-S156 PolarHBondContact O-OG 3.48Å; L154-S156 PolarHBondContact O-N 3.47Å; S156-M159 PolarHBondContact O-N 3.3Å; S156-C160 PolarHBondContact O-N 3.02Å; S156-C160 PolarHBondContact O-SG 3.4Å
157	N	97	Very high	93.7	Very high	82 Å²	82	44.3 Å²	44.3	44%	0.439	25%	0.251	S	S	.	.	H	α-helix	trans	-68	-38.4	177.3	-69.3	-12.3	0	0	0	111.5	K153 L154 L155 M159 C160 Q161	K153-N157 VanDerWaalsContact O-CG 3.25Å; K153-N157 PolarHBondContact O-N 2.78Å; K153-N157 PolarHBondContact O-OD1 3.13Å; L154-N157 PolarHBondContact O-N 3.05Å; L155-N157 VanDerWaalsContact C-N 3.27Å; L155-N157 PolarHBondContact O-N 3.03Å; N157-M159 VanDerWaalsContact C-N 3.34Å; N157-C160 PolarHBondContact O-N 2.83Å; N157-Q161 PolarHBondContact O-N 2.92Å
158	M	94.3	Very high	93.3	Very high	22 Å²	22	42.9 Å²	42.9	11%	0.108	24%	0.241	C	C	.	.	H	α-helix	trans	-60.3	-45.1	172.5	-66.3	166.8	177.6	0	0	110.6	W127 L130 E134 L154 L155 Q161	W127-M158 HydrophobicContact CE3-CB 3.91Å; W127-M158 HydrophobicContact CE3-CG 4.34Å; W127-M158 HydrophobicContact CE3-SD 4.09Å; W127-M158 HydrophobicContact CZ3-CB 3.81Å; W127-M158 HydrophobicContact CZ3-CG 4.15Å; W127-M158 HydrophobicContact CZ3-SD 4.34Å; L130-M158 HydrophobicContact CD2-CE 4.46Å; L130-M158 HydrophobicContact CD2-SD 4.43Å; L130-M158 HydrophobicContact CG-CE 4.23Å; E134-M158 HydrophobicContact CG-CE 3.82Å; L154-M158 HydrophobicContact CD1-CE 4.09Å; L154-M158 HydrophobicContact CD2-CE 4.09Å; L154-M158 HydrophobicContact CG-CE 3.75Å; L154-M158 WeakPolarHBondContact O-CG 3.41Å; L154-M158 PolarHBondContact O-N 3.06Å; L154-M158 VanDerWaalsContact O-N 3.08Å; L155-M158 HydrophobicContact CD1-SD 4.49Å; L155-M158 WeakPolarHBondContact O-CB 3.39Å; L155-M158 PolarHBondContact O-N 3.49Å; L155-M158 VanDerWaalsContact O-N 3.14Å; M158-Q161 WeakPolarHBondContact O-CB 3.11Å; M158-Q161 PolarHBondContact O-N 2.99Å
159	M	93.6	Very high	93	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-64.5	-43.3	178.4	-66.1	-54.4	99.6	0	0	112.2	W127 L155 S156 N157 Q161 Y162 R163 L167 M169	W127-M159 HydrophobicContact CB-CE 3.81Å; W127-M159 HydrophobicContact CD2-CE 3.34Å; W127-M159 HydrophobicContact CE3-CE 3.84Å; W127-M159 HydrophobicContact CG-CE 3.3Å; W127-M159 HydrophobicContact CZ2-CE 4.46Å; L155-M159 HydrophobicContact CD1-CE 4.31Å; L155-M159 WeakPolarHBondContact O-CG 3.29Å; L155-M159 PolarHBondContact O-N 2.91Å; S156-M159 PolarHBondContact O-N 3.3Å; N157-M159 VanDerWaalsContact C-N 3.34Å; M159-Q161 PolarHBondContact O-N 2.97Å; M159-Y162 CarbonylContact O-C 3.57Å; M159-Y162 PolarHBondContact O-N 3.4Å; M159-R163 PolarHBondContact O-N 3.37Å; M159-R163 VanDerWaalsContact O-N 3.13Å; M159-L167 HydrophobicContact CE-CD1 4.4Å; M159-L167 HydrophobicContact SD-CD1 4.12Å; M159-M169 HydrophobicContact CE-CE 4.12Å; M159-M169 HydrophobicContact CG-CE 3.39Å; M159-M169 HydrophobicContact SD-CE 3.32Å; M159-M169 WeakPolarHBondContact SD-CE 3.32Å
160	C	93.7	Very high	92.9	Very high	64 Å²	64	41.4 Å²	41.4	43%	0.432	23%	0.231	S	C	.	.	H	α-helix	trans	-56.2	-35.3	176.4	-74.3	0	0	0	0	113.1	S156 N157 Y162 R163 G190	S156-C160 PolarHBondContact O-N 3.02Å; S156-C160 PolarHBondContact O-SG 3.4Å; N157-C160 PolarHBondContact O-N 2.83Å; C160-Y162 PolarHBondContact O-N 3.49Å; C160-R163 WeakPolarHBondContact O-CB 3.18Å; C160-R163 PolarHBondContact O-N 3.35Å; C160-G190 VanDerWaalsContact SG-CA 3.59Å
161	Q	92	Very high	92.8	Very high	100 Å²	100	39.7 Å²	39.7	47%	0.467	22%	0.217	S	C	.	.	H	α-helix	trans	-66	-29	179.2	-172.8	177.1	8.5	0	0	112.5	N157 M158 M159	N157-Q161 PolarHBondContact O-N 2.92Å; M158-Q161 WeakPolarHBondContact O-CB 3.11Å; M158-Q161 PolarHBondContact O-N 2.99Å; M159-Q161 PolarHBondContact O-N 2.97Å
162	Y	88.6	Confident	92.8	Very high	17 Å²	17	39.7 Å²	39.7	7%	0.067	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	15.7	-178.2	-72.1	-94.4	0	0	0	112.8	L42 W127 M159 C160 G164 M165 L167	L42-Y162 HydrophobicContact CB-CE1 4.1Å; L42-Y162 PolarHBondContact N-OH 3.13Å; W127-Y162 AromaticContact CH2-CD2 3.7Å; W127-Y162 HydrophobicContact CH2-CD2 3.7Å; W127-Y162 AromaticContact CH2-CE2 3.47Å; W127-Y162 HydrophobicContact CH2-CE2 3.47Å; W127-Y162 VanDerWaalsContact CH2-CE2 3.47Å; W127-Y162 AromaticContact CZ2-CD2 3.77Å; W127-Y162 HydrophobicContact CZ2-CD2 3.77Å; W127-Y162 AromaticContact CZ2-CE2 3.86Å; W127-Y162 HydrophobicContact CZ2-CE2 3.86Å; W127-Y162 HydrophobicContact CZ2-CG 4.19Å; M159-Y162 CarbonylContact O-C 3.57Å; M159-Y162 PolarHBondContact O-N 3.4Å; C160-Y162 PolarHBondContact O-N 3.49Å; Y162-G164 PolarHBondContact O-N 3.31Å; Y162-M165 HydrophobicContact CD1-CE 4.4Å; Y162-M165 HydrophobicContact CD1-SD 3.47Å; Y162-M165 WeakPolarHBondContact CD1-SD 3.38Å; Y162-M165 HydrophobicContact CE1-SD 4.12Å; Y162-M165 HydrophobicContact CG-SD 4.27Å; Y162-M165 WeakPolarHBondContact O-CB 3.33Å; Y162-M165 WeakPolarHBondContact O-CG 3.49Å; Y162-M165 PolarHBondContact O-N 3.21Å; Y162-M165 VanDerWaalsContact O-N 3.08Å; Y162-L167 VanDerWaalsContact CB-CD1 3.46Å; Y162-L167 HydrophobicContact CG-CD1 4.23Å
163	R	87.8	Confident	92.9	Very high	176 Å²	176	39.7 Å²	39.7	66%	0.664	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	128.1	-179.2	-167.9	179.5	74.4	178.1	4.1	110.9	M159 C160 M165	M159-R163 PolarHBondContact O-N 3.37Å; M159-R163 VanDerWaalsContact O-N 3.13Å; C160-R163 WeakPolarHBondContact O-CB 3.18Å; C160-R163 PolarHBondContact O-N 3.35Å; R163-M165 VanDerWaalsContact C-N 3.35Å
164	G	83.1	Confident	92.8	Very high	63 Å²	63	34.7 Å²	34.7	65%	0.649	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.1	4.2	-178.8	0	0	0	0	0	114.8	T51 Y162 G166	T51-G164 PolarHBondContact OG1-O 3.25Å; Y162-G164 PolarHBondContact O-N 3.31Å; G164-G166 VanDerWaalsContact C-N 3.32Å
165	M	86.4	Confident	92.8	Very high	73 Å²	73	32.1 Å²	32.1	36%	0.36	18%	0.182	S	C	.	.	S	Bend	trans	-90	7.6	175.3	-58.2	-166.7	-171.4	0	0	113.8	Y162 R163	Y162-M165 HydrophobicContact CD1-CE 4.4Å; Y162-M165 HydrophobicContact CD1-SD 3.47Å; Y162-M165 WeakPolarHBondContact CD1-SD 3.38Å; Y162-M165 HydrophobicContact CE1-SD 4.12Å; Y162-M165 HydrophobicContact CG-SD 4.27Å; Y162-M165 WeakPolarHBondContact O-CB 3.33Å; Y162-M165 WeakPolarHBondContact O-CG 3.49Å; Y162-M165 PolarHBondContact O-N 3.21Å; Y162-M165 VanDerWaalsContact O-N 3.08Å; R163-M165 VanDerWaalsContact C-N 3.35Å
166	G	84.6	Confident	92.8	Very high	37 Å²	37	34.6 Å²	34.6	38%	0.381	19%	0.191	S	C	.	.			trans	79.6	25.1	178.3	0	0	0	0	0	114.8	G164	G164-G166 VanDerWaalsContact C-N 3.32Å
167	L	88.3	Confident	92.7	Very high	27 Å²	27	35.9 Å²	35.9	14%	0.141	20%	0.198	C	C	.	.			trans	-69.4	146.1	166.4	-62.4	-175.1	0	0	0	109.9	W127 M159 Y162 E188	W127-L167 HydrophobicContact CZ2-CD1 4.49Å; M159-L167 HydrophobicContact CE-CD1 4.4Å; M159-L167 HydrophobicContact SD-CD1 4.12Å; Y162-L167 VanDerWaalsContact CB-CD1 3.46Å; Y162-L167 HydrophobicContact CG-CD1 4.23Å; L167-E188 HydrophobicContact CB-CB 4.29Å; L167-E188 WeakPolarHBondContact O-CB 3.3Å; L167-E188 WeakPolarHBondContact O-CG 3.37Å
168	S	90.8	Very high	92.6	Very high	9 Å²	9	40 Å²	40	6%	0.063	21%	0.212	C	C	.	.			trans	-131.8	116.2	166.4	-177.2	0	0	0	0	111.2	H71 C120 D123	H71-S168 PolarHBondContact CD2-OG 2.76Å; H71-S168 PolarHBondContact CE1-OG 2.74Å; H71-S168 VanDerWaalsContact CE1-OG 3.3Å; H71-S168 VanDerWaalsContact NE2-CB 3.27Å; H71-S168 WeakPolarHBondContact NE2-CB 3.35Å; H71-S168 PolarHBondContact NE2-OG 3.4Å; C120-S168 WeakPolarHBondContact CB-O 3.23Å; C120-S168 PolarHBondContact N-O 3.33Å; D123-S168 PolarHBondContact OD2-N 2.79Å; D123-S168 VanDerWaalsContact OD2-N 3.08Å
169	M	92	Very high	92.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-157.7	109.4	-176.3	-174.8	-86.9	-68	0	0	110.3	C124 L155 M159 S171 V186 D187 E188	C124-M169 HydrophobicContact CB-CG 4.32Å; C124-M169 VanDerWaalsContact SG-CG 3.54Å; L155-M169 HydrophobicContact CD1-CE 4.12Å; L155-M169 HydrophobicContact CD2-CE 4Å; L155-M169 HydrophobicContact CG-CE 4Å; M159-M169 HydrophobicContact CE-CE 4.12Å; M159-M169 HydrophobicContact CG-CE 3.39Å; M159-M169 HydrophobicContact SD-CE 3.32Å; M159-M169 WeakPolarHBondContact SD-CE 3.32Å; M169-S171 WeakPolarHBondContact SD-CB 3.31Å; M169-S171 PolarHBondContact SD-N 3.38Å; M169-S171 VanDerWaalsContact SD-N 3.44Å; M169-V186 HydrophobicContact CE-CG1 4.36Å; M169-D187 CarbonylContact O-C 3.51Å; M169-D187 VanDerWaalsContact O-CA 3.22Å; M169-D187 WeakPolarHBondContact O-CA 3.46Å; M169-E188 PolarHBondContact N-OE2 3.1Å; M169-E188 PolarHBondContact O-N 3.2Å
170	G	94.4	Very high	92.7	Very high	4 Å²	4	48.7 Å²	48.7	4%	0.041	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	100.7	164.1	0	0	0	0	0	109.7	S118	S118-G170 WeakPolarHBondContact CB-O 3.33Å; S118-G170 PolarHBondContact N-O 3.08Å; S118-G170 PolarHBondContact O-N 3.33Å; S118-G170 PolarHBondContact OG-O 3Å
171	S	96.4	Very high	92.9	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	140.7	-179.9	-176.8	0	0	0	0	111.7	T116 E128 M169 V186	T116-S171 VanDerWaalsContact O-CA 3.24Å; T116-S171 WeakPolarHBondContact O-CA 3.48Å; T116-S171 VanDerWaalsContact O-CB 3.24Å; T116-S171 WeakPolarHBondContact O-CB 3.44Å; T116-S171 PolarHBondContact O-OG 3.37Å; E128-S171 VanDerWaalsContact OE1-CB 3.29Å; E128-S171 WeakPolarHBondContact OE1-CB 3.37Å; E128-S171 PolarHBondContact OE1-OG 3.07Å; M169-S171 WeakPolarHBondContact SD-CB 3.31Å; M169-S171 PolarHBondContact SD-N 3.38Å; M169-S171 VanDerWaalsContact SD-N 3.44Å; S171-V186 PolarHBondContact N-O 3.35Å; S171-V186 PolarHBondContact O-N 3.08Å
172	M	98.3	Very high	93.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	116.6	168.6	-64.3	172.7	-71.1	0	0	108.8	T75 A77 G115 T116 L183 Y184 Y185 F198 T200	T75-M172 WeakPolarHBondContact OG1-CE 3.38Å; A77-M172 HydrophobicContact CB-CE 4.3Å; A77-M172 HydrophobicContact CB-SD 3.9Å; G115-M172 WeakPolarHBondContact CA-O 3.39Å; T116-M172 HydrophobicContact CG2-CB 4.25Å; T116-M172 HydrophobicContact CG2-CE 3.9Å; T116-M172 PolarHBondContact N-O 2.91Å; T116-M172 VanDerWaalsContact N-O 3.15Å; T116-M172 WeakPolarHBondContact OG1-CB 3.33Å; T116-M172 VanDerWaalsContact OG1-CE 3.29Å; T116-M172 WeakPolarHBondContact OG1-CE 3.3Å; T116-M172 PolarHBondContact OG1-N 3.41Å; M172-L183 HydrophobicContact CB-CD1 4.21Å; M172-Y184 CarbonylContact C-O 3.48Å; M172-Y184 VanDerWaalsContact CA-O 3.3Å; M172-Y184 WeakPolarHBondContact CA-O 3.41Å; M172-Y185 HydrophobicContact CG-CD2 4.31Å; M172-F198 HydrophobicContact CG-CB 4.16Å; M172-F198 HydrophobicContact SD-CB 3.41Å; M172-F198 WeakPolarHBondContact SD-CB 3.45Å; M172-T200 HydrophobicContact CE-CG2 4.19Å; M172-T200 HydrophobicContact CG-CG2 4.07Å; M172-T200 HydrophobicContact SD-CG2 4.08Å
173	I	98.4	Very high	93.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	111.5	174.3	-55.7	-56.5	0	0	0	108.1	I109 L113 L131 V148 L155 L183 Y184 V186	I109-I173 HydrophobicContact CD1-CD1 4Å; L113-I173 HydrophobicContact CD1-CG2 3.72Å; L113-I173 HydrophobicContact CD2-CG2 4.21Å; L113-I173 HydrophobicContact CG-CG2 4.06Å; L131-I173 HydrophobicContact CD2-CD1 4.05Å; V148-I173 HydrophobicContact CG1-CG2 4.08Å; L155-I173 HydrophobicContact CD2-CD1 3.88Å; L155-I173 HydrophobicContact CD2-CG1 4.13Å; I173-L183 WeakPolarHBondContact O-CA 3.45Å; I173-Y184 PolarHBondContact N-O 2.7Å; I173-Y184 PolarHBondContact O-N 3.23Å; I173-V186 HydrophobicContact CG1-CG2 4.42Å
174	C	97.6	Very high	94.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	143.4	177.1	70.2	0	0	0	0	111.3	V84 L113 L114 G182 L183	V84-C174 HydrophobicContact CG1-CB 4.09Å; L113-C174 CarbonylContact C-O 3.56Å; L113-C174 WeakPolarHBondContact CA-O 3.48Å; L114-C174 PolarHBondContact N-O 2.89Å; L114-C174 PolarHBondContact O-N 3.3Å; C174-G182 WeakPolarHBondContact CA-O 3.46Å; C174-L183 HydrophobicContact CB-CD1 3.73Å
175	G	97.7	Very high	94.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.8	177.9	-177.1	0	0	0	0	0	112.2	Y112 G182	Y112-G175 WeakPolarHBondContact O-CA 3.49Å; G175-G182 PolarHBondContact N-O 3.35Å; G175-G182 PolarHBondContact O-N 3.34Å
176	W	97.1	Very high	95.4	Very high	51 Å²	51	31.3 Å²	31.3	19%	0.193	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	124.2	172.9	-157.5	-68.6	0	0	0	109.7	Y112 P181 M251 K252 E253	Y112-W176 PolarHBondContact O-N 3.15Å; W176-P181 HydrophobicContact CE3-CB 4.16Å; W176-P181 HydrophobicContact CZ3-CB 4.34Å; W176-M251 HydrophobicContact CB-CG 4.39Å; W176-K252 WeakPolarHBondContact CB-O 3.32Å; W176-E253 HydrophobicContact CD2-CB 4.01Å; W176-E253 HydrophobicContact CE3-CB 4.46Å; W176-E253 HydrophobicContact CG-CB 4.39Å; W176-E253 HydrophobicContact CH2-CB 4.36Å; W176-E253 HydrophobicContact CZ2-CB 3.9Å; W176-E253 HydrophobicContact CZ2-CG 4.42Å
177	D	95	Very high	95.9	Very high	28 Å²	28	30.6 Å²	30.6	15%	0.15	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	-172.5	175.7	70.4	26.2	0	0	0	111.8	S147 V148 K179 G180	S147-D177 WeakPolarHBondContact CB-OD2 2.87Å; V148-D177 HydrophobicContact CG2-CB 4.09Å; V148-D177 PolarHBondContact N-OD2 2.67Å; D177-K179 PolarHBondContact O-N 3.03Å; D177-K179 VanDerWaalsContact O-N 3.09Å; D177-K179 WeakPolarHBondContact OD1-CA 3.15Å; D177-K179 WeakPolarHBondContact OD1-CB 3.27Å; D177-K179 PolarHBondContact OD1-N 2.81Å; D177-G180 PolarHBondContact N-O 2.88Å; D177-G180 WeakPolarHBondContact O-CA 3.17Å; D177-G180 PolarHBondContact O-N 2.95Å
178	K	94.5	Very high	96.1	Very high	170 Å²	170	31.1 Å²	31.1	74%	0.739	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-22.5	-179.6	-64.5	179.6	179.1	174.7	0	113.8	E144 G180	E144-K178 WeakPolarHBondContact OE1-CE 3.39Å; E144-K178 IonicContact OE1-NZ 2.82Å; E144-K178 PolarHBondContact OE1-NZ 2.93Å; E144-K178 IonicContact OE2-NZ 3.88Å; E144-K178 PolarHBondContact OE2-NZ 3.15Å; K178-G180 VanDerWaalsContact C-N 3.31Å
179	K	94.1	Very high	96.1	Very high	191 Å²	191	36.2 Å²	36.2	83%	0.83	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-0.3	176.5	-61.6	-174.5	176.7	-177.8	0	112.4	D177	D177-K179 PolarHBondContact O-N 3.03Å; D177-K179 VanDerWaalsContact O-N 3.09Å; D177-K179 WeakPolarHBondContact OD1-CA 3.15Å; D177-K179 WeakPolarHBondContact OD1-CB 3.27Å; D177-K179 PolarHBondContact OD1-N 2.81Å
180	G	95.7	Very high	96.1	Very high	13 Å²	13	37 Å²	37	13%	0.134	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	98.5	-151.9	-176.6	0	0	0	0	0	112.8	D177 K178 G182	D177-G180 PolarHBondContact N-O 2.88Å; D177-G180 WeakPolarHBondContact O-CA 3.17Å; D177-G180 PolarHBondContact O-N 2.95Å; K178-G180 VanDerWaalsContact C-N 3.31Å; G180-G182 PolarHBondContact O-N 2.84Å
181	P	97.4	Very high	96.2	Very high	41 Å²	41	39.4 Å²	39.4	27%	0.266	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	119.9	-177.5	25.3	-32.5	0	0	0	112.1	K79 V84 W176	K79-P181 WeakPolarHBondContact CE-O 3.39Å; K79-P181 PolarHBondContact NZ-O 3.44Å; V84-P181 HydrophobicContact CG2-CB 3.59Å; W176-P181 HydrophobicContact CE3-CB 4.16Å; W176-P181 HydrophobicContact CZ3-CB 4.34Å
182	G	97.8	Very high	96.2	Very high	6 Å²	6	43 Å²	43	6%	0.062	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	137.1	177.5	0	0	0	0	0	111.8	C174 G175 G180	C174-G182 WeakPolarHBondContact CA-O 3.46Å; G175-G182 PolarHBondContact N-O 3.35Å; G175-G182 PolarHBondContact O-N 3.34Å; G180-G182 PolarHBondContact O-N 2.84Å
183	L	98.5	Very high	96.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	127.3	172.9	-179	64.3	0	0	0	108.1	A77 K79 V84 M172 I173 C174 S194 F198	A77-L183 HydrophobicContact CB-CD1 3.68Å; A77-L183 HydrophobicContact CB-CD2 4.09Å; K79-L183 HydrophobicContact CD-CB 4.28Å; K79-L183 HydrophobicContact CG-CB 4.03Å; K79-L183 HydrophobicContact CG-CD2 4.32Å; V84-L183 HydrophobicContact CG1-CD1 4.44Å; M172-L183 HydrophobicContact CB-CD1 4.21Å; I173-L183 WeakPolarHBondContact O-CA 3.45Å; C174-L183 HydrophobicContact CB-CD1 3.73Å; L183-S194 PolarHBondContact O-OG 2.91Å; L183-F198 HydrophobicContact CD2-CD2 3.92Å; L183-F198 HydrophobicContact CG-CD2 3.96Å; L183-F198 HydrophobicContact CG-CE2 4.39Å
184	Y	98.7	Very high	96.2	Very high	38 Å²	38	50.5 Å²	50.5	15%	0.149	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	131.2	179.5	-72.6	-90.3	0	0	0	110.8	V148 S149 S152 M172 I173 R192 L193 S194	V148-Y184 HydrophobicContact CB-CE2 4.46Å; V148-Y184 HydrophobicContact CG1-CD2 3.86Å; V148-Y184 HydrophobicContact CG1-CE2 4.23Å; S149-Y184 WeakPolarHBondContact CB-OH 3.35Å; S152-Y184 VanDerWaalsContact OG-CG 3.31Å; M172-Y184 CarbonylContact C-O 3.48Å; M172-Y184 VanDerWaalsContact CA-O 3.3Å; M172-Y184 WeakPolarHBondContact CA-O 3.41Å; I173-Y184 PolarHBondContact N-O 2.7Å; I173-Y184 PolarHBondContact O-N 3.23Å; Y184-R192 HydrophobicContact CD1-CG 4.37Å; Y184-R192 VanDerWaalsContact CE1-CZ 3.47Å; Y184-L193 CarbonylContact C-O 3.46Å; Y184-L193 WeakPolarHBondContact CA-O 3.45Å; Y184-S194 WeakPolarHBondContact CE1-OG 3.29Å
185	Y	98.4	Very high	96.2	Very high	42 Å²	42	51.3 Å²	51.3	17%	0.165	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	132.3	165.8	173.6	-106.9	0	0	0	109.7	M172 D187 T191 R192 L193 T200	M172-Y185 HydrophobicContact CG-CD2 4.31Å; Y185-D187 HydrophobicContact CE1-CB 3.83Å; Y185-D187 PolarHBondContact OH-OD2 3.2Å; Y185-T191 HydrophobicContact CD1-CG2 4.5Å; Y185-T191 HydrophobicContact CE1-CG2 4.43Å; Y185-R192 CarbonylContact O-C 3.48Å; Y185-R192 WeakPolarHBondContact O-CA 3.48Å; Y185-L193 HydrophobicContact CD1-CD1 4.26Å; Y185-L193 PolarHBondContact N-O 2.92Å; Y185-L193 PolarHBondContact O-N 3.37Å; Y185-T200 HydrophobicContact CD2-CG2 3.62Å; Y185-T200 HydrophobicContact CE2-CG2 3.41Å; Y185-T200 VanDerWaalsContact CE2-CG2 3.41Å
186	V	98.1	Very high	96.1	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	136.4	175.9	-175.5	0	0	0	0	109.3	L155 M169 S171 I173 T191 R192	L155-V186 HydrophobicContact CB-CG1 4.43Å; L155-V186 HydrophobicContact CD2-CB 4.26Å; L155-V186 HydrophobicContact CD2-CG1 4.16Å; L155-V186 HydrophobicContact CG-CG1 4.05Å; M169-V186 HydrophobicContact CE-CG1 4.36Å; S171-V186 PolarHBondContact N-O 3.35Å; S171-V186 PolarHBondContact O-N 3.08Å; I173-V186 HydrophobicContact CG1-CG2 4.42Å; V186-T191 WeakPolarHBondContact CA-O 3.11Å; V186-R192 HydrophobicContact CG2-CG 4.43Å
187	D	94.8	Very high	96.2	Very high	22 Å²	22	55.3 Å²	55.3	12%	0.118	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	157.6	-173.4	-168.3	-60.2	0	0	0	111	M169 Y185 H189 G190 T191	M169-D187 CarbonylContact O-C 3.51Å; M169-D187 VanDerWaalsContact O-CA 3.22Å; M169-D187 WeakPolarHBondContact O-CA 3.46Å; Y185-D187 HydrophobicContact CE1-CB 3.83Å; Y185-D187 PolarHBondContact OH-OD2 3.2Å; D187-H189 PolarHBondContact O-N 2.74Å; D187-H189 VanDerWaalsContact O-N 3.14Å; D187-H189 IonicContact OD1-CD2 3.94Å; D187-H189 PolarHBondContact OD1-CD2 3.45Å; D187-H189 VanDerWaalsContact OD1-CD2 3.22Å; D187-H189 IonicContact OD1-CG 2.82Å; D187-H189 PolarHBondContact OD1-N 3.1Å; D187-G190 PolarHBondContact O-N 3.06Å; D187-T191 PolarHBondContact N-O 2.94Å; D187-T191 VanDerWaalsContact N-O 3.17Å
188	E	91.9	Very high	96.4	Very high	38 Å²	38	55.3 Å²	55.3	18%	0.178	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-28.3	171.1	63.6	-97.7	-144	0	0	113.8	L167 M169 G190	L167-E188 HydrophobicContact CB-CB 4.29Å; L167-E188 WeakPolarHBondContact O-CB 3.3Å; L167-E188 WeakPolarHBondContact O-CG 3.37Å; M169-E188 PolarHBondContact N-OE2 3.1Å; M169-E188 PolarHBondContact O-N 3.2Å; E188-G190 PolarHBondContact O-N 3.25Å
189	H	91.6	Very high	96.5	Very high	116 Å²	116	47.5 Å²	47.5	54%	0.537	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-6.7	178.4	-64.2	-52.1	0	0	0	113.4	D187 T191	D187-H189 PolarHBondContact O-N 2.74Å; D187-H189 VanDerWaalsContact O-N 3.14Å; D187-H189 IonicContact OD1-CD2 3.94Å; D187-H189 PolarHBondContact OD1-CD2 3.45Å; D187-H189 VanDerWaalsContact OD1-CD2 3.22Å; D187-H189 IonicContact OD1-CG 2.82Å; D187-H189 PolarHBondContact OD1-N 3.1Å; H189-T191 VanDerWaalsContact C-N 3.34Å
190	G	90.9	Very high	96.6	Very high	17 Å²	17	38.7 Å²	38.7	18%	0.175	21%	0.211	C	C	.	.			trans	85.6	8.3	-173.1	0	0	0	0	0	113.5	C160 D187 E188 R192	C160-G190 VanDerWaalsContact SG-CA 3.59Å; D187-G190 PolarHBondContact O-N 3.06Å; E188-G190 PolarHBondContact O-N 3.25Å; G190-R192 PolarHBondContact O-N 3.01Å
191	T	96.6	Very high	96.5	Very high	55 Å²	55	39 Å²	39	34%	0.337	22%	0.215	S	C	.	.			trans	-59.4	135	172.1	-56.1	0	0	0	0	109	Y185 V186 D187 H189 L193	Y185-T191 HydrophobicContact CD1-CG2 4.5Å; Y185-T191 HydrophobicContact CE1-CG2 4.43Å; V186-T191 WeakPolarHBondContact CA-O 3.11Å; D187-T191 PolarHBondContact N-O 2.94Å; D187-T191 VanDerWaalsContact N-O 3.17Å; H189-T191 VanDerWaalsContact C-N 3.34Å; T191-L193 HydrophobicContact CG2-CD1 3.97Å; T191-L193 HydrophobicContact CG2-CD2 4.33Å; T191-L193 HydrophobicContact CG2-CG 3.81Å
192	R	97.9	Very high	96.3	Very high	74 Å²	74	39.1 Å²	39.1	28%	0.279	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	108.6	176.7	-179.4	-173.2	173.2	-88.1	5.4	109.9	S149 S152 Y184 Y185 V186 G190	S149-R192 PolarHBondContact O-NH2 2.72Å; S152-R192 PolarHBondContact OG-NE 2.73Å; S152-R192 PolarHBondContact OG-NH2 3.07Å; Y184-R192 HydrophobicContact CD1-CG 4.37Å; Y184-R192 VanDerWaalsContact CE1-CZ 3.47Å; Y185-R192 CarbonylContact O-C 3.48Å; Y185-R192 WeakPolarHBondContact O-CA 3.48Å; V186-R192 HydrophobicContact CG2-CG 4.43Å; G190-R192 PolarHBondContact O-N 3.01Å
193	L	98.2	Very high	96.2	Very high	88 Å²	88	38.8 Å²	38.8	46%	0.461	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	136.6	-175.5	-58.2	175.1	0	0	0	110.2	Y184 Y185 T191 F198	Y184-L193 CarbonylContact C-O 3.46Å; Y184-L193 WeakPolarHBondContact CA-O 3.45Å; Y185-L193 HydrophobicContact CD1-CD1 4.26Å; Y185-L193 PolarHBondContact N-O 2.92Å; Y185-L193 PolarHBondContact O-N 3.37Å; T191-L193 HydrophobicContact CG2-CD1 3.97Å; T191-L193 HydrophobicContact CG2-CD2 4.33Å; T191-L193 HydrophobicContact CG2-CG 3.81Å; L193-F198 HydrophobicContact CB-CE1 4.39Å; L193-F198 HydrophobicContact CB-CZ 3.99Å
194	S	98.1	Very high	96	Very high	70 Å²	70	41.3 Å²	41.3	49%	0.49	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	136.7	166.4	-156.7	0	0	0	0	108.4	L183 Y184	L183-S194 PolarHBondContact O-OG 2.91Å; Y184-S194 WeakPolarHBondContact CE1-OG 3.29Å
195	G	96.5	Very high	95.9	Very high	18 Å²	18	43.7 Å²	43.7	19%	0.186	25%	0.246	C	C	.	.			trans	-160.2	169.1	-178.7	0	0	0	0	0	111	K79	K79-G195 VanDerWaalsContact CE-O 3.3Å; K79-G195 WeakPolarHBondContact CE-O 3.37Å
196	N	97.4	Very high	95.9	Very high	99 Å²	99	46.7 Å²	46.7	53%	0.529	26%	0.257	S	S	.	.	S	Bend	trans	-88	-19.6	177.6	-67.6	-17.1	0	0	0	112.1	F78 K79	F78-N196 CarbonylContact C-O 3.46Å; F78-N196 WeakPolarHBondContact CA-O 3.44Å; K79-N196 PolarHBondContact N-O 3.27Å
197	M	98.1	Very high	95.9	Very high	36 Å²	36	46.7 Å²	46.7	18%	0.177	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	135.7	-173.6	178.6	168.6	73.5	0	0	109.5	A77 F78 Y208 M211 D212 Y215	A77-M197 CarbonylContact O-C 3.52Å; A77-M197 WeakPolarHBondContact O-CA 3.31Å; F78-M197 HydrophobicContact CB-CB 4.05Å; F78-M197 HydrophobicContact CB-CG 3.97Å; F78-M197 HydrophobicContact CB-SD 4.47Å; M197-Y208 HydrophobicContact CG-CE1 4.5Å; M197-M211 HydrophobicContact CE-CE 4.5Å; M197-M211 HydrophobicContact CG-CE 3.33Å; M197-M211 HydrophobicContact CG-CG 4.34Å; M197-M211 HydrophobicContact CG-SD 3.61Å; M197-M211 HydrophobicContact SD-CB 4.41Å; M197-M211 HydrophobicContact SD-CE 3.55Å; M197-M211 VanDerWaalsContact SD-CE 3.55Å; M197-M211 HydrophobicContact SD-CG 3.49Å; M197-M211 WeakPolarHBondContact SD-CG 3.08Å; M197-M211 HydrophobicContact SD-SD 3.6Å; M197-D212 WeakPolarHBondContact CE-OD1 3.25Å; M197-Y215 HydrophobicContact SD-CG 4.4Å
198	F	98.5	Very high	96.1	Very high	27 Å²	27	48.6 Å²	48.6	12%	0.118	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	154	176.5	-68.6	-63.7	0	0	0	110.2	L76 A77 M172 L183 L193 Y208	L76-F198 CarbonylContact C-O 3.34Å; L76-F198 VanDerWaalsContact CA-O 3.31Å; L76-F198 WeakPolarHBondContact CA-O 3.28Å; A77-F198 PolarHBondContact N-O 2.91Å; A77-F198 PolarHBondContact O-N 3.23Å; M172-F198 HydrophobicContact CG-CB 4.16Å; M172-F198 HydrophobicContact SD-CB 3.41Å; M172-F198 WeakPolarHBondContact SD-CB 3.45Å; L183-F198 HydrophobicContact CD2-CD2 3.92Å; L183-F198 HydrophobicContact CG-CD2 3.96Å; L183-F198 HydrophobicContact CG-CE2 4.39Å; L193-F198 HydrophobicContact CB-CE1 4.39Å; L193-F198 HydrophobicContact CB-CZ 3.99Å; F198-Y208 WeakPolarHBondContact CA-OH 3.23Å
199	S	97.8	Very high	96.3	Very high	6 Å²	6	49.2 Å²	49.2	4%	0.042	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	140.5	165.9	-176.4	0	0	0	0	110	T75 N204 A207 Y208	T75-S199 CarbonylContact O-C 3.5Å; T75-S199 WeakPolarHBondContact O-CA 3.47Å; T75-S199 WeakPolarHBondContact O-CB 3.14Å; T75-S199 PolarHBondContact O-OG 2.81Å; S199-N204 WeakPolarHBondContact OG-CA 3.46Å; S199-A207 WeakPolarHBondContact OG-CB 3.29Å; S199-Y208 VanDerWaalsContact N-CZ 3.27Å; S199-Y208 PolarHBondContact N-OH 3Å
200	T	96.2	Very high	96.6	Very high	6 Å²	6	45.2 Å²	45.2	4%	0.037	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	162.6	-174.1	78.6	0	0	0	0	111.3	T75 S118 M172 Y185	T75-T200 PolarHBondContact N-O 2.87Å; T75-T200 PolarHBondContact O-N 2.97Å; T75-T200 PolarHBondContact OG1-OG1 2.85Å; S118-T200 VanDerWaalsContact CB-OG1 3.27Å; S118-T200 WeakPolarHBondContact CB-OG1 3.37Å; S118-T200 WeakPolarHBondContact OG-CB 3.32Å; S118-T200 PolarHBondContact OG-OG1 3.44Å; M172-T200 HydrophobicContact CE-CG2 4.19Å; M172-T200 HydrophobicContact CG-CG2 4.07Å; M172-T200 HydrophobicContact SD-CG2 4.08Å; Y185-T200 HydrophobicContact CD2-CG2 3.62Å; Y185-T200 HydrophobicContact CE2-CG2 3.41Å; Y185-T200 VanDerWaalsContact CE2-CG2 3.41Å
201	G	93.8	Very high	97	Very high	20 Å²	20	44.4 Å²	44.4	21%	0.206	26%	0.255	C	S	.	.	S	Bend	trans	89.8	179.9	-175.1	0	0	0	0	0	113.6	T73 G203 N204	T73-G201 CarbonylContact O-C 3.35Å; T73-G201 WeakPolarHBondContact O-CA 3.45Å; G201-G203 VanDerWaalsContact C-N 3.32Å; G201-G203 PolarHBondContact O-N 3.18Å; G201-N204 VanDerWaalsContact O-CB 3.29Å; G201-N204 WeakPolarHBondContact O-CB 3.27Å; G201-N204 VanDerWaalsContact O-CG 3.26Å; G201-N204 PolarHBondContact O-N 2.93Å; G201-N204 PolarHBondContact O-OD1 2.92Å
202	S	93.3	Very high	97	Very high	43 Å²	43	46.2 Å²	46.2	30%	0.301	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-36.1	-176.6	51.3	0	0	0	0	114.6	H71 G72 T73 N204 D239	H71-S202 WeakPolarHBondContact O-CB 3.08Å; H71-S202 PolarHBondContact O-N 3.08Å; H71-S202 PolarHBondContact O-OG 3.48Å; G72-S202 WeakPolarHBondContact CA-OG 3.46Å; T73-S202 PolarHBondContact N-OG 2.83Å; T73-S202 PolarHBondContact O-N 3.22Å; T73-S202 PolarHBondContact O-OG 2.88Å; S202-N204 VanDerWaalsContact C-N 3.34Å; S202-D239 WeakPolarHBondContact CB-OD2 3.34Å; S202-D239 PolarHBondContact OG-OD2 3.31Å
203	G	94.7	Very high	97	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	11.8	-178.5	0	0	0	0	0	114.7	T73 T74 G201 T205 Y206 A207 D239	T73-G203 PolarHBondContact O-N 3.4Å; T74-G203 VanDerWaalsContact OG1-CA 3.25Å; T74-G203 WeakPolarHBondContact OG1-CA 3.38Å; G201-G203 VanDerWaalsContact C-N 3.32Å; G201-G203 PolarHBondContact O-N 3.18Å; G203-T205 VanDerWaalsContact C-N 3.34Å; G203-T205 PolarHBondContact O-N 2.94Å; G203-Y206 PolarHBondContact O-N 3.45Å; G203-A207 PolarHBondContact O-N 3.31Å; G203-D239 PolarHBondContact N-OD2 2.81Å
204	N	95.2	Very high	96.9	Very high	53 Å²	53	44.4 Å²	44.4	28%	0.283	27%	0.272	S	S	.	.	H	α-helix	trans	-58.5	-40.3	-173.5	70.5	-25.2	0	0	0	113.9	S199 G201 S202 Y206 A207 Y208	S199-N204 WeakPolarHBondContact OG-CA 3.46Å; G201-N204 VanDerWaalsContact O-CB 3.29Å; G201-N204 WeakPolarHBondContact O-CB 3.27Å; G201-N204 VanDerWaalsContact O-CG 3.26Å; G201-N204 PolarHBondContact O-N 2.93Å; G201-N204 PolarHBondContact O-OD1 2.92Å; S202-N204 VanDerWaalsContact C-N 3.34Å; N204-Y206 VanDerWaalsContact C-N 3.35Å; N204-Y206 PolarHBondContact O-N 3.17Å; N204-A207 PolarHBondContact O-N 3Å; N204-Y208 WeakPolarHBondContact O-CD2 3.46Å; N204-Y208 PolarHBondContact O-N 3.33Å
205	T	96.9	Very high	96.9	Very high	88 Å²	88	43.7 Å²	43.7	54%	0.54	26%	0.259	S	S	.	.	H	α-helix	trans	-63.8	-39.9	-178.3	52.3	0	0	0	0	112.1	G203 G209	G203-T205 VanDerWaalsContact C-N 3.34Å; G203-T205 PolarHBondContact O-N 2.94Å; T205-G209 PolarHBondContact O-N 3.14Å
206	Y	97.8	Very high	96.9	Very high	105 Å²	105	48 Å²	48	41%	0.412	27%	0.269	S	S	.	.	H	α-helix	trans	-67.8	-39.7	176	-53.4	-61.4	0	0	0	111.7	G203 N204 G209 V210 R238 D239	G203-Y206 PolarHBondContact O-N 3.45Å; N204-Y206 VanDerWaalsContact C-N 3.35Å; N204-Y206 PolarHBondContact O-N 3.17Å; Y206-G209 PolarHBondContact O-N 3.44Å; Y206-V210 PolarHBondContact O-N 3.46Å; Y206-R238 HydrophobicContact CD1-CB 3.84Å; Y206-R238 HydrophobicContact CD1-CG 4.18Å; Y206-R238 HydrophobicContact CD2-CB 3.97Å; Y206-R238 HydrophobicContact CE1-CB 3.81Å; Y206-R238 HydrophobicContact CE1-CG 4.31Å; Y206-R238 HydrophobicContact CE2-CB 3.94Å; Y206-R238 HydrophobicContact CG-CB 3.92Å; Y206-D239 HydrophobicContact CD2-CB 4.08Å; Y206-D239 HydrophobicContact CE2-CB 3.98Å
207	A	97.8	Very high	96.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-63.3	-45.5	176.3	0	0	0	0	0	111.5	T74 L76 S199 G203 N204 G209 V210 M211 A235	T74-A207 HydrophobicContact CG2-CB 3.85Å; L76-A207 HydrophobicContact CD2-CB 4.06Å; S199-A207 WeakPolarHBondContact OG-CB 3.29Å; G203-A207 PolarHBondContact O-N 3.31Å; N204-A207 PolarHBondContact O-N 3Å; A207-G209 PolarHBondContact O-N 2.73Å; A207-V210 PolarHBondContact O-N 3.24Å; A207-M211 WeakPolarHBondContact O-CB 3.24Å; A207-M211 PolarHBondContact O-N 2.79Å; A207-A235 HydrophobicContact CB-CB 4.22Å
208	Y	98.3	Very high	96.7	Very high	62 Å²	62	50 Å²	50	24%	0.243	29%	0.286	C	S	.	.	H	α-helix	trans	-56	-47.8	174.6	-82.1	-63.4	0	0	0	111.9	M197 F198 S199 N204 V210 M211 D212	M197-Y208 HydrophobicContact CG-CE1 4.5Å; F198-Y208 WeakPolarHBondContact CA-OH 3.23Å; S199-Y208 VanDerWaalsContact N-CZ 3.27Å; S199-Y208 PolarHBondContact N-OH 3Å; N204-Y208 WeakPolarHBondContact O-CD2 3.46Å; N204-Y208 PolarHBondContact O-N 3.33Å; Y208-V210 VanDerWaalsContact C-N 3.3Å; Y208-V210 PolarHBondContact O-N 2.64Å; Y208-M211 HydrophobicContact CD1-CE 3.75Å; Y208-M211 HydrophobicContact CE1-CE 4Å; Y208-M211 PolarHBondContact O-N 2.97Å; Y208-M211 VanDerWaalsContact O-N 3.14Å; Y208-D212 VanDerWaalsContact O-CB 3.27Å; Y208-D212 WeakPolarHBondContact O-CB 3.24Å; Y208-D212 PolarHBondContact O-N 3Å; Y208-D212 VanDerWaalsContact O-OD2 3.13Å
209	G	97.9	Very high	96.6	Very high	50 Å²	50	48.9 Å²	48.9	52%	0.515	28%	0.281	S	S	.	.	H	α-helix	trans	-54.6	-42.3	-178.4	0	0	0	0	0	114.1	T205 Y206 A207 S213	T205-G209 PolarHBondContact O-N 3.14Å; Y206-G209 PolarHBondContact O-N 3.44Å; A207-G209 PolarHBondContact O-N 2.73Å; G209-S213 WeakPolarHBondContact O-CB 3.32Å; G209-S213 PolarHBondContact O-OG 3.49Å
210	V	97.9	Very high	96.6	Very high	33 Å²	33	50.8 Å²	50.8	20%	0.2	29%	0.294	C	S	.	.	H	α-helix	trans	-76	-45.4	176.5	178.8	0	0	0	0	111.1	Y206 A207 Y208 S213 G214 R230 A231 Y234	Y206-V210 PolarHBondContact O-N 3.46Å; A207-V210 PolarHBondContact O-N 3.24Å; Y208-V210 VanDerWaalsContact C-N 3.3Å; Y208-V210 PolarHBondContact O-N 2.64Å; V210-S213 PolarHBondContact O-N 2.67Å; V210-S213 PolarHBondContact O-OG 3.13Å; V210-G214 PolarHBondContact O-N 3.33Å; V210-R230 HydrophobicContact CG1-CB 4.35Å; V210-A231 HydrophobicContact CB-CB 4.17Å; V210-A231 HydrophobicContact CG1-CB 4.12Å; V210-Y234 HydrophobicContact CG1-CD2 4.24Å; V210-Y234 HydrophobicContact CG2-CD2 3.99Å; V210-Y234 HydrophobicContact CG2-CG 4.34Å
211	M	97.4	Very high	96.7	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-63.2	-49.4	-176.1	-170.6	172.1	47.1	0	0	111.7	L76 F78 M197 A207 Y208 S213 G214 Y215 A231	L76-M211 HydrophobicContact CB-CE 4.33Å; L76-M211 HydrophobicContact CB-SD 4.22Å; L76-M211 HydrophobicContact CD1-SD 4.02Å; L76-M211 HydrophobicContact CD2-SD 4.46Å; L76-M211 HydrophobicContact CG-SD 4.47Å; F78-M211 HydrophobicContact CB-SD 4.26Å; F78-M211 HydrophobicContact CD1-CG 4.31Å; F78-M211 HydrophobicContact CD1-SD 3.67Å; F78-M211 HydrophobicContact CE1-SD 4.46Å; F78-M211 HydrophobicContact CG-SD 4.31Å; M197-M211 HydrophobicContact CE-CE 4.5Å; M197-M211 HydrophobicContact CG-CE 3.33Å; M197-M211 HydrophobicContact CG-CG 4.34Å; M197-M211 HydrophobicContact CG-SD 3.61Å; M197-M211 HydrophobicContact SD-CB 4.41Å; M197-M211 HydrophobicContact SD-CE 3.55Å; M197-M211 VanDerWaalsContact SD-CE 3.55Å; M197-M211 HydrophobicContact SD-CG 3.49Å; M197-M211 WeakPolarHBondContact SD-CG 3.08Å; M197-M211 HydrophobicContact SD-SD 3.6Å; A207-M211 WeakPolarHBondContact O-CB 3.24Å; A207-M211 PolarHBondContact O-N 2.79Å; Y208-M211 HydrophobicContact CD1-CE 3.75Å; Y208-M211 HydrophobicContact CE1-CE 4Å; Y208-M211 PolarHBondContact O-N 2.97Å; Y208-M211 VanDerWaalsContact O-N 3.14Å; M211-S213 VanDerWaalsContact C-N 3.26Å; M211-S213 PolarHBondContact O-N 3.14Å; M211-G214 PolarHBondContact O-N 3.24Å; M211-Y215 WeakPolarHBondContact O-CB 3.25Å; M211-Y215 PolarHBondContact O-N 2.93Å; M211-A231 HydrophobicContact CB-CB 4.31Å
212	D	97.9	Very high	96.9	Very high	93 Å²	93	57.9 Å²	57.9	50%	0.497	33%	0.325	S	S	.	.	H	α-helix	trans	-59.4	-35.4	177.5	-79.1	-56.9	0	0	0	112.4	M197 Y208	M197-D212 WeakPolarHBondContact CE-OD1 3.25Å; Y208-D212 VanDerWaalsContact O-CB 3.27Å; Y208-D212 WeakPolarHBondContact O-CB 3.24Å; Y208-D212 PolarHBondContact O-N 3Å; Y208-D212 VanDerWaalsContact O-OD2 3.13Å
213	S	97.4	Very high	97.1	Very high	102 Å²	102	59.7 Å²	59.7	71%	0.713	33%	0.329	S	S	*	.	H	α-helix	trans	-70.3	-32.6	-179.4	74.6	0	0	0	0	113.6	G209 V210 M211	G209-S213 WeakPolarHBondContact O-CB 3.32Å; G209-S213 PolarHBondContact O-OG 3.49Å; V210-S213 PolarHBondContact O-N 2.67Å; V210-S213 PolarHBondContact O-OG 3.13Å; M211-S213 VanDerWaalsContact C-N 3.26Å; M211-S213 PolarHBondContact O-N 3.14Å
214	G	95.4	Very high	97.3	Very high	21 Å²	21	59.7 Å²	59.7	22%	0.216	33%	0.329	C	S	.	.	H	α-helix	trans	-105.8	-10.2	-175.1	0	0	0	0	0	114.8	V210 M211 R216	V210-G214 PolarHBondContact O-N 3.33Å; M211-G214 PolarHBondContact O-N 3.24Å; G214-R216 PolarHBondContact O-N 2.73Å
215	Y	97.9	Very high	97.4	Very high	56 Å²	56	58.2 Å²	58.2	22%	0.22	32%	0.319	C	S	.	.			trans	-69.6	130.9	-172.8	176.6	-103.5	0	0	0	112.5	F78 K79 M197 M211 P217 L219	F78-Y215 HydrophobicContact CB-CE2 4.31Å; F78-Y215 AromaticContact CD2-CD2 3.96Å; F78-Y215 HydrophobicContact CD2-CD2 3.96Å; F78-Y215 AromaticContact CD2-CE2 3.82Å; F78-Y215 HydrophobicContact CD2-CE2 3.82Å; F78-Y215 HydrophobicContact CG-CD2 4.4Å; F78-Y215 HydrophobicContact CG-CE2 4.4Å; K79-Y215 VanDerWaalsContact O-CE2 3.29Å; K79-Y215 WeakPolarHBondContact O-CE2 3.21Å; K79-Y215 PolarHBondContact O-OH 3.16Å; M197-Y215 HydrophobicContact SD-CG 4.4Å; M211-Y215 WeakPolarHBondContact O-CB 3.25Å; M211-Y215 PolarHBondContact O-N 2.93Å; Y215-P217 HydrophobicContact CE1-CG 4.38Å; Y215-L219 HydrophobicContact CD2-CD1 4.44Å
216	R	97	Very high	97.5	Very high	108 Å²	108	55.9 Å²	55.9	41%	0.408	30%	0.303	S	S	.	.			trans	-135.3	140.2	167.2	-56.2	-177.6	-69.2	-84.6	6.7	109	G214 N218 L219 E223	G214-R216 PolarHBondContact O-N 2.73Å; R216-N218 WeakPolarHBondContact CB-OD1 3.44Å; R216-N218 PolarHBondContact O-N 2.58Å; R216-N218 VanDerWaalsContact O-N 3.13Å; R216-L219 HydrophobicContact CB-CD2 4.3Å; R216-L219 HydrophobicContact CB-CG 4.04Å; R216-L219 WeakPolarHBondContact O-CD1 3.35Å; R216-L219 WeakPolarHBondContact O-CG 3.47Å; R216-L219 PolarHBondContact O-N 3.07Å; R216-E223 IonicContact NH2-OE1 3.85Å; R216-E223 PolarHBondContact NH2-OE1 3.46Å; R216-E223 IonicContact NH2-OE2 3.48Å
217	P	94.9	Very high	97.5	Very high	83 Å²	83	51.6 Å²	51.6	54%	0.539	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-28	177.4	-25.2	34.7	0	0	0	113.5	Q81 Y215	Q81-P217 WeakPolarHBondContact CG-O 3.41Å; Q81-P217 PolarHBondContact N-O 3.08Å; Y215-P217 HydrophobicContact CE1-CG 4.38Å
218	N	96.4	Very high	97.5	Very high	95 Å²	95	51.6 Å²	51.6	51%	0.508	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	34	-175.1	62.4	-17.2	0	0	0	113.9	Q81 R216	Q81-N218 VanDerWaalsContact CD-CA 3.46Å; Q81-N218 HydrophobicContact CG-CB 4.43Å; Q81-N218 VanDerWaalsContact NE2-CB 3.26Å; R216-N218 WeakPolarHBondContact CB-OD1 3.44Å; R216-N218 PolarHBondContact O-N 2.58Å; R216-N218 VanDerWaalsContact O-N 3.13Å
219	L	97	Very high	97.5	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.016	29%	0.285	C	S	.	.			trans	-64.2	143.1	172.3	-72	162.1	0	0	0	111.5	F78 F80 H82 Y215 R216 E223 A224 L227	F78-L219 HydrophobicContact CE2-CD1 4.45Å; F80-L219 HydrophobicContact CD2-CB 4.28Å; F80-L219 WeakPolarHBondContact CD2-O 3.31Å; H82-L219 PolarHBondContact CE1-O 2.83Å; H82-L219 PolarHBondContact ND1-O 2.72Å; Y215-L219 HydrophobicContact CD2-CD1 4.44Å; R216-L219 HydrophobicContact CB-CD2 4.3Å; R216-L219 HydrophobicContact CB-CG 4.04Å; R216-L219 WeakPolarHBondContact O-CD1 3.35Å; R216-L219 WeakPolarHBondContact O-CG 3.47Å; R216-L219 PolarHBondContact O-N 3.07Å; L219-E223 HydrophobicContact CB-CB 4.48Å; L219-E223 HydrophobicContact CD2-CB 3.73Å; L219-A224 HydrophobicContact CB-CB 4.23Å; L219-A224 HydrophobicContact CD1-CB 4.48Å; L219-L227 HydrophobicContact CD1-CD2 3.86Å
220	S	98.1	Very high	97.5	Very high	45 Å²	45	53.3 Å²	53.3	32%	0.315	28%	0.278	S	S	.	.			trans	-68.2	158.7	162.3	65.1	0	0	0	0	110.6	E222 E223 A224	S220-E222 VanDerWaalsContact C-N 3.32Å; S220-E222 PolarHBondContact O-N 3.23Å; S220-E223 WeakPolarHBondContact CB-OE2 3.42Å; S220-E223 PolarHBondContact N-OE2 3.48Å; S220-E223 PolarHBondContact O-N 3.4Å; S220-E223 WeakPolarHBondContact OG-CB 3.27Å; S220-E223 VanDerWaalsContact OG-CD 3.28Å; S220-E223 WeakPolarHBondContact OG-CG 3.38Å; S220-E223 PolarHBondContact OG-N 2.82Å; S220-E223 PolarHBondContact OG-OE2 3Å; S220-A224 WeakPolarHBondContact O-CB 3.17Å; S220-A224 PolarHBondContact O-N 3.13Å
221	P	97.6	Very high	97.5	Very high	40 Å²	40	51.7 Å²	51.7	26%	0.26	27%	0.268	S	S	.	.	H	α-helix	trans	-54.4	-45.8	177.6	-27.5	36	0	0	0	113.1	H82 E223 A224 Y225	H82-P221 HydrophobicContact CB-CG 4.41Å; P221-E223 PolarHBondContact O-N 3.36Å; P221-A224 WeakPolarHBondContact O-CB 2.99Å; P221-A224 PolarHBondContact O-N 3.13Å; P221-Y225 HydrophobicContact CB-CE1 4.47Å; P221-Y225 HydrophobicContact CB-CE2 4.03Å; P221-Y225 WeakPolarHBondContact O-CD1 3.29Å; P221-Y225 VanDerWaalsContact O-CD2 3.3Å; P221-Y225 WeakPolarHBondContact O-CD2 3.32Å; P221-Y225 PolarHBondContact O-N 3.08Å
222	E	97.8	Very high	97.5	Very high	136 Å²	136	51.7 Å²	51.7	64%	0.636	27%	0.268	S	S	*	.	H	α-helix	trans	-64.6	-41	-179.5	-62.8	-55.8	137.4	0	0	112.9	S220 A224 Y225 D226	S220-E222 VanDerWaalsContact C-N 3.32Å; S220-E222 PolarHBondContact O-N 3.23Å; E222-A224 VanDerWaalsContact C-N 3.32Å; E222-A224 PolarHBondContact O-N 2.96Å; E222-Y225 PolarHBondContact O-N 3.31Å; E222-D226 WeakPolarHBondContact O-CB 3.26Å; E222-D226 PolarHBondContact O-N 3.38Å
223	E	97.9	Very high	97.6	Very high	81 Å²	81	47.3 Å²	47.3	38%	0.379	25%	0.245	S	C	.	.	H	α-helix	trans	-66.4	-36.5	175.1	-68.4	170	123.2	0	0	111.8	R216 L219 S220 P221 L227	R216-E223 IonicContact NH2-OE1 3.85Å; R216-E223 PolarHBondContact NH2-OE1 3.46Å; R216-E223 IonicContact NH2-OE2 3.48Å; L219-E223 HydrophobicContact CB-CB 4.48Å; L219-E223 HydrophobicContact CD2-CB 3.73Å; S220-E223 WeakPolarHBondContact CB-OE2 3.42Å; S220-E223 PolarHBondContact N-OE2 3.48Å; S220-E223 PolarHBondContact O-N 3.4Å; S220-E223 WeakPolarHBondContact OG-CB 3.27Å; S220-E223 VanDerWaalsContact OG-CD 3.28Å; S220-E223 WeakPolarHBondContact OG-CG 3.38Å; S220-E223 PolarHBondContact OG-N 2.82Å; S220-E223 PolarHBondContact OG-OE2 3Å; P221-E223 PolarHBondContact O-N 3.36Å; E223-L227 VanDerWaalsContact O-CB 3.31Å; E223-L227 WeakPolarHBondContact O-CB 3.43Å; E223-L227 PolarHBondContact O-N 2.94Å
224	A	98.3	Very high	97.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-67.2	-39.1	175.6	0	0	0	0	0	111.4	F78 F80 I85 L219 S220 P221 E222 L227 G228	F78-A224 HydrophobicContact CE2-CB 4.07Å; F78-A224 HydrophobicContact CZ-CB 4.19Å; F78-A224 WeakPolarHBondContact CZ-O 3.18Å; F80-A224 HydrophobicContact CD2-CB 4.11Å; F80-A224 HydrophobicContact CE1-CB 4.37Å; F80-A224 HydrophobicContact CE2-CB 3.83Å; F80-A224 HydrophobicContact CG-CB 4.46Å; F80-A224 HydrophobicContact CZ-CB 3.98Å; I85-A224 HydrophobicContact CD1-CB 4.45Å; I85-A224 HydrophobicContact CG1-CB 3.97Å; L219-A224 HydrophobicContact CB-CB 4.23Å; L219-A224 HydrophobicContact CD1-CB 4.48Å; S220-A224 WeakPolarHBondContact O-CB 3.17Å; S220-A224 PolarHBondContact O-N 3.13Å; P221-A224 WeakPolarHBondContact O-CB 2.99Å; P221-A224 PolarHBondContact O-N 3.13Å; E222-A224 VanDerWaalsContact C-N 3.32Å; E222-A224 PolarHBondContact O-N 2.96Å; A224-L227 PolarHBondContact O-N 2.6Å; A224-G228 PolarHBondContact O-N 3.31Å
225	Y	98.4	Very high	97.7	Very high	22 Å²	22	45.2 Å²	45.2	9%	0.086	22%	0.215	C	C	.	.	H	α-helix	trans	-62.1	-49.6	174.5	-60.3	-19.1	0	0	0	111.2	I85 P221 E222 L227 G228 R229 M248 H250 V259	I85-Y225 HydrophobicContact CD1-CD1 3.72Å; I85-Y225 HydrophobicContact CD1-CE1 3.6Å; P221-Y225 HydrophobicContact CB-CE1 4.47Å; P221-Y225 HydrophobicContact CB-CE2 4.03Å; P221-Y225 WeakPolarHBondContact O-CD1 3.29Å; P221-Y225 VanDerWaalsContact O-CD2 3.3Å; P221-Y225 WeakPolarHBondContact O-CD2 3.32Å; P221-Y225 PolarHBondContact O-N 3.08Å; E222-Y225 PolarHBondContact O-N 3.31Å; Y225-L227 VanDerWaalsContact C-N 3.34Å; Y225-L227 PolarHBondContact O-N 3.2Å; Y225-G228 PolarHBondContact O-N 3.28Å; Y225-R229 VanDerWaalsContact O-CB 3.23Å; Y225-R229 WeakPolarHBondContact O-CB 3.32Å; Y225-R229 PolarHBondContact O-N 3.24Å; Y225-M248 VanDerWaalsContact CA-CE 3.44Å; Y225-M248 VanDerWaalsContact CB-CE 3.42Å; Y225-M248 HydrophobicContact CD1-CE 4Å; Y225-M248 HydrophobicContact CG-CE 3.89Å; Y225-M248 WeakPolarHBondContact O-CE 3.19Å; Y225-H250 HydrophobicContact CE1-CB 3.99Å; Y225-H250 AromaticContact CE1-CG 3.96Å; Y225-H250 AromaticContact CE1-ND1 3.74Å; Y225-H250 AromaticContact CZ-ND1 3.69Å; Y225-H250 PolarHBondContact OH-ND1 2.8Å; Y225-V259 HydrophobicContact CD1-CG1 4.26Å; Y225-V259 HydrophobicContact CD1-CG2 4.36Å; Y225-V259 HydrophobicContact CD2-CG1 4.05Å; Y225-V259 HydrophobicContact CE1-CG1 4.39Å; Y225-V259 HydrophobicContact CE1-CG2 3.96Å; Y225-V259 HydrophobicContact CE2-CG1 4.18Å; Y225-V259 HydrophobicContact CG-CG1 4.11Å
226	D	98	Very high	97.7	Very high	39 Å²	39	43.2 Å²	43.2	21%	0.209	21%	0.209	C	C	.	.	H	α-helix	trans	-61.5	-40.5	177.8	-179	62.5	0	0	0	112.1	E222 R229 R230	E222-D226 WeakPolarHBondContact O-CB 3.26Å; E222-D226 PolarHBondContact O-N 3.38Å; D226-R229 PolarHBondContact O-N 2.85Å; D226-R230 WeakPolarHBondContact O-CB 3.48Å; D226-R230 WeakPolarHBondContact O-CG 3.5Å; D226-R230 PolarHBondContact O-N 3.05Å; D226-R230 IonicContact OD1-CZ 2.95Å; D226-R230 IonicContact OD1-NE 2.74Å; D226-R230 PolarHBondContact OD1-NE 2.82Å; D226-R230 IonicContact OD1-NH1 3.45Å; D226-R230 IonicContact OD1-NH2 2.76Å; D226-R230 PolarHBondContact OD1-NH2 2.7Å; D226-R230 IonicContact OD2-CZ 2.6Å; D226-R230 IonicContact OD2-NE 3.3Å; D226-R230 PolarHBondContact OD2-NE 2.95Å; D226-R230 IonicContact OD2-NH1 3.16Å; D226-R230 PolarHBondContact OD2-NH1 3.29Å; D226-R230 IonicContact OD2-NH2 3.36Å; D226-R230 PolarHBondContact OD2-NH2 3.22Å
227	L	98.3	Very high	97.7	Very high	15 Å²	15	42.3 Å²	42.3	8%	0.079	21%	0.209	C	C	.	.	H	α-helix	trans	-62.4	-50.3	175.6	-177.7	62.4	0	0	0	112.1	F78 L219 E223 A224 Y225 R229 R230 A231	F78-L227 HydrophobicContact CZ-CD2 4.28Å; L219-L227 HydrophobicContact CD1-CD2 3.86Å; E223-L227 VanDerWaalsContact O-CB 3.31Å; E223-L227 WeakPolarHBondContact O-CB 3.43Å; E223-L227 PolarHBondContact O-N 2.94Å; A224-L227 PolarHBondContact O-N 2.6Å; Y225-L227 VanDerWaalsContact C-N 3.34Å; Y225-L227 PolarHBondContact O-N 3.2Å; L227-R229 VanDerWaalsContact C-N 3.33Å; L227-R229 PolarHBondContact O-N 3.27Å; L227-R230 PolarHBondContact O-N 2.88Å; L227-A231 VanDerWaalsContact O-CB 3.32Å; L227-A231 WeakPolarHBondContact O-CB 3.26Å; L227-A231 PolarHBondContact O-N 2.96Å
228	G	97.9	Very high	97.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.2	-43	178.9	0	0	0	0	0	112	A224 Y225 A231 I232	A224-G228 PolarHBondContact O-N 3.31Å; Y225-G228 PolarHBondContact O-N 3.28Å; G228-A231 PolarHBondContact O-N 3.25Å; G228-I232 PolarHBondContact O-N 3.14Å
229	R	97.9	Very high	97.8	Very high	52 Å²	52	43 Å²	43	20%	0.196	20%	0.195	C	C	.	.	H	α-helix	trans	-62.4	-49.5	177.2	-171.5	-164.9	-60.8	146.1	-6.5	112.3	Y225 D226 L227 I232 A233 E260 L267 Y271	Y225-R229 VanDerWaalsContact O-CB 3.23Å; Y225-R229 WeakPolarHBondContact O-CB 3.32Å; Y225-R229 PolarHBondContact O-N 3.24Å; D226-R229 PolarHBondContact O-N 2.85Å; L227-R229 VanDerWaalsContact C-N 3.33Å; L227-R229 PolarHBondContact O-N 3.27Å; R229-I232 PolarHBondContact O-N 3.25Å; R229-A233 WeakPolarHBondContact O-CB 3.08Å; R229-A233 PolarHBondContact O-N 3.34Å; R229-E260 IonicContact CZ-OE1 2.72Å; R229-E260 IonicContact CZ-OE2 3.3Å; R229-E260 IonicContact NE-OE1 3.62Å; R229-E260 PolarHBondContact NE-OE1 3.07Å; R229-E260 IonicContact NE-OE2 3.07Å; R229-E260 PolarHBondContact NE-OE2 3.36Å; R229-E260 VanDerWaalsContact NE-OE2 3.16Å; R229-E260 IonicContact NH2-OE1 3.22Å; R229-E260 PolarHBondContact NH2-OE1 2.77Å; R229-E260 IonicContact NH2-OE2 3.24Å; R229-E260 PolarHBondContact NH2-OE2 3.08Å; R229-L267 VanDerWaalsContact CD-CD2 3.49Å; R229-L267 HydrophobicContact CG-CD1 3.53Å; R229-L267 HydrophobicContact CG-CD2 4.3Å; R229-Y271 WeakPolarHBondContact CD-OH 3.22Å
230	R	97.8	Very high	97.6	Very high	95 Å²	95	46.8 Å²	46.8	36%	0.358	22%	0.222	S	C	.	.	H	α-helix	trans	-63	-41.6	178.2	-77.5	179.4	179	148.4	16.4	112	V210 D226 L227 I232 A233 Y234 Y271	V210-R230 HydrophobicContact CG1-CB 4.35Å; D226-R230 WeakPolarHBondContact O-CB 3.48Å; D226-R230 WeakPolarHBondContact O-CG 3.5Å; D226-R230 PolarHBondContact O-N 3.05Å; D226-R230 IonicContact OD1-CZ 2.95Å; D226-R230 IonicContact OD1-NE 2.74Å; D226-R230 PolarHBondContact OD1-NE 2.82Å; D226-R230 IonicContact OD1-NH1 3.45Å; D226-R230 IonicContact OD1-NH2 2.76Å; D226-R230 PolarHBondContact OD1-NH2 2.7Å; D226-R230 IonicContact OD2-CZ 2.6Å; D226-R230 IonicContact OD2-NE 3.3Å; D226-R230 PolarHBondContact OD2-NE 2.95Å; D226-R230 IonicContact OD2-NH1 3.16Å; D226-R230 PolarHBondContact OD2-NH1 3.29Å; D226-R230 IonicContact OD2-NH2 3.36Å; D226-R230 PolarHBondContact OD2-NH2 3.22Å; L227-R230 PolarHBondContact O-N 2.88Å; R230-I232 PolarHBondContact O-N 3.23Å; R230-A233 PolarHBondContact O-N 3.32Å; R230-Y234 HydrophobicContact CB-CD2 4.17Å; R230-Y234 HydrophobicContact CB-CE2 4.07Å; R230-Y234 HydrophobicContact CG-CE2 4.29Å; R230-Y234 WeakPolarHBondContact O-CD2 3.45Å; R230-Y234 PolarHBondContact O-N 2.56Å; R230-Y271 HydrophobicContact CG-CE1 4.35Å; R230-Y271 HydrophobicContact CG-CE2 3.87Å
231	A	98.3	Very high	97.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61	-45.2	180	0	0	0	0	0	112	L76 V210 M211 L227 G228 A235	L76-A231 HydrophobicContact CD2-CB 3.5Å; L76-A231 VanDerWaalsContact CD2-CB 3.5Å; V210-A231 HydrophobicContact CB-CB 4.17Å; V210-A231 HydrophobicContact CG1-CB 4.12Å; M211-A231 HydrophobicContact CB-CB 4.31Å; L227-A231 VanDerWaalsContact O-CB 3.32Å; L227-A231 WeakPolarHBondContact O-CB 3.26Å; L227-A231 PolarHBondContact O-N 2.96Å; G228-A231 PolarHBondContact O-N 3.25Å; A231-A235 VanDerWaalsContact O-CB 3.31Å; A231-A235 WeakPolarHBondContact O-CB 3.22Å; A231-A235 PolarHBondContact O-N 3.28Å; A231-A235 VanDerWaalsContact O-N 3.1Å
232	I	98.3	Very high	97.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-66.5	-47.2	173.4	-63.3	-62.5	0	0	0	111.1	T74 L76 A87 D89 G228 R229 R230 Y234 A235 T236 V246	T74-I232 HydrophobicContact CG2-CD1 3.68Å; L76-I232 HydrophobicContact CD2-CD1 3.55Å; L76-I232 HydrophobicContact CD2-CG1 3.77Å; L76-I232 HydrophobicContact CG-CD1 3.84Å; L76-I232 HydrophobicContact CG-CG1 4.2Å; A87-I232 HydrophobicContact CB-CG1 3.85Å; D89-I232 HydrophobicContact CB-CG2 4.03Å; G228-I232 PolarHBondContact O-N 3.14Å; R229-I232 PolarHBondContact O-N 3.25Å; R230-I232 PolarHBondContact O-N 3.23Å; I232-Y234 PolarHBondContact O-N 3.19Å; I232-A235 PolarHBondContact O-N 2.96Å; I232-A235 VanDerWaalsContact O-N 3.15Å; I232-T236 HydrophobicContact CG2-CG2 3.99Å; I232-T236 VanDerWaalsContact O-CG2 3.27Å; I232-T236 WeakPolarHBondContact O-CG2 3.39Å; I232-T236 PolarHBondContact O-N 2.91Å; I232-T236 PolarHBondContact O-OG1 3.26Å; I232-V246 HydrophobicContact CB-CG1 4.06Å; I232-V246 HydrophobicContact CB-CG2 4.17Å; I232-V246 HydrophobicContact CG1-CG1 4.31Å; I232-V246 HydrophobicContact CG2-CB 4.42Å; I232-V246 HydrophobicContact CG2-CG1 4.13Å; I232-V246 HydrophobicContact CG2-CG2 3.75Å
233	A	98	Very high	97.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-57.1	-46.8	-177.9	0	0	0	0	0	112.2	R229 R230 T236 H237 L268 Y271	R229-A233 WeakPolarHBondContact O-CB 3.08Å; R229-A233 PolarHBondContact O-N 3.34Å; R230-A233 PolarHBondContact O-N 3.32Å; A233-T236 PolarHBondContact O-N 3.46Å; A233-T236 PolarHBondContact O-OG1 3.13Å; A233-H237 PolarHBondContact O-N 3.02Å; A233-H237 VanDerWaalsContact O-N 3.08Å; A233-L268 HydrophobicContact CB-CD2 4.2Å; A233-Y271 HydrophobicContact CB-CE2 4.25Å
234	Y	97.9	Very high	97.1	Very high	79 Å²	79	37.1 Å²	37.1	31%	0.31	17%	0.169	S	C	.	.	H	α-helix	trans	-71.5	-31.3	177.9	-69.9	-56.1	0	0	0	113.4	V210 R230 I232 H237 R238 L268	V210-Y234 HydrophobicContact CG1-CD2 4.24Å; V210-Y234 HydrophobicContact CG2-CD2 3.99Å; V210-Y234 HydrophobicContact CG2-CG 4.34Å; R230-Y234 HydrophobicContact CB-CD2 4.17Å; R230-Y234 HydrophobicContact CB-CE2 4.07Å; R230-Y234 HydrophobicContact CG-CE2 4.29Å; R230-Y234 WeakPolarHBondContact O-CD2 3.45Å; R230-Y234 PolarHBondContact O-N 2.56Å; I232-Y234 PolarHBondContact O-N 3.19Å; Y234-H237 WeakPolarHBondContact O-CB 3.35Å; Y234-H237 PolarHBondContact O-N 3.27Å; Y234-R238 PolarHBondContact O-N 3.3Å; Y234-L268 HydrophobicContact CD1-CD2 4.32Å; Y234-L268 HydrophobicContact CE1-CD2 4.44Å
235	A	97.9	Very high	97.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63	-47.8	171.9	0	0	0	0	0	111.3	T74 A207 A231 I232 H237 R238 D239	T74-A235 HydrophobicContact CG2-CB 3.75Å; A207-A235 HydrophobicContact CB-CB 4.22Å; A231-A235 VanDerWaalsContact O-CB 3.31Å; A231-A235 WeakPolarHBondContact O-CB 3.22Å; A231-A235 PolarHBondContact O-N 3.28Å; A231-A235 VanDerWaalsContact O-N 3.1Å; I232-A235 PolarHBondContact O-N 2.96Å; I232-A235 VanDerWaalsContact O-N 3.15Å; A235-H237 PolarHBondContact O-N 3.29Å; A235-R238 PolarHBondContact O-N 3.09Å; A235-D239 WeakPolarHBondContact O-CB 3.49Å; A235-D239 PolarHBondContact O-N 2.87Å
236	T	97.1	Very high	97.1	Very high	15 Å²	15	36.5 Å²	36.5	9%	0.092	17%	0.168	C	C	.	.	H	α-helix	trans	-64.8	-22.5	176.8	61.8	0	0	0	0	113.7	D89 I232 A233 R238 V264	D89-T236 HydrophobicContact CB-CG2 3.85Å; I232-T236 HydrophobicContact CG2-CG2 3.99Å; I232-T236 VanDerWaalsContact O-CG2 3.27Å; I232-T236 WeakPolarHBondContact O-CG2 3.39Å; I232-T236 PolarHBondContact O-N 2.91Å; I232-T236 PolarHBondContact O-OG1 3.26Å; A233-T236 PolarHBondContact O-N 3.46Å; A233-T236 PolarHBondContact O-OG1 3.13Å; T236-R238 VanDerWaalsContact C-N 3.32Å; T236-V264 HydrophobicContact CG2-CG2 4.34Å; T236-V264 WeakPolarHBondContact OG1-CG1 3.15Å
237	H	97.4	Very high	97.1	Very high	89 Å²	89	35 Å²	35	41%	0.412	16%	0.16	S	C	.	.	H	α-helix	trans	-72.5	-27	174.1	-172.8	59.3	0	0	0	112.7	A233 Y234 A235 L268 R272	A233-H237 PolarHBondContact O-N 3.02Å; A233-H237 VanDerWaalsContact O-N 3.08Å; Y234-H237 WeakPolarHBondContact O-CB 3.35Å; Y234-H237 PolarHBondContact O-N 3.27Å; A235-H237 PolarHBondContact O-N 3.29Å; H237-L268 HydrophobicContact CB-CD1 4.02Å; H237-L268 HydrophobicContact CB-CD2 4.24Å; H237-R272 PolarHBondContact NE2-NH2 3.22Å
238	R	97	Very high	97.1	Very high	178 Å²	178	34.3 Å²	34.3	67%	0.672	16%	0.156	S	C	*	.	H	α-helix	trans	-102.4	-41.3	-177.5	-68.6	-61.5	-170.9	176	0.5	113.1	Y206 Y234 A235 T236	Y206-R238 HydrophobicContact CD1-CB 3.84Å; Y206-R238 HydrophobicContact CD1-CG 4.18Å; Y206-R238 HydrophobicContact CD2-CB 3.97Å; Y206-R238 HydrophobicContact CE1-CB 3.81Å; Y206-R238 HydrophobicContact CE1-CG 4.31Å; Y206-R238 HydrophobicContact CE2-CB 3.94Å; Y206-R238 HydrophobicContact CG-CB 3.92Å; Y234-R238 PolarHBondContact O-N 3.3Å; A235-R238 PolarHBondContact O-N 3.09Å; T236-R238 VanDerWaalsContact C-N 3.32Å
239	D	96.3	Very high	97.2	Very high	15 Å²	15	34.4 Å²	34.4	8%	0.08	16%	0.156	C	C	.	.			trans	-83.9	119.5	179.4	178.9	26.3	0	0	0	111.1	S202 G203 Y206 A235 Y241 S242	S202-D239 WeakPolarHBondContact CB-OD2 3.34Å; S202-D239 PolarHBondContact OG-OD2 3.31Å; G203-D239 PolarHBondContact N-OD2 2.81Å; Y206-D239 HydrophobicContact CD2-CB 4.08Å; Y206-D239 HydrophobicContact CE2-CB 3.98Å; A235-D239 WeakPolarHBondContact O-CB 3.49Å; A235-D239 PolarHBondContact O-N 2.87Å; D239-Y241 PolarHBondContact O-N 2.87Å; D239-Y241 PolarHBondContact OD1-N 2.81Å; D239-S242 PolarHBondContact O-N 3.34Å; D239-S242 WeakPolarHBondContact OD2-CB 3.42Å; D239-S242 PolarHBondContact OD2-N 3.45Å; D239-S242 PolarHBondContact OD2-OG 3.37Å
240	S	93.3	Very high	97.2	Very high	82 Å²	82	32 Å²	32	57%	0.573	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-29.5	-178.3	54.2	0	0	0	0	112.9	R91	R91-S240 PolarHBondContact NH1-O 3.43Å
241	Y	93.5	Very high	97.2	Very high	84 Å²	84	27.6 Å²	27.6	33%	0.329	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-5.8	-175	-56.1	-70.7	0	0	0	114.1	G72 R91 D239	G72-Y241 CarbonylContact C-O 3.59Å; R91-Y241 WeakPolarHBondContact CD-O 3.45Å; D239-Y241 PolarHBondContact O-N 2.87Å; D239-Y241 PolarHBondContact OD1-N 2.81Å
242	S	95.7	Very high	97.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.146	C	C	.	.			trans	-104.1	143.5	175.7	-63.8	0	0	0	0	110.9	T74 D89 R91 D239	T74-S242 PolarHBondContact N-OG 3.28Å; T74-S242 VanDerWaalsContact N-OG 3.16Å; T74-S242 WeakPolarHBondContact OG1-CB 3.36Å; T74-S242 PolarHBondContact OG1-OG 3.3Å; D89-S242 WeakPolarHBondContact OD2-CA 3.33Å; R91-S242 PolarHBondContact NH1-O 3.46Å; D239-S242 PolarHBondContact O-N 3.34Å; D239-S242 WeakPolarHBondContact OD2-CB 3.42Å; D239-S242 PolarHBondContact OD2-N 3.45Å; D239-S242 PolarHBondContact OD2-OG 3.37Å
243	G	95.9	Very high	97.1	Very high	2 Å²	2	37.8 Å²	37.8	2%	0.021	18%	0.177	C	C	.	.			trans	164.9	-160	175.6	0	0	0	0	0	114.9	D89 S90 R91	D89-G243 PolarHBondContact OD2-N 3.27Å; S90-G243 PolarHBondContact N-O 3.23Å; R91-G243 WeakPolarHBondContact CB-O 3.44Å; R91-G243 PolarHBondContact N-O 2.98Å
244	G	96.7	Very high	97	Very high	13 Å²	13	43.5 Å²	43.5	13%	0.134	21%	0.208	C	C	.	.	S	Bend	trans	87	-116.5	-178.9	0	0	0	0	0	111.5	V264	G244-V264 VanDerWaalsContact O-CB 3.25Å; G244-V264 WeakPolarHBondContact O-CB 3.38Å; G244-V264 VanDerWaalsContact O-CG2 3.23Å; G244-V264 WeakPolarHBondContact O-CG2 3.24Å; G244-V264 PolarHBondContact O-N 3.09Å
245	V	98	Very high	96.9	Very high	9 Å²	9	40 Å²	40	6%	0.055	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	149.6	179.1	-54.7	0	0	0	0	110.5	D89 S90 R102 T262 D263	D89-V245 CarbonylContact C-O 3.6Å; S90-V245 PolarHBondContact N-O 3.33Å; S90-V245 WeakPolarHBondContact OG-CG2 3.28Å; S90-V245 PolarHBondContact OG-N 3.13Å; S90-V245 PolarHBondContact OG-O 3.31Å; R102-V245 HydrophobicContact CG-CG1 4.25Å; V245-T262 CarbonylContact C-O 3.54Å; V245-T262 VanDerWaalsContact CA-O 3.3Å; V245-T262 WeakPolarHBondContact CA-O 3.42Å; V245-T262 WeakPolarHBondContact CB-O 3.44Å; V245-D263 HydrophobicContact CG1-CB 4.49Å
246	V	98.3	Very high	96.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	112.9	168.4	-173.3	0	0	0	0	108	V88 I232 S261 T262 V264 L267	V88-V246 WeakPolarHBondContact O-CA 3.44Å; I232-V246 HydrophobicContact CB-CG1 4.06Å; I232-V246 HydrophobicContact CB-CG2 4.17Å; I232-V246 HydrophobicContact CG1-CG1 4.31Å; I232-V246 HydrophobicContact CG2-CB 4.42Å; I232-V246 HydrophobicContact CG2-CG1 4.13Å; I232-V246 HydrophobicContact CG2-CG2 3.75Å; V246-S261 CarbonylContact O-C 3.16Å; V246-S261 VanDerWaalsContact O-CA 3.28Å; V246-S261 WeakPolarHBondContact O-CA 3.47Å; V246-T262 PolarHBondContact N-O 3.26Å; V246-T262 PolarHBondContact O-N 2.99Å; V246-V264 HydrophobicContact CG2-CG2 3.65Å; V246-L267 HydrophobicContact CG2-CD1 4.05Å
247	N	98.3	Very high	97	Very high	8 Å²	8	44.8 Å²	44.8	4%	0.043	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	121.5	168	-71.3	-67.3	0	0	0	108.7	A87 V88 Y249 K258 S261	A87-N247 WeakPolarHBondContact CA-O 3.48Å; V88-N247 HydrophobicContact CG2-CB 3.86Å; V88-N247 PolarHBondContact N-O 2.94Å; V88-N247 PolarHBondContact O-N 3.43Å; N247-Y249 HydrophobicContact CB-CE2 4.34Å; N247-K258 PolarHBondContact OD1-NZ 3.2Å; N247-S261 WeakPolarHBondContact OD1-CB 3.4Å; N247-S261 PolarHBondContact OD1-OG 3.44Å
248	M	98.4	Very high	97	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	135.2	-179.4	-171.6	162.3	63.8	0	0	111.4	I85 A86 A87 Y225 V259 E260	I85-M248 HydrophobicContact CG2-CG 3.96Å; I85-M248 HydrophobicContact CG2-SD 3.83Å; A86-M248 WeakPolarHBondContact O-CA 3.25Å; A87-M248 HydrophobicContact CB-CB 4.41Å; A87-M248 HydrophobicContact CB-CG 4.17Å; A87-M248 HydrophobicContact CB-SD 4.39Å; Y225-M248 VanDerWaalsContact CA-CE 3.44Å; Y225-M248 VanDerWaalsContact CB-CE 3.42Å; Y225-M248 HydrophobicContact CD1-CE 4Å; Y225-M248 HydrophobicContact CG-CE 3.89Å; Y225-M248 WeakPolarHBondContact O-CE 3.19Å; M248-V259 HydrophobicContact CB-CB 4.46Å; M248-V259 HydrophobicContact CE-CB 4.26Å; M248-V259 HydrophobicContact CE-CG1 3.87Å; M248-V259 HydrophobicContact CG-CB 4.46Å; M248-V259 PolarHBondContact O-N 2.82Å; M248-E260 HydrophobicContact CB-CG 3.96Å; M248-E260 HydrophobicContact CE-CG 3.93Å; M248-E260 WeakPolarHBondContact CE-OE1 3.39Å; M248-E260 PolarHBondContact N-O 3.09Å; M248-E260 VanDerWaalsContact N-O 3.11Å; M248-E260 PolarHBondContact O-N 2.85Å
249	Y	98.6	Very high	97	Very high	1 Å²	1	39 Å²	39	0%	0.004	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	145.6	179.3	-71.7	-107	0	0	0	109.3	A86 V106 E108 L114 N247 W256 V257 K258	A86-Y249 PolarHBondContact N-O 3.3Å; A86-Y249 PolarHBondContact O-N 3.08Å; V106-Y249 HydrophobicContact CB-CD2 3.98Å; V106-Y249 HydrophobicContact CB-CE2 3.67Å; V106-Y249 HydrophobicContact CG1-CD1 4.43Å; V106-Y249 HydrophobicContact CG1-CD2 3.94Å; V106-Y249 HydrophobicContact CG1-CE1 4.39Å; V106-Y249 HydrophobicContact CG1-CE2 3.92Å; V106-Y249 HydrophobicContact CG1-CG 4.22Å; V106-Y249 HydrophobicContact CG2-CD2 3.8Å; V106-Y249 HydrophobicContact CG2-CE2 3.87Å; E108-Y249 HydrophobicContact CG-CE1 4.34Å; E108-Y249 PolarHBondContact OE1-OH 3.19Å; L114-Y249 HydrophobicContact CD1-CD1 3.84Å; L114-Y249 HydrophobicContact CD1-CG 3.93Å; L114-Y249 HydrophobicContact CD2-CD1 4.29Å; N247-Y249 HydrophobicContact CB-CE2 4.34Å; Y249-W256 HydrophobicContact CD1-CD2 4.24Å; Y249-W256 AromaticContact CD1-CE3 3.58Å; Y249-W256 HydrophobicContact CD1-CE3 3.58Å; Y249-W256 AromaticContact CD1-CZ3 3.98Å; Y249-W256 HydrophobicContact CD1-CZ3 3.98Å; Y249-W256 HydrophobicContact CE1-CD2 4.46Å; Y249-W256 AromaticContact CE1-CE3 3.71Å; Y249-W256 HydrophobicContact CE1-CE3 3.71Å; Y249-W256 HydrophobicContact CE1-CH2 4.27Å; Y249-W256 AromaticContact CE1-CZ3 3.6Å; Y249-W256 HydrophobicContact CE1-CZ3 3.6Å; Y249-V257 WeakPolarHBondContact CA-O 3.27Å; Y249-K258 HydrophobicContact CD1-CB 4.16Å; Y249-K258 HydrophobicContact CD1-CG 4.41Å; Y249-K258 HydrophobicContact CE1-CB 3.91Å; Y249-K258 HydrophobicContact CE1-CD 4.3Å; Y249-K258 HydrophobicContact CE1-CG 4.03Å; Y249-K258 HydrophobicContact CE2-CD 4.37Å; Y249-K258 HydrophobicContact CE2-CG 4.2Å
250	H	98.6	Very high	97	Very high	3 Å²	3	39.8 Å²	39.8	1%	0.014	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	114.7	175	178	-163.7	0	0	0	109.1	F80 H82 I85 Y225 K252 W256 V257 V259	F80-H250 AromaticContact CE1-NE2 3.83Å; F80-H250 AromaticContact CZ-NE2 3.68Å; H82-H250 PolarHBondContact O-NE2 3.16Å; I85-H250 HydrophobicContact CD1-CB 3.98Å; Y225-H250 HydrophobicContact CE1-CB 3.99Å; Y225-H250 AromaticContact CE1-CG 3.96Å; Y225-H250 AromaticContact CE1-ND1 3.74Å; Y225-H250 AromaticContact CZ-ND1 3.69Å; Y225-H250 PolarHBondContact OH-ND1 2.8Å; H250-K252 WeakPolarHBondContact CE1-CE 3.29Å; H250-K252 WeakPolarHBondContact ND1-CE 3.4Å; H250-W256 CarbonylContact O-C 3.59Å; H250-W256 WeakPolarHBondContact O-CA 3.46Å; H250-V257 HydrophobicContact CB-CG2 3.9Å; H250-V257 PolarHBondContact N-O 3.12Å; H250-V257 PolarHBondContact O-N 3.39Å; H250-V259 HydrophobicContact CB-CG2 3.55Å
251	M	98.3	Very high	97.2	Very high	2 Å²	2	39 Å²	39	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	120.2	172.3	-170.6	64.5	63.2	0	0	110.1	G83 V84 L114 W176 W256	G83-M251 WeakPolarHBondContact CA-O 3.22Å; V84-M251 HydrophobicContact CB-CB 3.96Å; V84-M251 HydrophobicContact CG2-CB 4.43Å; V84-M251 PolarHBondContact N-O 2.9Å; V84-M251 VanDerWaalsContact N-O 3.14Å; V84-M251 PolarHBondContact O-N 2.84Å; L114-M251 HydrophobicContact CB-CE 4.24Å; L114-M251 HydrophobicContact CD1-CE 3.86Å; L114-M251 HydrophobicContact CG-CE 3.67Å; W176-M251 HydrophobicContact CB-CG 4.39Å; M251-W256 HydrophobicContact CE-CB 3.72Å; M251-W256 HydrophobicContact CE-CG 4.3Å; M251-W256 HydrophobicContact SD-CB 3.93Å
252	K	97.6	Very high	97.3	Very high	74 Å²	74	36.9 Å²	36.9	32%	0.322	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	178.2	173.7	-62.3	179.5	-178.7	179.3	0	110.1	W176 H250 D254 G255	W176-K252 WeakPolarHBondContact CB-O 3.32Å; H250-K252 WeakPolarHBondContact CE1-CE 3.29Å; H250-K252 WeakPolarHBondContact ND1-CE 3.4Å; K252-D254 VanDerWaalsContact C-N 3.31Å; K252-D254 WeakPolarHBondContact CB-OD1 3.45Å; K252-D254 PolarHBondContact O-N 3.08Å; K252-G255 WeakPolarHBondContact CA-O 3.4Å; K252-G255 WeakPolarHBondContact CB-O 3.5Å; K252-G255 PolarHBondContact N-O 3.08Å; K252-G255 PolarHBondContact O-N 3.4Å
253	E	95.9	Very high	97.4	Very high	140 Å²	140	38.7 Å²	38.7	65%	0.654	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-34.1	178.9	-176.6	167	-144.7	0	0	113	W176 G255	W176-E253 HydrophobicContact CD2-CB 4.01Å; W176-E253 HydrophobicContact CE3-CB 4.46Å; W176-E253 HydrophobicContact CG-CB 4.39Å; W176-E253 HydrophobicContact CH2-CB 4.36Å; W176-E253 HydrophobicContact CZ2-CB 3.9Å; W176-E253 HydrophobicContact CZ2-CG 4.42Å; E253-G255 VanDerWaalsContact C-N 3.32Å
254	D	95.9	Very high	97.5	Very high	120 Å²	120	39.1 Å²	39.1	64%	0.642	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.4	0.5	179.7	62.7	-33.4	0	0	0	113.9	Y112 K252	Y112-D254 VanDerWaalsContact CE1-O 3.28Å; Y112-D254 WeakPolarHBondContact CE1-O 3.48Å; K252-D254 VanDerWaalsContact C-N 3.31Å; K252-D254 WeakPolarHBondContact CB-OD1 3.45Å; K252-D254 PolarHBondContact O-N 3.08Å
255	G	96.2	Very high	97.5	Very high	6 Å²	6	41.3 Å²	41.3	6%	0.062	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	128.1	-174.6	179.8	0	0	0	0	0	112.5	P111 K252 E253	P111-G255 CarbonylContact O-C 3.36Å; P111-G255 WeakPolarHBondContact O-CA 3.45Å; K252-G255 WeakPolarHBondContact CA-O 3.4Å; K252-G255 WeakPolarHBondContact CB-O 3.5Å; K252-G255 PolarHBondContact N-O 3.08Å; K252-G255 PolarHBondContact O-N 3.4Å; E253-G255 VanDerWaalsContact C-N 3.32Å
256	W	98.2	Very high	97.5	Very high	57 Å²	57	45.9 Å²	45.9	22%	0.216	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	149.8	175.8	59.5	-98.9	0	0	0	112.3	E108 N110 P111 L114 Y249 H250 M251 K258	E108-W256 HydrophobicContact CB-CH2 4.47Å; E108-W256 HydrophobicContact CB-CZ2 3.79Å; E108-W256 VanDerWaalsContact CD-CZ2 3.44Å; E108-W256 HydrophobicContact CG-CH2 3.74Å; E108-W256 HydrophobicContact CG-CZ2 3.47Å; E108-W256 VanDerWaalsContact CG-CZ2 3.47Å; E108-W256 WeakPolarHBondContact OE1-CH2 3.32Å; E108-W256 VanDerWaalsContact OE2-CH2 3.31Å; E108-W256 WeakPolarHBondContact OE2-CH2 3.44Å; E108-W256 WeakPolarHBondContact OE2-CZ2 3.47Å; N110-W256 PolarHBondContact O-NE1 3.39Å; P111-W256 PolarHBondContact O-N 3.3Å; L114-W256 HydrophobicContact CD1-CB 3.77Å; L114-W256 HydrophobicContact CD1-CG 3.94Å; L114-W256 HydrophobicContact CD2-CB 4.41Å; L114-W256 VanDerWaalsContact CD2-CD1 3.48Å; L114-W256 HydrophobicContact CD2-CD2 3.8Å; L114-W256 HydrophobicContact CD2-CG 3.66Å; L114-W256 HydrophobicContact CG-CB 4.1Å; L114-W256 HydrophobicContact CG-CD2 4.44Å; L114-W256 HydrophobicContact CG-CG 3.83Å; Y249-W256 HydrophobicContact CD1-CD2 4.24Å; Y249-W256 AromaticContact CD1-CE3 3.58Å; Y249-W256 HydrophobicContact CD1-CE3 3.58Å; Y249-W256 AromaticContact CD1-CZ3 3.98Å; Y249-W256 HydrophobicContact CD1-CZ3 3.98Å; Y249-W256 HydrophobicContact CE1-CD2 4.46Å; Y249-W256 AromaticContact CE1-CE3 3.71Å; Y249-W256 HydrophobicContact CE1-CE3 3.71Å; Y249-W256 HydrophobicContact CE1-CH2 4.27Å; Y249-W256 AromaticContact CE1-CZ3 3.6Å; Y249-W256 HydrophobicContact CE1-CZ3 3.6Å; H250-W256 CarbonylContact O-C 3.59Å; H250-W256 WeakPolarHBondContact O-CA 3.46Å; M251-W256 HydrophobicContact CE-CB 3.72Å; M251-W256 HydrophobicContact CE-CG 4.3Å; M251-W256 HydrophobicContact SD-CB 3.93Å; W256-K258 HydrophobicContact CZ3-CB 4.37Å
257	V	98.1	Very high	97.4	Very high	57 Å²	57	46.1 Å²	46.1	35%	0.345	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	137.4	168	-62.7	0	0	0	0	109.4	Y249 H250 V259	Y249-V257 WeakPolarHBondContact CA-O 3.27Å; H250-V257 HydrophobicContact CB-CG2 3.9Å; H250-V257 PolarHBondContact N-O 3.12Å; H250-V257 PolarHBondContact O-N 3.39Å; V257-V259 PolarHBondContact O-N 3.3Å
258	K	97.9	Very high	97.3	Very high	98 Å²	98	47.1 Å²	47.1	43%	0.426	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	116.1	169.1	-170.1	173.2	-173.5	179.2	0	107.7	N247 Y249 W256	N247-K258 PolarHBondContact OD1-NZ 3.2Å; Y249-K258 HydrophobicContact CD1-CB 4.16Å; Y249-K258 HydrophobicContact CD1-CG 4.41Å; Y249-K258 HydrophobicContact CE1-CB 3.91Å; Y249-K258 HydrophobicContact CE1-CD 4.3Å; Y249-K258 HydrophobicContact CE1-CG 4.03Å; Y249-K258 HydrophobicContact CE2-CD 4.37Å; Y249-K258 HydrophobicContact CE2-CG 4.2Å; W256-K258 HydrophobicContact CZ3-CB 4.37Å
259	V	97.8	Very high	97.3	Very high	47 Å²	47	52.5 Å²	52.5	29%	0.285	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	-53.7	-175.1	-178.7	0	0	0	0	109.6	Y225 M248 H250 V257	Y225-V259 HydrophobicContact CD1-CG1 4.26Å; Y225-V259 HydrophobicContact CD1-CG2 4.36Å; Y225-V259 HydrophobicContact CD2-CG1 4.05Å; Y225-V259 HydrophobicContact CE1-CG1 4.39Å; Y225-V259 HydrophobicContact CE1-CG2 3.96Å; Y225-V259 HydrophobicContact CE2-CG1 4.18Å; Y225-V259 HydrophobicContact CG-CG1 4.11Å; M248-V259 HydrophobicContact CB-CB 4.46Å; M248-V259 HydrophobicContact CE-CB 4.26Å; M248-V259 HydrophobicContact CE-CG1 3.87Å; M248-V259 HydrophobicContact CG-CB 4.46Å; M248-V259 PolarHBondContact O-N 2.82Å; H250-V259 HydrophobicContact CB-CG2 3.55Å; V257-V259 PolarHBondContact O-N 3.3Å
260	E	95.2	Very high	97.2	Very high	32 Å²	32	58 Å²	58	15%	0.15	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	166.8	-174.6	62.1	-178.9	178.3	0	0	112.8	R229 M248 T262	R229-E260 IonicContact CZ-OE1 2.72Å; R229-E260 IonicContact CZ-OE2 3.3Å; R229-E260 IonicContact NE-OE1 3.62Å; R229-E260 PolarHBondContact NE-OE1 3.07Å; R229-E260 IonicContact NE-OE2 3.07Å; R229-E260 PolarHBondContact NE-OE2 3.36Å; R229-E260 VanDerWaalsContact NE-OE2 3.16Å; R229-E260 IonicContact NH2-OE1 3.22Å; R229-E260 PolarHBondContact NH2-OE1 2.77Å; R229-E260 IonicContact NH2-OE2 3.24Å; R229-E260 PolarHBondContact NH2-OE2 3.08Å; M248-E260 HydrophobicContact CB-CG 3.96Å; M248-E260 HydrophobicContact CE-CG 3.93Å; M248-E260 WeakPolarHBondContact CE-OE1 3.39Å; M248-E260 PolarHBondContact N-O 3.09Å; M248-E260 VanDerWaalsContact N-O 3.11Å; M248-E260 PolarHBondContact O-N 2.85Å; E260-T262 PolarHBondContact OE2-OG1 3.42Å; E260-T262 VanDerWaalsContact OE2-OG1 3.06Å
261	S	97.4	Very high	97	Very high	65 Å²	65	58.8 Å²	58.8	46%	0.455	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	72.5	174.4	-163.5	0	0	0	0	107.9	V246 N247	V246-S261 CarbonylContact O-C 3.16Å; V246-S261 VanDerWaalsContact O-CA 3.28Å; V246-S261 WeakPolarHBondContact O-CA 3.47Å; N247-S261 WeakPolarHBondContact OD1-CB 3.4Å; N247-S261 PolarHBondContact OD1-OG 3.44Å
262	T	96.5	Very high	96.8	Very high	40 Å²	40	65.7 Å²	65.7	25%	0.245	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	137.2	-164.7	-49	0	0	0	0	110.6	V245 V246 E260 V264 L267	V245-T262 CarbonylContact C-O 3.54Å; V245-T262 VanDerWaalsContact CA-O 3.3Å; V245-T262 WeakPolarHBondContact CA-O 3.42Å; V245-T262 WeakPolarHBondContact CB-O 3.44Å; V246-T262 PolarHBondContact N-O 3.26Å; V246-T262 PolarHBondContact O-N 2.99Å; E260-T262 PolarHBondContact OE2-OG1 3.42Å; E260-T262 VanDerWaalsContact OE2-OG1 3.06Å; T262-V264 PolarHBondContact O-N 3.3Å; T262-L267 HydrophobicContact CG2-CD1 3.88Å; T262-L267 HydrophobicContact CG2-CD2 3.81Å; T262-L267 HydrophobicContact CG2-CG 3.77Å
263	D	98.1	Very high	96.7	Very high	38 Å²	38	68.4 Å²	68.4	20%	0.203	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	132.3	-179.7	-158.4	-70.9	0	0	0	111.1	R102 V245 S265 D266 L267	R102-D263 IonicContact NH2-OD2 2.83Å; R102-D263 PolarHBondContact NH2-OD2 3.43Å; V245-D263 HydrophobicContact CG1-CB 4.49Å; D263-S265 VanDerWaalsContact C-N 3.26Å; D263-S265 PolarHBondContact O-N 2.82Å; D263-S265 VanDerWaalsContact OD1-CB 3.29Å; D263-S265 WeakPolarHBondContact OD1-CB 3.44Å; D263-S265 PolarHBondContact OD1-N 3.27Å; D263-D266 HydrophobicContact CB-CB 4.49Å; D263-D266 PolarHBondContact O-N 3.03Å; D263-L267 WeakPolarHBondContact O-CG 3.33Å; D263-L267 PolarHBondContact O-N 3.32Å
264	V	97.4	Very high	96.5	Very high	12 Å²	12	65.4 Å²	65.4	7%	0.073	34%	0.343	C	S	.	.	H	α-helix	trans	-63.8	-35.8	-179.4	167.7	0	0	0	0	110.9	T236 G244 V246 T262 L267 L268	T236-V264 HydrophobicContact CG2-CG2 4.34Å; T236-V264 WeakPolarHBondContact OG1-CG1 3.15Å; G244-V264 VanDerWaalsContact O-CB 3.25Å; G244-V264 WeakPolarHBondContact O-CB 3.38Å; G244-V264 VanDerWaalsContact O-CG2 3.23Å; G244-V264 WeakPolarHBondContact O-CG2 3.24Å; G244-V264 PolarHBondContact O-N 3.09Å; V246-V264 HydrophobicContact CG2-CG2 3.65Å; T262-V264 PolarHBondContact O-N 3.3Å; V264-L267 PolarHBondContact O-N 3.22Å; V264-L268 HydrophobicContact CG1-CD1 3.74Å; V264-L268 HydrophobicContact CG1-CG 4.16Å; V264-L268 WeakPolarHBondContact O-CG 3.48Å; V264-L268 PolarHBondContact O-N 3.42Å
265	S	97	Very high	95.5	Very high	58 Å²	58	66.1 Å²	66.1	41%	0.406	35%	0.347	S	S	.	.	H	α-helix	trans	-62.7	-47.9	-177.4	-161.3	0	0	0	0	110.4	D263 L267 L268 H269	D263-S265 VanDerWaalsContact C-N 3.26Å; D263-S265 PolarHBondContact O-N 2.82Å; D263-S265 VanDerWaalsContact OD1-CB 3.29Å; D263-S265 WeakPolarHBondContact OD1-CB 3.44Å; D263-S265 PolarHBondContact OD1-N 3.27Å; S265-L267 VanDerWaalsContact C-N 3.32Å; S265-L267 PolarHBondContact O-N 2.85Å; S265-L268 PolarHBondContact O-N 3.04Å; S265-H269 PolarHBondContact O-CD2 2.87Å; S265-H269 PolarHBondContact O-N 3.21Å
266	D	97.6	Very high	93.6	Very high	106 Å²	106	76.4 Å²	76.4	57%	0.567	39%	0.393	S	S	*	.	H	α-helix	trans	-60.1	-43.5	179.2	-61.9	-21.6	0	0	0	111.1	D263 H269 Q270	D263-D266 HydrophobicContact CB-CB 4.49Å; D263-D266 PolarHBondContact O-N 3.03Å; D266-H269 PolarHBondContact O-N 3.44Å; D266-Q270 WeakPolarHBondContact O-CB 3.44Å; D266-Q270 PolarHBondContact O-N 2.84Å
267	L	96.6	Very high	93.4	Very high	5 Å²	5	77.4 Å²	77.4	3%	0.026	40%	0.402	C	S	.	.	H	α-helix	trans	-62.9	-45.7	178	-68.1	173	0	0	0	112.8	R229 V246 T262 D263 V264 S265 H269 Q270 Y271	R229-L267 VanDerWaalsContact CD-CD2 3.49Å; R229-L267 HydrophobicContact CG-CD1 3.53Å; R229-L267 HydrophobicContact CG-CD2 4.3Å; V246-L267 HydrophobicContact CG2-CD1 4.05Å; T262-L267 HydrophobicContact CG2-CD1 3.88Å; T262-L267 HydrophobicContact CG2-CD2 3.81Å; T262-L267 HydrophobicContact CG2-CG 3.77Å; D263-L267 WeakPolarHBondContact O-CG 3.33Å; D263-L267 PolarHBondContact O-N 3.32Å; V264-L267 PolarHBondContact O-N 3.22Å; S265-L267 VanDerWaalsContact C-N 3.32Å; S265-L267 PolarHBondContact O-N 2.85Å; L267-H269 VanDerWaalsContact C-N 3.35Å; L267-Q270 PolarHBondContact O-N 2.75Å; L267-Y271 HydrophobicContact CB-CE2 4.03Å; L267-Y271 WeakPolarHBondContact O-CD2 3.14Å; L267-Y271 PolarHBondContact O-N 2.93Å
268	L	96.5	Very high	93.1	Very high	29 Å²	29	78.4 Å²	78.4	15%	0.152	41%	0.405	C	S	.	.	H	α-helix	trans	-66.4	-38	179.2	-70.7	176	0	0	0	111.6	A233 Y234 H237 V264 S265 R272	A233-L268 HydrophobicContact CB-CD2 4.2Å; Y234-L268 HydrophobicContact CD1-CD2 4.32Å; Y234-L268 HydrophobicContact CE1-CD2 4.44Å; H237-L268 HydrophobicContact CB-CD1 4.02Å; H237-L268 HydrophobicContact CB-CD2 4.24Å; V264-L268 HydrophobicContact CG1-CD1 3.74Å; V264-L268 HydrophobicContact CG1-CG 4.16Å; V264-L268 WeakPolarHBondContact O-CG 3.48Å; V264-L268 PolarHBondContact O-N 3.42Å; S265-L268 PolarHBondContact O-N 3.04Å; L268-R272 WeakPolarHBondContact O-CB 3.34Å; L268-R272 WeakPolarHBondContact O-CG 3.19Å; L268-R272 PolarHBondContact O-N 3.06Å; L268-R272 VanDerWaalsContact O-N 3.07Å
269	H	97.1	Very high	92.9	Very high	113 Å²	113	77.3 Å²	77.3	52%	0.523	40%	0.404	S	S	.	.	H	α-helix	trans	-63.4	-47.4	173.2	-76.3	-63.8	0	0	0	111.5	S265 D266 L267 Y271 R272 E273	S265-H269 PolarHBondContact O-CD2 2.87Å; S265-H269 PolarHBondContact O-N 3.21Å; D266-H269 PolarHBondContact O-N 3.44Å; L267-H269 VanDerWaalsContact C-N 3.35Å; H269-Y271 VanDerWaalsContact C-N 3.34Å; H269-Y271 PolarHBondContact O-N 2.98Å; H269-R272 WeakPolarHBondContact O-CB 3.47Å; H269-R272 PolarHBondContact O-N 3.11Å; H269-R272 VanDerWaalsContact O-N 3.08Å; H269-E273 PolarHBondContact O-N 2.92Å
270	Q	96.7	Very high	92.6	Very high	116 Å²	116	79.1 Å²	79.1	54%	0.542	41%	0.411	S	S	.	.	H	α-helix	trans	-56.5	-45.2	176.6	-176.3	-175.4	-12.3	0	0	112.2	D266 L267 R272 E273 A274	D266-Q270 WeakPolarHBondContact O-CB 3.44Å; D266-Q270 PolarHBondContact O-N 2.84Å; L267-Q270 PolarHBondContact O-N 2.75Å; Q270-R272 VanDerWaalsContact C-N 3.3Å; Q270-R272 PolarHBondContact O-N 3.45Å; Q270-E273 PolarHBondContact O-N 3.39Å; Q270-A274 WeakPolarHBondContact O-CB 3.47Å; Q270-A274 PolarHBondContact O-N 2.83Å; Q270-A274 VanDerWaalsContact O-N 3.08Å
271	Y	95.2	Very high	92.4	Very high	19 Å²	19	82.1 Å²	82.1	8%	0.075	43%	0.427	C	S	.	.	H	α-helix	trans	-70.7	-25.2	178.8	-58.6	-33.1	0	0	0	113.5	R229 R230 A233 L267 H269 N275	R229-Y271 WeakPolarHBondContact CD-OH 3.22Å; R230-Y271 HydrophobicContact CG-CE1 4.35Å; R230-Y271 HydrophobicContact CG-CE2 3.87Å; A233-Y271 HydrophobicContact CB-CE2 4.25Å; L267-Y271 HydrophobicContact CB-CE2 4.03Å; L267-Y271 WeakPolarHBondContact O-CD2 3.14Å; L267-Y271 PolarHBondContact O-N 2.93Å; H269-Y271 VanDerWaalsContact C-N 3.34Å; H269-Y271 PolarHBondContact O-N 2.98Å; Y271-N275 PolarHBondContact O-ND2 2.72Å
272	R	94.9	Very high	92.1	Very high	147 Å²	147	83.2 Å²	83.2	56%	0.555	43%	0.425	S	S	*	.	H	α-helix	trans	-74.5	-42.8	175.2	-72.6	-76.2	173.1	172.1	0.9	111.2	H237 L268 H269 Q270 N275	H237-R272 PolarHBondContact NE2-NH2 3.22Å; L268-R272 WeakPolarHBondContact O-CB 3.34Å; L268-R272 WeakPolarHBondContact O-CG 3.19Å; L268-R272 PolarHBondContact O-N 3.06Å; L268-R272 VanDerWaalsContact O-N 3.07Å; H269-R272 WeakPolarHBondContact O-CB 3.47Å; H269-R272 PolarHBondContact O-N 3.11Å; H269-R272 VanDerWaalsContact O-N 3.08Å; Q270-R272 VanDerWaalsContact C-N 3.3Å; Q270-R272 PolarHBondContact O-N 3.45Å; R272-N275 PolarHBondContact O-N 2.63Å
273	E	95.1	Very high	91.8	Very high	131 Å²	131	86.3 Å²	86.3	61%	0.612	44%	0.438	S	S	*	.	H	α-helix	trans	-66.6	-36.7	177.2	-70.3	175.5	-172.2	0	0	112.2	H269 Q270 N275 Q276	H269-E273 PolarHBondContact O-N 2.92Å; Q270-E273 PolarHBondContact O-N 3.39Å; E273-N275 PolarHBondContact O-N 2.74Å; E273-N275 VanDerWaalsContact O-N 3.15Å; E273-Q276 PolarHBondContact O-N 3.29Å; E273-Q276 VanDerWaalsContact O-N 3.11Å
274	A	91.1	Very high	91.3	Very high	77 Å²	77	90 Å²	90	64%	0.636	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-17.2	177.3	0	0	0	0	0	114.6	Q270	Q270-A274 WeakPolarHBondContact O-CB 3.47Å; Q270-A274 PolarHBondContact O-N 2.83Å; Q270-A274 VanDerWaalsContact O-N 3.08Å
275	N	75.8	Confident	90.8	Very high	136 Å²	136	96.5 Å²	96.5	73%	0.727	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-0.4	178.2	-70.6	-28.9	0	0	0	113.2	Y271 R272 E273	Y271-N275 PolarHBondContact O-ND2 2.72Å; R272-N275 PolarHBondContact O-N 2.63Å; E273-N275 PolarHBondContact O-N 2.74Å; E273-N275 VanDerWaalsContact O-N 3.15Å
276	Q	55.7	Low	90.2	Very high	221 Å²	221	100 Å²	100	100%	1.033	50%	0.495	S	S	*	.			trans	-94	0	172.9	-69.9	-177.3	-5.4	0	0	110.4	E273	E273-Q276 PolarHBondContact O-N 3.29Å; E273-Q276 VanDerWaalsContact O-N 3.11Å

Retrieved 276 of 276 residues in 102.5 ms (Link to these results)

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