A0A061IH36_CRIGR Loading...

F-actin-capping protein subunit beta

F-actin-capping proteins bind in a Ca(2+)-independent manner to the fast growing ends of actin filaments (barbed end) thereby blocking the exchange of subunits at these ends. Unlike other capping proteins (such as gelsolin and severin), these proteins do not sever actin filaments. Plays a role in the regulation of cell morphology and cytoskeletal organization. Forms, with CAPZB, the barbed end of the fast growing ends of actin filaments in the dynactin complex and stabilizes dynactin structure. The dynactin multiprotein complex activates the molecular motor dynein for ultra-processive transport along microtubules.

AlphaFold DB , UniProt , Accession A0A061IH36, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Capzb, Length 301 aa.

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(Predicted Aligned Error values between residue pairs)

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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	31.5	Very low	30.3	Very low	244 Å²	244	160.3 Å²	160.3	100%	1.202	82%	0.818	S	S	*	*				0	94.5	0	-80.6	179.3	166.7	0	0	108.4
2	H	22.4	Very low	30.8	Very low	182 Å²	182	153.9 Å²	153.9	84%	0.843	79%	0.786	S	S	*	*			trans	-132.9	130.1	168.3	-89.7	-42.3	0	0	0	106.1	S4	H2-S4 PolarHBondContact O-N 3.18Å
3	P	30.6	Very low	30.8	Very low	123 Å²	123	150.5 Å²	150.5	80%	0.799	77%	0.771	S	S	*	*			trans	-82.6	106.2	172.1	31.2	-25.4	0	0	0	107.7	R5	P3-R5 PolarHBondContact O-N 2.87Å
4	S	26.1	Very low	30.9	Very low	113 Å²	113	145.8 Å²	145.8	79%	0.79	76%	0.756	S	S	*	*			trans	-67.3	97.4	164.1	-81.2	0	0	0	0	108.3	H2 R6	H2-S4 PolarHBondContact O-N 3.18Å; S4-R6 PolarHBondContact O-N 3.3Å; S4-R6 VanDerWaalsContact O-N 3.13Å
5	R	28.4	Very low	30.9	Very low	239 Å²	239	144.3 Å²	144.3	90%	0.902	74%	0.744	S	S	*	*			trans	-63.6	106.6	156.4	-80.7	-175.7	174.7	-152	-1.2	106.7	P3 S7	P3-R5 PolarHBondContact O-N 2.87Å; R5-S7 PolarHBondContact O-N 3.19Å; R5-S7 VanDerWaalsContact O-N 3.16Å
6	R	30	Very low	31	Very low	227 Å²	227	144.7 Å²	144.7	86%	0.857	75%	0.747	S	S	*	*			trans	-72	100.7	163	-75.7	-176.3	179.3	178.8	0.3	106.8	S4	S4-R6 PolarHBondContact O-N 3.3Å; S4-R6 VanDerWaalsContact O-N 3.13Å
7	S	28.2	Very low	31	Very low	107 Å²	107	142.8 Å²	142.8	75%	0.748	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-64.5	127	162.7	46.5	0	0	0	0	108.3	R5	R5-S7 PolarHBondContact O-N 3.19Å; R5-S7 VanDerWaalsContact O-N 3.16Å
8	L	34.8	Very low	30.8	Very low	125 Å²	125	146.8 Å²	146.8	65%	0.654	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-57.1	139.9	166.1	-67.6	165.9	0	0	0	108.7	F10	L8-F10 PolarHBondContact O-N 2.76Å
9	P	38.7	Very low	31	Very low	101 Å²	101	146.7 Å²	146.7	66%	0.656	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-78.6	123.3	-171.4	30	-30.4	0	0	0	111.5
10	F	31.4	Very low	31.1	Very low	198 Å²	198	142.5 Å²	142.5	87%	0.868	75%	0.749	S	S	*	*			trans	65	149.3	140.9	-72.1	-79.3	0	0	0	121.2	L8	L8-F10 PolarHBondContact O-N 2.76Å
11	P	30.8	Very low	31.2	Very low	104 Å²	104	142 Å²	142	68%	0.675	75%	0.752	S	S	*	*			trans	-73.4	144.3	-169.5	30.2	-33.3	0	0	0	111.8	N13	P11-N13 PolarHBondContact O-N 3.43Å
12	L	37.1	Very low	31.6	Very low	84 Å²	84	135.1 Å²	135.1	44%	0.44	73%	0.728	S	S	.	*			trans	-64.2	74.7	172.6	-77.8	158.7	0	0	0	111	C14	L12-C14 PolarHBondContact O-N 2.91Å
13	N	30	Very low	32.5	Very low	110 Å²	110	133 Å²	133	59%	0.588	72%	0.722	S	S	*	*			trans	-84.4	70.6	173	-135	20	0	0	0	108.4	P11 Q15	P11-N13 PolarHBondContact O-N 3.43Å; N13-Q15 PolarHBondContact ND2-NE2 2.89Å; N13-Q15 PolarHBondContact O-N 2.88Å; N13-Q15 WeakPolarHBondContact OD1-CG 3.36Å; N13-Q15 PolarHBondContact OD1-NE2 3.3Å
14	C	32.6	Very low	32.9	Very low	84 Å²	84	137.8 Å²	137.8	57%	0.568	73%	0.726	S	S	*	*			trans	-72	74.1	160.5	-154.7	0	0	0	0	106.8	L12	L12-C14 PolarHBondContact O-N 2.91Å
15	Q	30.9	Very low	33.4	Very low	123 Å²	123	135.1 Å²	135.1	58%	0.575	72%	0.717	S	S	*	*			trans	-88.3	129.6	174.2	-84.3	-174	8.4	0	0	109.5	N13	N13-Q15 PolarHBondContact ND2-NE2 2.89Å; N13-Q15 PolarHBondContact O-N 2.88Å; N13-Q15 WeakPolarHBondContact OD1-CG 3.36Å; N13-Q15 PolarHBondContact OD1-NE2 3.3Å
16	L	32.7	Very low	33.9	Very low	151 Å²	151	126.1 Å²	126.1	79%	0.791	70%	0.698	S	S	*	*			trans	-45.9	141.1	164.1	-81.9	97.3	0	0	0	111.2	R18	L16-R18 PolarHBondContact O-N 3.17Å
17	V	30.4	Very low	35	Very low	112 Å²	112	121.2 Å²	121.2	68%	0.679	69%	0.693	S	S	*	*			trans	-33.5	103.9	158.2	179.8	0	0	0	0	110.4	V19	V17-V19 HydrophobicContact CG1-CG2 4.38Å; V17-V19 PolarHBondContact O-N 3.08Å
18	R	28.4	Very low	36.5	Very low	216 Å²	216	119.8 Å²	119.8	82%	0.815	68%	0.683	S	S	*	*			trans	-80.4	110.9	160.6	-84.2	-174.3	173.6	178.8	0.2	106.9	L16 G20	L16-R18 PolarHBondContact O-N 3.17Å; R18-G20 VanDerWaalsContact C-N 3.27Å; R18-G20 PolarHBondContact O-N 2.84Å
19	V	34.4	Very low	37.7	Very low	144 Å²	144	119 Å²	119	87%	0.873	68%	0.676	S	S	*	*			trans	-68.3	95.7	158.3	178.3	0	0	0	0	106.2	V17	V17-V19 HydrophobicContact CG1-CG2 4.38Å; V17-V19 PolarHBondContact O-N 3.08Å
20	G	32.1	Very low	39	Very low	63 Å²	63	120.2 Å²	120.2	65%	0.649	67%	0.673	S	S	*	*			trans	-103.1	120.6	179.6	0	0	0	0	0	111.3	R18	R18-G20 VanDerWaalsContact C-N 3.27Å; R18-G20 PolarHBondContact O-N 2.84Å
21	T	33.4	Very low	41.1	Very low	133 Å²	133	112.8 Å²	112.8	82%	0.816	65%	0.646	S	S	*	*			trans	-56.7	139.2	158.6	43.9	0	0	0	0	111.4
22	S	40.3	Very low	43.6	Very low	99 Å²	99	112.6 Å²	112.6	69%	0.692	64%	0.639	S	S	*	*			trans	-5.4	135.9	157.7	55.6	0	0	0	0	116.4
23	D	41.7	Very low	46.2	Very low	137 Å²	137	114.9 Å²	114.9	73%	0.733	65%	0.647	S	S	*	*			cis	-162.6	168.1	33.8	-92.9	-40.2	0	0	0	108.8
24	Y	37.9	Very low	49	Very low	223 Å²	223	113.5 Å²	113.5	88%	0.875	64%	0.637	S	S	*	*			trans	101.2	62.2	171.8	-62.6	-81.1	0	0	0	117.9
25	G	38.3	Very low	51.7	Low	58 Å²	58	111 Å²	111	60%	0.598	62%	0.618	S	S	*	*			trans	-89.5	117.6	176.8	0	0	0	0	0	115.6	E29	G25-E29 VanDerWaalsContact CA-CD 3.43Å; G25-E29 WeakPolarHBondContact CA-OE2 3.38Å
26	G	39.1	Very low	54.5	Low	49 Å²	49	109.3 Å²	109.3	51%	0.505	61%	0.613	S	S	.	*			trans	-137.5	107.8	170	0	0	0	0	0	111	S28	G26-S28 PolarHBondContact O-N 3.17Å; G26-S28 PolarHBondContact O-OG 3.11Å
27	V	53	Low	57.4	Low	125 Å²	125	105.8 Å²	105.8	76%	0.758	60%	0.6	S	S	*	*	S	Bend	trans	55.7	-45	170.5	-169.2	0	0	0	0	117.4	Q30 S31	V27-Q30 PolarHBondContact O-N 3.35Å; V27-S31 PolarHBondContact O-N 3.43Å
28	S	58.5	Low	60.4	Low	77 Å²	77	100.8 Å²	100.8	54%	0.538	57%	0.571	S	S	.	*	H	α-helix	trans	-65.3	-42.5	178	60	0	0	0	0	112.5	G26 Q30 S31 D32	G26-S28 PolarHBondContact O-N 3.17Å; G26-S28 PolarHBondContact O-OG 3.11Å; S28-Q30 PolarHBondContact O-N 2.93Å; S28-S31 PolarHBondContact O-N 2.81Å; S28-D32 PolarHBondContact O-N 3.01Å
29	E	60.9	Low	63.3	Low	107 Å²	107	92.7 Å²	92.7	50%	0.5	54%	0.543	S	S	.	.	H	α-helix	trans	-62.7	-31.3	178.2	-71.2	-174	168.7	0	0	112.7	G25 Q33	G25-E29 VanDerWaalsContact CA-CD 3.43Å; G25-E29 WeakPolarHBondContact CA-OE2 3.38Å; E29-Q33 WeakPolarHBondContact O-CB 3.1Å; E29-Q33 PolarHBondContact O-N 3.48Å
30	Q	66	Low	66	Low	128 Å²	128	88.1 Å²	88.1	60%	0.598	51%	0.514	S	S	*	.	H	α-helix	trans	-73.2	-35.8	179.6	-166.8	173.1	7.4	0	0	111.5	V27 S28 Q34	V27-Q30 PolarHBondContact O-N 3.35Å; S28-Q30 PolarHBondContact O-N 2.93Å; Q30-Q34 VanDerWaalsContact O-CG 3.23Å; Q30-Q34 WeakPolarHBondContact O-CG 3.34Å; Q30-Q34 PolarHBondContact O-N 3.42Å; Q30-Q34 VanDerWaalsContact O-N 3.09Å
31	S	75.5	Confident	68.9	Low	42 Å²	42	88.6 Å²	88.6	29%	0.294	50%	0.501	S	S	.	.	H	α-helix	trans	-68.8	-43	174.8	-164.6	0	0	0	0	111.4	V27 S28 Q33 Q34 L35	V27-S31 PolarHBondContact O-N 3.43Å; S28-S31 PolarHBondContact O-N 2.81Å; S31-Q33 PolarHBondContact O-N 3.47Å; S31-Q34 PolarHBondContact O-N 3.1Å; S31-L35 PolarHBondContact O-N 3.43Å
32	D	83.1	Confident	71.6	Confident	100 Å²	100	83.6 Å²	83.6	54%	0.535	47%	0.469	S	S	.	.	H	α-helix	trans	-63	-43.3	177.5	-68.8	-15.2	0	0	0	111.2	S28 Q34 L35 D36	S28-D32 PolarHBondContact O-N 3.01Å; D32-Q34 VanDerWaalsContact C-N 3.32Å; D32-Q34 PolarHBondContact O-N 2.85Å; D32-L35 PolarHBondContact O-N 2.93Å; D32-D36 PolarHBondContact O-N 3.03Å
33	Q	90.5	Very high	73.9	Confident	131 Å²	131	87.7 Å²	87.7	61%	0.612	47%	0.469	S	S	*	.	H	α-helix	trans	-64.2	-37.4	176.1	-171.8	177.2	24.9	0	0	112.3	E29 S31 D36 C37	E29-Q33 WeakPolarHBondContact O-CB 3.1Å; E29-Q33 PolarHBondContact O-N 3.48Å; S31-Q33 PolarHBondContact O-N 3.47Å; Q33-D36 PolarHBondContact O-N 3.32Å; Q33-C37 WeakPolarHBondContact O-CB 3.42Å; Q33-C37 PolarHBondContact O-N 3.26Å; Q33-C37 PolarHBondContact O-SG 3.24Å
34	Q	90	Very high	76.3	Confident	82 Å²	82	89.7 Å²	89.7	38%	0.383	47%	0.466	S	S	.	.	H	α-helix	trans	-65.4	-41.6	175.8	-76.9	175.9	-25.9	0	0	111.6	Q30 S31 D32 C37 A38 L64	Q30-Q34 VanDerWaalsContact O-CG 3.23Å; Q30-Q34 WeakPolarHBondContact O-CG 3.34Å; Q30-Q34 PolarHBondContact O-N 3.42Å; Q30-Q34 VanDerWaalsContact O-N 3.09Å; S31-Q34 PolarHBondContact O-N 3.1Å; D32-Q34 VanDerWaalsContact C-N 3.32Å; D32-Q34 PolarHBondContact O-N 2.85Å; Q34-C37 PolarHBondContact O-N 3.42Å; Q34-A38 VanDerWaalsContact O-CB 3.3Å; Q34-A38 WeakPolarHBondContact O-CB 3.49Å; Q34-A38 PolarHBondContact O-N 3.43Å; Q34-L64 HydrophobicContact CB-CD1 3.86Å
35	L	89.1	Confident	78.9	Confident	31 Å²	31	81.9 Å²	81.9	16%	0.162	44%	0.439	C	S	.	.	H	α-helix	trans	-61.8	-46.8	174.9	-178	60.8	0	0	0	111.2	S31 D32 C37 A38 L39 L64 D67 L68	S31-L35 PolarHBondContact O-N 3.43Å; D32-L35 PolarHBondContact O-N 2.93Å; L35-C37 VanDerWaalsContact C-N 3.3Å; L35-C37 PolarHBondContact O-N 3.31Å; L35-A38 WeakPolarHBondContact O-CB 3.43Å; L35-A38 PolarHBondContact O-N 2.93Å; L35-A38 VanDerWaalsContact O-N 3.14Å; L35-L39 HydrophobicContact CD1-CD1 4.33Å; L35-L39 HydrophobicContact CD1-CG 4.22Å; L35-L39 HydrophobicContact CG-CD1 4.18Å; L35-L39 HydrophobicContact CG-CG 4.46Å; L35-L39 VanDerWaalsContact O-CG 3.31Å; L35-L39 WeakPolarHBondContact O-CG 3.37Å; L35-L39 PolarHBondContact O-N 2.73Å; L35-L64 HydrophobicContact CB-CD1 4.38Å; L35-L64 HydrophobicContact CB-CD2 4.38Å; L35-D67 HydrophobicContact CD1-CB 3.89Å; L35-D67 HydrophobicContact CD2-CB 4.13Å; L35-L68 HydrophobicContact CD1-CD2 4.05Å
36	D	90.3	Very high	81.3	Confident	88 Å²	88	82.1 Å²	82.1	47%	0.471	43%	0.43	S	S	.	.	H	α-helix	trans	-57.9	-42.6	176.1	-83.9	-15.3	0	0	0	112.3	D32 Q33 D40	D32-D36 PolarHBondContact O-N 3.03Å; Q33-D36 PolarHBondContact O-N 3.32Å; D36-D40 WeakPolarHBondContact O-CB 3.46Å; D36-D40 PolarHBondContact O-N 3.07Å
37	C	93.1	Very high	83.6	Confident	77 Å²	77	82.3 Å²	82.3	52%	0.52	42%	0.423	S	S	.	.	H	α-helix	trans	-66.7	-40.4	176.7	-68.1	0	0	0	0	112	Q33 Q34 L35 D40 L41	Q33-C37 WeakPolarHBondContact O-CB 3.42Å; Q33-C37 PolarHBondContact O-N 3.26Å; Q33-C37 PolarHBondContact O-SG 3.24Å; Q34-C37 PolarHBondContact O-N 3.42Å; L35-C37 VanDerWaalsContact C-N 3.3Å; L35-C37 PolarHBondContact O-N 3.31Å; C37-D40 PolarHBondContact O-N 3.28Å; C37-L41 WeakPolarHBondContact O-CB 3.46Å; C37-L41 PolarHBondContact O-N 3.38Å
38	A	92.1	Very high	85.1	Confident	7 Å²	7	80.4 Å²	80.4	6%	0.058	41%	0.405	C	S	.	.	H	α-helix	trans	-64.1	-44	177.7	0	0	0	0	0	111.3	Q34 L35 L41 M42 L57 L68	Q34-A38 VanDerWaalsContact O-CB 3.3Å; Q34-A38 WeakPolarHBondContact O-CB 3.49Å; Q34-A38 PolarHBondContact O-N 3.43Å; L35-A38 WeakPolarHBondContact O-CB 3.43Å; L35-A38 PolarHBondContact O-N 2.93Å; L35-A38 VanDerWaalsContact O-N 3.14Å; A38-L41 WeakPolarHBondContact O-CB 3.48Å; A38-L41 PolarHBondContact O-N 3.23Å; A38-M42 WeakPolarHBondContact O-CG 3.49Å; A38-M42 PolarHBondContact O-N 2.92Å; A38-L57 HydrophobicContact CB-CD1 4.43Å; A38-L57 HydrophobicContact CB-CD2 3.94Å; A38-L57 HydrophobicContact CB-CG 4.43Å; A38-L68 HydrophobicContact CB-CD2 3.72Å
39	L	89.6	Confident	86.5	Confident	45 Å²	45	81.7 Å²	81.7	24%	0.236	40%	0.403	C	S	.	.	H	α-helix	trans	-67.2	-35.3	174.7	-64.1	178.1	0	0	0	112.3	L35 R43 V72	L35-L39 HydrophobicContact CD1-CD1 4.33Å; L35-L39 HydrophobicContact CD1-CG 4.22Å; L35-L39 HydrophobicContact CG-CD1 4.18Å; L35-L39 HydrophobicContact CG-CG 4.46Å; L35-L39 VanDerWaalsContact O-CG 3.31Å; L35-L39 WeakPolarHBondContact O-CG 3.37Å; L35-L39 PolarHBondContact O-N 2.73Å; L39-R43 WeakPolarHBondContact O-CG 3.29Å; L39-R43 PolarHBondContact O-N 3.29Å; L39-R43 PolarHBondContact O-NE 3.36Å; L39-V72 HydrophobicContact CD2-CG2 3.62Å
40	D	91.9	Very high	87.8	Confident	49 Å²	49	77.8 Å²	77.8	26%	0.262	39%	0.386	S	S	.	.	H	α-helix	trans	-65.6	-39.4	171.4	-167.5	66.1	0	0	0	112.1	D36 C37 R43 R44	D36-D40 WeakPolarHBondContact O-CB 3.46Å; D36-D40 PolarHBondContact O-N 3.07Å; C37-D40 PolarHBondContact O-N 3.28Å; D40-R43 PolarHBondContact O-N 3.28Å; D40-R43 IonicContact OD1-CZ 3.22Å; D40-R43 IonicContact OD1-NH2 2.84Å; D40-R43 PolarHBondContact OD1-NH2 3.18Å; D40-R43 VanDerWaalsContact OD1-NH2 3.15Å; D40-R44 WeakPolarHBondContact O-CG 3.42Å; D40-R44 PolarHBondContact O-N 3.06Å; D40-R44 IonicContact OD1-CZ 3.82Å; D40-R44 IonicContact OD1-NE 3.26Å; D40-R44 IonicContact OD1-NH2 3.61Å; D40-R44 PolarHBondContact OD1-NH2 2.95Å; D40-R44 IonicContact OD2-CZ 2.72Å; D40-R44 VanDerWaalsContact OD2-CZ 3.3Å; D40-R44 IonicContact OD2-NE 3.71Å; D40-R44 PolarHBondContact OD2-NE 3.01Å; D40-R44 IonicContact OD2-NH2 2.65Å; D40-R44 PolarHBondContact OD2-NH2 3.39Å
41	L	93.1	Very high	88.8	Confident	72 Å²	72	76.1 Å²	76.1	38%	0.377	38%	0.378	S	S	.	.	H	α-helix	trans	-63.4	-45.6	177	-172.1	63.9	0	0	0	111.4	C37 A38 R43 R44 L45 L57	C37-L41 WeakPolarHBondContact O-CB 3.46Å; C37-L41 PolarHBondContact O-N 3.38Å; A38-L41 WeakPolarHBondContact O-CB 3.48Å; A38-L41 PolarHBondContact O-N 3.23Å; L41-R43 PolarHBondContact O-N 2.96Å; L41-R44 PolarHBondContact O-N 2.93Å; L41-L45 HydrophobicContact CD1-CD1 4.29Å; L41-L45 HydrophobicContact CD1-CD2 4.32Å; L41-L45 HydrophobicContact CD1-CG 4.09Å; L41-L45 HydrophobicContact CD2-CD1 4.24Å; L41-L45 HydrophobicContact CG-CD1 3.79Å; L41-L45 HydrophobicContact CG-CG 4.03Å; L41-L45 WeakPolarHBondContact O-CG 3.49Å; L41-L45 PolarHBondContact O-N 3.04Å; L41-L57 HydrophobicContact CD2-CD1 4.11Å
42	M	90.3	Very high	89.6	Confident	28 Å²	28	80.2 Å²	80.2	14%	0.138	39%	0.39	C	S	.	.	H	α-helix	trans	-63.6	-25.7	177.4	-69.2	-56.6	-75.9	0	0	113.3	A38 R44 L45 I50 N53 L54 L57 V72	A38-M42 WeakPolarHBondContact O-CG 3.49Å; A38-M42 PolarHBondContact O-N 2.92Å; M42-R44 VanDerWaalsContact C-N 3.31Å; M42-L45 HydrophobicContact SD-CD1 4.43Å; M42-I50 HydrophobicContact CE-CG1 3.76Å; M42-N53 HydrophobicContact CE-CB 3.97Å; M42-N53 HydrophobicContact SD-CB 3.83Å; M42-L54 HydrophobicContact CE-CB 4.03Å; M42-L57 HydrophobicContact CG-CD2 3.8Å; M42-L57 HydrophobicContact SD-CD2 4.02Å; M42-V72 HydrophobicContact CE-CG1 3.79Å; M42-V72 HydrophobicContact CG-CG1 4.36Å; M42-V72 HydrophobicContact CG-CG2 4.31Å
43	R	89.1	Confident	90	Very high	185 Å²	185	76.2 Å²	76.2	70%	0.698	37%	0.369	S	S	*	.	H	α-helix	trans	-75.9	-15.8	172.5	-73.7	-179.4	-71.2	152	-1.6	113.9	L39 D40 L41	L39-R43 WeakPolarHBondContact O-CG 3.29Å; L39-R43 PolarHBondContact O-N 3.29Å; L39-R43 PolarHBondContact O-NE 3.36Å; D40-R43 PolarHBondContact O-N 3.28Å; D40-R43 IonicContact OD1-CZ 3.22Å; D40-R43 IonicContact OD1-NH2 2.84Å; D40-R43 PolarHBondContact OD1-NH2 3.18Å; D40-R43 VanDerWaalsContact OD1-NH2 3.15Å; L41-R43 PolarHBondContact O-N 2.96Å
44	R	91.3	Very high	90	Very high	180 Å²	180	70.1 Å²	70.1	68%	0.679	34%	0.34	S	S	*	.	H	α-helix	trans	-106.9	-32.5	-177.3	-65.6	175.7	-168.7	-82.9	-5.6	113.4	D40 L41 M42	D40-R44 WeakPolarHBondContact O-CG 3.42Å; D40-R44 PolarHBondContact O-N 3.06Å; D40-R44 IonicContact OD1-CZ 3.82Å; D40-R44 IonicContact OD1-NE 3.26Å; D40-R44 IonicContact OD1-NH2 3.61Å; D40-R44 PolarHBondContact OD1-NH2 2.95Å; D40-R44 IonicContact OD2-CZ 2.72Å; D40-R44 VanDerWaalsContact OD2-CZ 3.3Å; D40-R44 IonicContact OD2-NE 3.71Å; D40-R44 PolarHBondContact OD2-NE 3.01Å; D40-R44 IonicContact OD2-NH2 2.65Å; D40-R44 PolarHBondContact OD2-NH2 3.39Å; L41-R44 PolarHBondContact O-N 2.93Å; M42-R44 VanDerWaalsContact C-N 3.31Å
45	L	91.9	Very high	90.1	Very high	58 Å²	58	69 Å²	69	30%	0.304	34%	0.342	S	S	.	.	S	Bend	trans	-66.6	152.5	179.6	-69.6	177.5	0	0	0	111.2	L41 M42 P47 N53	L41-L45 HydrophobicContact CD1-CD1 4.29Å; L41-L45 HydrophobicContact CD1-CD2 4.32Å; L41-L45 HydrophobicContact CD1-CG 4.09Å; L41-L45 HydrophobicContact CD2-CD1 4.24Å; L41-L45 HydrophobicContact CG-CD1 3.79Å; L41-L45 HydrophobicContact CG-CG 4.03Å; L41-L45 WeakPolarHBondContact O-CG 3.49Å; L41-L45 PolarHBondContact O-N 3.04Å; M42-L45 HydrophobicContact SD-CD1 4.43Å; L45-P47 WeakPolarHBondContact O-CD 3.45Å; L45-N53 WeakPolarHBondContact CB-ND2 3.28Å; L45-N53 HydrophobicContact CD1-CB 3.94Å
46	P	88.9	Confident	90.3	Very high	63 Å²	63	71.5 Å²	71.5	41%	0.409	36%	0.355	S	S	.	.			trans	-57.8	122.6	180	-25.8	35.1	0	0	0	112	Q48 Q49 N53	P46-Q48 PolarHBondContact O-N 2.95Å; P46-Q48 VanDerWaalsContact O-N 3.12Å; P46-Q49 PolarHBondContact O-N 3.33Å; P46-Q49 VanDerWaalsContact O-N 3.08Å; P46-N53 PolarHBondContact O-ND2 2.8Å
47	P	87.3	Confident	90.4	Very high	53 Å²	53	67.9 Å²	67.9	34%	0.344	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-67.3	-16.6	-175.3	24.8	-33.4	0	0	0	113.2	L45 Q49 I50 G219	L45-P47 WeakPolarHBondContact O-CD 3.45Å; P47-Q49 PolarHBondContact O-N 3.09Å; P47-I50 WeakPolarHBondContact O-CB 3.47Å; P47-I50 WeakPolarHBondContact O-CG2 3.43Å; P47-I50 PolarHBondContact O-N 3.47Å; P47-G219 WeakPolarHBondContact CG-O 3.41Å
48	Q	84.8	Confident	90.3	Very high	85 Å²	85	65.8 Å²	65.8	40%	0.397	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-69	-17.3	175.4	-61	78	15.4	0	0	113	P46	P46-Q48 PolarHBondContact O-N 2.95Å; P46-Q48 VanDerWaalsContact O-N 3.12Å
49	Q	88.3	Confident	90.4	Very high	104 Å²	104	71.2 Å²	71.2	49%	0.486	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-111.3	18.2	-179.7	-61.8	-178.8	18.5	0	0	111.7	P46 P47 E51 K52 N53	P46-Q49 PolarHBondContact O-N 3.33Å; P46-Q49 VanDerWaalsContact O-N 3.08Å; P47-Q49 PolarHBondContact O-N 3.09Å; Q49-E51 VanDerWaalsContact C-N 3.31Å; Q49-E51 PolarHBondContact O-N 3.26Å; Q49-K52 PolarHBondContact O-N 2.98Å; Q49-N53 WeakPolarHBondContact O-CB 3.38Å; Q49-N53 PolarHBondContact O-N 3.42Å; Q49-N53 PolarHBondContact O-ND2 2.82Å; Q49-N53 PolarHBondContact O-OD1 2.77Å
50	I	88.1	Confident	90.5	Very high	26 Å²	26	75.2 Å²	75.2	13%	0.133	37%	0.368	C	S	.	.	H	α-helix	trans	-53.9	-41.8	-171.5	-168.9	166.8	0	0	0	113.9	M42 P47 K52 N53 L54 D73 P75	M42-I50 HydrophobicContact CE-CG1 3.76Å; P47-I50 WeakPolarHBondContact O-CB 3.47Å; P47-I50 WeakPolarHBondContact O-CG2 3.43Å; P47-I50 PolarHBondContact O-N 3.47Å; I50-K52 PolarHBondContact O-N 3.34Å; I50-N53 PolarHBondContact O-N 2.81Å; I50-L54 VanDerWaalsContact O-CB 3.32Å; I50-L54 WeakPolarHBondContact O-CB 3.41Å; I50-L54 PolarHBondContact O-N 3.11Å; I50-D73 WeakPolarHBondContact CD1-O 3.18Å; I50-P75 HydrophobicContact CG2-CG 3.49Å; I50-P75 VanDerWaalsContact CG2-CG 3.49Å
51	E	87.4	Confident	90.5	Very high	92 Å²	92	74.5 Å²	74.5	43%	0.43	37%	0.365	S	S	.	.	H	α-helix	trans	-62.7	-43.4	177.7	-61.7	-172	149.5	0	0	111.8	Q49 S55 K77	Q49-E51 VanDerWaalsContact C-N 3.31Å; Q49-E51 PolarHBondContact O-N 3.26Å; E51-S55 PolarHBondContact O-N 3.2Å; E51-S55 VanDerWaalsContact O-N 3.11Å; E51-K77 WeakPolarHBondContact OE1-CE 3.5Å; E51-K77 IonicContact OE1-NZ 3.11Å; E51-K77 PolarHBondContact OE1-NZ 2.88Å
52	K	91.8	Very high	90.4	Very high	128 Å²	128	75.2 Å²	75.2	56%	0.557	37%	0.374	S	S	*	.	H	α-helix	trans	-69.6	-45.9	178.2	-177.9	176.9	177.6	179.6	0	111.2	Q49 I50 L54 S55 D56	Q49-K52 PolarHBondContact O-N 2.98Å; I50-K52 PolarHBondContact O-N 3.34Å; K52-L54 VanDerWaalsContact C-N 3.26Å; K52-L54 PolarHBondContact O-N 3.26Å; K52-S55 WeakPolarHBondContact O-CB 3.38Å; K52-S55 PolarHBondContact O-N 3.12Å; K52-D56 WeakPolarHBondContact CE-OD2 3.42Å; K52-D56 WeakPolarHBondContact O-CB 3.19Å; K52-D56 VanDerWaalsContact O-CG 3.27Å; K52-D56 PolarHBondContact O-N 2.59Å
53	N	92.1	Very high	90.4	Very high	16 Å²	16	78.3 Å²	78.3	9%	0.086	40%	0.399	C	S	.	.	H	α-helix	trans	-58.7	-41.3	179.3	-64.2	-22.4	0	0	0	111	M42 L45 P46 Q49 I50 L57	M42-N53 HydrophobicContact CE-CB 3.97Å; M42-N53 HydrophobicContact SD-CB 3.83Å; L45-N53 WeakPolarHBondContact CB-ND2 3.28Å; L45-N53 HydrophobicContact CD1-CB 3.94Å; P46-N53 PolarHBondContact O-ND2 2.8Å; Q49-N53 WeakPolarHBondContact O-CB 3.38Å; Q49-N53 PolarHBondContact O-N 3.42Å; Q49-N53 PolarHBondContact O-ND2 2.82Å; Q49-N53 PolarHBondContact O-OD1 2.77Å; I50-N53 PolarHBondContact O-N 2.81Å; N53-L57 WeakPolarHBondContact O-CB 3.37Å; N53-L57 PolarHBondContact O-N 3.4Å
54	L	90.3	Very high	90.5	Very high	3 Å²	3	69.5 Å²	69.5	2%	0.016	37%	0.366	C	S	.	.	H	α-helix	trans	-67	-43.3	177.2	-175.3	59.7	0	0	0	111.5	M42 I50 K52 L57 I58 L68 L69 V72 Q74	M42-L54 HydrophobicContact CE-CB 4.03Å; I50-L54 VanDerWaalsContact O-CB 3.32Å; I50-L54 WeakPolarHBondContact O-CB 3.41Å; I50-L54 PolarHBondContact O-N 3.11Å; K52-L54 VanDerWaalsContact C-N 3.26Å; K52-L54 PolarHBondContact O-N 3.26Å; L54-L57 PolarHBondContact O-N 3.13Å; L54-I58 HydrophobicContact CD1-CD1 4.31Å; L54-I58 HydrophobicContact CD1-CG1 4.49Å; L54-I58 HydrophobicContact CG-CD1 4.05Å; L54-I58 VanDerWaalsContact O-CG1 3.28Å; L54-I58 WeakPolarHBondContact O-CG1 3.5Å; L54-I58 PolarHBondContact O-N 3Å; L54-L68 HydrophobicContact CD1-CB 4.02Å; L54-L69 HydrophobicContact CD2-CD2 4.12Å; L54-V72 HydrophobicContact CD1-CB 4.16Å; L54-V72 HydrophobicContact CD1-CG1 4.31Å; L54-V72 HydrophobicContact CD1-CG2 4.31Å; L54-V72 HydrophobicContact CD2-CG1 4.5Å; L54-Q74 VanDerWaalsContact CD2-CD 3.45Å; L54-Q74 HydrophobicContact CD2-CG 3.69Å
55	S	91.3	Very high	90.2	Very high	60 Å²	60	62.9 Å²	62.9	42%	0.42	35%	0.346	S	S	.	.	H	α-helix	trans	-59	-50.1	174.2	-169.1	0	0	0	0	111.7	E51 K52 L57 I58 D59	E51-S55 PolarHBondContact O-N 3.2Å; E51-S55 VanDerWaalsContact O-N 3.11Å; K52-S55 WeakPolarHBondContact O-CB 3.38Å; K52-S55 PolarHBondContact O-N 3.12Å; S55-L57 PolarHBondContact O-N 3.37Å; S55-I58 PolarHBondContact O-N 3.43Å; S55-D59 PolarHBondContact O-N 3.36Å
56	D	93.9	Very high	89.8	Confident	82 Å²	82	67.8 Å²	67.8	44%	0.439	37%	0.368	S	S	.	.	H	α-helix	trans	-62.3	-32.8	179.8	-66.9	-15.3	0	0	0	111.1	K52 L60	K52-D56 WeakPolarHBondContact CE-OD2 3.42Å; K52-D56 WeakPolarHBondContact O-CB 3.19Å; K52-D56 VanDerWaalsContact O-CG 3.27Å; K52-D56 PolarHBondContact O-N 2.59Å; D56-L60 WeakPolarHBondContact O-CB 3.48Å; D56-L60 PolarHBondContact O-N 3.22Å
57	L	92.3	Very high	89.6	Confident	13 Å²	13	68.1 Å²	68.1	7%	0.068	37%	0.366	C	S	.	.	H	α-helix	trans	-75.1	-37.4	178.1	-169.3	59	0	0	0	112.6	A38 L41 M42 N53 L54 S55 L60 V61 L68	A38-L57 HydrophobicContact CB-CD1 4.43Å; A38-L57 HydrophobicContact CB-CD2 3.94Å; A38-L57 HydrophobicContact CB-CG 4.43Å; L41-L57 HydrophobicContact CD2-CD1 4.11Å; M42-L57 HydrophobicContact CG-CD2 3.8Å; M42-L57 HydrophobicContact SD-CD2 4.02Å; N53-L57 WeakPolarHBondContact O-CB 3.37Å; N53-L57 PolarHBondContact O-N 3.4Å; L54-L57 PolarHBondContact O-N 3.13Å; S55-L57 PolarHBondContact O-N 3.37Å; L57-L60 HydrophobicContact CD1-CD2 4.5Å; L57-L60 PolarHBondContact O-N 2.96Å; L57-V61 PolarHBondContact O-N 3.43Å; L57-L68 HydrophobicContact CD2-CD1 4.25Å; L57-L68 HydrophobicContact CD2-CD2 4.21Å; L57-L68 HydrophobicContact CG-CD1 4.03Å
58	I	91.4	Very high	89.6	Confident	33 Å²	33	65.6 Å²	65.6	17%	0.169	35%	0.349	C	S	.	.	H	α-helix	trans	-64.6	-42.7	171.9	-69.8	166.3	0	0	0	110	L54 S55 L60 V61 P62 C65 L68 L69	L54-I58 HydrophobicContact CD1-CD1 4.31Å; L54-I58 HydrophobicContact CD1-CG1 4.49Å; L54-I58 HydrophobicContact CG-CD1 4.05Å; L54-I58 VanDerWaalsContact O-CG1 3.28Å; L54-I58 WeakPolarHBondContact O-CG1 3.5Å; L54-I58 PolarHBondContact O-N 3Å; S55-I58 PolarHBondContact O-N 3.43Å; I58-L60 VanDerWaalsContact C-N 3.26Å; I58-L60 PolarHBondContact O-N 3Å; I58-V61 CarbonylContact O-C 3.58Å; I58-V61 VanDerWaalsContact O-C 3.24Å; I58-V61 PolarHBondContact O-N 3.3Å; I58-P62 WeakPolarHBondContact O-CA 2.86Å; I58-P62 WeakPolarHBondContact O-CD 3.43Å; I58-P62 WeakPolarHBondContact O-CG 3.44Å; I58-C65 HydrophobicContact CG2-CB 4.05Å; I58-L68 HydrophobicContact CG1-CD1 4.22Å; I58-L69 HydrophobicContact CD1-CD2 4.06Å; I58-L69 HydrophobicContact CD1-CG 4.16Å
59	D	92.5	Very high	89.5	Confident	120 Å²	120	63.3 Å²	63.3	64%	0.642	34%	0.34	S	S	*	.	H	α-helix	trans	-63.6	-34.2	176.3	-71.9	-19.6	0	0	0	112	S55	S55-D59 PolarHBondContact O-N 3.36Å
60	L	93.2	Very high	89.3	Confident	130 Å²	130	61.5 Å²	61.5	68%	0.681	34%	0.339	S	S	*	.	H	α-helix	trans	-73.5	-40.6	177.8	-176.7	63.7	0	0	0	112.8	D56 L57 I58	D56-L60 WeakPolarHBondContact O-CB 3.48Å; D56-L60 PolarHBondContact O-N 3.22Å; L57-L60 HydrophobicContact CD1-CD2 4.5Å; L57-L60 PolarHBondContact O-N 2.96Å; I58-L60 VanDerWaalsContact C-N 3.26Å; I58-L60 PolarHBondContact O-N 3Å
61	V	91.9	Very high	89.1	Confident	33 Å²	33	63 Å²	63	20%	0.2	35%	0.352	C	S	.	.			trans	-133.4	76.7	-179.4	-166.3	0	0	0	0	110.4	L57 I58 S63 L64	L57-V61 PolarHBondContact O-N 3.43Å; I58-V61 CarbonylContact O-C 3.58Å; I58-V61 VanDerWaalsContact O-C 3.24Å; I58-V61 PolarHBondContact O-N 3.3Å; V61-S63 PolarHBondContact O-N 3.02Å; V61-S63 VanDerWaalsContact O-N 3.12Å; V61-L64 HydrophobicContact CB-CD1 4.48Å; V61-L64 HydrophobicContact CG1-CB 4.36Å; V61-L64 HydrophobicContact CG1-CD1 3.85Å; V61-L64 HydrophobicContact CG1-CG 3.86Å; V61-L64 PolarHBondContact O-N 2.96Å; V61-L64 VanDerWaalsContact O-N 3.11Å
62	P	91.1	Very high	89	Confident	87 Å²	87	59.3 Å²	59.3	57%	0.565	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-62.9	-24.3	-173.8	-24.8	34.6	0	0	0	114.3	I58 L64 C65	I58-P62 WeakPolarHBondContact O-CA 2.86Å; I58-P62 WeakPolarHBondContact O-CD 3.43Å; I58-P62 WeakPolarHBondContact O-CG 3.44Å; P62-L64 PolarHBondContact O-N 2.98Å; P62-C65 WeakPolarHBondContact O-CB 3.29Å; P62-C65 PolarHBondContact O-N 3.39Å
63	S	90.6	Very high	88.6	Confident	93 Å²	93	55.4 Å²	55.4	65%	0.65	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-63.9	-23	178	53.3	0	0	0	0	113.6	V61	V61-S63 PolarHBondContact O-N 3.02Å; V61-S63 VanDerWaalsContact O-N 3.12Å
64	L	89.3	Confident	88.3	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.005	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-96.6	10.5	179.1	-63.6	179.6	0	0	0	112.9	Q34 L35 V61 P62 E66 D67 L68	Q34-L64 HydrophobicContact CB-CD1 3.86Å; L35-L64 HydrophobicContact CB-CD1 4.38Å; L35-L64 HydrophobicContact CB-CD2 4.38Å; V61-L64 HydrophobicContact CB-CD1 4.48Å; V61-L64 HydrophobicContact CG1-CB 4.36Å; V61-L64 HydrophobicContact CG1-CD1 3.85Å; V61-L64 HydrophobicContact CG1-CG 3.86Å; V61-L64 PolarHBondContact O-N 2.96Å; V61-L64 VanDerWaalsContact O-N 3.11Å; P62-L64 PolarHBondContact O-N 2.98Å; L64-E66 VanDerWaalsContact C-N 3.35Å; L64-E66 PolarHBondContact O-N 3.38Å; L64-D67 PolarHBondContact O-N 3.25Å; L64-L68 HydrophobicContact CB-CD1 3.93Å; L64-L68 HydrophobicContact CB-CG 3.98Å; L64-L68 VanDerWaalsContact O-CB 3.31Å; L64-L68 WeakPolarHBondContact O-CB 3.32Å; L64-L68 WeakPolarHBondContact O-CG 3.15Å; L64-L68 PolarHBondContact O-N 3.01Å
65	C	85.3	Confident	88.3	Confident	40 Å²	40	58.4 Å²	58.4	27%	0.27	34%	0.337	S	S	.	.	H	α-helix	trans	-54.8	-47.1	-173.8	-175.9	0	0	0	0	113	I58 P62 L69	I58-C65 HydrophobicContact CG2-CB 4.05Å; P62-C65 WeakPolarHBondContact O-CB 3.29Å; P62-C65 PolarHBondContact O-N 3.39Å; C65-L69 WeakPolarHBondContact O-CB 3.48Å; C65-L69 VanDerWaalsContact O-CG 3.26Å; C65-L69 WeakPolarHBondContact O-CG 3.33Å; C65-L69 PolarHBondContact O-N 2.97Å
66	E	83.4	Confident	88.4	Confident	161 Å²	161	55.8 Å²	55.8	75%	0.752	32%	0.318	S	S	*	.	H	α-helix	trans	-69.1	-41.8	-179.2	-64.7	-169	163.4	0	0	112	L64 S70	L64-E66 VanDerWaalsContact C-N 3.35Å; L64-E66 PolarHBondContact O-N 3.38Å; E66-S70 WeakPolarHBondContact O-CB 3.41Å; E66-S70 PolarHBondContact O-N 3.12Å; E66-S70 PolarHBondContact O-OG 3.25Å
67	D	86.1	Confident	88.4	Confident	70 Å²	70	56.5 Å²	56.5	37%	0.374	32%	0.318	S	S	.	.	H	α-helix	trans	-66.3	-39.1	178.7	-63.2	-33.3	0	0	0	111.7	L35 L64 S70 S71	L35-D67 HydrophobicContact CD1-CB 3.89Å; L35-D67 HydrophobicContact CD2-CB 4.13Å; L64-D67 PolarHBondContact O-N 3.25Å; D67-S70 WeakPolarHBondContact CA-OG 3.28Å; D67-S70 PolarHBondContact O-OG 3.26Å; D67-S71 WeakPolarHBondContact O-CB 3.41Å; D67-S71 PolarHBondContact O-N 3.17Å; D67-S71 PolarHBondContact O-OG 3.45Å
68	L	86.2	Confident	88.6	Confident	0 Å²	0	60 Å²	60	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-70	-44.1	178.4	-70.5	173.2	0	0	0	112	L35 A38 L54 L57 I58 L64 S70 S71 V72	L35-L68 HydrophobicContact CD1-CD2 4.05Å; A38-L68 HydrophobicContact CB-CD2 3.72Å; L54-L68 HydrophobicContact CD1-CB 4.02Å; L57-L68 HydrophobicContact CD2-CD1 4.25Å; L57-L68 HydrophobicContact CD2-CD2 4.21Å; L57-L68 HydrophobicContact CG-CD1 4.03Å; I58-L68 HydrophobicContact CG1-CD1 4.22Å; L64-L68 HydrophobicContact CB-CD1 3.93Å; L64-L68 HydrophobicContact CB-CG 3.98Å; L64-L68 VanDerWaalsContact O-CB 3.31Å; L64-L68 WeakPolarHBondContact O-CB 3.32Å; L64-L68 WeakPolarHBondContact O-CG 3.15Å; L64-L68 PolarHBondContact O-N 3.01Å; L68-S70 VanDerWaalsContact C-N 3.29Å; L68-S70 PolarHBondContact O-N 3.2Å; L68-S71 PolarHBondContact O-N 3.41Å; L68-V72 HydrophobicContact CD2-CG2 4.33Å; L68-V72 VanDerWaalsContact O-CB 3.23Å; L68-V72 WeakPolarHBondContact O-CB 3.39Å; L68-V72 WeakPolarHBondContact O-CG2 3.32Å; L68-V72 PolarHBondContact O-N 3.27Å
69	L	83.5	Confident	88.9	Confident	38 Å²	38	59.5 Å²	59.5	20%	0.199	34%	0.336	C	S	.	.	H	α-helix	trans	-64.6	-35.2	177.2	-71.4	172.2	0	0	0	111.7	L54 I58 C65	L54-L69 HydrophobicContact CD2-CD2 4.12Å; I58-L69 HydrophobicContact CD1-CD2 4.06Å; I58-L69 HydrophobicContact CD1-CG 4.16Å; C65-L69 WeakPolarHBondContact O-CB 3.48Å; C65-L69 VanDerWaalsContact O-CG 3.26Å; C65-L69 WeakPolarHBondContact O-CG 3.33Å; C65-L69 PolarHBondContact O-N 2.97Å
70	S	82.8	Confident	89.1	Confident	65 Å²	65	61.3 Å²	61.3	46%	0.455	33%	0.334	S	S	.	.	H	α-helix	trans	-78.5	-24.8	178	59.6	0	0	0	0	114.3	E66 D67 L68	E66-S70 WeakPolarHBondContact O-CB 3.41Å; E66-S70 PolarHBondContact O-N 3.12Å; E66-S70 PolarHBondContact O-OG 3.25Å; D67-S70 WeakPolarHBondContact CA-OG 3.28Å; D67-S70 PolarHBondContact O-OG 3.26Å; L68-S70 VanDerWaalsContact C-N 3.29Å; L68-S70 PolarHBondContact O-N 3.2Å
71	S	83.8	Confident	89.2	Confident	59 Å²	59	55.4 Å²	55.4	41%	0.413	30%	0.303	S	S	.	.	H	α-helix	trans	-104.4	-21.7	-174.2	-57	0	0	0	0	114.6	D67 L68	D67-S71 WeakPolarHBondContact O-CB 3.41Å; D67-S71 PolarHBondContact O-N 3.17Å; D67-S71 PolarHBondContact O-OG 3.45Å; L68-S71 PolarHBondContact O-N 3.41Å
72	V	85.4	Confident	89.4	Confident	14 Å²	14	61.6 Å²	61.6	9%	0.085	33%	0.328	C	S	.	.	S	Bend	trans	-104.3	105.7	-177.3	-176.7	0	0	0	0	110	L39 M42 L54 L68 Q74	L39-V72 HydrophobicContact CD2-CG2 3.62Å; M42-V72 HydrophobicContact CE-CG1 3.79Å; M42-V72 HydrophobicContact CG-CG1 4.36Å; M42-V72 HydrophobicContact CG-CG2 4.31Å; L54-V72 HydrophobicContact CD1-CB 4.16Å; L54-V72 HydrophobicContact CD1-CG1 4.31Å; L54-V72 HydrophobicContact CD1-CG2 4.31Å; L54-V72 HydrophobicContact CD2-CG1 4.5Å; L68-V72 HydrophobicContact CD2-CG2 4.33Å; L68-V72 VanDerWaalsContact O-CB 3.23Å; L68-V72 WeakPolarHBondContact O-CB 3.39Å; L68-V72 WeakPolarHBondContact O-CG2 3.32Å; L68-V72 PolarHBondContact O-N 3.27Å; V72-Q74 PolarHBondContact O-N 3.11Å
73	D	83.4	Confident	89.6	Confident	45 Å²	45	62.2 Å²	62.2	24%	0.241	33%	0.33	C	S	.	.			trans	-61.8	133.2	176.1	-66.8	-52.8	0	0	0	111.3	I50 I180 T201 M203	I50-D73 WeakPolarHBondContact CD1-O 3.18Å; D73-I180 HydrophobicContact CB-CD1 3.97Å; D73-T201 HydrophobicContact CB-CG2 4.3Å; D73-T201 WeakPolarHBondContact OD2-CB 3.48Å; D73-T201 VanDerWaalsContact OD2-CG2 3.28Å; D73-T201 WeakPolarHBondContact OD2-CG2 3.31Å; D73-T201 PolarHBondContact OD2-OG1 2.81Å; D73-M203 HydrophobicContact CB-CE 3.18Å; D73-M203 VanDerWaalsContact O-CE 3.29Å; D73-M203 WeakPolarHBondContact O-CE 3.43Å
74	Q	86.1	Confident	89.8	Confident	44 Å²	44	61.2 Å²	61.2	21%	0.206	32%	0.319	C	S	.	.			trans	-109.9	155.8	175.6	-66.7	177.6	58.8	0	0	112	L54 V72 L76	L54-Q74 VanDerWaalsContact CD2-CD 3.45Å; L54-Q74 HydrophobicContact CD2-CG 3.69Å; V72-Q74 PolarHBondContact O-N 3.11Å; Q74-L76 PolarHBondContact O-N 3.26Å
75	P	90.2	Very high	90	Very high	38 Å²	38	62.7 Å²	62.7	25%	0.247	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-56.3	132.8	171.6	-24.4	34.3	0	0	0	111.1	I50 K77 M203	I50-P75 HydrophobicContact CG2-CG 3.49Å; I50-P75 VanDerWaalsContact CG2-CG 3.49Å; P75-K77 PolarHBondContact O-N 3.34Å; P75-M203 HydrophobicContact CG-SD 4.48Å
76	L	94.3	Very high	90.6	Very high	5 Å²	5	65.5 Å²	65.5	3%	0.026	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-68.3	134.1	-174.9	-59.7	171.8	0	0	0	110.6	Q74 L89 C91 L162 K164 D178 I180	Q74-L76 PolarHBondContact O-N 3.26Å; L76-L89 HydrophobicContact CB-CD2 4.28Å; L76-L89 HydrophobicContact CD1-CD1 4.18Å; L76-C91 HydrophobicContact CD2-CB 4.43Å; L76-L162 HydrophobicContact CD1-CB 4.13Å; L76-L162 HydrophobicContact CD1-CD2 4.3Å; L76-L162 HydrophobicContact CD2-CD1 4.28Å; L76-L162 HydrophobicContact CD2-CD2 3.86Å; L76-K164 HydrophobicContact CB-CB 4.47Å; L76-K164 HydrophobicContact CB-CD 4.22Å; L76-K164 HydrophobicContact CD1-CB 4.48Å; L76-K164 WeakPolarHBondContact O-CD 3.39Å; L76-K164 WeakPolarHBondContact O-CE 3.46Å; L76-K164 PolarHBondContact O-NZ 2.88Å; L76-D178 WeakPolarHBondContact CB-OD1 3.48Å; L76-D178 HydrophobicContact CD1-CB 4.12Å; L76-D178 HydrophobicContact CG-CB 4.25Å; L76-I180 HydrophobicContact CD1-CG1 4.23Å; L76-I180 HydrophobicContact CD2-CD1 4.1Å; L76-I180 HydrophobicContact CD2-CG1 4.06Å; L76-I180 HydrophobicContact CG-CG1 4.33Å
77	K	94.2	Very high	91.2	Very high	97 Å²	97	61 Å²	61	42%	0.422	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	145.8	175.1	-65	173.7	-177.3	170.6	0	109.4	E51 P75 L89 L90	E51-K77 WeakPolarHBondContact OE1-CE 3.5Å; E51-K77 IonicContact OE1-NZ 3.11Å; E51-K77 PolarHBondContact OE1-NZ 2.88Å; P75-K77 PolarHBondContact O-N 3.34Å; K77-L89 WeakPolarHBondContact O-CA 3.46Å; K77-L90 HydrophobicContact CB-CB 4.14Å; K77-L90 HydrophobicContact CB-CD1 4.07Å; K77-L90 HydrophobicContact CB-CG 4.25Å; K77-L90 PolarHBondContact O-N 2.91Å
78	I	96.2	Very high	91.8	Very high	86 Å²	86	57.9 Å²	57.9	44%	0.441	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	129	176.4	-60.3	169.8	0	0	0	108.1	D87 Y88 L89 V145 K164	I78-D87 HydrophobicContact CG2-CB 3.81Å; I78-Y88 WeakPolarHBondContact CA-O 3.21Å; I78-L89 HydrophobicContact CG1-CD2 3.81Å; I78-V145 HydrophobicContact CD1-CG2 4.04Å; I78-V145 HydrophobicContact CG1-CG2 4.43Å; I78-K164 HydrophobicContact CD1-CD 4Å; I78-K164 HydrophobicContact CG1-CD 3.89Å
79	A	96.6	Very high	92.4	Very high	23 Å²	23	57.9 Å²	57.9	19%	0.19	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	163.5	165.1	0	0	0	0	0	109.7	D87 Y88 L90	A79-D87 CarbonylContact O-C 3.54Å; A79-D87 VanDerWaalsContact O-CA 3.31Å; A79-D87 WeakPolarHBondContact O-CA 3.36Å; A79-Y88 HydrophobicContact CB-CD1 4.16Å; A79-Y88 HydrophobicContact CB-CD2 4.41Å; A79-Y88 HydrophobicContact CB-CE1 3.58Å; A79-Y88 HydrophobicContact CB-CE2 3.92Å; A79-Y88 VanDerWaalsContact CB-CZ 3.46Å; A79-Y88 PolarHBondContact N-O 3.14Å; A79-Y88 WeakPolarHBondContact O-CD1 3.32Å; A79-Y88 PolarHBondContact O-N 3.19Å; A79-L90 HydrophobicContact CB-CD1 4.08Å; A79-L90 HydrophobicContact CB-CD2 3.58Å; A79-L90 HydrophobicContact CB-CG 3.97Å
80	R	97.3	Very high	93	Very high	159 Å²	159	57.4 Å²	57.4	60%	0.6	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.2	122.3	179.3	-172.5	161.4	-174.7	164.8	3.5	110.6	K82 G85 D87	R80-K82 PolarHBondContact O-N 3.28Å; R80-G85 PolarHBondContact NE-O 3.01Å; R80-G85 VanDerWaalsContact NE-O 3.13Å; R80-G85 PolarHBondContact NH2-O 2.98Å; R80-D87 WeakPolarHBondContact CD-OD1 3.47Å; R80-D87 WeakPolarHBondContact CG-OD1 3.49Å
81	D	96.3	Very high	93.4	Very high	6 Å²	6	55.2 Å²	55.2	3%	0.032	29%	0.288	C	S	.	.			trans	-68.2	113	173.3	-174.4	-39.5	0	0	0	108.7	V83 V84 G85 K86 Y88 S102 S105	D81-V83 VanDerWaalsContact C-N 3.25Å; D81-V83 PolarHBondContact O-N 3.42Å; D81-V83 WeakPolarHBondContact OD1-CA 3.42Å; D81-V83 VanDerWaalsContact OD1-CB 3.27Å; D81-V83 WeakPolarHBondContact OD1-CB 3.42Å; D81-V83 PolarHBondContact OD1-N 3.21Å; D81-V84 PolarHBondContact OD1-N 3.09Å; D81-V84 VanDerWaalsContact OD1-N 3.1Å; D81-G85 WeakPolarHBondContact O-CA 3.23Å; D81-G85 PolarHBondContact O-N 3.13Å; D81-K86 WeakPolarHBondContact CB-O 3.47Å; D81-K86 PolarHBondContact N-O 2.88Å; D81-Y88 HydrophobicContact CB-CD1 4.12Å; D81-Y88 HydrophobicContact CB-CE1 4.23Å; D81-S102 WeakPolarHBondContact OD2-CB 3.3Å; D81-S102 PolarHBondContact OD2-OG 2.72Å; D81-S105 WeakPolarHBondContact OD2-CB 3.26Å; D81-S105 PolarHBondContact OD2-N 3.15Å; D81-S105 VanDerWaalsContact OD2-N 3.08Å; D81-S105 PolarHBondContact OD2-OG 3.3Å
82	K	95.1	Very high	93.7	Very high	163 Å²	163	54.8 Å²	54.8	71%	0.709	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-19.2	-178.2	-64.1	173.5	-175.7	133.7	0	113.4	R80 D109	R80-K82 PolarHBondContact O-N 3.28Å; K82-D109 IonicContact NZ-OD1 3.57Å; K82-D109 PolarHBondContact NZ-OD1 2.97Å; K82-D109 IonicContact NZ-OD2 3.15Å; K82-D109 PolarHBondContact NZ-OD2 3.34Å
83	V	94.8	Very high	94	Very high	100 Å²	100	57.4 Å²	57.4	61%	0.606	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-48.6	-179.3	-177.1	0	0	0	0	110.5	D81	D81-V83 VanDerWaalsContact C-N 3.25Å; D81-V83 PolarHBondContact O-N 3.42Å; D81-V83 WeakPolarHBondContact OD1-CA 3.42Å; D81-V83 VanDerWaalsContact OD1-CB 3.27Å; D81-V83 WeakPolarHBondContact OD1-CB 3.42Å; D81-V83 PolarHBondContact OD1-N 3.21Å
84	V	95.1	Very high	94.5	Very high	72 Å²	72	55.3 Å²	55.3	44%	0.436	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-16.4	-175.4	-167.6	0	0	0	0	111.9	D81 K86 W104	D81-V84 PolarHBondContact OD1-N 3.09Å; D81-V84 VanDerWaalsContact OD1-N 3.1Å; V84-K86 VanDerWaalsContact C-N 3.29Å; V84-K86 HydrophobicContact CG1-CD 4.12Å; V84-K86 HydrophobicContact CG1-CG 4.13Å; V84-K86 PolarHBondContact O-N 3.48Å; V84-W104 HydrophobicContact CB-CB 4.18Å; V84-W104 HydrophobicContact CG1-CB 4.46Å; V84-W104 HydrophobicContact CG2-CB 3.92Å
85	G	95.1	Very high	94.8	Very high	32 Å²	32	57.2 Å²	57.2	33%	0.33	28%	0.284	S	S	.	.			trans	75.6	15	-179.6	0	0	0	0	0	114.3	R80 D81	R80-G85 PolarHBondContact NE-O 3.01Å; R80-G85 VanDerWaalsContact NE-O 3.13Å; R80-G85 PolarHBondContact NH2-O 2.98Å; D81-G85 WeakPolarHBondContact O-CA 3.23Å; D81-G85 PolarHBondContact O-N 3.13Å
86	K	95.9	Very high	94.9	Very high	99 Å²	99	58.1 Å²	58.1	43%	0.43	29%	0.287	S	S	.	.			trans	-103.4	147.3	-178.7	-70.7	-173.7	175.9	-168.7	0	112	D81 V84 W104	D81-K86 WeakPolarHBondContact CB-O 3.47Å; D81-K86 PolarHBondContact N-O 2.88Å; V84-K86 VanDerWaalsContact C-N 3.29Å; V84-K86 HydrophobicContact CG1-CD 4.12Å; V84-K86 HydrophobicContact CG1-CG 4.13Å; V84-K86 PolarHBondContact O-N 3.48Å; K86-W104 HydrophobicContact CB-CD2 4.36Å; K86-W104 HydrophobicContact CB-CG 4.16Å; K86-W104 HydrophobicContact CD-CD2 3.92Å; K86-W104 HydrophobicContact CD-CE3 4.17Å; K86-W104 HydrophobicContact CD-CG 4.32Å; K86-W104 HydrophobicContact CD-CZ2 4.37Å
87	D	97.9	Very high	94.6	Very high	65 Å²	65	60.2 Å²	60.2	35%	0.348	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	149.6	175.4	-65.1	-18	0	0	0	110.9	I78 A79 R80 W104 V145	I78-D87 HydrophobicContact CG2-CB 3.81Å; A79-D87 CarbonylContact O-C 3.54Å; A79-D87 VanDerWaalsContact O-CA 3.31Å; A79-D87 WeakPolarHBondContact O-CA 3.36Å; R80-D87 WeakPolarHBondContact CD-OD1 3.47Å; R80-D87 WeakPolarHBondContact CG-OD1 3.49Å; D87-W104 PolarHBondContact O-NE1 3.06Å; D87-V145 HydrophobicContact CB-CG1 4.03Å; D87-V145 HydrophobicContact CB-CG2 4.01Å
88	Y	98.3	Very high	94.3	Very high	5 Å²	5	61.6 Å²	61.6	2%	0.02	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	160.3	174.9	68.3	-81.6	0	0	0	110.8	I78 A79 D81 L90 P103 S147 Y149	I78-Y88 WeakPolarHBondContact CA-O 3.21Å; A79-Y88 HydrophobicContact CB-CD1 4.16Å; A79-Y88 HydrophobicContact CB-CD2 4.41Å; A79-Y88 HydrophobicContact CB-CE1 3.58Å; A79-Y88 HydrophobicContact CB-CE2 3.92Å; A79-Y88 VanDerWaalsContact CB-CZ 3.46Å; A79-Y88 PolarHBondContact N-O 3.14Å; A79-Y88 WeakPolarHBondContact O-CD1 3.32Å; A79-Y88 PolarHBondContact O-N 3.19Å; D81-Y88 HydrophobicContact CB-CD1 4.12Å; D81-Y88 HydrophobicContact CB-CE1 4.23Å; Y88-L90 HydrophobicContact CD2-CD2 3.83Å; Y88-L90 HydrophobicContact CE2-CD2 3.33Å; Y88-P103 VanDerWaalsContact CB-CD 3.46Å; Y88-S147 WeakPolarHBondContact CA-OG 3.17Å; Y88-Y149 WeakPolarHBondContact CD2-OH 3.17Å
89	L	98.1	Very high	94.2	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	139.8	-175.4	-62.3	171.4	0	0	0	111.5	L76 K77 I78 N94 V145 S147 Y149 L162 K164	L76-L89 HydrophobicContact CB-CD2 4.28Å; L76-L89 HydrophobicContact CD1-CD1 4.18Å; K77-L89 WeakPolarHBondContact O-CA 3.46Å; I78-L89 HydrophobicContact CG1-CD2 3.81Å; L89-N94 PolarHBondContact O-ND2 2.89Å; L89-V145 WeakPolarHBondContact CD1-O 3.33Å; L89-V145 HydrophobicContact CD2-CB 4.1Å; L89-V145 HydrophobicContact CD2-CG1 4.1Å; L89-V145 HydrophobicContact CG-CB 4.29Å; L89-V145 HydrophobicContact CG-CG1 3.93Å; L89-S147 PolarHBondContact N-OG 3.41Å; L89-Y149 WeakPolarHBondContact O-CE2 3.48Å; L89-Y149 PolarHBondContact O-OH 3.44Å; L89-L162 HydrophobicContact CB-CB 4.02Å; L89-L162 HydrophobicContact CB-CD1 3.79Å; L89-L162 HydrophobicContact CD1-CB 3.57Å; L89-L162 HydrophobicContact CG-CB 4.44Å; L89-K164 HydrophobicContact CD1-CB 4.01Å; L89-K164 HydrophobicContact CD2-CB 3.61Å; L89-K164 HydrophobicContact CD2-CD 4.09Å; L89-K164 HydrophobicContact CD2-CG 4.49Å; L89-K164 HydrophobicContact CG-CB 4.49Å
90	L	95.6	Very high	94.2	Very high	28 Å²	28	59.1 Å²	59.1	15%	0.147	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	132.2	178.8	-50.4	-171.8	0	0	0	110.4	K77 A79 Y88 Y100	K77-L90 HydrophobicContact CB-CB 4.14Å; K77-L90 HydrophobicContact CB-CD1 4.07Å; K77-L90 HydrophobicContact CB-CG 4.25Å; K77-L90 PolarHBondContact O-N 2.91Å; A79-L90 HydrophobicContact CB-CD1 4.08Å; A79-L90 HydrophobicContact CB-CD2 3.58Å; A79-L90 HydrophobicContact CB-CG 3.97Å; Y88-L90 HydrophobicContact CD2-CD2 3.83Å; Y88-L90 HydrophobicContact CE2-CD2 3.33Å; L90-Y100 HydrophobicContact CB-CD1 3.91Å; L90-Y100 HydrophobicContact CB-CE1 3.9Å; L90-Y100 HydrophobicContact CB-CG 4.44Å; L90-Y100 HydrophobicContact CD1-CD1 4.45Å; L90-Y100 HydrophobicContact CD1-CD2 4.11Å; L90-Y100 HydrophobicContact CD1-CE2 4.19Å; L90-Y100 HydrophobicContact CD1-CG 4.24Å; L90-Y100 HydrophobicContact CD2-CD1 3.87Å; L90-Y100 HydrophobicContact CD2-CD2 4.3Å; L90-Y100 HydrophobicContact CD2-CG 3.67Å; L90-Y100 HydrophobicContact CG-CD1 4.3Å; L90-Y100 HydrophobicContact CG-CG 4.34Å
91	C	92.3	Very high	94.2	Very high	19 Å²	19	52 Å²	52	13%	0.128	28%	0.277	C	S	.	.			trans	-148.7	176.1	167.6	67.9	0	0	0	0	109.4	L76 Y93 N94 Y100 L162	L76-C91 HydrophobicContact CD2-CB 4.43Å; C91-Y93 PolarHBondContact O-N 2.76Å; C91-N94 PolarHBondContact N-OD1 3.01Å; C91-N94 PolarHBondContact O-N 3.46Å; C91-N94 PolarHBondContact O-OD1 3.04Å; C91-Y100 WeakPolarHBondContact O-CE1 3.29Å; C91-L162 HydrophobicContact CB-CD1 4.02Å
92	D	89.2	Confident	94.3	Very high	50 Å²	50	51.8 Å²	51.8	27%	0.267	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-67.8	-24.9	179.7	-64.2	-58.5	0	0	0	112.7	N94 R95	D92-N94 VanDerWaalsContact C-N 3.29Å; D92-N94 PolarHBondContact O-N 2.85Å; D92-R95 WeakPolarHBondContact O-CB 3.41Å; D92-R95 PolarHBondContact O-N 2.87Å; D92-R95 IonicContact OD1-NH1 3.3Å
93	Y	91.4	Very high	94.4	Very high	70 Å²	70	44.1 Å²	44.1	28%	0.275	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-71.4	-17.2	179.2	-55.7	-70.9	0	0	0	114.8	C91 W151 V160 V182	C91-Y93 PolarHBondContact O-N 2.76Å; Y93-W151 AromaticContact CD1-CH2 3.59Å; Y93-W151 HydrophobicContact CD1-CH2 3.59Å; Y93-W151 HydrophobicContact CD1-CZ2 4.09Å; Y93-W151 HydrophobicContact CD1-CZ3 4.02Å; Y93-W151 HydrophobicContact CE1-CH2 4.05Å; Y93-W151 HydrophobicContact CE1-CZ2 4.36Å; Y93-W151 HydrophobicContact CG-CH2 4.04Å; Y93-W151 HydrophobicContact CG-CZ3 4.11Å; Y93-V160 HydrophobicContact CD2-CB 3.95Å; Y93-V160 HydrophobicContact CD2-CG1 4.01Å; Y93-V160 HydrophobicContact CD2-CG2 3.93Å; Y93-V160 HydrophobicContact CE2-CG2 4.29Å; Y93-V160 HydrophobicContact CG-CB 4.33Å; Y93-V160 HydrophobicContact CG-CG1 4.16Å; Y93-V182 HydrophobicContact CE2-CG2 3.67Å
94	N	94.7	Very high	94.6	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-112.2	12.6	172.3	78.6	-49.8	0	0	0	112.9	L89 C91 D92 Y100 R101 Y149	L89-N94 PolarHBondContact O-ND2 2.89Å; C91-N94 PolarHBondContact N-OD1 3.01Å; C91-N94 PolarHBondContact O-N 3.46Å; C91-N94 PolarHBondContact O-OD1 3.04Å; D92-N94 VanDerWaalsContact C-N 3.29Å; D92-N94 PolarHBondContact O-N 2.85Å; N94-Y100 CarbonylContact O-C 3.46Å; N94-Y100 WeakPolarHBondContact O-CA 3.49Å; N94-R101 PolarHBondContact ND2-O 2.84Å; N94-R101 PolarHBondContact O-N 2.95Å; N94-Y149 HydrophobicContact CB-CD1 3.64Å; N94-Y149 HydrophobicContact CB-CD2 3.65Å; N94-Y149 HydrophobicContact CB-CE1 3.66Å; N94-Y149 HydrophobicContact CB-CE2 3.65Å; N94-Y149 HydrophobicContact CB-CG 3.63Å; N94-Y149 PolarHBondContact ND2-OH 2.81Å; N94-Y149 VanDerWaalsContact ND2-OH 3.09Å
95	R	93.4	Very high	94.6	Very high	83 Å²	83	39.2 Å²	39.2	31%	0.313	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	140.9	179.1	-170.6	-178.1	175.9	-173.2	-3.8	110.6	D92 G97 D98 S99 Y100	D92-R95 WeakPolarHBondContact O-CB 3.41Å; D92-R95 PolarHBondContact O-N 2.87Å; D92-R95 IonicContact OD1-NH1 3.3Å; R95-G97 WeakPolarHBondContact CG-O 3.39Å; R95-G97 PolarHBondContact NE-O 2.83Å; R95-G97 PolarHBondContact NH2-O 3.44Å; R95-D98 IonicContact NH2-OD1 3.89Å; R95-D98 PolarHBondContact NH2-OD1 2.68Å; R95-D98 VanDerWaalsContact NH2-OD1 3.11Å; R95-S99 CarbonylContact C-O 3.57Å; R95-S99 WeakPolarHBondContact CA-O 3.28Å; R95-Y100 HydrophobicContact CB-CD1 3.85Å; R95-Y100 HydrophobicContact CB-CE1 3.6Å; R95-Y100 HydrophobicContact CG-CD1 4.17Å; R95-Y100 HydrophobicContact CG-CE1 3.71Å; R95-Y100 HydrophobicContact CG-CE2 4.41Å
96	D	90.3	Very high	94.7	Very high	57 Å²	57	39.5 Å²	39.5	31%	0.305	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	120.1	165.2	-163.1	-20.8	0	0	0	108.2	D98 S99 Y108 L112 G115 A116	D96-D98 PolarHBondContact O-N 3.26Å; D96-D98 VanDerWaalsContact O-N 3.14Å; D96-S99 PolarHBondContact N-O 3.37Å; D96-S99 PolarHBondContact O-N 3.37Å; D96-Y108 HydrophobicContact CB-CD1 4.33Å; D96-Y108 HydrophobicContact CB-CE1 3.5Å; D96-L112 HydrophobicContact CB-CD1 4.11Å; D96-L112 WeakPolarHBondContact O-CD1 3.36Å; D96-G115 VanDerWaalsContact OD2-CA 3.31Å; D96-G115 WeakPolarHBondContact OD2-CA 3.47Å; D96-A116 PolarHBondContact OD2-N 3.43Å
97	G	88.1	Confident	94.7	Very high	49 Å²	49	41.1 Å²	41.1	51%	0.505	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	-117.8	-165.4	0	0	0	0	0	111.3	R95	R95-G97 WeakPolarHBondContact CG-O 3.39Å; R95-G97 PolarHBondContact NE-O 2.83Å; R95-G97 PolarHBondContact NH2-O 3.44Å
98	D	88.8	Confident	94.7	Very high	127 Å²	127	39 Å²	39	68%	0.679	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106	14	177.5	-64.6	-40.3	0	0	0	113.6	R95 D96	R95-D98 IonicContact NH2-OD1 3.89Å; R95-D98 PolarHBondContact NH2-OD1 2.68Å; R95-D98 VanDerWaalsContact NH2-OD1 3.11Å; D96-D98 PolarHBondContact O-N 3.26Å; D96-D98 VanDerWaalsContact O-N 3.14Å
99	S	93.9	Very high	94.5	Very high	6 Å²	6	41.4 Å²	41.4	4%	0.042	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	150.7	-177.8	-51.3	0	0	0	0	111.5	R95 D96 D109 P110 L112	R95-S99 CarbonylContact C-O 3.57Å; R95-S99 WeakPolarHBondContact CA-O 3.28Å; D96-S99 PolarHBondContact N-O 3.37Å; D96-S99 PolarHBondContact O-N 3.37Å; S99-D109 WeakPolarHBondContact CA-O 3.49Å; S99-P110 WeakPolarHBondContact CB-O 3.12Å; S99-P110 WeakPolarHBondContact OG-CD 3.37Å; S99-P110 PolarHBondContact OG-O 2.94Å; S99-L112 WeakPolarHBondContact OG-CG 3.44Å
100	Y	96.8	Very high	94.4	Very high	50 Å²	50	44.8 Å²	44.8	20%	0.196	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	131.6	-179.4	-65.5	-93.8	0	0	0	111.9	L90 C91 N94 R95 Y108 D109	L90-Y100 HydrophobicContact CB-CD1 3.91Å; L90-Y100 HydrophobicContact CB-CE1 3.9Å; L90-Y100 HydrophobicContact CB-CG 4.44Å; L90-Y100 HydrophobicContact CD1-CD1 4.45Å; L90-Y100 HydrophobicContact CD1-CD2 4.11Å; L90-Y100 HydrophobicContact CD1-CE2 4.19Å; L90-Y100 HydrophobicContact CD1-CG 4.24Å; L90-Y100 HydrophobicContact CD2-CD1 3.87Å; L90-Y100 HydrophobicContact CD2-CD2 4.3Å; L90-Y100 HydrophobicContact CD2-CG 3.67Å; L90-Y100 HydrophobicContact CG-CD1 4.3Å; L90-Y100 HydrophobicContact CG-CG 4.34Å; C91-Y100 WeakPolarHBondContact O-CE1 3.29Å; N94-Y100 CarbonylContact O-C 3.46Å; N94-Y100 WeakPolarHBondContact O-CA 3.49Å; R95-Y100 HydrophobicContact CB-CD1 3.85Å; R95-Y100 HydrophobicContact CB-CE1 3.6Å; R95-Y100 HydrophobicContact CG-CD1 4.17Å; R95-Y100 HydrophobicContact CG-CE1 3.71Å; R95-Y100 HydrophobicContact CG-CE2 4.41Å; Y100-Y108 WeakPolarHBondContact O-CA 3.13Å; Y100-D109 PolarHBondContact N-O 3.03Å; Y100-D109 PolarHBondContact O-N 3.04Å
101	R	97.8	Very high	94.4	Very high	9 Å²	9	48.9 Å²	48.9	3%	0.034	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	124.9	178.5	-169.8	168.8	61.2	82.1	1.7	110.4	N94 N106 K107 Y108 E126 Y149	N94-R101 PolarHBondContact ND2-O 2.84Å; N94-R101 PolarHBondContact O-N 2.95Å; R101-N106 PolarHBondContact NH1-OD1 2.86Å; R101-N106 VanDerWaalsContact NH1-OD1 3.12Å; R101-K107 WeakPolarHBondContact CA-O 3.48Å; R101-Y108 HydrophobicContact CB-CD1 4.02Å; R101-Y108 HydrophobicContact CB-CD2 4.23Å; R101-Y108 HydrophobicContact CB-CE1 3.72Å; R101-Y108 HydrophobicContact CB-CE2 3.93Å; R101-Y108 HydrophobicContact CB-CG 4.28Å; R101-Y108 HydrophobicContact CG-CD2 4.4Å; R101-Y108 HydrophobicContact CG-CE2 4.13Å; R101-E126 IonicContact CZ-OE1 2.73Å; R101-E126 IonicContact CZ-OE2 2.65Å; R101-E126 IonicContact NH1-OE1 3.37Å; R101-E126 PolarHBondContact NH1-OE1 3.27Å; R101-E126 VanDerWaalsContact NH1-OE1 3.09Å; R101-E126 IonicContact NH1-OE2 3.92Å; R101-E126 PolarHBondContact NH1-OE2 3.42Å; R101-E126 IonicContact NH2-OE1 3.93Å; R101-E126 PolarHBondContact NH2-OE1 3.34Å; R101-Y149 WeakPolarHBondContact O-CE1 3.12Å
102	S	98	Very high	94.4	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.014	27%	0.272	C	S	.	.			trans	-77.1	136.5	170.8	169.8	0	0	0	0	111.1	D81 W104 N106 K107	D81-S102 WeakPolarHBondContact OD2-CB 3.3Å; D81-S102 PolarHBondContact OD2-OG 2.72Å; S102-W104 PolarHBondContact O-N 3.14Å; S102-W104 PolarHBondContact OG-N 2.74Å; S102-W104 VanDerWaalsContact OG-N 3.14Å; S102-N106 VanDerWaalsContact O-CA 3.24Å; S102-N106 WeakPolarHBondContact O-CA 3.34Å; S102-N106 PolarHBondContact O-N 3.35Å; S102-K107 PolarHBondContact N-O 2.82Å
103	P	97.8	Very high	94.1	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.013	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-16.5	176.4	31.6	-32.2	0	0	0	111.6	Y88 R123 Y149	Y88-P103 VanDerWaalsContact CB-CD 3.46Å; P103-R123 VanDerWaalsContact O-CZ 3.27Å; P103-R123 PolarHBondContact O-NH1 2.98Å; P103-R123 PolarHBondContact O-NH2 3.49Å; P103-Y149 HydrophobicContact CB-CD1 4.29Å; P103-Y149 HydrophobicContact CB-CE1 3.75Å; P103-Y149 WeakPolarHBondContact CD-OH 3.26Å; P103-Y149 HydrophobicContact CG-CE1 3.95Å
104	W	97.4	Very high	94	Very high	42 Å²	42	61.6 Å²	61.6	16%	0.159	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-62.5	-176.9	-47.4	113.6	0	0	0	111.6	V84 K86 D87 S102 R123 N130	V84-W104 HydrophobicContact CB-CB 4.18Å; V84-W104 HydrophobicContact CG1-CB 4.46Å; V84-W104 HydrophobicContact CG2-CB 3.92Å; K86-W104 HydrophobicContact CB-CD2 4.36Å; K86-W104 HydrophobicContact CB-CG 4.16Å; K86-W104 HydrophobicContact CD-CD2 3.92Å; K86-W104 HydrophobicContact CD-CE3 4.17Å; K86-W104 HydrophobicContact CD-CG 4.32Å; K86-W104 HydrophobicContact CD-CZ2 4.37Å; D87-W104 PolarHBondContact O-NE1 3.06Å; S102-W104 PolarHBondContact O-N 3.14Å; S102-W104 PolarHBondContact OG-N 2.74Å; S102-W104 VanDerWaalsContact OG-N 3.14Å; W104-R123 PolarHBondContact O-NH2 2.92Å; W104-N130 HydrophobicContact CZ3-CB 4.26Å
105	S	96.5	Very high	93.7	Very high	28 Å²	28	62.3 Å²	62.3	20%	0.196	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-14.1	180	59.6	0	0	0	0	114.2	D81 K107	D81-S105 WeakPolarHBondContact OD2-CB 3.26Å; D81-S105 PolarHBondContact OD2-N 3.15Å; D81-S105 VanDerWaalsContact OD2-N 3.08Å; D81-S105 PolarHBondContact OD2-OG 3.3Å; S105-K107 PolarHBondContact O-N 3.22Å; S105-K107 PolarHBondContact OG-N 3.17Å
106	N	96.9	Very high	93.6	Very high	37 Å²	37	60.2 Å²	60.2	20%	0.198	33%	0.334	C	S	.	.			trans	57.8	33.8	-171.1	-152.6	29.6	0	0	0	112.8	R101 S102 M117 R123	R101-N106 PolarHBondContact NH1-OD1 2.86Å; R101-N106 VanDerWaalsContact NH1-OD1 3.12Å; S102-N106 VanDerWaalsContact O-CA 3.24Å; S102-N106 WeakPolarHBondContact O-CA 3.34Å; S102-N106 PolarHBondContact O-N 3.35Å; N106-M117 HydrophobicContact CB-CE 4.29Å; N106-M117 WeakPolarHBondContact ND2-CE 3.38Å; N106-M117 WeakPolarHBondContact O-CE 3.44Å; N106-M117 WeakPolarHBondContact OD1-CE 3.31Å; N106-R123 VanDerWaalsContact CG-NE 3.3Å; N106-R123 PolarHBondContact ND2-NE 3.36Å
107	K	96.3	Very high	93.9	Very high	133 Å²	133	62 Å²	62	58%	0.578	34%	0.341	S	S	*	.			trans	-121.3	147.2	178.9	-66.9	-173.2	177.8	-175	0	110.5	R101 S102 S105	R101-K107 WeakPolarHBondContact CA-O 3.48Å; S102-K107 PolarHBondContact N-O 2.82Å; S105-K107 PolarHBondContact O-N 3.22Å; S105-K107 PolarHBondContact OG-N 3.17Å
108	Y	97.1	Very high	94.2	Very high	22 Å²	22	60.4 Å²	60.4	9%	0.086	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	141.8	170.4	-78.2	-87.9	0	0	0	110.8	D96 Y100 R101 P110 P111 L112 A116 M117	D96-Y108 HydrophobicContact CB-CD1 4.33Å; D96-Y108 HydrophobicContact CB-CE1 3.5Å; Y100-Y108 WeakPolarHBondContact O-CA 3.13Å; R101-Y108 HydrophobicContact CB-CD1 4.02Å; R101-Y108 HydrophobicContact CB-CD2 4.23Å; R101-Y108 HydrophobicContact CB-CE1 3.72Å; R101-Y108 HydrophobicContact CB-CE2 3.93Å; R101-Y108 HydrophobicContact CB-CG 4.28Å; R101-Y108 HydrophobicContact CG-CD2 4.4Å; R101-Y108 HydrophobicContact CG-CE2 4.13Å; Y108-P110 CarbonylContact C-O 3.52Å; Y108-P110 WeakPolarHBondContact CB-O 3.39Å; Y108-P110 CarbonylContact O-C 3.56Å; Y108-P111 WeakPolarHBondContact O-CA 3.23Å; Y108-L112 HydrophobicContact CD1-CD1 4.21Å; Y108-L112 HydrophobicContact CG-CB 4.48Å; Y108-L112 HydrophobicContact CG-CD1 4.31Å; Y108-A116 PolarHBondContact OH-O 3.33Å; Y108-M117 HydrophobicContact CD2-SD 4.32Å; Y108-M117 HydrophobicContact CE2-SD 3.83Å
109	D	94.8	Very high	94.5	Very high	54 Å²	54	56.5 Å²	56.5	29%	0.289	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	120.6	165.7	-166.4	15.9	0	0	0	108.9	K82 S99 Y100	K82-D109 IonicContact NZ-OD1 3.57Å; K82-D109 PolarHBondContact NZ-OD1 2.97Å; K82-D109 IonicContact NZ-OD2 3.15Å; K82-D109 PolarHBondContact NZ-OD2 3.34Å; S99-D109 WeakPolarHBondContact CA-O 3.49Å; Y100-D109 PolarHBondContact N-O 3.03Å; Y100-D109 PolarHBondContact O-N 3.04Å
110	P	95.9	Very high	94.6	Very high	71 Å²	71	60.6 Å²	60.6	46%	0.461	34%	0.339	S	S	.	.	S	Bend	cis	-55.9	158.3	-8.1	-25.6	36.3	0	0	0	114.7	S99 Y108 L112	S99-P110 WeakPolarHBondContact CB-O 3.12Å; S99-P110 WeakPolarHBondContact OG-CD 3.37Å; S99-P110 PolarHBondContact OG-O 2.94Å; Y108-P110 CarbonylContact C-O 3.52Å; Y108-P110 WeakPolarHBondContact CB-O 3.39Å; Y108-P110 CarbonylContact O-C 3.56Å; P110-L112 PolarHBondContact O-N 3.42Å
111	P	94.4	Very high	94.5	Very high	115 Å²	115	67.1 Å²	67.1	75%	0.747	36%	0.363	S	S	*	.			trans	-62.6	133.1	-179.8	-23.5	34.3	0	0	0	112.7	Y108	Y108-P111 WeakPolarHBondContact O-CA 3.23Å
112	L	92.4	Very high	94.4	Very high	68 Å²	68	67.1 Å²	67.1	36%	0.356	36%	0.364	S	S	.	.			trans	-120.9	142.8	172.8	-67.4	179.7	0	0	0	110.5	D96 S99 Y108 P110	D96-L112 HydrophobicContact CB-CD1 4.11Å; D96-L112 WeakPolarHBondContact O-CD1 3.36Å; S99-L112 WeakPolarHBondContact OG-CG 3.44Å; Y108-L112 HydrophobicContact CD1-CD1 4.21Å; Y108-L112 HydrophobicContact CG-CB 4.48Å; Y108-L112 HydrophobicContact CG-CD1 4.31Å; P110-L112 PolarHBondContact O-N 3.42Å
113	E	84.6	Confident	94.4	Very high	207 Å²	207	68.6 Å²	68.6	97%	0.967	37%	0.369	S	S	*	.	S	Bend	trans	-85.2	-30.3	177.8	-68	-169	165.4	0	0	112.6
114	D	88.4	Confident	94.4	Very high	131 Å²	131	75.1 Å²	75.1	70%	0.701	40%	0.397	S	S	*	.	S	Bend	trans	-121.7	25.5	-172.5	64.9	-31.6	0	0	0	113.9
115	G	88.8	Confident	94.3	Very high	15 Å²	15	74.9 Å²	74.9	16%	0.155	40%	0.399	C	S	.	.			trans	-64.5	149.1	178.1	0	0	0	0	0	113.3	D96 M117	D96-G115 VanDerWaalsContact OD2-CA 3.31Å; D96-G115 WeakPolarHBondContact OD2-CA 3.47Å; G115-M117 WeakPolarHBondContact O-CG 3.39Å; G115-M117 PolarHBondContact O-N 3.2Å
116	A	91.8	Very high	94.4	Very high	40 Å²	40	73.5 Å²	73.5	33%	0.331	39%	0.39	S	S	.	.			trans	-63	120.8	177	0	0	0	0	0	112.3	D96 Y108	D96-A116 PolarHBondContact OD2-N 3.43Å; Y108-A116 PolarHBondContact OH-O 3.33Å
117	M	94.8	Very high	94.5	Very high	94 Å²	94	74.5 Å²	74.5	46%	0.463	40%	0.397	S	S	.	.			trans	-119.6	139.5	-177.9	-62.2	-59	-76.3	0	0	111.5	N106 Y108 G115	N106-M117 HydrophobicContact CB-CE 4.29Å; N106-M117 WeakPolarHBondContact ND2-CE 3.38Å; N106-M117 WeakPolarHBondContact O-CE 3.44Å; N106-M117 WeakPolarHBondContact OD1-CE 3.31Å; Y108-M117 HydrophobicContact CD2-SD 4.32Å; Y108-M117 HydrophobicContact CE2-SD 3.83Å; G115-M117 WeakPolarHBondContact O-CG 3.39Å; G115-M117 PolarHBondContact O-N 3.2Å
118	P	95.2	Very high	94.5	Very high	15 Å²	15	72.6 Å²	72.6	10%	0.097	39%	0.39	C	S	.	.			trans	-66	153.2	172.9	27.5	-33.5	0	0	0	111	L122 R123	P118-L122 HydrophobicContact CB-CB 4.32Å; P118-L122 HydrophobicContact CB-CD2 4.29Å; P118-L122 HydrophobicContact CB-CG 4.45Å; P118-R123 HydrophobicContact CG-CB 4.1Å
119	S	96	Very high	94.6	Very high	46 Å²	46	71.8 Å²	71.8	32%	0.322	39%	0.388	S	S	.	.			trans	-57.8	154.7	172.8	72.8	0	0	0	0	111.7	R121 L122 R123 D152	S119-R121 PolarHBondContact O-N 3.04Å; S119-L122 PolarHBondContact O-N 3.3Å; S119-L122 WeakPolarHBondContact OG-CB 3.44Å; S119-L122 PolarHBondContact OG-N 3.04Å; S119-R123 WeakPolarHBondContact O-CB 3.28Å; S119-R123 PolarHBondContact O-N 2.81Å; S119-D152 WeakPolarHBondContact CB-OD1 2.95Å; S119-D152 WeakPolarHBondContact CB-OD2 3.48Å; S119-D152 PolarHBondContact N-OD2 3.24Å; S119-D152 PolarHBondContact OG-OD1 3.44Å; S119-D152 PolarHBondContact OG-OD2 3.07Å
120	A	95.7	Very high	94.7	Very high	92 Å²	92	69.3 Å²	69.3	76%	0.76	38%	0.375	S	S	*	.	H	α-helix	trans	-58	-35	-177.7	0	0	0	0	0	113	K124	A120-K124 PolarHBondContact O-N 3.43Å
121	R	94.1	Very high	94.8	Very high	186 Å²	186	69.9 Å²	69.9	70%	0.702	37%	0.374	S	S	*	.	H	α-helix	trans	-65.4	-49.4	173.8	178.1	-178.4	169.5	-158.7	-10	110.5	S119 K124 L125 E187	S119-R121 PolarHBondContact O-N 3.04Å; R121-K124 PolarHBondContact O-N 2.96Å; R121-L125 PolarHBondContact O-N 2.84Å; R121-E187 IonicContact NH2-OE1 3.77Å
122	L	96.1	Very high	95	Very high	9 Å²	9	66.1 Å²	66.1	5%	0.047	35%	0.353	C	S	.	.	H	α-helix	trans	-69.2	-34.8	-176.7	-167.5	64.2	0	0	0	112.1	P118 S119 K124 L125 E126 L150 D152 F157	P118-L122 HydrophobicContact CB-CB 4.32Å; P118-L122 HydrophobicContact CB-CD2 4.29Å; P118-L122 HydrophobicContact CB-CG 4.45Å; S119-L122 PolarHBondContact O-N 3.3Å; S119-L122 WeakPolarHBondContact OG-CB 3.44Å; S119-L122 PolarHBondContact OG-N 3.04Å; L122-K124 VanDerWaalsContact C-N 3.31Å; L122-K124 PolarHBondContact O-N 3.49Å; L122-L125 HydrophobicContact CD1-CD2 4.15Å; L122-L125 CarbonylContact O-C 3.57Å; L122-L125 WeakPolarHBondContact O-CB 3.31Å; L122-L125 PolarHBondContact O-N 3.01Å; L122-L125 VanDerWaalsContact O-N 3.15Å; L122-E126 WeakPolarHBondContact O-CB 3.35Å; L122-E126 PolarHBondContact O-N 2.99Å; L122-L150 HydrophobicContact CD1-CB 3.99Å; L122-L150 HydrophobicContact CD1-CD1 3.8Å; L122-L150 HydrophobicContact CD2-CB 3.89Å; L122-L150 HydrophobicContact CG-CB 3.74Å; L122-L150 HydrophobicContact CG-CD1 4.23Å; L122-D152 HydrophobicContact CD2-CB 4.31Å; L122-F157 HydrophobicContact CD1-CB 3.73Å; L122-F157 HydrophobicContact CD1-CD1 4.29Å; L122-F157 HydrophobicContact CD1-CD2 3.85Å; L122-F157 HydrophobicContact CD1-CG 3.7Å; L122-F157 HydrophobicContact CD2-CB 4.07Å
123	R	97.6	Very high	95.3	Very high	34 Å²	34	63.2 Å²	63.2	13%	0.128	34%	0.337	C	S	.	.	H	α-helix	trans	-60.7	-38.7	173.9	179.6	55	-174.2	163.4	6.2	112.3	P103 W104 N106 P118 S119 L125 E126 V127	P103-R123 VanDerWaalsContact O-CZ 3.27Å; P103-R123 PolarHBondContact O-NH1 2.98Å; P103-R123 PolarHBondContact O-NH2 3.49Å; W104-R123 PolarHBondContact O-NH2 2.92Å; N106-R123 VanDerWaalsContact CG-NE 3.3Å; N106-R123 PolarHBondContact ND2-NE 3.36Å; P118-R123 HydrophobicContact CG-CB 4.1Å; S119-R123 WeakPolarHBondContact O-CB 3.28Å; S119-R123 PolarHBondContact O-N 2.81Å; R123-L125 VanDerWaalsContact C-N 3.33Å; R123-E126 VanDerWaalsContact CD-OE2 3.24Å; R123-E126 WeakPolarHBondContact CD-OE2 3.43Å; R123-E126 IonicContact CZ-OE2 2.98Å; R123-E126 IonicContact NE-OE2 3.46Å; R123-E126 IonicContact NH1-OE2 3.78Å; R123-E126 PolarHBondContact NH1-OE2 2.99Å; R123-E126 PolarHBondContact O-N 2.89Å; R123-V127 WeakPolarHBondContact O-CG2 3.34Å; R123-V127 PolarHBondContact O-N 2.88Å
124	K	97.3	Very high	95.9	Very high	139 Å²	139	55.6 Å²	55.6	60%	0.604	30%	0.303	S	S	*	.	H	α-helix	trans	-62.4	-44.5	174.9	-171.9	-176.9	174.6	-170.7	0	110.8	A120 R121 L122 E126 V127 E128	A120-K124 PolarHBondContact O-N 3.43Å; R121-K124 PolarHBondContact O-N 2.96Å; L122-K124 VanDerWaalsContact C-N 3.31Å; L122-K124 PolarHBondContact O-N 3.49Å; K124-E126 VanDerWaalsContact C-N 3.34Å; K124-E126 PolarHBondContact O-N 3.36Å; K124-V127 PolarHBondContact O-N 3.48Å; K124-E128 WeakPolarHBondContact CE-OE1 3.38Å; K124-E128 WeakPolarHBondContact O-CG 3.29Å; K124-E128 PolarHBondContact O-N 3.39Å; K124-E128 VanDerWaalsContact O-N 3.11Å
125	L	96.3	Very high	96.3	Very high	36 Å²	36	55.4 Å²	55.4	19%	0.188	30%	0.298	C	S	.	.	H	α-helix	trans	-63.4	-39.1	175.7	-166.6	71.1	0	0	0	111.9	R121 L122 R123 V127 E128 A129 L150 F157 I239	R121-L125 PolarHBondContact O-N 2.84Å; L122-L125 HydrophobicContact CD1-CD2 4.15Å; L122-L125 CarbonylContact O-C 3.57Å; L122-L125 WeakPolarHBondContact O-CB 3.31Å; L122-L125 PolarHBondContact O-N 3.01Å; L122-L125 VanDerWaalsContact O-N 3.15Å; R123-L125 VanDerWaalsContact C-N 3.33Å; L125-V127 PolarHBondContact O-N 2.96Å; L125-E128 PolarHBondContact O-N 3.02Å; L125-A129 VanDerWaalsContact O-CB 3.29Å; L125-A129 WeakPolarHBondContact O-CB 3.46Å; L125-A129 PolarHBondContact O-N 2.94Å; L125-L150 HydrophobicContact CB-CD1 4.15Å; L125-L150 HydrophobicContact CD2-CD1 4.06Å; L125-L150 HydrophobicContact CG-CD1 4.09Å; L125-F157 HydrophobicContact CD2-CE1 4.15Å; L125-F157 HydrophobicContact CD2-CE2 4.1Å; L125-F157 HydrophobicContact CD2-CZ 3.77Å; L125-I239 HydrophobicContact CD1-CD1 3.61Å; L125-I239 HydrophobicContact CD1-CG1 3.84Å; L125-I239 HydrophobicContact CG-CD1 4.17Å; L125-I239 HydrophobicContact CG-CG1 4.27Å
126	E	98.2	Very high	96.8	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-62.5	-40.9	177	-173.5	-177.1	-118.2	0	0	111.4	R101 L122 R123 K124 A129 N130 Y149 L150	R101-E126 IonicContact CZ-OE1 2.73Å; R101-E126 IonicContact CZ-OE2 2.65Å; R101-E126 IonicContact NH1-OE1 3.37Å; R101-E126 PolarHBondContact NH1-OE1 3.27Å; R101-E126 VanDerWaalsContact NH1-OE1 3.09Å; R101-E126 IonicContact NH1-OE2 3.92Å; R101-E126 PolarHBondContact NH1-OE2 3.42Å; R101-E126 IonicContact NH2-OE1 3.93Å; R101-E126 PolarHBondContact NH2-OE1 3.34Å; L122-E126 WeakPolarHBondContact O-CB 3.35Å; L122-E126 PolarHBondContact O-N 2.99Å; R123-E126 VanDerWaalsContact CD-OE2 3.24Å; R123-E126 WeakPolarHBondContact CD-OE2 3.43Å; R123-E126 IonicContact CZ-OE2 2.98Å; R123-E126 IonicContact NE-OE2 3.46Å; R123-E126 IonicContact NH1-OE2 3.78Å; R123-E126 PolarHBondContact NH1-OE2 2.99Å; R123-E126 PolarHBondContact O-N 2.89Å; K124-E126 VanDerWaalsContact C-N 3.34Å; K124-E126 PolarHBondContact O-N 3.36Å; E126-A129 PolarHBondContact O-N 3.2Å; E126-N130 PolarHBondContact O-N 3.39Å; E126-N130 PolarHBondContact O-ND2 3.37Å; E126-Y149 VanDerWaalsContact OE1-CA 3.23Å; E126-Y149 WeakPolarHBondContact OE1-CA 3.33Å; E126-L150 HydrophobicContact CB-CB 4.25Å; E126-L150 HydrophobicContact CB-CD1 3.91Å; E126-L150 HydrophobicContact CB-CG 3.92Å; E126-L150 HydrophobicContact CG-CB 4.39Å; E126-L150 HydrophobicContact CG-CG 4.1Å; E126-L150 PolarHBondContact OE1-N 3.22Å
127	V	98.2	Very high	97	Very high	58 Å²	58	55.4 Å²	55.4	35%	0.352	29%	0.285	S	S	.	.	H	α-helix	trans	-65.9	-44	175.7	172.3	0	0	0	0	111.3	R123 K124 L125 A129 N130 N131	R123-V127 WeakPolarHBondContact O-CG2 3.34Å; R123-V127 PolarHBondContact O-N 2.88Å; K124-V127 PolarHBondContact O-N 3.48Å; L125-V127 PolarHBondContact O-N 2.96Å; V127-A129 VanDerWaalsContact C-N 3.34Å; V127-N130 PolarHBondContact O-N 3.06Å; V127-N131 PolarHBondContact O-N 3.26Å; V127-N131 VanDerWaalsContact O-N 3.16Å; V127-N131 PolarHBondContact O-ND2 3.01Å
128	E	97.7	Very high	97.1	Very high	92 Å²	92	55.2 Å²	55.2	43%	0.43	29%	0.286	S	S	.	.	H	α-helix	trans	-62.5	-41.5	175.3	-70.9	172.2	-164.6	0	0	111.4	K124 L125 N131 A132 I239	K124-E128 WeakPolarHBondContact CE-OE1 3.38Å; K124-E128 WeakPolarHBondContact O-CG 3.29Å; K124-E128 PolarHBondContact O-N 3.39Å; K124-E128 VanDerWaalsContact O-N 3.11Å; L125-E128 PolarHBondContact O-N 3.02Å; E128-N131 PolarHBondContact O-N 3.18Å; E128-A132 PolarHBondContact O-N 2.83Å; E128-I239 HydrophobicContact CB-CD1 3.55Å
129	A	98	Very high	97.2	Very high	5 Å²	5	61.1 Å²	61.1	4%	0.041	32%	0.316	C	S	.	.	H	α-helix	trans	-65.3	-43.3	177.7	0	0	0	0	0	111.9	L125 E126 V127 N131 A132 F133 V148 I239	L125-A129 VanDerWaalsContact O-CB 3.29Å; L125-A129 WeakPolarHBondContact O-CB 3.46Å; L125-A129 PolarHBondContact O-N 2.94Å; E126-A129 PolarHBondContact O-N 3.2Å; V127-A129 VanDerWaalsContact C-N 3.34Å; A129-N131 VanDerWaalsContact C-N 3.3Å; A129-N131 PolarHBondContact O-N 2.83Å; A129-A132 PolarHBondContact O-N 2.9Å; A129-F133 WeakPolarHBondContact O-CD2 3.49Å; A129-F133 PolarHBondContact O-N 2.88Å; A129-V148 HydrophobicContact CB-CB 4.43Å; A129-V148 HydrophobicContact CB-CG1 3.9Å; A129-I239 HydrophobicContact CB-CD1 4.07Å; A129-I239 HydrophobicContact CB-CG1 4.13Å
130	N	98.3	Very high	97.2	Very high	3 Å²	3	63.7 Å²	63.7	2%	0.016	32%	0.319	C	S	.	.	H	α-helix	trans	-57.7	-43.6	174.5	-86.3	-81.4	0	0	0	111.3	W104 E126 V127 A132 F133 D134 V148	W104-N130 HydrophobicContact CZ3-CB 4.26Å; E126-N130 PolarHBondContact O-N 3.39Å; E126-N130 PolarHBondContact O-ND2 3.37Å; V127-N130 PolarHBondContact O-N 3.06Å; N130-A132 PolarHBondContact O-N 2.68Å; N130-F133 PolarHBondContact O-N 2.92Å; N130-D134 VanDerWaalsContact O-CB 3.24Å; N130-D134 WeakPolarHBondContact O-CB 3.18Å; N130-D134 PolarHBondContact O-N 3.13Å; N130-V148 PolarHBondContact ND2-O 3.48Å; N130-V148 PolarHBondContact OD1-N 2.77Å
131	N	97.8	Very high	97.1	Very high	82 Å²	82	60.6 Å²	60.6	44%	0.439	29%	0.289	S	S	.	.	H	α-helix	trans	-66.4	-37.5	177.8	-68.3	-29.6	0	0	0	112.9	V127 E128 A129 Q135	V127-N131 PolarHBondContact O-N 3.26Å; V127-N131 VanDerWaalsContact O-N 3.16Å; V127-N131 PolarHBondContact O-ND2 3.01Å; E128-N131 PolarHBondContact O-N 3.18Å; A129-N131 VanDerWaalsContact C-N 3.3Å; A129-N131 PolarHBondContact O-N 2.83Å; N131-Q135 PolarHBondContact O-N 2.62Å; N131-Q135 PolarHBondContact O-NE2 3.44Å
132	A	97.8	Very high	97.2	Very high	37 Å²	37	59.7 Å²	59.7	31%	0.306	29%	0.292	S	S	.	.	H	α-helix	trans	-68.2	-45.7	177	0	0	0	0	0	111.6	E128 A129 N130 Q135 Y136 I239	E128-A132 PolarHBondContact O-N 2.83Å; A129-A132 PolarHBondContact O-N 2.9Å; N130-A132 PolarHBondContact O-N 2.68Å; A132-Q135 WeakPolarHBondContact O-CB 3.37Å; A132-Q135 PolarHBondContact O-N 2.81Å; A132-Y136 PolarHBondContact O-N 3.09Å; A132-I239 HydrophobicContact CB-CG2 3.81Å
133	F	98.2	Very high	97	Very high	7 Å²	7	60.3 Å²	60.3	3%	0.031	30%	0.301	C	S	.	.	H	α-helix	trans	-76.9	-21.2	-179.2	-78.9	-74.4	0	0	0	113.7	A129 N130 Y136 R137 V148 I161 I242 V246	A129-F133 WeakPolarHBondContact O-CD2 3.49Å; A129-F133 PolarHBondContact O-N 2.88Å; N130-F133 PolarHBondContact O-N 2.92Å; F133-Y136 HydrophobicContact CD1-CD1 4.15Å; F133-Y136 HydrophobicContact CD1-CG 4.26Å; F133-R137 VanDerWaalsContact O-CB 3.31Å; F133-R137 WeakPolarHBondContact O-CB 3.35Å; F133-R137 PolarHBondContact O-N 2.87Å; F133-V148 HydrophobicContact CB-CG2 3.87Å; F133-V148 HydrophobicContact CD2-CG2 3.79Å; F133-V148 HydrophobicContact CG-CG2 4.09Å; F133-I161 HydrophobicContact CB-CG2 4.23Å; F133-I161 HydrophobicContact CD1-CG2 3.61Å; F133-I161 HydrophobicContact CD2-CG1 4.05Å; F133-I161 HydrophobicContact CD2-CG2 4.21Å; F133-I161 HydrophobicContact CE1-CG1 4.25Å; F133-I161 HydrophobicContact CE1-CG2 3.95Å; F133-I161 HydrophobicContact CE2-CD1 4.47Å; F133-I161 HydrophobicContact CE2-CG1 3.74Å; F133-I161 HydrophobicContact CG-CG1 4.43Å; F133-I161 HydrophobicContact CG-CG2 3.75Å; F133-I161 HydrophobicContact CZ-CD1 4.4Å; F133-I161 HydrophobicContact CZ-CG1 3.85Å; F133-I161 HydrophobicContact CZ-CG2 4.38Å; F133-I242 HydrophobicContact CE2-CG2 4.44Å; F133-I242 HydrophobicContact CZ-CG2 4.14Å; F133-V246 HydrophobicContact CE1-CB 4.15Å; F133-V246 HydrophobicContact CE1-CG1 3.99Å; F133-V246 HydrophobicContact CE1-CG2 4.31Å; F133-V246 HydrophobicContact CZ-CB 4.44Å; F133-V246 HydrophobicContact CZ-CG2 4.22Å
134	D	97.7	Very high	96.9	Very high	46 Å²	46	60.4 Å²	60.4	25%	0.246	31%	0.312	C	S	.	.	H	α-helix	trans	-65.7	-39.6	168.2	-163.5	71.6	0	0	0	111.2	N130 R137 D138	N130-D134 VanDerWaalsContact O-CB 3.24Å; N130-D134 WeakPolarHBondContact O-CB 3.18Å; N130-D134 PolarHBondContact O-N 3.13Å; D134-R137 PolarHBondContact O-NH2 2.68Å; D134-R137 IonicContact OD1-CZ 3.93Å; D134-R137 IonicContact OD1-NH1 3.3Å; D134-R137 PolarHBondContact OD1-NH1 2.95Å; D134-R137 IonicContact OD1-NH2 3.93Å; D134-R137 PolarHBondContact OD1-NH2 3.43Å; D134-R137 IonicContact OD2-NH2 3.72Å; D134-R137 PolarHBondContact OD2-NH2 2.84Å; D134-D138 PolarHBondContact O-N 2.86Å
135	Q	97.4	Very high	96.9	Very high	128 Å²	128	54.6 Å²	54.6	60%	0.598	29%	0.288	S	S	*	.	H	α-helix	trans	-69.5	-43.9	172.4	-70.4	169.9	83.7	0	0	112.1	N131 A132 R137 D138 L139	N131-Q135 PolarHBondContact O-N 2.62Å; N131-Q135 PolarHBondContact O-NE2 3.44Å; A132-Q135 WeakPolarHBondContact O-CB 3.37Å; A132-Q135 PolarHBondContact O-N 2.81Å; Q135-R137 VanDerWaalsContact C-N 3.3Å; Q135-R137 PolarHBondContact O-N 2.88Å; Q135-D138 PolarHBondContact O-N 2.79Å; Q135-L139 WeakPolarHBondContact O-CG 3.43Å; Q135-L139 PolarHBondContact O-N 2.86Å
136	Y	97.8	Very high	97	Very high	24 Å²	24	53 Å²	53	9%	0.094	28%	0.28	C	S	.	.	H	α-helix	trans	-54.6	-48.6	173.5	175.2	-96.6	0	0	0	111.2	A132 F133 D138 L139 Y140 F141 I163 E247 E250	A132-Y136 PolarHBondContact O-N 3.09Å; F133-Y136 HydrophobicContact CD1-CD1 4.15Å; F133-Y136 HydrophobicContact CD1-CG 4.26Å; Y136-D138 VanDerWaalsContact C-N 3.35Å; Y136-D138 PolarHBondContact O-N 2.94Å; Y136-L139 PolarHBondContact O-N 2.88Å; Y136-Y140 AromaticContact CD2-CD2 3.73Å; Y136-Y140 HydrophobicContact CD2-CD2 3.73Å; Y136-Y140 AromaticContact CD2-CE2 3.9Å; Y136-Y140 HydrophobicContact CD2-CE2 3.9Å; Y136-Y140 AromaticContact CE2-CD2 3.44Å; Y136-Y140 HydrophobicContact CE2-CD2 3.44Å; Y136-Y140 VanDerWaalsContact CE2-CD2 3.44Å; Y136-Y140 AromaticContact CE2-CE2 3.46Å; Y136-Y140 HydrophobicContact CE2-CE2 3.46Å; Y136-Y140 VanDerWaalsContact CE2-CE2 3.46Å; Y136-Y140 HydrophobicContact CE2-CG 4.23Å; Y136-Y140 HydrophobicContact CG-CD2 4.38Å; Y136-Y140 AromaticContact CZ-CD2 3.88Å; Y136-Y140 PolarHBondContact O-N 3.33Å; Y136-F141 HydrophobicContact CE1-CE2 4.36Å; Y136-I163 HydrophobicContact CD1-CD1 3.79Å; Y136-I163 HydrophobicContact CE1-CD1 3.73Å; Y136-E247 HydrophobicContact CE2-CB 3.96Å; Y136-E247 HydrophobicContact CE2-CG 4.09Å; Y136-E250 PolarHBondContact OH-OE2 3.02Å; Y136-E250 VanDerWaalsContact OH-OE2 3.08Å
137	R	97.4	Very high	97	Very high	30 Å²	30	53 Å²	53	11%	0.113	28%	0.28	C	S	.	.	H	α-helix	trans	-57.3	-48.6	176	178.8	-149	65.7	-147.4	-12.6	110.7	F133 D134 Q135 L139 Y140 F141 G143 G144 I163	F133-R137 VanDerWaalsContact O-CB 3.31Å; F133-R137 WeakPolarHBondContact O-CB 3.35Å; F133-R137 PolarHBondContact O-N 2.87Å; D134-R137 PolarHBondContact O-NH2 2.68Å; D134-R137 IonicContact OD1-CZ 3.93Å; D134-R137 IonicContact OD1-NH1 3.3Å; D134-R137 PolarHBondContact OD1-NH1 2.95Å; D134-R137 IonicContact OD1-NH2 3.93Å; D134-R137 PolarHBondContact OD1-NH2 3.43Å; D134-R137 IonicContact OD2-NH2 3.72Å; D134-R137 PolarHBondContact OD2-NH2 2.84Å; Q135-R137 VanDerWaalsContact C-N 3.3Å; Q135-R137 PolarHBondContact O-N 2.88Å; R137-L139 VanDerWaalsContact C-N 3.34Å; R137-L139 PolarHBondContact O-N 3.19Å; R137-Y140 PolarHBondContact O-N 3.39Å; R137-F141 HydrophobicContact CG-CB 4.26Å; R137-F141 HydrophobicContact CG-CD2 4.36Å; R137-F141 WeakPolarHBondContact O-CA 3.38Å; R137-F141 VanDerWaalsContact O-CB 3.26Å; R137-F141 WeakPolarHBondContact O-CB 3.38Å; R137-F141 PolarHBondContact O-N 2.8Å; R137-G143 WeakPolarHBondContact CD-O 3.47Å; R137-G143 WeakPolarHBondContact CG-O 3.38Å; R137-G144 PolarHBondContact NH1-O 2.82Å; R137-I163 HydrophobicContact CG-CG2 4.06Å
138	D	96.5	Very high	97	Very high	91 Å²	91	50.2 Å²	50.2	49%	0.487	26%	0.263	S	S	.	.	H	α-helix	trans	-61.1	-42.8	-178.1	-160.7	53.7	0	0	0	112.2	D134 Q135 Y136 E142	D134-D138 PolarHBondContact O-N 2.86Å; Q135-D138 PolarHBondContact O-N 2.79Å; Y136-D138 VanDerWaalsContact C-N 3.35Å; Y136-D138 PolarHBondContact O-N 2.94Å; D138-E142 VanDerWaalsContact O-CA 3.25Å; D138-E142 WeakPolarHBondContact O-CA 3.31Å; D138-E142 PolarHBondContact O-N 2.89Å
139	L	96.6	Very high	97.1	Very high	138 Å²	138	45.9 Å²	45.9	72%	0.723	24%	0.243	S	C	*	.	H	α-helix	trans	-66.3	-37.6	178.9	-69.9	171.4	0	0	0	113.8	Q135 Y136 R137	Q135-L139 WeakPolarHBondContact O-CG 3.43Å; Q135-L139 PolarHBondContact O-N 2.86Å; Y136-L139 PolarHBondContact O-N 2.88Å; R137-L139 VanDerWaalsContact C-N 3.34Å; R137-L139 PolarHBondContact O-N 3.19Å
140	Y	96.3	Very high	97.1	Very high	101 Å²	101	46 Å²	46	40%	0.396	24%	0.243	S	C	.	.	H	α-helix	trans	-95.9	-32	-174.7	-86.3	-87.2	0	0	0	114	Y136 R137 E247	Y136-Y140 AromaticContact CD2-CD2 3.73Å; Y136-Y140 HydrophobicContact CD2-CD2 3.73Å; Y136-Y140 AromaticContact CD2-CE2 3.9Å; Y136-Y140 HydrophobicContact CD2-CE2 3.9Å; Y136-Y140 AromaticContact CE2-CD2 3.44Å; Y136-Y140 HydrophobicContact CE2-CD2 3.44Å; Y136-Y140 VanDerWaalsContact CE2-CD2 3.44Å; Y136-Y140 AromaticContact CE2-CE2 3.46Å; Y136-Y140 HydrophobicContact CE2-CE2 3.46Å; Y136-Y140 VanDerWaalsContact CE2-CE2 3.46Å; Y136-Y140 HydrophobicContact CE2-CG 4.23Å; Y136-Y140 HydrophobicContact CG-CD2 4.38Å; Y136-Y140 AromaticContact CZ-CD2 3.88Å; Y136-Y140 PolarHBondContact O-N 3.33Å; R137-Y140 PolarHBondContact O-N 3.39Å; Y140-E247 HydrophobicContact CE2-CG 4.43Å; Y140-E247 PolarHBondContact OH-OE1 3.43Å
141	F	94.6	Very high	97	Very high	27 Å²	27	48.1 Å²	48.1	12%	0.118	25%	0.25	C	S	.	.	H	α-helix	trans	-114	-12.5	-172.9	-63.2	-96.7	0	0	0	113.2	Y136 R137 G143 I163 K165 W177	Y136-F141 HydrophobicContact CE1-CE2 4.36Å; R137-F141 HydrophobicContact CG-CB 4.26Å; R137-F141 HydrophobicContact CG-CD2 4.36Å; R137-F141 WeakPolarHBondContact O-CA 3.38Å; R137-F141 VanDerWaalsContact O-CB 3.26Å; R137-F141 WeakPolarHBondContact O-CB 3.38Å; R137-F141 PolarHBondContact O-N 2.8Å; F141-G143 PolarHBondContact O-N 2.97Å; F141-I163 HydrophobicContact CD1-CG2 4.36Å; F141-I163 HydrophobicContact CD2-CG2 4.05Å; F141-I163 HydrophobicContact CE1-CG2 4.24Å; F141-I163 HydrophobicContact CE2-CD1 3.89Å; F141-I163 HydrophobicContact CE2-CG2 3.92Å; F141-I163 HydrophobicContact CG-CG2 4.27Å; F141-I163 HydrophobicContact CZ-CD1 4.46Å; F141-I163 HydrophobicContact CZ-CG2 4.01Å; F141-K165 HydrophobicContact CB-CB 4.5Å; F141-K165 HydrophobicContact CB-CG 4.5Å; F141-K165 HydrophobicContact CD1-CB 3.77Å; F141-K165 HydrophobicContact CD1-CG 4.26Å; F141-K165 PolarHBondContact O-NZ 3.06Å; F141-W177 AromaticContact CE1-CD1 3.47Å; F141-W177 VanDerWaalsContact CE1-CD1 3.47Å; F141-W177 HydrophobicContact CE1-CD2 4.3Å; F141-W177 AromaticContact CE1-CG 3.92Å; F141-W177 HydrophobicContact CE1-CG 3.92Å; F141-W177 AromaticContact CE1-NE1 3.58Å; F141-W177 AromaticContact CZ-NE1 3.7Å
142	E	94.4	Very high	96.9	Very high	167 Å²	167	47.6 Å²	47.6	78%	0.78	25%	0.248	S	C	*	.	S	Bend	trans	48.7	47.4	-179.8	-60.3	175.6	-152.3	0	0	111.5	D138	D138-E142 VanDerWaalsContact O-CA 3.25Å; D138-E142 WeakPolarHBondContact O-CA 3.31Å; D138-E142 PolarHBondContact O-N 2.89Å
143	G	93.1	Very high	96.7	Very high	22 Å²	22	49.1 Å²	49.1	23%	0.227	25%	0.251	C	S	.	.	S	Bend	trans	127.9	-163.2	-177.2	0	0	0	0	0	113.8	R137 F141	R137-G143 WeakPolarHBondContact CD-O 3.47Å; R137-G143 WeakPolarHBondContact CG-O 3.38Å; F141-G143 PolarHBondContact O-N 2.97Å
144	G	95.3	Very high	96.3	Very high	35 Å²	35	56.4 Å²	56.4	36%	0.361	29%	0.29	S	S	.	.			trans	84.2	-168.5	-170.1	0	0	0	0	0	112.4	R137 K164	R137-G144 PolarHBondContact NH1-O 2.82Å; G144-K164 CarbonylContact C-O 3.49Å; G144-K164 VanDerWaalsContact CA-O 3.28Å; G144-K164 WeakPolarHBondContact CA-O 3.21Å
145	V	97.8	Very high	96	Very high	17 Å²	17	61.5 Å²	61.5	10%	0.103	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	143.9	-180	-173.9	0	0	0	0	108.4	I78 D87 L89 I163 K164	I78-V145 HydrophobicContact CD1-CG2 4.04Å; I78-V145 HydrophobicContact CG1-CG2 4.43Å; D87-V145 HydrophobicContact CB-CG1 4.03Å; D87-V145 HydrophobicContact CB-CG2 4.01Å; L89-V145 WeakPolarHBondContact CD1-O 3.33Å; L89-V145 HydrophobicContact CD2-CB 4.1Å; L89-V145 HydrophobicContact CD2-CG1 4.1Å; L89-V145 HydrophobicContact CG-CB 4.29Å; L89-V145 HydrophobicContact CG-CG1 3.93Å; V145-I163 WeakPolarHBondContact O-CA 3.37Å; V145-K164 PolarHBondContact N-O 3.26Å; V145-K164 PolarHBondContact O-N 3.28Å
146	S	98.2	Very high	95.8	Very high	2 Å²	2	56 Å²	56	1%	0.014	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	154.3	170.3	55.6	0	0	0	0	110.3	L162	S146-L162 CarbonylContact C-O 3.56Å; S146-L162 WeakPolarHBondContact CA-O 3.44Å; S146-L162 WeakPolarHBondContact CB-O 3.46Å
147	S	98.5	Very high	95.8	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	141	176.4	-61	0	0	0	0	109.9	Y88 L89 L162	Y88-S147 WeakPolarHBondContact CA-OG 3.17Å; L89-S147 PolarHBondContact N-OG 3.41Å; S147-L162 PolarHBondContact N-O 3.01Å; S147-L162 WeakPolarHBondContact O-CB 3.1Å; S147-L162 PolarHBondContact O-N 2.99Å
148	V	98.6	Very high	95.8	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.006	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	131.3	176.2	-176.4	0	0	0	0	109.3	A129 N130 F133 L150 V160 I161	A129-V148 HydrophobicContact CB-CB 4.43Å; A129-V148 HydrophobicContact CB-CG1 3.9Å; N130-V148 PolarHBondContact ND2-O 3.48Å; N130-V148 PolarHBondContact OD1-N 2.77Å; F133-V148 HydrophobicContact CB-CG2 3.87Å; F133-V148 HydrophobicContact CD2-CG2 3.79Å; F133-V148 HydrophobicContact CG-CG2 4.09Å; V148-L150 HydrophobicContact CG1-CD2 4.04Å; V148-L150 HydrophobicContact CG1-CG 4.48Å; V148-V160 VanDerWaalsContact CA-O 3.32Å; V148-V160 WeakPolarHBondContact CA-O 3.47Å; V148-I161 HydrophobicContact CG1-CG1 4.28Å; V148-I161 HydrophobicContact CG2-CB 4.42Å; V148-I161 HydrophobicContact CG2-CG1 4.15Å; V148-I161 HydrophobicContact CG2-CG2 4.1Å
149	Y	98.3	Very high	95.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	132.2	174.1	-51.8	-74.7	0	0	0	110	Y88 L89 N94 R101 P103 E126 G159 V160 L162	Y88-Y149 WeakPolarHBondContact CD2-OH 3.17Å; L89-Y149 WeakPolarHBondContact O-CE2 3.48Å; L89-Y149 PolarHBondContact O-OH 3.44Å; N94-Y149 HydrophobicContact CB-CD1 3.64Å; N94-Y149 HydrophobicContact CB-CD2 3.65Å; N94-Y149 HydrophobicContact CB-CE1 3.66Å; N94-Y149 HydrophobicContact CB-CE2 3.65Å; N94-Y149 HydrophobicContact CB-CG 3.63Å; N94-Y149 PolarHBondContact ND2-OH 2.81Å; N94-Y149 VanDerWaalsContact ND2-OH 3.09Å; R101-Y149 WeakPolarHBondContact O-CE1 3.12Å; P103-Y149 HydrophobicContact CB-CD1 4.29Å; P103-Y149 HydrophobicContact CB-CE1 3.75Å; P103-Y149 WeakPolarHBondContact CD-OH 3.26Å; P103-Y149 HydrophobicContact CG-CE1 3.95Å; E126-Y149 VanDerWaalsContact OE1-CA 3.23Å; E126-Y149 WeakPolarHBondContact OE1-CA 3.33Å; Y149-G159 CarbonylContact O-C 3.47Å; Y149-G159 WeakPolarHBondContact O-CA 3.4Å; Y149-V160 HydrophobicContact CD2-CG1 3.82Å; Y149-V160 HydrophobicContact CG-CG1 4.41Å; Y149-V160 PolarHBondContact N-O 3.34Å; Y149-V160 PolarHBondContact O-N 3.46Å; Y149-L162 HydrophobicContact CD2-CD1 4.18Å; Y149-L162 HydrophobicContact CE2-CD1 3.78Å
150	L	98.1	Very high	95.9	Very high	7 Å²	7	43 Å²	43	4%	0.037	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	147.7	177.4	-54.4	-175.1	0	0	0	110.2	L122 L125 E126 V148 F157 A158	L122-L150 HydrophobicContact CD1-CB 3.99Å; L122-L150 HydrophobicContact CD1-CD1 3.8Å; L122-L150 HydrophobicContact CD2-CB 3.89Å; L122-L150 HydrophobicContact CG-CB 3.74Å; L122-L150 HydrophobicContact CG-CD1 4.23Å; L125-L150 HydrophobicContact CB-CD1 4.15Å; L125-L150 HydrophobicContact CD2-CD1 4.06Å; L125-L150 HydrophobicContact CG-CD1 4.09Å; E126-L150 HydrophobicContact CB-CB 4.25Å; E126-L150 HydrophobicContact CB-CD1 3.91Å; E126-L150 HydrophobicContact CB-CG 3.92Å; E126-L150 HydrophobicContact CG-CB 4.39Å; E126-L150 HydrophobicContact CG-CG 4.1Å; E126-L150 PolarHBondContact OE1-N 3.22Å; V148-L150 HydrophobicContact CG1-CD2 4.04Å; V148-L150 HydrophobicContact CG1-CG 4.48Å; L150-F157 HydrophobicContact CD1-CE2 4.44Å; L150-F157 HydrophobicContact CD2-CD2 4.48Å; L150-F157 HydrophobicContact CD2-CE2 4.46Å; L150-A158 CarbonylContact C-O 3.58Å; L150-A158 WeakPolarHBondContact CA-O 3.37Å
151	W	96.5	Very high	96	Very high	48 Å²	48	38.3 Å²	38.3	18%	0.182	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	147.8	172.7	63.2	94.7	0	0	0	111.5	Y93 F157 A158 V160 V182	Y93-W151 AromaticContact CD1-CH2 3.59Å; Y93-W151 HydrophobicContact CD1-CH2 3.59Å; Y93-W151 HydrophobicContact CD1-CZ2 4.09Å; Y93-W151 HydrophobicContact CD1-CZ3 4.02Å; Y93-W151 HydrophobicContact CE1-CH2 4.05Å; Y93-W151 HydrophobicContact CE1-CZ2 4.36Å; Y93-W151 HydrophobicContact CG-CH2 4.04Å; Y93-W151 HydrophobicContact CG-CZ3 4.11Å; W151-F157 WeakPolarHBondContact O-CA 3.17Å; W151-F157 WeakPolarHBondContact O-CB 3.28Å; W151-A158 HydrophobicContact CD2-CB 4.14Å; W151-A158 VanDerWaalsContact CE2-CB 3.4Å; W151-A158 HydrophobicContact CH2-CB 4.17Å; W151-A158 HydrophobicContact CZ2-CB 3.43Å; W151-A158 VanDerWaalsContact CZ2-CB 3.43Å; W151-A158 PolarHBondContact N-O 3.46Å; W151-A158 PolarHBondContact O-N 2.78Å; W151-V160 HydrophobicContact CZ3-CB 4.22Å; W151-V160 HydrophobicContact CZ3-CG1 4.26Å; W151-V182 HydrophobicContact CH2-CG1 4.32Å
152	D	95.1	Very high	96.1	Very high	71 Å²	71	37 Å²	37	38%	0.38	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	144.7	-176.8	-60.1	-91.6	0	0	0	110.9	S119 L122	S119-D152 WeakPolarHBondContact CB-OD1 2.95Å; S119-D152 WeakPolarHBondContact CB-OD2 3.48Å; S119-D152 PolarHBondContact N-OD2 3.24Å; S119-D152 PolarHBondContact OG-OD1 3.44Å; S119-D152 PolarHBondContact OG-OD2 3.07Å; L122-D152 HydrophobicContact CD2-CB 4.31Å
153	L	94.3	Very high	96.3	Very high	70 Å²	70	29 Å²	29	37%	0.366	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	165.5	170.1	-61.3	177.8	0	0	0	109.4	H155 G156 A158 E184	L153-H155 PolarHBondContact O-N 3.12Å; L153-G156 PolarHBondContact N-O 3.36Å; L153-G156 VanDerWaalsContact O-O 3.13Å; L153-A158 HydrophobicContact CD1-CB 3.88Å; L153-A158 HydrophobicContact CG-CB 4.28Å; L153-E184 HydrophobicContact CD1-CG 3.9Å
154	D	90.3	Very high	96.5	Very high	160 Å²	160	29.4 Å²	29.4	86%	0.856	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-34.9	177.7	-69.5	-31	0	0	0	112.8
155	H	89.9	Confident	96.6	Very high	152 Å²	152	30.6 Å²	30.6	70%	0.704	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-128.9	47.3	-176.1	-61	-36.7	0	0	0	112.4	L153 Q186 E187	L153-H155 PolarHBondContact O-N 3.12Å; H155-Q186 WeakPolarHBondContact O-CA 3.47Å; H155-E187 PolarHBondContact O-N 2.62Å
156	G	94.3	Very high	96.3	Very high	14 Å²	14	32.6 Å²	32.6	14%	0.144	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	140.6	-137.3	175.2	0	0	0	0	0	111.5	L153 V185	L153-G156 PolarHBondContact N-O 3.36Å; L153-G156 VanDerWaalsContact O-O 3.13Å; G156-V185 WeakPolarHBondContact CA-O 3.38Å
157	F	96.9	Very high	95.7	Very high	9 Å²	9	34.4 Å²	34.4	4%	0.039	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	163.1	176.7	67.1	-85.2	0	0	0	110.2	L122 L125 L150 W151 V185 H238 I242	L122-F157 HydrophobicContact CD1-CB 3.73Å; L122-F157 HydrophobicContact CD1-CD1 4.29Å; L122-F157 HydrophobicContact CD1-CD2 3.85Å; L122-F157 HydrophobicContact CD1-CG 3.7Å; L122-F157 HydrophobicContact CD2-CB 4.07Å; L125-F157 HydrophobicContact CD2-CE1 4.15Å; L125-F157 HydrophobicContact CD2-CE2 4.1Å; L125-F157 HydrophobicContact CD2-CZ 3.77Å; L150-F157 HydrophobicContact CD1-CE2 4.44Å; L150-F157 HydrophobicContact CD2-CD2 4.48Å; L150-F157 HydrophobicContact CD2-CE2 4.46Å; W151-F157 WeakPolarHBondContact O-CA 3.17Å; W151-F157 WeakPolarHBondContact O-CB 3.28Å; F157-V185 HydrophobicContact CD1-CB 4.18Å; F157-V185 HydrophobicContact CD1-CG1 4.43Å; F157-V185 HydrophobicContact CD2-CG2 4.39Å; F157-V185 HydrophobicContact CE1-CB 3.91Å; F157-V185 HydrophobicContact CE1-CG1 3.87Å; F157-V185 HydrophobicContact CE1-CG2 4.21Å; F157-V185 HydrophobicContact CE2-CB 4.3Å; F157-V185 HydrophobicContact CE2-CG2 3.84Å; F157-V185 HydrophobicContact CG-CB 4.48Å; F157-V185 HydrophobicContact CZ-CB 3.98Å; F157-V185 HydrophobicContact CZ-CG1 4.15Å; F157-V185 HydrophobicContact CZ-CG2 3.74Å; F157-V185 PolarHBondContact N-O 2.67Å; F157-V185 VanDerWaalsContact N-O 3.1Å; F157-V185 WeakPolarHBondContact O-CA 3.3Å; F157-V185 WeakPolarHBondContact O-CB 3.45Å; F157-V185 PolarHBondContact O-N 2.86Å; F157-H238 HydrophobicContact CZ-CB 4.05Å; F157-I242 HydrophobicContact CE2-CD1 4.21Å; F157-I242 HydrophobicContact CZ-CD1 4.25Å
158	A	97.4	Very high	94.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	166.4	168.4	0	0	0	0	0	110.1	L150 W151 L153 V183	L150-A158 CarbonylContact C-O 3.58Å; L150-A158 WeakPolarHBondContact CA-O 3.37Å; W151-A158 HydrophobicContact CD2-CB 4.14Å; W151-A158 VanDerWaalsContact CE2-CB 3.4Å; W151-A158 HydrophobicContact CH2-CB 4.17Å; W151-A158 HydrophobicContact CZ2-CB 3.43Å; W151-A158 VanDerWaalsContact CZ2-CB 3.43Å; W151-A158 PolarHBondContact N-O 3.46Å; W151-A158 PolarHBondContact O-N 2.78Å; L153-A158 HydrophobicContact CD1-CB 3.88Å; L153-A158 HydrophobicContact CG-CB 4.28Å; A158-V183 CarbonylContact C-O 3.53Å; A158-V183 WeakPolarHBondContact CA-O 3.36Å; A158-V183 VanDerWaalsContact CB-O 3.32Å; A158-V183 WeakPolarHBondContact CB-O 3.31Å
159	G	97.3	Very high	92.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	159.3	-179.1	0	0	0	0	0	112.7	Y149 V182 V183	Y149-G159 CarbonylContact O-C 3.47Å; Y149-G159 WeakPolarHBondContact O-CA 3.4Å; G159-V182 CarbonylContact O-C 3.51Å; G159-V182 WeakPolarHBondContact O-CA 3.49Å; G159-V183 PolarHBondContact N-O 2.98Å; G159-V183 PolarHBondContact O-N 2.84Å
160	V	97.9	Very high	91.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	133.3	169.8	68.5	0	0	0	0	109.7	Y93 V148 Y149 W151 L162 I180 H181 V182	Y93-V160 HydrophobicContact CD2-CB 3.95Å; Y93-V160 HydrophobicContact CD2-CG1 4.01Å; Y93-V160 HydrophobicContact CD2-CG2 3.93Å; Y93-V160 HydrophobicContact CE2-CG2 4.29Å; Y93-V160 HydrophobicContact CG-CB 4.33Å; Y93-V160 HydrophobicContact CG-CG1 4.16Å; V148-V160 VanDerWaalsContact CA-O 3.32Å; V148-V160 WeakPolarHBondContact CA-O 3.47Å; Y149-V160 HydrophobicContact CD2-CG1 3.82Å; Y149-V160 HydrophobicContact CG-CG1 4.41Å; Y149-V160 PolarHBondContact N-O 3.34Å; Y149-V160 PolarHBondContact O-N 3.46Å; W151-V160 HydrophobicContact CZ3-CB 4.22Å; W151-V160 HydrophobicContact CZ3-CG1 4.26Å; V160-L162 HydrophobicContact CG1-CG 4.43Å; V160-L162 HydrophobicContact CG2-CD2 3.49Å; V160-L162 VanDerWaalsContact CG2-CD2 3.49Å; V160-L162 HydrophobicContact CG2-CG 4.05Å; V160-I180 HydrophobicContact CG2-CG2 4.05Å; V160-H181 CarbonylContact C-O 3.17Å; V160-H181 VanDerWaalsContact CA-O 3.25Å; V160-H181 WeakPolarHBondContact CA-O 3.46Å; V160-V182 HydrophobicContact CG2-CG2 4.07Å
161	I	98.6	Very high	89.8	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.01	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	123.1	170.6	-53.2	86.2	0	0	0	107.2	F133 V148 H181 V183 I242 V246	F133-I161 HydrophobicContact CB-CG2 4.23Å; F133-I161 HydrophobicContact CD1-CG2 3.61Å; F133-I161 HydrophobicContact CD2-CG1 4.05Å; F133-I161 HydrophobicContact CD2-CG2 4.21Å; F133-I161 HydrophobicContact CE1-CG1 4.25Å; F133-I161 HydrophobicContact CE1-CG2 3.95Å; F133-I161 HydrophobicContact CE2-CD1 4.47Å; F133-I161 HydrophobicContact CE2-CG1 3.74Å; F133-I161 HydrophobicContact CG-CG1 4.43Å; F133-I161 HydrophobicContact CG-CG2 3.75Å; F133-I161 HydrophobicContact CZ-CD1 4.4Å; F133-I161 HydrophobicContact CZ-CG1 3.85Å; F133-I161 HydrophobicContact CZ-CG2 4.38Å; V148-I161 HydrophobicContact CG1-CG1 4.28Å; V148-I161 HydrophobicContact CG2-CB 4.42Å; V148-I161 HydrophobicContact CG2-CG1 4.15Å; V148-I161 HydrophobicContact CG2-CG2 4.1Å; I161-H181 HydrophobicContact CB-CB 4.07Å; I161-H181 HydrophobicContact CD1-CB 4.17Å; I161-H181 PolarHBondContact N-O 3.33Å; I161-H181 PolarHBondContact O-N 3.05Å; I161-V183 HydrophobicContact CD1-CG1 4.06Å; I161-I242 HydrophobicContact CD1-CG2 4.03Å; I161-V246 HydrophobicContact CD1-CG2 4.31Å
162	L	98.3	Very high	88.9	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	133.9	-177.1	-56.8	177.6	0	0	0	109.3	L76 L89 C91 S146 S147 Y149 V160 S179 I180	L76-L162 HydrophobicContact CD1-CB 4.13Å; L76-L162 HydrophobicContact CD1-CD2 4.3Å; L76-L162 HydrophobicContact CD2-CD1 4.28Å; L76-L162 HydrophobicContact CD2-CD2 3.86Å; L89-L162 HydrophobicContact CB-CB 4.02Å; L89-L162 HydrophobicContact CB-CD1 3.79Å; L89-L162 HydrophobicContact CD1-CB 3.57Å; L89-L162 HydrophobicContact CG-CB 4.44Å; C91-L162 HydrophobicContact CB-CD1 4.02Å; S146-L162 CarbonylContact C-O 3.56Å; S146-L162 WeakPolarHBondContact CA-O 3.44Å; S146-L162 WeakPolarHBondContact CB-O 3.46Å; S147-L162 PolarHBondContact N-O 3.01Å; S147-L162 WeakPolarHBondContact O-CB 3.1Å; S147-L162 PolarHBondContact O-N 2.99Å; Y149-L162 HydrophobicContact CD2-CD1 4.18Å; Y149-L162 HydrophobicContact CE2-CD1 3.78Å; V160-L162 HydrophobicContact CG1-CG 4.43Å; V160-L162 HydrophobicContact CG2-CD2 3.49Å; V160-L162 VanDerWaalsContact CG2-CD2 3.49Å; V160-L162 HydrophobicContact CG2-CG 4.05Å; L162-S179 WeakPolarHBondContact CA-O 3.14Å; L162-I180 HydrophobicContact CD2-CB 4.31Å; L162-I180 HydrophobicContact CD2-CG1 4.12Å; L162-I180 HydrophobicContact CD2-CG2 3.98Å
163	I	98.3	Very high	88.3	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	129.2	171.9	-56.2	175.4	0	0	0	108.4	Y136 R137 F141 V145 D178 S179	Y136-I163 HydrophobicContact CD1-CD1 3.79Å; Y136-I163 HydrophobicContact CE1-CD1 3.73Å; R137-I163 HydrophobicContact CG-CG2 4.06Å; F141-I163 HydrophobicContact CD1-CG2 4.36Å; F141-I163 HydrophobicContact CD2-CG2 4.05Å; F141-I163 HydrophobicContact CE1-CG2 4.24Å; F141-I163 HydrophobicContact CE2-CD1 3.89Å; F141-I163 HydrophobicContact CE2-CG2 3.92Å; F141-I163 HydrophobicContact CG-CG2 4.27Å; F141-I163 HydrophobicContact CZ-CD1 4.46Å; F141-I163 HydrophobicContact CZ-CG2 4.01Å; V145-I163 WeakPolarHBondContact O-CA 3.37Å; I163-D178 CarbonylContact O-C 3.5Å; I163-D178 WeakPolarHBondContact O-CA 3.27Å; I163-S179 PolarHBondContact N-O 3.39Å; I163-S179 PolarHBondContact O-N 3.4Å
164	K	97.6	Very high	88	Confident	30 Å²	30	62.5 Å²	62.5	13%	0.13	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	120	172.9	-176.7	175.1	-167.3	80.3	0	110	L76 I78 L89 G144 V145 C176 W177 D178	L76-K164 HydrophobicContact CB-CB 4.47Å; L76-K164 HydrophobicContact CB-CD 4.22Å; L76-K164 HydrophobicContact CD1-CB 4.48Å; L76-K164 WeakPolarHBondContact O-CD 3.39Å; L76-K164 WeakPolarHBondContact O-CE 3.46Å; L76-K164 PolarHBondContact O-NZ 2.88Å; I78-K164 HydrophobicContact CD1-CD 4Å; I78-K164 HydrophobicContact CG1-CD 3.89Å; L89-K164 HydrophobicContact CD1-CB 4.01Å; L89-K164 HydrophobicContact CD2-CB 3.61Å; L89-K164 HydrophobicContact CD2-CD 4.09Å; L89-K164 HydrophobicContact CD2-CG 4.49Å; L89-K164 HydrophobicContact CG-CB 4.49Å; G144-K164 CarbonylContact C-O 3.49Å; G144-K164 VanDerWaalsContact CA-O 3.28Å; G144-K164 WeakPolarHBondContact CA-O 3.21Å; V145-K164 PolarHBondContact N-O 3.26Å; V145-K164 PolarHBondContact O-N 3.28Å; K164-C176 PolarHBondContact NZ-SG 2.95Å; K164-C176 VanDerWaalsContact NZ-SG 3.37Å; K164-W177 CarbonylContact C-O 3.6Å; K164-W177 WeakPolarHBondContact CA-O 3.37Å; K164-D178 VanDerWaalsContact CG-OD1 3.29Å; K164-D178 WeakPolarHBondContact CG-OD1 3.19Å; K164-D178 IonicContact NZ-OD1 2.88Å; K164-D178 PolarHBondContact NZ-OD1 3.22Å; K164-D178 IonicContact NZ-OD2 3.9Å; K164-D178 PolarHBondContact NZ-OD2 2.97Å
165	K	96.1	Very high	88	Confident	59 Å²	59	55.8 Å²	55.8	26%	0.257	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	108.3	170.7	179.3	62	-176.3	-75	0	109.9	F141 W177	F141-K165 HydrophobicContact CB-CB 4.5Å; F141-K165 HydrophobicContact CB-CG 4.5Å; F141-K165 HydrophobicContact CD1-CB 3.77Å; F141-K165 HydrophobicContact CD1-CG 4.26Å; F141-K165 PolarHBondContact O-NZ 3.06Å; K165-W177 HydrophobicContact CB-CB 4.41Å; K165-W177 PolarHBondContact N-O 3.41Å; K165-W177 PolarHBondContact O-N 3.46Å
166	A	92	Very high	88.2	Confident	60 Å²	60	49.6 Å²	49.6	50%	0.496	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	139.9	163.4	0	0	0	0	0	109.5
167	G	85.3	Confident	88.2	Confident	39 Å²	39	50.7 Å²	50.7	40%	0.402	28%	0.279	S	S	.	.			trans	-63.4	156.8	170.6	0	0	0	0	0	111.3	G169 G175	G167-G169 PolarHBondContact O-N 2.93Å; G167-G175 PolarHBondContact N-O 2.52Å
168	D	74.7	Confident	88.2	Confident	151 Å²	151	50.6 Å²	50.6	81%	0.807	28%	0.28	S	S	*	.			trans	-60.8	0.7	-178.1	65	0.4	0	0	0	115.5	S170	D168-S170 PolarHBondContact O-N 2.98Å; D168-S170 PolarHBondContact OD1-N 2.94Å
169	G	60.9	Low	88.2	Confident	46 Å²	46	50.6 Å²	50.6	47%	0.474	28%	0.28	S	S	.	.			trans	71.5	29	171	0	0	0	0	0	113.3	G167 K171	G167-G169 PolarHBondContact O-N 2.93Å; G169-K171 PolarHBondContact O-N 2.79Å; G169-K171 VanDerWaalsContact O-N 3.09Å
170	S	69.7	Low	88.2	Confident	55 Å²	55	51 Å²	51	39%	0.385	28%	0.281	S	S	.	.			trans	-46.7	125.2	164.8	84.3	0	0	0	0	108.5	D168 K172 I173	D168-S170 PolarHBondContact O-N 2.98Å; D168-S170 PolarHBondContact OD1-N 2.94Å; S170-K172 PolarHBondContact O-N 3.48Å; S170-I173 CarbonylContact O-C 3.45Å; S170-I173 PolarHBondContact O-N 3.47Å; S170-I173 PolarHBondContact OG-N 3.1Å; S170-I173 PolarHBondContact OG-O 3.08Å
171	K	65	Low	88.2	Confident	207 Å²	207	51 Å²	51	90%	0.9	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-18.2	-167.6	-71.3	-175.4	179.1	-179.8	0	114.4	G169	G169-K171 PolarHBondContact O-N 2.79Å; G169-K171 VanDerWaalsContact O-N 3.09Å
172	K	76.8	Confident	88.1	Confident	141 Å²	141	51.5 Å²	51.5	61%	0.613	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	-20.9	-176.1	-60.9	-176.4	-178.4	178.2	0	114	S170 T208 N209	S170-K172 PolarHBondContact O-N 3.48Å; K172-T208 CarbonylContact O-C 3.6Å; K172-T208 WeakPolarHBondContact O-CA 3.23Å; K172-N209 PolarHBondContact O-N 3.42Å
173	I	82.3	Confident	88.1	Confident	73 Å²	73	51.6 Å²	51.6	37%	0.374	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	112.6	-178.2	-53.1	176.1	0	0	0	108.3	S170 Q207	S170-I173 CarbonylContact O-C 3.45Å; S170-I173 PolarHBondContact O-N 3.47Å; S170-I173 PolarHBondContact OG-N 3.1Å; S170-I173 PolarHBondContact OG-O 3.08Å; I173-Q207 CarbonylContact C-O 3.24Å; I173-Q207 WeakPolarHBondContact CA-O 3.43Å
174	K	88.8	Confident	88	Confident	114 Å²	114	53.2 Å²	53.2	50%	0.496	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	141	170.8	-58.8	-176.8	176.8	-177.3	0	108.4	W205 Q207	K174-W205 HydrophobicContact CB-CH2 3.71Å; K174-W205 HydrophobicContact CB-CZ3 3.53Å; K174-W205 HydrophobicContact CD-CH2 4.21Å; K174-Q207 HydrophobicContact CB-CB 4.41Å; K174-Q207 PolarHBondContact N-O 3.21Å; K174-Q207 PolarHBondContact O-N 2.63Å
175	G	90.1	Very high	88	Confident	19 Å²	19	51.8 Å²	51.8	20%	0.196	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	148.8	176.2	0	0	0	0	0	110.7	G167 W205	G167-G175 PolarHBondContact N-O 2.52Å; G175-W205 CarbonylContact C-O 3.54Å; G175-W205 WeakPolarHBondContact CA-O 3.25Å
176	C	92.9	Very high	88	Confident	22 Å²	22	53.3 Å²	53.3	15%	0.149	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	135	171.7	-167.9	0	0	0	0	108.7	K164 D178 W205	K164-C176 PolarHBondContact NZ-SG 2.95Å; K164-C176 VanDerWaalsContact NZ-SG 3.37Å; C176-D178 PolarHBondContact SG-OD2 2.89Å; C176-W205 HydrophobicContact CB-CE3 4.33Å; C176-W205 PolarHBondContact N-O 2.93Å; C176-W205 PolarHBondContact O-N 3.41Å
177	W	95.4	Very high	88	Confident	37 Å²	37	53.5 Å²	53.5	14%	0.14	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127.2	171.6	-178.4	-72.8	0	0	0	108.4	F141 K164 K165 S179 V202 L204 R254 L257	F141-W177 AromaticContact CE1-CD1 3.47Å; F141-W177 VanDerWaalsContact CE1-CD1 3.47Å; F141-W177 HydrophobicContact CE1-CD2 4.3Å; F141-W177 AromaticContact CE1-CG 3.92Å; F141-W177 HydrophobicContact CE1-CG 3.92Å; F141-W177 AromaticContact CE1-NE1 3.58Å; F141-W177 AromaticContact CZ-NE1 3.7Å; K164-W177 CarbonylContact C-O 3.6Å; K164-W177 WeakPolarHBondContact CA-O 3.37Å; K165-W177 HydrophobicContact CB-CB 4.41Å; K165-W177 PolarHBondContact N-O 3.41Å; K165-W177 PolarHBondContact O-N 3.46Å; W177-S179 PolarHBondContact NE1-OG 3.48Å; W177-V202 HydrophobicContact CD2-CG1 3.97Å; W177-V202 VanDerWaalsContact CE2-CG1 3.43Å; W177-V202 HydrophobicContact CE3-CG1 4.29Å; W177-V202 HydrophobicContact CH2-CG1 3.66Å; W177-V202 HydrophobicContact CZ2-CB 4.31Å; W177-V202 HydrophobicContact CZ2-CG1 3.3Å; W177-V202 HydrophobicContact CZ2-CG2 4.06Å; W177-V202 HydrophobicContact CZ3-CG1 4.14Å; W177-L204 HydrophobicContact CE3-CD1 4.02Å; W177-R254 HydrophobicContact CH2-CB 4.07Å; W177-R254 HydrophobicContact CH2-CG 4.16Å; W177-L257 HydrophobicContact CH2-CD1 3.83Å; W177-L257 HydrophobicContact CZ3-CD1 4Å
178	D	96.3	Very high	88.2	Confident	8 Å²	8	56 Å²	56	4%	0.043	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	119	174.7	-62.3	-79.8	0	0	0	108.4	L76 I163 K164 C176 V202 M203	L76-D178 WeakPolarHBondContact CB-OD1 3.48Å; L76-D178 HydrophobicContact CD1-CB 4.12Å; L76-D178 HydrophobicContact CG-CB 4.25Å; I163-D178 CarbonylContact O-C 3.5Å; I163-D178 WeakPolarHBondContact O-CA 3.27Å; K164-D178 VanDerWaalsContact CG-OD1 3.29Å; K164-D178 WeakPolarHBondContact CG-OD1 3.19Å; K164-D178 IonicContact NZ-OD1 2.88Å; K164-D178 PolarHBondContact NZ-OD1 3.22Å; K164-D178 IonicContact NZ-OD2 3.9Å; K164-D178 PolarHBondContact NZ-OD2 2.97Å; C176-D178 PolarHBondContact SG-OD2 2.89Å; D178-V202 CarbonylContact O-C 3.51Å; D178-V202 WeakPolarHBondContact O-CA 3.31Å; D178-M203 HydrophobicContact CB-CB 4.17Å; D178-M203 PolarHBondContact N-O 2.69Å; D178-M203 PolarHBondContact O-N 3.03Å
179	S	97.2	Very high	88.6	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	132.7	171.7	-64.1	0	0	0	0	110.1	L162 I163 W177 H181 E250	L162-S179 WeakPolarHBondContact CA-O 3.14Å; I163-S179 PolarHBondContact N-O 3.39Å; I163-S179 PolarHBondContact O-N 3.4Å; W177-S179 PolarHBondContact NE1-OG 3.48Å; S179-H181 WeakPolarHBondContact CB-NE2 3.2Å; S179-E250 VanDerWaalsContact CB-OE1 3.24Å; S179-E250 WeakPolarHBondContact CB-OE1 3.45Å; S179-E250 PolarHBondContact OG-OE1 2.8Å
180	I	97.5	Very high	89.5	Confident	7 Å²	7	56.8 Å²	56.8	4%	0.036	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	110.3	175.1	-53.9	174.9	0	0	0	107.4	D73 L76 V160 L162 V182 S200 T201 M203	D73-I180 HydrophobicContact CB-CD1 3.97Å; L76-I180 HydrophobicContact CD1-CG1 4.23Å; L76-I180 HydrophobicContact CD2-CD1 4.1Å; L76-I180 HydrophobicContact CD2-CG1 4.06Å; L76-I180 HydrophobicContact CG-CG1 4.33Å; V160-I180 HydrophobicContact CG2-CG2 4.05Å; L162-I180 HydrophobicContact CD2-CB 4.31Å; L162-I180 HydrophobicContact CD2-CG1 4.12Å; L162-I180 HydrophobicContact CD2-CG2 3.98Å; I180-V182 HydrophobicContact CG2-CG2 4.28Å; I180-S200 CarbonylContact O-C 3.56Å; I180-S200 WeakPolarHBondContact O-CA 3.24Å; I180-T201 PolarHBondContact N-O 2.81Å; I180-T201 PolarHBondContact O-N 3.14Å; I180-M203 HydrophobicContact CD1-CE 4.04Å
181	H	97.9	Very high	90	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	103.6	179.3	-61.3	-74.7	0	0	0	109.6	V160 I161 S179 L198 S200 V246 E250	V160-H181 CarbonylContact C-O 3.17Å; V160-H181 VanDerWaalsContact CA-O 3.25Å; V160-H181 WeakPolarHBondContact CA-O 3.46Å; I161-H181 HydrophobicContact CB-CB 4.07Å; I161-H181 HydrophobicContact CD1-CB 4.17Å; I161-H181 PolarHBondContact N-O 3.33Å; I161-H181 PolarHBondContact O-N 3.05Å; S179-H181 WeakPolarHBondContact CB-NE2 3.2Å; H181-L198 HydrophobicContact CB-CD1 3.92Å; H181-S200 VanDerWaalsContact ND1-CB 3.28Å; H181-S200 WeakPolarHBondContact ND1-CB 3.14Å; H181-S200 PolarHBondContact ND1-OG 2.97Å; H181-V246 HydrophobicContact CB-CG2 4.2Å; H181-E250 IonicContact CD2-OE1 3.83Å; H181-E250 WeakPolarHBondContact CE1-CG 3.38Å; H181-E250 IonicContact CE1-OE1 2.84Å; H181-E250 VanDerWaalsContact NE2-CG 3.32Å; H181-E250 WeakPolarHBondContact NE2-CG 3.5Å; H181-E250 IonicContact NE2-OE1 3.09Å; H181-E250 PolarHBondContact NE2-OE1 3.33Å
182	V	97.1	Very high	91.1	Very high	14 Å²	14	55.8 Å²	55.8	9%	0.085	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	118	174.2	-176.1	0	0	0	0	108.1	Y93 W151 G159 V160 I180 T199	Y93-V182 HydrophobicContact CE2-CG2 3.67Å; W151-V182 HydrophobicContact CH2-CG1 4.32Å; G159-V182 CarbonylContact O-C 3.51Å; G159-V182 WeakPolarHBondContact O-CA 3.49Å; V160-V182 HydrophobicContact CG2-CG2 4.07Å; I180-V182 HydrophobicContact CG2-CG2 4.28Å; V182-T199 PolarHBondContact N-O 3.1Å; V182-T199 PolarHBondContact O-N 3.39Å
183	V	97.6	Very high	91.8	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.006	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	130.6	178.1	64.8	0	0	0	0	110.4	A158 G159 I161 V185 K197 L198 I242	A158-V183 CarbonylContact C-O 3.53Å; A158-V183 WeakPolarHBondContact CA-O 3.36Å; A158-V183 VanDerWaalsContact CB-O 3.32Å; A158-V183 WeakPolarHBondContact CB-O 3.31Å; G159-V183 PolarHBondContact N-O 2.98Å; G159-V183 PolarHBondContact O-N 2.84Å; I161-V183 HydrophobicContact CD1-CG1 4.06Å; V183-V185 HydrophobicContact CG2-CG2 4.11Å; V183-K197 CarbonylContact C-O 3.57Å; V183-K197 WeakPolarHBondContact CA-O 3.26Å; V183-L198 HydrophobicContact CB-CD1 4.23Å; V183-I242 HydrophobicContact CG1-CD1 4.26Å; V183-I242 HydrophobicContact CG1-CG2 4.07Å; V183-I242 HydrophobicContact CG2-CG1 4.28Å
184	E	97.6	Very high	92.5	Very high	35 Å²	35	47.6 Å²	47.6	16%	0.164	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	130	168.9	-174.3	-172	156.9	0	0	108.5	L153 Q186 Y196 K197	L153-E184 HydrophobicContact CD1-CG 3.9Å; E184-Q186 PolarHBondContact OE1-NE2 3.01Å; E184-Y196 WeakPolarHBondContact O-CA 3.22Å; E184-K197 HydrophobicContact CB-CB 4.29Å; E184-K197 PolarHBondContact N-O 2.77Å; E184-K197 PolarHBondContact O-N 2.86Å
185	V	97.4	Very high	92.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	110.3	-179.7	-173.5	0	0	0	0	108.5	G156 F157 V183 A194 H195 Y196 I242	G156-V185 WeakPolarHBondContact CA-O 3.38Å; F157-V185 HydrophobicContact CD1-CB 4.18Å; F157-V185 HydrophobicContact CD1-CG1 4.43Å; F157-V185 HydrophobicContact CD2-CG2 4.39Å; F157-V185 HydrophobicContact CE1-CB 3.91Å; F157-V185 HydrophobicContact CE1-CG1 3.87Å; F157-V185 HydrophobicContact CE1-CG2 4.21Å; F157-V185 HydrophobicContact CE2-CB 4.3Å; F157-V185 HydrophobicContact CE2-CG2 3.84Å; F157-V185 HydrophobicContact CG-CB 4.48Å; F157-V185 HydrophobicContact CZ-CB 3.98Å; F157-V185 HydrophobicContact CZ-CG1 4.15Å; F157-V185 HydrophobicContact CZ-CG2 3.74Å; F157-V185 PolarHBondContact N-O 2.67Å; F157-V185 VanDerWaalsContact N-O 3.1Å; F157-V185 WeakPolarHBondContact O-CA 3.3Å; F157-V185 WeakPolarHBondContact O-CB 3.45Å; F157-V185 PolarHBondContact O-N 2.86Å; V183-V185 HydrophobicContact CG2-CG2 4.11Å; V185-A194 HydrophobicContact CG1-CB 3.9Å; V185-H195 WeakPolarHBondContact CA-O 3.48Å; V185-Y196 HydrophobicContact CG1-CD1 4.19Å; V185-Y196 HydrophobicContact CG1-CE1 3.85Å; V185-Y196 HydrophobicContact CG2-CD1 3.76Å; V185-Y196 HydrophobicContact CG2-CE1 3.92Å; V185-I242 HydrophobicContact CG2-CD1 4.13Å
186	Q	96	Very high	93.2	Very high	90 Å²	90	43.3 Å²	43.3	42%	0.421	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	109.6	172.8	-60.5	-176	3	0	0	109.5	H155 E184 A194 H195	H155-Q186 WeakPolarHBondContact O-CA 3.47Å; E184-Q186 PolarHBondContact OE1-NE2 3.01Å; Q186-A194 CarbonylContact O-C 3.6Å; Q186-A194 VanDerWaalsContact O-CA 3.29Å; Q186-A194 WeakPolarHBondContact O-CA 3.24Å; Q186-H195 HydrophobicContact CB-CB 4.27Å; Q186-H195 PolarHBondContact N-O 2.78Å; Q186-H195 PolarHBondContact O-N 2.89Å
187	E	92.1	Very high	93.5	Very high	65 Å²	65	44.2 Å²	44.2	30%	0.304	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	125	178.1	-66.2	-175.1	143.6	0	0	109.4	R121 H155 H238	R121-E187 IonicContact NH2-OE1 3.77Å; H155-E187 PolarHBondContact O-N 2.62Å; E187-H238 IonicContact OE1-CE1 3.44Å; E187-H238 IonicContact OE1-NE2 3.81Å; E187-H238 PolarHBondContact OE1-NE2 3.5Å
188	K	89.8	Confident	93.6	Very high	90 Å²	90	42.5 Å²	42.5	39%	0.391	23%	0.229	S	C	.	.			trans	-73.8	153.5	173.3	-59.3	-166.3	-171.5	174.1	0	109.4	S190 G191 T193 D229	K188-S190 PolarHBondContact O-N 2.82Å; K188-G191 PolarHBondContact O-N 3.3Å; K188-T193 WeakPolarHBondContact CB-O 3.45Å; K188-T193 WeakPolarHBondContact CD-OG1 3.32Å; K188-T193 PolarHBondContact N-O 2.91Å; K188-T193 VanDerWaalsContact N-O 3.13Å; K188-D229 IonicContact NZ-OD1 3.28Å; K188-D229 IonicContact NZ-OD2 2.77Å; K188-D229 PolarHBondContact NZ-OD2 3.02Å
189	S	82.8	Confident	93.6	Very high	140 Å²	140	43.8 Å²	43.8	98%	0.979	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-23	-175.7	52.2	0	0	0	0	115.4
190	S	80.3	Confident	93.5	Very high	75 Å²	75	43.8 Å²	43.8	52%	0.524	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-12.3	176.4	67.6	0	0	0	0	114.4	K188 R192	K188-S190 PolarHBondContact O-N 2.82Å; S190-R192 PolarHBondContact O-N 2.88Å
191	G	78.9	Confident	93.4	Very high	47 Å²	47	43.6 Å²	43.6	49%	0.485	24%	0.236	S	C	.	.	S	Bend	trans	66.4	-0.8	-177.3	0	0	0	0	0	115.5	K188	K188-G191 PolarHBondContact O-N 3.3Å
192	R	88.1	Confident	93.3	Very high	194 Å²	194	43.6 Å²	43.6	73%	0.732	24%	0.236	S	C	*	.	S	Bend	trans	-94.9	-10.5	-176.9	-67.5	-176.4	-179.8	-175.1	-0.6	113.7	S190 T231 V232	S190-R192 PolarHBondContact O-N 2.88Å; R192-T231 CarbonylContact O-C 3.58Å; R192-T231 WeakPolarHBondContact O-CA 3.25Å; R192-V232 PolarHBondContact O-N 3.44Å
193	T	92.8	Very high	93.1	Very high	42 Å²	42	43.8 Å²	43.8	26%	0.258	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	145.4	179.6	49.1	0	0	0	0	109	K188 E230 T231	K188-T193 WeakPolarHBondContact CB-O 3.45Å; K188-T193 WeakPolarHBondContact CD-OG1 3.32Å; K188-T193 PolarHBondContact N-O 2.91Å; K188-T193 VanDerWaalsContact N-O 3.13Å; T193-E230 WeakPolarHBondContact CA-O 3.42Å; T193-T231 HydrophobicContact CG2-CG2 4.11Å
194	A	96.1	Very high	92.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	146.7	174.2	0	0	0	0	0	109.6	V185 Q186 Y196 E230 V232	V185-A194 HydrophobicContact CG1-CB 3.9Å; Q186-A194 CarbonylContact O-C 3.6Å; Q186-A194 VanDerWaalsContact O-CA 3.29Å; Q186-A194 WeakPolarHBondContact O-CA 3.24Å; A194-Y196 HydrophobicContact CB-CD2 4.44Å; A194-Y196 HydrophobicContact CB-CE2 3.67Å; A194-Y196 WeakPolarHBondContact O-CD2 3.36Å; A194-Y196 VanDerWaalsContact O-CE2 3.27Å; A194-Y196 WeakPolarHBondContact O-CE2 3.48Å; A194-E230 PolarHBondContact N-O 2.97Å; A194-E230 PolarHBondContact O-N 3.31Å; A194-E230 VanDerWaalsContact O-N 3.08Å; A194-V232 HydrophobicContact CB-CG2 3.89Å
195	H	96.8	Very high	92.4	Very high	43 Å²	43	46.5 Å²	46.5	20%	0.199	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	125.3	171.7	-176.8	75.4	0	0	0	108.6	V185 Q186 E227 D229	V185-H195 WeakPolarHBondContact CA-O 3.48Å; Q186-H195 HydrophobicContact CB-CB 4.27Å; Q186-H195 PolarHBondContact N-O 2.78Å; Q186-H195 PolarHBondContact O-N 2.89Å; H195-E227 IonicContact CE1-OE2 3.54Å; H195-E227 IonicContact NE2-OE2 3.6Å; H195-D229 WeakPolarHBondContact CA-OD1 3.35Å; H195-D229 VanDerWaalsContact CB-OD1 3.27Å; H195-D229 WeakPolarHBondContact CB-OD1 3.23Å; H195-D229 IonicContact CE1-OD1 2.89Å; H195-D229 IonicContact CG-OD1 3.31Å; H195-D229 IonicContact ND1-OD1 3.19Å; H195-D229 PolarHBondContact ND1-OD1 3.47Å
196	Y	97.5	Very high	92.1	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	124.6	-179	-60.3	-99.1	0	0	0	108.8	E184 V185 A194 E227 K228 E230 H238 N241 I242 L245	E184-Y196 WeakPolarHBondContact O-CA 3.22Å; V185-Y196 HydrophobicContact CG1-CD1 4.19Å; V185-Y196 HydrophobicContact CG1-CE1 3.85Å; V185-Y196 HydrophobicContact CG2-CD1 3.76Å; V185-Y196 HydrophobicContact CG2-CE1 3.92Å; A194-Y196 HydrophobicContact CB-CD2 4.44Å; A194-Y196 HydrophobicContact CB-CE2 3.67Å; A194-Y196 WeakPolarHBondContact O-CD2 3.36Å; A194-Y196 VanDerWaalsContact O-CE2 3.27Å; A194-Y196 WeakPolarHBondContact O-CE2 3.48Å; Y196-E227 CarbonylContact O-C 3.54Å; Y196-E227 VanDerWaalsContact O-CA 3.25Å; Y196-E227 WeakPolarHBondContact O-CA 3.46Å; Y196-K228 WeakPolarHBondContact CD2-O 3.27Å; Y196-K228 PolarHBondContact N-O 3.22Å; Y196-K228 PolarHBondContact O-N 3.13Å; Y196-E230 HydrophobicContact CD2-CB 4.11Å; Y196-E230 HydrophobicContact CE2-CB 3.73Å; Y196-H238 AromaticContact CZ-ND1 3.79Å; Y196-H238 PolarHBondContact OH-ND1 2.86Å; Y196-N241 HydrophobicContact CE1-CB 4Å; Y196-N241 HydrophobicContact CE2-CB 4.28Å; Y196-N241 PolarHBondContact OH-ND2 3.41Å; Y196-I242 HydrophobicContact CD1-CG1 3.92Å; Y196-I242 HydrophobicContact CE1-CD1 4.47Å; Y196-I242 HydrophobicContact CE1-CG1 3.85Å; Y196-L245 VanDerWaalsContact CB-CD1 3.49Å; Y196-L245 HydrophobicContact CD1-CD1 4.2Å; Y196-L245 HydrophobicContact CG-CD1 3.87Å
197	K	97.9	Very high	91.8	Very high	40 Å²	40	46.7 Å²	46.7	17%	0.174	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	112	171.4	178.5	176	-173.8	-179.4	0	108.7	V183 E184 E227	V183-K197 CarbonylContact C-O 3.57Å; V183-K197 WeakPolarHBondContact CA-O 3.26Å; E184-K197 HydrophobicContact CB-CB 4.29Å; E184-K197 PolarHBondContact N-O 2.77Å; E184-K197 PolarHBondContact O-N 2.86Å; K197-E227 HydrophobicContact CB-CG 3.92Å; K197-E227 HydrophobicContact CD-CG 4.31Å; K197-E227 WeakPolarHBondContact CD-OE1 3.33Å; K197-E227 VanDerWaalsContact CE-OE1 3.28Å; K197-E227 WeakPolarHBondContact CE-OE1 3.31Å; K197-E227 HydrophobicContact CG-CG 3.74Å; K197-E227 IonicContact NZ-OE1 2.76Å
198	L	97.6	Very high	91.6	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	119.8	-178.6	173.4	65.3	0	0	0	109.7	H181 V183 S200 Q225 M226 L245 V246 M249	H181-L198 HydrophobicContact CB-CD1 3.92Å; V183-L198 HydrophobicContact CB-CD1 4.23Å; L198-S200 WeakPolarHBondContact CG-OG 3.41Å; L198-Q225 CarbonylContact O-C 3.6Å; L198-Q225 VanDerWaalsContact O-CA 3.3Å; L198-Q225 WeakPolarHBondContact O-CA 3.41Å; L198-M226 HydrophobicContact CB-CG 3.86Å; L198-M226 HydrophobicContact CD2-CG 4.17Å; L198-M226 HydrophobicContact CD2-SD 4.02Å; L198-M226 HydrophobicContact CG-CG 4.37Å; L198-M226 PolarHBondContact N-O 3.26Å; L198-M226 PolarHBondContact O-N 2.85Å; L198-L245 HydrophobicContact CD2-CB 3.93Å; L198-V246 HydrophobicContact CD1-CG2 4.24Å; L198-V246 HydrophobicContact CD2-CG2 4.22Å; L198-M249 HydrophobicContact CD2-CB 3.93Å; L198-M249 HydrophobicContact CD2-CG 4.33Å
199	T	96.3	Very high	91.5	Very high	35 Å²	35	44.9 Å²	44.9	22%	0.215	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	118.7	168	-56	0	0	0	0	108.2	V182 T223 Q225	V182-T199 PolarHBondContact N-O 3.1Å; V182-T199 PolarHBondContact O-N 3.39Å; T199-T223 HydrophobicContact CG2-CG2 4.05Å; T199-Q225 HydrophobicContact CG2-CG 3.84Å
200	S	96.3	Very high	91.7	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	121.2	-175.7	-59.9	0	0	0	0	110.5	I180 H181 L198 T223 R224 M249	I180-S200 CarbonylContact O-C 3.56Å; I180-S200 WeakPolarHBondContact O-CA 3.24Å; H181-S200 VanDerWaalsContact ND1-CB 3.28Å; H181-S200 WeakPolarHBondContact ND1-CB 3.14Å; H181-S200 PolarHBondContact ND1-OG 2.97Å; L198-S200 WeakPolarHBondContact CG-OG 3.41Å; S200-T223 CarbonylContact O-C 3.53Å; S200-T223 VanDerWaalsContact O-CA 3.27Å; S200-T223 WeakPolarHBondContact O-CA 3.37Å; S200-R224 PolarHBondContact N-O 3.45Å; S200-R224 PolarHBondContact O-N 2.81Å; S200-M249 WeakPolarHBondContact OG-CG 3.46Å
201	T	95.1	Very high	91.9	Very high	4 Å²	4	45.9 Å²	45.9	3%	0.025	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	128.3	169.7	-61.7	0	0	0	0	108.8	D73 I180 M203 L222 T223	D73-T201 HydrophobicContact CB-CG2 4.3Å; D73-T201 WeakPolarHBondContact OD2-CB 3.48Å; D73-T201 VanDerWaalsContact OD2-CG2 3.28Å; D73-T201 WeakPolarHBondContact OD2-CG2 3.31Å; D73-T201 PolarHBondContact OD2-OG1 2.81Å; I180-T201 PolarHBondContact N-O 2.81Å; I180-T201 PolarHBondContact O-N 3.14Å; T201-M203 HydrophobicContact CG2-CE 4.38Å; T201-M203 HydrophobicContact CG2-CG 4.36Å; T201-L222 WeakPolarHBondContact CA-O 3.28Å; T201-T223 WeakPolarHBondContact OG1-CG2 3.24Å; T201-T223 PolarHBondContact OG1-OG1 2.85Å
202	V	95.6	Very high	92.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	126.4	167.7	174.1	0	0	0	0	108.7	W177 D178 S221 L222 I253 L257	W177-V202 HydrophobicContact CD2-CG1 3.97Å; W177-V202 VanDerWaalsContact CE2-CG1 3.43Å; W177-V202 HydrophobicContact CE3-CG1 4.29Å; W177-V202 HydrophobicContact CH2-CG1 3.66Å; W177-V202 HydrophobicContact CZ2-CB 4.31Å; W177-V202 HydrophobicContact CZ2-CG1 3.3Å; W177-V202 HydrophobicContact CZ2-CG2 4.06Å; W177-V202 HydrophobicContact CZ3-CG1 4.14Å; D178-V202 CarbonylContact O-C 3.51Å; D178-V202 WeakPolarHBondContact O-CA 3.31Å; V202-S221 CarbonylContact O-C 3.46Å; V202-S221 WeakPolarHBondContact O-CA 3.13Å; V202-L222 PolarHBondContact N-O 2.78Å; V202-L222 PolarHBondContact O-N 3.27Å; V202-I253 HydrophobicContact CB-CG2 3.6Å; V202-I253 HydrophobicContact CG1-CG2 4.28Å; V202-I253 HydrophobicContact CG2-CB 4.33Å; V202-I253 HydrophobicContact CG2-CD1 4.14Å; V202-I253 HydrophobicContact CG2-CG2 3.51Å; V202-L257 HydrophobicContact CB-CD1 4.12Å; V202-L257 HydrophobicContact CG1-CD1 3.58Å
203	M	92.9	Very high	92.3	Very high	18 Å²	18	41.7 Å²	41.7	9%	0.089	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	130.8	169	-44.4	-174.8	-177	0	0	109.6	D73 P75 D178 I180 T201	D73-M203 HydrophobicContact CB-CE 3.18Å; D73-M203 VanDerWaalsContact O-CE 3.29Å; D73-M203 WeakPolarHBondContact O-CE 3.43Å; P75-M203 HydrophobicContact CG-SD 4.48Å; D178-M203 HydrophobicContact CB-CB 4.17Å; D178-M203 PolarHBondContact N-O 2.69Å; D178-M203 PolarHBondContact O-N 3.03Å; I180-M203 HydrophobicContact CD1-CE 4.04Å; T201-M203 HydrophobicContact CG2-CE 4.38Å; T201-M203 HydrophobicContact CG2-CG 4.36Å
204	L	92.4	Very high	92.2	Very high	19 Å²	19	41.2 Å²	41.2	10%	0.099	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	127.1	174.8	176.9	59.2	0	0	0	108.3	W177 L206 G219 G220 Y261	W177-L204 HydrophobicContact CE3-CD1 4.02Å; L204-L206 HydrophobicContact CD1-CD1 4.28Å; L204-L206 HydrophobicContact CD1-CD2 4.31Å; L204-L206 HydrophobicContact CD1-CG 3.98Å; L204-L206 HydrophobicContact CD2-CD1 4.03Å; L204-L206 HydrophobicContact CG-CD1 4.17Å; L204-L206 HydrophobicContact CG-CG 4.17Å; L204-G219 VanDerWaalsContact O-CA 3.29Å; L204-G219 WeakPolarHBondContact O-CA 3.48Å; L204-G220 PolarHBondContact N-O 3.32Å; L204-G220 PolarHBondContact O-N 3.25Å; L204-G220 VanDerWaalsContact O-N 3.17Å; L204-Y261 HydrophobicContact CB-CE1 4.45Å; L204-Y261 HydrophobicContact CD2-CD1 4.17Å; L204-Y261 HydrophobicContact CD2-CE1 4.19Å; L204-Y261 HydrophobicContact CD2-CG 4.43Å; L204-Y261 HydrophobicContact CG-CE1 4.27Å; L204-Y261 PolarHBondContact O-OH 2.97Å
205	W	88.8	Confident	91.8	Very high	73 Å²	73	45 Å²	45	28%	0.277	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	131.4	170.8	177.4	87.4	0	0	0	109.8	K174 G175 C176 Q207	K174-W205 HydrophobicContact CB-CH2 3.71Å; K174-W205 HydrophobicContact CB-CZ3 3.53Å; K174-W205 HydrophobicContact CD-CH2 4.21Å; G175-W205 CarbonylContact C-O 3.54Å; G175-W205 WeakPolarHBondContact CA-O 3.25Å; C176-W205 HydrophobicContact CB-CE3 4.33Å; C176-W205 PolarHBondContact N-O 2.93Å; C176-W205 PolarHBondContact O-N 3.41Å; W205-Q207 HydrophobicContact CH2-CB 3.48Å; W205-Q207 VanDerWaalsContact CH2-CB 3.48Å; W205-Q207 HydrophobicContact CH2-CG 4.35Å; W205-Q207 HydrophobicContact CZ2-CB 3.35Å; W205-Q207 HydrophobicContact CZ2-CG 4.22Å; W205-Q207 HydrophobicContact CZ3-CB 4.21Å
206	L	89.8	Confident	91.4	Very high	43 Å²	43	46.8 Å²	46.8	23%	0.225	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	124.6	-179.4	-68	167.2	0	0	0	108.6	L204 N217 L218 F262	L204-L206 HydrophobicContact CD1-CD1 4.28Å; L204-L206 HydrophobicContact CD1-CD2 4.31Å; L204-L206 HydrophobicContact CD1-CG 3.98Å; L204-L206 HydrophobicContact CD2-CD1 4.03Å; L204-L206 HydrophobicContact CG-CD1 4.17Å; L204-L206 HydrophobicContact CG-CG 4.17Å; L206-N217 WeakPolarHBondContact O-CA 3.25Å; L206-L218 HydrophobicContact CB-CB 4.29Å; L206-L218 PolarHBondContact N-O 3.13Å; L206-L218 PolarHBondContact O-N 3.38Å; L206-L218 VanDerWaalsContact O-O 3.1Å; L206-F262 HydrophobicContact CD1-CE1 4.21Å; L206-F262 HydrophobicContact CD1-CZ 3.63Å
207	Q	89.4	Confident	91.1	Very high	52 Å²	52	50.6 Å²	50.6	24%	0.243	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	123	173.5	170.7	171.3	35.8	0	0	109	I173 K174 W205 M216 N217	I173-Q207 CarbonylContact C-O 3.24Å; I173-Q207 WeakPolarHBondContact CA-O 3.43Å; K174-Q207 HydrophobicContact CB-CB 4.41Å; K174-Q207 PolarHBondContact N-O 3.21Å; K174-Q207 PolarHBondContact O-N 2.63Å; W205-Q207 HydrophobicContact CH2-CB 3.48Å; W205-Q207 VanDerWaalsContact CH2-CB 3.48Å; W205-Q207 HydrophobicContact CH2-CG 4.35Å; W205-Q207 HydrophobicContact CZ2-CB 3.35Å; W205-Q207 HydrophobicContact CZ2-CG 4.22Å; W205-Q207 HydrophobicContact CZ3-CB 4.21Å; Q207-M216 WeakPolarHBondContact CA-O 3.33Å; Q207-N217 WeakPolarHBondContact CB-OD1 3.36Å; Q207-N217 WeakPolarHBondContact CG-OD1 3.24Å; Q207-N217 PolarHBondContact NE2-OD1 2.91Å
208	T	88.5	Confident	90.6	Very high	25 Å²	25	50.1 Å²	50.1	15%	0.153	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	137	171.8	177.6	0	0	0	0	110	K172 T215 M216	K172-T208 CarbonylContact O-C 3.6Å; K172-T208 WeakPolarHBondContact O-CA 3.23Å; T208-T215 WeakPolarHBondContact O-CA 3.32Å; T208-M216 HydrophobicContact CG2-CB 3.71Å; T208-M216 HydrophobicContact CG2-CG 4.43Å; T208-M216 HydrophobicContact CG2-SD 4.41Å; T208-M216 PolarHBondContact N-O 3.33Å; T208-M216 PolarHBondContact O-N 2.87Å
209	N	87.3	Confident	90.1	Very high	92 Å²	92	51.2 Å²	51.2	49%	0.492	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	103.1	171.7	-170.7	-6.9	0	0	0	108.9	K172	K172-N209 PolarHBondContact O-N 3.42Å
210	K	88.3	Confident	89.7	Confident	100 Å²	100	50.5 Å²	50.5	44%	0.435	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	146.5	179.7	-64.8	178.2	-176.7	178.5	0	109	G212 S213 G214	K210-G212 PolarHBondContact O-N 2.75Å; K210-S213 PolarHBondContact O-N 3.03Å; K210-G214 PolarHBondContact N-O 2.94Å; K210-G214 WeakPolarHBondContact O-CA 3.12Å; K210-G214 PolarHBondContact O-N 3.03Å
211	S	84.8	Confident	89.4	Confident	136 Å²	136	54 Å²	54	95%	0.951	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-35.9	-179.4	48.1	0	0	0	0	113.6
212	G	88.1	Confident	89.2	Confident	80 Å²	80	55.4 Å²	55.4	83%	0.825	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-33.8	-179	0	0	0	0	0	115.3	K210	K210-G212 PolarHBondContact O-N 2.75Å
213	S	86.2	Confident	89.1	Confident	72 Å²	72	58.8 Å²	58.8	50%	0.503	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102	-6.9	-177	61.8	0	0	0	0	113.6	K210	K210-S213 PolarHBondContact O-N 3.03Å
214	G	90.6	Very high	89.1	Confident	33 Å²	33	62.7 Å²	62.7	34%	0.34	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	64.6	-152.8	-165.9	0	0	0	0	0	112.1	K210	K210-G214 PolarHBondContact N-O 2.94Å; K210-G214 WeakPolarHBondContact O-CA 3.12Å; K210-G214 PolarHBondContact O-N 3.03Å
215	T	88.6	Confident	89.2	Confident	80 Å²	80	66 Å²	66	49%	0.491	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	121.5	172.9	-60	0	0	0	0	109.5	T208	T208-T215 WeakPolarHBondContact O-CA 3.32Å
216	M	88.8	Confident	89.4	Confident	80 Å²	80	64.3 Å²	64.3	39%	0.394	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	126.5	174.9	-179	-172.9	-171.7	0	0	108.6	Q207 T208 L218	Q207-M216 WeakPolarHBondContact CA-O 3.33Å; T208-M216 HydrophobicContact CG2-CB 3.71Å; T208-M216 HydrophobicContact CG2-CG 4.43Å; T208-M216 HydrophobicContact CG2-SD 4.41Å; T208-M216 PolarHBondContact N-O 3.33Å; T208-M216 PolarHBondContact O-N 2.87Å; M216-L218 HydrophobicContact CE-CD1 3.64Å; M216-L218 HydrophobicContact CE-CD2 3.91Å; M216-L218 HydrophobicContact CE-CG 3.79Å; M216-L218 HydrophobicContact SD-CD1 4.44Å
217	N	89.3	Confident	89.8	Confident	80 Å²	80	67.5 Å²	67.5	43%	0.428	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	119.9	176.2	-66.4	-34.6	0	0	0	108.4	L206 Q207	L206-N217 WeakPolarHBondContact O-CA 3.25Å; Q207-N217 WeakPolarHBondContact CB-OD1 3.36Å; Q207-N217 WeakPolarHBondContact CG-OD1 3.24Å; Q207-N217 PolarHBondContact NE2-OD1 2.91Å
218	L	87.5	Confident	90.1	Very high	29 Å²	29	68.9 Å²	68.9	15%	0.152	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	122.8	170.7	-71.1	166.9	0	0	0	106.9	L206 M216 Y261 F262 T265	L206-L218 HydrophobicContact CB-CB 4.29Å; L206-L218 PolarHBondContact N-O 3.13Å; L206-L218 PolarHBondContact O-N 3.38Å; L206-L218 VanDerWaalsContact O-O 3.1Å; M216-L218 HydrophobicContact CE-CD1 3.64Å; M216-L218 HydrophobicContact CE-CD2 3.91Å; M216-L218 HydrophobicContact CE-CG 3.79Å; M216-L218 HydrophobicContact SD-CD1 4.44Å; L218-Y261 HydrophobicContact CB-CD1 3.9Å; L218-Y261 HydrophobicContact CB-CE1 4.07Å; L218-F262 HydrophobicContact CD1-CE1 4.45Å; L218-T265 HydrophobicContact CD2-CG2 4.23Å
219	G	88.5	Confident	90.4	Very high	25 Å²	25	71.9 Å²	71.9	26%	0.258	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	155.1	179	0	0	0	0	0	111.3	P47 L204 Y261	P47-G219 WeakPolarHBondContact CG-O 3.41Å; L204-G219 VanDerWaalsContact O-CA 3.29Å; L204-G219 WeakPolarHBondContact O-CA 3.48Å; G219-Y261 VanDerWaalsContact C-OH 3.23Å
220	G	87.4	Confident	90.8	Very high	19 Å²	19	68.8 Å²	68.8	20%	0.196	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	157.8	-179.7	-178.1	0	0	0	0	0	111.5	L204 Y261	L204-G220 PolarHBondContact N-O 3.32Å; L204-G220 PolarHBondContact O-N 3.25Å; L204-G220 VanDerWaalsContact O-N 3.17Å; G220-Y261 WeakPolarHBondContact CA-OH 3.45Å; G220-Y261 PolarHBondContact N-OH 3.31Å; G220-Y261 PolarHBondContact O-OH 2.87Å; G220-Y261 VanDerWaalsContact O-OH 3.06Å
221	S	89.9	Confident	91.1	Very high	73 Å²	73	68.1 Å²	68.1	51%	0.51	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	156.4	-179.1	57.8	0	0	0	0	110.9	V202	V202-S221 CarbonylContact O-C 3.46Å; V202-S221 WeakPolarHBondContact O-CA 3.13Å
222	L	91.5	Very high	91.6	Very high	35 Å²	35	62.9 Å²	62.9	18%	0.183	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	122.9	169.9	-179.9	63	0	0	0	108.7	T201 V202 I253 T256 L257	T201-L222 WeakPolarHBondContact CA-O 3.28Å; V202-L222 PolarHBondContact N-O 2.78Å; V202-L222 PolarHBondContact O-N 3.27Å; L222-I253 HydrophobicContact CB-CG2 4.49Å; L222-I253 HydrophobicContact CD2-CG2 4.2Å; L222-T256 HydrophobicContact CD2-CG2 3.53Å; L222-L257 HydrophobicContact CB-CD2 3.89Å; L222-L257 HydrophobicContact CB-CG 4.39Å; L222-L257 HydrophobicContact CD2-CG 4.39Å
223	T	92.2	Very high	91.7	Very high	70 Å²	70	61.8 Å²	61.8	43%	0.429	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	135.1	176.1	-53.1	0	0	0	0	110	T199 S200 T201	T199-T223 HydrophobicContact CG2-CG2 4.05Å; S200-T223 CarbonylContact O-C 3.53Å; S200-T223 VanDerWaalsContact O-CA 3.27Å; S200-T223 WeakPolarHBondContact O-CA 3.37Å; T201-T223 WeakPolarHBondContact OG1-CG2 3.24Å; T201-T223 PolarHBondContact OG1-OG1 2.85Å
224	R	93.6	Very high	91.7	Very high	100 Å²	100	66.4 Å²	66.4	38%	0.377	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	150.3	173.6	-75.5	-166.7	165.4	-175.1	0.6	110.8	S200 M249 I253 T256	S200-R224 PolarHBondContact N-O 3.45Å; S200-R224 PolarHBondContact O-N 2.81Å; R224-M249 HydrophobicContact CB-CE 4.04Å; R224-M249 HydrophobicContact CB-SD 3.57Å; R224-M249 VanDerWaalsContact CB-SD 3.57Å; R224-M249 HydrophobicContact CG-SD 4.45Å; R224-I253 HydrophobicContact CB-CD1 4.3Å; R224-I253 HydrophobicContact CB-CG1 4.4Å; R224-I253 HydrophobicContact CG-CG1 4.32Å; R224-T256 PolarHBondContact NH2-OG1 3Å
225	Q	94.2	Very high	91.5	Very high	88 Å²	88	70.9 Å²	70.9	41%	0.411	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	147	175.2	-69.3	-179.5	-5.2	0	0	110.3	L198 T199	L198-Q225 CarbonylContact O-C 3.6Å; L198-Q225 VanDerWaalsContact O-CA 3.3Å; L198-Q225 WeakPolarHBondContact O-CA 3.41Å; T199-Q225 HydrophobicContact CG2-CG 3.84Å
226	M	94.1	Very high	91.5	Very high	38 Å²	38	68.1 Å²	68.1	19%	0.187	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	147.2	167.4	68.5	-179.7	-52.3	0	0	110.8	L198 L245 M249	L198-M226 HydrophobicContact CB-CG 3.86Å; L198-M226 HydrophobicContact CD2-CG 4.17Å; L198-M226 HydrophobicContact CD2-SD 4.02Å; L198-M226 HydrophobicContact CG-CG 4.37Å; L198-M226 PolarHBondContact N-O 3.26Å; L198-M226 PolarHBondContact O-N 2.85Å; M226-L245 HydrophobicContact CE-CD2 3.57Å; M226-L245 HydrophobicContact SD-CB 4.35Å; M226-L245 HydrophobicContact SD-CD2 3.98Å; M226-M249 HydrophobicContact CB-CE 3.57Å; M226-M249 HydrophobicContact CG-CE 3.51Å; M226-M249 HydrophobicContact SD-CB 4.17Å; M226-M249 HydrophobicContact SD-CE 3.6Å
227	E	96.5	Very high	91.8	Very high	111 Å²	111	67.1 Å²	67.1	52%	0.519	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	141	175.5	-70.9	177.4	-169.4	0	0	109.5	H195 Y196 K197	H195-E227 IonicContact CE1-OE2 3.54Å; H195-E227 IonicContact NE2-OE2 3.6Å; Y196-E227 CarbonylContact O-C 3.54Å; Y196-E227 VanDerWaalsContact O-CA 3.25Å; Y196-E227 WeakPolarHBondContact O-CA 3.46Å; K197-E227 HydrophobicContact CB-CG 3.92Å; K197-E227 HydrophobicContact CD-CG 4.31Å; K197-E227 WeakPolarHBondContact CD-OE1 3.33Å; K197-E227 VanDerWaalsContact CE-OE1 3.28Å; K197-E227 WeakPolarHBondContact CE-OE1 3.31Å; K197-E227 HydrophobicContact CG-CG 3.74Å; K197-E227 IonicContact NZ-OE1 2.76Å
228	K	95.5	Very high	92.1	Very high	81 Å²	81	64.4 Å²	64.4	35%	0.352	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	135.8	179.8	-157.8	178.8	-171.6	-167.5	0	111.8	Y196 E230 L245	Y196-K228 WeakPolarHBondContact CD2-O 3.27Å; Y196-K228 PolarHBondContact N-O 3.22Å; Y196-K228 PolarHBondContact O-N 3.13Å; K228-E230 HydrophobicContact CD-CG 4.08Å; K228-E230 WeakPolarHBondContact CD-OE1 3.33Å; K228-E230 WeakPolarHBondContact CE-OE1 3.34Å; K228-E230 HydrophobicContact CG-CG 4.29Å; K228-E230 IonicContact NZ-OE1 2.68Å; K228-E230 PolarHBondContact NZ-OE1 2.84Å; K228-L245 HydrophobicContact CB-CD2 3.98Å; K228-L245 HydrophobicContact CD-CD2 3.78Å
229	D	95.7	Very high	92.6	Very high	87 Å²	87	64.1 Å²	64.1	47%	0.465	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	126.1	165.6	-82.2	-2.3	0	0	0	109.4	K188 H195	K188-D229 IonicContact NZ-OD1 3.28Å; K188-D229 IonicContact NZ-OD2 2.77Å; K188-D229 PolarHBondContact NZ-OD2 3.02Å; H195-D229 WeakPolarHBondContact CA-OD1 3.35Å; H195-D229 VanDerWaalsContact CB-OD1 3.27Å; H195-D229 WeakPolarHBondContact CB-OD1 3.23Å; H195-D229 IonicContact CE1-OD1 2.89Å; H195-D229 IonicContact CG-OD1 3.31Å; H195-D229 IonicContact ND1-OD1 3.19Å; H195-D229 PolarHBondContact ND1-OD1 3.47Å
230	E	95.3	Very high	92.9	Very high	27 Å²	27	64.9 Å²	64.9	13%	0.126	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	150.8	175.7	-73	-85.2	168.5	0	0	110.4	T193 A194 Y196 K228 N241 R244	T193-E230 WeakPolarHBondContact CA-O 3.42Å; A194-E230 PolarHBondContact N-O 2.97Å; A194-E230 PolarHBondContact O-N 3.31Å; A194-E230 VanDerWaalsContact O-N 3.08Å; Y196-E230 HydrophobicContact CD2-CB 4.11Å; Y196-E230 HydrophobicContact CE2-CB 3.73Å; K228-E230 HydrophobicContact CD-CG 4.08Å; K228-E230 WeakPolarHBondContact CD-OE1 3.33Å; K228-E230 WeakPolarHBondContact CE-OE1 3.34Å; K228-E230 HydrophobicContact CG-CG 4.29Å; K228-E230 IonicContact NZ-OE1 2.68Å; K228-E230 PolarHBondContact NZ-OE1 2.84Å; E230-N241 HydrophobicContact CB-CB 4.49Å; E230-R244 IonicContact OE1-NH1 2.91Å; E230-R244 PolarHBondContact OE1-NH1 2.82Å; E230-R244 IonicContact OE2-CZ 3.06Å; E230-R244 IonicContact OE2-NH1 2.69Å; E230-R244 PolarHBondContact OE2-NH1 2.84Å; E230-R244 IonicContact OE2-NH2 3.03Å; E230-R244 PolarHBondContact OE2-NH2 2.81Å
231	T	94.7	Very high	93.4	Very high	86 Å²	86	64 Å²	64	53%	0.528	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	146.2	172.7	53.5	0	0	0	0	110.2	R192 T193 N241	R192-T231 CarbonylContact O-C 3.58Å; R192-T231 WeakPolarHBondContact O-CA 3.25Å; T193-T231 HydrophobicContact CG2-CG2 4.11Å; T231-N241 PolarHBondContact O-ND2 2.84Å
232	V	94.6	Very high	93.8	Very high	27 Å²	27	61 Å²	61	16%	0.164	34%	0.336	C	S	.	.			trans	-114.8	121.3	178	-175.9	0	0	0	0	107.4	R192 A194	R192-V232 PolarHBondContact O-N 3.44Å; A194-V232 HydrophobicContact CB-CG2 3.89Å
233	S	91.9	Very high	94	Very high	57 Å²	57	60.2 Å²	60.2	40%	0.399	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-151.6	169.5	-180	63.3	0	0	0	0	110.1	C235 S236	S233-C235 PolarHBondContact O-N 3.17Å; S233-S236 PolarHBondContact N-O 3.2Å; S233-S236 CarbonylContact O-C 2.98Å; S233-S236 PolarHBondContact O-N 3.34Å; S233-S236 VanDerWaalsContact O-O 3.1Å; S233-S236 PolarHBondContact OG-N 3.45Å
234	D	86.1	Confident	94.3	Very high	169 Å²	169	61.3 Å²	61.3	90%	0.904	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-31.9	177.4	-60.7	-24.9	0	0	0	112.4
235	C	85.8	Confident	94.4	Very high	127 Å²	127	56.8 Å²	56.8	86%	0.858	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-17.7	175.7	-59.4	0	0	0	0	113.4	S233	S233-C235 PolarHBondContact O-N 3.17Å
236	S	89.5	Confident	94.6	Very high	22 Å²	22	52.6 Å²	52.6	15%	0.154	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-139.3	72.1	-179.2	-159.8	0	0	0	0	109.6	S233 N241 R244	S233-S236 PolarHBondContact N-O 3.2Å; S233-S236 CarbonylContact O-C 2.98Å; S233-S236 PolarHBondContact O-N 3.34Å; S233-S236 VanDerWaalsContact O-O 3.1Å; S233-S236 PolarHBondContact OG-N 3.45Å; S236-N241 PolarHBondContact OG-OD1 2.83Å; S236-R244 PolarHBondContact OG-NH2 2.76Å
237	P	94.8	Very high	94.7	Very high	59 Å²	59	54 Å²	54	38%	0.383	30%	0.302	S	S	.	.			trans	-70.1	165.8	-179.8	29.8	-36.1	0	0	0	111	I239 A240 N241	P237-I239 VanDerWaalsContact C-N 3.26Å; P237-I239 PolarHBondContact O-N 3.5Å; P237-A240 HydrophobicContact CG-CB 4Å; P237-A240 WeakPolarHBondContact O-CB 3.32Å; P237-A240 PolarHBondContact O-N 3.4Å; P237-N241 PolarHBondContact O-N 2.88Å; P237-N241 VanDerWaalsContact O-N 3.09Å
238	H	95.7	Very high	94.7	Very high	22 Å²	22	52.3 Å²	52.3	10%	0.102	30%	0.297	C	S	.	.	H	α-helix	trans	-51.5	-43.3	179.8	-69.8	-71	0	0	0	113.2	F157 E187 Y196 A240 N241 I242	F157-H238 HydrophobicContact CZ-CB 4.05Å; E187-H238 IonicContact OE1-CE1 3.44Å; E187-H238 IonicContact OE1-NE2 3.81Å; E187-H238 PolarHBondContact OE1-NE2 3.5Å; Y196-H238 AromaticContact CZ-ND1 3.79Å; Y196-H238 PolarHBondContact OH-ND1 2.86Å; H238-A240 VanDerWaalsContact C-N 3.3Å; H238-A240 PolarHBondContact O-N 3.06Å; H238-N241 PolarHBondContact O-N 3.48Å; H238-I242 WeakPolarHBondContact O-CB 3.43Å; H238-I242 WeakPolarHBondContact O-CG1 3.37Å; H238-I242 PolarHBondContact O-N 2.84Å
239	I	96.6	Very high	94.8	Very high	24 Å²	24	48.8 Å²	48.8	12%	0.123	28%	0.282	C	S	.	.	H	α-helix	trans	-60.8	-40.4	179.8	-63.2	167.9	0	0	0	111	L125 E128 A129 A132 P237 I242 G243	L125-I239 HydrophobicContact CD1-CD1 3.61Å; L125-I239 HydrophobicContact CD1-CG1 3.84Å; L125-I239 HydrophobicContact CG-CD1 4.17Å; L125-I239 HydrophobicContact CG-CG1 4.27Å; E128-I239 HydrophobicContact CB-CD1 3.55Å; A129-I239 HydrophobicContact CB-CD1 4.07Å; A129-I239 HydrophobicContact CB-CG1 4.13Å; A132-I239 HydrophobicContact CB-CG2 3.81Å; P237-I239 VanDerWaalsContact C-N 3.26Å; P237-I239 PolarHBondContact O-N 3.5Å; I239-I242 PolarHBondContact O-N 2.89Å; I239-G243 PolarHBondContact O-N 2.9Å
240	A	96.5	Very high	94.7	Very high	40 Å²	40	45.1 Å²	45.1	33%	0.331	26%	0.262	S	S	.	.	H	α-helix	trans	-67.9	-39.7	177.8	0	0	0	0	0	111.6	P237 H238 G243 R244	P237-A240 HydrophobicContact CG-CB 4Å; P237-A240 WeakPolarHBondContact O-CB 3.32Å; P237-A240 PolarHBondContact O-N 3.4Å; H238-A240 VanDerWaalsContact C-N 3.3Å; H238-A240 PolarHBondContact O-N 3.06Å; A240-G243 PolarHBondContact O-N 3.08Å; A240-R244 WeakPolarHBondContact O-CG 3.18Å; A240-R244 PolarHBondContact O-N 2.65Å
241	N	96.8	Very high	94.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-63.6	-47	175.8	-65.8	-10.6	0	0	0	111.2	Y196 E230 T231 S236 P237 H238 R244 L245	Y196-N241 HydrophobicContact CE1-CB 4Å; Y196-N241 HydrophobicContact CE2-CB 4.28Å; Y196-N241 PolarHBondContact OH-ND2 3.41Å; E230-N241 HydrophobicContact CB-CB 4.49Å; T231-N241 PolarHBondContact O-ND2 2.84Å; S236-N241 PolarHBondContact OG-OD1 2.83Å; P237-N241 PolarHBondContact O-N 2.88Å; P237-N241 VanDerWaalsContact O-N 3.09Å; H238-N241 PolarHBondContact O-N 3.48Å; N241-R244 PolarHBondContact O-N 3.09Å; N241-R244 PolarHBondContact OD1-NH2 3.12Å; N241-L245 WeakPolarHBondContact O-CG 3.34Å; N241-L245 PolarHBondContact O-N 3.23Å
242	I	97.6	Very high	94.8	Very high	10 Å²	10	47 Å²	47	5%	0.051	26%	0.264	C	S	.	.	H	α-helix	trans	-63.3	-44.3	177	-63.8	164.6	0	0	0	110.3	F133 F157 I161 V183 V185 Y196 H238 I239 R244 L245 V246	F133-I242 HydrophobicContact CE2-CG2 4.44Å; F133-I242 HydrophobicContact CZ-CG2 4.14Å; F157-I242 HydrophobicContact CE2-CD1 4.21Å; F157-I242 HydrophobicContact CZ-CD1 4.25Å; I161-I242 HydrophobicContact CD1-CG2 4.03Å; V183-I242 HydrophobicContact CG1-CD1 4.26Å; V183-I242 HydrophobicContact CG1-CG2 4.07Å; V183-I242 HydrophobicContact CG2-CG1 4.28Å; V185-I242 HydrophobicContact CG2-CD1 4.13Å; Y196-I242 HydrophobicContact CD1-CG1 3.92Å; Y196-I242 HydrophobicContact CE1-CD1 4.47Å; Y196-I242 HydrophobicContact CE1-CG1 3.85Å; H238-I242 WeakPolarHBondContact O-CB 3.43Å; H238-I242 WeakPolarHBondContact O-CG1 3.37Å; H238-I242 PolarHBondContact O-N 2.84Å; I239-I242 PolarHBondContact O-N 2.89Å; I242-R244 PolarHBondContact O-N 3.01Å; I242-L245 PolarHBondContact O-N 2.84Å; I242-L245 VanDerWaalsContact O-N 3.15Å; I242-V246 HydrophobicContact CG2-CG2 4.13Å; I242-V246 WeakPolarHBondContact O-CG2 3.28Å; I242-V246 PolarHBondContact O-N 2.81Å
243	G	97.2	Very high	94.8	Very high	19 Å²	19	45.7 Å²	45.7	20%	0.196	26%	0.257	C	S	.	.	H	α-helix	trans	-56.6	-47.3	178.1	0	0	0	0	0	112.6	I239 A240 L245 V246 E247	I239-G243 PolarHBondContact O-N 2.9Å; A240-G243 PolarHBondContact O-N 3.08Å; G243-L245 VanDerWaalsContact C-N 3.34Å; G243-L245 PolarHBondContact O-N 2.81Å; G243-V246 PolarHBondContact O-N 3.21Å; G243-E247 VanDerWaalsContact O-CB 3.32Å; G243-E247 WeakPolarHBondContact O-CB 3.38Å; G243-E247 PolarHBondContact O-N 3.03Å
244	R	96.8	Very high	94.9	Very high	93 Å²	93	49.3 Å²	49.3	35%	0.351	26%	0.262	S	S	.	.	H	α-helix	trans	-59.6	-42.9	175.3	-72.3	-174.7	-72.1	131.3	-9.2	112.2	E230 S236 A240 N241 I242 D248	E230-R244 IonicContact OE1-NH1 2.91Å; E230-R244 PolarHBondContact OE1-NH1 2.82Å; E230-R244 IonicContact OE2-CZ 3.06Å; E230-R244 IonicContact OE2-NH1 2.69Å; E230-R244 PolarHBondContact OE2-NH1 2.84Å; E230-R244 IonicContact OE2-NH2 3.03Å; E230-R244 PolarHBondContact OE2-NH2 2.81Å; S236-R244 PolarHBondContact OG-NH2 2.76Å; A240-R244 WeakPolarHBondContact O-CG 3.18Å; A240-R244 PolarHBondContact O-N 2.65Å; N241-R244 PolarHBondContact O-N 3.09Å; N241-R244 PolarHBondContact OD1-NH2 3.12Å; I242-R244 PolarHBondContact O-N 3.01Å; R244-D248 WeakPolarHBondContact O-CB 3.34Å; R244-D248 PolarHBondContact O-N 2.91Å; R244-D248 VanDerWaalsContact O-N 3.07Å
245	L	96.7	Very high	95.2	Very high	6 Å²	6	43.7 Å²	43.7	3%	0.031	24%	0.235	C	C	.	.	H	α-helix	trans	-65.2	-44.5	178.6	-67.9	170.8	0	0	0	111.8	Y196 L198 M226 K228 N241 I242 G243 M249	Y196-L245 VanDerWaalsContact CB-CD1 3.49Å; Y196-L245 HydrophobicContact CD1-CD1 4.2Å; Y196-L245 HydrophobicContact CG-CD1 3.87Å; L198-L245 HydrophobicContact CD2-CB 3.93Å; M226-L245 HydrophobicContact CE-CD2 3.57Å; M226-L245 HydrophobicContact SD-CB 4.35Å; M226-L245 HydrophobicContact SD-CD2 3.98Å; K228-L245 HydrophobicContact CB-CD2 3.98Å; K228-L245 HydrophobicContact CD-CD2 3.78Å; N241-L245 WeakPolarHBondContact O-CG 3.34Å; N241-L245 PolarHBondContact O-N 3.23Å; I242-L245 PolarHBondContact O-N 2.84Å; I242-L245 VanDerWaalsContact O-N 3.15Å; G243-L245 VanDerWaalsContact C-N 3.34Å; G243-L245 PolarHBondContact O-N 2.81Å; L245-M249 VanDerWaalsContact O-CB 3.25Å; L245-M249 WeakPolarHBondContact O-CB 3.3Å; L245-M249 PolarHBondContact O-N 3.03Å
246	V	97.8	Very high	95.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.8	-47.3	178.4	170.8	0	0	0	0	110.7	F133 I161 H181 L198 I242 G243 M249 E250	F133-V246 HydrophobicContact CE1-CB 4.15Å; F133-V246 HydrophobicContact CE1-CG1 3.99Å; F133-V246 HydrophobicContact CE1-CG2 4.31Å; F133-V246 HydrophobicContact CZ-CB 4.44Å; F133-V246 HydrophobicContact CZ-CG2 4.22Å; I161-V246 HydrophobicContact CD1-CG2 4.31Å; H181-V246 HydrophobicContact CB-CG2 4.2Å; L198-V246 HydrophobicContact CD1-CG2 4.24Å; L198-V246 HydrophobicContact CD2-CG2 4.22Å; I242-V246 HydrophobicContact CG2-CG2 4.13Å; I242-V246 WeakPolarHBondContact O-CG2 3.28Å; I242-V246 PolarHBondContact O-N 2.81Å; G243-V246 PolarHBondContact O-N 3.21Å; V246-M249 PolarHBondContact O-N 3.19Å; V246-E250 HydrophobicContact CG1-CG 4.42Å; V246-E250 WeakPolarHBondContact O-CB 3.41Å; V246-E250 PolarHBondContact O-N 3.4Å
247	E	97.3	Very high	95.7	Very high	66 Å²	66	37.9 Å²	37.9	31%	0.308	20%	0.195	S	C	.	.	H	α-helix	trans	-60	-48.2	179.3	-177.4	175.8	-145.8	0	0	112.3	Y136 Y140 G243 M249 N251	Y136-E247 HydrophobicContact CE2-CB 3.96Å; Y136-E247 HydrophobicContact CE2-CG 4.09Å; Y140-E247 HydrophobicContact CE2-CG 4.43Å; Y140-E247 PolarHBondContact OH-OE1 3.43Å; G243-E247 VanDerWaalsContact O-CB 3.32Å; G243-E247 WeakPolarHBondContact O-CB 3.38Å; G243-E247 PolarHBondContact O-N 3.03Å; E247-M249 VanDerWaalsContact C-N 3.31Å; E247-M249 PolarHBondContact O-N 2.84Å; E247-N251 WeakPolarHBondContact O-CB 3.29Å; E247-N251 PolarHBondContact O-N 3.16Å; E247-N251 PolarHBondContact O-ND2 2.81Å
248	D	96.7	Very high	95.5	Very high	77 Å²	77	39.3 Å²	39.3	41%	0.412	20%	0.199	S	C	.	.	H	α-helix	trans	-61.5	-40.7	176.5	-83.3	-11.4	0	0	0	111.8	R244 K252	R244-D248 WeakPolarHBondContact O-CB 3.34Å; R244-D248 PolarHBondContact O-N 2.91Å; R244-D248 VanDerWaalsContact O-N 3.07Å; D248-K252 WeakPolarHBondContact O-CD 3.36Å; D248-K252 VanDerWaalsContact O-CG 3.25Å; D248-K252 WeakPolarHBondContact O-CG 3.49Å; D248-K252 PolarHBondContact O-N 3.41Å
249	M	96.1	Very high	95.2	Very high	7 Å²	7	43.9 Å²	43.9	3%	0.034	22%	0.221	C	C	.	.	H	α-helix	trans	-71.2	-47.4	-178.8	-176.1	56.5	78.1	0	0	111.7	L198 S200 R224 M226 L245 V246 E247 N251 K252 I253	L198-M249 HydrophobicContact CD2-CB 3.93Å; L198-M249 HydrophobicContact CD2-CG 4.33Å; S200-M249 WeakPolarHBondContact OG-CG 3.46Å; R224-M249 HydrophobicContact CB-CE 4.04Å; R224-M249 HydrophobicContact CB-SD 3.57Å; R224-M249 VanDerWaalsContact CB-SD 3.57Å; R224-M249 HydrophobicContact CG-SD 4.45Å; M226-M249 HydrophobicContact CB-CE 3.57Å; M226-M249 HydrophobicContact CG-CE 3.51Å; M226-M249 HydrophobicContact SD-CB 4.17Å; M226-M249 HydrophobicContact SD-CE 3.6Å; L245-M249 VanDerWaalsContact O-CB 3.25Å; L245-M249 WeakPolarHBondContact O-CB 3.3Å; L245-M249 PolarHBondContact O-N 3.03Å; V246-M249 PolarHBondContact O-N 3.19Å; E247-M249 VanDerWaalsContact C-N 3.31Å; E247-M249 PolarHBondContact O-N 2.84Å; M249-N251 VanDerWaalsContact C-N 3.31Å; M249-N251 PolarHBondContact O-N 2.87Å; M249-K252 PolarHBondContact O-N 3.49Å; M249-I253 HydrophobicContact CG-CD1 3.73Å; M249-I253 HydrophobicContact CG-CG1 4.33Å; M249-I253 WeakPolarHBondContact O-CB 3.35Å; M249-I253 WeakPolarHBondContact O-CG1 3.39Å; M249-I253 PolarHBondContact O-N 3.03Å; M249-I253 HydrophobicContact SD-CD1 3.9Å; M249-I253 HydrophobicContact SD-CG1 4.02Å
250	E	94.6	Very high	94.9	Very high	9 Å²	9	45.6 Å²	45.6	4%	0.042	23%	0.229	C	C	.	.	H	α-helix	trans	-58.4	-43.9	175.9	-83.1	-151.5	170.7	0	0	111.2	Y136 S179 H181 V246 K252 I253 R254	Y136-E250 PolarHBondContact OH-OE2 3.02Å; Y136-E250 VanDerWaalsContact OH-OE2 3.08Å; S179-E250 VanDerWaalsContact CB-OE1 3.24Å; S179-E250 WeakPolarHBondContact CB-OE1 3.45Å; S179-E250 PolarHBondContact OG-OE1 2.8Å; H181-E250 IonicContact CD2-OE1 3.83Å; H181-E250 WeakPolarHBondContact CE1-CG 3.38Å; H181-E250 IonicContact CE1-OE1 2.84Å; H181-E250 VanDerWaalsContact NE2-CG 3.32Å; H181-E250 WeakPolarHBondContact NE2-CG 3.5Å; H181-E250 IonicContact NE2-OE1 3.09Å; H181-E250 PolarHBondContact NE2-OE1 3.33Å; V246-E250 HydrophobicContact CG1-CG 4.42Å; V246-E250 WeakPolarHBondContact O-CB 3.41Å; V246-E250 PolarHBondContact O-N 3.4Å; E250-K252 VanDerWaalsContact C-N 3.33Å; E250-K252 PolarHBondContact O-N 2.8Å; E250-I253 PolarHBondContact O-N 3.46Å; E250-R254 VanDerWaalsContact O-CB 3.23Å; E250-R254 WeakPolarHBondContact O-CB 3.32Å; E250-R254 PolarHBondContact O-N 3.39Å
251	N	95.4	Very high	94.5	Very high	50 Å²	50	44.6 Å²	44.6	27%	0.267	22%	0.217	S	C	.	.	H	α-helix	trans	-60.2	-42.6	177.7	-82.6	-42.2	0	0	0	112.5	E247 M249 S255	E247-N251 WeakPolarHBondContact O-CB 3.29Å; E247-N251 PolarHBondContact O-N 3.16Å; E247-N251 PolarHBondContact O-ND2 2.81Å; M249-N251 VanDerWaalsContact C-N 3.31Å; M249-N251 PolarHBondContact O-N 2.87Å; N251-S255 PolarHBondContact O-N 3.22Å; N251-S255 VanDerWaalsContact O-N 3.1Å
252	K	95.6	Very high	94.1	Very high	102 Å²	102	49.6 Å²	49.6	44%	0.443	24%	0.239	S	C	.	.	H	α-helix	trans	-66.8	-43.5	175.9	-72.9	167.7	-172.3	166.4	0	112	D248 M249 E250 S255 T256	D248-K252 WeakPolarHBondContact O-CD 3.36Å; D248-K252 VanDerWaalsContact O-CG 3.25Å; D248-K252 WeakPolarHBondContact O-CG 3.49Å; D248-K252 PolarHBondContact O-N 3.41Å; M249-K252 PolarHBondContact O-N 3.49Å; E250-K252 VanDerWaalsContact C-N 3.33Å; E250-K252 PolarHBondContact O-N 2.8Å; K252-S255 PolarHBondContact O-N 3.15Å; K252-T256 WeakPolarHBondContact O-CB 3.32Å; K252-T256 PolarHBondContact O-N 3.22Å; K252-T256 PolarHBondContact O-OG1 3.41Å
253	I	95	Very high	93.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.9	-45.7	178.3	-72.3	172.7	0	0	0	109.9	V202 L222 R224 M249 E250 S255 T256 L257	V202-I253 HydrophobicContact CB-CG2 3.6Å; V202-I253 HydrophobicContact CG1-CG2 4.28Å; V202-I253 HydrophobicContact CG2-CB 4.33Å; V202-I253 HydrophobicContact CG2-CD1 4.14Å; V202-I253 HydrophobicContact CG2-CG2 3.51Å; L222-I253 HydrophobicContact CB-CG2 4.49Å; L222-I253 HydrophobicContact CD2-CG2 4.2Å; R224-I253 HydrophobicContact CB-CD1 4.3Å; R224-I253 HydrophobicContact CB-CG1 4.4Å; R224-I253 HydrophobicContact CG-CG1 4.32Å; M249-I253 HydrophobicContact CG-CD1 3.73Å; M249-I253 HydrophobicContact CG-CG1 4.33Å; M249-I253 WeakPolarHBondContact O-CB 3.35Å; M249-I253 WeakPolarHBondContact O-CG1 3.39Å; M249-I253 PolarHBondContact O-N 3.03Å; M249-I253 HydrophobicContact SD-CD1 3.9Å; M249-I253 HydrophobicContact SD-CG1 4.02Å; E250-I253 PolarHBondContact O-N 3.46Å; I253-S255 PolarHBondContact O-N 3.43Å; I253-T256 PolarHBondContact O-N 3.26Å; I253-T256 VanDerWaalsContact O-N 3.13Å; I253-L257 HydrophobicContact CG2-CD1 3.72Å; I253-L257 HydrophobicContact CG2-CG 4.1Å; I253-L257 WeakPolarHBondContact O-CB 3.38Å; I253-L257 WeakPolarHBondContact O-CG 3.35Å; I253-L257 PolarHBondContact O-N 3.11Å
254	R	93.6	Very high	93.4	Very high	134 Å²	134	55.8 Å²	55.8	51%	0.506	27%	0.267	S	S	.	.	H	α-helix	trans	-57.5	-45.3	176.6	-174.1	-174.2	60.7	70.4	2	112.2	W177 E250 T256 L257 N258	W177-R254 HydrophobicContact CH2-CB 4.07Å; W177-R254 HydrophobicContact CH2-CG 4.16Å; E250-R254 VanDerWaalsContact O-CB 3.23Å; E250-R254 WeakPolarHBondContact O-CB 3.32Å; E250-R254 PolarHBondContact O-N 3.39Å; R254-T256 VanDerWaalsContact C-N 3.35Å; R254-L257 PolarHBondContact O-N 3.32Å; R254-N258 WeakPolarHBondContact O-CB 3.22Å; R254-N258 PolarHBondContact O-N 3Å
255	S	94.3	Very high	93.1	Very high	50 Å²	50	53.3 Å²	53.3	35%	0.35	26%	0.263	S	S	.	.	H	α-helix	trans	-61.4	-45.1	175.3	-165.1	0	0	0	0	111.5	N251 K252 I253 N258 E259	N251-S255 PolarHBondContact O-N 3.22Å; N251-S255 VanDerWaalsContact O-N 3.1Å; K252-S255 PolarHBondContact O-N 3.15Å; I253-S255 PolarHBondContact O-N 3.43Å; S255-N258 WeakPolarHBondContact O-CB 3.49Å; S255-N258 PolarHBondContact O-N 3.21Å; S255-E259 PolarHBondContact O-N 3.31Å; S255-E259 VanDerWaalsContact O-N 3.12Å
256	T	93.3	Very high	92.7	Very high	22 Å²	22	59 Å²	59	14%	0.135	29%	0.287	C	S	.	.	H	α-helix	trans	-64.9	-42.4	-179.9	-51.9	0	0	0	0	111.5	L222 R224 K252 I253 R254 N258 E259 I260	L222-T256 HydrophobicContact CD2-CG2 3.53Å; R224-T256 PolarHBondContact NH2-OG1 3Å; K252-T256 WeakPolarHBondContact O-CB 3.32Å; K252-T256 PolarHBondContact O-N 3.22Å; K252-T256 PolarHBondContact O-OG1 3.41Å; I253-T256 PolarHBondContact O-N 3.26Å; I253-T256 VanDerWaalsContact O-N 3.13Å; R254-T256 VanDerWaalsContact C-N 3.35Å; T256-N258 VanDerWaalsContact C-N 3.33Å; T256-N258 PolarHBondContact O-N 3.43Å; T256-E259 PolarHBondContact O-N 3.38Å; T256-I260 HydrophobicContact CG2-CD1 3.77Å; T256-I260 HydrophobicContact CG2-CG1 4.42Å; T256-I260 VanDerWaalsContact O-CG1 3.3Å; T256-I260 WeakPolarHBondContact O-CG1 3.25Å; T256-I260 PolarHBondContact O-N 3.3Å
257	L	91.1	Very high	92.3	Very high	5 Å²	5	64 Å²	64	3%	0.026	31%	0.314	C	S	.	.	H	α-helix	trans	-61.2	-42.9	175.6	-75.9	172.4	0	0	0	111	W177 V202 L222 I253 R254 E259 I260 Y261	W177-L257 HydrophobicContact CH2-CD1 3.83Å; W177-L257 HydrophobicContact CZ3-CD1 4Å; V202-L257 HydrophobicContact CB-CD1 4.12Å; V202-L257 HydrophobicContact CG1-CD1 3.58Å; L222-L257 HydrophobicContact CB-CD2 3.89Å; L222-L257 HydrophobicContact CB-CG 4.39Å; L222-L257 HydrophobicContact CD2-CG 4.39Å; I253-L257 HydrophobicContact CG2-CD1 3.72Å; I253-L257 HydrophobicContact CG2-CG 4.1Å; I253-L257 WeakPolarHBondContact O-CB 3.38Å; I253-L257 WeakPolarHBondContact O-CG 3.35Å; I253-L257 PolarHBondContact O-N 3.11Å; R254-L257 PolarHBondContact O-N 3.32Å; L257-E259 PolarHBondContact O-N 3.16Å; L257-I260 PolarHBondContact O-N 3.43Å; L257-Y261 HydrophobicContact CD2-CD2 3.99Å; L257-Y261 HydrophobicContact CD2-CE2 3.51Å; L257-Y261 VanDerWaalsContact O-CB 3.26Å; L257-Y261 WeakPolarHBondContact O-CB 3.41Å; L257-Y261 WeakPolarHBondContact O-CD2 3.45Å; L257-Y261 PolarHBondContact O-N 2.9Å
258	N	90	Very high	92	Very high	89 Å²	89	66.2 Å²	66.2	48%	0.476	33%	0.327	S	S	.	.	H	α-helix	trans	-59.1	-47.2	177.1	-176.7	45.8	0	0	0	112	R254 S255 T256 F262	R254-N258 WeakPolarHBondContact O-CB 3.22Å; R254-N258 PolarHBondContact O-N 3Å; S255-N258 WeakPolarHBondContact O-CB 3.49Å; S255-N258 PolarHBondContact O-N 3.21Å; T256-N258 VanDerWaalsContact C-N 3.33Å; T256-N258 PolarHBondContact O-N 3.43Å; N258-F262 PolarHBondContact O-N 2.88Å; N258-F262 VanDerWaalsContact OD1-CD2 3.28Å; N258-F262 WeakPolarHBondContact OD1-CD2 3.43Å
259	E	91.3	Very high	91.7	Very high	118 Å²	118	66.7 Å²	66.7	55%	0.551	33%	0.333	S	S	*	.	I	π-helix	trans	-63.6	-41.8	177.9	-70.7	169.5	-156.7	0	0	112.7	S255 T256 L257 G263 K264	S255-E259 PolarHBondContact O-N 3.31Å; S255-E259 VanDerWaalsContact O-N 3.12Å; T256-E259 PolarHBondContact O-N 3.38Å; L257-E259 PolarHBondContact O-N 3.16Å; E259-G263 CarbonylContact O-C 3.56Å; E259-G263 WeakPolarHBondContact O-CA 3.41Å; E259-G263 PolarHBondContact O-N 3.39Å; E259-K264 PolarHBondContact O-N 3.3Å
260	I	89.8	Confident	91.3	Very high	60 Å²	60	70.1 Å²	70.1	31%	0.308	35%	0.351	S	S	.	.	I	π-helix	trans	-71.9	-52.6	-179.5	-66.5	172.7	0	0	0	110.5	T256 L257 K264 T265	T256-I260 HydrophobicContact CG2-CD1 3.77Å; T256-I260 HydrophobicContact CG2-CG1 4.42Å; T256-I260 VanDerWaalsContact O-CG1 3.3Å; T256-I260 WeakPolarHBondContact O-CG1 3.25Å; T256-I260 PolarHBondContact O-N 3.3Å; L257-I260 PolarHBondContact O-N 3.43Å; I260-K264 HydrophobicContact CG1-CD 4.38Å; I260-K264 WeakPolarHBondContact O-CB 3.45Å; I260-K264 PolarHBondContact O-N 3.37Å; I260-T265 PolarHBondContact O-N 2.8Å
261	Y	87.6	Confident	90.9	Very high	19 Å²	19	72.3 Å²	72.3	8%	0.075	38%	0.376	C	S	.	.	I	π-helix	trans	-69.7	-42.3	-172.5	-84.4	-115.5	0	0	0	112.3	L204 L218 G219 G220 L257 T265	L204-Y261 HydrophobicContact CB-CE1 4.45Å; L204-Y261 HydrophobicContact CD2-CD1 4.17Å; L204-Y261 HydrophobicContact CD2-CE1 4.19Å; L204-Y261 HydrophobicContact CD2-CG 4.43Å; L204-Y261 HydrophobicContact CG-CE1 4.27Å; L204-Y261 PolarHBondContact O-OH 2.97Å; L218-Y261 HydrophobicContact CB-CD1 3.9Å; L218-Y261 HydrophobicContact CB-CE1 4.07Å; G219-Y261 VanDerWaalsContact C-OH 3.23Å; G220-Y261 WeakPolarHBondContact CA-OH 3.45Å; G220-Y261 PolarHBondContact N-OH 3.31Å; G220-Y261 PolarHBondContact O-OH 2.87Å; G220-Y261 VanDerWaalsContact O-OH 3.06Å; L257-Y261 HydrophobicContact CD2-CD2 3.99Å; L257-Y261 HydrophobicContact CD2-CE2 3.51Å; L257-Y261 VanDerWaalsContact O-CB 3.26Å; L257-Y261 WeakPolarHBondContact O-CB 3.41Å; L257-Y261 WeakPolarHBondContact O-CD2 3.45Å; L257-Y261 PolarHBondContact O-N 2.9Å; Y261-T265 PolarHBondContact O-OG1 3.34Å
262	F	88.6	Confident	90.6	Very high	105 Å²	105	77 Å²	77	46%	0.461	40%	0.4	S	S	.	.	I	π-helix	trans	-106.6	-14.4	-173.4	-54.3	-70.2	0	0	0	113.7	L206 L218 N258 K266	L206-F262 HydrophobicContact CD1-CE1 4.21Å; L206-F262 HydrophobicContact CD1-CZ 3.63Å; L218-F262 HydrophobicContact CD1-CE1 4.45Å; N258-F262 PolarHBondContact O-N 2.88Å; N258-F262 VanDerWaalsContact OD1-CD2 3.28Å; N258-F262 WeakPolarHBondContact OD1-CD2 3.43Å; F262-K266 WeakPolarHBondContact O-CB 3.25Å
263	G	90.4	Very high	90	Very high	25 Å²	25	81.7 Å²	81.7	26%	0.258	42%	0.415	S	S	.	.	I	π-helix	trans	-93.7	-75.4	170.3	0	0	0	0	0	111.3	E259 T265 K266 D267	E259-G263 CarbonylContact O-C 3.56Å; E259-G263 WeakPolarHBondContact O-CA 3.41Å; E259-G263 PolarHBondContact O-N 3.39Å; G263-T265 PolarHBondContact O-N 3.15Å; G263-K266 WeakPolarHBondContact O-CB 3.36Å; G263-K266 PolarHBondContact O-N 3.41Å; G263-K266 VanDerWaalsContact O-N 3.13Å; G263-D267 PolarHBondContact O-N 2.82Å
264	K	90.4	Very high	89.2	Confident	134 Å²	134	83.9 Å²	83.9	58%	0.583	43%	0.431	S	S	*	.	I	π-helix	trans	-59	-45.7	-170.3	-66.3	-169.6	178.9	-175.1	0	113.6	E259 I260 K266 D267 I268	E259-K264 PolarHBondContact O-N 3.3Å; I260-K264 HydrophobicContact CG1-CD 4.38Å; I260-K264 WeakPolarHBondContact O-CB 3.45Å; I260-K264 PolarHBondContact O-N 3.37Å; K264-K266 VanDerWaalsContact C-N 3.29Å; K264-K266 PolarHBondContact O-N 3.5Å; K264-D267 PolarHBondContact O-N 3.03Å; K264-I268 VanDerWaalsContact O-CG1 3.28Å; K264-I268 WeakPolarHBondContact O-CG1 3.41Å; K264-I268 PolarHBondContact O-N 3.32Å
265	T	89.4	Confident	88.4	Confident	41 Å²	41	83.9 Å²	83.9	25%	0.252	45%	0.445	S	S	.	.	H	α-helix	trans	-63.8	-38.3	-179.5	76.1	0	0	0	0	111.7	L218 I260 Y261 G263 I268 V269	L218-T265 HydrophobicContact CD2-CG2 4.23Å; I260-T265 PolarHBondContact O-N 2.8Å; Y261-T265 PolarHBondContact O-OG1 3.34Å; G263-T265 PolarHBondContact O-N 3.15Å; T265-I268 PolarHBondContact O-N 2.8Å; T265-V269 VanDerWaalsContact O-CG2 3.29Å; T265-V269 WeakPolarHBondContact O-CG2 3.39Å; T265-V269 PolarHBondContact O-N 3.48Å
266	K	89	Confident	87.4	Confident	125 Å²	125	86.3 Å²	86.3	54%	0.543	45%	0.451	S	S	.	.	H	α-helix	trans	-64.7	-44.1	177.1	177.9	-175.3	173.6	-171.9	0	111	F262 G263 K264 V269 N270	F262-K266 WeakPolarHBondContact O-CB 3.25Å; G263-K266 WeakPolarHBondContact O-CB 3.36Å; G263-K266 PolarHBondContact O-N 3.41Å; G263-K266 VanDerWaalsContact O-N 3.13Å; K264-K266 VanDerWaalsContact C-N 3.29Å; K264-K266 PolarHBondContact O-N 3.5Å; K266-V269 PolarHBondContact O-N 2.57Å; K266-N270 WeakPolarHBondContact O-CB 3.49Å; K266-N270 VanDerWaalsContact O-CG 3.22Å; K266-N270 PolarHBondContact O-N 3.41Å; K266-N270 PolarHBondContact O-ND2 3.02Å
267	D	89	Confident	86.4	Confident	107 Å²	107	88.9 Å²	88.9	57%	0.572	47%	0.467	S	S	*	.	H	α-helix	trans	-64	-41.2	178.6	-67.9	-19.2	0	0	0	111.6	G263 K264 N270 G271	G263-D267 PolarHBondContact O-N 2.82Å; K264-D267 PolarHBondContact O-N 3.03Å; D267-N270 PolarHBondContact O-N 2.73Å; D267-G271 PolarHBondContact O-N 2.83Å
268	I	90.6	Very high	85.3	Confident	111 Å²	111	97.3 Å²	97.3	57%	0.569	50%	0.503	S	S	*	.	H	α-helix	trans	-61.4	-49.3	174.8	-67.2	164.9	0	0	0	110.5	K264 T265 N270 G271 L272	K264-I268 VanDerWaalsContact O-CG1 3.28Å; K264-I268 WeakPolarHBondContact O-CG1 3.41Å; K264-I268 PolarHBondContact O-N 3.32Å; T265-I268 PolarHBondContact O-N 2.8Å; I268-N270 VanDerWaalsContact C-N 3.35Å; I268-N270 PolarHBondContact O-N 3.17Å; I268-G271 WeakPolarHBondContact O-CA 3.47Å; I268-G271 PolarHBondContact O-N 3.47Å; I268-G271 VanDerWaalsContact O-N 3.1Å; I268-L272 HydrophobicContact CG2-CD1 4.39Å; I268-L272 WeakPolarHBondContact O-CG 3.34Å; I268-L272 PolarHBondContact O-N 3.05Å
269	V	90.1	Very high	84.3	Confident	88 Å²	88	95.7 Å²	95.7	53%	0.533	50%	0.502	S	S	.	.	H	α-helix	trans	-59.9	-44.5	179.1	170.8	0	0	0	0	111.4	T265 K266 G271 L272 R273	T265-V269 VanDerWaalsContact O-CG2 3.29Å; T265-V269 WeakPolarHBondContact O-CG2 3.39Å; T265-V269 PolarHBondContact O-N 3.48Å; K266-V269 PolarHBondContact O-N 2.57Å; V269-G271 VanDerWaalsContact C-N 3.27Å; V269-G271 PolarHBondContact O-N 3.43Å; V269-L272 PolarHBondContact O-N 3.29Å; V269-R273 PolarHBondContact O-N 2.88Å
270	N	88	Confident	83.5	Confident	79 Å²	79	93.4 Å²	93.4	42%	0.422	49%	0.494	S	S	.	.	H	α-helix	trans	-68.6	-26.7	177.1	-69.3	-26	0	0	0	112.9	K266 D267 I268 R273 S274	K266-N270 WeakPolarHBondContact O-CB 3.49Å; K266-N270 VanDerWaalsContact O-CG 3.22Å; K266-N270 PolarHBondContact O-N 3.41Å; K266-N270 PolarHBondContact O-ND2 3.02Å; D267-N270 PolarHBondContact O-N 2.73Å; I268-N270 VanDerWaalsContact C-N 3.35Å; I268-N270 PolarHBondContact O-N 3.17Å; N270-R273 CarbonylContact O-C 3.52Å; N270-S274 PolarHBondContact O-N 3.15Å
271	G	86.2	Confident	82.7	Confident	55 Å²	55	94.3 Å²	94.3	57%	0.567	50%	0.496	S	S	*	.	H	α-helix	trans	-69.1	-40.4	173.2	0	0	0	0	0	112.7	D267 I268 V269	D267-G271 PolarHBondContact O-N 2.83Å; I268-G271 WeakPolarHBondContact O-CA 3.47Å; I268-G271 PolarHBondContact O-N 3.47Å; I268-G271 VanDerWaalsContact O-N 3.1Å; V269-G271 VanDerWaalsContact C-N 3.27Å; V269-G271 PolarHBondContact O-N 3.43Å
272	L	88.8	Confident	82	Confident	149 Å²	149	96.5 Å²	96.5	78%	0.78	51%	0.514	S	S	*	.	H	α-helix	trans	-70	-36.3	178.7	-65.6	173.5	0	0	0	112.7	I268 V269	I268-L272 HydrophobicContact CG2-CD1 4.39Å; I268-L272 WeakPolarHBondContact O-CG 3.34Å; I268-L272 PolarHBondContact O-N 3.05Å; V269-L272 PolarHBondContact O-N 3.29Å
273	R	83.5	Confident	81.6	Confident	199 Å²	199	98.5 Å²	98.5	75%	0.751	52%	0.523	S	S	*	.	S	Bend	trans	-144.7	98.5	178.2	-169.8	177.1	-176.9	-82.1	0.1	111.1	V269 N270	V269-R273 PolarHBondContact O-N 2.88Å; N270-R273 CarbonylContact O-C 3.52Å
274	S	77.5	Confident	81	Confident	47 Å²	47	103 Å²	103	33%	0.329	54%	0.537	S	S	.	.			trans	-90	131.9	175.3	177.8	0	0	0	0	111.1	N270 Q276 K281	N270-S274 PolarHBondContact O-N 3.15Å; S274-Q276 VanDerWaalsContact C-N 3.35Å; S274-Q276 WeakPolarHBondContact OG-CB 3.47Å; S274-Q276 PolarHBondContact OG-N 2.91Å; S274-Q276 VanDerWaalsContact OG-N 3.17Å; S274-Q276 PolarHBondContact OG-O 3.33Å; S274-K281 WeakPolarHBondContact OG-CE 3.27Å
275	V	78.2	Confident	80.5	Confident	134 Å²	134	102.9 Å²	102.9	81%	0.812	54%	0.538	S	S	*	.	S	Bend	trans	-78	-27.1	168.4	-172.9	0	0	0	0	110.7
276	Q	72.4	Confident	80.2	Confident	100 Å²	100	103.3 Å²	103.3	47%	0.467	55%	0.546	S	S	.	.	S	Bend	trans	-67.4	135.6	171.7	-71.8	178	-14.1	0	0	109.9	S274	S274-Q276 VanDerWaalsContact C-N 3.35Å; S274-Q276 WeakPolarHBondContact OG-CB 3.47Å; S274-Q276 PolarHBondContact OG-N 2.91Å; S274-Q276 VanDerWaalsContact OG-N 3.17Å; S274-Q276 PolarHBondContact OG-O 3.33Å
277	T	72.5	Confident	80.1	Confident	76 Å²	76	102.5 Å²	102.5	47%	0.466	55%	0.547	S	S	.	.			trans	-66.8	153.4	176.7	69.2	0	0	0	0	110.2	A279 D280 K281	T277-A279 PolarHBondContact O-N 3.43Å; T277-D280 PolarHBondContact O-N 2.83Å; T277-D280 PolarHBondContact OG1-N 3.1Å; T277-D280 PolarHBondContact OG1-OD2 2.88Å; T277-K281 PolarHBondContact O-N 3.19Å
278	F	67.6	Low	79.8	Confident	182 Å²	182	104.3 Å²	104.3	80%	0.798	55%	0.55	S	S	*	.	H	α-helix	trans	-57.4	-31.5	176	-162.2	-91.3	0	0	0	111.9	K281 S282	F278-K281 PolarHBondContact O-N 2.86Å; F278-S282 WeakPolarHBondContact O-CB 3.33Å; F278-S282 PolarHBondContact O-N 3.07Å
279	A	68.8	Low	79.6	Confident	55 Å²	55	103.9 Å²	103.9	46%	0.455	55%	0.549	S	S	.	.	H	α-helix	trans	-64.3	-38.6	176.5	0	0	0	0	0	112.8	T277 S282 K283	T277-A279 PolarHBondContact O-N 3.43Å; A279-S282 PolarHBondContact O-N 3.05Å; A279-K283 WeakPolarHBondContact O-CG 2.99Å; A279-K283 PolarHBondContact O-N 2.95Å
280	D	75.9	Confident	79.5	Confident	70 Å²	70	104.7 Å²	104.7	37%	0.374	55%	0.55	S	S	.	.	H	α-helix	trans	-71.7	-37.5	178.7	-60.8	-41	0	0	0	111.7	T277 K283 Q284	T277-D280 PolarHBondContact O-N 2.83Å; T277-D280 PolarHBondContact OG1-N 3.1Å; T277-D280 PolarHBondContact OG1-OD2 2.88Å; D280-K283 PolarHBondContact O-N 2.83Å; D280-Q284 PolarHBondContact O-N 3.25Å
281	K	72.2	Confident	79.4	Confident	79 Å²	79	105.6 Å²	105.6	34%	0.343	55%	0.554	S	S	.	*	H	α-helix	trans	-62.4	-44.6	172.3	-78	-171.9	175.3	-176.6	0	111.9	S274 T277 F278 K283 Q284 E285	S274-K281 WeakPolarHBondContact OG-CE 3.27Å; T277-K281 PolarHBondContact O-N 3.19Å; F278-K281 PolarHBondContact O-N 2.86Å; K281-K283 VanDerWaalsContact C-N 3.33Å; K281-K283 PolarHBondContact O-N 3.34Å; K281-Q284 PolarHBondContact O-N 2.99Å; K281-E285 PolarHBondContact O-N 2.8Å
282	S	73.2	Confident	79.5	Confident	65 Å²	65	106.1 Å²	106.1	46%	0.455	55%	0.546	S	S	.	.	H	α-helix	trans	-62.9	-39.3	177.6	-175.3	0	0	0	0	112.1	F278 A279 E285 A286	F278-S282 WeakPolarHBondContact O-CB 3.33Å; F278-S282 PolarHBondContact O-N 3.07Å; A279-S282 PolarHBondContact O-N 3.05Å; S282-E285 PolarHBondContact O-N 3.37Å; S282-A286 WeakPolarHBondContact O-CB 3.34Å; S282-A286 PolarHBondContact O-N 3.48Å
283	K	79.6	Confident	79.5	Confident	148 Å²	148	103.8 Å²	103.8	64%	0.643	53%	0.532	S	S	*	.	H	α-helix	trans	-64.5	-39.1	172.8	-74.7	176	-178.1	175.5	0	112.7	A279 D280 K281 A286 L287	A279-K283 WeakPolarHBondContact O-CG 2.99Å; A279-K283 PolarHBondContact O-N 2.95Å; D280-K283 PolarHBondContact O-N 2.83Å; K281-K283 VanDerWaalsContact C-N 3.33Å; K281-K283 PolarHBondContact O-N 3.34Å; K283-A286 PolarHBondContact O-N 3.18Å; K283-L287 WeakPolarHBondContact O-CB 3.4Å; K283-L287 PolarHBondContact O-N 3.09Å
284	Q	77.7	Confident	79.6	Confident	118 Å²	118	96.9 Å²	96.9	55%	0.551	52%	0.517	S	S	*	.	H	α-helix	trans	-66.2	-39.7	175.6	-90.8	-173.4	-30.4	0	0	112.8	D280 K281 L287 K288	D280-Q284 PolarHBondContact O-N 3.25Å; K281-Q284 PolarHBondContact O-N 2.99Å; Q284-L287 PolarHBondContact O-N 3.36Å; Q284-K288 WeakPolarHBondContact O-CB 3.37Å; Q284-K288 PolarHBondContact O-N 3.48Å
285	E	80.9	Confident	80	Confident	133 Å²	133	99.5 Å²	99.5	62%	0.621	53%	0.527	S	S	*	.	H	α-helix	trans	-65.4	-42.8	174.6	-80.3	-175.6	158.8	0	0	112	K281 S282 L287 K288 N289	K281-E285 PolarHBondContact O-N 2.8Å; S282-E285 PolarHBondContact O-N 3.37Å; E285-L287 PolarHBondContact O-N 3.06Å; E285-K288 PolarHBondContact O-N 3.02Å; E285-N289 PolarHBondContact O-N 2.81Å; E285-N289 PolarHBondContact O-ND2 2.91Å
286	A	83	Confident	80.3	Confident	50 Å²	50	99.4 Å²	99.4	41%	0.413	52%	0.515	S	S	.	.	H	α-helix	trans	-58.7	-47.5	173.8	0	0	0	0	0	111.3	S282 K283 K288 N289 D290	S282-A286 WeakPolarHBondContact O-CB 3.34Å; S282-A286 PolarHBondContact O-N 3.48Å; K283-A286 PolarHBondContact O-N 3.18Å; A286-K288 VanDerWaalsContact C-N 3.31Å; A286-K288 PolarHBondContact O-N 2.86Å; A286-N289 PolarHBondContact O-N 3.18Å; A286-D290 PolarHBondContact O-N 3.46Å
287	L	86.4	Confident	80.7	Confident	108 Å²	108	102.5 Å²	102.5	57%	0.565	52%	0.523	S	S	*	.	H	α-helix	trans	-61.9	-38.2	177.6	-164.7	80.7	0	0	0	112.5	K283 Q284 E285 D290 L291	K283-L287 WeakPolarHBondContact O-CB 3.4Å; K283-L287 PolarHBondContact O-N 3.09Å; Q284-L287 PolarHBondContact O-N 3.36Å; E285-L287 PolarHBondContact O-N 3.06Å; L287-D290 PolarHBondContact O-N 2.88Å; L287-L291 HydrophobicContact CG-CD1 4.4Å; L287-L291 WeakPolarHBondContact O-CB 3.27Å; L287-L291 PolarHBondContact O-N 2.73Å
288	K	83.8	Confident	80.8	Confident	145 Å²	145	106.9 Å²	106.9	63%	0.63	54%	0.535	S	S	*	.	H	α-helix	trans	-64.9	-42.5	176.8	-174.9	-176	172.4	-174.9	0	111.1	Q284 E285 A286 L291 V292	Q284-K288 WeakPolarHBondContact O-CB 3.37Å; Q284-K288 PolarHBondContact O-N 3.48Å; E285-K288 PolarHBondContact O-N 3.02Å; A286-K288 VanDerWaalsContact C-N 3.31Å; A286-K288 PolarHBondContact O-N 2.86Å; K288-L291 PolarHBondContact O-N 2.65Å; K288-V292 VanDerWaalsContact O-CG2 3.31Å; K288-V292 WeakPolarHBondContact O-CG2 3.36Å; K288-V292 PolarHBondContact O-N 3.22Å
289	N	85.3	Confident	80.8	Confident	101 Å²	101	106.2 Å²	106.2	54%	0.54	53%	0.534	S	S	.	.	H	α-helix	trans	-64.9	-43.7	176.7	-69.2	-21.4	0	0	0	111.2	E285 A286 L291 V292 E293	E285-N289 PolarHBondContact O-N 2.81Å; E285-N289 PolarHBondContact O-ND2 2.91Å; A286-N289 PolarHBondContact O-N 3.18Å; N289-L291 VanDerWaalsContact C-N 3.32Å; N289-L291 PolarHBondContact O-N 2.68Å; N289-V292 PolarHBondContact O-N 3.23Å; N289-E293 PolarHBondContact O-N 2.87Å
290	D	87.8	Confident	80.3	Confident	105 Å²	105	111.6 Å²	111.6	56%	0.561	55%	0.55	S	S	*	*	H	α-helix	trans	-60.3	-41.1	175.6	-71.9	-10.7	0	0	0	111.9	A286 L287 E293 A294	A286-D290 PolarHBondContact O-N 3.46Å; L287-D290 PolarHBondContact O-N 2.88Å; D290-E293 PolarHBondContact O-N 2.84Å; D290-A294 WeakPolarHBondContact O-CB 3.48Å; D290-A294 PolarHBondContact O-N 3.08Å
291	L	87.1	Confident	79	Confident	99 Å²	99	116.4 Å²	116.4	52%	0.518	59%	0.588	S	S	.	*	H	α-helix	trans	-64.6	-42.7	175.3	-95.1	155.8	0	0	0	112.6	L287 K288 N289 E293 A294 L295	L287-L291 HydrophobicContact CG-CD1 4.4Å; L287-L291 WeakPolarHBondContact O-CB 3.27Å; L287-L291 PolarHBondContact O-N 2.73Å; K288-L291 PolarHBondContact O-N 2.65Å; N289-L291 VanDerWaalsContact C-N 3.32Å; N289-L291 PolarHBondContact O-N 2.68Å; L291-E293 VanDerWaalsContact C-N 3.33Å; L291-A294 PolarHBondContact O-N 2.69Å; L291-L295 WeakPolarHBondContact O-CB 3.29Å; L291-L295 VanDerWaalsContact O-CG 3.31Å; L291-L295 WeakPolarHBondContact O-CG 3.36Å; L291-L295 PolarHBondContact O-N 3.3Å
292	V	88.4	Confident	79.3	Confident	66 Å²	66	118.3 Å²	118.3	40%	0.4	60%	0.6	S	S	.	*	H	α-helix	trans	-64.1	-41.1	176.9	169.5	0	0	0	0	110.6	K288 N289 L295 K296	K288-V292 VanDerWaalsContact O-CG2 3.31Å; K288-V292 WeakPolarHBondContact O-CG2 3.36Å; K288-V292 PolarHBondContact O-N 3.22Å; N289-V292 PolarHBondContact O-N 3.23Å; V292-L295 PolarHBondContact O-N 3.03Å; V292-K296 WeakPolarHBondContact O-CG 3.41Å; V292-K296 PolarHBondContact O-N 2.89Å
293	E	87.3	Confident	79.7	Confident	100 Å²	100	121.1 Å²	121.1	47%	0.467	61%	0.608	S	S	.	*	H	α-helix	trans	-63.8	-44.9	173.2	-77.8	-161.5	-176.3	0	0	112.3	N289 D290 L291 L295 K296 R297	N289-E293 PolarHBondContact O-N 2.87Å; D290-E293 PolarHBondContact O-N 2.84Å; L291-E293 VanDerWaalsContact C-N 3.33Å; E293-L295 VanDerWaalsContact C-N 3.31Å; E293-L295 PolarHBondContact O-N 2.85Å; E293-K296 PolarHBondContact O-N 3.19Å; E293-R297 WeakPolarHBondContact O-CG 3.46Å; E293-R297 PolarHBondContact O-N 3.31Å; E293-R297 IonicContact OE2-NH2 3.45Å; E293-R297 PolarHBondContact OE2-NH2 3.28Å
294	A	86.6	Confident	79.7	Confident	53 Å²	53	119.6 Å²	119.6	44%	0.438	61%	0.606	S	S	.	*	H	α-helix	trans	-62	-38.8	178.4	0	0	0	0	0	112.1	D290 L291 R297 K298	D290-A294 WeakPolarHBondContact O-CB 3.48Å; D290-A294 PolarHBondContact O-N 3.08Å; L291-A294 PolarHBondContact O-N 2.69Å; A294-R297 PolarHBondContact O-N 2.96Å; A294-K298 PolarHBondContact O-N 2.83Å
295	L	86.1	Confident	79.8	Confident	103 Å²	103	119.7 Å²	119.7	54%	0.539	61%	0.609	S	S	.	*	H	α-helix	trans	-67.2	-40.9	175.4	-76.5	166.1	0	0	0	112.2	L291 V292 E293 K298 Q299	L291-L295 WeakPolarHBondContact O-CB 3.29Å; L291-L295 VanDerWaalsContact O-CG 3.31Å; L291-L295 WeakPolarHBondContact O-CG 3.36Å; L291-L295 PolarHBondContact O-N 3.3Å; V292-L295 PolarHBondContact O-N 3.03Å; E293-L295 VanDerWaalsContact C-N 3.31Å; E293-L295 PolarHBondContact O-N 2.85Å; L295-K298 PolarHBondContact O-N 3.23Å; L295-Q299 PolarHBondContact O-N 2.95Å; L295-Q299 VanDerWaalsContact O-N 3.15Å
296	K	84.1	Confident	79.7	Confident	132 Å²	132	118.9 Å²	118.9	57%	0.574	61%	0.608	S	S	*	*	H	α-helix	trans	-62.4	-42.9	174.1	-77.3	179.4	178.7	-179.6	0	111.9	V292 E293 K298 Q299 Q300	V292-K296 WeakPolarHBondContact O-CG 3.41Å; V292-K296 PolarHBondContact O-N 2.89Å; E293-K296 PolarHBondContact O-N 3.19Å; K296-K298 VanDerWaalsContact C-N 3.29Å; K296-K298 PolarHBondContact O-N 2.96Å; K296-Q299 PolarHBondContact O-N 3.13Å; K296-Q300 PolarHBondContact O-N 2.77Å
297	R	81.6	Confident	79.5	Confident	165 Å²	165	123.5 Å²	123.5	62%	0.623	62%	0.621	S	S	*	*	H	α-helix	trans	-62.5	-37	175.8	-69.8	178.3	-163.5	-173.3	9.5	111.7	E293 A294 Q299 Q300	E293-R297 WeakPolarHBondContact O-CG 3.46Å; E293-R297 PolarHBondContact O-N 3.31Å; E293-R297 IonicContact OE2-NH2 3.45Å; E293-R297 PolarHBondContact OE2-NH2 3.28Å; A294-R297 PolarHBondContact O-N 2.96Å; R297-Q299 VanDerWaalsContact C-N 3.34Å; R297-Q299 PolarHBondContact O-N 3.27Å; R297-Q300 PolarHBondContact O-N 3.05Å
298	K	73.8	Confident	79	Confident	168 Å²	168	124.6 Å²	124.6	73%	0.73	63%	0.625	S	S	*	*	H	α-helix	trans	-69.8	-23.8	176.1	-111.7	-171.2	176.3	-174.2	0	114.9	A294 L295 K296	A294-K298 PolarHBondContact O-N 2.83Å; L295-K298 PolarHBondContact O-N 3.23Å; K296-K298 VanDerWaalsContact C-N 3.29Å; K296-K298 PolarHBondContact O-N 2.96Å
299	Q	66.7	Low	78.6	Confident	167 Å²	167	123 Å²	123	78%	0.78	63%	0.625	S	S	*	*	H	α-helix	trans	-86.1	-11.3	176.3	-77.9	-179.9	-18.8	0	0	113.3	L295 K296 R297	L295-Q299 PolarHBondContact O-N 2.95Å; L295-Q299 VanDerWaalsContact O-N 3.15Å; K296-Q299 PolarHBondContact O-N 3.13Å; R297-Q299 VanDerWaalsContact C-N 3.34Å; R297-Q299 PolarHBondContact O-N 3.27Å
300	Q	58	Low	78.1	Confident	168 Å²	168	124.8 Å²	124.8	79%	0.785	63%	0.632	S	S	*	*			trans	-99.3	-0.8	179	-71	178.7	-15.8	0	0	113.3	K296 R297	K296-Q300 PolarHBondContact O-N 2.77Å; R297-Q300 PolarHBondContact O-N 3.05Å
301	C	49.4	Very low	77.2	Confident	172 Å²	172	126.6 Å²	126.6	100%	1.162	64%	0.638	S	S	*	*			trans	-105.3	0	166.9	-69.4	0	0	0	0	109.6

Retrieved 301 of 301 residues in 137.1 ms (Link to these results)

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