Q99PJ9_RAT Loading...

Zinc finger protein 597, isoform CRA_a

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession Q99PJ9, Species RAT (Rattus norvegicus, Rat), Gene Zfp597, Length 317 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.2	Very low	35.9	Very low	236 Å²	236	131.6 Å²	131.6	100%	1.163	79%	0.786	S	S	*	*				0	137.2	0	-71.6	171.9	71	0	0	107.7
2	S	31.3	Very low	36.3	Very low	130 Å²	130	126.8 Å²	126.8	91%	0.909	75%	0.753	S	S	*	*			trans	106.2	117.9	-169.7	73.9	0	0	0	0	110.5
3	G	32.9	Very low	36.9	Very low	84 Å²	84	124.5 Å²	124.5	87%	0.866	74%	0.74	S	S	*	*			cis	123.3	106.5	15.6	0	0	0	0	0	107.8
4	G	29.3	Very low	36.9	Very low	69 Å²	69	123.9 Å²	123.9	71%	0.711	73%	0.731	S	S	*	*			trans	178.3	60.3	-176.5	0	0	0	0	0	114.6	L6	G4-L6 PolarHBondContact O-N 3.03Å
5	T	33	Very low	37	Very low	131 Å²	131	122.1 Å²	122.1	80%	0.804	72%	0.716	S	S	*	*			trans	32.6	81.5	144	51.4	0	0	0	0	118.7	T7	T5-T7 VanDerWaalsContact C-N 3.35Å; T5-T7 PolarHBondContact O-N 3.49Å; T5-T7 VanDerWaalsContact O-N 3.12Å
6	L	34	Very low	37.4	Very low	176 Å²	176	122.7 Å²	122.7	92%	0.921	71%	0.714	S	S	*	*			trans	-69	97.5	147.6	-82.4	153	0	0	0	107.2	G4 C8	G4-L6 PolarHBondContact O-N 3.03Å; L6-C8 PolarHBondContact O-N 2.88Å
7	T	36.1	Very low	37.8	Very low	98 Å²	98	122.5 Å²	122.5	60%	0.601	72%	0.715	S	S	*	*			trans	-53.8	124.9	-178.3	46.9	0	0	0	0	110.9	T5 K9 T10	T5-T7 VanDerWaalsContact C-N 3.35Å; T5-T7 PolarHBondContact O-N 3.49Å; T5-T7 VanDerWaalsContact O-N 3.12Å; T7-K9 PolarHBondContact O-N 3.13Å; T7-T10 PolarHBondContact O-N 3.45Å
8	C	42.3	Very low	38	Very low	91 Å²	91	121.6 Å²	121.6	62%	0.615	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.6	-11.5	-174.3	-147.5	0	0	0	0	116.5	L6 L12	L6-C8 PolarHBondContact O-N 2.88Å; C8-L12 PolarHBondContact O-N 3.23Å
9	K	39.1	Very low	38.2	Very low	168 Å²	168	119.5 Å²	119.5	73%	0.73	70%	0.696	S	S	*	*	H	α-helix	trans	-70.1	-34.4	-178.5	-72.1	-174.5	175.1	-176.4	0	114.1	T7 K11 L12 V13	T7-K9 PolarHBondContact O-N 3.13Å; K9-K11 VanDerWaalsContact C-N 3.32Å; K9-K11 PolarHBondContact O-N 2.84Å; K9-L12 PolarHBondContact O-N 3.47Å; K9-V13 PolarHBondContact O-N 3.07Å
10	T	39	Very low	38.2	Very low	95 Å²	95	120.1 Å²	120.1	58%	0.583	70%	0.696	S	S	*	*	H	α-helix	trans	-73.1	-26.7	-179.6	-31.9	0	0	0	0	112.3	T7 N14	T7-T10 PolarHBondContact O-N 3.45Å; T10-N14 PolarHBondContact O-N 3.38Å
11	K	39.7	Very low	38.5	Very low	170 Å²	170	121.6 Å²	121.6	74%	0.739	70%	0.702	S	S	*	*	H	α-helix	trans	-75.2	-33.9	171.8	-77.5	-174	175.6	-175.8	0	112.2	K9 N14 L15	K9-K11 VanDerWaalsContact C-N 3.32Å; K9-K11 PolarHBondContact O-N 2.84Å; K11-N14 PolarHBondContact O-N 2.79Å; K11-L15 WeakPolarHBondContact O-CB 3.49Å; K11-L15 PolarHBondContact O-N 3.25Å
12	L	41	Very low	39.1	Very low	74 Å²	74	118.4 Å²	118.4	39%	0.387	68%	0.684	S	S	.	*	H	α-helix	trans	-64.3	-41.2	174.8	-89.5	158.5	0	0	0	112.8	C8 K9 L15 L16	C8-L12 PolarHBondContact O-N 3.23Å; K9-L12 PolarHBondContact O-N 3.47Å; L12-L15 PolarHBondContact O-N 3.31Å; L12-L16 WeakPolarHBondContact O-CG 3.26Å; L12-L16 PolarHBondContact O-N 3.21Å; L12-L16 VanDerWaalsContact O-N 3.16Å
13	V	44.1	Very low	39.7	Very low	97 Å²	97	115.8 Å²	115.8	59%	0.588	66%	0.663	S	S	*	*	H	α-helix	trans	-68.8	-36.6	178.1	178	0	0	0	0	111.8	K9	K9-V13 PolarHBondContact O-N 3.07Å
14	N	36.3	Very low	40.3	Very low	116 Å²	116	115.8 Å²	115.8	62%	0.62	65%	0.648	S	S	*	*	H	α-helix	trans	-73.4	-31.5	175.1	-85	-16.4	0	0	0	113.2	T10 K11	T10-N14 PolarHBondContact O-N 3.38Å; K11-N14 PolarHBondContact O-N 2.79Å
15	L	38.3	Very low	41	Very low	96 Å²	96	117.8 Å²	117.8	50%	0.503	64%	0.641	S	S	.	*	H	α-helix	trans	-73	-31.2	178.4	-151.1	77.4	0	0	0	112.1	K11 L12 V17 T18 I19 L28	K11-L15 WeakPolarHBondContact O-CB 3.49Å; K11-L15 PolarHBondContact O-N 3.25Å; L12-L15 PolarHBondContact O-N 3.31Å; L15-V17 VanDerWaalsContact C-N 3.29Å; L15-V17 PolarHBondContact O-N 2.84Å; L15-T18 PolarHBondContact O-N 3.33Å; L15-I19 VanDerWaalsContact O-CG1 3.28Å; L15-I19 WeakPolarHBondContact O-CG1 3.02Å; L15-L28 HydrophobicContact CD2-CD2 4.35Å
16	L	43.1	Very low	41.5	Very low	132 Å²	132	119.4 Å²	119.4	69%	0.691	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	-12.9	177.6	-73.6	170.2	0	0	0	114.4	L12 I19	L12-L16 WeakPolarHBondContact O-CG 3.26Å; L12-L16 PolarHBondContact O-N 3.21Å; L12-L16 VanDerWaalsContact O-N 3.16Å; L16-I19 HydrophobicContact CD2-CD1 4.48Å
17	V	45.3	Very low	42	Very low	119 Å²	119	117.4 Å²	117.4	72%	0.721	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	-14	176.1	177.6	0	0	0	0	112.1	L15	L15-V17 VanDerWaalsContact C-N 3.29Å; L15-V17 PolarHBondContact O-N 2.84Å
18	T	41.5	Very low	42.6	Very low	107 Å²	107	116 Å²	116	66%	0.656	61%	0.614	S	S	*	*			trans	-135.7	52.2	-178.3	55.7	0	0	0	0	112.4	L15	L15-T18 PolarHBondContact O-N 3.33Å
19	I	41.3	Very low	42.7	Very low	81 Å²	81	114.3 Å²	114.3	42%	0.415	60%	0.603	S	S	.	*			trans	-97.5	85.9	159.4	-52	-175.7	0	0	0	106.8	L15 L16	L15-I19 VanDerWaalsContact O-CG1 3.28Å; L15-I19 WeakPolarHBondContact O-CG1 3.02Å; L16-I19 HydrophobicContact CD2-CD1 4.48Å
20	D	38.2	Very low	43	Very low	131 Å²	131	114.7 Å²	114.7	70%	0.701	61%	0.608	S	S	*	*			trans	-62.9	139.5	148.2	-161	-3.5	0	0	0	106.9	Q22	D20-Q22 PolarHBondContact O-N 3.41Å
21	N	45.5	Very low	43.3	Very low	153 Å²	153	115.4 Å²	115.4	82%	0.818	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	37.3	-163.4	-83.2	-38.5	0	0	0	115.1
22	Q	49.8	Very low	43.7	Very low	169 Å²	169	111.8 Å²	111.8	79%	0.79	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.1	14.8	-173.3	-71.8	-177.3	-6.2	0	0	115	D20 P24	D20-Q22 PolarHBondContact O-N 3.41Å; Q22-P24 WeakPolarHBondContact O-CD 3.47Å
23	T	45	Very low	43.9	Very low	75 Å²	75	111.4 Å²	111.4	46%	0.46	62%	0.617	S	S	.	*	S	Bend	trans	-83.2	120.1	170.9	-10.5	0	0	0	0	110.2	L25	T23-L25 PolarHBondContact O-N 3.2Å
24	P	43.9	Very low	44.1	Very low	84 Å²	84	110.1 Å²	110.1	55%	0.545	61%	0.609	S	S	.	*			trans	-66	134.5	-175.6	-18.7	31.3	0	0	0	112	Q22 E26 E27	Q22-P24 WeakPolarHBondContact O-CD 3.47Å; P24-E26 PolarHBondContact O-N 3.2Å; P24-E27 PolarHBondContact O-N 3.4Å
25	L	45.4	Very low	44.5	Very low	110 Å²	110	114 Å²	114	58%	0.576	62%	0.621	S	S	*	*	H	α-helix	trans	-59.4	-16	-173	-139.4	89.8	0	0	0	114.9	T23 L37	T23-L25 PolarHBondContact O-N 3.2Å; L25-L37 HydrophobicContact CD1-CD1 3.63Å; L25-L37 HydrophobicContact CD1-CG 4.45Å; L25-L37 HydrophobicContact CD2-CD1 4.06Å; L25-L37 HydrophobicContact CG-CD1 4.49Å
26	E	43.3	Very low	44.9	Very low	165 Å²	165	113.5 Å²	113.5	77%	0.771	62%	0.622	S	S	*	*	H	α-helix	trans	-70.9	-34.2	-179.4	-68.3	-147.5	148.8	0	0	113.1	P24 L28 S29	P24-E26 PolarHBondContact O-N 3.2Å; E26-L28 VanDerWaalsContact C-N 3.33Å; E26-L28 PolarHBondContact O-N 3.04Å; E26-S29 PolarHBondContact O-N 3.1Å; E26-S29 PolarHBondContact O-OG 2.9Å
27	E	44	Very low	44.9	Very low	134 Å²	134	112.6 Å²	112.6	63%	0.626	62%	0.617	S	S	*	*	H	α-helix	trans	-70.8	-28.5	-179	-70.4	-169.9	159.3	0	0	112.6	P24	P24-E27 PolarHBondContact O-N 3.4Å
28	L	48.2	Very low	44.9	Very low	69 Å²	69	110.9 Å²	110.9	36%	0.361	61%	0.61	S	S	.	*	H	α-helix	trans	-77.1	-27.7	178.5	-67.5	172.3	0	0	0	112.7	L15 E26 Q30 C31 L32	L15-L28 HydrophobicContact CD2-CD2 4.35Å; E26-L28 VanDerWaalsContact C-N 3.33Å; E26-L28 PolarHBondContact O-N 3.04Å; L28-Q30 VanDerWaalsContact C-N 3.34Å; L28-Q30 PolarHBondContact O-N 3.33Å; L28-C31 PolarHBondContact O-N 3.24Å; L28-L32 PolarHBondContact O-N 2.8Å
29	S	44.6	Very low	45	Very low	55 Å²	55	110.9 Å²	110.9	39%	0.385	61%	0.606	S	S	.	*	H	α-helix	trans	-66.9	-33.7	-179.5	81.2	0	0	0	0	112.9	E26 G33	E26-S29 PolarHBondContact O-N 3.1Å; E26-S29 PolarHBondContact O-OG 2.9Å; S29-G33 PolarHBondContact O-N 3.03Å
30	Q	46.2	Very low	45.3	Very low	177 Å²	177	113.3 Å²	113.3	83%	0.827	62%	0.619	S	S	*	*	H	α-helix	trans	-79.4	-24.4	-178.4	-90.7	169.4	-5.3	0	0	113.8	L28	L28-Q30 VanDerWaalsContact C-N 3.34Å; L28-Q30 PolarHBondContact O-N 3.33Å
31	C	45	Very low	45.8	Very low	109 Å²	109	113.9 Å²	113.9	74%	0.736	62%	0.62	S	S	*	*	H	α-helix	trans	-88	-30.1	179.6	-74.8	0	0	0	0	114.1	L28	L28-C31 PolarHBondContact O-N 3.24Å
32	L	48.7	Very low	45.6	Very low	95 Å²	95	115.3 Å²	115.3	50%	0.497	62%	0.622	S	S	.	*	H	α-helix	trans	-119.9	-7.6	-169.6	-64.8	172.3	0	0	0	114.1	L28 V34	L28-L32 PolarHBondContact O-N 2.8Å; L32-V34 HydrophobicContact CB-CG2 3.65Å; L32-V34 PolarHBondContact O-N 3.23Å
33	G	43.7	Very low	45.2	Very low	65 Å²	65	113.9 Å²	113.9	67%	0.67	63%	0.625	S	S	*	*			trans	68.5	15.3	174.3	0	0	0	0	0	115.1	S29	S29-G33 PolarHBondContact O-N 3.03Å
34	V	49	Very low	44.9	Very low	70 Å²	70	115.9 Å²	115.9	42%	0.424	64%	0.639	S	S	.	*			trans	-100.3	133.7	178.8	-110.9	0	0	0	0	109.8	L32 D39	L32-V34 HydrophobicContact CB-CG2 3.65Å; L32-V34 PolarHBondContact O-N 3.23Å; V34-D39 HydrophobicContact CG1-CB 4.2Å
35	K	44.4	Very low	44.8	Very low	199 Å²	199	123 Å²	123	87%	0.865	66%	0.655	S	S	*	*			trans	-102	-13.3	-169.6	-69.4	-176	179.8	-179.8	0	114.7
36	T	46.5	Very low	44.6	Very low	85 Å²	85	125.6 Å²	125.6	52%	0.521	66%	0.664	S	S	.	*			trans	-148.8	146.1	178.5	43.4	0	0	0	0	112.8	S38 D39	T36-S38 PolarHBondContact O-N 3.32Å; T36-S38 PolarHBondContact OG1-OG 3.3Å; T36-S38 VanDerWaalsContact OG1-OG 3.13Å; T36-D39 PolarHBondContact O-N 2.98Å
37	L	44.3	Very low	44.5	Very low	112 Å²	112	126.8 Å²	126.8	59%	0.586	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-62.3	-8.1	-179.2	-107.7	151.1	0	0	0	114.9	L25 D39 I40	L25-L37 HydrophobicContact CD1-CD1 3.63Å; L25-L37 HydrophobicContact CD1-CG 4.45Å; L25-L37 HydrophobicContact CD2-CD1 4.06Å; L25-L37 HydrophobicContact CG-CD1 4.49Å; L37-D39 VanDerWaalsContact C-N 3.29Å; L37-D39 PolarHBondContact O-N 3.46Å; L37-I40 HydrophobicContact CD2-CD1 4.47Å
38	S	44	Very low	44.5	Very low	83 Å²	83	124.1 Å²	124.1	58%	0.58	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-71.3	-18	178.2	49.4	0	0	0	0	114.2	T36 I40	T36-S38 PolarHBondContact O-N 3.32Å; T36-S38 PolarHBondContact OG1-OG 3.3Å; T36-S38 VanDerWaalsContact OG1-OG 3.13Å; S38-I40 VanDerWaalsContact C-N 3.32Å; S38-I40 PolarHBondContact O-N 3.48Å
39	D	43.3	Very low	44.6	Very low	107 Å²	107	129.8 Å²	129.8	57%	0.572	69%	0.692	S	S	*	*	G	3₁₀ helix	trans	-87.2	-0.2	-175.1	-59.4	-20.3	0	0	0	113.4	V34 T36 L37	V34-D39 HydrophobicContact CG1-CB 4.2Å; T36-D39 PolarHBondContact O-N 2.98Å; L37-D39 VanDerWaalsContact C-N 3.29Å; L37-D39 PolarHBondContact O-N 3.46Å
40	I	49.1	Very low	45.1	Very low	133 Å²	133	133 Å²	133	68%	0.682	71%	0.705	S	S	*	*	G	3₁₀ helix	trans	-94	-13.9	-176.9	-64.9	176.6	0	0	0	112.4	L37 S38	L37-I40 HydrophobicContact CD2-CD1 4.47Å; S38-I40 VanDerWaalsContact C-N 3.32Å; S38-I40 PolarHBondContact O-N 3.48Å
41	I	47.8	Very low	45.8	Very low	142 Å²	142	127.5 Å²	127.5	73%	0.728	68%	0.684	S	S	*	*			trans	-110.2	82.7	-173.2	-51.9	176	0	0	0	109.3
42	E	41.9	Very low	47	Very low	184 Å²	184	125.6 Å²	125.6	86%	0.86	66%	0.663	S	S	*	*			trans	-175.9	80.1	148.4	-104.4	176.3	-148.5	0	0	109.8
43	V	40.8	Very low	47.9	Very low	139 Å²	139	128.1 Å²	128.1	84%	0.842	67%	0.672	S	S	*	*			trans	-131.8	115.8	153.4	-174.2	0	0	0	0	107.9
44	P	37.9	Very low	48.9	Very low	116 Å²	116	125.5 Å²	125.5	75%	0.753	64%	0.644	S	S	*	*			trans	-59	135.1	177.6	-21.3	32	0	0	0	111.5	E46	P44-E46 PolarHBondContact O-N 3.19Å
45	W	43.1	Very low	50	Low	233 Å²	233	127 Å²	127	88%	0.883	65%	0.654	S	S	*	*			trans	-76.5	6.7	-174.6	126.6	-82.3	0	0	0	114.7
46	E	41.7	Very low	50.8	Low	165 Å²	165	122.5 Å²	122.5	77%	0.771	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	124.2	-175.5	-57.9	-155.6	164.6	0	0	111.6	P44	P44-E46 PolarHBondContact O-N 3.19Å
47	E	40.4	Very low	51.7	Low	190 Å²	190	120.3 Å²	120.3	89%	0.888	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	95.3	25.7	172.2	-51.1	-168.3	159.4	0	0	120	K49	E47-K49 VanDerWaalsContact C-N 3.27Å; E47-K49 PolarHBondContact O-N 3.43Å; E47-K49 VanDerWaalsContact O-N 3.14Å
48	A	44.8	Very low	52.9	Low	78 Å²	78	123.1 Å²	123.1	65%	0.645	64%	0.643	S	S	*	*			trans	-86	65.5	159.8	0	0	0	0	0	111.3	N50	A48-N50 PolarHBondContact O-N 2.74Å
49	K	50.1	Low	53.3	Low	188 Å²	188	124.4 Å²	124.4	82%	0.817	64%	0.64	S	S	*	*			trans	-70.1	87	163.5	-151.9	176.1	-169.2	176.4	0	106.3	E47 V51	E47-K49 VanDerWaalsContact C-N 3.27Å; E47-K49 PolarHBondContact O-N 3.43Å; E47-K49 VanDerWaalsContact O-N 3.14Å; K49-V51 VanDerWaalsContact C-N 3.3Å; K49-V51 HydrophobicContact CB-CG2 4.5Å; K49-V51 HydrophobicContact CG-CG2 4.26Å; K49-V51 WeakPolarHBondContact O-CG2 3.4Å; K49-V51 PolarHBondContact O-N 3.29Å
50	N	53.9	Low	54.5	Low	124 Å²	124	122.4 Å²	122.4	66%	0.663	63%	0.634	S	S	*	*			trans	-66.6	92.7	178.5	-97	-36.3	0	0	0	108.6	A48	A48-N50 PolarHBondContact O-N 2.74Å
51	V	60.6	Low	55.1	Low	61 Å²	61	117.9 Å²	117.9	37%	0.37	61%	0.61	S	S	.	*			trans	-96.7	117.1	173.4	-163.9	0	0	0	0	107.9	K49 Q53 S60 F61	K49-V51 VanDerWaalsContact C-N 3.3Å; K49-V51 HydrophobicContact CB-CG2 4.5Å; K49-V51 HydrophobicContact CG-CG2 4.26Å; K49-V51 WeakPolarHBondContact O-CG2 3.4Å; K49-V51 PolarHBondContact O-N 3.29Å; V51-Q53 PolarHBondContact O-N 2.98Å; V51-S60 WeakPolarHBondContact CG1-OG 3.4Å; V51-F61 CarbonylContact C-O 3.28Å; V51-F61 WeakPolarHBondContact CA-O 3.38Å; V51-F61 WeakPolarHBondContact CG1-O 3.41Å
52	F	70.4	Confident	55.7	Low	68 Å²	68	116 Å²	116	30%	0.298	61%	0.609	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-78.4	102.9	178	-64.4	-84.8	0	0	0	108.9	F61 N64 L67	F52-F61 HydrophobicContact CB-CB 4.41Å; F52-F61 PolarHBondContact N-O 3.09Å; F52-F61 WeakPolarHBondContact O-CD2 3.48Å; F52-F61 PolarHBondContact O-N 3.49Å; F52-N64 HydrophobicContact CD1-CB 3.79Å; F52-N64 HydrophobicContact CD2-CB 4.32Å; F52-N64 HydrophobicContact CE1-CB 3.63Å; F52-N64 HydrophobicContact CE2-CB 4.16Å; F52-N64 VanDerWaalsContact CE2-N 3.3Å; F52-N64 HydrophobicContact CG-CB 4.13Å; F52-N64 HydrophobicContact CZ-CB 3.81Å; F52-L67 HydrophobicContact CB-CB 3.87Å; F52-L67 HydrophobicContact CB-CD2 3.7Å; F52-L67 HydrophobicContact CB-CG 4.32Å
53	Q	68.8	Low	56.4	Low	149 Å²	149	110.4 Å²	110.4	70%	0.696	59%	0.585	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-84.3	140.6	-179.9	-67.8	-179.3	-11.8	0	0	111.4	V51	V51-Q53 PolarHBondContact O-N 2.98Å
54	C	64.3	Low	57.5	Low	10 Å²	10	107.5 Å²	107.5	7%	0.068	57%	0.565	C	S	.	*			trans	-75.4	131.9	172.9	-175.7	0	0	0	0	110.7	D56 C57 Q59 F61 L67 H70 H74	C54-D56 PolarHBondContact O-N 2.77Å; C54-D56 PolarHBondContact SG-N 3.1Å; C54-D56 VanDerWaalsContact SG-N 3.44Å; C54-C57 WeakPolarHBondContact CB-O 3.43Å; C54-Q59 PolarHBondContact N-O 3.46Å; C54-F61 HydrophobicContact CB-CE2 4.48Å; C54-L67 HydrophobicContact CB-CD1 3.88Å; C54-H70 PolarHBondContact SG-CD2 3.41Å; C54-H70 PolarHBondContact SG-NE2 3.41Å; C54-H70 VanDerWaalsContact SG-NE2 3.35Å; C54-H74 PolarHBondContact SG-CD2 3.27Å; C54-H74 PolarHBondContact SG-NE2 3.44Å
55	P	72	Confident	58.4	Low	100 Å²	100	106 Å²	106	65%	0.649	55%	0.554	S	S	*	*	S	Bend	trans	-72.9	-18.9	176.4	29	-34.4	0	0	0	113.1
56	D	60.2	Low	58.8	Low	105 Å²	105	101.7 Å²	101.7	56%	0.561	54%	0.538	S	S	*	.	S	Bend	trans	-101.9	-6.1	-174.3	-55	-59.6	0	0	0	113	C54 H74	C54-D56 PolarHBondContact O-N 2.77Å; C54-D56 PolarHBondContact SG-N 3.1Å; C54-D56 VanDerWaalsContact SG-N 3.44Å; D56-H74 HydrophobicContact CB-CB 4.08Å; D56-H74 IonicContact OD2-CD2 2.71Å; D56-H74 IonicContact OD2-CG 2.77Å
57	C	66.8	Low	59.5	Low	39 Å²	39	94.4 Å²	94.4	26%	0.264	51%	0.505	S	S	.	.	S	Bend	trans	-164.2	168.4	172.8	73.7	0	0	0	0	112.9	C54 Q59 H70 H74	C54-C57 WeakPolarHBondContact CB-O 3.43Å; C57-Q59 PolarHBondContact O-N 3.45Å; C57-H70 VanDerWaalsContact SG-CE1 3.51Å; C57-H70 PolarHBondContact SG-NE2 2.92Å; C57-H74 PolarHBondContact SG-NE2 3.22Å; C57-H74 VanDerWaalsContact SG-NE2 3.37Å
58	D	68.6	Low	60.3	Low	171 Å²	171	88.4 Å²	88.4	91%	0.914	48%	0.481	S	S	*	.	S	Bend	trans	-75.9	17.2	-175.5	-53.8	-42	0	0	0	115.1
59	Q	53.8	Low	60.6	Low	111 Å²	111	89.6 Å²	89.6	52%	0.519	48%	0.476	S	S	.	.			trans	-83.5	141.7	178.2	-69.5	-68.9	-39.6	0	0	111.5	C54 C57 F61	C54-Q59 PolarHBondContact N-O 3.46Å; C57-Q59 PolarHBondContact O-N 3.45Å; Q59-F61 HydrophobicContact CB-CE2 3.86Å; Q59-F61 HydrophobicContact CB-CZ 3.82Å
60	S	68.1	Low	61	Low	64 Å²	64	82 Å²	82	45%	0.448	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	135.9	-173.4	78	0	0	0	0	110.1	V51	V51-S60 WeakPolarHBondContact CG1-OG 3.4Å
61	F	61.1	Low	60.9	Low	38 Å²	38	79 Å²	79	17%	0.167	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	144.4	-168.8	-58.9	-83.9	0	0	0	111.1	V51 F52 C54 Q59 D63 L67 H70	V51-F61 CarbonylContact C-O 3.28Å; V51-F61 WeakPolarHBondContact CA-O 3.38Å; V51-F61 WeakPolarHBondContact CG1-O 3.41Å; F52-F61 HydrophobicContact CB-CB 4.41Å; F52-F61 PolarHBondContact N-O 3.09Å; F52-F61 WeakPolarHBondContact O-CD2 3.48Å; F52-F61 PolarHBondContact O-N 3.49Å; C54-F61 HydrophobicContact CB-CE2 4.48Å; Q59-F61 HydrophobicContact CB-CE2 3.86Å; Q59-F61 HydrophobicContact CB-CZ 3.82Å; F61-D63 PolarHBondContact O-N 3.1Å; F61-L67 HydrophobicContact CB-CB 4.32Å; F61-L67 HydrophobicContact CD2-CB 3.9Å; F61-L67 HydrophobicContact CD2-CD1 3.86Å; F61-L67 HydrophobicContact CE2-CD1 4.13Å; F61-L67 HydrophobicContact CG-CB 4.32Å; F61-H70 HydrophobicContact CE1-CB 3.97Å; F61-H70 HydrophobicContact CE2-CB 3.69Å; F61-H70 AromaticContact CE2-CD2 3.52Å; F61-H70 AromaticContact CE2-CG 3.48Å; F61-H70 VanDerWaalsContact CE2-CG 3.48Å; F61-H70 HydrophobicContact CZ-CB 3.36Å; F61-H70 AromaticContact CZ-CD2 3.7Å; F61-H70 AromaticContact CZ-CG 3.19Å; F61-H70 AromaticContact CZ-ND1 3.45Å; F61-H70 WeakPolarHBondContact CZ-ND1 3.5Å
62	S	60.3	Low	60.4	Low	103 Å²	103	82.8 Å²	82.8	72%	0.72	44%	0.437	S	S	*	.	S	Bend	trans	-73.9	-12.7	176.8	56	0	0	0	0	113.7
63	D	57.9	Low	59.5	Low	66 Å²	66	85.4 Å²	85.4	35%	0.353	45%	0.453	S	S	.	.	S	Bend	trans	-145.1	143.1	179.6	-178.2	-2.8	0	0	0	110	F61 T65 Y66 L67	F61-D63 PolarHBondContact O-N 3.1Å; D63-T65 PolarHBondContact O-N 3.12Å; D63-T65 PolarHBondContact OD1-N 3.06Å; D63-T65 PolarHBondContact OD1-OG1 3.21Å; D63-T65 PolarHBondContact OD2-OG1 3.37Å; D63-Y66 HydrophobicContact CB-CD2 4.03Å; D63-Y66 PolarHBondContact O-N 3.36Å; D63-L67 PolarHBondContact O-N 2.98Å
64	N	63.4	Low	58.6	Low	78 Å²	78	81.4 Å²	81.4	42%	0.417	43%	0.434	S	S	.	.	H	α-helix	trans	-58.7	-32.5	175.2	-168.6	36.5	0	0	0	112.1	F52 Y66 L67 V68	F52-N64 HydrophobicContact CD1-CB 3.79Å; F52-N64 HydrophobicContact CD2-CB 4.32Å; F52-N64 HydrophobicContact CE1-CB 3.63Å; F52-N64 HydrophobicContact CE2-CB 4.16Å; F52-N64 VanDerWaalsContact CE2-N 3.3Å; F52-N64 HydrophobicContact CG-CB 4.13Å; F52-N64 HydrophobicContact CZ-CB 3.81Å; N64-Y66 VanDerWaalsContact C-N 3.32Å; N64-Y66 PolarHBondContact O-N 2.91Å; N64-L67 PolarHBondContact O-N 2.78Å; N64-V68 VanDerWaalsContact O-CG2 3.32Å; N64-V68 WeakPolarHBondContact O-CG2 3.48Å; N64-V68 PolarHBondContact O-N 3.1Å
65	T	56.8	Low	58	Low	85 Å²	85	83.8 Å²	83.8	52%	0.521	45%	0.451	S	S	.	.	H	α-helix	trans	-59.6	-42.7	177.1	59	0	0	0	0	112.1	D63 L69	D63-T65 PolarHBondContact O-N 3.12Å; D63-T65 PolarHBondContact OD1-N 3.06Å; D63-T65 PolarHBondContact OD1-OG1 3.21Å; D63-T65 PolarHBondContact OD2-OG1 3.37Å; T65-L69 PolarHBondContact O-N 3.49Å; T65-L69 VanDerWaalsContact O-N 3.08Å
66	Y	50.3	Low	57	Low	142 Å²	142	89.6 Å²	89.6	56%	0.557	46%	0.46	S	S	*	.	H	α-helix	trans	-71.4	-36.7	175.7	-69.8	-65.9	0	0	0	112.2	D63 N64 L69 H70	D63-Y66 HydrophobicContact CB-CD2 4.03Å; D63-Y66 PolarHBondContact O-N 3.36Å; N64-Y66 VanDerWaalsContact C-N 3.32Å; N64-Y66 PolarHBondContact O-N 2.91Å; Y66-L69 PolarHBondContact O-N 2.75Å; Y66-H70 VanDerWaalsContact O-CB 3.29Å; Y66-H70 WeakPolarHBondContact O-CB 3.49Å; Y66-H70 PolarHBondContact O-N 2.83Å
67	L	56.7	Low	56.6	Low	13 Å²	13	89.9 Å²	89.9	7%	0.068	46%	0.458	C	S	.	.	H	α-helix	trans	-59.3	-47.8	172	172.2	63.7	0	0	0	111.3	F52 C54 F61 D63 N64 L69 H70 Q71	F52-L67 HydrophobicContact CB-CB 3.87Å; F52-L67 HydrophobicContact CB-CD2 3.7Å; F52-L67 HydrophobicContact CB-CG 4.32Å; C54-L67 HydrophobicContact CB-CD1 3.88Å; F61-L67 HydrophobicContact CB-CB 4.32Å; F61-L67 HydrophobicContact CD2-CB 3.9Å; F61-L67 HydrophobicContact CD2-CD1 3.86Å; F61-L67 HydrophobicContact CE2-CD1 4.13Å; F61-L67 HydrophobicContact CG-CB 4.32Å; D63-L67 PolarHBondContact O-N 2.98Å; N64-L67 PolarHBondContact O-N 2.78Å; L67-L69 VanDerWaalsContact C-N 3.31Å; L67-L69 PolarHBondContact O-N 3.19Å; L67-H70 WeakPolarHBondContact O-CB 3.33Å; L67-H70 PolarHBondContact O-N 3.41Å; L67-H70 VanDerWaalsContact O-N 3.17Å; L67-Q71 HydrophobicContact CD1-CG 4.06Å; L67-Q71 HydrophobicContact CG-CG 4.41Å; L67-Q71 WeakPolarHBondContact O-CG 3.42Å; L67-Q71 PolarHBondContact O-N 3.26Å
68	V	57.1	Low	56.1	Low	63 Å²	63	94.1 Å²	94.1	38%	0.382	47%	0.468	S	S	.	.	H	α-helix	trans	-63.7	-37.3	179.2	170.7	0	0	0	0	111.3	N64 K72	N64-V68 VanDerWaalsContact O-CG2 3.32Å; N64-V68 WeakPolarHBondContact O-CG2 3.48Å; N64-V68 PolarHBondContact O-N 3.1Å; V68-K72 PolarHBondContact O-N 3.46Å
69	L	52.4	Low	55.9	Low	104 Å²	104	92.7 Å²	92.7	55%	0.545	45%	0.454	S	S	.	.	H	α-helix	trans	-66.5	-42.5	173.7	-176.1	63.7	0	0	0	111.5	T65 Y66 L67 K72	T65-L69 PolarHBondContact O-N 3.49Å; T65-L69 VanDerWaalsContact O-N 3.08Å; Y66-L69 PolarHBondContact O-N 2.75Å; L67-L69 VanDerWaalsContact C-N 3.31Å; L67-L69 PolarHBondContact O-N 3.19Å; L69-K72 HydrophobicContact CD1-CD 4.46Å; L69-K72 WeakPolarHBondContact O-CB 3.34Å; L69-K72 PolarHBondContact O-N 3.37Å
70	H	57.8	Low	56.7	Low	27 Å²	27	91.8 Å²	91.8	13%	0.125	45%	0.446	C	S	.	.	H	α-helix	trans	-64.8	-40.4	177.3	169.8	82.7	0	0	0	112.3	C54 C57 F61 Y66 L67 K72 I73 H74	C54-H70 PolarHBondContact SG-CD2 3.41Å; C54-H70 PolarHBondContact SG-NE2 3.41Å; C54-H70 VanDerWaalsContact SG-NE2 3.35Å; C57-H70 VanDerWaalsContact SG-CE1 3.51Å; C57-H70 PolarHBondContact SG-NE2 2.92Å; F61-H70 HydrophobicContact CE1-CB 3.97Å; F61-H70 HydrophobicContact CE2-CB 3.69Å; F61-H70 AromaticContact CE2-CD2 3.52Å; F61-H70 AromaticContact CE2-CG 3.48Å; F61-H70 VanDerWaalsContact CE2-CG 3.48Å; F61-H70 HydrophobicContact CZ-CB 3.36Å; F61-H70 AromaticContact CZ-CD2 3.7Å; F61-H70 AromaticContact CZ-CG 3.19Å; F61-H70 AromaticContact CZ-ND1 3.45Å; F61-H70 WeakPolarHBondContact CZ-ND1 3.5Å; Y66-H70 VanDerWaalsContact O-CB 3.29Å; Y66-H70 WeakPolarHBondContact O-CB 3.49Å; Y66-H70 PolarHBondContact O-N 2.83Å; L67-H70 WeakPolarHBondContact O-CB 3.33Å; L67-H70 PolarHBondContact O-N 3.41Å; L67-H70 VanDerWaalsContact O-N 3.17Å; H70-K72 PolarHBondContact O-N 3.5Å; H70-K72 VanDerWaalsContact O-N 3.17Å; H70-I73 WeakPolarHBondContact O-CA 3.45Å; H70-I73 WeakPolarHBondContact O-CB 3.37Å; H70-I73 VanDerWaalsContact O-CG1 3.3Å; H70-I73 WeakPolarHBondContact O-CG1 3.34Å; H70-I73 PolarHBondContact O-N 2.82Å; H70-H74 AromaticContact CD2-NE2 3.84Å; H70-H74 AromaticContact CE1-NE2 3.68Å; H70-H74 AromaticContact NE2-CD2 3.66Å; H70-H74 AromaticContact NE2-NE2 3.02Å; H70-H74 PolarHBondContact NE2-NE2 3.03Å
71	Q	51.9	Low	57	Low	63 Å²	63	96.2 Å²	96.2	29%	0.294	46%	0.457	S	S	.	.	H	α-helix	trans	-60	-26.5	176.2	-76.9	173.7	-26.1	0	0	113.1	L67 I73 H74 S75	L67-Q71 HydrophobicContact CD1-CG 4.06Å; L67-Q71 HydrophobicContact CG-CG 4.41Å; L67-Q71 WeakPolarHBondContact O-CG 3.42Å; L67-Q71 PolarHBondContact O-N 3.26Å; Q71-I73 PolarHBondContact O-N 3.12Å; Q71-H74 PolarHBondContact O-N 2.9Å; Q71-H74 VanDerWaalsContact O-N 3.13Å; Q71-S75 PolarHBondContact O-N 2.88Å; Q71-S75 VanDerWaalsContact O-N 3.1Å
72	K	50.6	Low	57.7	Low	139 Å²	139	94.9 Å²	94.9	60%	0.604	45%	0.453	S	S	*	.	H	α-helix	trans	-65.4	-19.6	172.7	-65.7	173.6	-176	176.6	0	113.1	V68 L69 H70	V68-K72 PolarHBondContact O-N 3.46Å; L69-K72 HydrophobicContact CD1-CD 4.46Å; L69-K72 WeakPolarHBondContact O-CB 3.34Å; L69-K72 PolarHBondContact O-N 3.37Å; H70-K72 PolarHBondContact O-N 3.5Å; H70-K72 VanDerWaalsContact O-N 3.17Å
73	I	50.4	Low	58.6	Low	124 Å²	124	94.1 Å²	94.1	64%	0.636	46%	0.461	S	S	*	.	H	α-helix	trans	-70.8	-41.3	173.5	-55	172.1	0	0	0	109.8	H70 Q71	H70-I73 WeakPolarHBondContact O-CA 3.45Å; H70-I73 WeakPolarHBondContact O-CB 3.37Å; H70-I73 VanDerWaalsContact O-CG1 3.3Å; H70-I73 WeakPolarHBondContact O-CG1 3.34Å; H70-I73 PolarHBondContact O-N 2.82Å; Q71-I73 PolarHBondContact O-N 3.12Å
74	H	51.1	Low	59.5	Low	64 Å²	64	95.7 Å²	95.7	30%	0.296	47%	0.473	S	S	.	.	H	α-helix	trans	-71.1	-33	177.5	-65.3	-58.9	0	0	0	113.1	C54 D56 C57 H70 Q71 R76	C54-H74 PolarHBondContact SG-CD2 3.27Å; C54-H74 PolarHBondContact SG-NE2 3.44Å; D56-H74 HydrophobicContact CB-CB 4.08Å; D56-H74 IonicContact OD2-CD2 2.71Å; D56-H74 IonicContact OD2-CG 2.77Å; C57-H74 PolarHBondContact SG-NE2 3.22Å; C57-H74 VanDerWaalsContact SG-NE2 3.37Å; H70-H74 AromaticContact CD2-NE2 3.84Å; H70-H74 AromaticContact CE1-NE2 3.68Å; H70-H74 AromaticContact NE2-CD2 3.66Å; H70-H74 AromaticContact NE2-NE2 3.02Å; H70-H74 PolarHBondContact NE2-NE2 3.03Å; Q71-H74 PolarHBondContact O-N 2.9Å; Q71-H74 VanDerWaalsContact O-N 3.13Å; H74-R76 PolarHBondContact O-N 3.27Å
75	S	51.6	Low	60.1	Low	61 Å²	61	93.8 Å²	93.8	43%	0.427	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-13.9	179.9	176.9	0	0	0	0	114.3	Q71 E77	Q71-S75 PolarHBondContact O-N 2.88Å; Q71-S75 VanDerWaalsContact O-N 3.1Å; S75-E77 PolarHBondContact O-N 3.11Å; S75-E77 VanDerWaalsContact OG-CG 3.31Å; S75-E77 WeakPolarHBondContact OG-CG 3.36Å
76	R	50.1	Low	61	Low	222 Å²	222	99 Å²	99	84%	0.838	48%	0.484	S	S	*	.			trans	47.4	20.8	-179.2	-74	-171.2	-177.1	-153.2	2.5	113.7	H74 R78	H74-R76 PolarHBondContact O-N 3.27Å; R76-R78 PolarHBondContact O-N 3.45Å
77	E	51.4	Low	61.7	Low	111 Å²	111	95 Å²	95	52%	0.519	47%	0.47	S	S	.	.			trans	-73.2	72.4	175.8	-79.7	-174.1	177	0	0	109	S75 K79	S75-E77 PolarHBondContact O-N 3.11Å; S75-E77 VanDerWaalsContact OG-CG 3.31Å; S75-E77 WeakPolarHBondContact OG-CG 3.36Å; E77-K79 HydrophobicContact CB-CG 4.25Å; E77-K79 PolarHBondContact O-N 2.99Å; E77-K79 WeakPolarHBondContact OE2-CE 3.43Å; E77-K79 IonicContact OE2-NZ 3.06Å; E77-K79 PolarHBondContact OE2-NZ 2.6Å
78	R	56.1	Low	62.3	Low	128 Å²	128	96.2 Å²	96.2	48%	0.483	48%	0.478	S	S	.	.			trans	-78.7	71.9	172.3	-59.9	176.1	90.7	115.2	0.3	107.7	R76 Y80 T88 F89	R76-R78 PolarHBondContact O-N 3.45Å; R78-Y80 PolarHBondContact O-N 3Å; R78-T88 VanDerWaalsContact CB-OG1 3.28Å; R78-T88 WeakPolarHBondContact CB-OG1 3.24Å; R78-T88 WeakPolarHBondContact CD-OG1 3.46Å; R78-T88 PolarHBondContact NE-O 3.35Å; R78-T88 PolarHBondContact NE-OG1 3.1Å; R78-T88 PolarHBondContact NH2-O 2.82Å; R78-T88 VanDerWaalsContact NH2-O 3.12Å; R78-F89 CarbonylContact C-O 3.55Å; R78-F89 WeakPolarHBondContact CA-O 3.16Å
79	K	65.4	Low	62.9	Low	140 Å²	140	93.7 Å²	93.7	61%	0.609	46%	0.461	S	S	*	.			trans	-63.5	-26.6	-173.4	-62.4	-176.5	-173.8	-177.4	0	112.8	E77 K81 F89	E77-K79 HydrophobicContact CB-CG 4.25Å; E77-K79 PolarHBondContact O-N 2.99Å; E77-K79 WeakPolarHBondContact OE2-CE 3.43Å; E77-K79 IonicContact OE2-NZ 3.06Å; E77-K79 PolarHBondContact OE2-NZ 2.6Å; K79-K81 PolarHBondContact O-N 3.1Å; K79-F89 PolarHBondContact N-O 3.13Å
80	Y	69.8	Low	63.5	Low	93 Å²	93	91.6 Å²	91.6	37%	0.365	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	96.8	-170.9	-55.6	-72.8	0	0	0	110.8	R78 T88 F89 S90 H91 R92	R78-Y80 PolarHBondContact O-N 3Å; Y80-T88 CarbonylContact O-C 3.55Å; Y80-T88 WeakPolarHBondContact O-CA 3.48Å; Y80-F89 WeakPolarHBondContact CB-O 3.36Å; Y80-F89 WeakPolarHBondContact CD2-O 3.36Å; Y80-F89 PolarHBondContact N-O 3.13Å; Y80-F89 VanDerWaalsContact N-O 3.12Å; Y80-F89 PolarHBondContact O-N 3.2Å; Y80-S90 WeakPolarHBondContact CD2-O 3.45Å; Y80-S90 WeakPolarHBondContact CE2-O 3.44Å; Y80-H91 VanDerWaalsContact CD2-C 3.45Å; Y80-R92 HydrophobicContact CD1-CB 4.1Å; Y80-R92 HydrophobicContact CD1-CG 4.48Å; Y80-R92 HydrophobicContact CE1-CB 3.94Å; Y80-R92 HydrophobicContact CE1-CG 4.46Å; Y80-R92 HydrophobicContact CE2-CB 4.4Å; Y80-R92 HydrophobicContact CG-CB 4.41Å
81	K	74.4	Confident	64	Low	156 Å²	156	95.5 Å²	95.5	68%	0.678	47%	0.474	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	142.4	176.3	-52.1	-163	176.2	-178.1	0	111	K79 T88 L95	K79-K81 PolarHBondContact O-N 3.1Å; K81-T88 HydrophobicContact CB-CG2 4.28Å; K81-T88 HydrophobicContact CD-CG2 4.21Å; K81-T88 HydrophobicContact CG-CG2 3.74Å; K81-L95 WeakPolarHBondContact O-CD2 3.31Å
82	C	76.9	Confident	65	Low	10 Å²	10	101.6 Å²	101.6	7%	0.068	49%	0.494	C	S	.	.			trans	-73.4	135	167.6	-173.1	0	0	0	0	109.8	T84 C85 K87 F89 L95 H98 H102	C82-T84 VanDerWaalsContact C-N 3.26Å; C82-C85 CarbonylContact C-O 3.57Å; C82-C85 WeakPolarHBondContact CB-O 3.33Å; C82-C85 VanDerWaalsContact SG-SG 3.68Å; C82-K87 WeakPolarHBondContact CB-O 3.37Å; C82-K87 PolarHBondContact N-O 3.1Å; C82-F89 HydrophobicContact CB-CE2 4.44Å; C82-L95 HydrophobicContact CB-CD1 3.8Å; C82-H98 PolarHBondContact SG-NE2 3.39Å; C82-H102 PolarHBondContact SG-NE2 3.38Å
83	G	78.3	Confident	66.1	Low	87 Å²	87	99.4 Å²	99.4	90%	0.897	49%	0.492	S	S	*	.	S	Bend	trans	-77.1	-14.2	177	0	0	0	0	0	113.5
84	T	76.4	Confident	67.2	Low	99 Å²	99	97 Å²	97	61%	0.607	48%	0.481	S	S	*	.	S	Bend	trans	-104.8	-20.5	-175.4	-47.4	0	0	0	0	112.4	C82 H102	C82-T84 VanDerWaalsContact C-N 3.26Å; T84-H102 HydrophobicContact CG2-CB 4.2Å
85	C	76.7	Confident	68.4	Low	38 Å²	38	95 Å²	95	26%	0.257	47%	0.473	S	S	.	.	S	Bend	trans	-148.3	168	176.8	71.2	0	0	0	0	110.8	C82 K87 H98 H102	C82-C85 CarbonylContact C-O 3.57Å; C82-C85 WeakPolarHBondContact CB-O 3.33Å; C82-C85 VanDerWaalsContact SG-SG 3.68Å; C85-K87 PolarHBondContact O-N 2.98Å; C85-H98 PolarHBondContact SG-NE2 2.91Å; C85-H102 PolarHBondContact SG-NE2 2.89Å
86	E	75	Confident	69.7	Low	194 Å²	194	98.8 Å²	98.8	91%	0.907	48%	0.481	S	S	*	.	S	Bend	trans	-75.8	7.1	-174.1	-62	-177.4	169.4	0	0	114.6
87	K	66.6	Low	71	Confident	59 Å²	59	90 Å²	90	26%	0.257	45%	0.452	S	S	.	.			trans	-73.6	138.2	-176.7	-69.1	-171.9	177.5	-174.7	0	111.6	C82 C85 F89 D221	C82-K87 WeakPolarHBondContact CB-O 3.37Å; C82-K87 PolarHBondContact N-O 3.1Å; C85-K87 PolarHBondContact O-N 2.98Å; K87-F89 HydrophobicContact CB-CE2 3.83Å; K87-F89 HydrophobicContact CB-CZ 3.9Å; K87-D221 IonicContact NZ-OD1 3.95Å; K87-D221 PolarHBondContact NZ-OD1 2.99Å; K87-D221 IonicContact NZ-OD2 2.72Å; K87-D221 PolarHBondContact NZ-OD2 3.17Å
88	T	68.1	Low	72.4	Confident	39 Å²	39	85.2 Å²	85.2	24%	0.239	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	144.3	-179.7	63.5	0	0	0	0	110.6	R78 Y80 K81	R78-T88 VanDerWaalsContact CB-OG1 3.28Å; R78-T88 WeakPolarHBondContact CB-OG1 3.24Å; R78-T88 WeakPolarHBondContact CD-OG1 3.46Å; R78-T88 PolarHBondContact NE-O 3.35Å; R78-T88 PolarHBondContact NE-OG1 3.1Å; R78-T88 PolarHBondContact NH2-O 2.82Å; R78-T88 VanDerWaalsContact NH2-O 3.12Å; Y80-T88 CarbonylContact O-C 3.55Å; Y80-T88 WeakPolarHBondContact O-CA 3.48Å; K81-T88 HydrophobicContact CB-CG2 4.28Å; K81-T88 HydrophobicContact CD-CG2 4.21Å; K81-T88 HydrophobicContact CG-CG2 3.74Å
89	F	70.8	Confident	73.5	Confident	9 Å²	9	85.5 Å²	85.5	4%	0.039	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	146.5	-174	-58.4	-88	0	0	0	110.3	R78 K79 Y80 C82 K87 N94 L95 H98	R78-F89 CarbonylContact C-O 3.55Å; R78-F89 WeakPolarHBondContact CA-O 3.16Å; K79-F89 PolarHBondContact N-O 3.13Å; Y80-F89 WeakPolarHBondContact CB-O 3.36Å; Y80-F89 WeakPolarHBondContact CD2-O 3.36Å; Y80-F89 PolarHBondContact N-O 3.13Å; Y80-F89 VanDerWaalsContact N-O 3.12Å; Y80-F89 PolarHBondContact O-N 3.2Å; C82-F89 HydrophobicContact CB-CE2 4.44Å; K87-F89 HydrophobicContact CB-CE2 3.83Å; K87-F89 HydrophobicContact CB-CZ 3.9Å; F89-N94 HydrophobicContact CB-CB 4.26Å; F89-N94 HydrophobicContact CD1-CB 3.9Å; F89-N94 HydrophobicContact CG-CB 4.36Å; F89-L95 HydrophobicContact CB-CB 4.24Å; F89-L95 HydrophobicContact CD2-CB 3.85Å; F89-L95 HydrophobicContact CD2-CD1 3.75Å; F89-L95 HydrophobicContact CD2-CG 4.39Å; F89-L95 HydrophobicContact CE2-CD1 3.93Å; F89-L95 HydrophobicContact CG-CB 4.18Å; F89-H98 HydrophobicContact CE1-CB 3.83Å; F89-H98 HydrophobicContact CE2-CB 3.85Å; F89-H98 AromaticContact CE2-CD2 3.48Å; F89-H98 VanDerWaalsContact CE2-CD2 3.48Å; F89-H98 WeakPolarHBondContact CE2-CD2 3.46Å; F89-H98 AromaticContact CE2-CG 3.57Å; F89-H98 HydrophobicContact CZ-CB 3.37Å; F89-H98 AromaticContact CZ-CD2 3.54Å; F89-H98 AromaticContact CZ-CG 3.13Å; F89-H98 AromaticContact CZ-ND1 3.52Å
90	S	63.2	Low	74.4	Confident	61 Å²	61	80.5 Å²	80.5	43%	0.427	41%	0.408	S	S	.	.	S	Bend	trans	-74.3	-27.2	174.1	49.8	0	0	0	0	112.5	Y80	Y80-S90 WeakPolarHBondContact CD2-O 3.45Å; Y80-S90 WeakPolarHBondContact CE2-O 3.44Å
91	H	69.3	Low	74.8	Confident	109 Å²	109	77.2 Å²	77.2	51%	0.505	40%	0.397	S	S	.	.	S	Bend	trans	-125.9	143.2	-179.1	-58.5	-73.9	0	0	0	112.5	Y80 T93 N94 L95	Y80-H91 VanDerWaalsContact CD2-C 3.45Å; H91-T93 VanDerWaalsContact C-N 3.28Å; H91-T93 PolarHBondContact O-N 3.39Å; H91-N94 PolarHBondContact O-N 2.99Å; H91-L95 PolarHBondContact O-N 3.29Å
92	R	72.1	Confident	75.1	Confident	190 Å²	190	73.4 Å²	73.4	72%	0.717	38%	0.381	S	S	*	.	H	α-helix	trans	-62.3	-33.7	176.5	-172.1	177.3	179.8	171.8	0.5	112.6	Y80 L95 K96	Y80-R92 HydrophobicContact CD1-CB 4.1Å; Y80-R92 HydrophobicContact CD1-CG 4.48Å; Y80-R92 HydrophobicContact CE1-CB 3.94Å; Y80-R92 HydrophobicContact CE1-CG 4.46Å; Y80-R92 HydrophobicContact CE2-CB 4.4Å; Y80-R92 HydrophobicContact CG-CB 4.41Å; R92-L95 PolarHBondContact O-N 3.03Å; R92-K96 PolarHBondContact O-N 3.06Å
93	T	73.9	Confident	75.4	Confident	93 Å²	93	76.4 Å²	76.4	57%	0.571	40%	0.399	S	S	*	.	H	α-helix	trans	-61.3	-44.5	175.5	46.1	0	0	0	0	111.4	H91 K96 T97	H91-T93 VanDerWaalsContact C-N 3.28Å; H91-T93 PolarHBondContact O-N 3.39Å; T93-K96 WeakPolarHBondContact O-CB 3.41Å; T93-K96 PolarHBondContact O-N 3.11Å; T93-T97 PolarHBondContact O-N 3.04Å; T93-T97 PolarHBondContact O-OG1 3.37Å; T93-T97 VanDerWaalsContact O-OG1 3.13Å
94	N	73.1	Confident	75.5	Confident	73 Å²	73	74.1 Å²	74.1	39%	0.39	38%	0.376	S	S	.	.	H	α-helix	trans	-65.8	-41.5	178.1	-64	6.8	0	0	0	110.9	F89 H91 K96 T97 H98	F89-N94 HydrophobicContact CB-CB 4.26Å; F89-N94 HydrophobicContact CD1-CB 3.9Å; F89-N94 HydrophobicContact CG-CB 4.36Å; H91-N94 PolarHBondContact O-N 2.99Å; N94-K96 PolarHBondContact O-N 3.22Å; N94-T97 PolarHBondContact O-N 3.29Å; N94-H98 VanDerWaalsContact O-CB 3.27Å; N94-H98 WeakPolarHBondContact O-CB 3.46Å; N94-H98 PolarHBondContact O-N 3.25Å
95	L	76.8	Confident	75.8	Confident	24 Å²	24	74.9 Å²	74.9	13%	0.126	37%	0.373	C	S	.	.	H	α-helix	trans	-60.1	-43.7	171.9	173.5	61.2	0	0	0	111.7	K81 C82 F89 H91 R92 T97 H98 R99	K81-L95 WeakPolarHBondContact O-CD2 3.31Å; C82-L95 HydrophobicContact CB-CD1 3.8Å; F89-L95 HydrophobicContact CB-CB 4.24Å; F89-L95 HydrophobicContact CD2-CB 3.85Å; F89-L95 HydrophobicContact CD2-CD1 3.75Å; F89-L95 HydrophobicContact CD2-CG 4.39Å; F89-L95 HydrophobicContact CE2-CD1 3.93Å; F89-L95 HydrophobicContact CG-CB 4.18Å; H91-L95 PolarHBondContact O-N 3.29Å; R92-L95 PolarHBondContact O-N 3.03Å; L95-T97 PolarHBondContact O-N 2.9Å; L95-H98 PolarHBondContact O-N 3.32Å; L95-R99 HydrophobicContact CD1-CG 4.25Å; L95-R99 WeakPolarHBondContact O-CG 3.44Å; L95-R99 PolarHBondContact O-N 3.08Å
96	K	80.3	Confident	76.2	Confident	139 Å²	139	78.4 Å²	78.4	60%	0.604	38%	0.384	S	S	*	.	H	α-helix	trans	-60.5	-45.2	177.7	-176.5	179.7	-179.7	179.8	0	111.4	R92 T93 N94 R99	R92-K96 PolarHBondContact O-N 3.06Å; T93-K96 WeakPolarHBondContact O-CB 3.41Å; T93-K96 PolarHBondContact O-N 3.11Å; N94-K96 PolarHBondContact O-N 3.22Å; K96-R99 PolarHBondContact O-N 3.48Å
97	T	76.5	Confident	76.7	Confident	37 Å²	37	72.3 Å²	72.3	23%	0.227	36%	0.361	C	S	.	.	H	α-helix	trans	-65	-43.2	176.5	-58	0	0	0	0	111.3	T93 N94 L95 R99 R100 Q119	T93-T97 PolarHBondContact O-N 3.04Å; T93-T97 PolarHBondContact O-OG1 3.37Å; T93-T97 VanDerWaalsContact O-OG1 3.13Å; N94-T97 PolarHBondContact O-N 3.29Å; L95-T97 PolarHBondContact O-N 2.9Å; T97-R99 VanDerWaalsContact C-N 3.31Å; T97-R99 PolarHBondContact O-N 3.05Å; T97-R100 VanDerWaalsContact O-CB 3.24Å; T97-R100 WeakPolarHBondContact O-CB 3.29Å; T97-R100 PolarHBondContact O-N 2.93Å; T97-R100 VanDerWaalsContact O-N 3.12Å; T97-Q119 HydrophobicContact CG2-CG 3.55Å
98	H	81.8	Confident	77.6	Confident	11 Å²	11	72.8 Å²	72.8	5%	0.051	36%	0.361	C	S	.	.	H	α-helix	trans	-59.8	-38.9	175.6	169.5	73.6	0	0	0	112.4	C82 C85 F89 N94 L95 R100 I101 H102	C82-H98 PolarHBondContact SG-NE2 3.39Å; C85-H98 PolarHBondContact SG-NE2 2.91Å; F89-H98 HydrophobicContact CE1-CB 3.83Å; F89-H98 HydrophobicContact CE2-CB 3.85Å; F89-H98 AromaticContact CE2-CD2 3.48Å; F89-H98 VanDerWaalsContact CE2-CD2 3.48Å; F89-H98 WeakPolarHBondContact CE2-CD2 3.46Å; F89-H98 AromaticContact CE2-CG 3.57Å; F89-H98 HydrophobicContact CZ-CB 3.37Å; F89-H98 AromaticContact CZ-CD2 3.54Å; F89-H98 AromaticContact CZ-CG 3.13Å; F89-H98 AromaticContact CZ-ND1 3.52Å; N94-H98 VanDerWaalsContact O-CB 3.27Å; N94-H98 WeakPolarHBondContact O-CB 3.46Å; N94-H98 PolarHBondContact O-N 3.25Å; L95-H98 PolarHBondContact O-N 3.32Å; H98-R100 PolarHBondContact O-N 3.34Å; H98-R100 VanDerWaalsContact O-N 3.1Å; H98-I101 VanDerWaalsContact O-CB 3.22Å; H98-I101 WeakPolarHBondContact O-CB 3.46Å; H98-I101 VanDerWaalsContact O-CG1 3.27Å; H98-I101 WeakPolarHBondContact O-CG1 3.17Å; H98-I101 PolarHBondContact O-N 3.48Å; H98-H102 AromaticContact CD2-NE2 3.96Å; H98-H102 AromaticContact CE1-NE2 3.69Å; H98-H102 AromaticContact NE2-CD2 3.81Å; H98-H102 AromaticContact NE2-NE2 3.08Å; H98-H102 PolarHBondContact NE2-NE2 3.31Å
99	R	79	Confident	78.3	Confident	135 Å²	135	78 Å²	78	51%	0.509	38%	0.381	S	S	.	.	H	α-helix	trans	-58.6	-24.6	177	-77	-178.6	68.5	-132.5	-2.3	113.5	L95 K96 T97 I101 H102 T103	L95-R99 HydrophobicContact CD1-CG 4.25Å; L95-R99 WeakPolarHBondContact O-CG 3.44Å; L95-R99 PolarHBondContact O-N 3.08Å; K96-R99 PolarHBondContact O-N 3.48Å; T97-R99 VanDerWaalsContact C-N 3.31Å; T97-R99 PolarHBondContact O-N 3.05Å; R99-I101 PolarHBondContact O-N 3.48Å; R99-H102 PolarHBondContact O-N 3.13Å; R99-T103 PolarHBondContact O-N 2.82Å; R99-T103 VanDerWaalsContact O-N 3.09Å; R99-T103 PolarHBondContact O-OG1 2.9Å
100	R	83.5	Confident	78.4	Confident	34 Å²	34	78.2 Å²	78.2	13%	0.128	38%	0.383	C	S	.	.	H	α-helix	trans	-64.5	-17.7	174	-60.3	178.3	174.7	160.2	-1.5	113.3	T97 H98 T103 G104 E105 R118	T97-R100 VanDerWaalsContact O-CB 3.24Å; T97-R100 WeakPolarHBondContact O-CB 3.29Å; T97-R100 PolarHBondContact O-N 2.93Å; T97-R100 VanDerWaalsContact O-N 3.12Å; H98-R100 PolarHBondContact O-N 3.34Å; H98-R100 VanDerWaalsContact O-N 3.1Å; R100-T103 WeakPolarHBondContact CA-OG1 3.4Å; R100-G104 CarbonylContact O-C 3.59Å; R100-G104 WeakPolarHBondContact O-CA 3.33Å; R100-G104 PolarHBondContact O-N 3.18Å; R100-E105 HydrophobicContact CB-CB 4.43Å; R100-E105 HydrophobicContact CG-CB 4.3Å; R100-E105 PolarHBondContact O-N 3.4Å; R100-R118 HydrophobicContact CB-CB 4.35Å; R100-R118 HydrophobicContact CB-CG 4.29Å; R100-R118 WeakPolarHBondContact CD-O 3.39Å; R100-R118 PolarHBondContact NH1-O 2.87Å; R100-R118 PolarHBondContact O-NE 3.43Å; R100-R118 VanDerWaalsContact O-NE 3.11Å
101	I	78.2	Confident	79.4	Confident	25 Å²	25	80.8 Å²	80.8	13%	0.128	40%	0.396	C	S	.	.	H	α-helix	trans	-67.8	-44.7	172	-57.5	176.8	0	0	0	109.7	H98 R99 D222	H98-I101 VanDerWaalsContact O-CB 3.22Å; H98-I101 WeakPolarHBondContact O-CB 3.46Å; H98-I101 VanDerWaalsContact O-CG1 3.27Å; H98-I101 WeakPolarHBondContact O-CG1 3.17Å; H98-I101 PolarHBondContact O-N 3.48Å; R99-I101 PolarHBondContact O-N 3.48Å; I101-D222 HydrophobicContact CD1-CB 4.05Å
102	H	80.5	Confident	79.6	Confident	75 Å²	75	81.8 Å²	81.8	35%	0.347	40%	0.401	S	S	.	.	H	α-helix	trans	-73.4	-38.4	-179.9	-59.5	-56.3	0	0	0	112.6	C82 T84 C85 H98 R99	C82-H102 PolarHBondContact SG-NE2 3.38Å; T84-H102 HydrophobicContact CG2-CB 4.2Å; C85-H102 PolarHBondContact SG-NE2 2.89Å; H98-H102 AromaticContact CD2-NE2 3.96Å; H98-H102 AromaticContact CE1-NE2 3.69Å; H98-H102 AromaticContact NE2-CD2 3.81Å; H98-H102 AromaticContact NE2-NE2 3.08Å; H98-H102 PolarHBondContact NE2-NE2 3.31Å; R99-H102 PolarHBondContact O-N 3.13Å
103	T	82.4	Confident	79.8	Confident	73 Å²	73	75 Å²	75	45%	0.448	38%	0.383	S	S	.	.	H	α-helix	trans	-84.7	-14.8	179.7	63.5	0	0	0	0	113.6	R99 R100 E105	R99-T103 PolarHBondContact O-N 2.82Å; R99-T103 VanDerWaalsContact O-N 3.09Å; R99-T103 PolarHBondContact O-OG1 2.9Å; R100-T103 WeakPolarHBondContact CA-OG1 3.4Å; T103-E105 PolarHBondContact O-N 3.47Å; T103-E105 WeakPolarHBondContact OG1-CG 3.12Å; T103-E105 PolarHBondContact OG1-N 3.16Å
104	G	80.9	Confident	80.2	Confident	40 Å²	40	75.7 Å²	75.7	41%	0.412	40%	0.397	S	S	.	.			trans	72	1.7	-174.2	0	0	0	0	0	114.7	R100 K106	R100-G104 CarbonylContact O-C 3.59Å; R100-G104 WeakPolarHBondContact O-CA 3.33Å; R100-G104 PolarHBondContact O-N 3.18Å; G104-K106 PolarHBondContact O-N 3.37Å
105	E	82.8	Confident	80.3	Confident	115 Å²	115	73.7 Å²	73.7	54%	0.537	39%	0.391	S	S	.	.			trans	-59.4	124	-177.7	-77.7	177.6	-165.1	0	0	112.6	R100 T103 P107 R118	R100-E105 HydrophobicContact CB-CB 4.43Å; R100-E105 HydrophobicContact CG-CB 4.3Å; R100-E105 PolarHBondContact O-N 3.4Å; T103-E105 PolarHBondContact O-N 3.47Å; T103-E105 WeakPolarHBondContact OG1-CG 3.12Å; T103-E105 PolarHBondContact OG1-N 3.16Å; E105-P107 WeakPolarHBondContact O-CD 3.45Å; E105-R118 WeakPolarHBondContact O-CG 3.46Å
106	K	85.6	Confident	80.4	Confident	112 Å²	112	74.2 Å²	74.2	49%	0.487	40%	0.397	S	S	.	.			trans	-121.6	77.5	176.7	-72.1	169.2	169.9	-169.8	0	110.2	G104 Y108 S116 F117 R118	G104-K106 PolarHBondContact O-N 3.37Å; K106-Y108 VanDerWaalsContact C-N 3.26Å; K106-Y108 PolarHBondContact O-N 3.35Å; K106-S116 WeakPolarHBondContact CD-O 3.36Å; K106-F117 CarbonylContact C-O 3.3Å; K106-F117 VanDerWaalsContact C-O 3.29Å; K106-F117 WeakPolarHBondContact CA-O 3.49Å; K106-R118 HydrophobicContact CG-CG 4Å
107	P	85.8	Confident	80.5	Confident	65 Å²	65	69.6 Å²	69.6	42%	0.422	38%	0.376	S	S	.	.			trans	-70.4	-19.5	-172.1	25.8	-32.9	0	0	0	113.9	E105	E105-P107 WeakPolarHBondContact O-CD 3.45Å
108	Y	86.1	Confident	80.8	Confident	70 Å²	70	70.5 Å²	70.5	28%	0.275	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	104.4	-175.5	-53.9	-74.5	0	0	0	110.1	K106 S116 F117 R118 Q119 Q120	K106-Y108 VanDerWaalsContact C-N 3.26Å; K106-Y108 PolarHBondContact O-N 3.35Å; Y108-S116 CarbonylContact O-C 3.6Å; Y108-S116 WeakPolarHBondContact O-CA 3.24Å; Y108-F117 WeakPolarHBondContact CD2-O 3.32Å; Y108-F117 PolarHBondContact N-O 3.22Å; Y108-F117 VanDerWaalsContact N-O 3.1Å; Y108-F117 PolarHBondContact O-N 3.25Å; Y108-R118 WeakPolarHBondContact CE2-O 3.35Å; Y108-Q119 VanDerWaalsContact CE2-CA 3.49Å; Y108-Q120 HydrophobicContact CD1-CB 4.11Å; Y108-Q120 HydrophobicContact CE1-CB 3.88Å; Y108-Q120 HydrophobicContact CE2-CB 4.47Å; Y108-Q120 HydrophobicContact CG-CB 4.49Å
109	K	80.9	Confident	80.8	Confident	149 Å²	149	72.7 Å²	72.7	65%	0.648	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.9	143.1	-177.6	-54.5	-171.8	179.3	178.1	0	110.7	L123	K109-L123 WeakPolarHBondContact O-CD2 3.44Å
110	C	74.6	Confident	80.9	Confident	13 Å²	13	70.7 Å²	70.7	9%	0.088	38%	0.382	C	S	.	.			trans	-73.9	141.8	168.6	-177.1	0	0	0	0	109.7	E112 C113 A115 L123 H126 H130	C110-E112 PolarHBondContact SG-N 3.47Å; C110-E112 VanDerWaalsContact SG-N 3.38Å; C110-C113 WeakPolarHBondContact CB-O 3.42Å; C110-C113 PolarHBondContact SG-N 3.04Å; C110-A115 HydrophobicContact CB-CB 4.29Å; C110-A115 WeakPolarHBondContact CB-O 3.44Å; C110-A115 PolarHBondContact N-O 3.05Å; C110-L123 HydrophobicContact CB-CD1 3.98Å; C110-H126 PolarHBondContact SG-NE2 3.36Å; C110-H126 VanDerWaalsContact SG-NE2 3.43Å; C110-H130 PolarHBondContact SG-NE2 2.8Å
111	T	84.3	Confident	80.6	Confident	115 Å²	115	72.2 Å²	72.2	71%	0.706	40%	0.399	S	S	*	.	S	Bend	trans	-82.7	-30.9	174.9	52.3	0	0	0	0	111.9
112	E	71.6	Confident	80.7	Confident	130 Å²	130	73 Å²	73	61%	0.607	40%	0.402	S	S	*	.	S	Bend	trans	-86.4	-16.9	-176.4	-52.8	-50.4	129.2	0	0	113.4	C110 M127 H130	C110-E112 PolarHBondContact SG-N 3.47Å; C110-E112 VanDerWaalsContact SG-N 3.38Å; E112-M127 HydrophobicContact CG-CE 3.96Å; E112-H130 HydrophobicContact CG-CB 4.47Å
113	C	78.1	Confident	80.7	Confident	48 Å²	48	70.3 Å²	70.3	32%	0.324	39%	0.389	S	S	.	.	S	Bend	trans	-153.7	171.8	179	75.6	0	0	0	0	112.4	C110 A115 H126	C110-C113 WeakPolarHBondContact CB-O 3.42Å; C110-C113 PolarHBondContact SG-N 3.04Å; C113-A115 PolarHBondContact O-N 2.98Å; C113-A115 WeakPolarHBondContact SG-CB 3.29Å; C113-A115 PolarHBondContact SG-N 3.48Å; C113-H126 PolarHBondContact SG-NE2 2.77Å
114	A	81.4	Confident	80.4	Confident	106 Å²	106	70.1 Å²	70.1	88%	0.876	39%	0.388	S	S	*	.	S	Bend	trans	-71.8	3	-179.8	0	0	0	0	0	114.7
115	A	74.8	Confident	80.1	Confident	31 Å²	31	71.4 Å²	71.4	26%	0.256	38%	0.381	S	S	.	.			trans	-67.3	139.3	-178.9	0	0	0	0	0	111.7	C110 C113 F117	C110-A115 HydrophobicContact CB-CB 4.29Å; C110-A115 WeakPolarHBondContact CB-O 3.44Å; C110-A115 PolarHBondContact N-O 3.05Å; C113-A115 PolarHBondContact O-N 2.98Å; C113-A115 WeakPolarHBondContact SG-CB 3.29Å; C113-A115 PolarHBondContact SG-N 3.48Å; A115-F117 HydrophobicContact CB-CE2 3.85Å; A115-F117 HydrophobicContact CB-CZ 3.83Å
116	S	78.9	Confident	79.9	Confident	35 Å²	35	67.9 Å²	67.9	25%	0.245	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	145.2	177.4	-57.7	0	0	0	0	111	K106 Y108	K106-S116 WeakPolarHBondContact CD-O 3.36Å; Y108-S116 CarbonylContact O-C 3.6Å; Y108-S116 WeakPolarHBondContact O-CA 3.24Å
117	F	82.4	Confident	79.2	Confident	42 Å²	42	64.6 Å²	64.6	18%	0.184	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	151	-168.7	-55.5	-85.5	0	0	0	112	K106 Y108 A115 H122 L123 H126	K106-F117 CarbonylContact C-O 3.3Å; K106-F117 VanDerWaalsContact C-O 3.29Å; K106-F117 WeakPolarHBondContact CA-O 3.49Å; Y108-F117 WeakPolarHBondContact CD2-O 3.32Å; Y108-F117 PolarHBondContact N-O 3.22Å; Y108-F117 VanDerWaalsContact N-O 3.1Å; Y108-F117 PolarHBondContact O-N 3.25Å; A115-F117 HydrophobicContact CB-CE2 3.85Å; A115-F117 HydrophobicContact CB-CZ 3.83Å; F117-H122 HydrophobicContact CB-CB 4.07Å; F117-H122 HydrophobicContact CD1-CB 3.84Å; F117-H122 HydrophobicContact CG-CB 4.15Å; F117-L123 HydrophobicContact CB-CB 4.48Å; F117-L123 HydrophobicContact CD2-CB 3.84Å; F117-L123 HydrophobicContact CD2-CD1 3.85Å; F117-L123 HydrophobicContact CD2-CG 4.45Å; F117-L123 HydrophobicContact CE2-CD1 3.92Å; F117-L123 HydrophobicContact CG-CB 4.37Å; F117-H126 HydrophobicContact CE1-CB 4.1Å; F117-H126 HydrophobicContact CE2-CB 3.84Å; F117-H126 AromaticContact CE2-CD2 3.57Å; F117-H126 AromaticContact CE2-CG 3.71Å; F117-H126 HydrophobicContact CZ-CB 3.42Å; F117-H126 VanDerWaalsContact CZ-CB 3.42Å; F117-H126 AromaticContact CZ-CD2 3.63Å; F117-H126 AromaticContact CZ-CG 3.32Å; F117-H126 AromaticContact CZ-ND1 3.79Å
118	R	82.6	Confident	78.5	Confident	57 Å²	57	62.7 Å²	62.7	22%	0.215	34%	0.337	C	S	.	.	S	Bend	trans	-79	-19.7	176.6	-61.3	-173.9	177.5	127.9	-0.8	113.4	R100 E105 K106 Y108 D222	R100-R118 HydrophobicContact CB-CB 4.35Å; R100-R118 HydrophobicContact CB-CG 4.29Å; R100-R118 WeakPolarHBondContact CD-O 3.39Å; R100-R118 PolarHBondContact NH1-O 2.87Å; R100-R118 PolarHBondContact O-NE 3.43Å; R100-R118 VanDerWaalsContact O-NE 3.11Å; E105-R118 WeakPolarHBondContact O-CG 3.46Å; K106-R118 HydrophobicContact CG-CG 4Å; Y108-R118 WeakPolarHBondContact CE2-O 3.35Å; R118-D222 IonicContact NH1-OD2 2.72Å; R118-D222 PolarHBondContact NH1-OD2 2.88Å
119	Q	81.6	Confident	77.7	Confident	56 Å²	56	61.9 Å²	61.9	26%	0.262	34%	0.342	S	S	.	.	S	Bend	trans	-134.1	145.2	-176.8	-60.2	-170	12.5	0	0	111.3	T97 Y108 S121 H122 L123	T97-Q119 HydrophobicContact CG2-CG 3.55Å; Y108-Q119 VanDerWaalsContact CE2-CA 3.49Å; Q119-S121 PolarHBondContact OE1-OG 3.14Å; Q119-H122 PolarHBondContact O-N 3.42Å; Q119-L123 PolarHBondContact O-N 2.7Å
120	Q	82.8	Confident	77.3	Confident	93 Å²	93	58.5 Å²	58.5	44%	0.435	33%	0.328	S	S	.	.	H	α-helix	trans	-64.5	-40.1	179	-178.5	62	19.4	0	0	112	Y108 H122 L123 T124	Y108-Q120 HydrophobicContact CD1-CB 4.11Å; Y108-Q120 HydrophobicContact CE1-CB 3.88Å; Y108-Q120 HydrophobicContact CE2-CB 4.47Å; Y108-Q120 HydrophobicContact CG-CB 4.49Å; Q120-H122 PolarHBondContact O-N 2.58Å; Q120-L123 WeakPolarHBondContact O-CB 3.27Å; Q120-L123 PolarHBondContact O-N 2.73Å; Q120-T124 PolarHBondContact O-N 3.17Å; Q120-T124 PolarHBondContact O-OG1 3.48Å
121	S	77.4	Confident	76.9	Confident	67 Å²	67	62.8 Å²	62.8	47%	0.469	35%	0.35	S	S	.	.	H	α-helix	trans	-55.4	-38.5	177	52.4	0	0	0	0	112.3	Q119 R125	Q119-S121 PolarHBondContact OE1-OG 3.14Å; S121-R125 VanDerWaalsContact O-CB 3.24Å; S121-R125 WeakPolarHBondContact O-CB 3.22Å; S121-R125 PolarHBondContact O-N 3.48Å
122	H	79.7	Confident	76.1	Confident	42 Å²	42	65.9 Å²	65.9	19%	0.194	35%	0.354	C	S	.	.	H	α-helix	trans	-70.2	-37.8	177.5	-64.6	-179.5	0	0	0	111.9	F117 Q119 Q120 H126 D222	F117-H122 HydrophobicContact CB-CB 4.07Å; F117-H122 HydrophobicContact CD1-CB 3.84Å; F117-H122 HydrophobicContact CG-CB 4.15Å; Q119-H122 PolarHBondContact O-N 3.42Å; Q120-H122 PolarHBondContact O-N 2.58Å; H122-H126 WeakPolarHBondContact O-CB 3.45Å; H122-H126 PolarHBondContact O-N 3.07Å; H122-D222 IonicContact CE1-OD1 3.58Å
123	L	80.3	Confident	75.8	Confident	17 Å²	17	64.8 Å²	64.8	9%	0.089	35%	0.348	C	S	.	.	H	α-helix	trans	-63.8	-51.3	173.1	172.9	61.4	0	0	0	110.7	K109 C110 F117 Q119 Q120 R125 H126 M127	K109-L123 WeakPolarHBondContact O-CD2 3.44Å; C110-L123 HydrophobicContact CB-CD1 3.98Å; F117-L123 HydrophobicContact CB-CB 4.48Å; F117-L123 HydrophobicContact CD2-CB 3.84Å; F117-L123 HydrophobicContact CD2-CD1 3.85Å; F117-L123 HydrophobicContact CD2-CG 4.45Å; F117-L123 HydrophobicContact CE2-CD1 3.92Å; F117-L123 HydrophobicContact CG-CB 4.37Å; Q119-L123 PolarHBondContact O-N 2.7Å; Q120-L123 WeakPolarHBondContact O-CB 3.27Å; Q120-L123 PolarHBondContact O-N 2.73Å; L123-R125 VanDerWaalsContact C-N 3.27Å; L123-R125 PolarHBondContact O-N 2.85Å; L123-H126 CarbonylContact O-C 3.53Å; L123-H126 WeakPolarHBondContact O-CA 3.37Å; L123-H126 WeakPolarHBondContact O-CB 3.42Å; L123-H126 PolarHBondContact O-N 2.89Å; L123-M127 HydrophobicContact CD1-CG 4.02Å; L123-M127 HydrophobicContact CD1-SD 4.23Å; L123-M127 HydrophobicContact CG-CG 4.32Å; L123-M127 WeakPolarHBondContact O-CG 3.34Å; L123-M127 PolarHBondContact O-N 2.71Å
124	T	76.2	Confident	75.6	Confident	69 Å²	69	68.3 Å²	68.3	42%	0.423	36%	0.358	S	S	.	.	H	α-helix	trans	-54.5	-46.3	178.1	-59.9	0	0	0	0	111.4	Q120 H126 M127 N128	Q120-T124 PolarHBondContact O-N 3.17Å; Q120-T124 PolarHBondContact O-OG1 3.48Å; T124-H126 VanDerWaalsContact C-N 3.31Å; T124-H126 PolarHBondContact O-N 3.09Å; T124-M127 WeakPolarHBondContact O-CB 3.45Å; T124-M127 PolarHBondContact O-N 2.77Å; T124-M127 VanDerWaalsContact O-N 3.13Å; T124-N128 PolarHBondContact O-N 3.43Å; T124-N128 VanDerWaalsContact O-N 3.1Å; T124-N128 PolarHBondContact O-OD1 3.47Å
125	R	73.6	Confident	75.2	Confident	68 Å²	68	66.8 Å²	66.8	26%	0.257	34%	0.339	S	S	.	.	H	α-helix	trans	-60.9	-39.2	176.8	-173.4	175.7	82.4	171.7	-12.9	113.3	S121 L123 W147	S121-R125 VanDerWaalsContact O-CB 3.24Å; S121-R125 WeakPolarHBondContact O-CB 3.22Å; S121-R125 PolarHBondContact O-N 3.48Å; L123-R125 VanDerWaalsContact C-N 3.27Å; L123-R125 PolarHBondContact O-N 2.85Å; R125-W147 HydrophobicContact CG-CB 4.19Å; R125-W147 HydrophobicContact CG-CD2 3.95Å; R125-W147 HydrophobicContact CG-CE3 3.1Å; R125-W147 HydrophobicContact CG-CG 4.43Å; R125-W147 HydrophobicContact CG-CZ3 3.58Å
126	H	78.7	Confident	75.3	Confident	41 Å²	41	69.2 Å²	69.2	19%	0.19	34%	0.343	C	S	.	.	H	α-helix	trans	-68.6	-38.8	173.9	170.3	74.7	0	0	0	111.6	C110 C113 F117 H122 L123 T124 N128 S129 H130	C110-H126 PolarHBondContact SG-NE2 3.36Å; C110-H126 VanDerWaalsContact SG-NE2 3.43Å; C113-H126 PolarHBondContact SG-NE2 2.77Å; F117-H126 HydrophobicContact CE1-CB 4.1Å; F117-H126 HydrophobicContact CE2-CB 3.84Å; F117-H126 AromaticContact CE2-CD2 3.57Å; F117-H126 AromaticContact CE2-CG 3.71Å; F117-H126 HydrophobicContact CZ-CB 3.42Å; F117-H126 VanDerWaalsContact CZ-CB 3.42Å; F117-H126 AromaticContact CZ-CD2 3.63Å; F117-H126 AromaticContact CZ-CG 3.32Å; F117-H126 AromaticContact CZ-ND1 3.79Å; H122-H126 WeakPolarHBondContact O-CB 3.45Å; H122-H126 PolarHBondContact O-N 3.07Å; L123-H126 CarbonylContact O-C 3.53Å; L123-H126 WeakPolarHBondContact O-CA 3.37Å; L123-H126 WeakPolarHBondContact O-CB 3.42Å; L123-H126 PolarHBondContact O-N 2.89Å; T124-H126 VanDerWaalsContact C-N 3.31Å; T124-H126 PolarHBondContact O-N 3.09Å; H126-N128 VanDerWaalsContact C-N 3.28Å; H126-N128 PolarHBondContact O-N 3.18Å; H126-S129 VanDerWaalsContact O-CB 3.32Å; H126-S129 WeakPolarHBondContact O-CB 3.35Å; H126-S129 PolarHBondContact O-N 3.02Å; H126-S129 PolarHBondContact O-OG 3.23Å; H126-H130 AromaticContact CD2-NE2 3.74Å; H126-H130 AromaticContact CE1-NE2 3.46Å; H126-H130 PolarHBondContact CE1-NE2 3.27Å; H126-H130 AromaticContact NE2-CD2 3.81Å; H126-H130 AromaticContact NE2-CE1 3.93Å; H126-H130 AromaticContact NE2-NE2 2.98Å; H126-H130 PolarHBondContact NE2-NE2 3.12Å
127	M	71.4	Confident	75.3	Confident	42 Å²	42	71.9 Å²	71.9	21%	0.207	36%	0.357	C	S	.	.	H	α-helix	trans	-61.2	-36.2	176.7	-67.8	-59.9	-66.8	0	0	112.3	E112 L123 T124 S129 H130 L131	E112-M127 HydrophobicContact CG-CE 3.96Å; L123-M127 HydrophobicContact CD1-CG 4.02Å; L123-M127 HydrophobicContact CD1-SD 4.23Å; L123-M127 HydrophobicContact CG-CG 4.32Å; L123-M127 WeakPolarHBondContact O-CG 3.34Å; L123-M127 PolarHBondContact O-N 2.71Å; T124-M127 WeakPolarHBondContact O-CB 3.45Å; T124-M127 PolarHBondContact O-N 2.77Å; T124-M127 VanDerWaalsContact O-N 3.13Å; M127-S129 PolarHBondContact O-N 2.85Å; M127-S129 VanDerWaalsContact O-N 3.1Å; M127-H130 WeakPolarHBondContact O-CB 3.4Å; M127-H130 PolarHBondContact O-N 3.19Å; M127-L131 PolarHBondContact O-N 3.4Å
128	N	71.4	Confident	75.2	Confident	25 Å²	25	70 Å²	70	13%	0.134	35%	0.349	C	S	.	.	H	α-helix	trans	-58.1	-25.7	173.8	-63.8	-4.3	0	0	0	112.7	T124 H126 K132 E133 M146	T124-N128 PolarHBondContact O-N 3.43Å; T124-N128 VanDerWaalsContact O-N 3.1Å; T124-N128 PolarHBondContact O-OD1 3.47Å; H126-N128 VanDerWaalsContact C-N 3.28Å; H126-N128 PolarHBondContact O-N 3.18Å; N128-K132 WeakPolarHBondContact O-CA 3.49Å; N128-K132 PolarHBondContact O-N 3.47Å; N128-K132 VanDerWaalsContact O-N 3.1Å; N128-E133 PolarHBondContact O-N 3.34Å; N128-E133 VanDerWaalsContact O-N 3.13Å; N128-M146 HydrophobicContact CB-CB 4.16Å; N128-M146 HydrophobicContact CB-CG 4.24Å; N128-M146 PolarHBondContact ND2-O 2.72Å; N128-M146 VanDerWaalsContact ND2-O 3.09Å
129	S	70.1	Confident	75.1	Confident	53 Å²	53	72.2 Å²	72.2	37%	0.371	37%	0.373	S	S	.	.	H	α-helix	trans	-73.9	-29.9	176.2	76.2	0	0	0	0	113.5	H126 M127 M146	H126-S129 VanDerWaalsContact O-CB 3.32Å; H126-S129 WeakPolarHBondContact O-CB 3.35Å; H126-S129 PolarHBondContact O-N 3.02Å; H126-S129 PolarHBondContact O-OG 3.23Å; M127-S129 PolarHBondContact O-N 2.85Å; M127-S129 VanDerWaalsContact O-N 3.1Å; S129-M146 VanDerWaalsContact CA-SD 3.55Å
130	H	70.6	Confident	74.9	Confident	78 Å²	78	74.1 Å²	74.1	36%	0.361	39%	0.389	S	S	.	.	H	α-helix	trans	-73.6	-42.8	174.4	-66.7	-54.5	0	0	0	111.1	C110 E112 H126 M127 K132	C110-H130 PolarHBondContact SG-NE2 2.8Å; E112-H130 HydrophobicContact CG-CB 4.47Å; H126-H130 AromaticContact CD2-NE2 3.74Å; H126-H130 AromaticContact CE1-NE2 3.46Å; H126-H130 PolarHBondContact CE1-NE2 3.27Å; H126-H130 AromaticContact NE2-CD2 3.81Å; H126-H130 AromaticContact NE2-CE1 3.93Å; H126-H130 AromaticContact NE2-NE2 2.98Å; H126-H130 PolarHBondContact NE2-NE2 3.12Å; M127-H130 WeakPolarHBondContact O-CB 3.4Å; M127-H130 PolarHBondContact O-N 3.19Å; H130-K132 PolarHBondContact O-N 3.46Å
131	L	68	Low	74.8	Confident	104 Å²	104	72.9 Å²	72.9	55%	0.545	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-7.7	179.1	-58.4	176.1	0	0	0	113	M127 E133	M127-L131 PolarHBondContact O-N 3.4Å; L131-E133 HydrophobicContact CB-CB 4.15Å; L131-E133 HydrophobicContact CB-CG 3.74Å; L131-E133 PolarHBondContact O-N 3.3Å
132	K	67.6	Low	74.7	Confident	180 Å²	180	72.5 Å²	72.5	78%	0.783	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	19.3	-168.3	-59.1	179.4	-178.8	176.5	0	113.2	N128 H130 K134	N128-K132 WeakPolarHBondContact O-CA 3.49Å; N128-K132 PolarHBondContact O-N 3.47Å; N128-K132 VanDerWaalsContact O-N 3.1Å; H130-K132 PolarHBondContact O-N 3.46Å; K132-K134 PolarHBondContact O-N 2.86Å
133	E	65.1	Low	74.3	Confident	106 Å²	106	77.9 Å²	77.9	50%	0.495	42%	0.415	S	S	.	.			trans	-73.4	128	-178.9	-78.7	-179.5	-173	0	0	109.9	N128 L131 P135	N128-E133 PolarHBondContact O-N 3.34Å; N128-E133 VanDerWaalsContact O-N 3.13Å; L131-E133 HydrophobicContact CB-CB 4.15Å; L131-E133 HydrophobicContact CB-CG 3.74Å; L131-E133 PolarHBondContact O-N 3.3Å; E133-P135 VanDerWaalsContact C-CD 3.4Å; E133-P135 VanDerWaalsContact O-CD 3.26Å; E133-P135 WeakPolarHBondContact O-CD 3.41Å
134	K	72.4	Confident	73.9	Confident	122 Å²	122	77.7 Å²	77.7	53%	0.53	42%	0.417	S	S	.	.			trans	-119.1	74.1	178.1	-74.2	168.6	172.3	-178.7	0	109	K132 Y136 G144 F145 M146	K132-K134 PolarHBondContact O-N 2.86Å; K134-Y136 PolarHBondContact O-N 3.07Å; K134-Y136 VanDerWaalsContact O-N 3.07Å; K134-G144 WeakPolarHBondContact CD-O 3.18Å; K134-F145 CarbonylContact C-O 3.34Å; K134-F145 WeakPolarHBondContact CA-O 3.16Å; K134-M146 HydrophobicContact CG-CG 4.4Å
135	P	73.3	Confident	73.8	Confident	74 Å²	74	75.9 Å²	75.9	48%	0.481	40%	0.403	S	S	.	.			trans	-64.4	-15.4	-173.1	23.1	-32.6	0	0	0	113.8	E133	E133-P135 VanDerWaalsContact C-CD 3.4Å; E133-P135 VanDerWaalsContact O-CD 3.26Å; E133-P135 WeakPolarHBondContact O-CD 3.41Å
136	Y	76.6	Confident	73.6	Confident	83 Å²	83	75.9 Å²	75.9	33%	0.325	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	112.8	-178	-52.5	-70.4	0	0	0	110.2	K134 G144 F145 L148	K134-Y136 PolarHBondContact O-N 3.07Å; K134-Y136 VanDerWaalsContact O-N 3.07Å; Y136-G144 CarbonylContact O-C 3.56Å; Y136-G144 WeakPolarHBondContact O-CA 3.18Å; Y136-F145 PolarHBondContact N-O 3.44Å; Y136-F145 PolarHBondContact O-N 3.45Å; Y136-L148 HydrophobicContact CD1-CD1 4.49Å; Y136-L148 HydrophobicContact CD1-CD2 3.2Å; Y136-L148 HydrophobicContact CD1-CG 3.53Å; Y136-L148 HydrophobicContact CD2-CG 4.39Å; Y136-L148 HydrophobicContact CE1-CD1 3.86Å; Y136-L148 HydrophobicContact CE1-CD2 3.43Å; Y136-L148 VanDerWaalsContact CE1-CD2 3.43Å; Y136-L148 HydrophobicContact CE1-CG 3.29Å; Y136-L148 HydrophobicContact CE2-CG 4.2Å; Y136-L148 HydrophobicContact CG-CD2 3.88Å; Y136-L148 HydrophobicContact CG-CG 4.06Å
137	T	79.9	Confident	73.3	Confident	91 Å²	91	78.2 Å²	78.2	56%	0.558	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.5	138.7	-179.1	51.9	0	0	0	0	111.3	S139	T137-S139 PolarHBondContact O-N 3.19Å
138	C	79.6	Confident	73.4	Confident	2 Å²	2	80.9 Å²	80.9	1%	0.014	43%	0.429	C	S	.	.			trans	-69.2	124.1	169.8	-175.3	0	0	0	0	110.1	V140 G142 R143 F145 L151 H154 H158	C138-V140 PolarHBondContact O-N 3.48Å; C138-V140 PolarHBondContact SG-N 2.7Å; C138-V140 VanDerWaalsContact SG-N 3.43Å; C138-G142 WeakPolarHBondContact O-CA 3.32Å; C138-G142 PolarHBondContact O-N 3.47Å; C138-R143 HydrophobicContact CB-CB 4.48Å; C138-R143 PolarHBondContact N-O 3.12Å; C138-F145 HydrophobicContact CB-CE2 4.28Å; C138-L151 VanDerWaalsContact CA-CD1 3.48Å; C138-L151 HydrophobicContact CB-CD1 3.73Å; C138-H154 PolarHBondContact SG-NE2 3.29Å; C138-H158 PolarHBondContact SG-NE2 3.41Å
139	S	81.6	Confident	73.6	Confident	103 Å²	103	82.6 Å²	82.6	72%	0.72	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-23.6	175.7	50.4	0	0	0	0	113.5	T137	T137-S139 PolarHBondContact O-N 3.19Å
140	V	77.9	Confident	73.7	Confident	97 Å²	97	80.9 Å²	80.9	59%	0.588	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-48	-176.7	-176.3	0	0	0	0	111.7	C138 H158	C138-V140 PolarHBondContact O-N 3.48Å; C138-V140 PolarHBondContact SG-N 2.7Å; C138-V140 VanDerWaalsContact SG-N 3.43Å; V140-H158 HydrophobicContact CG1-CB 4.26Å; V140-H158 HydrophobicContact CG2-CB 4.34Å
141	C	80.7	Confident	74	Confident	67 Å²	67	77.9 Å²	77.9	45%	0.453	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.4	7.6	-174	78.3	0	0	0	0	114.4	R143 H154	C141-R143 PolarHBondContact O-N 3.38Å; C141-R143 VanDerWaalsContact SG-CB 3.57Å; C141-H154 PolarHBondContact SG-NE2 3.44Å
142	G	73.9	Confident	74.2	Confident	58 Å²	58	75.1 Å²	75.1	60%	0.598	41%	0.411	S	S	*	.			trans	70.2	-0.6	178	0	0	0	0	0	115.6	C138 G144	C138-G142 WeakPolarHBondContact O-CA 3.32Å; C138-G142 PolarHBondContact O-N 3.47Å; G142-G144 PolarHBondContact O-N 2.78Å
143	R	72.3	Confident	74.5	Confident	155 Å²	155	70.8 Å²	70.8	59%	0.585	39%	0.394	S	S	*	.			trans	-66.1	125.3	-177	-174.8	172.7	-179.1	174.3	2.9	110.9	C138 C141 F145	C138-R143 HydrophobicContact CB-CB 4.48Å; C138-R143 PolarHBondContact N-O 3.12Å; C141-R143 PolarHBondContact O-N 3.38Å; C141-R143 VanDerWaalsContact SG-CB 3.57Å; R143-F145 HydrophobicContact CB-CE2 3.96Å; R143-F145 HydrophobicContact CB-CZ 4.36Å; R143-F145 HydrophobicContact CG-CE2 3.81Å; R143-F145 HydrophobicContact CG-CZ 3.88Å; R143-F145 VanDerWaalsContact O-CD2 3.24Å; R143-F145 WeakPolarHBondContact O-CD2 3.2Å; R143-F145 WeakPolarHBondContact O-CE2 3.36Å
144	G	71.9	Confident	75.1	Confident	14 Å²	14	67.1 Å²	67.1	14%	0.144	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	143.7	176.2	0	0	0	0	0	113.9	K134 Y136 G142	K134-G144 WeakPolarHBondContact CD-O 3.18Å; Y136-G144 CarbonylContact O-C 3.56Å; Y136-G144 WeakPolarHBondContact O-CA 3.18Å; G142-G144 PolarHBondContact O-N 2.78Å
145	F	73.6	Confident	75.2	Confident	30 Å²	30	64.8 Å²	64.8	13%	0.132	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	144.9	-179	-65	-93.1	0	0	0	110.3	K134 Y136 C138 R143 W147 G150 L151 H154	K134-F145 CarbonylContact C-O 3.34Å; K134-F145 WeakPolarHBondContact CA-O 3.16Å; Y136-F145 PolarHBondContact N-O 3.44Å; Y136-F145 PolarHBondContact O-N 3.45Å; C138-F145 HydrophobicContact CB-CE2 4.28Å; R143-F145 HydrophobicContact CB-CE2 3.96Å; R143-F145 HydrophobicContact CB-CZ 4.36Å; R143-F145 HydrophobicContact CG-CE2 3.81Å; R143-F145 HydrophobicContact CG-CZ 3.88Å; R143-F145 VanDerWaalsContact O-CD2 3.24Å; R143-F145 WeakPolarHBondContact O-CD2 3.2Å; R143-F145 WeakPolarHBondContact O-CE2 3.36Å; F145-W147 VanDerWaalsContact C-N 3.28Å; F145-W147 PolarHBondContact O-N 2.92Å; F145-G150 WeakPolarHBondContact CE1-O 3.44Å; F145-L151 HydrophobicContact CB-CB 4.16Å; F145-L151 HydrophobicContact CD2-CB 3.89Å; F145-L151 HydrophobicContact CD2-CD1 3.85Å; F145-L151 HydrophobicContact CD2-CG 4.47Å; F145-L151 HydrophobicContact CE2-CD1 3.99Å; F145-L151 HydrophobicContact CG-CB 4.01Å; F145-H154 HydrophobicContact CE1-CB 3.76Å; F145-H154 HydrophobicContact CE2-CB 4.05Å; F145-H154 AromaticContact CE2-CD2 3.37Å; F145-H154 WeakPolarHBondContact CE2-CD2 3.26Å; F145-H154 AromaticContact CE2-CG 3.82Å; F145-H154 HydrophobicContact CZ-CB 3.32Å; F145-H154 AromaticContact CZ-CD2 3.31Å; F145-H154 WeakPolarHBondContact CZ-CD2 3.24Å; F145-H154 AromaticContact CZ-CG 3.25Å
146	M	69.5	Low	75.6	Confident	69 Å²	69	66.7 Å²	66.7	34%	0.34	37%	0.368	S	S	.	.	S	Bend	trans	-77.5	-14.4	178.6	-68.4	178.8	-77.5	0	0	113	N128 S129 K134	N128-M146 HydrophobicContact CB-CB 4.16Å; N128-M146 HydrophobicContact CB-CG 4.24Å; N128-M146 PolarHBondContact ND2-O 2.72Å; N128-M146 VanDerWaalsContact ND2-O 3.09Å; S129-M146 VanDerWaalsContact CA-SD 3.55Å; K134-M146 HydrophobicContact CG-CG 4.4Å
147	W	72.6	Confident	75.6	Confident	90 Å²	90	65.6 Å²	65.6	34%	0.341	37%	0.372	S	S	.	.	S	Bend	trans	-152.1	154.4	-178.6	66.4	64.7	0	0	0	113.2	R125 F145 G150 L151 F225	R125-W147 HydrophobicContact CG-CB 4.19Å; R125-W147 HydrophobicContact CG-CD2 3.95Å; R125-W147 HydrophobicContact CG-CE3 3.1Å; R125-W147 HydrophobicContact CG-CG 4.43Å; R125-W147 HydrophobicContact CG-CZ3 3.58Å; F145-W147 VanDerWaalsContact C-N 3.28Å; F145-W147 PolarHBondContact O-N 2.92Å; W147-G150 VanDerWaalsContact NE1-N 3.13Å; W147-G150 PolarHBondContact O-N 2.72Å; W147-L151 PolarHBondContact O-N 3.14Å; W147-F225 HydrophobicContact CZ2-CE2 4.43Å; W147-F225 HydrophobicContact CZ2-CZ 4.21Å
148	L	72.9	Confident	75.3	Confident	97 Å²	97	63.4 Å²	63.4	51%	0.508	36%	0.356	S	S	.	.	H	α-helix	trans	-61.9	-48.5	-175.5	-79.6	168.7	0	0	0	115.1	Y136 G150 L151 A152	Y136-L148 HydrophobicContact CD1-CD1 4.49Å; Y136-L148 HydrophobicContact CD1-CD2 3.2Å; Y136-L148 HydrophobicContact CD1-CG 3.53Å; Y136-L148 HydrophobicContact CD2-CG 4.39Å; Y136-L148 HydrophobicContact CE1-CD1 3.86Å; Y136-L148 HydrophobicContact CE1-CD2 3.43Å; Y136-L148 VanDerWaalsContact CE1-CD2 3.43Å; Y136-L148 HydrophobicContact CE1-CG 3.29Å; Y136-L148 HydrophobicContact CE2-CG 4.2Å; Y136-L148 HydrophobicContact CG-CD2 3.88Å; Y136-L148 HydrophobicContact CG-CG 4.06Å; L148-G150 PolarHBondContact O-N 3.04Å; L148-L151 WeakPolarHBondContact O-CA 3.48Å; L148-L151 WeakPolarHBondContact O-CB 3.39Å; L148-L151 PolarHBondContact O-N 3.03Å; L148-A152 PolarHBondContact O-N 3.4Å
149	P	75.9	Confident	74.6	Confident	61 Å²	61	68.4 Å²	68.4	40%	0.396	39%	0.387	S	S	.	.	H	α-helix	trans	-64	-25.5	-177.2	-30.7	41.6	0	0	0	114.8	A152 E153 F225	P149-A152 PolarHBondContact O-N 3.4Å; P149-E153 WeakPolarHBondContact O-CB 3.49Å; P149-E153 PolarHBondContact O-N 2.92Å; P149-F225 HydrophobicContact CB-CD1 4.48Å; P149-F225 HydrophobicContact CB-CE1 3.55Å; P149-F225 HydrophobicContact CB-CZ 4.21Å; P149-F225 HydrophobicContact CG-CE1 3.77Å
150	G	71.8	Confident	73.2	Confident	18 Å²	18	70.2 Å²	70.2	19%	0.186	39%	0.388	C	S	.	.	H	α-helix	trans	-73.4	-36	175.2	0	0	0	0	0	111.4	F145 W147 L148 H154	F145-G150 WeakPolarHBondContact CE1-O 3.44Å; W147-G150 VanDerWaalsContact NE1-N 3.13Å; W147-G150 PolarHBondContact O-N 2.72Å; L148-G150 PolarHBondContact O-N 3.04Å; G150-H154 WeakPolarHBondContact O-CB 3.46Å; G150-H154 PolarHBondContact O-N 3.06Å; G150-H154 VanDerWaalsContact O-N 3.08Å
151	L	76.1	Confident	71.8	Confident	14 Å²	14	69.7 Å²	69.7	7%	0.073	39%	0.385	C	S	.	.	H	α-helix	trans	-64	-47.6	167.4	169.2	62.1	0	0	0	110.7	C138 F145 W147 L148 E153 H154 Q155	C138-L151 VanDerWaalsContact CA-CD1 3.48Å; C138-L151 HydrophobicContact CB-CD1 3.73Å; F145-L151 HydrophobicContact CB-CB 4.16Å; F145-L151 HydrophobicContact CD2-CB 3.89Å; F145-L151 HydrophobicContact CD2-CD1 3.85Å; F145-L151 HydrophobicContact CD2-CG 4.47Å; F145-L151 HydrophobicContact CE2-CD1 3.99Å; F145-L151 HydrophobicContact CG-CB 4.01Å; W147-L151 PolarHBondContact O-N 3.14Å; L148-L151 WeakPolarHBondContact O-CA 3.48Å; L148-L151 WeakPolarHBondContact O-CB 3.39Å; L148-L151 PolarHBondContact O-N 3.03Å; L151-E153 VanDerWaalsContact C-N 3.34Å; L151-E153 PolarHBondContact O-N 2.89Å; L151-H154 CarbonylContact O-C 3.52Å; L151-H154 WeakPolarHBondContact O-CB 3.36Å; L151-H154 PolarHBondContact O-N 3.18Å; L151-Q155 HydrophobicContact CD1-CG 3.88Å; L151-Q155 HydrophobicContact CG-CG 4.31Å; L151-Q155 WeakPolarHBondContact O-CB 3.27Å; L151-Q155 WeakPolarHBondContact O-CG 3.5Å; L151-Q155 PolarHBondContact O-N 2.83Å
152	A	73.6	Confident	70.1	Confident	46 Å²	46	75.4 Å²	75.4	38%	0.38	41%	0.405	S	S	.	.	H	α-helix	trans	-60.6	-41.6	-178.9	0	0	0	0	0	112.3	L148 P149 Q155 K156	L148-A152 PolarHBondContact O-N 3.4Å; P149-A152 PolarHBondContact O-N 3.4Å; A152-Q155 PolarHBondContact O-N 3.17Å; A152-K156 PolarHBondContact O-N 3.49Å
153	E	73.1	Confident	68.4	Low	90 Å²	90	78.2 Å²	78.2	42%	0.421	42%	0.416	S	S	.	.	H	α-helix	trans	-66.1	-43.4	175	-169.1	60.6	-157	0	0	111.6	P149 L151 Q155 K156	P149-E153 WeakPolarHBondContact O-CB 3.49Å; P149-E153 PolarHBondContact O-N 2.92Å; L151-E153 VanDerWaalsContact C-N 3.34Å; L151-E153 PolarHBondContact O-N 2.89Å; E153-Q155 VanDerWaalsContact C-N 3.27Å; E153-Q155 PolarHBondContact O-N 3.42Å; E153-K156 WeakPolarHBondContact O-CB 3.33Å; E153-K156 PolarHBondContact O-N 2.78Å; E153-K156 WeakPolarHBondContact OE2-CE 3.43Å; E153-K156 IonicContact OE2-NZ 3.98Å; E153-K156 PolarHBondContact OE2-NZ 2.82Å
154	H	78.1	Confident	66.5	Low	29 Å²	29	80.6 Å²	80.6	13%	0.134	43%	0.426	C	S	.	.	H	α-helix	trans	-61.9	-35.7	173.8	168.3	64.3	0	0	0	112.3	C138 C141 F145 G150 L151 K156 S157 H158	C138-H154 PolarHBondContact SG-NE2 3.29Å; C141-H154 PolarHBondContact SG-NE2 3.44Å; F145-H154 HydrophobicContact CE1-CB 3.76Å; F145-H154 HydrophobicContact CE2-CB 4.05Å; F145-H154 AromaticContact CE2-CD2 3.37Å; F145-H154 WeakPolarHBondContact CE2-CD2 3.26Å; F145-H154 AromaticContact CE2-CG 3.82Å; F145-H154 HydrophobicContact CZ-CB 3.32Å; F145-H154 AromaticContact CZ-CD2 3.31Å; F145-H154 WeakPolarHBondContact CZ-CD2 3.24Å; F145-H154 AromaticContact CZ-CG 3.25Å; G150-H154 WeakPolarHBondContact O-CB 3.46Å; G150-H154 PolarHBondContact O-N 3.06Å; G150-H154 VanDerWaalsContact O-N 3.08Å; L151-H154 CarbonylContact O-C 3.52Å; L151-H154 WeakPolarHBondContact O-CB 3.36Å; L151-H154 PolarHBondContact O-N 3.18Å; H154-K156 PolarHBondContact O-N 2.67Å; H154-S157 PolarHBondContact ND1-OG 3.24Å; H154-S157 WeakPolarHBondContact O-CB 3.28Å; H154-S157 PolarHBondContact O-N 2.88Å; H154-S157 PolarHBondContact O-OG 3.17Å; H154-H158 AromaticContact CD2-NE2 3.81Å; H154-H158 AromaticContact CE1-CE1 3.83Å; H154-H158 AromaticContact CE1-NE2 3.26Å; H154-H158 PolarHBondContact CE1-NE2 3.35Å; H154-H158 VanDerWaalsContact CE1-NE2 3.26Å; H154-H158 AromaticContact NE2-CD2 3.92Å; H154-H158 AromaticContact NE2-CE1 3.9Å; H154-H158 AromaticContact NE2-NE2 3Å; H154-H158 PolarHBondContact NE2-NE2 3.08Å
155	Q	75.2	Confident	64.9	Low	73 Å²	73	87.9 Å²	87.9	34%	0.341	46%	0.456	S	S	.	.	H	α-helix	trans	-62.5	-29.8	178.1	-78.8	172.5	-40.6	0	0	112.8	L151 A152 E153 S157 H158	L151-Q155 HydrophobicContact CD1-CG 3.88Å; L151-Q155 HydrophobicContact CG-CG 4.31Å; L151-Q155 WeakPolarHBondContact O-CB 3.27Å; L151-Q155 WeakPolarHBondContact O-CG 3.5Å; L151-Q155 PolarHBondContact O-N 2.83Å; A152-Q155 PolarHBondContact O-N 3.17Å; E153-Q155 VanDerWaalsContact C-N 3.27Å; E153-Q155 PolarHBondContact O-N 3.42Å; Q155-S157 PolarHBondContact O-N 2.86Å; Q155-H158 WeakPolarHBondContact O-CB 3.33Å; Q155-H158 PolarHBondContact O-N 3.41Å; Q155-H158 VanDerWaalsContact O-N 3.1Å
156	K	79.9	Confident	63.5	Low	113 Å²	113	92.3 Å²	92.3	49%	0.491	49%	0.491	S	S	.	.	H	α-helix	trans	-64.6	-27.1	172.7	-59.7	172.6	-172.7	169.1	0	112.6	A152 E153 H154 H158 T159	A152-K156 PolarHBondContact O-N 3.49Å; E153-K156 WeakPolarHBondContact O-CB 3.33Å; E153-K156 PolarHBondContact O-N 2.78Å; E153-K156 WeakPolarHBondContact OE2-CE 3.43Å; E153-K156 IonicContact OE2-NZ 3.98Å; E153-K156 PolarHBondContact OE2-NZ 2.82Å; H154-K156 PolarHBondContact O-N 2.67Å; K156-H158 PolarHBondContact O-N 3.25Å; K156-T159 WeakPolarHBondContact CA-OG1 3.42Å; K156-T159 PolarHBondContact O-N 2.71Å; K156-T159 PolarHBondContact O-OG1 2.89Å
157	S	78.3	Confident	62	Low	60 Å²	60	92.3 Å²	92.3	42%	0.42	50%	0.502	S	S	.	.	H	α-helix	trans	-68.2	-19.1	175	71.1	0	0	0	0	113.4	H154 Q155	H154-S157 PolarHBondContact ND1-OG 3.24Å; H154-S157 WeakPolarHBondContact O-CB 3.28Å; H154-S157 PolarHBondContact O-N 2.88Å; H154-S157 PolarHBondContact O-OG 3.17Å; Q155-S157 PolarHBondContact O-N 2.86Å
158	H	72.9	Confident	60.3	Low	45 Å²	45	95.6 Å²	95.6	21%	0.208	53%	0.526	C	S	.	.	H	α-helix	trans	-86.7	-20.7	173.6	-62.1	-61.1	0	0	0	112.9	C138 V140 H154 Q155 K156 D160 T161	C138-H158 PolarHBondContact SG-NE2 3.41Å; V140-H158 HydrophobicContact CG1-CB 4.26Å; V140-H158 HydrophobicContact CG2-CB 4.34Å; H154-H158 AromaticContact CD2-NE2 3.81Å; H154-H158 AromaticContact CE1-CE1 3.83Å; H154-H158 AromaticContact CE1-NE2 3.26Å; H154-H158 PolarHBondContact CE1-NE2 3.35Å; H154-H158 VanDerWaalsContact CE1-NE2 3.26Å; H154-H158 AromaticContact NE2-CD2 3.92Å; H154-H158 AromaticContact NE2-CE1 3.9Å; H154-H158 AromaticContact NE2-NE2 3Å; H154-H158 PolarHBondContact NE2-NE2 3.08Å; Q155-H158 WeakPolarHBondContact O-CB 3.33Å; Q155-H158 PolarHBondContact O-N 3.41Å; Q155-H158 VanDerWaalsContact O-N 3.1Å; K156-H158 PolarHBondContact O-N 3.25Å; H158-D160 VanDerWaalsContact C-N 3.32Å; H158-T161 PolarHBondContact O-OG1 3.44Å
159	T	64.8	Low	58.8	Low	108 Å²	108	97.9 Å²	97.9	66%	0.663	53%	0.534	S	S	*	.	H	α-helix	trans	-78.8	-16.5	178.9	54.7	0	0	0	0	113.1	K156	K156-T159 WeakPolarHBondContact CA-OG1 3.42Å; K156-T159 PolarHBondContact O-N 2.71Å; K156-T159 PolarHBondContact O-OG1 2.89Å
160	D	52.6	Low	56.8	Low	141 Å²	141	103.2 Å²	103.2	75%	0.754	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	0.8	176	-69.2	-25.4	0	0	0	113.3	H158	H158-D160 VanDerWaalsContact C-N 3.32Å
161	T	47.2	Very low	55.2	Low	86 Å²	86	109.7 Å²	109.7	53%	0.528	59%	0.585	S	S	.	*			trans	-129.8	68.7	-176.9	58.3	0	0	0	0	111.3	H158	H158-T161 PolarHBondContact O-OG1 3.44Å
162	E	44.9	Very low	53.1	Low	186 Å²	186	117.8 Å²	117.8	87%	0.869	62%	0.623	S	S	*	*			trans	-70.7	125.2	145.9	-69.7	-165.4	156.5	0	0	107.3
163	S	38.3	Very low	51	Low	117 Å²	117	121 Å²	121	82%	0.818	64%	0.637	S	S	*	*	S	Bend	trans	85.9	88.6	-175	77.6	0	0	0	0	116.7
164	Y	32.8	Very low	49.2	Very low	206 Å²	206	122.5 Å²	122.5	81%	0.808	66%	0.658	S	S	*	*				169.8	126.9	121.9	156.8	-118.8	0	0	0	109.9
165	E	38.8	Very low	46.9	Very low	166 Å²	166	128.7 Å²	128.7	78%	0.776	69%	0.691	S	S	*	*			trans	-58.4	151.8	-178.1	-66.4	170.7	141.1	0	0	114.5
166	S	43.4	Very low	44.6	Very low	124 Å²	124	129.4 Å²	129.4	87%	0.867	71%	0.71	S	S	*	*			trans	-39.7	139.4	172.1	-39.9	0	0	0	0	115.4
167	A	37.8	Very low	42.1	Very low	69 Å²	69	131.8 Å²	131.8	57%	0.57	73%	0.727	S	S	*	*			trans	-151.8	128.4	144.2	0	0	0	0	0	111.2
168	D	37	Very low	39.8	Very low	158 Å²	158	134.9 Å²	134.9	85%	0.845	75%	0.745	S	S	*	*			trans	87.3	95.9	152.5	-53.2	-27.3	0	0	0	120.6
169	H	42.8	Very low	37.6	Very low	145 Å²	145	141.2 Å²	141.2	67%	0.671	78%	0.775	S	S	*	*			trans	-5.4	136.3	135.9	-99.8	-3.4	0	0	0	117.8
170	D	32.4	Very low	35.8	Very low	173 Å²	173	144.1 Å²	144.1	93%	0.925	78%	0.781	S	S	*	*				-131.4	119.9	120	-87.8	-44.7	0	0	0	109.2
171	Q	38.6	Very low	34.5	Very low	154 Å²	154	149.3 Å²	149.3	72%	0.72	79%	0.79	S	S	*	*			trans	-68.9	147	168.2	-81	171.4	-35	0	0	110
172	E	32.3	Very low	33.3	Very low	185 Å²	185	148 Å²	148	86%	0.864	79%	0.793	S	S	*	*				-150	103.6	125	-111.7	-175.7	162.5	0	0	110.4
173	T	30.4	Very low	32.3	Very low	113 Å²	113	144.5 Å²	144.5	69%	0.693	79%	0.79	S	S	*	*			trans	55.6	100.5	137.9	43.6	0	0	0	0	120.4
174	S	34.8	Very low	31.5	Very low	121 Å²	121	143.4 Å²	143.4	85%	0.846	78%	0.782	S	S	*	*			trans	-70.6	128.9	138.9	24.5	0	0	0	0	110.6
175	L	30.2	Very low	31.1	Very low	159 Å²	159	140.9 Å²	140.9	83%	0.832	78%	0.783	S	S	*	*			trans	-137.6	113.4	158.9	-84	173.9	0	0	0	110.3
176	A	26.9	Very low	30.4	Very low	89 Å²	89	139.1 Å²	139.1	74%	0.736	78%	0.784	S	S	*	*			trans	32.3	123.5	143.5	0	0	0	0	0	120.7
177	L	27.1	Very low	29.7	Very low	163 Å²	163	138.7 Å²	138.7	85%	0.853	78%	0.778	S	S	*	*			trans	-51.8	151.3	146.7	-67	163.2	0	0	0	111.2
178	P	30.1	Very low	29.1	Very low	124 Å²	124	140.2 Å²	140.2	81%	0.805	78%	0.784	S	S	*	*			trans	-120.2	137.3	132.5	6.9	12.9	0	0	0	111.8
179	E	26.3	Very low	28.6	Very low	179 Å²	179	141.6 Å²	141.6	84%	0.836	79%	0.785	S	S	*	*			trans	-69.3	137.7	167.4	-70.9	-179.9	134.5	0	0	112.2
180	E	26.5	Very low	27.8	Very low	168 Å²	168	142 Å²	142	79%	0.785	79%	0.788	S	S	*	*			trans	53.6	116.3	137.3	-58.4	-61.7	133.3	0	0	121.6
181	R	25.8	Very low	27.5	Very low	250 Å²	250	138.8 Å²	138.8	94%	0.943	79%	0.785	S	S	*	*				-156.4	101.3	121.5	-144.3	176.8	-84.1	-175.8	-5.7	113.3
182	G	22.2	Very low	26.9	Very low	58 Å²	58	138.5 Å²	138.5	60%	0.598	78%	0.783	S	S	*	*			trans	38.8	124.3	139.4	0	0	0	0	0	121.8
183	S	22.7	Very low	26.5	Very low	114 Å²	114	135.8 Å²	135.8	80%	0.797	78%	0.783	S	S	*	*				175.4	122.7	97.6	-72.1	0	0	0	0	111.7
184	S	22.2	Very low	26.2	Very low	94 Å²	94	137.2 Å²	137.2	66%	0.657	79%	0.791	S	S	*	*			trans	32	114.9	139.7	62.6	0	0	0	0	119.4
185	D	24.7	Very low	25.7	Very low	152 Å²	152	134.6 Å²	134.6	81%	0.813	78%	0.784	S	S	*	*				170.7	119.5	99.1	-83.6	-39.3	0	0	0	110.3
186	T	24.4	Very low	25.4	Very low	130 Å²	130	133.3 Å²	133.3	80%	0.798	78%	0.783	S	S	*	*			trans	-102	149.2	149.4	63.7	0	0	0	0	105.5
187	P	28.7	Very low	25.3	Very low	114 Å²	114	134.2 Å²	134.2	74%	0.74	78%	0.784	S	S	*	*				-144.7	152.2	81.5	31.2	-11.5	0	0	0	114.7
188	S	24.2	Very low	25.1	Very low	101 Å²	101	135.4 Å²	135.4	71%	0.706	79%	0.785	S	S	*	*			trans	47.7	118.8	130.1	-152.7	0	0	0	0	118
189	Q	26.9	Very low	24.8	Very low	187 Å²	187	138.2 Å²	138.2	87%	0.874	79%	0.787	S	S	*	*				-171.5	131.4	109.1	-99	163.9	4.8	0	0	113.5
190	H	27.1	Very low	25	Very low	155 Å²	155	135 Å²	135	72%	0.718	78%	0.782	S	S	*	*			trans	-43.6	134.2	157.6	-155.1	-105.2	0	0	0	112.5	Q192	H190-Q192 PolarHBondContact CE1-OE1 3.49Å
191	A	26.2	Very low	24.8	Very low	104 Å²	104	132.3 Å²	132.3	86%	0.86	78%	0.781	S	S	*	*			trans	-144.4	91.2	155.5	0	0	0	0	0	109.7
192	Q	25.1	Very low	24.8	Very low	149 Å²	149	129 Å²	129	70%	0.696	78%	0.777	S	S	*	*			trans	-81.3	141.2	153.5	-85.8	168.9	-34	0	0	109.2	H190	H190-Q192 PolarHBondContact CE1-OE1 3.49Å
193	C	23.8	Very low	25.3	Very low	128 Å²	128	132.2 Å²	132.2	87%	0.865	79%	0.787	S	S	*	*			trans	-176.6	113.7	143.3	-94.2	0	0	0	0	105.3
194	V	24.7	Very low	25.3	Very low	142 Å²	142	131.2 Å²	131.2	86%	0.861	79%	0.786	S	S	*	*				70	117.9	61.5	-173.8	0	0	0	0	114.1
195	G	23.8	Very low	25.4	Very low	66 Å²	66	134.3 Å²	134.3	68%	0.68	79%	0.794	S	S	*	*			trans	81.8	137.3	163.3	0	0	0	0	0	114.2
196	T	23.3	Very low	25.6	Very low	133 Å²	133	132.8 Å²	132.8	82%	0.816	79%	0.793	S	S	*	*			cis	-158.4	156.4	28	39.2	0	0	0	0	110.9
197	S	24.5	Very low	25.6	Very low	108 Å²	108	131.9 Å²	131.9	76%	0.755	78%	0.783	S	S	*	*			trans	-51.9	137.3	161.6	48	0	0	0	0	112.8
198	E	23.9	Very low	25.4	Very low	187 Å²	187	134.5 Å²	134.5	87%	0.874	78%	0.782	S	S	*	*			trans	-169.5	126.8	143.7	-105.7	167.7	167.9	0	0	110.3
199	Q	23.8	Very low	25.5	Very low	184 Å²	184	136.5 Å²	136.5	86%	0.86	79%	0.785	S	S	*	*			trans	-77.1	156.8	153.4	-63.8	-175.3	-94.6	0	0	107.5
200	P	29.6	Very low	25.3	Very low	112 Å²	112	134.2 Å²	134.2	73%	0.727	78%	0.779	S	S	*	*				-155.4	163	89.7	37.7	-17.1	0	0	0	117.5
201	S	23.7	Very low	25.4	Very low	110 Å²	110	135 Å²	135	77%	0.769	78%	0.783	S	S	*	*			trans	67.7	127.6	139.7	51.7	0	0	0	0	124.1
202	E	24.5	Very low	25.3	Very low	182 Å²	182	139.6 Å²	139.6	85%	0.85	78%	0.783	S	S	*	*			trans	-47.5	160.2	151.5	-110.9	177.8	172.6	0	0	113.8
203	P	33.1	Very low	25.3	Very low	124 Å²	124	141 Å²	141	81%	0.805	79%	0.79	S	S	*	*				-154.2	171.8	70.8	39.9	-18.7	0	0	0	119.5
204	A	22.6	Very low	25.3	Very low	94 Å²	94	142.6 Å²	142.6	78%	0.777	79%	0.79	S	S	*	*			trans	93.2	121.9	143.2	0	0	0	0	0	121.7
205	L	24.8	Very low	25.5	Very low	159 Å²	159	140 Å²	140	83%	0.832	78%	0.783	S	S	*	*			trans	-67.8	167.1	163.8	-69.1	161.2	0	0	0	112.1
206	P	28.6	Very low	25.7	Very low	120 Å²	120	146 Å²	146	78%	0.779	79%	0.791	S	S	*	*				-137.7	154.4	93.4	28.5	-10	0	0	0	117.3
207	D	24.1	Very low	25.9	Very low	110 Å²	110	148.1 Å²	148.1	59%	0.588	79%	0.791	S	S	*	*			trans	-9.1	130.4	159.2	-71.9	-67.5	0	0	0	120.7
208	K	25.7	Very low	25.9	Very low	169 Å²	169	147.1 Å²	147.1	74%	0.735	78%	0.783	S	S	*	*				69	131.9	96.7	-66.6	-177.3	-168.6	132	0	113.2
209	D	25.7	Very low	26.1	Very low	143 Å²	143	142.8 Å²	142.8	77%	0.765	77%	0.773	S	S	*	*			cis	-164.7	174.3	30.5	-94.1	-42	0	0	0	110.1
210	N	23.7	Very low	26.3	Very low	140 Å²	140	139 Å²	139	75%	0.749	76%	0.758	S	S	*	*			trans	78.6	121.1	167.9	-84.5	-19.5	0	0	0	117.3
211	H	27.4	Very low	26.2	Very low	172 Å²	172	136.4 Å²	136.4	80%	0.796	74%	0.738	S	S	*	*			cis	-145.2	136.8	19.3	-109.4	-8	0	0	0	109.7
212	K	25.7	Very low	26.6	Very low	199 Å²	199	134.1 Å²	134.1	87%	0.865	72%	0.717	S	S	*	*			trans	-102.7	107.7	169.9	-172.6	-175	-170.5	-177.3	0	106.1
213	E	24.3	Very low	27.1	Very low	180 Å²	180	131.2 Å²	131.2	84%	0.841	70%	0.703	S	S	*	*			trans	176.7	85.7	150.2	-101.1	170.5	-178.1	0	0	111.2
214	N	24.3	Very low	27	Very low	161 Å²	161	129.5 Å²	129.5	86%	0.861	69%	0.687	S	S	*	*				172.9	93.9	113.7	-103.7	-28.2	0	0	0	110
215	A	28.4	Very low	27.6	Very low	87 Å²	87	129.1 Å²	129.1	72%	0.719	67%	0.668	S	S	*	*			trans	-69.8	127.8	158.9	0	0	0	0	0	108.9
216	K	27.8	Very low	27.9	Very low	193 Å²	193	131.1 Å²	131.1	84%	0.839	67%	0.67	S	S	*	*			trans	169.8	123.9	130	-88.8	154.7	-169.2	-178	0	111.5
217	H	27.9	Very low	27.9	Very low	177 Å²	177	127.9 Å²	127.9	82%	0.819	65%	0.651	S	S	*	*			trans	70.1	125.5	166	-73.1	69.6	0	0	0	116.4
218	C	24	Very low	28.2	Very low	87 Å²	87	130.7 Å²	130.7	59%	0.588	66%	0.658	S	S	*	*			cis	-148.3	115.4	28.3	-148.7	0	0	0	0	109.4	I220	C218-I220 PolarHBondContact O-N 3.43Å; C218-I220 VanDerWaalsContact O-N 3.07Å
219	S	28.3	Very low	28.5	Very low	95 Å²	95	127.5 Å²	127.5	66%	0.664	66%	0.657	S	S	*	*			trans	-68.1	103.1	163.9	-60.4	0	0	0	0	106.9	D221	S219-D221 PolarHBondContact O-N 2.74Å
220	I	28.8	Very low	29.2	Very low	106 Å²	106	132.1 Å²	132.1	54%	0.544	66%	0.664	S	S	.	*			trans	-66.6	98.3	166.6	-57.7	-173.9	0	0	0	105.6	C218 F231	C218-I220 PolarHBondContact O-N 3.43Å; C218-I220 VanDerWaalsContact O-N 3.07Å; I220-F231 HydrophobicContact CB-CE1 4.41Å; I220-F231 HydrophobicContact CD1-CD1 4.42Å; I220-F231 HydrophobicContact CD1-CE1 3.85Å; I220-F231 HydrophobicContact CD1-CZ 4.47Å; I220-F231 HydrophobicContact CG1-CE1 3.81Å; I220-F231 HydrophobicContact CG1-CZ 4.49Å; I220-F231 HydrophobicContact CG2-CE1 3.97Å; I220-F231 HydrophobicContact CG2-CZ 3.78Å
221	D	26.4	Very low	29.9	Very low	57 Å²	57	131.3 Å²	131.3	31%	0.305	65%	0.654	S	S	.	*			trans	-66.7	129.6	177.6	-79.4	-59.6	0	0	0	109.7	K87 S219 E223 D224	K87-D221 IonicContact NZ-OD1 3.95Å; K87-D221 PolarHBondContact NZ-OD1 2.99Å; K87-D221 IonicContact NZ-OD2 2.72Å; K87-D221 PolarHBondContact NZ-OD2 3.17Å; S219-D221 PolarHBondContact O-N 2.74Å; D221-E223 PolarHBondContact O-N 2.82Å; D221-D224 PolarHBondContact O-N 3.4Å
222	D	33.7	Very low	30.7	Very low	61 Å²	61	131.9 Å²	131.9	33%	0.326	65%	0.654	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.2	23.5	176.3	-75.5	-64.7	0	0	0	113.6	I101 R118 H122	I101-D222 HydrophobicContact CD1-CB 4.05Å; R118-D222 IonicContact NH1-OD2 2.72Å; R118-D222 PolarHBondContact NH1-OD2 2.88Å; H122-D222 IonicContact CE1-OD1 3.58Å
223	E	33.3	Very low	31.7	Very low	122 Å²	122	125.7 Å²	125.7	57%	0.57	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.1	12.8	177.5	-69	-75.2	135	0	0	113.1	D221	D221-E223 PolarHBondContact O-N 2.82Å
224	D	31.1	Very low	32.7	Very low	87 Å²	87	119.7 Å²	119.7	47%	0.465	61%	0.608	S	S	.	*			trans	-107.6	32.8	172.8	-111.1	-28.6	0	0	0	113.3	D221 F226 S227	D221-D224 PolarHBondContact O-N 3.4Å; D224-F226 PolarHBondContact O-N 3.15Å; D224-S227 PolarHBondContact OD1-OG 3Å
225	F	36.3	Very low	33.8	Very low	86 Å²	86	118.1 Å²	118.1	38%	0.377	60%	0.595	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.1	0.7	169.6	-156.2	-105	0	0	0	113	W147 P149	W147-F225 HydrophobicContact CZ2-CE2 4.43Å; W147-F225 HydrophobicContact CZ2-CZ 4.21Å; P149-F225 HydrophobicContact CB-CD1 4.48Å; P149-F225 HydrophobicContact CB-CE1 3.55Å; P149-F225 HydrophobicContact CB-CZ 4.21Å; P149-F225 HydrophobicContact CG-CE1 3.77Å
226	F	31	Very low	34.8	Very low	201 Å²	201	114.1 Å²	114.1	88%	0.882	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.6	10.5	175.2	-87	-75.4	0	0	0	115.3	D224	D224-F226 PolarHBondContact O-N 3.15Å
227	S	27.4	Very low	36.1	Very low	53 Å²	53	112.6 Å²	112.6	37%	0.371	56%	0.562	S	S	.	*			trans	-139.2	95.5	170.3	88.1	0	0	0	0	112.6	D224 S229	D224-S227 PolarHBondContact OD1-OG 3Å; S227-S229 PolarHBondContact O-N 3.26Å
228	F	30.2	Very low	37.3	Very low	168 Å²	168	109.2 Å²	109.2	74%	0.737	55%	0.55	S	S	*	.			trans	-77.1	23.4	179.4	-106.8	-81.1	0	0	0	114.3
229	S	32.2	Very low	38.7	Very low	102 Å²	102	106.9 Å²	106.9	71%	0.713	53%	0.534	S	S	*	.	S	Bend	trans	-127.3	23.3	-162.6	-54.7	0	0	0	0	116.7	S227	S227-S229 PolarHBondContact O-N 3.26Å
230	R	40.4	Very low	39.8	Very low	240 Å²	240	109.8 Å²	109.8	91%	0.906	54%	0.542	S	S	*	.			trans	-166	40.3	174.6	-116.5	164.7	-157.4	166.4	5.1	120.9	K232	R230-K232 PolarHBondContact O-N 3.34Å
231	F	39.5	Very low	40.5	Very low	124 Å²	124	109.8 Å²	109.8	54%	0.544	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-74.7	120.3	166.3	-80.6	-79.4	0	0	0	111.3	I220	I220-F231 HydrophobicContact CB-CE1 4.41Å; I220-F231 HydrophobicContact CD1-CD1 4.42Å; I220-F231 HydrophobicContact CD1-CE1 3.85Å; I220-F231 HydrophobicContact CD1-CZ 4.47Å; I220-F231 HydrophobicContact CG1-CE1 3.81Å; I220-F231 HydrophobicContact CG1-CZ 4.49Å; I220-F231 HydrophobicContact CG2-CE1 3.97Å; I220-F231 HydrophobicContact CG2-CZ 3.78Å
232	K	43.8	Very low	41.2	Very low	184 Å²	184	110.3 Å²	110.3	80%	0.8	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-71.8	123.8	170.1	-169.5	175.3	-178.3	-177.7	0	107.9	R230	R230-K232 PolarHBondContact O-N 3.34Å
233	P	46.3	Very low	41.8	Very low	68 Å²	68	108.6 Å²	108.6	44%	0.442	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-68	140.2	-175.1	30.1	-36.2	0	0	0	110.6
234	L	45.5	Very low	41.9	Very low	55 Å²	55	107.6 Å²	107.6	29%	0.288	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	123.5	-177.1	-62.1	171.3	0	0	0	109.7	T242 F243 F246 L249	L234-T242 CarbonylContact O-C 3.54Å; L234-T242 VanDerWaalsContact O-CA 3.32Å; L234-T242 WeakPolarHBondContact O-CA 3.49Å; L234-F243 PolarHBondContact N-O 3.27Å; L234-F243 PolarHBondContact O-N 2.96Å; L234-F246 HydrophobicContact CD1-CB 3.91Å; L234-F246 HydrophobicContact CD1-CD2 4.48Å; L234-L249 HydrophobicContact CB-CD2 4Å
235	Q	47.4	Very low	42.5	Very low	127 Å²	127	105.3 Å²	105.3	59%	0.593	53%	0.53	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.3	135.8	-176.6	-49.7	-169.7	-66.8	0	0	110.5	M241 T242	Q235-M241 CarbonylContact C-O 3.59Å; Q235-M241 WeakPolarHBondContact CA-O 2.78Å; Q235-T242 HydrophobicContact CB-CG2 4.48Å; Q235-T242 HydrophobicContact CG-CG2 3.77Å
236	C	49.5	Very low	42.7	Very low	3 Å²	3	107.9 Å²	107.9	2%	0.02	54%	0.542	C	S	.	.	P	Polyproline II helix	trans	-70.2	141.6	168.7	173.8	0	0	0	0	109.4	D238 C239 M241 F243 L249 H252 H256	C236-D238 PolarHBondContact SG-N 3.45Å; C236-C239 CarbonylContact C-O 3.5Å; C236-C239 VanDerWaalsContact C-O 3.3Å; C236-C239 WeakPolarHBondContact CB-O 3.35Å; C236-C239 CarbonylContact O-C 3.36Å; C236-M241 PolarHBondContact N-O 2.57Å; C236-F243 HydrophobicContact CB-CE2 4.09Å; C236-L249 HydrophobicContact CB-CD1 3.7Å; C236-H252 VanDerWaalsContact SG-CD2 3.57Å; C236-H252 PolarHBondContact SG-NE2 3.43Å; C236-H256 PolarHBondContact SG-NE2 2.82Å; C236-H256 VanDerWaalsContact SG-NE2 3.37Å
237	L	55.5	Low	43.1	Very low	161 Å²	161	102.4 Å²	102.4	84%	0.843	53%	0.528	S	S	*	.	S	Bend	trans	-86.6	-20.9	-177.8	-66.1	172.1	0	0	0	112.3
238	D	52.8	Low	43.7	Very low	106 Å²	106	104.3 Å²	104.3	57%	0.567	53%	0.532	S	S	*	.	S	Bend	trans	-94.6	-16.4	-179	-48.5	-66.6	0	0	0	112	C236 H256	C236-D238 PolarHBondContact SG-N 3.45Å; D238-H256 IonicContact OD2-CD2 3.89Å
239	C	52.9	Low	44.5	Very low	38 Å²	38	97 Å²	97	26%	0.257	50%	0.5	S	S	.	.	S	Bend	trans	-152.8	146	165.5	69.3	0	0	0	0	110.3	C236 M241 H252	C236-C239 CarbonylContact C-O 3.5Å; C236-C239 VanDerWaalsContact C-O 3.3Å; C236-C239 WeakPolarHBondContact CB-O 3.35Å; C236-C239 CarbonylContact O-C 3.36Å; C239-M241 PolarHBondContact O-N 3.39Å; C239-M241 VanDerWaalsContact SG-CG 3.58Å; C239-H252 VanDerWaalsContact SG-CE1 3.53Å; C239-H252 PolarHBondContact SG-NE2 2.82Å
240	D	52.4	Low	45.3	Very low	156 Å²	156	95 Å²	95	83%	0.834	48%	0.483	S	S	*	.			trans	-66.3	20.5	-174.6	-66.8	-36.7	0	0	0	115.1
241	M	42.5	Very low	45.7	Very low	106 Å²	106	86.6 Å²	86.6	52%	0.522	46%	0.461	S	S	.	.			trans	-72.8	137.5	177.1	-70.8	-64.8	-65.2	0	0	111.5	Q235 C236 C239 F243	Q235-M241 CarbonylContact C-O 3.59Å; Q235-M241 WeakPolarHBondContact CA-O 2.78Å; C236-M241 PolarHBondContact N-O 2.57Å; C239-M241 PolarHBondContact O-N 3.39Å; C239-M241 VanDerWaalsContact SG-CG 3.58Å; M241-F243 HydrophobicContact CB-CE2 3.61Å; M241-F243 HydrophobicContact CB-CZ 3.84Å
242	T	41.3	Very low	46.4	Very low	68 Å²	68	81.9 Å²	81.9	42%	0.417	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	132.7	-176.2	71.8	0	0	0	0	111.3	L234 Q235	L234-T242 CarbonylContact O-C 3.54Å; L234-T242 VanDerWaalsContact O-CA 3.32Å; L234-T242 WeakPolarHBondContact O-CA 3.49Å; Q235-T242 HydrophobicContact CB-CG2 4.48Å; Q235-T242 HydrophobicContact CG-CG2 3.77Å
243	F	45.8	Very low	46.6	Very low	26 Å²	26	76 Å²	76	11%	0.114	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	141.3	-172.8	-63.4	-86.5	0	0	0	111.5	L234 C236 M241 C245 E248 L249 H252	L234-F243 PolarHBondContact N-O 3.27Å; L234-F243 PolarHBondContact O-N 2.96Å; C236-F243 HydrophobicContact CB-CE2 4.09Å; M241-F243 HydrophobicContact CB-CE2 3.61Å; M241-F243 HydrophobicContact CB-CZ 3.84Å; F243-C245 VanDerWaalsContact C-N 3.3Å; F243-C245 PolarHBondContact O-N 3.19Å; F243-E248 HydrophobicContact CB-CB 4.35Å; F243-E248 HydrophobicContact CD1-CB 3.98Å; F243-L249 HydrophobicContact CB-CB 4.15Å; F243-L249 HydrophobicContact CD2-CB 4.26Å; F243-L249 HydrophobicContact CD2-CD1 3.73Å; F243-L249 HydrophobicContact CE2-CD1 4.15Å; F243-L249 HydrophobicContact CG-CB 4.28Å; F243-H252 HydrophobicContact CD1-CB 4.48Å; F243-H252 HydrophobicContact CE1-CB 3.71Å; F243-H252 AromaticContact CE1-CG 3.88Å; F243-H252 HydrophobicContact CE2-CB 3.97Å; F243-H252 AromaticContact CE2-CD2 3.42Å; F243-H252 VanDerWaalsContact CE2-CD2 3.42Å; F243-H252 WeakPolarHBondContact CE2-CD2 3.33Å; F243-H252 AromaticContact CE2-CG 3.59Å; F243-H252 AromaticContact CE2-NE2 3.97Å; F243-H252 HydrophobicContact CZ-CB 3.43Å; F243-H252 VanDerWaalsContact CZ-CB 3.43Å; F243-H252 AromaticContact CZ-CD2 3.44Å; F243-H252 VanDerWaalsContact CZ-CD2 3.44Å; F243-H252 WeakPolarHBondContact CZ-CD2 3.24Å; F243-H252 AromaticContact CZ-CE1 3.91Å; F243-H252 AromaticContact CZ-CG 3.11Å; F243-H252 AromaticContact CZ-ND1 3.45Å; F243-H252 WeakPolarHBondContact CZ-ND1 3.37Å; F243-H252 AromaticContact CZ-NE2 3.92Å
244	P	36.7	Very low	46.6	Very low	100 Å²	100	75.8 Å²	75.8	65%	0.649	41%	0.414	S	S	*	.	S	Bend	trans	-74.4	-20	179.9	30.8	-35.4	0	0	0	112.7	E248	P244-E248 WeakPolarHBondContact CD-OE2 3.17Å; P244-E248 WeakPolarHBondContact CG-OE2 3Å
245	C	42.9	Very low	46.9	Very low	39 Å²	39	75.4 Å²	75.4	26%	0.264	41%	0.412	S	S	.	.	S	Bend	trans	-146.9	157.3	179.1	73.1	0	0	0	0	113.6	F243 S247 E248 L249	F243-C245 VanDerWaalsContact C-N 3.3Å; F243-C245 PolarHBondContact O-N 3.19Å; C245-S247 PolarHBondContact O-N 3.08Å; C245-S247 PolarHBondContact SG-OG 3.21Å; C245-E248 PolarHBondContact O-N 3.37Å; C245-E248 WeakPolarHBondContact SG-CG 3.12Å; C245-E248 PolarHBondContact SG-OE1 3.43Å; C245-L249 PolarHBondContact O-N 3.4Å; C245-L249 VanDerWaalsContact O-N 3.11Å
246	F	40.4	Very low	47.5	Very low	141 Å²	141	73.1 Å²	73.1	62%	0.618	40%	0.401	S	S	*	.	H	α-helix	trans	-66.7	-33.8	-175.5	-177.1	-102	0	0	0	112.7	L234 E248 L249 V250	L234-F246 HydrophobicContact CD1-CB 3.91Å; L234-F246 HydrophobicContact CD1-CD2 4.48Å; F246-E248 VanDerWaalsContact C-N 3.32Å; F246-E248 PolarHBondContact O-N 3.38Å; F246-L249 PolarHBondContact O-N 3.3Å; F246-V250 HydrophobicContact CD1-CG2 3.87Å; F246-V250 HydrophobicContact CD2-CG2 4.38Å; F246-V250 HydrophobicContact CE1-CG2 3.43Å; F246-V250 VanDerWaalsContact CE1-CG2 3.43Å; F246-V250 HydrophobicContact CE2-CG2 3.98Å; F246-V250 HydrophobicContact CG-CG2 4.33Å; F246-V250 HydrophobicContact CZ-CG2 3.49Å; F246-V250 VanDerWaalsContact CZ-CG2 3.49Å; F246-V250 WeakPolarHBondContact O-CG2 3.37Å; F246-V250 PolarHBondContact O-N 2.72Å
247	S	39.9	Very low	47.6	Very low	85 Å²	85	80.2 Å²	80.2	59%	0.594	44%	0.439	S	S	*	.	H	α-helix	trans	-64	-36	175.4	45.6	0	0	0	0	112.7	C245 S251	C245-S247 PolarHBondContact O-N 3.08Å; C245-S247 PolarHBondContact SG-OG 3.21Å; S247-S251 VanDerWaalsContact O-CB 3.29Å; S247-S251 WeakPolarHBondContact O-CB 3.2Å; S247-S251 PolarHBondContact O-N 3.02Å
248	E	40.8	Very low	47.4	Very low	94 Å²	94	76.2 Å²	76.2	44%	0.439	42%	0.416	S	S	.	.	H	α-helix	trans	-72.4	-37.4	174.1	-75.6	171.5	-133.6	0	0	111.8	F243 P244 C245 F246 H252	F243-E248 HydrophobicContact CB-CB 4.35Å; F243-E248 HydrophobicContact CD1-CB 3.98Å; P244-E248 WeakPolarHBondContact CD-OE2 3.17Å; P244-E248 WeakPolarHBondContact CG-OE2 3Å; C245-E248 PolarHBondContact O-N 3.37Å; C245-E248 WeakPolarHBondContact SG-CG 3.12Å; C245-E248 PolarHBondContact SG-OE1 3.43Å; F246-E248 VanDerWaalsContact C-N 3.32Å; F246-E248 PolarHBondContact O-N 3.38Å; E248-H252 VanDerWaalsContact O-CB 3.24Å; E248-H252 WeakPolarHBondContact O-CB 3.48Å; E248-H252 PolarHBondContact O-N 3.33Å
249	L	45.8	Very low	47.5	Very low	13 Å²	13	79.3 Å²	79.3	7%	0.068	43%	0.427	C	S	.	.	H	α-helix	trans	-63.3	-46.4	173.7	175.1	62.4	0	0	0	111.7	L234 C236 F243 C245 F246 H252 Q253	L234-L249 HydrophobicContact CB-CD2 4Å; C236-L249 HydrophobicContact CB-CD1 3.7Å; F243-L249 HydrophobicContact CB-CB 4.15Å; F243-L249 HydrophobicContact CD2-CB 4.26Å; F243-L249 HydrophobicContact CD2-CD1 3.73Å; F243-L249 HydrophobicContact CE2-CD1 4.15Å; F243-L249 HydrophobicContact CG-CB 4.28Å; C245-L249 PolarHBondContact O-N 3.4Å; C245-L249 VanDerWaalsContact O-N 3.11Å; F246-L249 PolarHBondContact O-N 3.3Å; L249-H252 CarbonylContact O-C 3.48Å; L249-H252 WeakPolarHBondContact O-CB 3.49Å; L249-H252 PolarHBondContact O-N 3.37Å; L249-H252 VanDerWaalsContact O-N 3.12Å; L249-Q253 HydrophobicContact CD1-CG 4.21Å; L249-Q253 WeakPolarHBondContact O-CG 3.31Å; L249-Q253 PolarHBondContact O-N 3.13Å
250	V	49.6	Very low	47.6	Very low	60 Å²	60	83 Å²	83	36%	0.364	44%	0.439	S	S	.	.	H	α-helix	trans	-64.9	-42.4	178.5	171.8	0	0	0	0	110.9	F246 H252 Q253 T254	F246-V250 HydrophobicContact CD1-CG2 3.87Å; F246-V250 HydrophobicContact CD2-CG2 4.38Å; F246-V250 HydrophobicContact CE1-CG2 3.43Å; F246-V250 VanDerWaalsContact CE1-CG2 3.43Å; F246-V250 HydrophobicContact CE2-CG2 3.98Å; F246-V250 HydrophobicContact CG-CG2 4.33Å; F246-V250 HydrophobicContact CZ-CG2 3.49Å; F246-V250 VanDerWaalsContact CZ-CG2 3.49Å; F246-V250 WeakPolarHBondContact O-CG2 3.37Å; F246-V250 PolarHBondContact O-N 2.72Å; V250-H252 PolarHBondContact O-N 3.07Å; V250-Q253 PolarHBondContact O-N 3.35Å; V250-T254 PolarHBondContact O-N 3.24Å
251	S	48	Very low	47.9	Very low	64 Å²	64	80.1 Å²	80.1	45%	0.448	43%	0.427	S	S	.	.	H	α-helix	trans	-65.1	-24.5	173.4	-175.6	0	0	0	0	113.2	S247 T254	S247-S251 VanDerWaalsContact O-CB 3.29Å; S247-S251 WeakPolarHBondContact O-CB 3.2Å; S247-S251 PolarHBondContact O-N 3.02Å; S251-T254 PolarHBondContact O-OG1 3.45Å
252	H	54.2	Low	49.1	Very low	25 Å²	25	78 Å²	78	12%	0.116	42%	0.416	C	S	.	.	H	α-helix	trans	-81.9	-36.8	173.7	169.2	76	0	0	0	111.7	C236 C239 F243 E248 L249 V250 T254 I255 H256	C236-H252 VanDerWaalsContact SG-CD2 3.57Å; C236-H252 PolarHBondContact SG-NE2 3.43Å; C239-H252 VanDerWaalsContact SG-CE1 3.53Å; C239-H252 PolarHBondContact SG-NE2 2.82Å; F243-H252 HydrophobicContact CD1-CB 4.48Å; F243-H252 HydrophobicContact CE1-CB 3.71Å; F243-H252 AromaticContact CE1-CG 3.88Å; F243-H252 HydrophobicContact CE2-CB 3.97Å; F243-H252 AromaticContact CE2-CD2 3.42Å; F243-H252 VanDerWaalsContact CE2-CD2 3.42Å; F243-H252 WeakPolarHBondContact CE2-CD2 3.33Å; F243-H252 AromaticContact CE2-CG 3.59Å; F243-H252 AromaticContact CE2-NE2 3.97Å; F243-H252 HydrophobicContact CZ-CB 3.43Å; F243-H252 VanDerWaalsContact CZ-CB 3.43Å; F243-H252 AromaticContact CZ-CD2 3.44Å; F243-H252 VanDerWaalsContact CZ-CD2 3.44Å; F243-H252 WeakPolarHBondContact CZ-CD2 3.24Å; F243-H252 AromaticContact CZ-CE1 3.91Å; F243-H252 AromaticContact CZ-CG 3.11Å; F243-H252 AromaticContact CZ-ND1 3.45Å; F243-H252 WeakPolarHBondContact CZ-ND1 3.37Å; F243-H252 AromaticContact CZ-NE2 3.92Å; E248-H252 VanDerWaalsContact O-CB 3.24Å; E248-H252 WeakPolarHBondContact O-CB 3.48Å; E248-H252 PolarHBondContact O-N 3.33Å; L249-H252 CarbonylContact O-C 3.48Å; L249-H252 WeakPolarHBondContact O-CB 3.49Å; L249-H252 PolarHBondContact O-N 3.37Å; L249-H252 VanDerWaalsContact O-N 3.12Å; V250-H252 PolarHBondContact O-N 3.07Å; H252-T254 PolarHBondContact O-N 3.22Å; H252-I255 WeakPolarHBondContact O-CA 3.5Å; H252-I255 WeakPolarHBondContact O-CB 3.33Å; H252-I255 WeakPolarHBondContact O-CG1 3.49Å; H252-I255 PolarHBondContact O-N 2.87Å; H252-H256 AromaticContact CD2-NE2 3.98Å; H252-H256 AromaticContact CE1-NE2 3.91Å; H252-H256 AromaticContact NE2-NE2 3.26Å; H252-H256 PolarHBondContact NE2-NE2 3.1Å
253	Q	47.4	Very low	50.4	Low	62 Å²	62	81 Å²	81	29%	0.29	42%	0.423	S	S	.	.	H	α-helix	trans	-62.9	-32.2	177.8	-77	173.8	-43	0	0	112.2	L249 V250 I255 H256	L249-Q253 HydrophobicContact CD1-CG 4.21Å; L249-Q253 WeakPolarHBondContact O-CG 3.31Å; L249-Q253 PolarHBondContact O-N 3.13Å; V250-Q253 PolarHBondContact O-N 3.35Å; Q253-I255 PolarHBondContact O-N 3.02Å; Q253-I255 VanDerWaalsContact O-N 3.1Å; Q253-H256 PolarHBondContact O-N 3.34Å
254	T	47.7	Very low	51.7	Low	62 Å²	62	79.8 Å²	79.8	38%	0.38	42%	0.418	S	S	.	.	H	α-helix	trans	-61.5	-17.6	171	55.5	0	0	0	0	113.3	V250 S251 H252 H256 M258	V250-T254 PolarHBondContact O-N 3.24Å; S251-T254 PolarHBondContact O-OG1 3.45Å; H252-T254 PolarHBondContact O-N 3.22Å; T254-H256 VanDerWaalsContact C-N 3.33Å; T254-M258 VanDerWaalsContact O-CB 3.26Å; T254-M258 WeakPolarHBondContact O-CB 3.44Å; T254-M258 WeakPolarHBondContact O-CG 3.3Å; T254-M258 PolarHBondContact O-N 3.17Å; T254-M258 VanDerWaalsContact O-N 3.13Å
255	I	51.5	Low	53.1	Low	48 Å²	48	84.6 Å²	84.6	25%	0.246	43%	0.429	C	S	.	.	H	α-helix	trans	-74.7	-23.8	176.1	-55	173.4	0	0	0	111.7	H252 Q253 A272	H252-I255 WeakPolarHBondContact O-CA 3.5Å; H252-I255 WeakPolarHBondContact O-CB 3.33Å; H252-I255 WeakPolarHBondContact O-CG1 3.49Å; H252-I255 PolarHBondContact O-N 2.87Å; Q253-I255 PolarHBondContact O-N 3.02Å; Q253-I255 VanDerWaalsContact O-N 3.1Å; I255-A272 HydrophobicContact CB-CB 4.44Å; I255-A272 HydrophobicContact CG1-CB 4.16Å; I255-A272 HydrophobicContact CG2-CB 4.12Å
256	H	58.9	Low	53.9	Low	79 Å²	79	87.6 Å²	87.6	37%	0.366	45%	0.446	S	S	.	.	H	α-helix	trans	-78.4	-29.4	175.5	-63.9	-65.1	0	0	0	111.9	C236 D238 H252 Q253 T254	C236-H256 PolarHBondContact SG-NE2 2.82Å; C236-H256 VanDerWaalsContact SG-NE2 3.37Å; D238-H256 IonicContact OD2-CD2 3.89Å; H252-H256 AromaticContact CD2-NE2 3.98Å; H252-H256 AromaticContact CE1-NE2 3.91Å; H252-H256 AromaticContact NE2-NE2 3.26Å; H252-H256 PolarHBondContact NE2-NE2 3.1Å; Q253-H256 PolarHBondContact O-N 3.34Å; T254-H256 VanDerWaalsContact C-N 3.33Å
257	D	53.6	Low	55.3	Low	152 Å²	152	83.2 Å²	83.2	81%	0.813	43%	0.432	S	S	*	.	H	α-helix	trans	-90.8	-10.4	177.5	-68	-29.4	0	0	0	113.8
258	M	50.2	Low	56.4	Low	77 Å²	77	81.9 Å²	81.9	38%	0.379	43%	0.426	S	S	.	.	S	Bend	trans	-98.6	127.4	-178.2	-74.4	176.9	83	0	0	112.5	T254 K260 A272 L273	T254-M258 VanDerWaalsContact O-CB 3.26Å; T254-M258 WeakPolarHBondContact O-CB 3.44Å; T254-M258 WeakPolarHBondContact O-CG 3.3Å; T254-M258 PolarHBondContact O-N 3.17Å; T254-M258 VanDerWaalsContact O-N 3.13Å; M258-K260 PolarHBondContact O-N 3.38Å; M258-A272 HydrophobicContact CB-CB 4.3Å; M258-A272 WeakPolarHBondContact CE-O 3.41Å; M258-A272 HydrophobicContact SD-CB 4.42Å; M258-L273 HydrophobicContact CE-CD2 4.06Å
259	E	55.1	Low	57.6	Low	170 Å²	170	83.4 Å²	83.4	79%	0.794	43%	0.431	S	S	*	.			trans	-61.3	118.7	166.6	-144	173.5	-163.9	0	0	108.6	T261	E259-T261 VanDerWaalsContact C-N 3.35Å; E259-T261 HydrophobicContact CB-CG2 4.39Å; E259-T261 WeakPolarHBondContact O-CG2 3.13Å; E259-T261 PolarHBondContact O-N 3.34Å
260	K	55.7	Low	58.1	Low	116 Å²	116	86 Å²	86	50%	0.504	45%	0.448	S	S	.	.			trans	-73.4	84.7	-176.2	-64.6	177.2	-175.6	169.2	0	110.7	M258	M258-K260 PolarHBondContact O-N 3.38Å
261	T	57.1	Low	59.1	Low	96 Å²	96	85 Å²	85	59%	0.589	44%	0.439	S	S	*	.			trans	-86.8	-18.8	-173.3	54.4	0	0	0	0	114.3	E259 K263	E259-T261 VanDerWaalsContact C-N 3.35Å; E259-T261 HydrophobicContact CB-CG2 4.39Å; E259-T261 WeakPolarHBondContact O-CG2 3.13Å; E259-T261 PolarHBondContact O-N 3.34Å; T261-K263 PolarHBondContact O-N 3.02Å
262	H	67.9	Low	59.7	Low	60 Å²	60	82.4 Å²	82.4	28%	0.278	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	99.3	-173.3	-60.8	-77.4	0	0	0	112.7	T270 F271 L277	H262-T270 CarbonylContact O-C 3.29Å; H262-T270 WeakPolarHBondContact O-CA 3.39Å; H262-F271 HydrophobicContact CB-CB 4.47Å; H262-F271 WeakPolarHBondContact CB-O 3.5Å; H262-F271 PolarHBondContact N-O 2.94Å; H262-F271 PolarHBondContact O-N 3.45Å; H262-L277 HydrophobicContact CB-CB 4.41Å; H262-L277 HydrophobicContact CB-CD2 4.02Å
263	K	68.9	Low	60.1	Low	132 Å²	132	84.2 Å²	84.2	57%	0.574	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.1	126.4	-177.5	-170.4	176	-178.7	178.7	0	112.5	T261 K265 T270	T261-K263 PolarHBondContact O-N 3.02Å; K263-K265 PolarHBondContact O-N 3.42Å; K263-T270 HydrophobicContact CB-CG2 4.15Å; K263-T270 HydrophobicContact CG-CG2 4.07Å
264	C	72.5	Confident	61	Low	1 Å²	1	87.8 Å²	87.8	1%	0.007	45%	0.448	C	S	.	.			trans	-65.4	124.8	170.9	-179.4	0	0	0	0	110.8	T266 C267 A268 K269 F271 L277	C264-T266 VanDerWaalsContact C-N 3.26Å; C264-T266 PolarHBondContact O-N 2.81Å; C264-C267 VanDerWaalsContact SG-SG 3.63Å; C264-A268 WeakPolarHBondContact O-CA 3.28Å; C264-A268 PolarHBondContact O-N 3.35Å; C264-K269 WeakPolarHBondContact CB-O 3.31Å; C264-K269 PolarHBondContact N-O 3.05Å; C264-F271 HydrophobicContact CB-CE2 4.06Å; C264-L277 VanDerWaalsContact CA-CD1 3.43Å; C264-L277 HydrophobicContact CB-CD1 3.51Å
265	K	65.9	Low	61.7	Low	201 Å²	201	88.5 Å²	88.5	87%	0.874	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-25.5	-177.7	-64	177	-177.9	173.8	0	112.7	K263	K263-K265 PolarHBondContact O-N 3.42Å
266	T	61.3	Low	62.5	Low	102 Å²	102	89.4 Å²	89.4	63%	0.626	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-38.6	-175.5	-48.8	0	0	0	0	113.4	C264	C264-T266 VanDerWaalsContact C-N 3.26Å; C264-T266 PolarHBondContact O-N 2.81Å
267	C	69.5	Low	63.2	Low	48 Å²	48	86.5 Å²	86.5	32%	0.324	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.3	8.3	-173.2	72.9	0	0	0	0	114	C264 K269 H280 H284	C264-C267 VanDerWaalsContact SG-SG 3.63Å; C267-K269 PolarHBondContact O-N 3.33Å; C267-H280 PolarHBondContact SG-NE2 3.44Å; C267-H284 PolarHBondContact SG-NE2 2.95Å
268	A	63.6	Low	63.9	Low	57 Å²	57	81.4 Å²	81.4	47%	0.471	43%	0.426	S	S	.	.			trans	59.9	7.4	178.3	0	0	0	0	0	116.2	C264	C264-A268 WeakPolarHBondContact O-CA 3.28Å; C264-A268 PolarHBondContact O-N 3.35Å
269	K	64.6	Low	64.7	Low	126 Å²	126	80.9 Å²	80.9	55%	0.548	43%	0.431	S	S	.	.			trans	-65.4	135.2	174.1	-72.3	-176.6	-179.9	-174.3	0	110.8	C264 C267 F271	C264-K269 WeakPolarHBondContact CB-O 3.31Å; C264-K269 PolarHBondContact N-O 3.05Å; C267-K269 PolarHBondContact O-N 3.33Å; K269-F271 HydrophobicContact CB-CE2 3.65Å; K269-F271 HydrophobicContact CB-CZ 3.81Å; K269-F271 WeakPolarHBondContact O-CD2 3.46Å; K269-F271 VanDerWaalsContact O-CE2 3.31Å; K269-F271 WeakPolarHBondContact O-CE2 3.32Å
270	T	57.8	Low	65.5	Low	67 Å²	67	74.1 Å²	74.1	41%	0.411	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	132.7	-178.3	54.3	0	0	0	0	110.7	H262 K263	H262-T270 CarbonylContact O-C 3.29Å; H262-T270 WeakPolarHBondContact O-CA 3.39Å; K263-T270 HydrophobicContact CB-CG2 4.15Å; K263-T270 HydrophobicContact CG-CG2 4.07Å
271	F	69.3	Low	65.9	Low	41 Å²	41	71.9 Å²	71.9	18%	0.18	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	150.1	-177.5	-60.1	-90	0	0	0	109.4	H262 C264 K269 D276 L277 H280	H262-F271 HydrophobicContact CB-CB 4.47Å; H262-F271 WeakPolarHBondContact CB-O 3.5Å; H262-F271 PolarHBondContact N-O 2.94Å; H262-F271 PolarHBondContact O-N 3.45Å; C264-F271 HydrophobicContact CB-CE2 4.06Å; K269-F271 HydrophobicContact CB-CE2 3.65Å; K269-F271 HydrophobicContact CB-CZ 3.81Å; K269-F271 WeakPolarHBondContact O-CD2 3.46Å; K269-F271 VanDerWaalsContact O-CE2 3.31Å; K269-F271 WeakPolarHBondContact O-CE2 3.32Å; F271-D276 HydrophobicContact CB-CB 4.29Å; F271-D276 HydrophobicContact CD1-CB 3.95Å; F271-D276 HydrophobicContact CG-CB 4.43Å; F271-L277 HydrophobicContact CB-CB 4.2Å; F271-L277 HydrophobicContact CD2-CB 3.95Å; F271-L277 HydrophobicContact CD2-CD1 3.74Å; F271-L277 HydrophobicContact CD2-CG 4.44Å; F271-L277 HydrophobicContact CE2-CD1 3.95Å; F271-L277 HydrophobicContact CG-CB 4.17Å; F271-H280 HydrophobicContact CE1-CB 3.77Å; F271-H280 AromaticContact CE1-CG 3.9Å; F271-H280 HydrophobicContact CE2-CB 4.01Å; F271-H280 AromaticContact CE2-CD2 3.46Å; F271-H280 VanDerWaalsContact CE2-CD2 3.46Å; F271-H280 WeakPolarHBondContact CE2-CD2 3.22Å; F271-H280 AromaticContact CE2-CG 3.71Å; F271-H280 HydrophobicContact CZ-CB 3.45Å; F271-H280 VanDerWaalsContact CZ-CB 3.45Å; F271-H280 AromaticContact CZ-CD2 3.34Å; F271-H280 WeakPolarHBondContact CZ-CD2 3.48Å; F271-H280 AromaticContact CZ-CG 3.14Å; F271-H280 AromaticContact CZ-ND1 3.63Å; F271-H280 AromaticContact CZ-NE2 3.92Å
272	A	60	Low	66.3	Low	8 Å²	8	74.1 Å²	74.1	7%	0.066	39%	0.392	C	S	.	.	S	Bend	trans	-80.6	-27.2	176.6	0	0	0	0	0	112.2	I255 M258	I255-A272 HydrophobicContact CB-CB 4.44Å; I255-A272 HydrophobicContact CG1-CB 4.16Å; I255-A272 HydrophobicContact CG2-CB 4.12Å; M258-A272 HydrophobicContact CB-CB 4.3Å; M258-A272 WeakPolarHBondContact CE-O 3.41Å; M258-A272 HydrophobicContact SD-CB 4.42Å
273	L	63.4	Low	65.8	Low	64 Å²	64	72.2 Å²	72.2	34%	0.335	39%	0.385	S	S	.	.	S	Bend	trans	-122.2	142.3	179.2	-58.5	173.3	0	0	0	111.3	M258 S275 D276 L277	M258-L273 HydrophobicContact CE-CD2 4.06Å; L273-S275 VanDerWaalsContact C-N 3.28Å; L273-S275 PolarHBondContact O-N 2.89Å; L273-D276 HydrophobicContact CB-CB 4.47Å; L273-D276 PolarHBondContact O-N 3.48Å; L273-L277 PolarHBondContact O-N 3.45Å
274	E	66.1	Low	65.5	Low	137 Å²	137	69.7 Å²	69.7	64%	0.64	38%	0.375	S	S	*	.	H	α-helix	trans	-63.8	-32.2	176.1	-170.9	175.3	-177.2	0	0	112.4	D276 L277 A278	E274-D276 VanDerWaalsContact C-N 3.29Å; E274-D276 PolarHBondContact O-N 2.85Å; E274-L277 PolarHBondContact O-N 3.26Å; E274-A278 WeakPolarHBondContact O-CB 3.49Å; E274-A278 PolarHBondContact O-N 2.97Å
275	S	62.8	Low	64.9	Low	76 Å²	76	80.3 Å²	80.3	53%	0.531	42%	0.415	S	S	.	.	H	α-helix	trans	-61.8	-37	174.3	54.2	0	0	0	0	112.7	L273 A278 S279	L273-S275 VanDerWaalsContact C-N 3.28Å; L273-S275 PolarHBondContact O-N 2.89Å; S275-A278 PolarHBondContact O-N 3.29Å; S275-S279 WeakPolarHBondContact O-CB 3.42Å; S275-S279 PolarHBondContact O-N 2.76Å
276	D	67.2	Low	64.4	Low	67 Å²	67	77.4 Å²	77.4	36%	0.358	40%	0.399	S	S	.	.	H	α-helix	trans	-73.9	-39.1	179.3	-62.8	-23.6	0	0	0	110.8	F271 L273 E274 S279 H280	F271-D276 HydrophobicContact CB-CB 4.29Å; F271-D276 HydrophobicContact CD1-CB 3.95Å; F271-D276 HydrophobicContact CG-CB 4.43Å; L273-D276 HydrophobicContact CB-CB 4.47Å; L273-D276 PolarHBondContact O-N 3.48Å; E274-D276 VanDerWaalsContact C-N 3.29Å; E274-D276 PolarHBondContact O-N 2.85Å; D276-S279 PolarHBondContact O-N 3.44Å; D276-H280 WeakPolarHBondContact O-CB 3.36Å; D276-H280 PolarHBondContact O-N 2.9Å
277	L	74.4	Confident	64.2	Low	19 Å²	19	80.9 Å²	80.9	10%	0.099	41%	0.408	C	S	.	.	H	α-helix	trans	-59.8	-47	169.6	173.6	60.1	0	0	0	110.8	H262 C264 F271 L273 E274 S279 H280 E281	H262-L277 HydrophobicContact CB-CB 4.41Å; H262-L277 HydrophobicContact CB-CD2 4.02Å; C264-L277 VanDerWaalsContact CA-CD1 3.43Å; C264-L277 HydrophobicContact CB-CD1 3.51Å; F271-L277 HydrophobicContact CB-CB 4.2Å; F271-L277 HydrophobicContact CD2-CB 3.95Å; F271-L277 HydrophobicContact CD2-CD1 3.74Å; F271-L277 HydrophobicContact CD2-CG 4.44Å; F271-L277 HydrophobicContact CE2-CD1 3.95Å; F271-L277 HydrophobicContact CG-CB 4.17Å; L273-L277 PolarHBondContact O-N 3.45Å; E274-L277 PolarHBondContact O-N 3.26Å; L277-S279 VanDerWaalsContact C-N 3.34Å; L277-S279 PolarHBondContact O-N 3.19Å; L277-H280 CarbonylContact O-C 3.55Å; L277-H280 WeakPolarHBondContact O-CB 3.41Å; L277-H280 PolarHBondContact O-N 2.94Å; L277-E281 HydrophobicContact CD1-CG 3.81Å; L277-E281 HydrophobicContact CG-CG 4.33Å; L277-E281 WeakPolarHBondContact O-CB 3.45Å; L277-E281 WeakPolarHBondContact O-CG 3.29Å; L277-E281 PolarHBondContact O-N 3.42Å
278	A	68.7	Low	63.9	Low	44 Å²	44	82.4 Å²	82.4	36%	0.364	41%	0.41	S	S	.	.	H	α-helix	trans	-62.6	-39.9	179.2	0	0	0	0	0	112.2	E274 S275 E281 K282	E274-A278 WeakPolarHBondContact O-CB 3.49Å; E274-A278 PolarHBondContact O-N 2.97Å; S275-A278 PolarHBondContact O-N 3.29Å; A278-E281 PolarHBondContact O-N 3.1Å; A278-K282 VanDerWaalsContact O-CG 3.29Å; A278-K282 WeakPolarHBondContact O-CG 3.49Å; A278-K282 PolarHBondContact O-N 3.34Å; A278-K282 VanDerWaalsContact O-N 3.1Å
279	S	66.9	Low	63.8	Low	67 Å²	67	84 Å²	84	47%	0.469	42%	0.416	S	S	.	.	H	α-helix	trans	-69.6	-35.5	175.7	-147.6	0	0	0	0	112.2	S275 D276 L277 K282 S283	S275-S279 WeakPolarHBondContact O-CB 3.42Å; S275-S279 PolarHBondContact O-N 2.76Å; D276-S279 PolarHBondContact O-N 3.44Å; L277-S279 VanDerWaalsContact C-N 3.34Å; L277-S279 PolarHBondContact O-N 3.19Å; S279-K282 WeakPolarHBondContact O-CB 3.48Å; S279-S283 PolarHBondContact O-N 2.85Å
280	H	71.9	Confident	63.9	Low	27 Å²	27	81.4 Å²	81.4	13%	0.125	41%	0.405	C	S	.	.	H	α-helix	trans	-69	-41.2	172.9	174.5	70.2	0	0	0	112.5	C267 F271 D276 L277 K282 S283 H284	C267-H280 PolarHBondContact SG-NE2 3.44Å; F271-H280 HydrophobicContact CE1-CB 3.77Å; F271-H280 AromaticContact CE1-CG 3.9Å; F271-H280 HydrophobicContact CE2-CB 4.01Å; F271-H280 AromaticContact CE2-CD2 3.46Å; F271-H280 VanDerWaalsContact CE2-CD2 3.46Å; F271-H280 WeakPolarHBondContact CE2-CD2 3.22Å; F271-H280 AromaticContact CE2-CG 3.71Å; F271-H280 HydrophobicContact CZ-CB 3.45Å; F271-H280 VanDerWaalsContact CZ-CB 3.45Å; F271-H280 AromaticContact CZ-CD2 3.34Å; F271-H280 WeakPolarHBondContact CZ-CD2 3.48Å; F271-H280 AromaticContact CZ-CG 3.14Å; F271-H280 AromaticContact CZ-ND1 3.63Å; F271-H280 AromaticContact CZ-NE2 3.92Å; D276-H280 WeakPolarHBondContact O-CB 3.36Å; D276-H280 PolarHBondContact O-N 2.9Å; L277-H280 CarbonylContact O-C 3.55Å; L277-H280 WeakPolarHBondContact O-CB 3.41Å; L277-H280 PolarHBondContact O-N 2.94Å; H280-K282 VanDerWaalsContact C-N 3.28Å; H280-K282 PolarHBondContact O-N 2.77Å; H280-S283 WeakPolarHBondContact O-CA 3.35Å; H280-S283 WeakPolarHBondContact O-CB 3.32Å; H280-S283 PolarHBondContact O-N 3.26Å; H280-S283 PolarHBondContact O-OG 3.43Å; H280-H284 AromaticContact CD2-NE2 3.69Å; H280-H284 AromaticContact CE1-NE2 3.65Å; H280-H284 AromaticContact NE2-CD2 3.92Å; H280-H284 AromaticContact NE2-CE1 3.71Å; H280-H284 AromaticContact NE2-NE2 2.98Å; H280-H284 PolarHBondContact NE2-NE2 3.38Å
281	E	63.4	Low	64.6	Low	69 Å²	69	84.5 Å²	84.5	32%	0.322	41%	0.412	S	S	.	.	H	α-helix	trans	-66.3	-33.6	177.5	-75.5	-175.2	159.5	0	0	111.8	L277 A278 S283 H284 R285	L277-E281 HydrophobicContact CD1-CG 3.81Å; L277-E281 HydrophobicContact CG-CG 4.33Å; L277-E281 WeakPolarHBondContact O-CB 3.45Å; L277-E281 WeakPolarHBondContact O-CG 3.29Å; L277-E281 PolarHBondContact O-N 3.42Å; A278-E281 PolarHBondContact O-N 3.1Å; E281-S283 PolarHBondContact O-N 2.84Å; E281-H284 WeakPolarHBondContact O-CB 3.15Å; E281-H284 PolarHBondContact O-N 2.72Å; E281-R285 PolarHBondContact O-N 3.2Å
282	K	65.6	Low	65	Low	143 Å²	143	82.5 Å²	82.5	62%	0.622	40%	0.404	S	S	*	.	H	α-helix	trans	-58.5	-28.5	167.1	-71.5	171.1	-173.5	-179.2	0	112.2	A278 S279 H280 H284 R285 R286	A278-K282 VanDerWaalsContact O-CG 3.29Å; A278-K282 WeakPolarHBondContact O-CG 3.49Å; A278-K282 PolarHBondContact O-N 3.34Å; A278-K282 VanDerWaalsContact O-N 3.1Å; S279-K282 WeakPolarHBondContact O-CB 3.48Å; H280-K282 VanDerWaalsContact C-N 3.28Å; H280-K282 PolarHBondContact O-N 2.77Å; K282-H284 VanDerWaalsContact C-N 3.31Å; K282-H284 PolarHBondContact O-N 2.59Å; K282-R285 CarbonylContact O-C 3.49Å; K282-R285 VanDerWaalsContact O-C 3.28Å; K282-R285 PolarHBondContact O-N 3.23Å; K282-R285 VanDerWaalsContact O-N 3.16Å; K282-R286 WeakPolarHBondContact O-CG 3.46Å; K282-R286 PolarHBondContact O-N 3.37Å; K282-R286 VanDerWaalsContact O-N 3.14Å
283	S	57.5	Low	65.8	Low	21 Å²	21	88 Å²	88	15%	0.147	44%	0.437	C	S	.	.	H	α-helix	trans	-71.7	-20.6	175.5	86.2	0	0	0	0	114.7	S279 H280 E281 R300	S279-S283 PolarHBondContact O-N 2.85Å; H280-S283 WeakPolarHBondContact O-CA 3.35Å; H280-S283 WeakPolarHBondContact O-CB 3.32Å; H280-S283 PolarHBondContact O-N 3.26Å; H280-S283 PolarHBondContact O-OG 3.43Å; E281-S283 PolarHBondContact O-N 2.84Å; S283-R300 PolarHBondContact O-NH2 3.41Å
284	H	63.7	Low	66.3	Low	78 Å²	78	89.7 Å²	89.7	36%	0.361	45%	0.45	S	S	.	.	H	α-helix	trans	-79.8	-25.8	168.6	-62.6	-56	0	0	0	111.9	C267 H280 E281 K282	C267-H284 PolarHBondContact SG-NE2 2.95Å; H280-H284 AromaticContact CD2-NE2 3.69Å; H280-H284 AromaticContact CE1-NE2 3.65Å; H280-H284 AromaticContact NE2-CD2 3.92Å; H280-H284 AromaticContact NE2-CE1 3.71Å; H280-H284 AromaticContact NE2-NE2 2.98Å; H280-H284 PolarHBondContact NE2-NE2 3.38Å; E281-H284 WeakPolarHBondContact O-CB 3.15Å; E281-H284 PolarHBondContact O-N 2.72Å; K282-H284 VanDerWaalsContact C-N 3.31Å; K282-H284 PolarHBondContact O-N 2.59Å
285	R	60.1	Low	66.8	Low	224 Å²	224	85.8 Å²	85.8	85%	0.845	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	24	173.4	-73	-166.5	-171.5	-175.2	3.8	113.8	E281 K282 E287	E281-R285 PolarHBondContact O-N 3.2Å; K282-R285 CarbonylContact O-C 3.49Å; K282-R285 VanDerWaalsContact O-C 3.28Å; K282-R285 PolarHBondContact O-N 3.23Å; K282-R285 VanDerWaalsContact O-N 3.16Å; R285-E287 PolarHBondContact O-N 3.29Å
286	R	55.3	Low	67.1	Low	140 Å²	140	83.9 Å²	83.9	53%	0.528	43%	0.429	S	S	.	.			trans	-80.1	105.1	174.2	-82.7	174.1	-160.5	-167.5	6.4	108.9	K282 E288	K282-R286 WeakPolarHBondContact O-CG 3.46Å; K282-R286 PolarHBondContact O-N 3.37Å; K282-R286 VanDerWaalsContact O-N 3.14Å; R286-E288 PolarHBondContact O-N 3.3Å
287	E	57.3	Low	67.3	Low	176 Å²	176	86.6 Å²	86.6	82%	0.822	44%	0.438	S	S	*	.			trans	-49.6	133.1	166.3	-64.8	179.2	175.6	0	0	109	R285 P289	R285-E287 PolarHBondContact O-N 3.29Å; E287-P289 VanDerWaalsContact C-CD 3.4Å; E287-P289 WeakPolarHBondContact O-CD 3.46Å
288	E	62.5	Low	67.1	Low	80 Å²	80	87.8 Å²	87.8	37%	0.374	45%	0.448	S	S	.	.			trans	-101.1	82.1	174.7	-65	-167.1	147.1	0	0	107.9	R286 F290 S298 R300	R286-E288 PolarHBondContact O-N 3.3Å; E288-F290 PolarHBondContact O-N 3.43Å; E288-F290 VanDerWaalsContact O-N 3.14Å; E288-S298 WeakPolarHBondContact OE2-CB 3.37Å; E288-R300 HydrophobicContact CG-CG 3.98Å; E288-R300 IonicContact OE1-NE 3.98Å
289	P	61.1	Low	67.3	Low	91 Å²	91	87.3 Å²	87.3	59%	0.591	44%	0.438	S	S	*	.			trans	-67.7	-17.9	-168.8	27	-36.2	0	0	0	112.7	E287 K291	E287-P289 VanDerWaalsContact C-CD 3.4Å; E287-P289 WeakPolarHBondContact O-CD 3.46Å; P289-K291 PolarHBondContact O-N 2.85Å
290	F	66.6	Low	67.1	Low	70 Å²	70	90.1 Å²	90.1	31%	0.307	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	91.5	-175	-55.3	-70.6	0	0	0	111.2	E288 S298 F299 N302 L305	E288-F290 PolarHBondContact O-N 3.43Å; E288-F290 VanDerWaalsContact O-N 3.14Å; F290-S298 CarbonylContact O-C 3.55Å; F290-S298 WeakPolarHBondContact O-CA 3.46Å; F290-F299 HydrophobicContact CB-CB 4.29Å; F290-F299 WeakPolarHBondContact CB-O 3.21Å; F290-F299 PolarHBondContact N-O 3.14Å; F290-F299 WeakPolarHBondContact O-CD2 3.49Å; F290-F299 PolarHBondContact O-N 3.46Å; F290-N302 HydrophobicContact CD1-CB 3.83Å; F290-N302 HydrophobicContact CD2-CB 4.39Å; F290-N302 HydrophobicContact CE1-CB 3.76Å; F290-N302 HydrophobicContact CE2-CB 4.32Å; F290-N302 HydrophobicContact CG-CB 4.16Å; F290-N302 HydrophobicContact CZ-CB 4.01Å; F290-L305 HydrophobicContact CB-CB 4.15Å; F290-L305 HydrophobicContact CB-CD2 3.83Å
291	K	72.4	Confident	66.5	Low	132 Å²	132	92.4 Å²	92.4	57%	0.574	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94	134	178.1	-167.7	174.1	-179.6	179.4	0	112.5	P289 T293 G296	P289-K291 PolarHBondContact O-N 2.85Å; K291-T293 PolarHBondContact O-N 3.44Å; K291-G296 VanDerWaalsContact CE-O 3.28Å; K291-G296 WeakPolarHBondContact CE-O 3.38Å
292	C	77.9	Confident	66.5	Low	0 Å²	0	92.6 Å²	92.6	0%	0	46%	0.457	C	S	.	.			trans	-72.6	118.5	170.1	-175.8	0	0	0	0	110	V294 G296 K297 F299 L305	C292-V294 PolarHBondContact O-N 3.41Å; C292-G296 WeakPolarHBondContact O-CA 3.44Å; C292-G296 PolarHBondContact O-N 3.16Å; C292-K297 HydrophobicContact CB-CB 4.47Å; C292-K297 WeakPolarHBondContact CB-O 3.42Å; C292-K297 PolarHBondContact N-O 3.39Å; C292-F299 HydrophobicContact CB-CE2 4.13Å; C292-L305 VanDerWaalsContact CA-CD1 3.48Å; C292-L305 HydrophobicContact CB-CD1 3.57Å
293	T	75.9	Confident	66.9	Low	124 Å²	124	91.2 Å²	91.2	76%	0.761	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-18.5	178.3	52.3	0	0	0	0	113.6	K291	K291-T293 PolarHBondContact O-N 3.44Å
294	V	73.9	Confident	67.6	Low	99 Å²	99	95 Å²	95	60%	0.6	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-39.4	-177.6	-177.9	0	0	0	0	112.3	C292 H312	C292-V294 PolarHBondContact O-N 3.41Å; V294-H312 HydrophobicContact CG1-CB 4.4Å
295	C	77.1	Confident	68.3	Low	55 Å²	55	91.6 Å²	91.6	37%	0.372	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.3	5.2	-176	73.3	0	0	0	0	114.5	K297 H308 H312	C295-K297 PolarHBondContact O-N 3.29Å; C295-K297 VanDerWaalsContact O-N 3.17Å; C295-H308 PolarHBondContact SG-NE2 3.41Å; C295-H312 PolarHBondContact SG-NE2 3.22Å; C295-H312 VanDerWaalsContact SG-NE2 3.42Å
296	G	68.5	Low	69.1	Low	36 Å²	36	84.3 Å²	84.3	37%	0.371	44%	0.437	S	S	.	.			trans	75.4	-3.2	175.4	0	0	0	0	0	116.1	K291 C292 S298	K291-G296 VanDerWaalsContact CE-O 3.28Å; K291-G296 WeakPolarHBondContact CE-O 3.38Å; C292-G296 WeakPolarHBondContact O-CA 3.44Å; C292-G296 PolarHBondContact O-N 3.16Å; G296-S298 PolarHBondContact O-N 2.96Å
297	K	72.1	Confident	70.3	Confident	123 Å²	123	80.1 Å²	80.1	54%	0.535	43%	0.432	S	S	.	.			trans	-64.9	131.1	179.2	-70.2	-179	-177.2	-177.2	0	111.4	C292 C295 F299	C292-K297 HydrophobicContact CB-CB 4.47Å; C292-K297 WeakPolarHBondContact CB-O 3.42Å; C292-K297 PolarHBondContact N-O 3.39Å; C295-K297 PolarHBondContact O-N 3.29Å; C295-K297 VanDerWaalsContact O-N 3.17Å; K297-F299 HydrophobicContact CB-CE2 3.71Å; K297-F299 HydrophobicContact CB-CZ 3.83Å; K297-F299 WeakPolarHBondContact O-CD2 3.33Å; K297-F299 WeakPolarHBondContact O-CE2 3.5Å
298	S	69.4	Low	71.5	Confident	45 Å²	45	72.9 Å²	72.9	32%	0.315	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	150.2	178.1	-62.3	0	0	0	0	110.9	E288 F290 G296	E288-S298 WeakPolarHBondContact OE2-CB 3.37Å; F290-S298 CarbonylContact O-C 3.55Å; F290-S298 WeakPolarHBondContact O-CA 3.46Å; G296-S298 PolarHBondContact O-N 2.96Å
299	F	73.2	Confident	72.2	Confident	34 Å²	34	73.4 Å²	73.4	15%	0.149	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	147.2	-174.1	-61.3	-88.4	0	0	0	110	F290 C292 K297 Q304 L305 H308	F290-F299 HydrophobicContact CB-CB 4.29Å; F290-F299 WeakPolarHBondContact CB-O 3.21Å; F290-F299 PolarHBondContact N-O 3.14Å; F290-F299 WeakPolarHBondContact O-CD2 3.49Å; F290-F299 PolarHBondContact O-N 3.46Å; C292-F299 HydrophobicContact CB-CE2 4.13Å; K297-F299 HydrophobicContact CB-CE2 3.71Å; K297-F299 HydrophobicContact CB-CZ 3.83Å; K297-F299 WeakPolarHBondContact O-CD2 3.33Å; K297-F299 WeakPolarHBondContact O-CE2 3.5Å; F299-Q304 HydrophobicContact CB-CB 4.23Å; F299-Q304 HydrophobicContact CD1-CB 3.76Å; F299-Q304 HydrophobicContact CG-CB 4.29Å; F299-L305 HydrophobicContact CB-CB 4.18Å; F299-L305 HydrophobicContact CD2-CB 3.81Å; F299-L305 HydrophobicContact CD2-CD1 3.62Å; F299-L305 HydrophobicContact CD2-CG 4.3Å; F299-L305 HydrophobicContact CE2-CD1 3.76Å; F299-L305 HydrophobicContact CG-CB 4.1Å; F299-H308 HydrophobicContact CE1-CB 3.86Å; F299-H308 HydrophobicContact CE2-CB 4.01Å; F299-H308 AromaticContact CE2-CD2 3.46Å; F299-H308 VanDerWaalsContact CE2-CD2 3.46Å; F299-H308 WeakPolarHBondContact CE2-CD2 3.4Å; F299-H308 AromaticContact CE2-CG 3.77Å; F299-H308 HydrophobicContact CZ-CB 3.42Å; F299-H308 VanDerWaalsContact CZ-CB 3.42Å; F299-H308 AromaticContact CZ-CD2 3.37Å; F299-H308 WeakPolarHBondContact CZ-CD2 3.28Å; F299-H308 AromaticContact CZ-CG 3.21Å; F299-H308 AromaticContact CZ-ND1 3.82Å
300	R	63.1	Low	73.1	Confident	126 Å²	126	76.8 Å²	76.8	48%	0.475	40%	0.4	S	S	.	.	S	Bend	trans	-79.2	-23.9	-178.6	-65.3	177.2	178.8	-156.1	-9.6	113.4	S283 E288	S283-R300 PolarHBondContact O-NH2 3.41Å; E288-R300 HydrophobicContact CG-CG 3.98Å; E288-R300 IonicContact OE1-NE 3.98Å
301	V	59.6	Low	73.5	Confident	75 Å²	75	76.5 Å²	76.5	46%	0.455	40%	0.404	S	S	.	.	S	Bend	trans	-139.6	137.9	-179.7	-97.1	0	0	0	0	110	V303 Q304 L305	V301-V303 PolarHBondContact O-N 3.46Å; V301-V303 VanDerWaalsContact O-N 3.17Å; V301-Q304 HydrophobicContact CG2-CB 4.44Å; V301-Q304 VanDerWaalsContact CG2-CD 3.46Å; V301-Q304 HydrophobicContact CG2-CG 3.78Å; V301-Q304 WeakPolarHBondContact O-CB 3.4Å; V301-Q304 PolarHBondContact O-N 3.36Å; V301-L305 PolarHBondContact O-N 3.26Å
302	N	63.9	Low	73.7	Confident	73 Å²	73	72.8 Å²	72.8	39%	0.39	39%	0.389	S	S	.	.	H	α-helix	trans	-57.8	-33.1	-175.3	-166.4	10.1	0	0	0	113	F290 Q304 L305 I306	F290-N302 HydrophobicContact CD1-CB 3.83Å; F290-N302 HydrophobicContact CD2-CB 4.39Å; F290-N302 HydrophobicContact CE1-CB 3.76Å; F290-N302 HydrophobicContact CE2-CB 4.32Å; F290-N302 HydrophobicContact CG-CB 4.16Å; F290-N302 HydrophobicContact CZ-CB 4.01Å; N302-Q304 VanDerWaalsContact C-N 3.25Å; N302-Q304 PolarHBondContact O-N 3.4Å; N302-L305 WeakPolarHBondContact O-CB 3.46Å; N302-L305 PolarHBondContact O-N 3.27Å; N302-I306 WeakPolarHBondContact O-CG1 3.39Å; N302-I306 PolarHBondContact O-N 3.43Å
303	V	73	Confident	73	Confident	114 Å²	114	83.3 Å²	83.3	69%	0.691	43%	0.429	S	S	*	.	H	α-helix	trans	-58	-37.8	176.2	179.7	0	0	0	0	111.9	V301 I306 A307	V301-V303 PolarHBondContact O-N 3.46Å; V301-V303 VanDerWaalsContact O-N 3.17Å; V303-I306 PolarHBondContact O-N 3.31Å; V303-A307 WeakPolarHBondContact O-CB 3.42Å; V303-A307 PolarHBondContact O-N 3.48Å
304	Q	72.6	Confident	72.2	Confident	99 Å²	99	87.2 Å²	87.2	46%	0.463	43%	0.43	S	S	.	.	H	α-helix	trans	-70	-38.8	176	-68.1	175.2	-14.4	0	0	111.6	F299 V301 N302 A307 H308	F299-Q304 HydrophobicContact CB-CB 4.23Å; F299-Q304 HydrophobicContact CD1-CB 3.76Å; F299-Q304 HydrophobicContact CG-CB 4.29Å; V301-Q304 HydrophobicContact CG2-CB 4.44Å; V301-Q304 VanDerWaalsContact CG2-CD 3.46Å; V301-Q304 HydrophobicContact CG2-CG 3.78Å; V301-Q304 WeakPolarHBondContact O-CB 3.4Å; V301-Q304 PolarHBondContact O-N 3.36Å; N302-Q304 VanDerWaalsContact C-N 3.25Å; N302-Q304 PolarHBondContact O-N 3.4Å; Q304-A307 PolarHBondContact O-N 3.3Å; Q304-H308 WeakPolarHBondContact O-CB 3.43Å; Q304-H308 PolarHBondContact O-N 3.43Å
305	L	78.2	Confident	71.3	Confident	8 Å²	8	89.3 Å²	89.3	4%	0.042	44%	0.438	C	S	.	.	H	α-helix	trans	-63.6	-42.3	173.9	174.1	60.9	0	0	0	111.5	F290 C292 F299 V301 N302 H308 K309	F290-L305 HydrophobicContact CB-CB 4.15Å; F290-L305 HydrophobicContact CB-CD2 3.83Å; C292-L305 VanDerWaalsContact CA-CD1 3.48Å; C292-L305 HydrophobicContact CB-CD1 3.57Å; F299-L305 HydrophobicContact CB-CB 4.18Å; F299-L305 HydrophobicContact CD2-CB 3.81Å; F299-L305 HydrophobicContact CD2-CD1 3.62Å; F299-L305 HydrophobicContact CD2-CG 4.3Å; F299-L305 HydrophobicContact CE2-CD1 3.76Å; F299-L305 HydrophobicContact CG-CB 4.1Å; V301-L305 PolarHBondContact O-N 3.26Å; N302-L305 WeakPolarHBondContact O-CB 3.46Å; N302-L305 PolarHBondContact O-N 3.27Å; L305-H308 PolarHBondContact O-N 3.48Å; L305-K309 HydrophobicContact CD1-CD 4.38Å; L305-K309 HydrophobicContact CD1-CG 4.17Å; L305-K309 HydrophobicContact CG-CD 4.34Å; L305-K309 WeakPolarHBondContact O-CB 3.42Å; L305-K309 WeakPolarHBondContact O-CG 3.43Å; L305-K309 PolarHBondContact O-N 3.44Å
306	I	78.3	Confident	70.2	Confident	70 Å²	70	91.6 Å²	91.6	36%	0.359	45%	0.454	S	S	.	.	H	α-helix	trans	-64.6	-46.6	178.3	-67.3	165.8	0	0	0	110.4	N302 V303 H308 K309 R310	N302-I306 WeakPolarHBondContact O-CG1 3.39Å; N302-I306 PolarHBondContact O-N 3.43Å; V303-I306 PolarHBondContact O-N 3.31Å; I306-H308 VanDerWaalsContact C-N 3.3Å; I306-H308 PolarHBondContact O-N 3.19Å; I306-K309 PolarHBondContact O-N 3.27Å; I306-R310 WeakPolarHBondContact O-CG 3.39Å; I306-R310 PolarHBondContact O-N 3.44Å
307	A	80.4	Confident	69.1	Low	52 Å²	52	102.3 Å²	102.3	43%	0.43	49%	0.49	S	S	.	.	H	α-helix	trans	-59.5	-42.9	174.7	0	0	0	0	0	111.5	V303 Q304 R310	V303-A307 WeakPolarHBondContact O-CB 3.42Å; V303-A307 PolarHBondContact O-N 3.48Å; Q304-A307 PolarHBondContact O-N 3.3Å; A307-R310 WeakPolarHBondContact O-CB 3.43Å; A307-R310 PolarHBondContact O-N 3.29Å
308	H	81.9	Confident	68.9	Low	25 Å²	25	101.3 Å²	101.3	12%	0.116	49%	0.488	C	S	.	.	H	α-helix	trans	-64.6	-42.6	176.3	173.2	66.9	0	0	0	112.8	C295 F299 Q304 L305 I306 R310 T311 H312	C295-H308 PolarHBondContact SG-NE2 3.41Å; F299-H308 HydrophobicContact CE1-CB 3.86Å; F299-H308 HydrophobicContact CE2-CB 4.01Å; F299-H308 AromaticContact CE2-CD2 3.46Å; F299-H308 VanDerWaalsContact CE2-CD2 3.46Å; F299-H308 WeakPolarHBondContact CE2-CD2 3.4Å; F299-H308 AromaticContact CE2-CG 3.77Å; F299-H308 HydrophobicContact CZ-CB 3.42Å; F299-H308 VanDerWaalsContact CZ-CB 3.42Å; F299-H308 AromaticContact CZ-CD2 3.37Å; F299-H308 WeakPolarHBondContact CZ-CD2 3.28Å; F299-H308 AromaticContact CZ-CG 3.21Å; F299-H308 AromaticContact CZ-ND1 3.82Å; Q304-H308 WeakPolarHBondContact O-CB 3.43Å; Q304-H308 PolarHBondContact O-N 3.43Å; L305-H308 PolarHBondContact O-N 3.48Å; I306-H308 VanDerWaalsContact C-N 3.3Å; I306-H308 PolarHBondContact O-N 3.19Å; H308-R310 PolarHBondContact O-N 2.98Å; H308-T311 WeakPolarHBondContact O-CB 3.44Å; H308-T311 PolarHBondContact O-N 3.47Å; H308-T311 PolarHBondContact O-OG1 3.42Å; H308-H312 AromaticContact CD2-NE2 3.82Å; H308-H312 AromaticContact CE1-CE1 4Å; H308-H312 AromaticContact CE1-NE2 3.35Å; H308-H312 PolarHBondContact CE1-NE2 3.12Å; H308-H312 VanDerWaalsContact CE1-NE2 3.35Å; H308-H312 AromaticContact NE2-CD2 3.77Å; H308-H312 AromaticContact NE2-CE1 3.91Å; H308-H312 AromaticContact NE2-NE2 2.94Å; H308-H312 PolarHBondContact NE2-NE2 2.79Å
309	K	77.1	Confident	68.9	Low	90 Å²	90	104.3 Å²	104.3	39%	0.391	50%	0.497	S	S	.	.	H	α-helix	trans	-59.2	-30.4	175.9	-78.3	179.4	177.2	-179.6	0	112.8	L305 I306 T311 H312 R313	L305-K309 HydrophobicContact CD1-CD 4.38Å; L305-K309 HydrophobicContact CD1-CG 4.17Å; L305-K309 HydrophobicContact CG-CD 4.34Å; L305-K309 WeakPolarHBondContact O-CB 3.42Å; L305-K309 WeakPolarHBondContact O-CG 3.43Å; L305-K309 PolarHBondContact O-N 3.44Å; I306-K309 PolarHBondContact O-N 3.27Å; K309-T311 PolarHBondContact O-N 3.46Å; K309-H312 PolarHBondContact O-N 3.39Å; K309-R313 PolarHBondContact O-N 3.04Å
310	R	80.6	Confident	68.7	Low	162 Å²	162	108.2 Å²	108.2	61%	0.611	52%	0.517	S	S	*	.	H	α-helix	trans	-67.3	-24	175.1	-65.5	170.6	-176.3	179.2	-0	112.9	I306 A307 H308 R313 R314	I306-R310 WeakPolarHBondContact O-CG 3.39Å; I306-R310 PolarHBondContact O-N 3.44Å; A307-R310 WeakPolarHBondContact O-CB 3.43Å; A307-R310 PolarHBondContact O-N 3.29Å; H308-R310 PolarHBondContact O-N 2.98Å; R310-R313 PolarHBondContact O-N 3.49Å; R310-R314 PolarHBondContact O-N 3.38Å
311	T	74.9	Confident	69	Low	64 Å²	64	107.1 Å²	107.1	39%	0.393	52%	0.519	S	S	.	.	H	α-helix	trans	-71	-35.6	175.1	68.6	0	0	0	0	112.1	H308 K309 R313 R314 N315	H308-T311 WeakPolarHBondContact O-CB 3.44Å; H308-T311 PolarHBondContact O-N 3.47Å; H308-T311 PolarHBondContact O-OG1 3.42Å; K309-T311 PolarHBondContact O-N 3.46Å; T311-R313 VanDerWaalsContact C-N 3.35Å; T311-R313 PolarHBondContact O-N 3.45Å; T311-R314 PolarHBondContact O-N 2.91Å; T311-N315 PolarHBondContact O-N 3.2Å
312	H	76.4	Confident	69.6	Low	55 Å²	55	109.1 Å²	109.1	26%	0.255	52%	0.523	S	S	.	.	H	α-helix	trans	-65.3	-37.2	172.8	-64.3	-59.1	0	0	0	112.4	V294 C295 H308 K309 R314 N315	V294-H312 HydrophobicContact CG1-CB 4.4Å; C295-H312 PolarHBondContact SG-NE2 3.22Å; C295-H312 VanDerWaalsContact SG-NE2 3.42Å; H308-H312 AromaticContact CD2-NE2 3.82Å; H308-H312 AromaticContact CE1-CE1 4Å; H308-H312 AromaticContact CE1-NE2 3.35Å; H308-H312 PolarHBondContact CE1-NE2 3.12Å; H308-H312 VanDerWaalsContact CE1-NE2 3.35Å; H308-H312 AromaticContact NE2-CD2 3.77Å; H308-H312 AromaticContact NE2-CE1 3.91Å; H308-H312 AromaticContact NE2-NE2 2.94Å; H308-H312 PolarHBondContact NE2-NE2 2.79Å; K309-H312 PolarHBondContact O-N 3.39Å; H312-R314 VanDerWaalsContact C-N 3.31Å; H312-R314 PolarHBondContact O-N 3.24Å; H312-N315 PolarHBondContact O-N 3.13Å
313	R	63.6	Low	70	Confident	221 Å²	221	111.5 Å²	111.5	83%	0.834	53%	0.532	S	S	*	.	H	α-helix	trans	-67.9	-26.8	175.5	-91.2	-173	170.5	173.2	-2	113.8	K309 R310 T311	K309-R313 PolarHBondContact O-N 3.04Å; R310-R313 PolarHBondContact O-N 3.49Å; T311-R313 VanDerWaalsContact C-N 3.35Å; T311-R313 PolarHBondContact O-N 3.45Å
314	R	58.8	Low	69.8	Low	206 Å²	206	111.4 Å²	111.4	78%	0.777	52%	0.521	S	S	*	.	H	α-helix	trans	-81.1	-23.5	177.4	-77.5	-179.1	176	154.3	-2.5	113.3	R310 T311 H312	R310-R314 PolarHBondContact O-N 3.38Å; T311-R314 PolarHBondContact O-N 2.91Å; H312-R314 VanDerWaalsContact C-N 3.31Å; H312-R314 PolarHBondContact O-N 3.24Å
315	N	54.8	Low	69.5	Low	143 Å²	143	112.3 Å²	112.3	77%	0.765	53%	0.525	S	S	*	.	S	Bend	trans	-95.8	8.4	179	-73	2.3	0	0	0	113.8	T311 H312	T311-N315 PolarHBondContact O-N 3.2Å; H312-N315 PolarHBondContact O-N 3.13Å
316	S	54.8	Low	68.8	Low	102 Å²	102	121 Å²	121	71%	0.713	57%	0.565	S	S	*	*			trans	-105.1	20.7	179.1	-175.7	0	0	0	0	113
317	K	44.2	Very low	67.9	Low	262 Å²	262	125.6 Å²	125.6	100%	1.139	58%	0.584	S	S	*	*			trans	-121.9	0	166.6	-86.2	-170.3	176.4	-174.6	0	109

Retrieved 317 of 317 residues in 195.5 ms (Link to these results)

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