A0A2K5NV52_CERAT Loading...

Zinc finger protein 22

Binds DNA through the consensus sequence 5'-CAATG-3'. May be involved in transcriptional regulation and may play a role in tooth formation.

AlphaFold DB , UniProt , Accession A0A2K5NV52, Species CERAT (Cercocebus atys, Sooty mangabey), Gene ZNF22, Length 224 aa.

Structure Viewer

Loading PAE data...

(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	36.2	Very low	33.4	Very low	230 Å²	230	155.7 Å²	155.7	100%	1.133	86%	0.864	S	S	*	*				0	141.9	0	-82.9	-166.7	166.5	0	0	109.7
2	R	33.7	Very low	33.2	Very low	232 Å²	232	162.8 Å²	162.8	88%	0.875	87%	0.867	S	S	*	*			trans	87.7	76.9	164.2	-59.7	175.5	-171.8	-129.9	0.5	118.2
3	L	34.8	Very low	32.9	Very low	164 Å²	164	159 Å²	159	86%	0.859	86%	0.862	S	S	*	*				18.9	111.6	122.8	-62.2	167.5	0	0	0	117.4
4	A	32.5	Very low	32.7	Very low	104 Å²	104	155.3 Å²	155.3	86%	0.86	85%	0.854	S	S	*	*			trans	-73.8	124.2	157.8	0	0	0	0	0	109.9
5	K	38.2	Very low	32.9	Very low	189 Å²	189	153.1 Å²	153.1	82%	0.822	85%	0.854	S	S	*	*			trans	-108.3	130.2	166.4	-74.1	-176.3	176.3	-177.8	0	108.7
6	P	34.9	Very low	32.9	Very low	128 Å²	128	154.6 Å²	154.6	83%	0.831	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-77.7	144.3	178.4	29.4	-31.4	0	0	0	112.2	A8	P6-A8 PolarHBondContact O-N 3.35Å
7	K	32.8	Very low	32.8	Very low	211 Å²	211	150.2 Å²	150.2	92%	0.917	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-67.3	117.5	172.1	-67.5	176.3	175.5	177.8	0	109.4
8	A	31.7	Very low	32.7	Very low	105 Å²	105	152.9 Å²	152.9	87%	0.868	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-83.7	119.3	167.3	0	0	0	0	0	109.2	P6	P6-A8 PolarHBondContact O-N 3.35Å
9	G	31.3	Very low	32.5	Very low	65 Å²	65	149.5 Å²	149.5	67%	0.67	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-74.6	156.2	-179.6	0	0	0	0	0	114.1
10	I	32.7	Very low	32.1	Very low	175 Å²	175	152.2 Å²	152.2	90%	0.897	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-57.9	127.2	168.1	-63.9	158.1	0	0	0	108.9
11	S	29.1	Very low	31.8	Very low	110 Å²	110	152.6 Å²	152.6	77%	0.769	84%	0.838	S	S	*	*			trans	-133	119.5	166.8	-40.7	0	0	0	0	110.2
12	R	30.8	Very low	31.5	Very low	240 Å²	240	148.4 Å²	148.4	91%	0.906	82%	0.82	S	S	*	*			trans	-66	140.5	167.3	-66.4	156.2	104.7	176.2	3.9	109.4
13	S	29	Very low	31.5	Very low	114 Å²	114	145.6 Å²	145.6	80%	0.797	81%	0.814	S	S	*	*			trans	-145.1	93	156.2	50	0	0	0	0	107.1
14	S	30.2	Very low	31.8	Very low	107 Å²	107	149.4 Å²	149.4	75%	0.748	82%	0.817	S	S	*	*				56.2	95.9	82.1	-148.7	0	0	0	0	112.2	Q16	S14-Q16 PolarHBondContact O-N 3.21Å
15	S	35.8	Very low	31.9	Very low	122 Å²	122	153.1 Å²	153.1	85%	0.853	81%	0.814	S	S	*	*			trans	-56.8	112.3	169.1	4.5	0	0	0	0	110.4
16	Q	32.1	Very low	31.6	Very low	178 Å²	178	150.5 Å²	150.5	83%	0.832	81%	0.814	S	S	*	*			trans	-116.4	97.7	161.4	-82.2	-176.9	-16.6	0	0	108.9	S14 K18	S14-Q16 PolarHBondContact O-N 3.21Å; Q16-K18 PolarHBondContact O-N 3.46Å
17	G	31.3	Very low	31.5	Very low	79 Å²	79	148.3 Å²	148.3	81%	0.814	82%	0.815	S	S	*	*			trans	-62.5	114	162.4	0	0	0	0	0	108.7	A19	G17-A19 PolarHBondContact O-N 3.42Å; G17-A19 VanDerWaalsContact O-N 3.14Å
18	K	31.8	Very low	31.3	Very low	199 Å²	199	149.9 Å²	149.9	87%	0.865	82%	0.815	S	S	*	*			trans	-75	102.7	169.7	-72.2	-176.6	177.5	179.4	0	107.9	Q16 Y20	Q16-K18 PolarHBondContact O-N 3.46Å; K18-Y20 PolarHBondContact O-N 2.98Å
19	A	27.9	Very low	31.3	Very low	89 Å²	89	150.6 Å²	150.6	74%	0.736	81%	0.811	S	S	*	*			trans	-55.3	117.1	163.7	0	0	0	0	0	108.6	G17 E21	G17-A19 PolarHBondContact O-N 3.42Å; G17-A19 VanDerWaalsContact O-N 3.14Å; A19-E21 PolarHBondContact O-N 3.06Å
20	Y	24.9	Very low	31.7	Very low	202 Å²	202	158 Å²	158	79%	0.792	82%	0.818	S	S	*	*			trans	-80.9	101.8	167.5	64.4	-81.7	0	0	0	106.6	K18 N22	K18-Y20 PolarHBondContact O-N 2.98Å; Y20-N22 PolarHBondContact O-N 3.19Å
21	E	27.1	Very low	31.5	Very low	161 Å²	161	156.9 Å²	156.9	75%	0.752	81%	0.81	S	S	*	*			trans	-80.1	101.3	-179.6	-162.3	158.1	168.5	0	0	109.3	A19 K23	A19-E21 PolarHBondContact O-N 3.06Å; E21-K23 PolarHBondContact O-N 3.05Å
22	N	29.3	Very low	31.7	Very low	142 Å²	142	160.1 Å²	160.1	76%	0.759	81%	0.81	S	S	*	*			trans	-77.6	86.7	-178.5	-138.5	-1.1	0	0	0	108.8	Y20 R24	Y20-N22 PolarHBondContact O-N 3.19Å; N22-R24 PolarHBondContact O-N 3.2Å
23	K	33.1	Very low	31.9	Very low	173 Å²	173	158.3 Å²	158.3	75%	0.752	80%	0.803	S	S	*	*			trans	-62.7	104.2	179	-72.9	178.8	179.8	176.4	0	110.3	E21 K25	E21-K23 PolarHBondContact O-N 3.05Å; K23-K25 PolarHBondContact O-N 2.84Å
24	R	41.2	Very low	32.3	Very low	244 Å²	244	156.2 Å²	156.2	92%	0.921	80%	0.8	S	S	*	*			trans	-62.6	115.6	160.1	-68.5	179	176.8	-175.5	-0.7	108.4	N22	N22-R24 PolarHBondContact O-N 3.2Å
25	K	34.4	Very low	32.4	Very low	183 Å²	183	158.2 Å²	158.2	80%	0.796	80%	0.799	S	S	*	*			trans	-136.4	104	157	-77.9	-167.1	178.1	-175	0	110	K23	K23-K25 PolarHBondContact O-N 2.84Å
26	T	31.4	Very low	32.4	Very low	133 Å²	133	158.4 Å²	158.4	82%	0.816	80%	0.795	S	S	*	*			trans	51.1	112.5	131.2	60.3	0	0	0	0	119.1
27	G	33.2	Very low	32.9	Very low	83 Å²	83	157.1 Å²	157.1	86%	0.856	79%	0.792	S	S	*	*			trans	51.9	101.6	131.5	0	0	0	0	0	118.2
28	R	29.2	Very low	33	Very low	243 Å²	243	164.2 Å²	164.2	92%	0.917	80%	0.795	S	S	*	*			trans	-121.8	133.4	153.7	-134.2	179.8	-176.3	-148	1	108.9
29	P	31.3	Very low	33.1	Very low	120 Å²	120	164.1 Å²	164.1	78%	0.779	79%	0.794	S	S	*	*			trans	-69.2	144.2	-169.8	-13.4	27.9	0	0	0	112.4	Q31	P29-Q31 PolarHBondContact O-N 2.66Å
30	R	39.4	Very low	33.3	Very low	220 Å²	220	166.3 Å²	166.3	83%	0.83	79%	0.794	S	S	*	*			trans	-41.8	104.6	172.4	-163.9	176.5	-179.9	-156.4	1.2	112.4	K32	R30-K32 PolarHBondContact O-N 3.2Å
31	Q	29.5	Very low	34.3	Very low	152 Å²	152	161.7 Å²	161.7	71%	0.71	79%	0.791	S	S	*	*			trans	-76.3	102.4	162.1	-70.6	-168.4	-25.8	0	0	107.8	P29 W33	P29-Q31 PolarHBondContact O-N 2.66Å; Q31-W33 PolarHBondContact O-N 3.29Å; Q31-W33 VanDerWaalsContact O-N 3.08Å
32	K	32.2	Very low	35.4	Very low	178 Å²	178	158.2 Å²	158.2	77%	0.774	79%	0.785	S	S	*	*			trans	-59.2	106.1	162.9	-76.8	179.3	175.1	179.4	0	107.2	R30 G34	R30-K32 PolarHBondContact O-N 3.2Å; K32-G34 PolarHBondContact O-N 3.41Å
33	W	35.5	Very low	36.1	Very low	202 Å²	202	159.8 Å²	159.8	77%	0.765	79%	0.792	S	S	*	*			trans	-77.3	66.3	166.7	-73.3	85.8	0	0	0	108.9	Q31 M35	Q31-W33 PolarHBondContact O-N 3.29Å; Q31-W33 VanDerWaalsContact O-N 3.08Å; W33-M35 HydrophobicContact CE3-SD 4.35Å; W33-M35 HydrophobicContact CZ3-SD 4.14Å
34	G	37.5	Very low	36.7	Very low	70 Å²	70	157 Å²	157	72%	0.722	79%	0.794	S	S	*	*			trans	-92.1	75	160.5	0	0	0	0	0	107.9	K32	K32-G34 PolarHBondContact O-N 3.41Å
35	M	32.8	Very low	37.2	Very low	150 Å²	150	157 Å²	157	74%	0.739	79%	0.794	S	S	*	*			trans	-104.5	90.7	165.6	-88.5	-179.6	167.6	0	0	107.7	W33 I37	W33-M35 HydrophobicContact CE3-SD 4.35Å; W33-M35 HydrophobicContact CZ3-SD 4.14Å; M35-I37 PolarHBondContact O-N 3.13Å; M35-I37 VanDerWaalsContact O-N 3.11Å
36	T	35.2	Very low	37.5	Very low	125 Å²	125	154.5 Å²	154.5	77%	0.767	79%	0.789	S	S	*	*			trans	-57.6	109.4	150	35.6	0	0	0	0	106.9	R38	T36-R38 PolarHBondContact O-N 2.92Å
37	I	42.9	Very low	38.2	Very low	151 Å²	151	159.5 Å²	159.5	77%	0.774	79%	0.793	S	S	*	*			trans	-68.2	90.3	168.2	-58.9	-178.7	0	0	0	106.3	M35	M35-I37 PolarHBondContact O-N 3.13Å; M35-I37 VanDerWaalsContact O-N 3.11Å
38	R	32.5	Very low	39.2	Very low	229 Å²	229	164.7 Å²	164.7	86%	0.864	79%	0.787	S	S	*	*			trans	-79.8	118.9	157.1	-84.3	-176	168.8	161.1	-3	106.6	T36 D40	T36-R38 PolarHBondContact O-N 2.92Å; R38-D40 PolarHBondContact O-N 3.48Å; R38-D40 VanDerWaalsContact O-N 3.09Å
39	F	35.2	Very low	40.4	Very low	196 Å²	196	157.7 Å²	157.7	86%	0.86	78%	0.775	S	S	*	*			trans	-76	88.4	179.6	-144.3	-93.7	0	0	0	108
40	D	31.8	Very low	41.7	Very low	135 Å²	135	159.3 Å²	159.3	72%	0.722	78%	0.777	S	S	*	*			trans	-88.1	112.8	174.1	-160.9	-83.6	0	0	0	109.9	R38 S42	R38-D40 PolarHBondContact O-N 3.48Å; R38-D40 VanDerWaalsContact O-N 3.09Å; D40-S42 PolarHBondContact O-N 2.8Å; D40-S42 VanDerWaalsContact O-N 3.08Å
41	S	46.5	Very low	42.7	Very low	105 Å²	105	155.4 Å²	155.4	73%	0.734	77%	0.772	S	S	*	*			trans	-80.6	38.5	-170.5	179.9	0	0	0	0	113.2
42	S	50.3	Low	44.6	Very low	89 Å²	89	154 Å²	154	62%	0.622	77%	0.77	S	S	*	*			trans	-147.7	41.9	-172.5	-72.9	0	0	0	0	116.9	D40	D40-S42 PolarHBondContact O-N 2.8Å; D40-S42 VanDerWaalsContact O-N 3.08Å
43	L	43.5	Very low	46.9	Very low	174 Å²	174	150.9 Å²	150.9	91%	0.911	76%	0.756	S	S	*	*			trans	-117.9	66.7	162.3	-71.9	179.5	0	0	0	112.6	R45	L43-R45 PolarHBondContact O-N 3.38Å
44	S	46	Very low	49.2	Very low	114 Å²	114	145.1 Å²	145.1	80%	0.797	74%	0.744	S	S	*	*			trans	-85	66.9	170.1	-50.6	0	0	0	0	111.3
45	R	50.1	Low	51.3	Low	244 Å²	244	146.5 Å²	146.5	92%	0.921	73%	0.729	S	S	*	*			trans	-162.9	72.4	164	-138.7	175.3	-76.4	177.4	-3.3	115.1	L43	L43-R45 PolarHBondContact O-N 3.38Å
46	L	40.6	Very low	53.8	Low	132 Å²	132	146.2 Å²	146.2	69%	0.691	72%	0.723	S	S	*	*			trans	-176	72.1	133.5	-162.9	73.5	0	0	0	109.3	R48	L46-R48 VanDerWaalsContact C-N 3.27Å; L46-R48 HydrophobicContact CG-CG 4.35Å; L46-R48 PolarHBondContact O-N 3.09Å
47	R	48	Very low	56.4	Low	237 Å²	237	140.4 Å²	140.4	89%	0.894	69%	0.688	S	S	*	*			trans	-77.9	80.1	170.9	-168.3	176.6	-175.3	174.2	0.6	108.7
48	R	54	Low	58.3	Low	192 Å²	192	139.1 Å²	139.1	73%	0.725	69%	0.687	S	S	*	*			trans	-82	107.1	161.5	-84.9	-179	176.5	147.2	-0.8	108	L46 L50	L46-R48 VanDerWaalsContact C-N 3.27Å; L46-R48 HydrophobicContact CG-CG 4.35Å; L46-R48 PolarHBondContact O-N 3.09Å; R48-L50 PolarHBondContact O-N 3.35Å
49	S	54.7	Low	60.8	Low	97 Å²	97	134.1 Å²	134.1	68%	0.678	67%	0.674	S	S	*	*			trans	10.3	87	162.8	-46.9	0	0	0	0	117.7
50	L	57.9	Low	63.1	Low	154 Å²	154	126.9 Å²	126.9	81%	0.806	65%	0.647	S	S	*	*	S	Bend	trans	-94.4	13	-176.8	-79.4	172.5	0	0	0	115.6	R48	R48-L50 PolarHBondContact O-N 3.35Å
51	D	60	Low	65.4	Low	138 Å²	138	128.7 Å²	128.7	74%	0.738	65%	0.651	S	S	*	*			trans	-130.3	0.6	-179.9	-68.8	-68.5	0	0	0	114.8	K53	D51-K53 PolarHBondContact O-N 3.39Å
52	D	70.3	Confident	67.2	Low	123 Å²	123	129.4 Å²	129.4	66%	0.658	64%	0.641	S	S	*	*			trans	-75.4	96.7	168.9	-84.7	-58.5	0	0	0	109.2	P54	D52-P54 WeakPolarHBondContact O-CD 3.44Å
53	K	80.1	Confident	69	Low	111 Å²	111	127.1 Å²	127.1	48%	0.483	63%	0.625	S	S	.	*			trans	-100.1	75	163.5	-68.2	171.9	178.6	174.8	0	108.1	D51 Y55 S63 F64	D51-K53 PolarHBondContact O-N 3.39Å; K53-Y55 PolarHBondContact O-N 2.98Å; K53-S63 VanDerWaalsContact CB-CB 3.4Å; K53-S63 WeakPolarHBondContact CD-O 3.16Å; K53-F64 CarbonylContact C-O 3.57Å; K53-F64 VanDerWaalsContact C-O 3.26Å; K53-F64 VanDerWaalsContact CA-O 3.27Å; K53-F64 WeakPolarHBondContact CA-O 2.92Å
54	P	82.8	Confident	71.1	Confident	81 Å²	81	120.8 Å²	120.8	53%	0.526	59%	0.59	S	S	.	*			trans	-67.5	-20	-170.4	26.4	-35	0	0	0	112.7	D52 K56	D52-P54 WeakPolarHBondContact O-CD 3.44Å; P54-K56 PolarHBondContact O-N 2.61Å
55	Y	82.9	Confident	73	Confident	99 Å²	99	119.1 Å²	119.1	39%	0.388	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.2	98.4	-176.2	-58.3	-72.9	0	0	0	110.7	K53 S63 F64 S67	K53-Y55 PolarHBondContact O-N 2.98Å; Y55-S63 CarbonylContact O-C 3.56Å; Y55-S63 WeakPolarHBondContact O-CA 3.47Å; Y55-F64 PolarHBondContact N-O 3.48Å; Y55-F64 PolarHBondContact O-N 3.3Å; Y55-S67 VanDerWaalsContact CE2-N 3.3Å
56	K	84.7	Confident	74.8	Confident	144 Å²	144	112.7 Å²	112.7	63%	0.626	56%	0.559	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-96.4	138.2	179.5	-54.7	-170	-179.4	178.1	0	111.7	P54	P54-K56 PolarHBondContact O-N 2.61Å
57	C	88.7	Confident	76.9	Confident	3 Å²	3	109.5 Å²	109.5	2%	0.02	55%	0.547	C	S	.	.			trans	-80.4	123.9	169.7	-179.4	0	0	0	0	109.7	E59 C60 E61 K62 F64 L70 H73 H77	C57-E59 PolarHBondContact O-N 2.95Å; C57-C60 VanDerWaalsContact SG-SG 3.67Å; C57-E61 VanDerWaalsContact O-CA 3.3Å; C57-E61 WeakPolarHBondContact O-CA 3.47Å; C57-E61 PolarHBondContact O-N 2.89Å; C57-K62 WeakPolarHBondContact CB-O 3.28Å; C57-K62 PolarHBondContact N-O 3.46Å; C57-F64 HydrophobicContact CB-CE2 4.24Å; C57-L70 HydrophobicContact CB-CD1 3.69Å; C57-H73 PolarHBondContact SG-NE2 3.42Å; C57-H73 VanDerWaalsContact SG-NE2 3.44Å; C57-H77 PolarHBondContact SG-NE2 3.47Å
58	T	83.6	Confident	78.8	Confident	124 Å²	124	101.4 Å²	101.4	76%	0.761	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-18.8	179.7	49.3	0	0	0	0	114
59	E	84.4	Confident	80.3	Confident	125 Å²	125	94.4 Å²	94.4	58%	0.584	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	-20.5	-172.9	-62.8	179.8	-158.3	0	0	114	C57 H77	C57-E59 PolarHBondContact O-N 2.95Å; E59-H77 WeakPolarHBondContact OE2-CB 3.32Å; E59-H77 IonicContact OE2-CD2 3.04Å; E59-H77 PolarHBondContact OE2-CD2 3.42Å; E59-H77 VanDerWaalsContact OE2-CD2 3.28Å; E59-H77 IonicContact OE2-CG 3.49Å; E59-H77 IonicContact OE2-ND1 3.72Å
60	C	84.9	Confident	81.8	Confident	44 Å²	44	90.7 Å²	90.7	30%	0.297	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142.4	16.2	-179.7	72	0	0	0	0	113.9	C57 K62 H73 H77	C57-C60 VanDerWaalsContact SG-SG 3.67Å; C60-K62 PolarHBondContact O-N 3.08Å; C60-H73 VanDerWaalsContact SG-CE1 3.52Å; C60-H73 PolarHBondContact SG-NE2 3.31Å; C60-H77 PolarHBondContact SG-NE2 3.4Å
61	E	80.4	Confident	83.1	Confident	172 Å²	172	89.4 Å²	89.4	80%	0.804	47%	0.466	S	S	*	.			trans	55.4	10.5	175.5	-60.2	-177.8	169.9	0	0	115.6	C57 S63	C57-E61 VanDerWaalsContact O-CA 3.3Å; C57-E61 WeakPolarHBondContact O-CA 3.47Å; C57-E61 PolarHBondContact O-N 2.89Å; E61-S63 PolarHBondContact O-N 3.11Å
62	K	84.4	Confident	84.2	Confident	120 Å²	120	86.5 Å²	86.5	52%	0.522	45%	0.448	S	S	.	.			trans	-71.9	128.5	177.1	-70.6	179.2	-172.6	176.4	0	110.5	C57 C60 F64	C57-K62 WeakPolarHBondContact CB-O 3.28Å; C57-K62 PolarHBondContact N-O 3.46Å; C60-K62 PolarHBondContact O-N 3.08Å; K62-F64 HydrophobicContact CB-CE2 3.77Å; K62-F64 HydrophobicContact CB-CZ 3.96Å; K62-F64 WeakPolarHBondContact O-CD2 3.36Å; K62-F64 VanDerWaalsContact O-CE2 3.32Å; K62-F64 WeakPolarHBondContact O-CE2 3.36Å
63	S	87.8	Confident	84.9	Confident	42 Å²	42	81.5 Å²	81.5	29%	0.294	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	141.4	177.3	-49	0	0	0	0	111.1	K53 Y55 E61	K53-S63 VanDerWaalsContact CB-CB 3.4Å; K53-S63 WeakPolarHBondContact CD-O 3.16Å; Y55-S63 CarbonylContact O-C 3.56Å; Y55-S63 WeakPolarHBondContact O-CA 3.47Å; E61-S63 PolarHBondContact O-N 3.11Å
64	F	86.8	Confident	85.2	Confident	40 Å²	40	79.7 Å²	79.7	18%	0.175	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	147.6	-177.1	-61.5	-90.1	0	0	0	110.6	K53 Y55 C57 K62 Q66 T69 L70 H73	K53-F64 CarbonylContact C-O 3.57Å; K53-F64 VanDerWaalsContact C-O 3.26Å; K53-F64 VanDerWaalsContact CA-O 3.27Å; K53-F64 WeakPolarHBondContact CA-O 2.92Å; Y55-F64 PolarHBondContact N-O 3.48Å; Y55-F64 PolarHBondContact O-N 3.3Å; C57-F64 HydrophobicContact CB-CE2 4.24Å; K62-F64 HydrophobicContact CB-CE2 3.77Å; K62-F64 HydrophobicContact CB-CZ 3.96Å; K62-F64 WeakPolarHBondContact O-CD2 3.36Å; K62-F64 VanDerWaalsContact O-CE2 3.32Å; K62-F64 WeakPolarHBondContact O-CE2 3.36Å; F64-Q66 VanDerWaalsContact C-N 3.34Å; F64-T69 WeakPolarHBondContact CB-OG1 3.41Å; F64-L70 HydrophobicContact CB-CB 4.21Å; F64-L70 HydrophobicContact CD2-CB 3.88Å; F64-L70 HydrophobicContact CD2-CD1 3.63Å; F64-L70 HydrophobicContact CD2-CG 4.34Å; F64-L70 HydrophobicContact CE2-CD1 3.78Å; F64-L70 HydrophobicContact CG-CB 4.14Å; F64-H73 HydrophobicContact CE1-CB 3.88Å; F64-H73 HydrophobicContact CE2-CB 4.01Å; F64-H73 AromaticContact CE2-CD2 3.5Å; F64-H73 VanDerWaalsContact CE2-CD2 3.5Å; F64-H73 WeakPolarHBondContact CE2-CD2 3.43Å; F64-H73 AromaticContact CE2-CG 3.7Å; F64-H73 HydrophobicContact CZ-CB 3.45Å; F64-H73 VanDerWaalsContact CZ-CB 3.45Å; F64-H73 AromaticContact CZ-CD2 3.49Å; F64-H73 VanDerWaalsContact CZ-CD2 3.49Å; F64-H73 WeakPolarHBondContact CZ-CD2 3.3Å; F64-H73 AromaticContact CZ-CG 3.2Å; F64-H73 AromaticContact CZ-ND1 3.64Å
65	S	86.7	Confident	85.2	Confident	79 Å²	79	78.4 Å²	78.4	55%	0.552	40%	0.4	S	S	*	.	S	Bend	trans	-77.9	-20.5	176.7	52.8	0	0	0	0	112.9
66	Q	86.7	Confident	85.2	Confident	110 Å²	110	78 Å²	78	51%	0.514	40%	0.404	S	S	.	.	S	Bend	trans	-133.3	140.9	-178.3	-60.3	178.6	3.7	0	0	111.7	F64 S68 T69 L70	F64-Q66 VanDerWaalsContact C-N 3.34Å; Q66-S68 VanDerWaalsContact C-N 3.3Å; Q66-S68 PolarHBondContact O-N 3.46Å; Q66-S68 PolarHBondContact OE1-OG 3.45Å; Q66-T69 HydrophobicContact CB-CG2 4.22Å; Q66-T69 PolarHBondContact O-N 2.89Å; Q66-T69 PolarHBondContact O-OG1 3.42Å; Q66-L70 PolarHBondContact O-N 3.08Å
67	S	85.9	Confident	85.2	Confident	64 Å²	64	74.3 Å²	74.3	45%	0.448	39%	0.389	S	S	.	.	H	α-helix	trans	-60.9	-37.2	176.9	57.7	0	0	0	0	112.8	Y55 T69 L70 F71	Y55-S67 VanDerWaalsContact CE2-N 3.3Å; S67-T69 VanDerWaalsContact C-N 3.3Å; S67-T69 PolarHBondContact O-N 3.02Å; S67-L70 PolarHBondContact O-N 3.07Å; S67-F71 WeakPolarHBondContact O-CB 3.47Å; S67-F71 PolarHBondContact O-N 3.22Å
68	S	86.8	Confident	84.7	Confident	68 Å²	68	78 Å²	78	48%	0.476	41%	0.411	S	S	.	.	H	α-helix	trans	-58.8	-41	176.6	58.5	0	0	0	0	112.1	Q66 Q72	Q66-S68 VanDerWaalsContact C-N 3.3Å; Q66-S68 PolarHBondContact O-N 3.46Å; Q66-S68 PolarHBondContact OE1-OG 3.45Å; S68-Q72 WeakPolarHBondContact O-CB 3.45Å; S68-Q72 PolarHBondContact O-N 3.19Å
69	T	85.4	Confident	84.4	Confident	44 Å²	44	74.2 Å²	74.2	27%	0.27	40%	0.397	S	S	.	.	H	α-helix	trans	-72.2	-36.7	177.9	63.1	0	0	0	0	112.2	F64 Q66 S67 Q72 H73	F64-T69 WeakPolarHBondContact CB-OG1 3.41Å; Q66-T69 HydrophobicContact CB-CG2 4.22Å; Q66-T69 PolarHBondContact O-N 2.89Å; Q66-T69 PolarHBondContact O-OG1 3.42Å; S67-T69 VanDerWaalsContact C-N 3.3Å; S67-T69 PolarHBondContact O-N 3.02Å; T69-Q72 PolarHBondContact O-N 3.07Å; T69-H73 VanDerWaalsContact O-CB 3.29Å; T69-H73 WeakPolarHBondContact O-CB 3.44Å; T69-H73 PolarHBondContact O-N 3.25Å
70	L	86.1	Confident	84	Confident	19 Å²	19	75.2 Å²	75.2	10%	0.099	40%	0.4	C	S	.	.	H	α-helix	trans	-63.4	-47.3	171.4	172.6	63.8	0	0	0	111.2	C57 F64 Q66 S67 Q72 H73 Q74	C57-L70 HydrophobicContact CB-CD1 3.69Å; F64-L70 HydrophobicContact CB-CB 4.21Å; F64-L70 HydrophobicContact CD2-CB 3.88Å; F64-L70 HydrophobicContact CD2-CD1 3.63Å; F64-L70 HydrophobicContact CD2-CG 4.34Å; F64-L70 HydrophobicContact CE2-CD1 3.78Å; F64-L70 HydrophobicContact CG-CB 4.14Å; Q66-L70 PolarHBondContact O-N 3.08Å; S67-L70 PolarHBondContact O-N 3.07Å; L70-Q72 VanDerWaalsContact C-N 3.3Å; L70-Q72 PolarHBondContact O-N 3.39Å; L70-H73 CarbonylContact O-C 3.56Å; L70-H73 WeakPolarHBondContact O-CA 3.27Å; L70-H73 WeakPolarHBondContact O-CB 3.5Å; L70-H73 PolarHBondContact O-N 3.34Å; L70-Q74 HydrophobicContact CD1-CG 4.28Å; L70-Q74 WeakPolarHBondContact O-CG 3.32Å; L70-Q74 PolarHBondContact O-N 2.98Å
71	F	85.1	Confident	83.7	Confident	128 Å²	128	78.6 Å²	78.6	56%	0.561	41%	0.409	S	S	*	.	H	α-helix	trans	-59.8	-42	178.4	178	-103.1	0	0	0	111.7	S67 H73 Q74	S67-F71 WeakPolarHBondContact O-CB 3.47Å; S67-F71 PolarHBondContact O-N 3.22Å; F71-H73 VanDerWaalsContact C-N 3.33Å; F71-Q74 PolarHBondContact O-N 3.43Å
72	Q	83.9	Confident	83.8	Confident	77 Å²	77	74.2 Å²	74.2	36%	0.36	40%	0.398	S	S	.	.	H	α-helix	trans	-65.5	-38.1	174.5	-172.5	178.1	67.7	0	0	112.1	S68 T69 L70 K75 Q94	S68-Q72 WeakPolarHBondContact O-CB 3.45Å; S68-Q72 PolarHBondContact O-N 3.19Å; T69-Q72 PolarHBondContact O-N 3.07Å; L70-Q72 VanDerWaalsContact C-N 3.3Å; L70-Q72 PolarHBondContact O-N 3.39Å; Q72-K75 WeakPolarHBondContact O-CB 3.34Å; Q72-K75 PolarHBondContact O-N 3.4Å; Q72-Q94 VanDerWaalsContact CD-CD 3.47Å; Q72-Q94 HydrophobicContact CG-CG 4.31Å; Q72-Q94 VanDerWaalsContact NE2-CG 3.31Å; Q72-Q94 VanDerWaalsContact NE2-NE2 3.11Å
73	H	85.6	Confident	83.9	Confident	18 Å²	18	71.4 Å²	71.4	8%	0.083	39%	0.386	C	S	.	.	H	α-helix	trans	-65.1	-41.2	175.2	167.5	73.7	0	0	0	112.5	C57 C60 F64 T69 L70 F71 K75 I76 H77	C57-H73 PolarHBondContact SG-NE2 3.42Å; C57-H73 VanDerWaalsContact SG-NE2 3.44Å; C60-H73 VanDerWaalsContact SG-CE1 3.52Å; C60-H73 PolarHBondContact SG-NE2 3.31Å; F64-H73 HydrophobicContact CE1-CB 3.88Å; F64-H73 HydrophobicContact CE2-CB 4.01Å; F64-H73 AromaticContact CE2-CD2 3.5Å; F64-H73 VanDerWaalsContact CE2-CD2 3.5Å; F64-H73 WeakPolarHBondContact CE2-CD2 3.43Å; F64-H73 AromaticContact CE2-CG 3.7Å; F64-H73 HydrophobicContact CZ-CB 3.45Å; F64-H73 VanDerWaalsContact CZ-CB 3.45Å; F64-H73 AromaticContact CZ-CD2 3.49Å; F64-H73 VanDerWaalsContact CZ-CD2 3.49Å; F64-H73 WeakPolarHBondContact CZ-CD2 3.3Å; F64-H73 AromaticContact CZ-CG 3.2Å; F64-H73 AromaticContact CZ-ND1 3.64Å; T69-H73 VanDerWaalsContact O-CB 3.29Å; T69-H73 WeakPolarHBondContact O-CB 3.44Å; T69-H73 PolarHBondContact O-N 3.25Å; L70-H73 CarbonylContact O-C 3.56Å; L70-H73 WeakPolarHBondContact O-CA 3.27Å; L70-H73 WeakPolarHBondContact O-CB 3.5Å; L70-H73 PolarHBondContact O-N 3.34Å; F71-H73 VanDerWaalsContact C-N 3.33Å; H73-K75 PolarHBondContact O-N 2.96Å; H73-K75 VanDerWaalsContact O-N 3.1Å; H73-I76 WeakPolarHBondContact O-CB 2.97Å; H73-I76 VanDerWaalsContact O-CG1 3.31Å; H73-I76 WeakPolarHBondContact O-CG1 3.29Å; H73-I76 PolarHBondContact O-N 3.05Å; H73-H77 AromaticContact CD2-NE2 3.98Å; H73-H77 AromaticContact CE1-NE2 3.73Å; H73-H77 AromaticContact NE2-CE1 3.91Å; H73-H77 AromaticContact NE2-NE2 3.14Å; H73-H77 PolarHBondContact NE2-NE2 3.11Å; H73-H77 VanDerWaalsContact NE2-NE2 3.14Å
74	Q	85.1	Confident	84	Confident	72 Å²	72	76.2 Å²	76.2	34%	0.336	40%	0.402	S	S	.	.	H	α-helix	trans	-58.7	-24.1	176.4	-75.6	176.8	-28.3	0	0	113.1	L70 F71 I76 H77 T78	L70-Q74 HydrophobicContact CD1-CG 4.28Å; L70-Q74 WeakPolarHBondContact O-CG 3.32Å; L70-Q74 PolarHBondContact O-N 2.98Å; F71-Q74 PolarHBondContact O-N 3.43Å; Q74-I76 PolarHBondContact O-N 3.17Å; Q74-H77 PolarHBondContact O-N 2.85Å; Q74-T78 PolarHBondContact O-N 3.06Å; Q74-T78 PolarHBondContact O-OG1 2.88Å
75	K	84.1	Confident	84.2	Confident	55 Å²	55	74.4 Å²	74.4	24%	0.239	39%	0.394	C	S	.	.	H	α-helix	trans	-61.4	-26.2	172.8	-60.9	-173.2	179.3	-174.6	0	112.9	Q72 H73 T78 G79 K80 F93	Q72-K75 WeakPolarHBondContact O-CB 3.34Å; Q72-K75 PolarHBondContact O-N 3.4Å; H73-K75 PolarHBondContact O-N 2.96Å; H73-K75 VanDerWaalsContact O-N 3.1Å; K75-T78 WeakPolarHBondContact CA-OG1 3.21Å; K75-T78 PolarHBondContact O-OG1 3.45Å; K75-G79 PolarHBondContact O-N 3.38Å; K75-K80 PolarHBondContact O-N 3.37Å; K75-F93 HydrophobicContact CB-CD1 3.9Å; K75-F93 HydrophobicContact CB-CE1 4.47Å; K75-F93 WeakPolarHBondContact O-CE1 3.25Å
76	I	83.1	Confident	84.3	Confident	91 Å²	91	75.5 Å²	75.5	47%	0.467	41%	0.408	S	S	.	.	H	α-helix	trans	-65.1	-45.3	178.1	-60.1	171.8	0	0	0	110.1	H73 Q74 G79 F93	H73-I76 WeakPolarHBondContact O-CB 2.97Å; H73-I76 VanDerWaalsContact O-CG1 3.31Å; H73-I76 WeakPolarHBondContact O-CG1 3.29Å; H73-I76 PolarHBondContact O-N 3.05Å; Q74-I76 PolarHBondContact O-N 3.17Å; I76-G79 PolarHBondContact O-N 2.73Å; I76-F93 HydrophobicContact CG1-CE2 4.42Å
77	H	83.3	Confident	84.4	Confident	66 Å²	66	74.9 Å²	74.9	31%	0.306	41%	0.408	S	S	.	.	H	α-helix	trans	-72.1	-41.1	-178.4	-56.1	-49.9	0	0	0	112.8	C57 E59 C60 H73 Q74 G79	C57-H77 PolarHBondContact SG-NE2 3.47Å; E59-H77 WeakPolarHBondContact OE2-CB 3.32Å; E59-H77 IonicContact OE2-CD2 3.04Å; E59-H77 PolarHBondContact OE2-CD2 3.42Å; E59-H77 VanDerWaalsContact OE2-CD2 3.28Å; E59-H77 IonicContact OE2-CG 3.49Å; E59-H77 IonicContact OE2-ND1 3.72Å; C60-H77 PolarHBondContact SG-NE2 3.4Å; H73-H77 AromaticContact CD2-NE2 3.98Å; H73-H77 AromaticContact CE1-NE2 3.73Å; H73-H77 AromaticContact NE2-CE1 3.91Å; H73-H77 AromaticContact NE2-NE2 3.14Å; H73-H77 PolarHBondContact NE2-NE2 3.11Å; H73-H77 VanDerWaalsContact NE2-NE2 3.14Å; Q74-H77 PolarHBondContact O-N 2.85Å; H77-G79 PolarHBondContact O-N 3.41Å; H77-G79 VanDerWaalsContact O-N 3.16Å
78	T	79.8	Confident	84.7	Confident	80 Å²	80	74.3 Å²	74.3	49%	0.491	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-7.6	176	58	0	0	0	0	113.3	Q74 K75 K80	Q74-T78 PolarHBondContact O-N 3.06Å; Q74-T78 PolarHBondContact O-OG1 2.88Å; K75-T78 WeakPolarHBondContact CA-OG1 3.21Å; K75-T78 PolarHBondContact O-OG1 3.45Å; T78-K80 PolarHBondContact O-N 2.83Å
79	G	76.9	Confident	84.7	Confident	45 Å²	45	72.6 Å²	72.6	46%	0.464	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.3	6.8	-177.4	0	0	0	0	0	114.5	K75 I76 H77 K81	K75-G79 PolarHBondContact O-N 3.38Å; I76-G79 PolarHBondContact O-N 2.73Å; H77-G79 PolarHBondContact O-N 3.41Å; H77-G79 VanDerWaalsContact O-N 3.16Å; G79-K81 PolarHBondContact O-N 3.47Å
80	K	75.7	Confident	84.9	Confident	146 Å²	146	76.5 Å²	76.5	64%	0.635	41%	0.41	S	S	*	.			trans	-72.9	86.2	-175.1	-73.6	-176.4	-179.5	176.6	0	111	K75 T78 S82 F93	K75-K80 PolarHBondContact O-N 3.37Å; T78-K80 PolarHBondContact O-N 2.83Å; K80-S82 PolarHBondContact O-N 3.16Å; K80-F93 WeakPolarHBondContact O-CD1 3.41Å
81	K	79.4	Confident	85	Confident	114 Å²	114	77.6 Å²	77.6	50%	0.496	42%	0.419	S	S	.	.			trans	-86.8	98.1	172.4	-65.7	168.3	172.9	179.4	0	110	G79 S91 F92 F93	G79-K81 PolarHBondContact O-N 3.47Å; K81-S91 VanDerWaalsContact CB-CB 3.43Å; K81-S91 WeakPolarHBondContact CD-O 3.33Å; K81-F92 CarbonylContact C-O 3.26Å; K81-F93 HydrophobicContact CB-CE1 4.47Å; K81-F93 HydrophobicContact CD-CZ 4.3Å; K81-F93 HydrophobicContact CG-CD1 3.85Å; K81-F93 HydrophobicContact CG-CD2 4.4Å; K81-F93 HydrophobicContact CG-CE1 3.47Å; K81-F93 VanDerWaalsContact CG-CE1 3.47Å; K81-F93 HydrophobicContact CG-CE2 4.08Å; K81-F93 HydrophobicContact CG-CG 4.3Å; K81-F93 HydrophobicContact CG-CZ 3.62Å
82	S	81.1	Confident	85.2	Confident	81 Å²	81	73.7 Å²	73.7	57%	0.566	40%	0.402	S	S	*	.			trans	-80.7	-19.1	-174.1	-51.5	0	0	0	0	114.8	K80 F92	K80-S82 PolarHBondContact O-N 3.16Å; S82-F92 PolarHBondContact N-O 2.82Å
83	H	86.6	Confident	85.3	Confident	60 Å²	60	72.3 Å²	72.3	28%	0.278	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	96.8	-171.2	-60.5	-73	0	0	0	111.5	S91 F92 S95 L98	H83-S91 CarbonylContact O-C 3.48Å; H83-S91 WeakPolarHBondContact O-CA 3.35Å; H83-F92 HydrophobicContact CB-CB 4.39Å; H83-F92 PolarHBondContact N-O 3.3Å; H83-F92 PolarHBondContact O-N 3.41Å; H83-S95 PolarHBondContact CD2-N 3.43Å; H83-S95 PolarHBondContact NE2-N 3.46Å; H83-L98 HydrophobicContact CB-CB 4.05Å; H83-L98 HydrophobicContact CB-CD2 3.88Å
84	K	89.6	Confident	85.4	Confident	144 Å²	144	74 Å²	74	63%	0.626	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.4	135.3	-179.1	-170.7	179.2	177.8	-173.6	0	111.8
85	C	92.1	Very high	85.6	Confident	2 Å²	2	73.6 Å²	73.6	1%	0.014	41%	0.408	C	S	.	.			trans	-75.9	126.1	169.3	-172.6	0	0	0	0	109.9	D87 G89 K90 F92 L98	C85-D87 VanDerWaalsContact C-N 3.33Å; C85-G89 WeakPolarHBondContact O-CA 3.34Å; C85-G89 PolarHBondContact O-N 3.12Å; C85-K90 WeakPolarHBondContact CB-O 3.46Å; C85-K90 PolarHBondContact N-O 3.37Å; C85-F92 HydrophobicContact CB-CE2 4.43Å; C85-L98 HydrophobicContact CB-CD1 3.64Å
86	A	89.2	Confident	85.8	Confident	101 Å²	101	73.8 Å²	73.8	84%	0.835	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-36.2	177.5	0	0	0	0	0	111.9
87	D	88.7	Confident	86.2	Confident	97 Å²	97	72.3 Å²	72.3	52%	0.519	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-31.2	-170.9	-53	-41.1	0	0	0	113.5	C85 H105	C85-D87 VanDerWaalsContact C-N 3.33Å; D87-H105 HydrophobicContact CB-CB 4.5Å; D87-H105 IonicContact OD2-CD2 3.22Å; D87-H105 PolarHBondContact OD2-CD2 3.41Å; D87-H105 IonicContact OD2-CG 3.34Å
88	C	91	Very high	86.6	Confident	52 Å²	52	70.5 Å²	70.5	35%	0.351	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.8	6.3	-177.7	68.4	0	0	0	0	115	K90 H101 H105	C88-K90 PolarHBondContact O-N 3.22Å; C88-H101 PolarHBondContact SG-NE2 3.13Å; C88-H105 PolarHBondContact SG-NE2 2.88Å
89	G	87.4	Confident	87.1	Confident	32 Å²	32	71.4 Å²	71.4	33%	0.33	40%	0.402	S	S	.	.			trans	68.7	-1	177.8	0	0	0	0	0	115.9	C85	C85-G89 WeakPolarHBondContact O-CA 3.34Å; C85-G89 PolarHBondContact O-N 3.12Å
90	K	88.6	Confident	87.8	Confident	126 Å²	126	72.7 Å²	72.7	55%	0.548	40%	0.396	S	S	.	.			trans	-67.4	133.2	179.7	-70.3	-179.8	-178.5	177.6	0	111.3	C85 C88 F92	C85-K90 WeakPolarHBondContact CB-O 3.46Å; C85-K90 PolarHBondContact N-O 3.37Å; C88-K90 PolarHBondContact O-N 3.22Å; K90-F92 HydrophobicContact CB-CE2 4.04Å; K90-F92 HydrophobicContact CB-CZ 4.18Å; K90-F92 WeakPolarHBondContact O-CE2 3.35Å
91	S	89.7	Confident	88.6	Confident	42 Å²	42	66.6 Å²	66.6	29%	0.294	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	143	-179.9	-52.5	0	0	0	0	112.9	K81 H83	K81-S91 VanDerWaalsContact CB-CB 3.43Å; K81-S91 WeakPolarHBondContact CD-O 3.33Å; H83-S91 CarbonylContact O-C 3.48Å; H83-S91 WeakPolarHBondContact O-CA 3.35Å
92	F	88.3	Confident	89.2	Confident	46 Å²	46	67.2 Å²	67.2	20%	0.202	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	153.7	-177.6	-59	-88.6	0	0	0	111.2	K81 S82 H83 C85 K90 N97 L98 H101	K81-F92 CarbonylContact C-O 3.26Å; S82-F92 PolarHBondContact N-O 2.82Å; H83-F92 HydrophobicContact CB-CB 4.39Å; H83-F92 PolarHBondContact N-O 3.3Å; H83-F92 PolarHBondContact O-N 3.41Å; C85-F92 HydrophobicContact CB-CE2 4.43Å; K90-F92 HydrophobicContact CB-CE2 4.04Å; K90-F92 HydrophobicContact CB-CZ 4.18Å; K90-F92 WeakPolarHBondContact O-CE2 3.35Å; F92-N97 HydrophobicContact CB-CB 4.17Å; F92-N97 HydrophobicContact CD1-CB 4Å; F92-N97 HydrophobicContact CG-CB 4.31Å; F92-L98 HydrophobicContact CB-CB 4.41Å; F92-L98 HydrophobicContact CD2-CB 3.93Å; F92-L98 HydrophobicContact CD2-CD1 3.79Å; F92-L98 HydrophobicContact CD2-CG 4.47Å; F92-L98 HydrophobicContact CE2-CD1 3.96Å; F92-L98 HydrophobicContact CG-CB 4.37Å; F92-H101 HydrophobicContact CE1-CB 3.93Å; F92-H101 HydrophobicContact CE2-CB 3.76Å; F92-H101 AromaticContact CE2-CD2 3.39Å; F92-H101 WeakPolarHBondContact CE2-CD2 3.45Å; F92-H101 AromaticContact CE2-CG 3.52Å; F92-H101 HydrophobicContact CZ-CB 3.39Å; F92-H101 AromaticContact CZ-CD2 3.48Å; F92-H101 VanDerWaalsContact CZ-CD2 3.48Å; F92-H101 WeakPolarHBondContact CZ-CD2 3.44Å; F92-H101 AromaticContact CZ-CG 3.14Å; F92-H101 AromaticContact CZ-ND1 3.53Å; F92-H101 AromaticContact CZ-NE2 3.99Å
93	F	86.2	Confident	89.8	Confident	48 Å²	48	65.6 Å²	65.6	21%	0.211	35%	0.351	C	S	.	.	S	Bend	trans	-78.4	-20	177.1	-63.7	-70.7	0	0	0	113.8	K75 I76 K80 K81	K75-F93 HydrophobicContact CB-CD1 3.9Å; K75-F93 HydrophobicContact CB-CE1 4.47Å; K75-F93 WeakPolarHBondContact O-CE1 3.25Å; I76-F93 HydrophobicContact CG1-CE2 4.42Å; K80-F93 WeakPolarHBondContact O-CD1 3.41Å; K81-F93 HydrophobicContact CB-CE1 4.47Å; K81-F93 HydrophobicContact CD-CZ 4.3Å; K81-F93 HydrophobicContact CG-CD1 3.85Å; K81-F93 HydrophobicContact CG-CD2 4.4Å; K81-F93 HydrophobicContact CG-CE1 3.47Å; K81-F93 VanDerWaalsContact CG-CE1 3.47Å; K81-F93 HydrophobicContact CG-CE2 4.08Å; K81-F93 HydrophobicContact CG-CG 4.3Å; K81-F93 HydrophobicContact CG-CZ 3.62Å
94	Q	87.2	Confident	90	Very high	54 Å²	54	67.5 Å²	67.5	25%	0.252	36%	0.362	S	S	.	.	S	Bend	trans	-132.2	145	-177.9	-52	-177.1	13.5	0	0	110.6	Q72 S96 N97 L98	Q72-Q94 VanDerWaalsContact CD-CD 3.47Å; Q72-Q94 HydrophobicContact CG-CG 4.31Å; Q72-Q94 VanDerWaalsContact NE2-CG 3.31Å; Q72-Q94 VanDerWaalsContact NE2-NE2 3.11Å; Q94-S96 VanDerWaalsContact C-N 3.34Å; Q94-S96 WeakPolarHBondContact CB-OG 3.44Å; Q94-S96 PolarHBondContact OE1-OG 2.95Å; Q94-S96 VanDerWaalsContact OE1-OG 3.1Å; Q94-N97 HydrophobicContact CB-CB 4.37Å; Q94-N97 PolarHBondContact O-N 3.29Å; Q94-L98 PolarHBondContact O-N 3.44Å
95	S	88.8	Confident	90.1	Very high	64 Å²	64	64.4 Å²	64.4	45%	0.448	35%	0.349	S	S	.	.	H	α-helix	trans	-64.7	-37.8	175.6	55.5	0	0	0	0	112.2	H83 N97 L98 I99	H83-S95 PolarHBondContact CD2-N 3.43Å; H83-S95 PolarHBondContact NE2-N 3.46Å; S95-N97 VanDerWaalsContact C-N 3.31Å; S95-N97 PolarHBondContact O-N 3.3Å; S95-L98 WeakPolarHBondContact O-CB 3.48Å; S95-L98 PolarHBondContact O-N 3.32Å; S95-L98 VanDerWaalsContact O-N 3.12Å; S95-I99 WeakPolarHBondContact O-CG1 3.38Å; S95-I99 PolarHBondContact O-N 2.9Å
96	S	89.9	Confident	90	Very high	58 Å²	58	67.6 Å²	67.6	41%	0.406	37%	0.369	S	S	.	.	H	α-helix	trans	-54.5	-45.5	174	52	0	0	0	0	112	Q94 I99 Q100	Q94-S96 VanDerWaalsContact C-N 3.34Å; Q94-S96 WeakPolarHBondContact CB-OG 3.44Å; Q94-S96 PolarHBondContact OE1-OG 2.95Å; Q94-S96 VanDerWaalsContact OE1-OG 3.1Å; S96-I99 PolarHBondContact O-N 3.47Å; S96-Q100 WeakPolarHBondContact O-CB 3.42Å; S96-Q100 PolarHBondContact O-N 3.25Å
97	N	90.9	Very high	90	Very high	60 Å²	60	64.8 Å²	64.8	32%	0.321	35%	0.35	S	S	.	.	H	α-helix	trans	-66.4	-37.8	177.5	-67.4	-17.6	0	0	0	111.7	F92 Q94 S95 H101	F92-N97 HydrophobicContact CB-CB 4.17Å; F92-N97 HydrophobicContact CD1-CB 4Å; F92-N97 HydrophobicContact CG-CB 4.31Å; Q94-N97 HydrophobicContact CB-CB 4.37Å; Q94-N97 PolarHBondContact O-N 3.29Å; S95-N97 VanDerWaalsContact C-N 3.31Å; S95-N97 PolarHBondContact O-N 3.3Å; N97-H101 WeakPolarHBondContact O-CB 3.36Å; N97-H101 PolarHBondContact O-N 3.29Å
98	L	91.9	Very high	90.2	Very high	28 Å²	28	65.4 Å²	65.4	15%	0.147	35%	0.35	C	S	.	.	H	α-helix	trans	-63.9	-45.7	173.3	173.3	61.8	0	0	0	111.4	H83 C85 F92 Q94 S95 Q100 H101 R102	H83-L98 HydrophobicContact CB-CB 4.05Å; H83-L98 HydrophobicContact CB-CD2 3.88Å; C85-L98 HydrophobicContact CB-CD1 3.64Å; F92-L98 HydrophobicContact CB-CB 4.41Å; F92-L98 HydrophobicContact CD2-CB 3.93Å; F92-L98 HydrophobicContact CD2-CD1 3.79Å; F92-L98 HydrophobicContact CD2-CG 4.47Å; F92-L98 HydrophobicContact CE2-CD1 3.96Å; F92-L98 HydrophobicContact CG-CB 4.37Å; Q94-L98 PolarHBondContact O-N 3.44Å; S95-L98 WeakPolarHBondContact O-CB 3.48Å; S95-L98 PolarHBondContact O-N 3.32Å; S95-L98 VanDerWaalsContact O-N 3.12Å; L98-Q100 VanDerWaalsContact C-N 3.34Å; L98-Q100 PolarHBondContact O-N 3.12Å; L98-H101 WeakPolarHBondContact O-CB 3.44Å; L98-H101 PolarHBondContact O-N 2.84Å; L98-R102 HydrophobicContact CD1-CG 4.31Å; L98-R102 WeakPolarHBondContact O-CG 3.47Å; L98-R102 PolarHBondContact O-N 3.46Å
99	I	90.4	Very high	90.3	Very high	99 Å²	99	67.8 Å²	67.8	51%	0.508	35%	0.354	S	S	.	.	H	α-helix	trans	-60.6	-45.8	177.8	-67.3	165	0	0	0	110.4	S95 S96 H101 R102	S95-I99 WeakPolarHBondContact O-CG1 3.38Å; S95-I99 PolarHBondContact O-N 2.9Å; S96-I99 PolarHBondContact O-N 3.47Å; I99-H101 VanDerWaalsContact C-N 3.31Å; I99-H101 PolarHBondContact O-N 2.76Å; I99-R102 PolarHBondContact O-N 3.4Å
100	Q	91.8	Very high	90.5	Very high	73 Å²	73	69.8 Å²	69.8	34%	0.341	36%	0.361	S	S	.	.	H	α-helix	trans	-61.1	-41.7	175.6	-175.1	-173.2	67.6	0	0	111.5	S96 L98 R103 Q122	S96-Q100 WeakPolarHBondContact O-CB 3.42Å; S96-Q100 PolarHBondContact O-N 3.25Å; L98-Q100 VanDerWaalsContact C-N 3.34Å; L98-Q100 PolarHBondContact O-N 3.12Å; Q100-R103 WeakPolarHBondContact O-CB 3.49Å; Q100-R103 PolarHBondContact O-N 3.37Å; Q100-Q122 HydrophobicContact CG-CG 4.21Å
101	H	92.8	Very high	90.8	Very high	18 Å²	18	67.4 Å²	67.4	8%	0.083	35%	0.349	C	S	.	.	H	α-helix	trans	-63.3	-39	176.8	171.2	70	0	0	0	112.6	C88 F92 N97 L98 I99 R103 I104 H105	C88-H101 PolarHBondContact SG-NE2 3.13Å; F92-H101 HydrophobicContact CE1-CB 3.93Å; F92-H101 HydrophobicContact CE2-CB 3.76Å; F92-H101 AromaticContact CE2-CD2 3.39Å; F92-H101 WeakPolarHBondContact CE2-CD2 3.45Å; F92-H101 AromaticContact CE2-CG 3.52Å; F92-H101 HydrophobicContact CZ-CB 3.39Å; F92-H101 AromaticContact CZ-CD2 3.48Å; F92-H101 VanDerWaalsContact CZ-CD2 3.48Å; F92-H101 WeakPolarHBondContact CZ-CD2 3.44Å; F92-H101 AromaticContact CZ-CG 3.14Å; F92-H101 AromaticContact CZ-ND1 3.53Å; F92-H101 AromaticContact CZ-NE2 3.99Å; N97-H101 WeakPolarHBondContact O-CB 3.36Å; N97-H101 PolarHBondContact O-N 3.29Å; L98-H101 WeakPolarHBondContact O-CB 3.44Å; L98-H101 PolarHBondContact O-N 2.84Å; I99-H101 VanDerWaalsContact C-N 3.31Å; I99-H101 PolarHBondContact O-N 2.76Å; H101-R103 PolarHBondContact O-N 2.9Å; H101-R103 VanDerWaalsContact O-N 3.13Å; H101-I104 WeakPolarHBondContact O-CB 3.32Å; H101-I104 VanDerWaalsContact O-CG1 3.32Å; H101-I104 WeakPolarHBondContact O-CG1 3.3Å; H101-I104 PolarHBondContact O-N 3.37Å; H101-H105 AromaticContact CE1-NE2 3.96Å; H101-H105 AromaticContact NE2-NE2 3.37Å; H101-H105 PolarHBondContact NE2-NE2 3.25Å
102	R	91.8	Very high	91.1	Very high	127 Å²	127	71.2 Å²	71.2	48%	0.479	36%	0.36	S	S	.	.	H	α-helix	trans	-58.6	-26.3	178.1	-75.6	-175.7	69.9	-136.7	-2.5	113.3	L98 I99 I104 H105 T106	L98-R102 HydrophobicContact CD1-CG 4.31Å; L98-R102 WeakPolarHBondContact O-CG 3.47Å; L98-R102 PolarHBondContact O-N 3.46Å; I99-R102 PolarHBondContact O-N 3.4Å; R102-I104 PolarHBondContact O-N 3.34Å; R102-H105 PolarHBondContact O-N 2.78Å; R102-T106 PolarHBondContact O-N 3.42Å; R102-T106 VanDerWaalsContact O-N 3.07Å; R102-T106 PolarHBondContact O-OG1 3.1Å
103	R	92.8	Very high	91.4	Very high	47 Å²	47	69 Å²	69	18%	0.177	35%	0.351	C	S	.	.	H	α-helix	trans	-60.2	-15.8	171.7	-58.6	-180	-179.3	166.9	0.5	113.4	Q100 H101 T106 G107 E108 K121	Q100-R103 WeakPolarHBondContact O-CB 3.49Å; Q100-R103 PolarHBondContact O-N 3.37Å; H101-R103 PolarHBondContact O-N 2.9Å; H101-R103 VanDerWaalsContact O-N 3.13Å; R103-T106 WeakPolarHBondContact CA-OG1 3.38Å; R103-G107 WeakPolarHBondContact O-CA 3.16Å; R103-G107 PolarHBondContact O-N 3.13Å; R103-E108 HydrophobicContact CG-CB 4.45Å; R103-K121 HydrophobicContact CB-CD 4.44Å; R103-K121 WeakPolarHBondContact CD-O 3.46Å; R103-K121 PolarHBondContact NH1-O 3.31Å; R103-K121 WeakPolarHBondContact O-CE 3.42Å; R103-K121 PolarHBondContact O-NZ 3.16Å
104	I	91.3	Very high	91.7	Very high	99 Å²	99	74.2 Å²	74.2	51%	0.508	38%	0.381	S	S	.	.	H	α-helix	trans	-72.7	-38.6	172	-58.1	176.4	0	0	0	111.2	H101 R102	H101-I104 WeakPolarHBondContact O-CB 3.32Å; H101-I104 VanDerWaalsContact O-CG1 3.32Å; H101-I104 WeakPolarHBondContact O-CG1 3.3Å; H101-I104 PolarHBondContact O-N 3.37Å; R102-I104 PolarHBondContact O-N 3.34Å
105	H	91.1	Very high	91.8	Very high	79 Å²	79	77.8 Å²	77.8	37%	0.366	40%	0.397	S	S	.	.	H	α-helix	trans	-78.7	-44.2	179.3	-61.8	-59.3	0	0	0	111.9	D87 C88 H101 R102 G107	D87-H105 HydrophobicContact CB-CB 4.5Å; D87-H105 IonicContact OD2-CD2 3.22Å; D87-H105 PolarHBondContact OD2-CD2 3.41Å; D87-H105 IonicContact OD2-CG 3.34Å; C88-H105 PolarHBondContact SG-NE2 2.88Å; H101-H105 AromaticContact CE1-NE2 3.96Å; H101-H105 AromaticContact NE2-NE2 3.37Å; H101-H105 PolarHBondContact NE2-NE2 3.25Å; R102-H105 PolarHBondContact O-N 2.78Å; H105-G107 VanDerWaalsContact C-N 3.3Å; H105-G107 PolarHBondContact O-N 2.89Å
106	T	90.3	Very high	92	Very high	70 Å²	70	77.6 Å²	77.6	43%	0.429	40%	0.396	S	S	.	.	H	α-helix	trans	-77.9	-17.2	-178.5	61.6	0	0	0	0	113.3	R102 R103 E108	R102-T106 PolarHBondContact O-N 3.42Å; R102-T106 VanDerWaalsContact O-N 3.07Å; R102-T106 PolarHBondContact O-OG1 3.1Å; R103-T106 WeakPolarHBondContact CA-OG1 3.38Å; T106-E108 PolarHBondContact O-N 3.33Å; T106-E108 WeakPolarHBondContact OG1-CG 3.41Å; T106-E108 PolarHBondContact OG1-N 3.49Å
107	G	90.2	Very high	92.1	Very high	41 Å²	41	76.4 Å²	76.4	42%	0.423	39%	0.392	S	S	.	.			trans	70.9	3.1	-174.1	0	0	0	0	0	114.1	R103 H105 K109	R103-G107 WeakPolarHBondContact O-CA 3.16Å; R103-G107 PolarHBondContact O-N 3.13Å; H105-G107 VanDerWaalsContact C-N 3.3Å; H105-G107 PolarHBondContact O-N 2.89Å; G107-K109 PolarHBondContact O-N 2.85Å
108	E	92.1	Very high	92.2	Very high	111 Å²	111	78.3 Å²	78.3	52%	0.519	40%	0.399	S	S	.	.			trans	-57.1	128	179.7	-76.4	176.6	-171.5	0	0	111.6	R103 T106	R103-E108 HydrophobicContact CG-CB 4.45Å; T106-E108 PolarHBondContact O-N 3.33Å; T106-E108 WeakPolarHBondContact OG1-CG 3.41Å; T106-E108 PolarHBondContact OG1-N 3.49Å
109	K	93.3	Very high	92.4	Very high	102 Å²	102	78.6 Å²	78.6	44%	0.443	40%	0.403	S	S	.	.			trans	-126.4	80.7	177.7	-73	164.3	154.1	-146.6	0	109.3	G107 Y111 S119 F120 K121	G107-K109 PolarHBondContact O-N 2.85Å; K109-Y111 PolarHBondContact O-N 3.36Å; K109-S119 WeakPolarHBondContact CD-O 3.46Å; K109-S119 VanDerWaalsContact CE-O 3.24Å; K109-S119 WeakPolarHBondContact CE-O 3.41Å; K109-S119 PolarHBondContact NZ-O 3.46Å; K109-F120 CarbonylContact C-O 3.54Å; K109-F120 VanDerWaalsContact CA-O 3.26Å; K109-F120 WeakPolarHBondContact CA-O 3.16Å; K109-K121 HydrophobicContact CG-CG 3.89Å
110	P	92.4	Very high	92.5	Very high	73 Å²	73	75.7 Å²	75.7	47%	0.474	39%	0.387	S	S	.	.			trans	-68.3	-17.2	-170.9	-21.5	34.3	0	0	0	114.5
111	Y	94.8	Very high	92.5	Very high	76 Å²	76	75.2 Å²	75.2	30%	0.298	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	104.3	-172	-54.8	-80.2	0	0	0	109.8	K109 S119 F120	K109-Y111 PolarHBondContact O-N 3.36Å; Y111-S119 CarbonylContact O-C 3.26Å; Y111-S119 WeakPolarHBondContact O-CA 3.24Å; Y111-F120 WeakPolarHBondContact CD2-O 2.92Å; Y111-F120 PolarHBondContact N-O 3.35Å; Y111-F120 VanDerWaalsContact N-O 3.17Å; Y111-F120 PolarHBondContact O-N 3.26Å
112	K	94.9	Very high	92.5	Very high	123 Å²	123	77.1 Å²	77.1	54%	0.535	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	140	-179.6	-171.8	176.2	177.8	-175.1	0	110.9	G117 E118	K112-G117 WeakPolarHBondContact CE-O 3.47Å; K112-E118 CarbonylContact C-O 3.52Å; K112-E118 WeakPolarHBondContact CA-O 3.13Å
113	C	94	Very high	92.6	Very high	0 Å²	0	73.8 Å²	73.8	0%	0	39%	0.389	C	S	.	.			trans	-80.4	122.2	167.9	-175	0	0	0	0	108.9	E115 G117 E118 F120 L126	C113-E115 PolarHBondContact O-N 3.1Å; C113-G117 WeakPolarHBondContact O-CA 3.42Å; C113-G117 PolarHBondContact O-N 3.12Å; C113-E118 WeakPolarHBondContact CB-O 3.37Å; C113-E118 PolarHBondContact N-O 3.11Å; C113-F120 HydrophobicContact CB-CE2 4.43Å; C113-L126 HydrophobicContact CB-CD1 3.69Å
114	D	92.3	Very high	92.5	Very high	157 Å²	157	74.3 Å²	74.3	84%	0.84	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-21.5	-179.9	-67.5	-30.2	0	0	0	112.7
115	E	91.1	Very high	92.6	Very high	128 Å²	128	72.5 Å²	72.5	60%	0.598	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-41.8	-175.5	-64.1	-179.6	-157.4	0	0	113.1	C113 H133	C113-E115 PolarHBondContact O-N 3.1Å; E115-H133 WeakPolarHBondContact OE2-CB 3.37Å; E115-H133 IonicContact OE2-CD2 3.83Å; E115-H133 PolarHBondContact OE2-CD2 2.89Å; E115-H133 IonicContact OE2-CG 3.02Å; E115-H133 IonicContact OE2-ND1 3.28Å
116	C	92.2	Very high	92.8	Very high	61 Å²	61	69.8 Å²	69.8	41%	0.412	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.7	-3.9	-178.7	64.2	0	0	0	0	114.2	E118 H129 H133	C116-E118 PolarHBondContact O-N 3.47Å; C116-H129 PolarHBondContact SG-NE2 2.8Å; C116-H133 PolarHBondContact SG-NE2 3.09Å; C116-H133 VanDerWaalsContact SG-NE2 3.42Å
117	G	91.5	Very high	92.9	Very high	33 Å²	33	70.9 Å²	70.9	34%	0.34	38%	0.382	S	S	.	.			trans	76.4	-2.9	-180	0	0	0	0	0	115.4	K112 C113	K112-G117 WeakPolarHBondContact CE-O 3.47Å; C113-G117 WeakPolarHBondContact O-CA 3.42Å; C113-G117 PolarHBondContact O-N 3.12Å
118	E	94.2	Very high	93	Very high	100 Å²	100	72.3 Å²	72.3	47%	0.467	38%	0.377	S	S	.	.			trans	-64	139	178.7	-81.6	-66.4	152.9	0	0	112.3	K112 C113 C116 F120	K112-E118 CarbonylContact C-O 3.52Å; K112-E118 WeakPolarHBondContact CA-O 3.13Å; C113-E118 WeakPolarHBondContact CB-O 3.37Å; C113-E118 PolarHBondContact N-O 3.11Å; C116-E118 PolarHBondContact O-N 3.47Å; E118-F120 HydrophobicContact CB-CE2 3.93Å; E118-F120 HydrophobicContact CB-CZ 4.07Å
119	S	94.4	Very high	93	Very high	33 Å²	33	68.3 Å²	68.3	23%	0.231	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	137.9	-176.4	-61.7	0	0	0	0	112.4	K109 Y111	K109-S119 WeakPolarHBondContact CD-O 3.46Å; K109-S119 VanDerWaalsContact CE-O 3.24Å; K109-S119 WeakPolarHBondContact CE-O 3.41Å; K109-S119 PolarHBondContact NZ-O 3.46Å; Y111-S119 CarbonylContact O-C 3.26Å; Y111-S119 WeakPolarHBondContact O-CA 3.24Å
120	F	93.1	Very high	92.9	Very high	39 Å²	39	66.9 Å²	66.9	17%	0.171	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	151.7	-174.4	-58.8	-87.3	0	0	0	112.2	K109 Y111 C113 E118 N125 L126 H129	K109-F120 CarbonylContact C-O 3.54Å; K109-F120 VanDerWaalsContact CA-O 3.26Å; K109-F120 WeakPolarHBondContact CA-O 3.16Å; Y111-F120 WeakPolarHBondContact CD2-O 2.92Å; Y111-F120 PolarHBondContact N-O 3.35Å; Y111-F120 VanDerWaalsContact N-O 3.17Å; Y111-F120 PolarHBondContact O-N 3.26Å; C113-F120 HydrophobicContact CB-CE2 4.43Å; E118-F120 HydrophobicContact CB-CE2 3.93Å; E118-F120 HydrophobicContact CB-CZ 4.07Å; F120-N125 HydrophobicContact CB-CB 4.17Å; F120-N125 HydrophobicContact CD1-CB 3.93Å; F120-N125 HydrophobicContact CG-CB 4.29Å; F120-L126 HydrophobicContact CB-CB 4.42Å; F120-L126 HydrophobicContact CD2-CB 3.96Å; F120-L126 HydrophobicContact CD2-CD1 3.83Å; F120-L126 HydrophobicContact CE2-CD1 3.99Å; F120-L126 HydrophobicContact CG-CB 4.36Å; F120-H129 HydrophobicContact CE1-CB 3.91Å; F120-H129 HydrophobicContact CE2-CB 3.87Å; F120-H129 AromaticContact CE2-CD2 3.52Å; F120-H129 AromaticContact CE2-CG 3.62Å; F120-H129 HydrophobicContact CZ-CB 3.42Å; F120-H129 VanDerWaalsContact CZ-CB 3.42Å; F120-H129 AromaticContact CZ-CD2 3.55Å; F120-H129 AromaticContact CZ-CE1 3.98Å; F120-H129 AromaticContact CZ-CG 3.18Å; F120-H129 AromaticContact CZ-ND1 3.5Å
121	K	92.5	Very high	92.9	Very high	63 Å²	63	65.9 Å²	65.9	27%	0.274	34%	0.34	S	S	.	.	S	Bend	trans	-78.8	-19.4	178.7	-62.5	-177.2	172.7	169.9	0	113.4	R103 K109	R103-K121 HydrophobicContact CB-CD 4.44Å; R103-K121 WeakPolarHBondContact CD-O 3.46Å; R103-K121 PolarHBondContact NH1-O 3.31Å; R103-K121 WeakPolarHBondContact O-CE 3.42Å; R103-K121 PolarHBondContact O-NZ 3.16Å; K109-K121 HydrophobicContact CG-CG 3.89Å
122	Q	92.5	Very high	92.8	Very high	57 Å²	57	68.1 Å²	68.1	27%	0.266	36%	0.356	S	S	.	.	S	Bend	trans	-137.3	146.3	-176	-57.7	-176.8	2.5	0	0	110.2	Q100 S124 N125 L126	Q100-Q122 HydrophobicContact CG-CG 4.21Å; Q122-S124 PolarHBondContact OE1-OG 3.04Å; Q122-N125 HydrophobicContact CB-CB 4.49Å; Q122-N125 PolarHBondContact O-N 2.95Å; Q122-L126 PolarHBondContact O-N 2.91Å
123	S	93.1	Very high	92.5	Very high	57 Å²	57	65.7 Å²	65.7	40%	0.399	35%	0.347	S	S	.	.	H	α-helix	trans	-66.2	-37.9	178	51.1	0	0	0	0	112.5	N125 L126 I127	S123-N125 PolarHBondContact O-N 3.35Å; S123-L126 WeakPolarHBondContact O-CB 3.48Å; S123-L126 PolarHBondContact O-N 3.11Å; S123-L126 VanDerWaalsContact O-N 3.1Å; S123-I127 WeakPolarHBondContact O-CG1 3.43Å; S123-I127 PolarHBondContact O-N 2.74Å
124	S	91.6	Very high	92.3	Very high	59 Å²	59	69.5 Å²	69.5	41%	0.413	37%	0.37	S	S	.	.	H	α-helix	trans	-55.6	-40	174.6	48.2	0	0	0	0	112.4	Q122 I127 Q128	Q122-S124 PolarHBondContact OE1-OG 3.04Å; S124-I127 PolarHBondContact O-N 2.74Å; S124-Q128 WeakPolarHBondContact O-CB 3.35Å; S124-Q128 PolarHBondContact O-N 3Å
125	N	93.8	Very high	92.2	Very high	60 Å²	60	64.3 Å²	64.3	32%	0.321	35%	0.354	S	S	.	.	H	α-helix	trans	-70.1	-37	178.3	-64.4	-1.7	0	0	0	111.4	F120 Q122 S123 H129	F120-N125 HydrophobicContact CB-CB 4.17Å; F120-N125 HydrophobicContact CD1-CB 3.93Å; F120-N125 HydrophobicContact CG-CB 4.29Å; Q122-N125 HydrophobicContact CB-CB 4.49Å; Q122-N125 PolarHBondContact O-N 2.95Å; S123-N125 PolarHBondContact O-N 3.35Å; N125-H129 VanDerWaalsContact O-CB 3.24Å; N125-H129 WeakPolarHBondContact O-CB 3.39Å; N125-H129 PolarHBondContact O-N 3.45Å
126	L	94.4	Very high	92.2	Very high	23 Å²	23	63.6 Å²	63.6	12%	0.12	35%	0.35	C	S	.	.	H	α-helix	trans	-63.3	-47.9	173	172.9	62	0	0	0	110.9	C113 F120 Q122 S123 Q128 H129 Q130	C113-L126 HydrophobicContact CB-CD1 3.69Å; F120-L126 HydrophobicContact CB-CB 4.42Å; F120-L126 HydrophobicContact CD2-CB 3.96Å; F120-L126 HydrophobicContact CD2-CD1 3.83Å; F120-L126 HydrophobicContact CE2-CD1 3.99Å; F120-L126 HydrophobicContact CG-CB 4.36Å; Q122-L126 PolarHBondContact O-N 2.91Å; S123-L126 WeakPolarHBondContact O-CB 3.48Å; S123-L126 PolarHBondContact O-N 3.11Å; S123-L126 VanDerWaalsContact O-N 3.1Å; L126-Q128 VanDerWaalsContact C-N 3.31Å; L126-Q128 PolarHBondContact O-N 2.87Å; L126-H129 CarbonylContact O-C 3.22Å; L126-H129 WeakPolarHBondContact O-CB 3.36Å; L126-H129 PolarHBondContact O-N 2.93Å; L126-H129 VanDerWaalsContact O-N 3.1Å; L126-Q130 HydrophobicContact CD1-CG 4.23Å; L126-Q130 WeakPolarHBondContact O-CG 3.44Å; L126-Q130 PolarHBondContact O-N 3.1Å
127	I	92.2	Very high	92.2	Very high	92 Å²	92	66.7 Å²	66.7	47%	0.472	36%	0.357	S	S	.	.	H	α-helix	trans	-60	-44	178.3	-66.4	165.7	0	0	0	110.6	S123 S124 H129 Q130	S123-I127 WeakPolarHBondContact O-CG1 3.43Å; S123-I127 PolarHBondContact O-N 2.74Å; S124-I127 PolarHBondContact O-N 2.74Å; I127-H129 VanDerWaalsContact C-N 3.32Å; I127-H129 PolarHBondContact O-N 3.4Å; I127-Q130 PolarHBondContact O-N 3.34Å
128	Q	91.7	Very high	92.2	Very high	71 Å²	71	68.6 Å²	68.6	33%	0.332	36%	0.363	S	S	.	.	H	α-helix	trans	-61.9	-41.7	175.4	178.2	-179	73.4	0	0	111.7	S124 L126 R131 Q150	S124-Q128 WeakPolarHBondContact O-CB 3.35Å; S124-Q128 PolarHBondContact O-N 3Å; L126-Q128 VanDerWaalsContact C-N 3.31Å; L126-Q128 PolarHBondContact O-N 2.87Å; Q128-R131 WeakPolarHBondContact O-CB 3.37Å; Q128-R131 PolarHBondContact O-N 3.01Å; Q128-Q150 VanDerWaalsContact CD-CD 3.5Å; Q128-Q150 HydrophobicContact CG-CG 4.24Å
129	H	92.9	Very high	92.2	Very high	28 Å²	28	67.4 Å²	67.4	13%	0.13	36%	0.355	C	S	.	.	H	α-helix	trans	-65.3	-39.3	177.8	168.6	79	0	0	0	112.2	C116 F120 N125 L126 I127 R131 I132 H133	C116-H129 PolarHBondContact SG-NE2 2.8Å; F120-H129 HydrophobicContact CE1-CB 3.91Å; F120-H129 HydrophobicContact CE2-CB 3.87Å; F120-H129 AromaticContact CE2-CD2 3.52Å; F120-H129 AromaticContact CE2-CG 3.62Å; F120-H129 HydrophobicContact CZ-CB 3.42Å; F120-H129 VanDerWaalsContact CZ-CB 3.42Å; F120-H129 AromaticContact CZ-CD2 3.55Å; F120-H129 AromaticContact CZ-CE1 3.98Å; F120-H129 AromaticContact CZ-CG 3.18Å; F120-H129 AromaticContact CZ-ND1 3.5Å; N125-H129 VanDerWaalsContact O-CB 3.24Å; N125-H129 WeakPolarHBondContact O-CB 3.39Å; N125-H129 PolarHBondContact O-N 3.45Å; L126-H129 CarbonylContact O-C 3.22Å; L126-H129 WeakPolarHBondContact O-CB 3.36Å; L126-H129 PolarHBondContact O-N 2.93Å; L126-H129 VanDerWaalsContact O-N 3.1Å; I127-H129 VanDerWaalsContact C-N 3.32Å; I127-H129 PolarHBondContact O-N 3.4Å; H129-R131 PolarHBondContact O-N 3.19Å; H129-R131 VanDerWaalsContact O-N 3.11Å; H129-I132 WeakPolarHBondContact O-CB 3.24Å; H129-I132 WeakPolarHBondContact O-CG1 3.14Å; H129-I132 PolarHBondContact O-N 3.08Å; H129-H133 AromaticContact CE1-NE2 3.99Å; H129-H133 AromaticContact NE2-NE2 3.33Å; H129-H133 PolarHBondContact NE2-NE2 3.2Å
130	Q	92.1	Very high	92.2	Very high	72 Å²	72	71.1 Å²	71.1	34%	0.336	37%	0.368	S	S	.	.	H	α-helix	trans	-57.8	-27.3	177.4	-76.1	174.6	-39.7	0	0	113	L126 I127 I132 H133 T134	L126-Q130 HydrophobicContact CD1-CG 4.23Å; L126-Q130 WeakPolarHBondContact O-CG 3.44Å; L126-Q130 PolarHBondContact O-N 3.1Å; I127-Q130 PolarHBondContact O-N 3.34Å; Q130-I132 PolarHBondContact O-N 3.19Å; Q130-I132 VanDerWaalsContact O-N 3.13Å; Q130-H133 PolarHBondContact O-N 3.08Å; Q130-T134 PolarHBondContact O-N 3.17Å; Q130-T134 VanDerWaalsContact O-N 3.11Å; Q130-T134 PolarHBondContact O-OG1 2.94Å
131	R	92.2	Very high	92.2	Very high	51 Å²	51	69.2 Å²	69.2	19%	0.192	36%	0.36	C	S	.	.	H	α-helix	trans	-61.3	-20	173.5	-60.6	179.2	-179.3	171.2	-0.9	113.7	Q128 H129 H133 T134 G135 E136 S149	Q128-R131 WeakPolarHBondContact O-CB 3.37Å; Q128-R131 PolarHBondContact O-N 3.01Å; H129-R131 PolarHBondContact O-N 3.19Å; H129-R131 VanDerWaalsContact O-N 3.11Å; R131-H133 VanDerWaalsContact C-N 3.34Å; R131-T134 WeakPolarHBondContact CA-OG1 3.41Å; R131-G135 WeakPolarHBondContact O-CA 3.26Å; R131-G135 PolarHBondContact O-N 3.33Å; R131-E136 HydrophobicContact CB-CB 4.48Å; R131-E136 HydrophobicContact CG-CB 4.34Å; R131-E136 PolarHBondContact O-N 3.31Å; R131-S149 PolarHBondContact NH1-O 3.43Å
132	I	91.1	Very high	92.2	Very high	123 Å²	123	73.1 Å²	73.1	63%	0.631	38%	0.384	S	S	*	.	H	α-helix	trans	-70.4	-36.4	174.5	-59.5	171.7	0	0	0	110.2	H129 Q130	H129-I132 WeakPolarHBondContact O-CB 3.24Å; H129-I132 WeakPolarHBondContact O-CG1 3.14Å; H129-I132 PolarHBondContact O-N 3.08Å; Q130-I132 PolarHBondContact O-N 3.19Å; Q130-I132 VanDerWaalsContact O-N 3.13Å
133	H	90.3	Very high	92.2	Very high	73 Å²	73	76.3 Å²	76.3	34%	0.338	40%	0.399	S	S	.	.	H	α-helix	trans	-79.2	-41.5	178.9	-60.1	-57.2	0	0	0	112.3	E115 C116 H129 Q130 R131 G135	E115-H133 WeakPolarHBondContact OE2-CB 3.37Å; E115-H133 IonicContact OE2-CD2 3.83Å; E115-H133 PolarHBondContact OE2-CD2 2.89Å; E115-H133 IonicContact OE2-CG 3.02Å; E115-H133 IonicContact OE2-ND1 3.28Å; C116-H133 PolarHBondContact SG-NE2 3.09Å; C116-H133 VanDerWaalsContact SG-NE2 3.42Å; H129-H133 AromaticContact CE1-NE2 3.99Å; H129-H133 AromaticContact NE2-NE2 3.33Å; H129-H133 PolarHBondContact NE2-NE2 3.2Å; Q130-H133 PolarHBondContact O-N 3.08Å; R131-H133 VanDerWaalsContact C-N 3.34Å; H133-G135 VanDerWaalsContact C-N 3.34Å
134	T	90	Very high	92.1	Very high	80 Å²	80	76.6 Å²	76.6	49%	0.491	40%	0.4	S	S	.	.	H	α-helix	trans	-79.3	-18.1	179.6	62.9	0	0	0	0	113.3	Q130 R131 E136	Q130-T134 PolarHBondContact O-N 3.17Å; Q130-T134 VanDerWaalsContact O-N 3.11Å; Q130-T134 PolarHBondContact O-OG1 2.94Å; R131-T134 WeakPolarHBondContact CA-OG1 3.41Å; T134-E136 PolarHBondContact O-N 3.31Å; T134-E136 WeakPolarHBondContact OG1-CG 3.49Å; T134-E136 PolarHBondContact OG1-N 2.81Å
135	G	89.6	Confident	92.1	Very high	48 Å²	48	75.6 Å²	75.6	50%	0.495	40%	0.399	S	S	.	.			trans	71.2	8.9	-173.8	0	0	0	0	0	114	R131 H133 K137	R131-G135 WeakPolarHBondContact O-CA 3.26Å; R131-G135 PolarHBondContact O-N 3.33Å; H133-G135 VanDerWaalsContact C-N 3.34Å; G135-K137 PolarHBondContact O-N 3.38Å
136	E	91.4	Very high	92.1	Very high	113 Å²	113	80.2 Å²	80.2	53%	0.528	41%	0.412	S	S	.	.			trans	-60.8	129.1	-179.3	-78.2	-179.9	-175.5	0	0	112.2	R131 T134	R131-E136 HydrophobicContact CB-CB 4.48Å; R131-E136 HydrophobicContact CG-CB 4.34Å; R131-E136 PolarHBondContact O-N 3.31Å; T134-E136 PolarHBondContact O-N 3.31Å; T134-E136 WeakPolarHBondContact OG1-CG 3.49Å; T134-E136 PolarHBondContact OG1-N 2.81Å
137	K	91.8	Very high	92	Very high	126 Å²	126	81.3 Å²	81.3	55%	0.548	42%	0.421	S	S	.	.			trans	-128.6	78.6	176.9	-68.4	174.5	179.5	179.5	0	110.4	G135 Y139 C147 F148	G135-K137 PolarHBondContact O-N 3.38Å; K137-Y139 PolarHBondContact O-N 3.46Å; K137-Y139 VanDerWaalsContact O-N 3.17Å; K137-C147 HydrophobicContact CB-CB 3.57Å; K137-C147 HydrophobicContact CD-CB 4.14Å; K137-C147 HydrophobicContact CG-CB 4.49Å; K137-F148 CarbonylContact C-O 3.52Å; K137-F148 VanDerWaalsContact C-O 3.24Å; K137-F148 VanDerWaalsContact CA-O 3.29Å; K137-F148 WeakPolarHBondContact CA-O 3.5Å
138	P	91.5	Very high	91.9	Very high	73 Å²	73	78.4 Å²	78.4	47%	0.474	41%	0.405	S	S	.	.			trans	-69	-14.8	-171.1	-19.6	33.1	0	0	0	114.5
139	Y	93.8	Very high	91.9	Very high	75 Å²	75	76.7 Å²	76.7	29%	0.294	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	106	-171.7	-53.4	-75.3	0	0	0	110	K137 C147 F148 S151	K137-Y139 PolarHBondContact O-N 3.46Å; K137-Y139 VanDerWaalsContact O-N 3.17Å; Y139-C147 CarbonylContact O-C 3.6Å; Y139-C147 WeakPolarHBondContact O-CA 3.39Å; Y139-F148 WeakPolarHBondContact CD2-O 3.49Å; Y139-F148 PolarHBondContact N-O 3.07Å; Y139-F148 VanDerWaalsContact N-O 3.12Å; Y139-F148 PolarHBondContact O-N 2.86Å; Y139-S151 VanDerWaalsContact CD2-N 3.33Å; Y139-S151 VanDerWaalsContact CE2-N 3.32Å
140	Q	94.3	Very high	91.8	Very high	110 Å²	110	77.6 Å²	77.6	51%	0.514	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	143	178.3	-176.3	172.2	-14.2	0	0	110.8	L154	Q140-L154 WeakPolarHBondContact O-CD2 3.48Å
141	C	93.6	Very high	91.8	Very high	0 Å²	0	76.9 Å²	76.9	0%	0	41%	0.408	C	S	.	.			trans	-84.6	121.8	166.7	-179.7	0	0	0	0	109.4	E143 C144 G145 R146 F148 L154	C141-E143 VanDerWaalsContact C-N 3.27Å; C141-E143 PolarHBondContact O-N 3.18Å; C141-C144 VanDerWaalsContact SG-SG 3.61Å; C141-G145 WeakPolarHBondContact O-CA 3.22Å; C141-G145 PolarHBondContact O-N 3.19Å; C141-R146 PolarHBondContact N-O 3.05Å; C141-F148 HydrophobicContact CB-CE2 4.44Å; C141-L154 HydrophobicContact CB-CD1 3.63Å
142	D	92.7	Very high	91.8	Very high	145 Å²	145	77.3 Å²	77.3	78%	0.775	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-27.1	-179	-59.2	-36.1	0	0	0	112.5
143	E	91.6	Very high	91.9	Very high	124 Å²	124	75 Å²	75	58%	0.579	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-35	-177.6	-63.3	-179.8	-149.9	0	0	113.5	C141 H161	C141-E143 VanDerWaalsContact C-N 3.27Å; C141-E143 PolarHBondContact O-N 3.18Å; E143-H161 WeakPolarHBondContact OE2-CB 3.3Å; E143-H161 IonicContact OE2-CD2 3.39Å; E143-H161 PolarHBondContact OE2-CD2 3.09Å; E143-H161 IonicContact OE2-CG 3.01Å; E143-H161 IonicContact OE2-ND1 3.6Å
144	C	92.4	Very high	92.1	Very high	63 Å²	63	72.6 Å²	72.6	43%	0.426	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129	4	-175.9	70.7	0	0	0	0	114.9	C141 R146 H157	C141-C144 VanDerWaalsContact SG-SG 3.61Å; C144-R146 PolarHBondContact O-N 3.41Å; C144-R146 VanDerWaalsContact O-N 3.13Å; C144-R146 VanDerWaalsContact SG-CB 3.57Å; C144-H157 PolarHBondContact SG-NE2 2.92Å
145	G	91.1	Very high	92.2	Very high	37 Å²	37	73.1 Å²	73.1	38%	0.381	39%	0.394	S	S	.	.			trans	69.8	3.5	179.4	0	0	0	0	0	115	C141 C147	C141-G145 WeakPolarHBondContact O-CA 3.22Å; C141-G145 PolarHBondContact O-N 3.19Å; G145-C147 PolarHBondContact O-N 3.49Å
146	R	92.8	Very high	92.4	Very high	157 Å²	157	74.2 Å²	74.2	59%	0.592	39%	0.386	S	S	*	.			trans	-74.3	129	-175.2	-168.1	170.7	-176.1	167.5	3.8	111.4	C141 C144 F148	C141-R146 PolarHBondContact N-O 3.05Å; C144-R146 PolarHBondContact O-N 3.41Å; C144-R146 VanDerWaalsContact O-N 3.13Å; C144-R146 VanDerWaalsContact SG-CB 3.57Å; R146-F148 HydrophobicContact CB-CE2 4.06Å; R146-F148 HydrophobicContact CB-CZ 4.32Å; R146-F148 HydrophobicContact CG-CE2 3.96Å; R146-F148 HydrophobicContact CG-CZ 3.84Å; R146-F148 WeakPolarHBondContact O-CD2 3.21Å; R146-F148 WeakPolarHBondContact O-CE2 3.32Å
147	C	93	Very high	92.5	Very high	47 Å²	47	70 Å²	70	32%	0.318	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	145.6	-179.9	-52.7	0	0	0	0	113.3	K137 Y139 G145	K137-C147 HydrophobicContact CB-CB 3.57Å; K137-C147 HydrophobicContact CD-CB 4.14Å; K137-C147 HydrophobicContact CG-CB 4.49Å; Y139-C147 CarbonylContact O-C 3.6Å; Y139-C147 WeakPolarHBondContact O-CA 3.39Å; G145-C147 PolarHBondContact O-N 3.49Å
148	F	91	Very high	92.5	Very high	31 Å²	31	67 Å²	67	14%	0.136	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	148.2	-178.3	-59.9	-90.2	0	0	0	111	K137 Y139 C141 R146 Q150 H153 L154 H157	K137-F148 CarbonylContact C-O 3.52Å; K137-F148 VanDerWaalsContact C-O 3.24Å; K137-F148 VanDerWaalsContact CA-O 3.29Å; K137-F148 WeakPolarHBondContact CA-O 3.5Å; Y139-F148 WeakPolarHBondContact CD2-O 3.49Å; Y139-F148 PolarHBondContact N-O 3.07Å; Y139-F148 VanDerWaalsContact N-O 3.12Å; Y139-F148 PolarHBondContact O-N 2.86Å; C141-F148 HydrophobicContact CB-CE2 4.44Å; R146-F148 HydrophobicContact CB-CE2 4.06Å; R146-F148 HydrophobicContact CB-CZ 4.32Å; R146-F148 HydrophobicContact CG-CE2 3.96Å; R146-F148 HydrophobicContact CG-CZ 3.84Å; R146-F148 WeakPolarHBondContact O-CD2 3.21Å; R146-F148 WeakPolarHBondContact O-CE2 3.32Å; F148-Q150 VanDerWaalsContact C-N 3.34Å; F148-H153 HydrophobicContact CB-CB 4.31Å; F148-H153 HydrophobicContact CD1-CB 3.82Å; F148-H153 HydrophobicContact CG-CB 4.32Å; F148-L154 HydrophobicContact CB-CB 4.49Å; F148-L154 HydrophobicContact CD2-CB 4.04Å; F148-L154 HydrophobicContact CD2-CD1 3.95Å; F148-L154 HydrophobicContact CE2-CD1 4.08Å; F148-L154 HydrophobicContact CG-CB 4.41Å; F148-H157 HydrophobicContact CE1-CB 4.02Å; F148-H157 HydrophobicContact CE2-CB 3.98Å; F148-H157 AromaticContact CE2-CD2 3.35Å; F148-H157 WeakPolarHBondContact CE2-CD2 3.22Å; F148-H157 AromaticContact CE2-CG 3.79Å; F148-H157 HydrophobicContact CZ-CB 3.46Å; F148-H157 VanDerWaalsContact CZ-CB 3.46Å; F148-H157 AromaticContact CZ-CD2 3.33Å; F148-H157 WeakPolarHBondContact CZ-CD2 3.44Å; F148-H157 AromaticContact CZ-CG 3.3Å; F148-H157 AromaticContact CZ-NE2 3.97Å
149	S	90.7	Very high	92.6	Very high	35 Å²	35	66.1 Å²	66.1	25%	0.245	34%	0.342	C	S	.	.	S	Bend	trans	-81.8	-12.7	176.1	57.9	0	0	0	0	113.5	R131	R131-S149 PolarHBondContact NH1-O 3.43Å
150	Q	91.6	Very high	92.5	Very high	46 Å²	46	67 Å²	67	22%	0.215	36%	0.355	C	S	.	.	S	Bend	trans	-135.1	139.8	-179.3	-50	-172.8	21.8	0	0	111.1	Q128 F148 S152 H153 L154	Q128-Q150 VanDerWaalsContact CD-CD 3.5Å; Q128-Q150 HydrophobicContact CG-CG 4.24Å; F148-Q150 VanDerWaalsContact C-N 3.34Å; Q150-S152 VanDerWaalsContact C-N 3.33Å; Q150-S152 PolarHBondContact O-N 2.88Å; Q150-H153 HydrophobicContact CB-CB 4.49Å; Q150-H153 PolarHBondContact O-N 3.13Å; Q150-L154 PolarHBondContact O-N 3.31Å
151	S	92.6	Very high	92.4	Very high	57 Å²	57	65.3 Å²	65.3	40%	0.399	35%	0.347	S	S	.	.	H	α-helix	trans	-65.9	-34.9	178.8	55.4	0	0	0	0	112.8	Y139 H153 L154 I155	Y139-S151 VanDerWaalsContact CD2-N 3.33Å; Y139-S151 VanDerWaalsContact CE2-N 3.32Å; S151-H153 VanDerWaalsContact C-N 3.26Å; S151-H153 PolarHBondContact O-N 2.92Å; S151-L154 WeakPolarHBondContact O-CB 3.44Å; S151-L154 PolarHBondContact O-N 2.86Å; S151-L154 VanDerWaalsContact O-N 3.16Å; S151-I155 WeakPolarHBondContact O-CG1 3.32Å; S151-I155 PolarHBondContact O-N 3.27Å
152	S	91.4	Very high	92.2	Very high	61 Å²	61	69.2 Å²	69.2	43%	0.427	37%	0.371	S	S	.	.	H	α-helix	trans	-58.8	-38	175.1	51.7	0	0	0	0	112.4	Q150 Q156	Q150-S152 VanDerWaalsContact C-N 3.33Å; Q150-S152 PolarHBondContact O-N 2.88Å; S152-Q156 WeakPolarHBondContact O-CB 3.48Å; S152-Q156 PolarHBondContact O-N 3.44Å
153	H	93.4	Very high	92.1	Very high	74 Å²	74	64.7 Å²	64.7	34%	0.343	36%	0.358	S	S	.	.	H	α-helix	trans	-71	-37.3	176.6	-63	164.9	0	0	0	111.7	F148 Q150 S151 Q156 H157	F148-H153 HydrophobicContact CB-CB 4.31Å; F148-H153 HydrophobicContact CD1-CB 3.82Å; F148-H153 HydrophobicContact CG-CB 4.32Å; Q150-H153 HydrophobicContact CB-CB 4.49Å; Q150-H153 PolarHBondContact O-N 3.13Å; S151-H153 VanDerWaalsContact C-N 3.26Å; S151-H153 PolarHBondContact O-N 2.92Å; H153-Q156 PolarHBondContact O-N 3.18Å; H153-H157 VanDerWaalsContact O-CB 3.25Å; H153-H157 WeakPolarHBondContact O-CB 3.43Å; H153-H157 PolarHBondContact O-N 3.14Å
154	L	94.1	Very high	92.1	Very high	23 Å²	23	64 Å²	64	12%	0.12	36%	0.355	C	S	.	.	H	α-helix	trans	-61.2	-50	172.4	172.9	61.6	0	0	0	111.2	Q140 C141 F148 Q150 S151 Q156 H157 Q158	Q140-L154 WeakPolarHBondContact O-CD2 3.48Å; C141-L154 HydrophobicContact CB-CD1 3.63Å; F148-L154 HydrophobicContact CB-CB 4.49Å; F148-L154 HydrophobicContact CD2-CB 4.04Å; F148-L154 HydrophobicContact CD2-CD1 3.95Å; F148-L154 HydrophobicContact CE2-CD1 4.08Å; F148-L154 HydrophobicContact CG-CB 4.41Å; Q150-L154 PolarHBondContact O-N 3.31Å; S151-L154 WeakPolarHBondContact O-CB 3.44Å; S151-L154 PolarHBondContact O-N 2.86Å; S151-L154 VanDerWaalsContact O-N 3.16Å; L154-Q156 VanDerWaalsContact C-N 3.31Å; L154-Q156 PolarHBondContact O-N 3.32Å; L154-H157 CarbonylContact O-C 3.55Å; L154-H157 WeakPolarHBondContact O-CA 3.38Å; L154-H157 WeakPolarHBondContact O-CB 3.41Å; L154-H157 PolarHBondContact O-N 3.23Å; L154-Q158 HydrophobicContact CD1-CG 4.21Å; L154-Q158 WeakPolarHBondContact O-CG 3.39Å; L154-Q158 PolarHBondContact O-N 3.37Å
155	I	92.6	Very high	92.1	Very high	91 Å²	91	66.9 Å²	66.9	47%	0.467	36%	0.36	S	S	.	.	H	α-helix	trans	-60.2	-42.9	179.1	-65.6	166.4	0	0	0	110.9	S151 H157 Q158 R159	S151-I155 WeakPolarHBondContact O-CG1 3.32Å; S151-I155 PolarHBondContact O-N 3.27Å; I155-H157 VanDerWaalsContact C-N 3.3Å; I155-H157 PolarHBondContact O-N 3Å; I155-Q158 PolarHBondContact O-N 3.31Å; I155-R159 PolarHBondContact O-N 3.24Å
156	Q	92.9	Very high	92.1	Very high	70 Å²	70	68.5 Å²	68.5	33%	0.327	36%	0.364	S	S	.	.	H	α-helix	trans	-61.8	-40.6	175.3	175.4	-179	83.4	0	0	111.8	S152 H153 L154 R159 Q178	S152-Q156 WeakPolarHBondContact O-CB 3.48Å; S152-Q156 PolarHBondContact O-N 3.44Å; H153-Q156 PolarHBondContact O-N 3.18Å; L154-Q156 VanDerWaalsContact C-N 3.31Å; L154-Q156 PolarHBondContact O-N 3.32Å; Q156-R159 WeakPolarHBondContact O-CB 3.5Å; Q156-R159 PolarHBondContact O-N 3.49Å; Q156-Q178 VanDerWaalsContact CD-CD 3.43Å; Q156-Q178 HydrophobicContact CG-CG 4.18Å
157	H	93.6	Very high	92.2	Very high	24 Å²	24	64.5 Å²	64.5	11%	0.111	35%	0.349	C	S	.	.	H	α-helix	trans	-67.8	-39.1	177.8	171	58.5	0	0	0	112.2	C144 F148 H153 L154 I155 R159 T160 H161	C144-H157 PolarHBondContact SG-NE2 2.92Å; F148-H157 HydrophobicContact CE1-CB 4.02Å; F148-H157 HydrophobicContact CE2-CB 3.98Å; F148-H157 AromaticContact CE2-CD2 3.35Å; F148-H157 WeakPolarHBondContact CE2-CD2 3.22Å; F148-H157 AromaticContact CE2-CG 3.79Å; F148-H157 HydrophobicContact CZ-CB 3.46Å; F148-H157 VanDerWaalsContact CZ-CB 3.46Å; F148-H157 AromaticContact CZ-CD2 3.33Å; F148-H157 WeakPolarHBondContact CZ-CD2 3.44Å; F148-H157 AromaticContact CZ-CG 3.3Å; F148-H157 AromaticContact CZ-NE2 3.97Å; H153-H157 VanDerWaalsContact O-CB 3.25Å; H153-H157 WeakPolarHBondContact O-CB 3.43Å; H153-H157 PolarHBondContact O-N 3.14Å; L154-H157 CarbonylContact O-C 3.55Å; L154-H157 WeakPolarHBondContact O-CA 3.38Å; L154-H157 WeakPolarHBondContact O-CB 3.41Å; L154-H157 PolarHBondContact O-N 3.23Å; I155-H157 VanDerWaalsContact C-N 3.3Å; I155-H157 PolarHBondContact O-N 3Å; H157-R159 PolarHBondContact O-N 3.35Å; H157-R159 VanDerWaalsContact O-N 3.16Å; H157-T160 PolarHBondContact ND1-OG1 3.46Å; H157-T160 WeakPolarHBondContact O-CA 3.44Å; H157-T160 VanDerWaalsContact O-CB 3.28Å; H157-T160 WeakPolarHBondContact O-CB 3.49Å; H157-T160 WeakPolarHBondContact O-CG2 3.31Å; H157-T160 PolarHBondContact O-N 3.33Å; H157-T160 PolarHBondContact O-OG1 3.14Å; H157-H161 AromaticContact CE1-NE2 3.61Å; H157-H161 AromaticContact NE2-NE2 3.38Å; H157-H161 PolarHBondContact NE2-NE2 2.89Å
158	Q	93	Very high	92.2	Very high	65 Å²	65	68.2 Å²	68.2	30%	0.304	36%	0.362	S	S	.	.	H	α-helix	trans	-56.7	-33	175.8	-75.7	172.9	-38.2	0	0	112.4	L154 I155 T160 H161 T162	L154-Q158 HydrophobicContact CD1-CG 4.21Å; L154-Q158 WeakPolarHBondContact O-CG 3.39Å; L154-Q158 PolarHBondContact O-N 3.37Å; I155-Q158 PolarHBondContact O-N 3.31Å; Q158-T160 PolarHBondContact O-N 3.12Å; Q158-T160 VanDerWaalsContact O-N 3.12Å; Q158-H161 WeakPolarHBondContact O-CB 3.16Å; Q158-H161 PolarHBondContact O-N 3.44Å; Q158-T162 PolarHBondContact O-N 3.39Å
159	R	93.2	Very high	92.4	Very high	54 Å²	54	66.8 Å²	66.8	20%	0.204	36%	0.356	C	S	.	.	H	α-helix	trans	-62	-19.2	173	-62.4	177.7	178.6	169.8	0.9	114.2	I155 Q156 H157 H161 G163 E164 S177	I155-R159 PolarHBondContact O-N 3.24Å; Q156-R159 WeakPolarHBondContact O-CB 3.5Å; Q156-R159 PolarHBondContact O-N 3.49Å; H157-R159 PolarHBondContact O-N 3.35Å; H157-R159 VanDerWaalsContact O-N 3.16Å; R159-H161 VanDerWaalsContact C-N 3.31Å; R159-G163 WeakPolarHBondContact O-CA 3.35Å; R159-G163 PolarHBondContact O-N 3.45Å; R159-E164 HydrophobicContact CB-CB 4.45Å; R159-E164 HydrophobicContact CG-CB 4.3Å; R159-E164 PolarHBondContact O-N 3.1Å; R159-S177 PolarHBondContact NH1-O 3.45Å
160	T	91.7	Very high	92.4	Very high	92 Å²	92	70.4 Å²	70.4	56%	0.564	38%	0.381	S	S	*	.	H	α-helix	trans	-75.2	-23.8	174.8	69.4	0	0	0	0	112.4	H157 Q158	H157-T160 PolarHBondContact ND1-OG1 3.46Å; H157-T160 WeakPolarHBondContact O-CA 3.44Å; H157-T160 VanDerWaalsContact O-CB 3.28Å; H157-T160 WeakPolarHBondContact O-CB 3.49Å; H157-T160 WeakPolarHBondContact O-CG2 3.31Å; H157-T160 PolarHBondContact O-N 3.33Å; H157-T160 PolarHBondContact O-OG1 3.14Å; Q158-T160 PolarHBondContact O-N 3.12Å; Q158-T160 VanDerWaalsContact O-N 3.12Å
161	H	90.9	Very high	92.4	Very high	76 Å²	76	73.5 Å²	73.5	35%	0.352	40%	0.396	S	S	.	.	H	α-helix	trans	-83.3	-45.2	173.3	-61.9	-64.8	0	0	0	111.7	E143 H157 Q158 R159 G163	E143-H161 WeakPolarHBondContact OE2-CB 3.3Å; E143-H161 IonicContact OE2-CD2 3.39Å; E143-H161 PolarHBondContact OE2-CD2 3.09Å; E143-H161 IonicContact OE2-CG 3.01Å; E143-H161 IonicContact OE2-ND1 3.6Å; H157-H161 AromaticContact CE1-NE2 3.61Å; H157-H161 AromaticContact NE2-NE2 3.38Å; H157-H161 PolarHBondContact NE2-NE2 2.89Å; Q158-H161 WeakPolarHBondContact O-CB 3.16Å; Q158-H161 PolarHBondContact O-N 3.44Å; R159-H161 VanDerWaalsContact C-N 3.31Å; H161-G163 VanDerWaalsContact C-N 3.33Å; H161-G163 PolarHBondContact O-N 2.92Å
162	T	90.3	Very high	92.4	Very high	82 Å²	82	73.4 Å²	73.4	50%	0.503	39%	0.394	S	S	.	.	H	α-helix	trans	-77.9	-17.7	-179.3	63.4	0	0	0	0	113.6	Q158 E164	Q158-T162 PolarHBondContact O-N 3.39Å; T162-E164 PolarHBondContact O-N 2.85Å; T162-E164 WeakPolarHBondContact OG1-CG 3.35Å; T162-E164 PolarHBondContact OG1-N 3.04Å
163	G	89.8	Confident	92.4	Very high	49 Å²	49	72.1 Å²	72.1	51%	0.505	39%	0.391	S	S	.	.			trans	71.3	9.5	-174.8	0	0	0	0	0	114.1	R159 H161 K165	R159-G163 WeakPolarHBondContact O-CA 3.35Å; R159-G163 PolarHBondContact O-N 3.45Å; H161-G163 VanDerWaalsContact C-N 3.33Å; H161-G163 PolarHBondContact O-N 2.92Å; G163-K165 PolarHBondContact O-N 2.77Å
164	E	92.3	Very high	92.3	Very high	109 Å²	109	74.6 Å²	74.6	51%	0.509	40%	0.401	S	S	.	.			trans	-59.2	130.6	-179.5	-79.8	-178.4	-172.3	0	0	112.4	R159 T162	R159-E164 HydrophobicContact CB-CB 4.45Å; R159-E164 HydrophobicContact CG-CB 4.3Å; R159-E164 PolarHBondContact O-N 3.1Å; T162-E164 PolarHBondContact O-N 2.85Å; T162-E164 WeakPolarHBondContact OG1-CG 3.35Å; T162-E164 PolarHBondContact OG1-N 3.04Å
165	K	91.5	Very high	92.3	Very high	125 Å²	125	76.1 Å²	76.1	54%	0.543	41%	0.413	S	S	.	.			trans	-127.7	76.4	177.2	-67.9	174	-179.3	179.1	0	111	G163 Y167 C175 F176	G163-K165 PolarHBondContact O-N 2.77Å; K165-Y167 PolarHBondContact O-N 3.02Å; K165-Y167 VanDerWaalsContact O-N 3.13Å; K165-C175 HydrophobicContact CB-CB 3.61Å; K165-C175 HydrophobicContact CD-CB 4.25Å; K165-F176 CarbonylContact C-O 3.51Å; K165-F176 VanDerWaalsContact C-O 3.26Å; K165-F176 VanDerWaalsContact CA-O 3.32Å; K165-F176 WeakPolarHBondContact CA-O 3.27Å
166	P	92	Very high	92.2	Very high	70 Å²	70	73.9 Å²	73.9	46%	0.455	40%	0.399	S	S	.	.			trans	-68.6	-14.2	-171.7	-19.9	33.5	0	0	0	114.4
167	Y	94	Very high	92.1	Very high	74 Å²	74	72 Å²	72	29%	0.29	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	100	-171.7	-54.7	-72.9	0	0	0	110.5	K165 C175 F176 S177 S179	K165-Y167 PolarHBondContact O-N 3.02Å; K165-Y167 VanDerWaalsContact O-N 3.13Å; Y167-C175 CarbonylContact O-C 3.59Å; Y167-C175 WeakPolarHBondContact O-CA 3.45Å; Y167-F176 WeakPolarHBondContact CB-O 2.98Å; Y167-F176 WeakPolarHBondContact CD2-O 3.41Å; Y167-F176 PolarHBondContact N-O 2.97Å; Y167-F176 VanDerWaalsContact N-O 3.12Å; Y167-F176 PolarHBondContact O-N 3.19Å; Y167-S177 WeakPolarHBondContact CE2-O 3.32Å; Y167-S179 VanDerWaalsContact CD2-N 3.33Å; Y167-S179 VanDerWaalsContact CE2-N 3.33Å
168	Q	94.8	Very high	92.1	Very high	125 Å²	125	72.9 Å²	72.9	58%	0.584	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.5	137.6	177.2	-169.5	174.7	20.9	0	0	111.7	G173	Q168-G173 PolarHBondContact NE2-O 3.29Å
169	C	93.9	Very high	92.1	Very high	1 Å²	1	72.3 Å²	72.3	1%	0.007	40%	0.402	C	S	.	.			trans	-73.4	122.9	166.4	178.4	0	0	0	0	109.7	E171 C172 G173 K174 F176 L182 M186	C169-E171 PolarHBondContact O-N 2.78Å; C169-E171 PolarHBondContact SG-N 2.99Å; C169-E171 VanDerWaalsContact SG-N 3.4Å; C169-C172 PolarHBondContact SG-N 2.99Å; C169-G173 WeakPolarHBondContact O-CA 3.05Å; C169-G173 PolarHBondContact O-N 3.32Å; C169-K174 HydrophobicContact CB-CB 4.45Å; C169-K174 WeakPolarHBondContact CB-O 3.41Å; C169-K174 PolarHBondContact N-O 2.69Å; C169-F176 HydrophobicContact CB-CE2 4.4Å; C169-L182 HydrophobicContact CB-CD1 3.8Å; C169-M186 HydrophobicContact CB-SD 4.39Å
170	S	91.6	Very high	92.1	Very high	110 Å²	110	72.3 Å²	72.3	77%	0.769	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-22	177.4	52.6	0	0	0	0	113.5
171	E	90.3	Very high	92.2	Very high	112 Å²	112	71.5 Å²	71.5	52%	0.523	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-40.7	-174.3	-62.5	-173.6	-144.4	0	0	112.7	C169 M186 H189	C169-E171 PolarHBondContact O-N 2.78Å; C169-E171 PolarHBondContact SG-N 2.99Å; C169-E171 VanDerWaalsContact SG-N 3.4Å; E171-M186 HydrophobicContact CG-CE 4.06Å; E171-M186 WeakPolarHBondContact OE1-CE 3.36Å; E171-H189 WeakPolarHBondContact OE2-CB 3.42Å; E171-H189 IonicContact OE2-CD2 3.77Å; E171-H189 IonicContact OE2-CG 3.78Å; E171-H189 IonicContact OE2-ND1 3.77Å
172	C	93.1	Very high	92.4	Very high	54 Å²	54	69.3 Å²	69.3	37%	0.365	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.6	5.2	-179.2	71.4	0	0	0	0	114.9	C169 K174 H185 H189	C169-C172 PolarHBondContact SG-N 2.99Å; C172-K174 PolarHBondContact O-N 3.28Å; C172-K174 VanDerWaalsContact O-N 3.07Å; C172-K174 VanDerWaalsContact SG-CG 3.56Å; C172-H185 PolarHBondContact SG-NE2 3.35Å; C172-H189 PolarHBondContact SG-NE2 3.18Å; C172-H189 VanDerWaalsContact SG-NE2 3.42Å
173	G	90.8	Very high	92.5	Very high	35 Å²	35	73.7 Å²	73.7	36%	0.361	40%	0.398	S	S	.	.			trans	71.4	-1.7	177.5	0	0	0	0	0	115.4	Q168 C169 C175	Q168-G173 PolarHBondContact NE2-O 3.29Å; C169-G173 WeakPolarHBondContact O-CA 3.05Å; C169-G173 PolarHBondContact O-N 3.32Å; G173-C175 PolarHBondContact O-N 3.21Å
174	K	92.2	Very high	92.7	Very high	126 Å²	126	77.6 Å²	77.6	55%	0.548	40%	0.403	S	S	.	.			trans	-65.3	130.7	-179.5	-73	179.2	-176.2	174.3	0	111.8	C169 C172 F176	C169-K174 HydrophobicContact CB-CB 4.45Å; C169-K174 WeakPolarHBondContact CB-O 3.41Å; C169-K174 PolarHBondContact N-O 2.69Å; C172-K174 PolarHBondContact O-N 3.28Å; C172-K174 VanDerWaalsContact O-N 3.07Å; C172-K174 VanDerWaalsContact SG-CG 3.56Å; K174-F176 HydrophobicContact CB-CE2 3.94Å; K174-F176 HydrophobicContact CB-CZ 4.15Å; K174-F176 WeakPolarHBondContact O-CE2 3.29Å
175	C	93.5	Very high	92.7	Very high	55 Å²	55	73.6 Å²	73.6	37%	0.372	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	142.4	179	-57.3	0	0	0	0	112.4	K165 Y167 G173	K165-C175 HydrophobicContact CB-CB 3.61Å; K165-C175 HydrophobicContact CD-CB 4.25Å; Y167-C175 CarbonylContact O-C 3.59Å; Y167-C175 WeakPolarHBondContact O-CA 3.45Å; G173-C175 PolarHBondContact O-N 3.21Å
176	F	91.4	Very high	92.7	Very high	43 Å²	43	69.6 Å²	69.6	19%	0.189	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	148.1	-179.7	-58.9	-90.5	0	0	0	110.8	K165 Y167 C169 K174 Q178 H181 L182 H185	K165-F176 CarbonylContact C-O 3.51Å; K165-F176 VanDerWaalsContact C-O 3.26Å; K165-F176 VanDerWaalsContact CA-O 3.32Å; K165-F176 WeakPolarHBondContact CA-O 3.27Å; Y167-F176 WeakPolarHBondContact CB-O 2.98Å; Y167-F176 WeakPolarHBondContact CD2-O 3.41Å; Y167-F176 PolarHBondContact N-O 2.97Å; Y167-F176 VanDerWaalsContact N-O 3.12Å; Y167-F176 PolarHBondContact O-N 3.19Å; C169-F176 HydrophobicContact CB-CE2 4.4Å; K174-F176 HydrophobicContact CB-CE2 3.94Å; K174-F176 HydrophobicContact CB-CZ 4.15Å; K174-F176 WeakPolarHBondContact O-CE2 3.29Å; F176-Q178 VanDerWaalsContact C-N 3.33Å; F176-H181 HydrophobicContact CB-CB 4.27Å; F176-H181 HydrophobicContact CD1-CB 3.81Å; F176-H181 HydrophobicContact CG-CB 4.29Å; F176-L182 HydrophobicContact CB-CB 4.41Å; F176-L182 HydrophobicContact CD2-CB 3.93Å; F176-L182 HydrophobicContact CD2-CD1 3.89Å; F176-L182 HydrophobicContact CE2-CD1 3.98Å; F176-L182 HydrophobicContact CG-CB 4.32Å; F176-H185 HydrophobicContact CE1-CB 4.08Å; F176-H185 HydrophobicContact CE2-CB 3.98Å; F176-H185 AromaticContact CE2-CD2 3.44Å; F176-H185 VanDerWaalsContact CE2-CD2 3.44Å; F176-H185 WeakPolarHBondContact CE2-CD2 3.49Å; F176-H185 AromaticContact CE2-CG 3.78Å; F176-H185 HydrophobicContact CZ-CB 3.49Å; F176-H185 VanDerWaalsContact CZ-CB 3.49Å; F176-H185 AromaticContact CZ-CD2 3.47Å; F176-H185 VanDerWaalsContact CZ-CD2 3.47Å; F176-H185 WeakPolarHBondContact CZ-CD2 3.5Å; F176-H185 AromaticContact CZ-CG 3.33Å; F176-H185 AromaticContact CZ-ND1 3.98Å
177	S	91.5	Very high	92.6	Very high	32 Å²	32	72.1 Å²	72.1	22%	0.224	37%	0.371	C	S	.	.	S	Bend	trans	-78.8	-16.9	175.9	55.3	0	0	0	0	113.4	R159 Y167	R159-S177 PolarHBondContact NH1-O 3.45Å; Y167-S177 WeakPolarHBondContact CE2-O 3.32Å
178	Q	92.9	Very high	92.3	Very high	42 Å²	42	72.3 Å²	72.3	20%	0.196	38%	0.38	C	S	.	.	S	Bend	trans	-131.8	141.1	-178.8	-50.5	-174.3	22.3	0	0	111.9	Q156 F176 S180 H181 L182	Q156-Q178 VanDerWaalsContact CD-CD 3.43Å; Q156-Q178 HydrophobicContact CG-CG 4.18Å; F176-Q178 VanDerWaalsContact C-N 3.33Å; Q178-S180 VanDerWaalsContact C-N 3.3Å; Q178-S180 PolarHBondContact O-N 2.91Å; Q178-S180 PolarHBondContact OE1-OG 3.25Å; Q178-H181 HydrophobicContact CB-CB 4.49Å; Q178-H181 VanDerWaalsContact CD-CE1 3.47Å; Q178-H181 PolarHBondContact O-N 3.31Å; Q178-L182 PolarHBondContact O-N 3.42Å
179	S	93.4	Very high	91.8	Very high	53 Å²	53	67.8 Å²	67.8	37%	0.371	36%	0.359	S	S	.	.	H	α-helix	trans	-69.4	-27.7	178.4	60.9	0	0	0	0	113.1	Y167 L182 R183	Y167-S179 VanDerWaalsContact CD2-N 3.33Å; Y167-S179 VanDerWaalsContact CE2-N 3.33Å; S179-L182 PolarHBondContact O-N 3.23Å; S179-R183 WeakPolarHBondContact O-CB 3.45Å; S179-R183 PolarHBondContact O-N 3.48Å
180	S	93.1	Very high	90.9	Very high	54 Å²	54	75.6 Å²	75.6	38%	0.378	39%	0.393	S	S	.	.	H	α-helix	trans	-61	-45.7	172.6	47.8	0	0	0	0	111.5	Q178 R183 Q184	Q178-S180 VanDerWaalsContact C-N 3.3Å; Q178-S180 PolarHBondContact O-N 2.91Å; Q178-S180 PolarHBondContact OE1-OG 3.25Å; S180-R183 PolarHBondContact O-N 2.75Å; S180-Q184 PolarHBondContact O-N 3Å
181	H	94	Very high	89.5	Confident	75 Å²	75	74.5 Å²	74.5	35%	0.347	38%	0.375	S	S	.	.	H	α-helix	trans	-65	-43.5	177.3	-61.7	166	0	0	0	111.4	F176 Q178 R183 Q184 H185	F176-H181 HydrophobicContact CB-CB 4.27Å; F176-H181 HydrophobicContact CD1-CB 3.81Å; F176-H181 HydrophobicContact CG-CB 4.29Å; Q178-H181 HydrophobicContact CB-CB 4.49Å; Q178-H181 VanDerWaalsContact CD-CE1 3.47Å; Q178-H181 PolarHBondContact O-N 3.31Å; H181-R183 PolarHBondContact O-N 3.1Å; H181-Q184 PolarHBondContact O-N 3.34Å; H181-H185 WeakPolarHBondContact O-CB 3.2Å; H181-H185 PolarHBondContact O-N 3.38Å
182	L	94.3	Very high	87.8	Confident	30 Å²	30	76 Å²	76	16%	0.157	38%	0.383	C	S	.	.	H	α-helix	trans	-57.8	-49.5	172.3	173.6	60.9	0	0	0	110.7	C169 F176 Q178 S179 Q184 H185 M186	C169-L182 HydrophobicContact CB-CD1 3.8Å; F176-L182 HydrophobicContact CB-CB 4.41Å; F176-L182 HydrophobicContact CD2-CB 3.93Å; F176-L182 HydrophobicContact CD2-CD1 3.89Å; F176-L182 HydrophobicContact CE2-CD1 3.98Å; F176-L182 HydrophobicContact CG-CB 4.32Å; Q178-L182 PolarHBondContact O-N 3.42Å; S179-L182 PolarHBondContact O-N 3.23Å; L182-Q184 VanDerWaalsContact C-N 3.28Å; L182-Q184 PolarHBondContact O-N 3.06Å; L182-H185 CarbonylContact O-C 3.53Å; L182-H185 WeakPolarHBondContact O-CB 3.46Å; L182-H185 PolarHBondContact O-N 2.79Å; L182-H185 VanDerWaalsContact O-N 3.08Å; L182-M186 HydrophobicContact CD1-CG 3.99Å; L182-M186 HydrophobicContact CD1-SD 3.97Å; L182-M186 HydrophobicContact CG-CG 4.27Å; L182-M186 VanDerWaalsContact O-CG 3.3Å; L182-M186 WeakPolarHBondContact O-CG 3.46Å; L182-M186 PolarHBondContact O-N 2.89Å
183	R	93.2	Very high	85.4	Confident	174 Å²	174	81.9 Å²	81.9	66%	0.657	40%	0.402	S	S	*	.	H	α-helix	trans	-58.8	-39.2	179.7	-175.8	-178.7	-63	141.3	3.1	112.6	S179 S180 H181	S179-R183 WeakPolarHBondContact O-CB 3.45Å; S179-R183 PolarHBondContact O-N 3.48Å; S180-R183 PolarHBondContact O-N 2.75Å; H181-R183 PolarHBondContact O-N 3.1Å
184	Q	92.9	Very high	83.1	Confident	131 Å²	131	86.1 Å²	86.1	61%	0.612	42%	0.423	S	S	*	.	H	α-helix	trans	-65.7	-45.2	174.8	-177.8	178.2	10.4	0	0	110.9	S180 H181 L182 M186 K187	S180-Q184 PolarHBondContact O-N 3Å; H181-Q184 PolarHBondContact O-N 3.34Å; L182-Q184 VanDerWaalsContact C-N 3.28Å; L182-Q184 PolarHBondContact O-N 3.06Å; Q184-M186 VanDerWaalsContact C-N 3.35Å; Q184-M186 PolarHBondContact O-N 2.83Å; Q184-K187 VanDerWaalsContact O-CB 3.3Å; Q184-K187 WeakPolarHBondContact O-CB 3.35Å; Q184-K187 PolarHBondContact O-N 3.42Å; Q184-K187 VanDerWaalsContact O-N 3.11Å
185	H	92.7	Very high	81	Confident	25 Å²	25	88.6 Å²	88.6	12%	0.116	43%	0.429	C	S	.	.	H	α-helix	trans	-61.4	-40	177.4	171.7	62.2	0	0	0	112.7	C172 F176 H181 L182 K187 V188 H189	C172-H185 PolarHBondContact SG-NE2 3.35Å; F176-H185 HydrophobicContact CE1-CB 4.08Å; F176-H185 HydrophobicContact CE2-CB 3.98Å; F176-H185 AromaticContact CE2-CD2 3.44Å; F176-H185 VanDerWaalsContact CE2-CD2 3.44Å; F176-H185 WeakPolarHBondContact CE2-CD2 3.49Å; F176-H185 AromaticContact CE2-CG 3.78Å; F176-H185 HydrophobicContact CZ-CB 3.49Å; F176-H185 VanDerWaalsContact CZ-CB 3.49Å; F176-H185 AromaticContact CZ-CD2 3.47Å; F176-H185 VanDerWaalsContact CZ-CD2 3.47Å; F176-H185 WeakPolarHBondContact CZ-CD2 3.5Å; F176-H185 AromaticContact CZ-CG 3.33Å; F176-H185 AromaticContact CZ-ND1 3.98Å; H181-H185 WeakPolarHBondContact O-CB 3.2Å; H181-H185 PolarHBondContact O-N 3.38Å; L182-H185 CarbonylContact O-C 3.53Å; L182-H185 WeakPolarHBondContact O-CB 3.46Å; L182-H185 PolarHBondContact O-N 2.79Å; L182-H185 VanDerWaalsContact O-N 3.08Å; H185-K187 PolarHBondContact O-N 3.27Å; H185-V188 VanDerWaalsContact O-CB 3.27Å; H185-V188 WeakPolarHBondContact O-CB 3.45Å; H185-V188 WeakPolarHBondContact O-CG2 3.42Å; H185-V188 PolarHBondContact O-N 3.27Å; H185-H189 AromaticContact CE1-NE2 3.55Å; H185-H189 AromaticContact NE2-CD2 3.92Å; H185-H189 AromaticContact NE2-NE2 3.25Å; H185-H189 PolarHBondContact NE2-NE2 3.43Å
186	M	90.4	Very high	78.6	Confident	41 Å²	41	96 Å²	96	20%	0.202	45%	0.454	C	S	.	.	H	α-helix	trans	-60	-16.7	175.4	-66.2	-55.1	-65.7	0	0	113.6	C169 E171 L182 Q184 V188	C169-M186 HydrophobicContact CB-SD 4.39Å; E171-M186 HydrophobicContact CG-CE 4.06Å; E171-M186 WeakPolarHBondContact OE1-CE 3.36Å; L182-M186 HydrophobicContact CD1-CG 3.99Å; L182-M186 HydrophobicContact CD1-SD 3.97Å; L182-M186 HydrophobicContact CG-CG 4.27Å; L182-M186 VanDerWaalsContact O-CG 3.3Å; L182-M186 WeakPolarHBondContact O-CG 3.46Å; L182-M186 PolarHBondContact O-N 2.89Å; Q184-M186 VanDerWaalsContact C-N 3.35Å; Q184-M186 PolarHBondContact O-N 2.83Å; M186-V188 VanDerWaalsContact C-N 3.34Å
187	K	91	Very high	76.2	Confident	123 Å²	123	100.1 Å²	100.1	54%	0.535	48%	0.483	S	S	.	.	H	α-helix	trans	-71.3	-31.3	172.1	-60.7	-178.6	178.9	-177.2	0	112	Q184 H185 H189 K190 E191	Q184-K187 VanDerWaalsContact O-CB 3.3Å; Q184-K187 WeakPolarHBondContact O-CB 3.35Å; Q184-K187 PolarHBondContact O-N 3.42Å; Q184-K187 VanDerWaalsContact O-N 3.11Å; H185-K187 PolarHBondContact O-N 3.27Å; K187-H189 VanDerWaalsContact C-N 3.33Å; K187-H189 PolarHBondContact O-N 2.86Å; K187-K190 PolarHBondContact O-N 2.99Å; K187-E191 VanDerWaalsContact O-CG 3.32Å; K187-E191 WeakPolarHBondContact O-CG 2.86Å; K187-E191 PolarHBondContact O-N 3.35Å; K187-E191 VanDerWaalsContact O-N 3.08Å
188	V	87.9	Confident	73.8	Confident	77 Å²	77	110 Å²	110	47%	0.467	52%	0.516	S	S	.	.	H	α-helix	trans	-60.8	-45.3	179.5	-178.6	0	0	0	0	110.1	H185 M186 K190 E191 E192	H185-V188 VanDerWaalsContact O-CB 3.27Å; H185-V188 WeakPolarHBondContact O-CB 3.45Å; H185-V188 WeakPolarHBondContact O-CG2 3.42Å; H185-V188 PolarHBondContact O-N 3.27Å; M186-V188 VanDerWaalsContact C-N 3.34Å; V188-K190 VanDerWaalsContact C-N 3.33Å; V188-K190 PolarHBondContact O-N 3.26Å; V188-E191 CarbonylContact O-C 3.24Å; V188-E191 WeakPolarHBondContact O-CA 3.4Å; V188-E191 PolarHBondContact O-N 3.22Å; V188-E192 PolarHBondContact O-N 3.18Å
189	H	83.9	Confident	71.4	Confident	31 Å²	31	111.4 Å²	111.4	14%	0.144	54%	0.542	C	S	.	.	H	α-helix	trans	-66.4	-33.3	177.1	-65.1	-57.6	0	0	0	113.9	E171 C172 H185 K187 E191 E192	E171-H189 WeakPolarHBondContact OE2-CB 3.42Å; E171-H189 IonicContact OE2-CD2 3.77Å; E171-H189 IonicContact OE2-CG 3.78Å; E171-H189 IonicContact OE2-ND1 3.77Å; C172-H189 PolarHBondContact SG-NE2 3.18Å; C172-H189 VanDerWaalsContact SG-NE2 3.42Å; H185-H189 AromaticContact CE1-NE2 3.55Å; H185-H189 AromaticContact NE2-CD2 3.92Å; H185-H189 AromaticContact NE2-NE2 3.25Å; H185-H189 PolarHBondContact NE2-NE2 3.43Å; K187-H189 VanDerWaalsContact C-N 3.33Å; K187-H189 PolarHBondContact O-N 2.86Å; H189-E191 PolarHBondContact O-N 3.25Å; H189-E192 IonicContact ND1-OE2 3.67Å; H189-E192 PolarHBondContact O-N 3.28Å
190	K	74.9	Confident	68.9	Low	165 Å²	165	118.1 Å²	118.1	72%	0.717	56%	0.564	S	S	*	*	H	α-helix	trans	-67.6	-23	172.5	-68	-177.9	-179.7	-170.6	0	112.9	K187 V188	K187-K190 PolarHBondContact O-N 2.99Å; V188-K190 VanDerWaalsContact C-N 3.33Å; V188-K190 PolarHBondContact O-N 3.26Å
191	E	61.7	Low	66.3	Low	86 Å²	86	123.5 Å²	123.5	40%	0.402	59%	0.589	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.2	2.1	-179	-68.4	178.4	-158	0	0	113.6	K187 V188 H189 K193 R195	K187-E191 VanDerWaalsContact O-CG 3.32Å; K187-E191 WeakPolarHBondContact O-CG 2.86Å; K187-E191 PolarHBondContact O-N 3.35Å; K187-E191 VanDerWaalsContact O-N 3.08Å; V188-E191 CarbonylContact O-C 3.24Å; V188-E191 WeakPolarHBondContact O-CA 3.4Å; V188-E191 PolarHBondContact O-N 3.22Å; H189-E191 PolarHBondContact O-N 3.25Å; E191-K193 PolarHBondContact O-N 3.23Å; E191-R195 IonicContact OE2-CZ 3.13Å; E191-R195 IonicContact OE2-NE 3.29Å; E191-R195 PolarHBondContact OE2-NE 3.25Å; E191-R195 IonicContact OE2-NH2 2.66Å; E191-R195 PolarHBondContact OE2-NH2 3.14Å
192	E	54.7	Low	64	Low	145 Å²	145	126.5 Å²	126.5	68%	0.678	61%	0.606	S	S	*	*			trans	-80.1	6.1	170.4	-75.4	-177.7	163.7	0	0	113.4	V188 H189	V188-E192 PolarHBondContact O-N 3.18Å; H189-E192 IonicContact ND1-OE2 3.67Å; H189-E192 PolarHBondContact O-N 3.28Å
193	K	44	Very low	61.5	Low	176 Å²	176	135.8 Å²	135.8	77%	0.765	64%	0.639	S	S	*	*	S	Bend	trans	-66.8	131.1	149.9	-85.2	-175	176.4	-178.6	0	108	E191 R195	E191-K193 PolarHBondContact O-N 3.23Å; K193-R195 PolarHBondContact O-N 3.16Å
194	P	42.4	Very low	59.1	Low	124 Å²	124	133 Å²	133	81%	0.805	64%	0.641	S	S	*	*			trans	-60.7	105.3	-150.1	23.8	-33.5	0	0	0	112.2	K196	P194-K196 PolarHBondContact O-N 3.25Å
195	R	47.4	Very low	56.6	Low	179 Å²	179	135.5 Å²	135.5	68%	0.675	65%	0.65	S	S	*	*			trans	-65	110.6	159.3	-81.8	178.8	162.8	-146.9	-0.3	107	E191 K193 T197	E191-R195 IonicContact OE2-CZ 3.13Å; E191-R195 IonicContact OE2-NE 3.29Å; E191-R195 PolarHBondContact OE2-NE 3.25Å; E191-R195 IonicContact OE2-NH2 2.66Å; E191-R195 PolarHBondContact OE2-NH2 3.14Å; K193-R195 PolarHBondContact O-N 3.16Å; R195-T197 VanDerWaalsContact C-N 3.35Å; R195-T197 PolarHBondContact O-N 3.46Å
196	K	42.2	Very low	54.1	Low	209 Å²	209	139.7 Å²	139.7	91%	0.909	68%	0.677	S	S	*	*			trans	-56.1	99.6	167.5	-68.8	-177.1	180	-179.3	0	108	P194 R198	P194-K196 PolarHBondContact O-N 3.25Å; K196-R198 PolarHBondContact O-N 3.37Å
197	T	41.6	Very low	51.5	Low	130 Å²	130	146.4 Å²	146.4	80%	0.798	71%	0.708	S	S	*	*			trans	-72.8	110	173.4	43.9	0	0	0	0	107.6	R195 G199	R195-T197 VanDerWaalsContact C-N 3.35Å; R195-T197 PolarHBondContact O-N 3.46Å; T197-G199 PolarHBondContact O-N 3.19Å
198	R	41.7	Very low	49	Very low	241 Å²	241	147.8 Å²	147.8	91%	0.909	72%	0.72	S	S	*	*			trans	-65.7	105.1	169.3	-174.7	167.5	162.7	165.7	-5.7	107	K196 K200	K196-R198 PolarHBondContact O-N 3.37Å; R198-K200 PolarHBondContact O-N 3.2Å
199	G	41.8	Very low	46.6	Very low	71 Å²	71	149.2 Å²	149.2	73%	0.732	73%	0.731	S	S	*	*			trans	-51.9	119.1	-177	0	0	0	0	0	111.7	T197	T197-G199 PolarHBondContact O-N 3.19Å
200	K	40.8	Very low	44.4	Very low	193 Å²	193	152.6 Å²	152.6	84%	0.839	76%	0.758	S	S	*	*			trans	-103	106.1	159.2	-73.5	-175.4	178.4	-179.2	0	106.3	R198 I202	R198-K200 PolarHBondContact O-N 3.2Å; K200-I202 PolarHBondContact O-N 3.38Å
201	N	37.8	Very low	42.3	Very low	168 Å²	168	156.5 Å²	156.5	90%	0.898	77%	0.769	S	S	*	*			trans	-68.9	96.6	177.6	-152	-2.5	0	0	0	107.9
202	I	45.8	Very low	41.1	Very low	137 Å²	137	161.9 Å²	161.9	70%	0.703	79%	0.791	S	S	*	*			trans	-92.9	104.3	171.3	-60.2	175.4	0	0	0	106.3	K200 V204	K200-I202 PolarHBondContact O-N 3.38Å; I202-V204 WeakPolarHBondContact O-CG2 3.47Å; I202-V204 PolarHBondContact O-N 3.01Å
203	R	42.9	Very low	40.2	Very low	225 Å²	225	159.7 Å²	159.7	85%	0.849	80%	0.798	S	S	*	*			trans	-68.1	94.4	171.6	-170.2	178.1	-167.2	-173.3	4.3	108.3	K205	R203-K205 PolarHBondContact O-N 3.46Å
204	V	41.6	Very low	39.8	Very low	117 Å²	117	155.1 Å²	155.1	71%	0.709	80%	0.8	S	S	*	*			trans	-78	111.1	173.4	-144.1	0	0	0	0	107.6	I202 T206	I202-V204 WeakPolarHBondContact O-CG2 3.47Å; I202-V204 PolarHBondContact O-N 3.01Å; V204-T206 PolarHBondContact O-N 2.85Å
205	K	41.4	Very low	39.5	Very low	183 Å²	183	156 Å²	156	80%	0.796	80%	0.803	S	S	*	*			trans	-70.1	106.7	166.1	-78.8	-179.3	176.9	177.3	0	107.2	R203 H207	R203-K205 PolarHBondContact O-N 3.46Å; K205-H207 PolarHBondContact O-N 3.37Å
206	T	39.7	Very low	38.9	Very low	112 Å²	112	151 Å²	151	69%	0.687	81%	0.808	S	S	*	*			trans	-76.6	114.5	173.6	40.1	0	0	0	0	109.6	V204	V204-T206 PolarHBondContact O-N 2.85Å
207	H	36.8	Very low	38.5	Very low	182 Å²	182	152.4 Å²	152.4	84%	0.843	81%	0.807	S	S	*	*			trans	-88.3	110.3	156.5	-89.4	-84.9	0	0	0	107.4	K205	K205-H207 PolarHBondContact O-N 3.37Å
208	L	37	Very low	38.3	Very low	152 Å²	152	155.9 Å²	155.9	80%	0.796	81%	0.811	S	S	*	*			trans	-76.9	130.5	173.3	-104.3	80.1	0	0	0	110.3
209	P	38.3	Very low	37.9	Very low	107 Å²	107	149.9 Å²	149.9	70%	0.695	81%	0.807	S	S	*	*			trans	-82.7	123.4	161	-6.7	25	0	0	0	110.4	W211	P209-W211 PolarHBondContact O-N 3.46Å
210	S	37.5	Very low	37.7	Very low	103 Å²	103	153.3 Å²	153.3	72%	0.72	81%	0.813	S	S	*	*			trans	-79.5	103.6	177.2	161.2	0	0	0	0	111.2
211	W	31.8	Very low	37.5	Very low	246 Å²	246	149.1 Å²	149.1	93%	0.932	81%	0.814	S	S	*	*			trans	-113.7	105	166.5	-75.7	23.7	0	0	0	108.8	P209	P209-W211 PolarHBondContact O-N 3.46Å
212	K	36.6	Very low	37.2	Very low	200 Å²	200	145 Å²	145	87%	0.87	81%	0.811	S	S	*	*			trans	-89.6	115.2	171.4	-74	-167.2	177.4	-167.3	0	109.2
213	A	35.5	Very low	36.8	Very low	99 Å²	99	146.9 Å²	146.9	82%	0.818	82%	0.822	S	S	*	*			trans	-82	113	164.3	0	0	0	0	0	108.8
214	G	34.2	Very low	36.3	Very low	79 Å²	79	151.4 Å²	151.4	81%	0.814	84%	0.839	S	S	*	*			trans	-96.8	108.1	172.2	0	0	0	0	0	110.3
215	T	37.8	Very low	36.1	Very low	143 Å²	143	153.2 Å²	153.2	88%	0.877	85%	0.845	S	S	*	*			trans	-89.5	118.5	166.2	43.2	0	0	0	0	108.9
216	G	33.2	Very low	35.8	Very low	75 Å²	75	151.6 Å²	151.6	77%	0.773	85%	0.848	S	S	*	*			trans	-81	136	174.2	0	0	0	0	0	112.1
217	R	35.3	Very low	35.6	Very low	237 Å²	237	153.8 Å²	153.8	89%	0.894	86%	0.857	S	S	*	*			trans	-144.8	111.6	151.2	-82.2	-167.4	176.5	-176.5	-1.1	111
218	K	36.4	Very low	35.5	Very low	203 Å²	203	152.1 Å²	152.1	88%	0.883	86%	0.858	S	S	*	*			trans	55.3	115.8	139.7	-59.2	-171.7	177	-171.5	0	120.4
219	S	33.3	Very low	35.4	Very low	116 Å²	116	152.1 Å²	152.1	81%	0.811	86%	0.862	S	S	*	*			trans	-58.1	146.2	155.2	-50.1	0	0	0	0	113.2
220	V	38.4	Very low	35.2	Very low	143 Å²	143	155.1 Å²	155.1	87%	0.867	87%	0.873	S	S	*	*				-163.7	126.6	112.5	-104.8	0	0	0	0	112.7
221	A	36.2	Very low	35	Very low	105 Å²	105	158.9 Å²	158.9	87%	0.868	88%	0.884	S	S	*	*			trans	51.6	123.4	139.3	0	0	0	0	0	122.9
222	G	30.6	Very low	35.3	Very low	80 Å²	80	152.2 Å²	152.2	83%	0.825	88%	0.88	S	S	*	*			trans	-165.8	87.3	155.8	0	0	0	0	0	110.6
223	L	39	Very low	35.2	Very low	178 Å²	178	148.2 Å²	148.2	93%	0.932	88%	0.881	S	S	*	*			trans	-72.7	119.9	170.9	-96.8	132.7	0	0	0	109.8
224	R	32.2	Very low	35.2	Very low	320 Å²	320	152.6 Å²	152.6	100%	1.208	89%	0.887	S	S	*	*				-165.9	0	124.5	-115.8	-179.5	169.7	-143.8	-2.5	110.9

Retrieved 224 of 224 residues in 118.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).