A0A044T6E6_ONCVO Loading...

DUF7808 domain-containing protein

AlphaFold DB , UniProt , Accession A0A044T6E6, Species ONCVO (Onchocerca volvulus), Gene n/a, Length 185 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.5	Very low	39.9	Very low	240 Å²	240	171 Å²	171	100%	1.182	86%	0.86	S	S	*	*				0	115.7	0	-83.3	166	159.9	0	0	108
2	K	37.4	Very low	39.7	Very low	191 Å²	191	172.2 Å²	172.2	83%	0.83	86%	0.861	S	S	*	*	P	Polyproline II helix	trans	-95.5	119.9	-168.7	-163.8	171.8	-174.9	175.3	0	107.8	D4	K2-D4 PolarHBondContact O-N 3.2Å
3	W	37.5	Very low	39.8	Very low	246 Å²	246	169 Å²	169	93%	0.932	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-70.6	121.9	176	-78.7	78.4	0	0	0	109.5
4	D	43.7	Very low	39.8	Very low	157 Å²	157	163.1 Å²	163.1	84%	0.84	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-83.9	147.9	175.5	-94.7	-38.6	0	0	0	112.7	K2	K2-D4 PolarHBondContact O-N 3.2Å
5	R	43.8	Very low	40.1	Very low	227 Å²	227	165.5 Å²	165.5	86%	0.857	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-85.4	147.8	-152.2	-134.7	176.1	-76.6	-177.8	-5.8	112.2
6	R	36.5	Very low	40.3	Very low	239 Å²	239	163.5 Å²	163.5	90%	0.902	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-47.5	139.9	160.3	-76.3	177.3	-178.6	-174.9	-0.9	112.2
7	S	42.6	Very low	40.4	Very low	114 Å²	114	158.1 Å²	158.1	80%	0.797	83%	0.826	S	S	*	*			trans	-146	100.1	143.1	-161.2	0	0	0	0	105.9
8	S	44.5	Very low	40.6	Very low	104 Å²	104	161.6 Å²	161.6	73%	0.727	83%	0.828	S	S	*	*				61.6	95.2	86.1	-66.7	0	0	0	0	113.4
9	A	38.2	Very low	41	Very low	92 Å²	92	161.3 Å²	161.3	76%	0.76	82%	0.823	S	S	*	*			trans	11	124	144.8	0	0	0	0	0	119.2
10	S	39.3	Very low	41.9	Very low	113 Å²	113	160.2 Å²	160.2	79%	0.79	82%	0.818	S	S	*	*			trans	-133.8	95.1	145.6	-60.2	0	0	0	0	108	E12	S10-E12 VanDerWaalsContact C-N 3.35Å; S10-E12 PolarHBondContact O-N 2.95Å
11	N	34.3	Very low	43.2	Very low	158 Å²	158	158.4 Å²	158.4	85%	0.845	81%	0.811	S	S	*	*			trans	-76.6	87.3	166.1	-81.7	-27.8	0	0	0	107.9	V13	N11-V13 PolarHBondContact O-N 2.71Å
12	E	37.1	Very low	44.6	Very low	185 Å²	185	149.6 Å²	149.6	86%	0.864	77%	0.768	S	S	*	*			trans	-77.6	99.7	164.8	-79.3	-173.7	135.5	0	0	108.9	S10 S14	S10-E12 VanDerWaalsContact C-N 3.35Å; S10-E12 PolarHBondContact O-N 2.95Å; E12-S14 VanDerWaalsContact C-N 3.31Å; E12-S14 PolarHBondContact O-N 3.27Å
13	V	40.5	Very low	46.6	Very low	131 Å²	131	142.7 Å²	142.7	79%	0.794	74%	0.744	S	S	*	*			trans	-64.6	94.4	164.6	174.6	0	0	0	0	107.3	N11 K15	N11-V13 PolarHBondContact O-N 2.71Å; V13-K15 PolarHBondContact O-N 3.13Å
14	S	40.5	Very low	48.7	Very low	87 Å²	87	135.7 Å²	135.7	61%	0.608	73%	0.73	S	S	*	*			trans	-64	102.8	175.4	-174.2	0	0	0	0	109.8	E12 N16	E12-S14 VanDerWaalsContact C-N 3.31Å; E12-S14 PolarHBondContact O-N 3.27Å; S14-N16 PolarHBondContact O-N 3.38Å
15	K	44.4	Very low	50.6	Low	198 Å²	198	132.2 Å²	132.2	86%	0.861	72%	0.718	S	S	*	*			trans	-70.6	66.3	162.2	-73.1	179.5	174.7	175.3	0	109.4	V13	V13-K15 PolarHBondContact O-N 3.13Å
16	N	42.9	Very low	52.4	Low	134 Å²	134	126.7 Å²	126.7	72%	0.717	70%	0.702	S	S	*	*	S	Bend	trans	-141.8	122.3	168.1	-83.5	-38.7	0	0	0	108.1	S14 Y18	S14-N16 PolarHBondContact O-N 3.38Å; N16-Y18 PolarHBondContact O-N 2.93Å
17	G	42.2	Very low	54.5	Low	71 Å²	71	121.8 Å²	121.8	73%	0.732	68%	0.684	S	S	*	*			trans	-44.2	134.5	-166.7	0	0	0	0	0	112.9	Q19	G17-Q19 PolarHBondContact O-N 3.31Å
18	Y	43.6	Very low	56.5	Low	221 Å²	221	125.7 Å²	125.7	87%	0.867	68%	0.681	S	S	*	*			trans	-59.7	82.3	166.1	-63.3	-88.5	0	0	0	108.5	N16 L20	N16-Y18 PolarHBondContact O-N 2.93Å; Y18-L20 PolarHBondContact O-N 2.72Å
19	Q	49.4	Very low	58.4	Low	156 Å²	156	125.6 Å²	125.6	73%	0.729	67%	0.672	S	S	*	*			trans	-64.5	89.5	152.8	-77.9	-72.8	-23	0	0	104.3	G17 N21	G17-Q19 PolarHBondContact O-N 3.31Å; Q19-N21 PolarHBondContact O-N 2.53Å; Q19-N21 PolarHBondContact O-ND2 3.25Å
20	L	58.7	Low	60.5	Low	139 Å²	139	124.1 Å²	124.1	73%	0.728	66%	0.655	S	S	*	*			trans	-60.2	82	169.2	-92.8	151.6	0	0	0	107.3	Y18 L22	Y18-L20 PolarHBondContact O-N 2.72Å; L20-L22 HydrophobicContact CB-CD1 4.09Å; L20-L22 WeakPolarHBondContact O-CD1 3.34Å; L20-L22 PolarHBondContact O-N 3.49Å
21	N	68.9	Low	62.7	Low	124 Å²	124	125 Å²	125	66%	0.663	65%	0.646	S	S	*	*			trans	-75.6	80.4	173.6	-76.2	-54.3	0	0	0	107.4	Q19 S23	Q19-N21 PolarHBondContact O-N 2.53Å; Q19-N21 PolarHBondContact O-ND2 3.25Å; N21-S23 PolarHBondContact O-N 3.23Å
22	L	70.4	Confident	65.3	Low	54 Å²	54	122.9 Å²	122.9	28%	0.283	63%	0.634	S	S	.	*			trans	-56.8	131.2	170.2	-83.7	78.3	0	0	0	108.6	L20 Q26 R27	L20-L22 HydrophobicContact CB-CD1 4.09Å; L20-L22 WeakPolarHBondContact O-CD1 3.34Å; L20-L22 PolarHBondContact O-N 3.49Å; L22-Q26 HydrophobicContact CB-CB 4.02Å; L22-Q26 HydrophobicContact CD2-CB 4.04Å; L22-Q26 HydrophobicContact CG-CB 4.17Å; L22-R27 HydrophobicContact CB-CG 3.85Å; L22-R27 PolarHBondContact O-NE 3.09Å; L22-R27 VanDerWaalsContact O-NE 3.16Å
23	S	79.9	Confident	67.6	Low	47 Å²	47	119.9 Å²	119.9	33%	0.329	62%	0.62	S	S	.	*			trans	-58.9	157.8	174.2	71.8	0	0	0	0	110.6	N21 S25 Q26 R27	N21-S23 PolarHBondContact O-N 3.23Å; S23-S25 PolarHBondContact O-N 3.36Å; S23-S25 VanDerWaalsContact O-N 3.14Å; S23-S25 PolarHBondContact OG-OG 3.37Å; S23-Q26 PolarHBondContact O-N 2.78Å; S23-Q26 WeakPolarHBondContact OG-CG 3.36Å; S23-Q26 PolarHBondContact OG-N 3.25Å; S23-R27 PolarHBondContact O-N 3.26Å
24	P	81.1	Confident	70	Confident	99 Å²	99	119.5 Å²	119.5	64%	0.643	61%	0.611	S	S	*	*	H	α-helix	trans	-54.9	-33.5	176.9	-27	35.1	0	0	0	113.5	R28	P24-R28 VanDerWaalsContact O-CG 3.29Å; P24-R28 WeakPolarHBondContact O-CG 3.47Å; P24-R28 PolarHBondContact O-N 3.23Å
25	S	83.1	Confident	72.4	Confident	84 Å²	84	120.2 Å²	120.2	59%	0.587	61%	0.608	S	S	*	*	H	α-helix	trans	-69.2	-41.3	174.7	57.5	0	0	0	0	112.1	S23 R28 L29	S23-S25 PolarHBondContact O-N 3.36Å; S23-S25 VanDerWaalsContact O-N 3.14Å; S23-S25 PolarHBondContact OG-OG 3.37Å; S25-R28 PolarHBondContact O-N 3.46Å; S25-L29 WeakPolarHBondContact O-CB 3.47Å; S25-L29 PolarHBondContact O-N 2.7Å
26	Q	81.8	Confident	74.6	Confident	110 Å²	110	117.6 Å²	117.6	51%	0.514	60%	0.596	S	S	.	*	H	α-helix	trans	-67.6	-38.6	175.3	-72.1	-158.3	-26	0	0	112.4	L22 S23 L29 C30	L22-Q26 HydrophobicContact CB-CB 4.02Å; L22-Q26 HydrophobicContact CD2-CB 4.04Å; L22-Q26 HydrophobicContact CG-CB 4.17Å; S23-Q26 PolarHBondContact O-N 2.78Å; S23-Q26 WeakPolarHBondContact OG-CG 3.36Å; S23-Q26 PolarHBondContact OG-N 3.25Å; Q26-L29 PolarHBondContact O-N 3.42Å; Q26-C30 WeakPolarHBondContact O-CB 3.38Å; Q26-C30 PolarHBondContact O-N 3.07Å; Q26-C30 PolarHBondContact O-SG 2.84Å; Q26-C30 VanDerWaalsContact O-SG 3.33Å
27	R	81.5	Confident	76.9	Confident	137 Å²	137	114.1 Å²	114.1	52%	0.517	58%	0.58	S	S	.	*	H	α-helix	trans	-60.6	-46	172	-68	-177.2	-172.8	-138.8	0.3	111.4	L22 S23 L29 C30 H31	L22-R27 HydrophobicContact CB-CG 3.85Å; L22-R27 PolarHBondContact O-NE 3.09Å; L22-R27 VanDerWaalsContact O-NE 3.16Å; S23-R27 PolarHBondContact O-N 3.26Å; R27-L29 PolarHBondContact O-N 3.31Å; R27-C30 PolarHBondContact O-N 3.41Å; R27-H31 PolarHBondContact O-CD2 3.41Å; R27-H31 PolarHBondContact O-N 3.3Å
28	R	83.4	Confident	79.2	Confident	196 Å²	196	113.9 Å²	113.9	74%	0.74	57%	0.565	S	S	*	*	H	α-helix	trans	-60.5	-43.2	176.4	-75.4	176.4	-168.7	-122.7	4.2	112	P24 S25 H31 L32	P24-R28 VanDerWaalsContact O-CG 3.29Å; P24-R28 WeakPolarHBondContact O-CG 3.47Å; P24-R28 PolarHBondContact O-N 3.23Å; S25-R28 PolarHBondContact O-N 3.46Å; R28-H31 PolarHBondContact O-N 2.87Å; R28-L32 WeakPolarHBondContact O-CB 3.42Å; R28-L32 PolarHBondContact O-N 3.05Å
29	L	84.8	Confident	81.4	Confident	102 Å²	102	108.2 Å²	108.2	53%	0.534	55%	0.548	S	S	.	.	H	α-helix	trans	-65.5	-42.9	177.8	-172	64.6	0	0	0	111.7	S25 Q26 R27 L32 H33	S25-L29 WeakPolarHBondContact O-CB 3.47Å; S25-L29 PolarHBondContact O-N 2.7Å; Q26-L29 PolarHBondContact O-N 3.42Å; R27-L29 PolarHBondContact O-N 3.31Å; L29-L32 PolarHBondContact O-N 2.95Å; L29-H33 WeakPolarHBondContact O-CB 3.46Å; L29-H33 PolarHBondContact O-N 3.09Å
30	C	83.4	Confident	83.3	Confident	61 Å²	61	105.1 Å²	105.1	41%	0.412	54%	0.536	S	S	.	.	H	α-helix	trans	-59.6	-47.1	173	-74.9	0	0	0	0	111.5	Q26 R27 L32 H33 M34	Q26-C30 WeakPolarHBondContact O-CB 3.38Å; Q26-C30 PolarHBondContact O-N 3.07Å; Q26-C30 PolarHBondContact O-SG 2.84Å; Q26-C30 VanDerWaalsContact O-SG 3.33Å; R27-C30 PolarHBondContact O-N 3.41Å; C30-L32 VanDerWaalsContact C-N 3.33Å; C30-L32 PolarHBondContact O-N 3.02Å; C30-H33 PolarHBondContact O-N 3.05Å; C30-M34 WeakPolarHBondContact O-CB 3.35Å; C30-M34 WeakPolarHBondContact O-CG 3.34Å; C30-M34 PolarHBondContact O-N 3.02Å
31	H	84.6	Confident	84.5	Confident	130 Å²	130	103 Å²	103	60%	0.602	53%	0.525	S	S	*	.	H	α-helix	trans	-60.9	-41.3	176.7	-79.7	-66.3	0	0	0	112.2	R27 R28 M34 L35	R27-H31 PolarHBondContact O-CD2 3.41Å; R27-H31 PolarHBondContact O-N 3.3Å; R28-H31 PolarHBondContact O-N 2.87Å; H31-M34 PolarHBondContact O-N 3.15Å; H31-L35 WeakPolarHBondContact O-CB 3.42Å; H31-L35 VanDerWaalsContact O-CG 3.3Å; H31-L35 WeakPolarHBondContact O-CG 3.2Å; H31-L35 PolarHBondContact O-N 3.22Å
32	L	88.1	Confident	85.2	Confident	114 Å²	114	103.6 Å²	103.6	60%	0.597	52%	0.522	S	S	*	.	H	α-helix	trans	-65.9	-42.3	177.9	-170.9	64.1	0	0	0	112	R28 L29 C30 L35 F36	R28-L32 WeakPolarHBondContact O-CB 3.42Å; R28-L32 PolarHBondContact O-N 3.05Å; L29-L32 PolarHBondContact O-N 2.95Å; C30-L32 VanDerWaalsContact C-N 3.33Å; C30-L32 PolarHBondContact O-N 3.02Å; L32-L35 PolarHBondContact O-N 3.41Å; L32-F36 WeakPolarHBondContact O-CB 3.33Å; L32-F36 PolarHBondContact O-N 2.88Å
33	H	86.9	Confident	85.7	Confident	123 Å²	123	104.1 Å²	104.1	57%	0.569	53%	0.53	S	S	*	.	H	α-helix	trans	-63	-43.8	173.4	-95.2	-119.8	0	0	0	112.2	L29 C30 F36 T37	L29-H33 WeakPolarHBondContact O-CB 3.46Å; L29-H33 PolarHBondContact O-N 3.09Å; C30-H33 PolarHBondContact O-N 3.05Å; H33-F36 PolarHBondContact O-N 3.06Å; H33-T37 WeakPolarHBondContact O-CG2 3.38Å; H33-T37 PolarHBondContact O-N 3.5Å; H33-T37 PolarHBondContact O-OG1 2.72Å
34	M	89.4	Confident	85.5	Confident	123 Å²	123	106.8 Å²	106.8	61%	0.606	54%	0.539	S	S	*	.	H	α-helix	trans	-62.2	-44.3	177	-69.8	-65.7	-71.7	0	0	110.9	C30 H31 T37 T38	C30-M34 WeakPolarHBondContact O-CB 3.35Å; C30-M34 WeakPolarHBondContact O-CG 3.34Å; C30-M34 PolarHBondContact O-N 3.02Å; H31-M34 PolarHBondContact O-N 3.15Å; M34-T37 PolarHBondContact O-N 2.94Å; M34-T37 PolarHBondContact O-OG1 3Å; M34-T38 VanDerWaalsContact O-CG2 3.28Å; M34-T38 WeakPolarHBondContact O-CG2 3.37Å; M34-T38 PolarHBondContact O-N 3.03Å; M34-T38 PolarHBondContact O-OG1 2.57Å
35	L	92	Very high	85.1	Confident	102 Å²	102	106.7 Å²	106.7	53%	0.534	53%	0.533	S	S	.	.	H	α-helix	trans	-62	-47.2	174.9	-73.5	169.6	0	0	0	111.8	H31 L32 T37 T38 I39	H31-L35 WeakPolarHBondContact O-CB 3.42Å; H31-L35 VanDerWaalsContact O-CG 3.3Å; H31-L35 WeakPolarHBondContact O-CG 3.2Å; H31-L35 PolarHBondContact O-N 3.22Å; L32-L35 PolarHBondContact O-N 3.41Å; L35-T37 PolarHBondContact O-N 3.02Å; L35-T38 WeakPolarHBondContact CA-OG1 3.36Å; L35-T38 PolarHBondContact O-N 2.72Å; L35-T38 PolarHBondContact O-OG1 2.04Å; L35-I39 VanDerWaalsContact O-CG1 3.29Å; L35-I39 WeakPolarHBondContact O-CG1 3.39Å; L35-I39 PolarHBondContact O-N 3.4Å
36	F	91.2	Very high	84.4	Confident	142 Å²	142	108.2 Å²	108.2	62%	0.623	53%	0.533	S	S	*	.	H	α-helix	trans	-61.1	-44	-179.7	-169.6	-98.6	0	0	0	112.4	L32 H33 I39 L40	L32-F36 WeakPolarHBondContact O-CB 3.33Å; L32-F36 PolarHBondContact O-N 2.88Å; H33-F36 PolarHBondContact O-N 3.06Å; F36-I39 PolarHBondContact O-N 3.02Å; F36-L40 HydrophobicContact CE1-CD1 4.48Å; F36-L40 WeakPolarHBondContact O-CB 3.47Å; F36-L40 PolarHBondContact O-N 3Å
37	T	90.7	Very high	83.7	Confident	62 Å²	62	107.1 Å²	107.1	38%	0.38	54%	0.543	S	S	.	.	H	α-helix	trans	-63.9	-41.4	175.7	53.7	0	0	0	0	112.1	H33 M34 L35 L40 I41	H33-T37 WeakPolarHBondContact O-CG2 3.38Å; H33-T37 PolarHBondContact O-N 3.5Å; H33-T37 PolarHBondContact O-OG1 2.72Å; M34-T37 PolarHBondContact O-N 2.94Å; M34-T37 PolarHBondContact O-OG1 3Å; L35-T37 PolarHBondContact O-N 3.02Å; T37-L40 PolarHBondContact O-N 3.04Å; T37-I41 VanDerWaalsContact O-CG1 3.26Å; T37-I41 WeakPolarHBondContact O-CG1 3.29Å; T37-I41 PolarHBondContact O-N 2.84Å
38	T	89.4	Confident	82.8	Confident	66 Å²	66	104 Å²	104	41%	0.405	54%	0.542	S	S	.	.	H	α-helix	trans	-63.4	-41.7	175.3	58.1	0	0	0	0	112.6	M34 L35 I41 F42	M34-T38 VanDerWaalsContact O-CG2 3.28Å; M34-T38 WeakPolarHBondContact O-CG2 3.37Å; M34-T38 PolarHBondContact O-N 3.03Å; M34-T38 PolarHBondContact O-OG1 2.57Å; L35-T38 WeakPolarHBondContact CA-OG1 3.36Å; L35-T38 PolarHBondContact O-N 2.72Å; L35-T38 PolarHBondContact O-OG1 2.04Å; T38-I41 PolarHBondContact O-N 3.16Å; T38-F42 WeakPolarHBondContact O-CB 3.35Å; T38-F42 PolarHBondContact O-N 2.75Å
39	I	90.7	Very high	82.1	Confident	102 Å²	102	100.3 Å²	100.3	52%	0.523	53%	0.534	S	S	.	.	H	α-helix	trans	-64.1	-43	176.6	-67.8	165.7	0	0	0	110.5	L35 F36 F42 S43	L35-I39 VanDerWaalsContact O-CG1 3.29Å; L35-I39 WeakPolarHBondContact O-CG1 3.39Å; L35-I39 PolarHBondContact O-N 3.4Å; F36-I39 PolarHBondContact O-N 3.02Å; I39-F42 PolarHBondContact O-N 2.62Å; I39-S43 WeakPolarHBondContact O-CB 3.44Å; I39-S43 PolarHBondContact O-N 2.67Å; I39-S43 PolarHBondContact O-OG 3.17Å
40	L	88.4	Confident	82	Confident	90 Å²	90	96.4 Å²	96.4	47%	0.471	52%	0.518	S	S	.	.	H	α-helix	trans	-61.5	-46.6	177.9	-169	102.5	0	0	0	111.1	F36 T37 S43 I44	F36-L40 HydrophobicContact CE1-CD1 4.48Å; F36-L40 WeakPolarHBondContact O-CB 3.47Å; F36-L40 PolarHBondContact O-N 3Å; T37-L40 PolarHBondContact O-N 3.04Å; L40-S43 PolarHBondContact O-N 2.86Å; L40-I44 HydrophobicContact CD2-CD1 4.09Å; L40-I44 HydrophobicContact CG-CD1 4.2Å; L40-I44 VanDerWaalsContact O-CG1 3.3Å; L40-I44 WeakPolarHBondContact O-CG1 3.28Å; L40-I44 PolarHBondContact O-N 2.74Å
41	I	85.6	Confident	82.4	Confident	95 Å²	95	96 Å²	96	49%	0.487	51%	0.51	S	S	.	.	H	α-helix	trans	-61.8	-46.7	177.5	-67.5	165.2	0	0	0	110.7	T37 T38 S43 I44 L45	T37-I41 VanDerWaalsContact O-CG1 3.26Å; T37-I41 WeakPolarHBondContact O-CG1 3.29Å; T37-I41 PolarHBondContact O-N 2.84Å; T38-I41 PolarHBondContact O-N 3.16Å; I41-S43 VanDerWaalsContact C-N 3.29Å; I41-S43 PolarHBondContact O-N 2.93Å; I41-I44 PolarHBondContact O-N 2.85Å; I41-L45 HydrophobicContact CG2-CD1 4.04Å; I41-L45 HydrophobicContact CG2-CG 4.49Å; I41-L45 WeakPolarHBondContact O-CG 3.42Å; I41-L45 PolarHBondContact O-N 3.49Å
42	F	82.9	Confident	82.8	Confident	136 Å²	136	92.7 Å²	92.7	60%	0.596	50%	0.5	S	S	*	.	H	α-helix	trans	-59.8	-40.7	176.7	-102.9	-80.8	0	0	0	112.3	T38 I39 L45 I46	T38-F42 WeakPolarHBondContact O-CB 3.35Å; T38-F42 PolarHBondContact O-N 2.75Å; I39-F42 PolarHBondContact O-N 2.62Å; F42-L45 PolarHBondContact O-N 3.11Å; F42-I46 WeakPolarHBondContact O-CD1 3.41Å; F42-I46 VanDerWaalsContact O-CG1 3.29Å; F42-I46 WeakPolarHBondContact O-CG1 3.12Å; F42-I46 PolarHBondContact O-N 2.94Å
43	S	80	Confident	83.2	Confident	65 Å²	65	88.1 Å²	88.1	46%	0.455	48%	0.475	S	S	.	.	H	α-helix	trans	-65.5	-40	179.5	-56	0	0	0	0	111.6	I39 L40 I41 A47	I39-S43 WeakPolarHBondContact O-CB 3.44Å; I39-S43 PolarHBondContact O-N 2.67Å; I39-S43 PolarHBondContact O-OG 3.17Å; L40-S43 PolarHBondContact O-N 2.86Å; I41-S43 VanDerWaalsContact C-N 3.29Å; I41-S43 PolarHBondContact O-N 2.93Å; S43-A47 WeakPolarHBondContact O-CB 3.35Å; S43-A47 PolarHBondContact O-N 2.91Å; S43-A47 VanDerWaalsContact O-N 3.13Å
44	I	76.8	Confident	83.6	Confident	104 Å²	104	83.3 Å²	83.3	53%	0.533	45%	0.453	S	S	.	.	H	α-helix	trans	-65.6	-42.4	174.7	-66.6	164.3	0	0	0	110.9	L40 I41 A47 S48	L40-I44 HydrophobicContact CD2-CD1 4.09Å; L40-I44 HydrophobicContact CG-CD1 4.2Å; L40-I44 VanDerWaalsContact O-CG1 3.3Å; L40-I44 WeakPolarHBondContact O-CG1 3.28Å; L40-I44 PolarHBondContact O-N 2.74Å; I41-I44 PolarHBondContact O-N 2.85Å; I44-A47 PolarHBondContact O-N 2.62Å; I44-S48 PolarHBondContact O-N 3Å; I44-S48 VanDerWaalsContact O-N 3.13Å
45	L	73	Confident	83.9	Confident	97 Å²	97	77.6 Å²	77.6	51%	0.508	42%	0.424	S	S	.	.	H	α-helix	trans	-59.8	-48.7	178.3	-73.4	169.3	0	0	0	111.1	I41 F42 A47 S48	I41-L45 HydrophobicContact CG2-CD1 4.04Å; I41-L45 HydrophobicContact CG2-CG 4.49Å; I41-L45 WeakPolarHBondContact O-CG 3.42Å; I41-L45 PolarHBondContact O-N 3.49Å; F42-L45 PolarHBondContact O-N 3.11Å; L45-A47 VanDerWaalsContact C-N 3.31Å; L45-A47 PolarHBondContact O-N 3.41Å; L45-S48 PolarHBondContact O-N 2.83Å; L45-S48 VanDerWaalsContact O-N 3.11Å; L45-S48 PolarHBondContact O-OG 2.94Å
46	I	68.7	Low	84	Confident	115 Å²	115	74.3 Å²	74.3	59%	0.59	41%	0.406	S	S	*	.	H	α-helix	trans	-60.6	-40.1	178	-64.6	162.6	0	0	0	111.3	F42 S48	F42-I46 WeakPolarHBondContact O-CD1 3.41Å; F42-I46 VanDerWaalsContact O-CG1 3.29Å; F42-I46 WeakPolarHBondContact O-CG1 3.12Å; F42-I46 PolarHBondContact O-N 2.94Å; I46-S48 VanDerWaalsContact C-N 3.26Å; I46-S48 PolarHBondContact O-N 2.92Å
47	A	65.6	Low	84.2	Confident	88 Å²	88	67.7 Å²	67.7	73%	0.727	38%	0.377	S	S	*	.	H	α-helix	trans	-70	-20.8	179.4	0	0	0	0	0	113.8	S43 I44 L45	S43-A47 WeakPolarHBondContact O-CB 3.35Å; S43-A47 PolarHBondContact O-N 2.91Å; S43-A47 VanDerWaalsContact O-N 3.13Å; I44-A47 PolarHBondContact O-N 2.62Å; L45-A47 VanDerWaalsContact C-N 3.31Å; L45-A47 PolarHBondContact O-N 3.41Å
48	S	62.5	Low	84.5	Confident	71 Å²	71	65.7 Å²	65.7	50%	0.497	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-7.9	-175.2	74.4	0	0	0	0	114.7	I44 L45 I46 G50	I44-S48 PolarHBondContact O-N 3Å; I44-S48 VanDerWaalsContact O-N 3.13Å; L45-S48 PolarHBondContact O-N 2.83Å; L45-S48 VanDerWaalsContact O-N 3.11Å; L45-S48 PolarHBondContact O-OG 2.94Å; I46-S48 VanDerWaalsContact C-N 3.26Å; I46-S48 PolarHBondContact O-N 2.92Å; S48-G50 PolarHBondContact O-N 2.05Å
49	E	69	Low	84.8	Confident	119 Å²	119	62.6 Å²	62.6	56%	0.556	35%	0.345	S	S	*	.			trans	-75	63.6	-178	-63	-175.9	-162.7	0	0	112.2	H51	E49-H51 PolarHBondContact O-N 2.85Å
50	G	83.3	Confident	85	Confident	19 Å²	19	60.4 Å²	60.4	20%	0.196	34%	0.337	C	S	.	.			trans	-68.6	129.4	163	0	0	0	0	0	108.7	S48 P52 F161	S48-G50 PolarHBondContact O-N 2.05Å; G50-P52 WeakPolarHBondContact O-CD 3.16Å; G50-F161 CarbonylContact C-O 3.54Å; G50-F161 WeakPolarHBondContact CA-O 3.36Å
51	H	91.1	Very high	85.4	Confident	54 Å²	54	56.2 Å²	56.2	25%	0.25	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	106.2	-171	-57.2	-79.6	0	0	0	109.9	E49 F161 P164	E49-H51 PolarHBondContact O-N 2.85Å; H51-F161 PolarHBondContact N-O 3.21Å; H51-F161 PolarHBondContact O-N 2.98Å; H51-P164 WeakPolarHBondContact NE2-CD 3.35Å
52	P	93.7	Very high	85.8	Confident	60 Å²	60	59.8 Å²	59.8	39%	0.39	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	149.7	179.5	33.6	-34.2	0	0	0	110	G50 F54 C159	G50-P52 WeakPolarHBondContact O-CD 3.16Å; P52-F54 HydrophobicContact CB-CE2 4.01Å; P52-F54 HydrophobicContact CB-CZ 4.12Å; P52-F54 HydrophobicContact CG-CE2 4.31Å; P52-C159 CarbonylContact C-O 3.54Å; P52-C159 WeakPolarHBondContact CA-O 3.16Å
53	Q	95.6	Very high	86.3	Confident	17 Å²	17	57 Å²	57	8%	0.079	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	139	173.9	-71.5	-68.3	-65.7	0	0	108.3	D81 G158 C159 F161 F165	Q53-D81 PolarHBondContact OE1-OD1 2.56Å; Q53-G158 CarbonylContact O-C 3.57Å; Q53-G158 VanDerWaalsContact O-CA 3.27Å; Q53-G158 WeakPolarHBondContact O-CA 3.35Å; Q53-C159 PolarHBondContact N-O 3.42Å; Q53-C159 PolarHBondContact O-N 3.4Å; Q53-F161 HydrophobicContact CB-CD2 4.17Å; Q53-F161 HydrophobicContact CB-CE2 3.7Å; Q53-F161 HydrophobicContact CG-CD2 3.71Å; Q53-F161 HydrophobicContact CG-CE2 3.58Å; Q53-F165 VanDerWaalsContact CD-CB 3.44Å; Q53-F165 HydrophobicContact CG-CB 3.43Å; Q53-F165 VanDerWaalsContact CG-CB 3.43Å; Q53-F165 HydrophobicContact CG-CD1 4.24Å; Q53-F165 HydrophobicContact CG-CD2 4.1Å; Q53-F165 HydrophobicContact CG-CG 3.68Å; Q53-F165 VanDerWaalsContact OE1-CD1 3.24Å
54	F	96.1	Very high	86.9	Confident	23 Å²	23	60.9 Å²	60.9	10%	0.101	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	150.8	-170.5	-61.1	-91.4	0	0	0	110.9	P52 K80 E83 F122 F157	P52-F54 HydrophobicContact CB-CE2 4.01Å; P52-F54 HydrophobicContact CB-CZ 4.12Å; P52-F54 HydrophobicContact CG-CE2 4.31Å; F54-K80 HydrophobicContact CB-CB 3.87Å; F54-K80 PolarHBondContact N-O 3.24Å; F54-K80 PolarHBondContact O-N 3.33Å; F54-K80 VanDerWaalsContact O-O 3.05Å; F54-E83 HydrophobicContact CD1-CB 3.88Å; F54-E83 HydrophobicContact CD1-CG 4.18Å; F54-E83 HydrophobicContact CD2-CB 4.34Å; F54-E83 VanDerWaalsContact CD2-N 3.26Å; F54-E83 HydrophobicContact CE1-CB 3.69Å; F54-E83 HydrophobicContact CE1-CG 4.1Å; F54-E83 HydrophobicContact CE2-CB 4.18Å; F54-E83 HydrophobicContact CG-CB 4.19Å; F54-E83 HydrophobicContact CZ-CB 3.84Å; F54-F122 HydrophobicContact CE1-CE2 4.32Å; F54-F122 HydrophobicContact CE1-CZ 4.26Å; F54-F157 CarbonylContact C-O 3.48Å; F54-F157 WeakPolarHBondContact CA-O 3.14Å
55	R	95.4	Very high	87.7	Confident	2 Å²	2	57.2 Å²	57.2	1%	0.008	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	139.7	-174	-54.8	-67.6	178.1	-102.4	0.6	108.5	L77 V78 L79 I113 F114 Y156 F157	R55-L77 HydrophobicContact CB-CD1 4.26Å; R55-V78 WeakPolarHBondContact CA-O 3.1Å; R55-L79 VanDerWaalsContact CD-CD2 3.43Å; R55-I113 WeakPolarHBondContact CD-O 3.27Å; R55-I113 VanDerWaalsContact CG-O 3.27Å; R55-I113 WeakPolarHBondContact CG-O 3.33Å; R55-I113 PolarHBondContact NE-O 2.84Å; R55-F114 PolarHBondContact NE-O 2.84Å; R55-F114 PolarHBondContact NH2-O 2.89Å; R55-Y156 WeakPolarHBondContact O-CA 3.29Å; R55-F157 HydrophobicContact CB-CB 4.3Å; R55-F157 PolarHBondContact N-O 2.86Å; R55-F157 PolarHBondContact O-N 3.33Å
56	K	94.9	Very high	88.6	Confident	34 Å²	34	58 Å²	58	15%	0.148	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	121.1	172	-179.3	-167.8	-170.1	177	0	107.8	V58 L77 V78 E86 T154 F155 Y156	K56-V58 HydrophobicContact CD-CG2 3.61Å; K56-V58 HydrophobicContact CG-CG2 3.64Å; K56-L77 CarbonylContact O-C 3.48Å; K56-V78 HydrophobicContact CB-CB 4.17Å; K56-V78 PolarHBondContact N-O 3.4Å; K56-V78 PolarHBondContact O-N 3Å; K56-E86 IonicContact NZ-OE1 3.57Å; K56-E86 IonicContact NZ-OE2 2.56Å; K56-T154 HydrophobicContact CD-CG2 3.96Å; K56-T154 HydrophobicContact CG-CG2 3.39Å; K56-F155 CarbonylContact C-O 3.51Å; K56-F155 WeakPolarHBondContact CA-O 3.38Å; K56-Y156 HydrophobicContact CB-CD1 4.32Å; K56-Y156 HydrophobicContact CD-CE1 3.99Å; K56-Y156 HydrophobicContact CG-CD1 4.08Å; K56-Y156 HydrophobicContact CG-CE1 3.86Å
57	L	95.6	Very high	89.5	Confident	2 Å²	2	59.7 Å²	59.7	1%	0.01	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	108.8	169.4	-176.3	71.4	0	0	0	107.5	C75 C111 I142 T154 F155	L57-C75 HydrophobicContact CD1-CB 3.94Å; L57-C75 HydrophobicContact CG-CB 4.38Å; L57-C111 HydrophobicContact CD1-CB 3.88Å; L57-C111 HydrophobicContact CD2-CB 3.67Å; L57-C111 HydrophobicContact CG-CB 4.46Å; L57-I142 HydrophobicContact CB-CD1 3.9Å; L57-I142 HydrophobicContact CD2-CB 4.25Å; L57-I142 HydrophobicContact CD2-CD1 3.65Å; L57-I142 HydrophobicContact CD2-CG2 4.28Å; L57-I142 HydrophobicContact CG-CD1 4.39Å; L57-T154 WeakPolarHBondContact O-CA 3.28Å; L57-F155 HydrophobicContact CB-CB 4.37Å; L57-F155 HydrophobicContact CB-CD2 4.45Å; L57-F155 HydrophobicContact CD2-CD2 4.19Å; L57-F155 PolarHBondContact N-O 2.92Å; L57-F155 PolarHBondContact O-N 3.35Å
58	V	96	Very high	90.5	Very high	21 Å²	21	59.8 Å²	59.8	13%	0.127	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	115.9	-179.5	-177	0	0	0	0	108.4	K56 C75 H76 V78 T154	K56-V58 HydrophobicContact CD-CG2 3.61Å; K56-V58 HydrophobicContact CG-CG2 3.64Å; V58-C75 CarbonylContact O-C 3.54Å; V58-C75 WeakPolarHBondContact O-CA 3.45Å; V58-H76 PolarHBondContact N-O 3.25Å; V58-H76 PolarHBondContact O-N 2.05Å; V58-V78 HydrophobicContact CG2-CG2 4.23Å; V58-T154 HydrophobicContact CG2-CG2 4.21Å
59	C	95.8	Very high	91.7	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	126.1	177.5	-57.9	0	0	0	0	109.6	K74 C75 R144 T152 A153	C59-K74 WeakPolarHBondContact CA-O 2.94Å; C59-C75 HydrophobicContact CB-CB 4.16Å; C59-C75 WeakPolarHBondContact CB-SG 3.01Å; C59-C75 WeakPolarHBondContact SG-CB 3.45Å; C59-C75 CovalentContact SG-SG 2.05Å; C59-C75 PolarHBondContact SG-SG 2.84Å; C59-R144 VanDerWaalsContact CB-NH1 3.29Å; C59-R144 PolarHBondContact SG-NH1 3.28Å; C59-T152 CarbonylContact O-C 3.57Å; C59-T152 VanDerWaalsContact O-CA 3.23Å; C59-T152 WeakPolarHBondContact O-CA 3.34Å; C59-A153 PolarHBondContact N-O 3Å; C59-A153 PolarHBondContact O-N 2.94Å; C59-A153 VanDerWaalsContact O-O 3.13Å
60	T	96.1	Very high	92.8	Very high	56 Å²	56	58.4 Å²	58.4	34%	0.344	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	132.5	-172.1	-51.5	0	0	0	0	110.5	S73 K74 T152	T60-S73 CarbonylContact O-C 3.55Å; T60-S73 VanDerWaalsContact O-CA 3.29Å; T60-S73 WeakPolarHBondContact O-CA 3Å; T60-K74 PolarHBondContact N-O 3.45Å; T60-K74 PolarHBondContact O-N 2.96Å; T60-T152 HydrophobicContact CG2-CG2 4.36Å
61	T	95.8	Very high	93.2	Very high	3 Å²	3	60 Å²	60	2%	0.018	29%	0.294	C	S	.	.			trans	-87.9	154.3	166.9	56.6	0	0	0	0	109.5	D63 Q64 S65 N150 T152	T61-D63 WeakPolarHBondContact CB-OD1 3.07Å; T61-D63 PolarHBondContact O-N 2.86Å; T61-D63 PolarHBondContact OG1-OD1 3.07Å; T61-Q64 PolarHBondContact O-N 2.91Å; T61-Q64 WeakPolarHBondContact OG1-CA 3.41Å; T61-Q64 PolarHBondContact OG1-N 2.84Å; T61-Q64 VanDerWaalsContact OG1-N 3.15Å; T61-S65 PolarHBondContact OG1-N 3.31Å; T61-N150 WeakPolarHBondContact CG2-O 3.49Å; T61-T152 PolarHBondContact N-OG1 3.36Å; T61-T152 PolarHBondContact OG1-OG1 2.8Å
62	K	93.6	Very high	93.3	Very high	169 Å²	169	61.7 Å²	61.7	74%	0.735	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-34.5	176.3	-76.8	171.2	-154.2	150.1	0	112.7	Q64 E71	K62-Q64 VanDerWaalsContact C-N 3.35Å; K62-E71 WeakPolarHBondContact CA-OE1 3.48Å; K62-E71 WeakPolarHBondContact CB-OE1 3.36Å; K62-E71 WeakPolarHBondContact CD-OE1 3.39Å; K62-E71 WeakPolarHBondContact CD-OE2 3.23Å; K62-E71 WeakPolarHBondContact CE-OE2 3.29Å; K62-E71 WeakPolarHBondContact CG-OE1 3.45Å; K62-E71 PolarHBondContact N-OE1 3.45Å; K62-E71 IonicContact NZ-OE2 3.71Å; K62-E71 PolarHBondContact NZ-OE2 2.94Å
63	D	93.7	Very high	93.4	Very high	78 Å²	78	59.1 Å²	59.1	42%	0.417	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-1.1	179.1	69	-8	0	0	0	114	T61 S65 G69	T61-D63 WeakPolarHBondContact CB-OD1 3.07Å; T61-D63 PolarHBondContact O-N 2.86Å; T61-D63 PolarHBondContact OG1-OD1 3.07Å; D63-S65 PolarHBondContact O-N 3.14Å; D63-S65 VanDerWaalsContact O-N 3.09Å; D63-S65 VanDerWaalsContact OD1-CB 3.29Å; D63-S65 WeakPolarHBondContact OD1-CB 3.3Å; D63-S65 PolarHBondContact OD1-N 2.83Å; D63-S65 WeakPolarHBondContact OD2-CB 3.15Å; D63-G69 WeakPolarHBondContact OD2-CA 3.42Å
64	Q	93.4	Very high	93.4	Very high	146 Å²	146	62.7 Å²	62.7	68%	0.682	30%	0.304	S	S	*	.			trans	56.5	19.3	-176.1	-53.3	179.8	37.2	0	0	114.9	T61 K62 R66 T152	T61-Q64 PolarHBondContact O-N 2.91Å; T61-Q64 WeakPolarHBondContact OG1-CA 3.41Å; T61-Q64 PolarHBondContact OG1-N 2.84Å; T61-Q64 VanDerWaalsContact OG1-N 3.15Å; K62-Q64 VanDerWaalsContact C-N 3.35Å; Q64-R66 PolarHBondContact O-N 2.89Å; Q64-T152 WeakPolarHBondContact CA-OG1 3.4Å
65	S	93.5	Very high	93.4	Very high	28 Å²	28	61.7 Å²	61.7	20%	0.196	30%	0.299	C	S	.	.			trans	-62.4	129.1	-180	-179.7	0	0	0	0	111.9	T61 D63 N68 G69 S151 T152	T61-S65 PolarHBondContact OG1-N 3.31Å; D63-S65 PolarHBondContact O-N 3.14Å; D63-S65 VanDerWaalsContact O-N 3.09Å; D63-S65 VanDerWaalsContact OD1-CB 3.29Å; D63-S65 WeakPolarHBondContact OD1-CB 3.3Å; D63-S65 PolarHBondContact OD1-N 2.83Å; D63-S65 WeakPolarHBondContact OD2-CB 3.15Å; S65-N68 PolarHBondContact OG-N 2.94Å; S65-N68 PolarHBondContact OG-O 2.98Å; S65-G69 PolarHBondContact OG-N 2.89Å; S65-S151 CarbonylContact O-C 3.48Å; S65-S151 WeakPolarHBondContact O-CA 3.41Å; S65-T152 PolarHBondContact O-N 2.91Å
66	R	92.3	Very high	93.5	Very high	114 Å²	114	62.8 Å²	62.8	43%	0.43	30%	0.304	S	S	.	.	S	Bend	trans	-90	-15	173.8	-68.8	-176.5	66.9	-150.8	-3.1	114.1	Q64 E127 H130 P131 S151	Q64-R66 PolarHBondContact O-N 2.89Å; R66-E127 IonicContact CZ-OE1 2.72Å; R66-E127 VanDerWaalsContact CZ-OE1 3.27Å; R66-E127 IonicContact NE-OE1 2.62Å; R66-E127 PolarHBondContact NE-OE1 3.35Å; R66-E127 IonicContact NH2-OE1 3.27Å; R66-E127 PolarHBondContact NH2-OE1 3.48Å; R66-H130 PolarHBondContact O-CE1 2.76Å; R66-H130 PolarHBondContact O-NE2 3.35Å; R66-P131 HydrophobicContact CB-CG 4.34Å; R66-P131 WeakPolarHBondContact O-CG 3.44Å; R66-S151 WeakPolarHBondContact O-CB 3.23Å; R66-S151 PolarHBondContact O-OG 2.67Å
67	K	86.9	Confident	93.6	Very high	149 Å²	149	61.2 Å²	61.2	65%	0.648	30%	0.298	S	S	*	.	S	Bend	trans	-103.4	-50	-170.6	-71	-176.6	179.3	-179.7	0	112.6	P131 S132 S151	K67-P131 HydrophobicContact CG-CB 4.15Å; K67-P131 HydrophobicContact CG-CG 3.76Å; K67-S132 VanDerWaalsContact C-OG 3.29Å; K67-S132 WeakPolarHBondContact CA-OG 3.48Å; K67-S132 WeakPolarHBondContact O-CB 3.26Å; K67-S132 PolarHBondContact O-OG 3.34Å; K67-S151 PolarHBondContact O-OG 2.9Å
68	N	85.7	Confident	93.7	Very high	90 Å²	90	61.3 Å²	61.3	48%	0.481	30%	0.299	S	S	.	.			trans	-175.4	93	178.1	-167.9	38.2	0	0	0	107.1	S65 N150	S65-N68 PolarHBondContact OG-N 2.94Å; S65-N68 PolarHBondContact OG-O 2.98Å; N68-N150 WeakPolarHBondContact OD1-CB 3.35Å
69	G	88.9	Confident	93.8	Very high	2 Å²	2	60.3 Å²	60.3	2%	0.021	29%	0.293	C	S	.	.			trans	-74.9	164.9	172.7	0	0	0	0	0	111.6	D63 S65 E71 N150	D63-G69 WeakPolarHBondContact OD2-CA 3.42Å; S65-G69 PolarHBondContact OG-N 2.89Å; G69-E71 PolarHBondContact O-N 2.8Å; G69-N150 WeakPolarHBondContact CA-O 3.34Å; G69-N150 PolarHBondContact N-O 3.42Å; G69-N150 WeakPolarHBondContact O-CB 3.37Å; G69-N150 PolarHBondContact O-ND2 2.76Å
70	N	91.2	Very high	93.8	Very high	160 Å²	160	60.7 Å²	60.7	86%	0.856	29%	0.294	S	S	*	.	S	Bend	trans	-76.7	-5.3	-178.4	-64.9	-33.1	0	0	0	113.4
71	E	92.7	Very high	93.7	Very high	52 Å²	52	60.8 Å²	60.8	24%	0.243	29%	0.292	C	S	.	.	S	Bend	trans	-141.5	160.7	-176.7	55.2	164.4	-141.7	0	0	112.4	K62 G69 S73 N150	K62-E71 WeakPolarHBondContact CA-OE1 3.48Å; K62-E71 WeakPolarHBondContact CB-OE1 3.36Å; K62-E71 WeakPolarHBondContact CD-OE1 3.39Å; K62-E71 WeakPolarHBondContact CD-OE2 3.23Å; K62-E71 WeakPolarHBondContact CE-OE2 3.29Å; K62-E71 WeakPolarHBondContact CG-OE1 3.45Å; K62-E71 PolarHBondContact N-OE1 3.45Å; K62-E71 IonicContact NZ-OE2 3.71Å; K62-E71 PolarHBondContact NZ-OE2 2.94Å; G69-E71 PolarHBondContact O-N 2.8Å; E71-S73 PolarHBondContact O-N 3.09Å; E71-N150 WeakPolarHBondContact O-CA 3.4Å; E71-N150 PolarHBondContact O-ND2 3.13Å
72	L	93	Very high	93.6	Very high	89 Å²	89	64.3 Å²	64.3	47%	0.466	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-64.2	127.2	173.5	-66.1	174.7	0	0	0	110	L149	L72-L149 HydrophobicContact CD2-CB 3.68Å; L72-L149 HydrophobicContact CD2-CD1 4.34Å
73	S	95.3	Very high	93.6	Very high	7 Å²	7	59.2 Å²	59.2	5%	0.049	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-62.7	145.7	170	62.6	0	0	0	0	111	T60 E71 R144 L149 S151	T60-S73 CarbonylContact O-C 3.55Å; T60-S73 VanDerWaalsContact O-CA 3.29Å; T60-S73 WeakPolarHBondContact O-CA 3Å; E71-S73 PolarHBondContact O-N 3.09Å; S73-R144 VanDerWaalsContact OG-CZ 3.23Å; S73-R144 PolarHBondContact OG-NH1 3.01Å; S73-R144 PolarHBondContact OG-NH2 3.31Å; S73-L149 WeakPolarHBondContact CB-O 3.37Å; S73-L149 PolarHBondContact N-O 2.88Å; S73-L149 PolarHBondContact OG-O 3.01Å; S73-S151 WeakPolarHBondContact CB-O 3.5Å
74	K	95.4	Very high	93.6	Very high	92 Å²	92	64.6 Å²	64.6	40%	0.4	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	131.3	173.8	-58.9	-169.3	-177	175.6	0	111.7	C59 T60 E93	C59-K74 WeakPolarHBondContact CA-O 2.94Å; T60-K74 PolarHBondContact N-O 3.45Å; T60-K74 PolarHBondContact O-N 2.96Å; K74-E93 HydrophobicContact CB-CG 3.98Å; K74-E93 HydrophobicContact CD-CG 4.08Å; K74-E93 WeakPolarHBondContact CD-OE1 3.46Å; K74-E93 IonicContact NZ-OE1 2.81Å; K74-E93 PolarHBondContact NZ-OE1 3.2Å
75	C	96.4	Very high	93.6	Very high	1 Å²	1	60 Å²	60	1%	0.007	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	151	-175.5	-57.7	0	0	0	0	112.5	L57 V58 C59 Q94 R144	L57-C75 HydrophobicContact CD1-CB 3.94Å; L57-C75 HydrophobicContact CG-CB 4.38Å; V58-C75 CarbonylContact O-C 3.54Å; V58-C75 WeakPolarHBondContact O-CA 3.45Å; C59-C75 HydrophobicContact CB-CB 4.16Å; C59-C75 WeakPolarHBondContact CB-SG 3.01Å; C59-C75 WeakPolarHBondContact SG-CB 3.45Å; C59-C75 CovalentContact SG-SG 2.05Å; C59-C75 PolarHBondContact SG-SG 2.84Å; C75-Q94 WeakPolarHBondContact O-CA 3.12Å; C75-Q94 PolarHBondContact O-N 2.81Å; C75-R144 PolarHBondContact SG-NH1 2.97Å
76	H	97.2	Very high	93.7	Very high	25 Å²	25	64 Å²	64	12%	0.116	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	144.6	161.6	59.3	-84.3	0	0	0	109.9	V58 K90	V58-H76 PolarHBondContact N-O 3.25Å; V58-H76 PolarHBondContact O-N 2.05Å; H76-K90 VanDerWaalsContact CD2-CE 3.45Å; H76-K90 WeakPolarHBondContact CD2-CE 3.16Å
77	L	97.5	Very high	93.7	Very high	1 Å²	1	63.9 Å²	63.9	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	138.8	173.1	-170.1	70.4	0	0	0	109.7	R55 K56 L79 A91 F114 L179	R55-L77 HydrophobicContact CB-CD1 4.26Å; K56-L77 CarbonylContact O-C 3.48Å; L77-L79 HydrophobicContact CD2-CD2 3.74Å; L77-L79 HydrophobicContact CG-CD2 4.26Å; L77-A91 HydrophobicContact CB-CB 4.22Å; L77-A91 VanDerWaalsContact O-CB 3.29Å; L77-A91 WeakPolarHBondContact O-CB 3.4Å; L77-A91 PolarHBondContact O-N 2.03Å; L77-F114 HydrophobicContact CD2-CB 3.74Å; L77-L179 HydrophobicContact CD2-CD1 3.93Å; L77-L179 HydrophobicContact CD2-CD2 4.44Å
78	V	97.8	Very high	94.2	Very high	5 Å²	5	57.6 Å²	57.6	3%	0.03	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	122.9	170.3	-178.5	0	0	0	0	107.9	R55 K56 V58 K80 P87 R89	R55-V78 WeakPolarHBondContact CA-O 3.1Å; K56-V78 HydrophobicContact CB-CB 4.17Å; K56-V78 PolarHBondContact N-O 3.4Å; K56-V78 PolarHBondContact O-N 3Å; V58-V78 HydrophobicContact CG2-CG2 4.23Å; V78-K80 HydrophobicContact CG1-CG 4.29Å; V78-P87 WeakPolarHBondContact CG1-O 3.35Å; V78-R89 WeakPolarHBondContact CA-O 3.1Å
79	L	97.3	Very high	94.7	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	136.6	176	-50.8	172	0	0	0	109.3	R55 L77 R89 F114 I175 F176	R55-L79 VanDerWaalsContact CD-CD2 3.43Å; L77-L79 HydrophobicContact CD2-CD2 3.74Å; L77-L79 HydrophobicContact CG-CD2 4.26Å; L79-R89 HydrophobicContact CB-CB 4.27Å; L79-R89 PolarHBondContact N-O 2.81Å; L79-R89 PolarHBondContact O-N 2.76Å; L79-F114 HydrophobicContact CD2-CB 4.44Å; L79-I175 HydrophobicContact CD1-CB 4.33Å; L79-I175 HydrophobicContact CD1-CD1 3.61Å; L79-I175 HydrophobicContact CD1-CG2 3.79Å; L79-F176 HydrophobicContact CD1-CE1 3.9Å
80	K	96.9	Very high	95.1	Very high	8 Å²	8	61.1 Å²	61.1	4%	0.035	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	135.9	-179.6	-66.1	172.5	54	149.5	0	109.5	F54 V78 T82 E83 E85 E86	F54-K80 HydrophobicContact CB-CB 3.87Å; F54-K80 PolarHBondContact N-O 3.24Å; F54-K80 PolarHBondContact O-N 3.33Å; F54-K80 VanDerWaalsContact O-O 3.05Å; V78-K80 HydrophobicContact CG1-CG 4.29Å; K80-T82 WeakPolarHBondContact CB-O 3.2Å; K80-T82 VanDerWaalsContact CE-O 3.25Å; K80-T82 WeakPolarHBondContact CE-O 2.95Å; K80-E83 WeakPolarHBondContact CE-O 3.45Å; K80-E83 PolarHBondContact NZ-O 3.35Å; K80-E85 WeakPolarHBondContact CA-OE2 3.46Å; K80-E85 HydrophobicContact CB-CB 4.24Å; K80-E85 WeakPolarHBondContact CD-O 3.11Å; K80-E85 WeakPolarHBondContact CE-O 3.08Å; K80-E85 HydrophobicContact CG-CB 4.29Å; K80-E85 PolarHBondContact NZ-O 2.83Å; K80-E86 IonicContact NZ-OE1 3.81Å; K80-E86 PolarHBondContact NZ-OE1 2.93Å
81	D	93.4	Very high	95.4	Very high	57 Å²	57	53.5 Å²	53.5	31%	0.305	26%	0.263	S	S	.	.	S	Bend	trans	-83.3	-25	175.8	-65	-16.2	0	0	0	110.4	Q53 E85 R89 R166	Q53-D81 PolarHBondContact OE1-OD1 2.56Å; D81-E85 PolarHBondContact N-OE2 3.4Å; D81-R89 IonicContact OD1-CZ 2.69Å; D81-R89 IonicContact OD1-NE 2.79Å; D81-R89 IonicContact OD1-NH2 3.77Å; D81-R89 PolarHBondContact OD1-NH2 3.43Å; D81-R166 IonicContact OD1-NE 3.96Å; D81-R166 IonicContact OD1-NH2 3.79Å; D81-R166 IonicContact OD2-CZ 3.62Å; D81-R166 IonicContact OD2-NE 2.7Å; D81-R166 IonicContact OD2-NH2 3.9Å; D81-R166 PolarHBondContact OD2-NH2 3.27Å; D81-R166 VanDerWaalsContact OD2-NH2 3.09Å
82	T	93.2	Very high	95.6	Very high	78 Å²	78	54.1 Å²	54.1	48%	0.479	27%	0.272	S	S	.	.	S	Bend	trans	-130	160.7	171	72.2	0	0	0	0	112.1	K80 Y84 E85	K80-T82 WeakPolarHBondContact CB-O 3.2Å; K80-T82 VanDerWaalsContact CE-O 3.25Å; K80-T82 WeakPolarHBondContact CE-O 2.95Å; T82-Y84 VanDerWaalsContact C-N 3.25Å; T82-Y84 PolarHBondContact O-N 3.2Å; T82-E85 PolarHBondContact O-N 3.08Å; T82-E85 PolarHBondContact OG1-N 3.19Å
83	E	93.3	Very high	95.7	Very high	62 Å²	62	54.8 Å²	54.8	29%	0.29	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-33.2	-178.1	-175.6	166.4	-157	0	0	113.4	F54 K80 S124	F54-E83 HydrophobicContact CD1-CB 3.88Å; F54-E83 HydrophobicContact CD1-CG 4.18Å; F54-E83 HydrophobicContact CD2-CB 4.34Å; F54-E83 VanDerWaalsContact CD2-N 3.26Å; F54-E83 HydrophobicContact CE1-CB 3.69Å; F54-E83 HydrophobicContact CE1-CG 4.1Å; F54-E83 HydrophobicContact CE2-CB 4.18Å; F54-E83 HydrophobicContact CG-CB 4.19Å; F54-E83 HydrophobicContact CZ-CB 3.84Å; K80-E83 WeakPolarHBondContact CE-O 3.45Å; K80-E83 PolarHBondContact NZ-O 3.35Å; E83-S124 VanDerWaalsContact OE1-O 3.06Å
84	Y	93.8	Very high	95.7	Very high	190 Å²	190	56.6 Å²	56.6	75%	0.745	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	4.4	-173.3	-52.4	-72.1	0	0	0	113.8	T82 E86	T82-Y84 VanDerWaalsContact C-N 3.25Å; T82-Y84 PolarHBondContact O-N 3.2Å; Y84-E86 PolarHBondContact O-N 2.74Å
85	E	94.3	Very high	95.8	Very high	51 Å²	51	52.3 Å²	52.3	24%	0.238	26%	0.262	C	S	.	.			trans	-63	121.8	177.8	-176.9	-172.4	155.5	0	0	111.6	K80 D81 T82	K80-E85 WeakPolarHBondContact CA-OE2 3.46Å; K80-E85 HydrophobicContact CB-CB 4.24Å; K80-E85 WeakPolarHBondContact CD-O 3.11Å; K80-E85 WeakPolarHBondContact CE-O 3.08Å; K80-E85 HydrophobicContact CG-CB 4.29Å; K80-E85 PolarHBondContact NZ-O 2.83Å; D81-E85 PolarHBondContact N-OE2 3.4Å; T82-E85 PolarHBondContact O-N 3.08Å; T82-E85 PolarHBondContact OG1-N 3.19Å
86	E	94.7	Very high	95.7	Very high	112 Å²	112	52.2 Å²	52.2	52%	0.523	26%	0.262	S	S	.	.	S	Bend	trans	-132.3	143.2	171.7	-65.6	-65.1	143.6	0	0	109.5	K56 K80 Y84 G88	K56-E86 IonicContact NZ-OE1 3.57Å; K56-E86 IonicContact NZ-OE2 2.56Å; K80-E86 IonicContact NZ-OE1 3.81Å; K80-E86 PolarHBondContact NZ-OE1 2.93Å; Y84-E86 PolarHBondContact O-N 2.74Å; E86-G88 VanDerWaalsContact C-N 3.26Å
87	P	93.7	Very high	95.7	Very high	111 Å²	111	51.2 Å²	51.2	72%	0.721	26%	0.257	S	S	*	.	S	Bend	cis	-78.8	-1.8	2.3	34.1	-36.5	0	0	0	113.9	V78	V78-P87 WeakPolarHBondContact CG1-O 3.35Å
88	G	95.9	Very high	95.5	Very high	17 Å²	17	52.3 Å²	52.3	18%	0.175	26%	0.262	C	S	.	.			trans	69.6	-169.5	-171.4	0	0	0	0	0	112.8	E86	E86-G88 VanDerWaalsContact C-N 3.26Å
89	R	96.6	Very high	95.3	Very high	35 Å²	35	56.4 Å²	56.4	13%	0.132	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	100.7	-173.5	-58.2	168.8	-66.8	119	-12.7	110.8	V78 L79 D81 R166 D172	V78-R89 WeakPolarHBondContact CA-O 3.1Å; L79-R89 HydrophobicContact CB-CB 4.27Å; L79-R89 PolarHBondContact N-O 2.81Å; L79-R89 PolarHBondContact O-N 2.76Å; D81-R89 IonicContact OD1-CZ 2.69Å; D81-R89 IonicContact OD1-NE 2.79Å; D81-R89 IonicContact OD1-NH2 3.77Å; D81-R89 PolarHBondContact OD1-NH2 3.43Å; R89-R166 VanDerWaalsContact CD-NH2 3.29Å; R89-D172 WeakPolarHBondContact CB-OD2 3.39Å; R89-D172 WeakPolarHBondContact CD-OD2 3.28Å; R89-D172 IonicContact CZ-OD1 3.43Å; R89-D172 IonicContact CZ-OD2 3.09Å; R89-D172 IonicContact NE-OD2 3.66Å; R89-D172 IonicContact NH1-OD1 2.83Å; R89-D172 PolarHBondContact NH1-OD1 2.76Å; R89-D172 IonicContact NH1-OD2 3.83Å; R89-D172 PolarHBondContact NH1-OD2 2.69Å
90	K	97.3	Very high	95	Very high	130 Å²	130	60.8 Å²	60.8	57%	0.565	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.9	123.3	-172.1	174.1	167.4	178.5	177.3	0	112.6	H76 F176	H76-K90 VanDerWaalsContact CD2-CE 3.45Å; H76-K90 WeakPolarHBondContact CD2-CE 3.16Å; K90-F176 WeakPolarHBondContact O-CE2 3.4Å; K90-F176 VanDerWaalsContact O-CZ 3.31Å; K90-F176 WeakPolarHBondContact O-CZ 3.44Å
91	A	97.5	Very high	94.7	Very high	1 Å²	1	69.2 Å²	69.2	1%	0.008	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-74.2	158.7	166.7	0	0	0	0	0	111.1	L77 F176 L179	L77-A91 HydrophobicContact CB-CB 4.22Å; L77-A91 VanDerWaalsContact O-CB 3.29Å; L77-A91 WeakPolarHBondContact O-CB 3.4Å; L77-A91 PolarHBondContact O-N 2.03Å; A91-F176 HydrophobicContact CB-CD1 3.7Å; A91-F176 HydrophobicContact CB-CE1 3.61Å; A91-F176 HydrophobicContact CB-CZ 4.35Å; A91-L179 HydrophobicContact CB-CD1 3.97Å
92	P	96.5	Very high	94.3	Very high	65 Å²	65	72.6 Å²	72.6	42%	0.422	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-56.5	151.1	173.9	-23.4	33.6	0	0	0	112.7	Q94 A95	P92-Q94 PolarHBondContact O-N 3.38Å; P92-A95 HydrophobicContact CB-CB 4.16Å; P92-A95 HydrophobicContact CG-CB 4.5Å; P92-A95 VanDerWaalsContact O-CB 3.24Å; P92-A95 WeakPolarHBondContact O-CB 3.47Å; P92-A95 PolarHBondContact O-N 3.43Å; P92-A95 VanDerWaalsContact O-N 3.13Å
93	E	96.5	Very high	94.1	Very high	102 Å²	102	72.4 Å²	72.4	48%	0.477	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	135.7	175.4	-176.7	174.6	93.5	0	0	111	K74 A95	K74-E93 HydrophobicContact CB-CG 3.98Å; K74-E93 HydrophobicContact CD-CG 4.08Å; K74-E93 WeakPolarHBondContact CD-OE1 3.46Å; K74-E93 IonicContact NZ-OE1 2.81Å; K74-E93 PolarHBondContact NZ-OE1 3.2Å; E93-A95 PolarHBondContact O-N 2.74Å; E93-A95 VanDerWaalsContact O-N 3.09Å
94	Q	95.3	Very high	93.8	Very high	45 Å²	45	77.7 Å²	77.7	21%	0.21	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	2.4	-175.8	-62.2	-66.5	-10.6	0	0	116.3	C75 P92 G96 C97 Q183	C75-Q94 WeakPolarHBondContact O-CA 3.12Å; C75-Q94 PolarHBondContact O-N 2.81Å; P92-Q94 PolarHBondContact O-N 3.38Å; Q94-G96 PolarHBondContact O-N 2.89Å; Q94-C97 PolarHBondContact O-N 3.5Å; Q94-C97 VanDerWaalsContact O-N 3.07Å; Q94-Q183 WeakPolarHBondContact O-CG 3.43Å
95	A	96.2	Very high	93.4	Very high	2 Å²	2	74.8 Å²	74.8	2%	0.017	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	125.3	177.1	0	0	0	0	0	110.5	P92 E93 C97 L179	P92-A95 HydrophobicContact CB-CB 4.16Å; P92-A95 HydrophobicContact CG-CB 4.5Å; P92-A95 VanDerWaalsContact O-CB 3.24Å; P92-A95 WeakPolarHBondContact O-CB 3.47Å; P92-A95 PolarHBondContact O-N 3.43Å; P92-A95 VanDerWaalsContact O-N 3.13Å; E93-A95 PolarHBondContact O-N 2.74Å; E93-A95 VanDerWaalsContact O-N 3.09Å; A95-C97 VanDerWaalsContact C-N 3.29Å; A95-L179 HydrophobicContact CB-CB 3.9Å
96	G	95.6	Very high	93.1	Very high	0 Å²	0	73 Å²	73	0%	0	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	83	1.5	-178.3	0	0	0	0	0	114.4	Q94 D112 L179	Q94-G96 PolarHBondContact O-N 2.89Å; G96-D112 WeakPolarHBondContact O-CB 3.46Å; G96-D112 PolarHBondContact O-N 3.46Å; G96-L179 VanDerWaalsContact CA-O 3.29Å; G96-L179 WeakPolarHBondContact CA-O 3.39Å; G96-L179 PolarHBondContact N-O 3.37Å
97	C	95.8	Very high	93	Very high	4 Å²	4	70 Å²	70	3%	0.027	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	139	176.4	-60.5	0	0	0	0	111.5	Q94 A95 V109 Y110 C111 Q183	Q94-C97 PolarHBondContact O-N 3.5Å; Q94-C97 VanDerWaalsContact O-N 3.07Å; A95-C97 VanDerWaalsContact C-N 3.29Å; C97-V109 HydrophobicContact CB-CG1 4.3Å; C97-Y110 CarbonylContact C-O 3.6Å; C97-Y110 WeakPolarHBondContact CA-O 2.98Å; C97-C111 HydrophobicContact CB-CB 4.21Å; C97-C111 WeakPolarHBondContact CB-SG 3.33Å; C97-C111 WeakPolarHBondContact SG-CB 3.32Å; C97-C111 CovalentContact SG-SG 2.05Å; C97-C111 PolarHBondContact SG-SG 2.83Å; C97-Q183 WeakPolarHBondContact O-CA 3.47Å
98	F	94.5	Very high	92.9	Very high	24 Å²	24	66.5 Å²	66.5	11%	0.105	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	157	173	62.4	-88	0	0	0	111.1	E100 V109 Y110 Y141 K184	F98-E100 HydrophobicContact CD2-CG 3.82Å; F98-E100 HydrophobicContact CE2-CG 3.83Å; F98-E100 WeakPolarHBondContact CE2-OE1 3.38Å; F98-V109 CarbonylContact O-C 3.51Å; F98-V109 WeakPolarHBondContact O-CA 3.48Å; F98-Y110 HydrophobicContact CD2-CD2 4.28Å; F98-Y110 AromaticContact CE2-CD2 3.7Å; F98-Y110 HydrophobicContact CE2-CD2 3.7Å; F98-Y110 AromaticContact CE2-CG 3.96Å; F98-Y110 HydrophobicContact CE2-CG 3.96Å; F98-Y110 HydrophobicContact CZ-CD2 4.15Å; F98-Y110 AromaticContact CZ-CG 3.92Å; F98-Y110 HydrophobicContact CZ-CG 3.92Å; F98-Y110 PolarHBondContact N-O 2.72Å; F98-Y110 PolarHBondContact O-N 3.27Å; F98-Y141 HydrophobicContact CE1-CD1 4.06Å; F98-Y141 AromaticContact CE1-CE1 3.62Å; F98-Y141 HydrophobicContact CE1-CE1 3.62Å; F98-Y141 HydrophobicContact CZ-CE1 4.33Å; F98-K184 WeakPolarHBondContact CA-O 3.29Å; F98-K184 HydrophobicContact CB-CB 3.75Å; F98-K184 HydrophobicContact CB-CG 4.34Å
99	M	93.1	Very high	92.8	Very high	91 Å²	91	66.6 Å²	66.6	45%	0.448	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	133	-175	-167.9	166.4	67.6	0	0	110.6	T107 R108 V109	M99-T107 HydrophobicContact CG-CG2 3.09Å; M99-T107 HydrophobicContact SD-CG2 3.44Å; M99-T107 WeakPolarHBondContact SD-CG2 3.24Å; M99-R108 CarbonylContact C-O 3.51Å; M99-R108 WeakPolarHBondContact CA-O 3.34Å; M99-V109 HydrophobicContact CB-CG2 4.27Å; M99-V109 HydrophobicContact CG-CG2 4.01Å; M99-V109 HydrophobicContact SD-CG2 4.28Å
100	E	92	Very high	92.7	Very high	92 Å²	92	66.4 Å²	66.4	43%	0.43	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	144.8	175	-64.5	-174.3	163.6	0	0	110.8	F98 Y102 T107 R108 Y110	F98-E100 HydrophobicContact CD2-CG 3.82Å; F98-E100 HydrophobicContact CE2-CG 3.83Å; F98-E100 WeakPolarHBondContact CE2-OE1 3.38Å; E100-Y102 PolarHBondContact O-N 3.32Å; E100-T107 WeakPolarHBondContact O-CA 3.48Å; E100-R108 PolarHBondContact N-O 3.01Å; E100-R108 PolarHBondContact O-N 3.29Å; E100-Y110 HydrophobicContact CB-CE2 4.14Å; E100-Y110 HydrophobicContact CG-CD2 4.48Å; E100-Y110 HydrophobicContact CG-CE2 4.4Å
101	K	89.9	Confident	92.6	Very high	184 Å²	184	60.3 Å²	60.3	80%	0.8	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.8	114.4	166	-69.2	-173.9	179.1	-177.5	0	108.1
102	Y	85.7	Confident	92.5	Very high	128 Å²	128	60.6 Å²	60.6	50%	0.502	30%	0.302	S	S	.	.			trans	-80.8	-37	177.4	177.7	-113.2	0	0	0	111.4	E100 S106 R108	E100-Y102 PolarHBondContact O-N 3.32Å; Y102-S106 PolarHBondContact N-O 3.02Å; Y102-R108 VanDerWaalsContact CD2-CZ 3.49Å; Y102-R108 VanDerWaalsContact CD2-NH1 3.28Å; Y102-R108 VanDerWaalsContact CE1-CZ 3.47Å; Y102-R108 VanDerWaalsContact CE2-CZ 3.47Å; Y102-R108 HydrophobicContact CG-CG 4.36Å; Y102-R108 VanDerWaalsContact CZ-CZ 3.44Å; Y102-R108 VanDerWaalsContact CZ-NH2 3.26Å
103	N	88.1	Confident	92.4	Very high	75 Å²	75	57.5 Å²	57.5	40%	0.401	28%	0.281	S	S	.	.	S	Bend	trans	-148	-166.9	170.3	65	24.6	0	0	0	109.5	T105 S106	N103-T105 PolarHBondContact O-N 3.26Å; N103-T105 PolarHBondContact OD1-N 3.18Å; N103-T105 PolarHBondContact OD1-OG1 2.92Å; N103-S106 PolarHBondContact N-O 3.41Å; N103-S106 PolarHBondContact ND2-OG 2.99Å; N103-S106 VanDerWaalsContact ND2-OG 3.13Å; N103-S106 WeakPolarHBondContact OD1-CA 3.3Å; N103-S106 WeakPolarHBondContact OD1-CB 3.2Å; N103-S106 PolarHBondContact OD1-N 3.13Å; N103-S106 PolarHBondContact OD1-OG 3.36Å
104	I	86.9	Confident	92.4	Very high	173 Å²	173	52.7 Å²	52.7	89%	0.887	26%	0.259	S	S	*	.	S	Bend	trans	-61.7	-31	-177.3	-56.8	172.2	0	0	0	112
105	T	85.9	Confident	92.3	Very high	129 Å²	129	51.3 Å²	51.3	79%	0.791	25%	0.254	S	S	*	.	S	Bend	trans	-113.6	-17	-170.1	57.6	0	0	0	0	114.6	N103	N103-T105 PolarHBondContact O-N 3.26Å; N103-T105 PolarHBondContact OD1-N 3.18Å; N103-T105 PolarHBondContact OD1-OG1 2.92Å
106	S	88.1	Confident	92.2	Very high	14 Å²	14	52.5 Å²	52.5	10%	0.098	26%	0.262	C	S	.	.			trans	-122.6	136.5	-170.8	70.1	0	0	0	0	112.2	Y102 N103	Y102-S106 PolarHBondContact N-O 3.02Å; N103-S106 PolarHBondContact N-O 3.41Å; N103-S106 PolarHBondContact ND2-OG 2.99Å; N103-S106 VanDerWaalsContact ND2-OG 3.13Å; N103-S106 WeakPolarHBondContact OD1-CA 3.3Å; N103-S106 WeakPolarHBondContact OD1-CB 3.2Å; N103-S106 PolarHBondContact OD1-N 3.13Å; N103-S106 PolarHBondContact OD1-OG 3.36Å
107	T	91.2	Very high	91.9	Very high	47 Å²	47	58.9 Å²	58.9	29%	0.288	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	138.8	176.5	-63	0	0	0	0	108.7	M99 E100	M99-T107 HydrophobicContact CG-CG2 3.09Å; M99-T107 HydrophobicContact SD-CG2 3.44Å; M99-T107 WeakPolarHBondContact SD-CG2 3.24Å; E100-T107 WeakPolarHBondContact O-CA 3.48Å
108	R	92.6	Very high	91.7	Very high	39 Å²	39	59.8 Å²	59.8	15%	0.147	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	135.8	173.3	-74.8	-179.3	179.6	177.2	0.4	109.8	M99 E100 Y102 Y110 W143 R144	M99-R108 CarbonylContact C-O 3.51Å; M99-R108 WeakPolarHBondContact CA-O 3.34Å; E100-R108 PolarHBondContact N-O 3.01Å; E100-R108 PolarHBondContact O-N 3.29Å; Y102-R108 VanDerWaalsContact CD2-CZ 3.49Å; Y102-R108 VanDerWaalsContact CD2-NH1 3.28Å; Y102-R108 VanDerWaalsContact CE1-CZ 3.47Å; Y102-R108 VanDerWaalsContact CE2-CZ 3.47Å; Y102-R108 HydrophobicContact CG-CG 4.36Å; Y102-R108 VanDerWaalsContact CZ-CZ 3.44Å; Y102-R108 VanDerWaalsContact CZ-NH2 3.26Å; R108-Y110 HydrophobicContact CB-CD2 4.24Å; R108-Y110 HydrophobicContact CB-CE2 3.58Å; R108-Y110 WeakPolarHBondContact CD-OH 3.29Å; R108-W143 HydrophobicContact CG-CE3 4Å; R108-W143 HydrophobicContact CG-CZ3 4.46Å; R108-R144 VanDerWaalsContact CA-O 3.3Å; R108-R144 WeakPolarHBondContact CA-O 3.36Å
109	V	93.7	Very high	91.5	Very high	18 Å²	18	62.8 Å²	62.8	11%	0.109	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	120.2	166.6	175.7	0	0	0	0	107.6	C97 F98 M99 W143 R144 L149	C97-V109 HydrophobicContact CB-CG1 4.3Å; F98-V109 CarbonylContact O-C 3.51Å; F98-V109 WeakPolarHBondContact O-CA 3.48Å; M99-V109 HydrophobicContact CB-CG2 4.27Å; M99-V109 HydrophobicContact CG-CG2 4.01Å; M99-V109 HydrophobicContact SD-CG2 4.28Å; V109-W143 CarbonylContact O-C 3.48Å; V109-W143 VanDerWaalsContact O-CA 3.23Å; V109-W143 WeakPolarHBondContact O-CA 3.25Å; V109-R144 PolarHBondContact N-O 2.89Å; V109-R144 PolarHBondContact O-N 3.28Å; V109-L149 HydrophobicContact CB-CD2 3.59Å; V109-L149 HydrophobicContact CG2-CD1 4.46Å; V109-L149 HydrophobicContact CG2-CD2 3.44Å; V109-L149 VanDerWaalsContact CG2-CD2 3.44Å
110	Y	93.9	Very high	91.3	Very high	31 Å²	31	61.5 Å²	61.5	12%	0.122	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	129.9	174.4	-63.6	-93.1	0	0	0	108.4	C97 F98 E100 R108 I142 W143	C97-Y110 CarbonylContact C-O 3.6Å; C97-Y110 WeakPolarHBondContact CA-O 2.98Å; F98-Y110 HydrophobicContact CD2-CD2 4.28Å; F98-Y110 AromaticContact CE2-CD2 3.7Å; F98-Y110 HydrophobicContact CE2-CD2 3.7Å; F98-Y110 AromaticContact CE2-CG 3.96Å; F98-Y110 HydrophobicContact CE2-CG 3.96Å; F98-Y110 HydrophobicContact CZ-CD2 4.15Å; F98-Y110 AromaticContact CZ-CG 3.92Å; F98-Y110 HydrophobicContact CZ-CG 3.92Å; F98-Y110 PolarHBondContact N-O 2.72Å; F98-Y110 PolarHBondContact O-N 3.27Å; E100-Y110 HydrophobicContact CB-CE2 4.14Å; E100-Y110 HydrophobicContact CG-CD2 4.48Å; E100-Y110 HydrophobicContact CG-CE2 4.4Å; R108-Y110 HydrophobicContact CB-CD2 4.24Å; R108-Y110 HydrophobicContact CB-CE2 3.58Å; R108-Y110 WeakPolarHBondContact CD-OH 3.29Å; Y110-I142 CarbonylContact C-O 3.57Å; Y110-I142 WeakPolarHBondContact CA-O 3.42Å; Y110-W143 HydrophobicContact CD1-CB 3.43Å; Y110-W143 VanDerWaalsContact CD1-CB 3.43Å; Y110-W143 HydrophobicContact CD1-CG 4.26Å; Y110-W143 HydrophobicContact CE1-CB 3.49Å; Y110-W143 VanDerWaalsContact CE1-CB 3.49Å; Y110-W143 AromaticContact CE1-CG 3.91Å; Y110-W143 HydrophobicContact CE1-CG 3.91Å; Y110-W143 HydrophobicContact CG-CB 4.09Å
111	C	95.3	Very high	91.4	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.014	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	127.6	176.4	-70.5	0	0	0	0	110	L57 C97 Y141 I142	L57-C111 HydrophobicContact CD1-CB 3.88Å; L57-C111 HydrophobicContact CD2-CB 3.67Å; L57-C111 HydrophobicContact CG-CB 4.46Å; C97-C111 HydrophobicContact CB-CB 4.21Å; C97-C111 WeakPolarHBondContact CB-SG 3.33Å; C97-C111 WeakPolarHBondContact SG-CB 3.32Å; C97-C111 CovalentContact SG-SG 2.05Å; C97-C111 PolarHBondContact SG-SG 2.83Å; C111-Y141 WeakPolarHBondContact O-CA 3.36Å; C111-I142 PolarHBondContact N-O 2.97Å; C111-I142 PolarHBondContact O-N 3.34Å
112	D	95.3	Very high	91.4	Very high	7 Å²	7	52.9 Å²	52.9	4%	0.037	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	125	177.5	-168.3	-22.6	0	0	0	111.3	G96 F114 Y141 L179 R182	G96-D112 WeakPolarHBondContact O-CB 3.46Å; G96-D112 PolarHBondContact O-N 3.46Å; D112-F114 VanDerWaalsContact C-N 3.32Å; D112-F114 WeakPolarHBondContact OD1-CA 3.38Å; D112-F114 PolarHBondContact OD1-N 2.81Å; D112-Y141 HydrophobicContact CB-CD1 4.09Å; D112-Y141 HydrophobicContact CB-CE1 3.89Å; D112-L179 HydrophobicContact CB-CD2 3.83Å; D112-R182 IonicContact OD1-NH1 3.28Å; D112-R182 WeakPolarHBondContact OD2-CD 3.45Å; D112-R182 IonicContact OD2-CZ 3.49Å; D112-R182 VanDerWaalsContact OD2-CZ 3.28Å; D112-R182 IonicContact OD2-NE 3.81Å; D112-R182 PolarHBondContact OD2-NE 3.42Å; D112-R182 IonicContact OD2-NH1 2.85Å; D112-R182 PolarHBondContact OD2-NH1 2.99Å
113	I	94.7	Very high	91.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.264	C	S	.	.			trans	-87.7	-3.7	177.8	56.8	175.1	0	0	0	113.5	R55 V121 Q140 I142 F157	R55-I113 WeakPolarHBondContact CD-O 3.27Å; R55-I113 VanDerWaalsContact CG-O 3.27Å; R55-I113 WeakPolarHBondContact CG-O 3.33Å; R55-I113 PolarHBondContact NE-O 2.84Å; I113-V121 HydrophobicContact CD1-CG1 3.58Å; I113-Q140 PolarHBondContact N-O 3.37Å; I113-I142 HydrophobicContact CG2-CD1 3.19Å; I113-I142 HydrophobicContact CG2-CG1 3.51Å; I113-F157 HydrophobicContact CG2-CD2 4.24Å
114	F	95.9	Very high	91.8	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.009	25%	0.253	C	S	.	.			trans	54	65.3	-179.8	-158	-97.7	0	0	0	113.4	R55 L77 L79 D112 P116 F165 Y169 I175 I178 L179	R55-F114 PolarHBondContact NE-O 2.84Å; R55-F114 PolarHBondContact NH2-O 2.89Å; L77-F114 HydrophobicContact CD2-CB 3.74Å; L79-F114 HydrophobicContact CD2-CB 4.44Å; D112-F114 VanDerWaalsContact C-N 3.32Å; D112-F114 WeakPolarHBondContact OD1-CA 3.38Å; D112-F114 PolarHBondContact OD1-N 2.81Å; F114-P116 HydrophobicContact CD1-CG 4.3Å; F114-P116 HydrophobicContact CE1-CG 3.88Å; F114-P116 HydrophobicContact CZ-CG 4.02Å; F114-P116 VanDerWaalsContact O-CD 3.28Å; F114-P116 WeakPolarHBondContact O-CD 3.27Å; F114-F165 HydrophobicContact CD1-CE2 4.21Å; F114-F165 AromaticContact CD1-CZ 3.86Å; F114-F165 HydrophobicContact CD1-CZ 3.86Å; F114-F165 AromaticContact CE1-CE2 3.99Å; F114-F165 HydrophobicContact CE1-CE2 3.99Å; F114-F165 AromaticContact CE1-CZ 3.67Å; F114-F165 HydrophobicContact CE1-CZ 3.67Å; F114-Y169 HydrophobicContact CE1-CD1 4.39Å; F114-Y169 HydrophobicContact CE1-CD2 4.15Å; F114-Y169 HydrophobicContact CE1-CE1 4.27Å; F114-Y169 HydrophobicContact CE1-CE2 4.03Å; F114-Y169 HydrophobicContact CE1-CG 4.33Å; F114-Y169 HydrophobicContact CZ-CD1 4.12Å; F114-Y169 HydrophobicContact CZ-CD2 4.49Å; F114-Y169 AromaticContact CZ-CE1 3.69Å; F114-Y169 HydrophobicContact CZ-CE1 3.69Å; F114-Y169 HydrophobicContact CZ-CE2 4.12Å; F114-Y169 HydrophobicContact CZ-CG 4.5Å; F114-Y169 AromaticContact CZ-CZ 3.69Å; F114-I175 HydrophobicContact CD1-CB 4.47Å; F114-I175 HydrophobicContact CD1-CD1 4.36Å; F114-I175 HydrophobicContact CD1-CG1 4.34Å; F114-I175 HydrophobicContact CD1-CG2 3.48Å; F114-I175 VanDerWaalsContact CD1-CG2 3.48Å; F114-I175 HydrophobicContact CD2-CG2 3.79Å; F114-I175 HydrophobicContact CE1-CB 3.98Å; F114-I175 HydrophobicContact CE1-CD1 3.83Å; F114-I175 HydrophobicContact CE1-CG1 3.53Å; F114-I175 HydrophobicContact CE1-CG2 3.45Å; F114-I175 VanDerWaalsContact CE1-CG2 3.45Å; F114-I175 HydrophobicContact CE2-CB 4.4Å; F114-I175 HydrophobicContact CE2-CG2 3.75Å; F114-I175 HydrophobicContact CG-CG2 3.66Å; F114-I175 HydrophobicContact CZ-CB 3.92Å; F114-I175 HydrophobicContact CZ-CD1 4.49Å; F114-I175 HydrophobicContact CZ-CG1 3.7Å; F114-I175 HydrophobicContact CZ-CG2 3.57Å; F114-I178 HydrophobicContact CE2-CB 4.28Å; F114-I178 HydrophobicContact CE2-CD1 4.14Å; F114-I178 HydrophobicContact CE2-CG2 4.08Å; F114-I178 HydrophobicContact CZ-CD1 4.31Å; F114-L179 HydrophobicContact CB-CD2 4.36Å; F114-L179 HydrophobicContact CD2-CD2 4.18Å; F114-L179 HydrophobicContact CD2-CG 4.32Å
115	C	94.9	Very high	91.8	Very high	15 Å²	15	40 Å²	40	10%	0.101	23%	0.225	C	C	.	.			trans	-112.3	58.1	170.1	-62.5	0	0	0	0	112.1	N117 A118 V121 C159	C115-N117 PolarHBondContact O-N 2.81Å; C115-A118 HydrophobicContact CB-CB 3.89Å; C115-A118 PolarHBondContact O-N 2.87Å; C115-V121 HydrophobicContact CB-CG2 3.78Å; C115-C159 VanDerWaalsContact CA-SG 3.53Å; C115-C159 HydrophobicContact CB-CB 3.66Å; C115-C159 WeakPolarHBondContact CB-SG 3.49Å; C115-C159 WeakPolarHBondContact SG-CB 3.37Å; C115-C159 CovalentContact SG-SG 2.03Å; C115-C159 PolarHBondContact SG-SG 3.33Å
116	P	93.4	Very high	91.3	Very high	28 Å²	28	39.7 Å²	39.7	18%	0.182	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	116.8	-172	29	-36.5	0	0	0	112.4	F114 A118 F161 Y169	F114-P116 HydrophobicContact CD1-CG 4.3Å; F114-P116 HydrophobicContact CE1-CG 3.88Å; F114-P116 HydrophobicContact CZ-CG 4.02Å; F114-P116 VanDerWaalsContact O-CD 3.28Å; F114-P116 WeakPolarHBondContact O-CD 3.27Å; P116-A118 PolarHBondContact O-N 2.86Å; P116-F161 HydrophobicContact CG-CE1 4.45Å; P116-F161 VanDerWaalsContact O-CE1 3.28Å; P116-F161 WeakPolarHBondContact O-CE1 3.35Å; P116-Y169 HydrophobicContact CB-CE2 4.47Å; P116-Y169 HydrophobicContact CG-CE2 3.49Å; P116-Y169 VanDerWaalsContact CG-CE2 3.49Å; P116-Y169 WeakPolarHBondContact CG-OH 3.38Å
117	N	89.5	Confident	90.7	Very high	133 Å²	133	42.4 Å²	42.4	71%	0.711	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.1	28	-177.3	-49.5	-18	0	0	0	113.5	C115 K168	C115-N117 PolarHBondContact O-N 2.81Å; N117-K168 PolarHBondContact ND2-NZ 2.98Å
118	A	92.2	Very high	89.5	Confident	24 Å²	24	46.7 Å²	46.7	20%	0.198	25%	0.245	C	C	.	.			trans	-67	136.7	167.6	0	0	0	0	0	109.3	C115 P116 T120 V121 C159 K160 F161	C115-A118 HydrophobicContact CB-CB 3.89Å; C115-A118 PolarHBondContact O-N 2.87Å; P116-A118 PolarHBondContact O-N 2.86Å; A118-T120 VanDerWaalsContact C-N 3.31Å; A118-V121 HydrophobicContact CB-CG2 4.35Å; A118-C159 HydrophobicContact CB-CB 3.94Å; A118-K160 CarbonylContact C-O 3.57Å; A118-K160 VanDerWaalsContact CA-O 3.31Å; A118-K160 WeakPolarHBondContact CA-O 3.48Å; A118-K160 WeakPolarHBondContact CB-O 3.29Å; A118-F161 HydrophobicContact CB-CD1 4.02Å; A118-F161 HydrophobicContact CB-CE1 3.73Å; A118-F161 HydrophobicContact CB-CZ 4.25Å
119	H	88.5	Confident	88.8	Confident	86 Å²	86	53.2 Å²	53.2	40%	0.398	28%	0.275	S	S	.	.	S	Bend	trans	-77.8	-22.2	175.3	63.1	-101.3	0	0	0	111.7	K160 N162	H119-K160 WeakPolarHBondContact CE1-CG 3.36Å; H119-K160 PolarHBondContact N-O 3.07Å; H119-K160 PolarHBondContact ND1-O 2.84Å; H119-K160 WeakPolarHBondContact NE2-CD 3.26Å; H119-K160 WeakPolarHBondContact NE2-CG 3.3Å; H119-N162 PolarHBondContact ND1-OD1 3.03Å
120	T	90.7	Very high	88.6	Confident	65 Å²	65	53.2 Å²	53.2	40%	0.399	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	137	176	-59.6	0	0	0	0	110.3	A118 F122 K160	A118-T120 VanDerWaalsContact C-N 3.31Å; T120-F122 HydrophobicContact CG2-CD1 4.43Å; T120-K160 PolarHBondContact O-N 2.9Å
121	V	92.9	Very high	88.3	Confident	23 Å²	23	55 Å²	55	14%	0.139	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	133.6	168.4	179.6	0	0	0	0	106.9	I113 C115 A118 G158	I113-V121 HydrophobicContact CD1-CG1 3.58Å; C115-V121 HydrophobicContact CB-CG2 3.78Å; A118-V121 HydrophobicContact CB-CG2 4.35Å; V121-G158 WeakPolarHBondContact CA-O 3.36Å
122	F	90.9	Very high	88.1	Confident	72 Å²	72	55.7 Å²	55.7	32%	0.316	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	159.2	-177.1	60.6	-86.7	0	0	0	111	F54 T120 S124 F157 G158	F54-F122 HydrophobicContact CE1-CE2 4.32Å; F54-F122 HydrophobicContact CE1-CZ 4.26Å; T120-F122 HydrophobicContact CG2-CD1 4.43Å; F122-S124 PolarHBondContact O-N 3.24Å; F122-F157 CarbonylContact O-C 3.53Å; F122-F157 WeakPolarHBondContact O-CA 3.12Å; F122-G158 WeakPolarHBondContact CD1-O 3.11Å; F122-G158 PolarHBondContact N-O 3.24Å; F122-G158 PolarHBondContact O-N 2.92Å
123	H	90.3	Very high	87.9	Confident	44 Å²	44	55.8 Å²	55.8	20%	0.204	30%	0.295	C	S	.	.			trans	-76.3	118.9	167.6	-60	-61.6	0	0	0	109	F126 Q135 H137 F157	H123-F126 HydrophobicContact CB-CD1 4.23Å; H123-F126 HydrophobicContact CB-CD2 4.47Å; H123-F126 HydrophobicContact CB-CE1 3.54Å; H123-F126 HydrophobicContact CB-CE2 3.81Å; H123-F126 HydrophobicContact CB-CZ 3.31Å; H123-F126 AromaticContact CD2-CE1 3.45Å; H123-F126 VanDerWaalsContact CD2-CE1 3.45Å; H123-F126 WeakPolarHBondContact CD2-CE1 3.28Å; H123-F126 AromaticContact CD2-CZ 3.61Å; H123-F126 AromaticContact CG-CE1 3.52Å; H123-F126 AromaticContact CG-CZ 3.69Å; H123-Q135 VanDerWaalsContact CE1-CG 3.45Å; H123-Q135 WeakPolarHBondContact CE1-CG 3.06Å; H123-Q135 PolarHBondContact ND1-NE2 3.46Å; H123-H137 AromaticContact CE1-CD2 3.4Å; H123-H137 PolarHBondContact CE1-CD2 3.2Å; H123-H137 VanDerWaalsContact CE1-CD2 3.4Å; H123-H137 AromaticContact CE1-CG 3.85Å; H123-H137 AromaticContact CE1-NE2 3.65Å; H123-H137 AromaticContact ND1-CD2 3.96Å; H123-H137 AromaticContact NE2-CD2 3.79Å; H123-H137 AromaticContact NE2-CE1 3.84Å; H123-H137 AromaticContact NE2-NE2 3.55Å; H123-F157 AromaticContact CE1-CE1 3.52Å; H123-F157 AromaticContact ND1-CD1 3.67Å; H123-F157 AromaticContact ND1-CE1 3.3Å; H123-F157 VanDerWaalsContact ND1-CE1 3.3Å; H123-F157 WeakPolarHBondContact ND1-CE1 3.35Å
124	S	90.4	Very high	87.4	Confident	24 Å²	24	62.8 Å²	62.8	17%	0.168	33%	0.325	C	S	.	.	S	Bend	trans	-82.1	-34.2	177.6	64.1	0	0	0	0	111.6	E83 F122 Y156 F157	E83-S124 VanDerWaalsContact OE1-O 3.06Å; F122-S124 PolarHBondContact O-N 3.24Å; S124-Y156 PolarHBondContact N-O 3.22Å; S124-Y156 WeakPolarHBondContact OG-CB 3.42Å; S124-F157 PolarHBondContact OG-N 2.68Å
125	A	87.1	Confident	86.2	Confident	36 Å²	36	64.7 Å²	64.7	30%	0.298	33%	0.334	S	S	.	.	S	Bend	trans	-142.1	152	172.1	0	0	0	0	0	110.4	Y156	A125-Y156 HydrophobicContact CB-CD2 4.11Å; A125-Y156 HydrophobicContact CB-CG 3.93Å
126	F	76.6	Confident	85	Confident	123 Å²	123	69.7 Å²	69.7	54%	0.539	35%	0.352	S	S	.	.			trans	-113.5	125.1	177.5	-66.9	-85.3	0	0	0	110	H123 L128 Q135	H123-F126 HydrophobicContact CB-CD1 4.23Å; H123-F126 HydrophobicContact CB-CD2 4.47Å; H123-F126 HydrophobicContact CB-CE1 3.54Å; H123-F126 HydrophobicContact CB-CE2 3.81Å; H123-F126 HydrophobicContact CB-CZ 3.31Å; H123-F126 AromaticContact CD2-CE1 3.45Å; H123-F126 VanDerWaalsContact CD2-CE1 3.45Å; H123-F126 WeakPolarHBondContact CD2-CE1 3.28Å; H123-F126 AromaticContact CD2-CZ 3.61Å; H123-F126 AromaticContact CG-CE1 3.52Å; H123-F126 AromaticContact CG-CZ 3.69Å; F126-L128 HydrophobicContact CB-CD2 4.36Å; F126-L128 HydrophobicContact CB-CG 4.12Å; F126-L128 PolarHBondContact O-N 3.09Å; F126-L128 VanDerWaalsContact O-N 3.11Å; F126-Q135 VanDerWaalsContact CD1-OE1 3.31Å
127	E	74.3	Confident	83.9	Confident	72 Å²	72	71.2 Å²	71.2	34%	0.336	36%	0.356	S	S	.	.			trans	-81.5	80.8	159.3	-165.2	178.6	172.9	0	0	107.3	R66 F129 H130	R66-E127 IonicContact CZ-OE1 2.72Å; R66-E127 VanDerWaalsContact CZ-OE1 3.27Å; R66-E127 IonicContact NE-OE1 2.62Å; R66-E127 PolarHBondContact NE-OE1 3.35Å; R66-E127 IonicContact NH2-OE1 3.27Å; R66-E127 PolarHBondContact NH2-OE1 3.48Å; E127-F129 PolarHBondContact O-N 3.19Å; E127-H130 PolarHBondContact O-N 2.7Å; E127-H130 IonicContact OE1-CD2 3.74Å; E127-H130 IonicContact OE2-CD2 3.82Å
128	L	67.6	Low	83.3	Confident	136 Å²	136	69.5 Å²	69.5	71%	0.712	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-23.2	-168.1	-75.9	153.3	0	0	0	115.1	F126	F126-L128 HydrophobicContact CB-CD2 4.36Å; F126-L128 HydrophobicContact CB-CG 4.12Å; F126-L128 PolarHBondContact O-N 3.09Å; F126-L128 VanDerWaalsContact O-N 3.11Å
129	F	76.8	Confident	82.5	Confident	177 Å²	177	77.6 Å²	77.6	78%	0.776	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.4	43.3	-170.9	-54	-72.3	0	0	0	113.3	E127 P131	E127-F129 PolarHBondContact O-N 3.19Å; F129-P131 WeakPolarHBondContact O-CD 3.22Å
130	H	89.1	Confident	82.4	Confident	18 Å²	18	79.4 Å²	79.4	8%	0.083	38%	0.383	C	S	.	.			trans	-67.2	120.3	169.3	-166.8	-74.4	0	0	0	109.7	R66 E127 S132 C133 T152	R66-H130 PolarHBondContact O-CE1 2.76Å; R66-H130 PolarHBondContact O-NE2 3.35Å; E127-H130 PolarHBondContact O-N 2.7Å; E127-H130 IonicContact OE1-CD2 3.74Å; E127-H130 IonicContact OE2-CD2 3.82Å; H130-S132 PolarHBondContact ND1-N 3.22Å; H130-S132 PolarHBondContact O-N 3.11Å; H130-S132 VanDerWaalsContact O-N 3.09Å; H130-C133 HydrophobicContact CB-CB 4.19Å; H130-C133 VanDerWaalsContact ND1-CB 3.28Å; H130-C133 WeakPolarHBondContact ND1-CB 3.33Å; H130-C133 PolarHBondContact ND1-N 2.69Å; H130-T152 PolarHBondContact NE2-O 2.92Å
131	P	88.8	Confident	82.4	Confident	69 Å²	69	78.6 Å²	78.6	45%	0.448	37%	0.373	S	S	.	.	S	Bend	trans	-68.4	-17.3	-167.9	27	-35.8	0	0	0	114	R66 K67 F129	R66-P131 HydrophobicContact CB-CG 4.34Å; R66-P131 WeakPolarHBondContact O-CG 3.44Å; K67-P131 HydrophobicContact CG-CB 4.15Å; K67-P131 HydrophobicContact CG-CG 3.76Å; F129-P131 WeakPolarHBondContact O-CD 3.22Å
132	S	91.3	Very high	82.4	Confident	16 Å²	16	77.6 Å²	77.6	11%	0.112	37%	0.367	C	S	.	.	S	Bend	trans	-129	-6.1	-173.1	-58.8	0	0	0	0	114.9	K67 H130 C148 S151	K67-S132 VanDerWaalsContact C-OG 3.29Å; K67-S132 WeakPolarHBondContact CA-OG 3.48Å; K67-S132 WeakPolarHBondContact O-CB 3.26Å; K67-S132 PolarHBondContact O-OG 3.34Å; H130-S132 PolarHBondContact ND1-N 3.22Å; H130-S132 PolarHBondContact O-N 3.11Å; H130-S132 VanDerWaalsContact O-N 3.09Å; S132-C148 WeakPolarHBondContact O-CA 3.31Å; S132-C148 WeakPolarHBondContact O-CB 3.31Å; S132-C148 PolarHBondContact O-N 2.79Å; S132-S151 WeakPolarHBondContact CB-OG 3.44Å
133	C	90.9	Very high	82.4	Confident	9 Å²	9	76.1 Å²	76.1	6%	0.061	36%	0.359	C	S	.	.			trans	-127.1	129.9	-173.2	-69.6	0	0	0	0	109	H130 C148 A153 F155	H130-C133 HydrophobicContact CB-CB 4.19Å; H130-C133 VanDerWaalsContact ND1-CB 3.28Å; H130-C133 WeakPolarHBondContact ND1-CB 3.33Å; H130-C133 PolarHBondContact ND1-N 2.69Å; C133-C148 VanDerWaalsContact CA-SG 3.57Å; C133-C148 HydrophobicContact CB-CB 3.95Å; C133-C148 WeakPolarHBondContact CB-SG 3.2Å; C133-C148 WeakPolarHBondContact SG-CA 3.15Å; C133-C148 WeakPolarHBondContact SG-CB 3.31Å; C133-C148 CovalentContact SG-SG 2.04Å; C133-C148 PolarHBondContact SG-SG 3.38Å; C133-A153 HydrophobicContact CB-CB 4.36Å; C133-F155 HydrophobicContact CB-CE1 4.07Å; C133-F155 HydrophobicContact CB-CZ 3.87Å
134	F	82.8	Confident	82.5	Confident	146 Å²	146	74.4 Å²	74.4	64%	0.64	35%	0.35	S	S	*	.			trans	-103.2	143.3	167	-63.5	-81.6	0	0	0	108	Y136	F134-Y136 HydrophobicContact CB-CD2 3.81Å; F134-Y136 HydrophobicContact CB-CE2 3.27Å; F134-Y136 HydrophobicContact CD2-CE2 4.46Å; F134-Y136 HydrophobicContact CG-CE2 4.09Å; F134-Y136 PolarHBondContact O-N 3.35Å; F134-Y136 VanDerWaalsContact O-N 3.16Å
135	Q	72.4	Confident	82.6	Confident	42 Å²	42	74.2 Å²	74.2	20%	0.196	35%	0.349	C	S	.	.			trans	-85.5	90.9	-177.9	-163.3	172.9	7.5	0	0	109.5	H123 F126 F155 Y156 F157	H123-Q135 VanDerWaalsContact CE1-CG 3.45Å; H123-Q135 WeakPolarHBondContact CE1-CG 3.06Å; H123-Q135 PolarHBondContact ND1-NE2 3.46Å; F126-Q135 VanDerWaalsContact CD1-OE1 3.31Å; Q135-F155 HydrophobicContact CB-CD1 4.36Å; Q135-F155 HydrophobicContact CG-CD1 3.93Å; Q135-Y156 PolarHBondContact NE2-O 2.83Å; Q135-F157 HydrophobicContact CG-CE1 4.31Å; Q135-F157 HydrophobicContact CG-CZ 4.05Å
136	Y	69.9	Low	82.8	Confident	121 Å²	121	77.3 Å²	77.3	48%	0.475	36%	0.361	S	S	.	.			trans	-106	124.3	172.5	-62.2	-68.2	0	0	0	110.3	F134 W143	F134-Y136 HydrophobicContact CB-CD2 3.81Å; F134-Y136 HydrophobicContact CB-CE2 3.27Å; F134-Y136 HydrophobicContact CD2-CE2 4.46Å; F134-Y136 HydrophobicContact CG-CE2 4.09Å; F134-Y136 PolarHBondContact O-N 3.35Å; F134-Y136 VanDerWaalsContact O-N 3.16Å; Y136-W143 AromaticContact CD2-CH2 3.89Å; Y136-W143 HydrophobicContact CD2-CH2 3.89Å; Y136-W143 AromaticContact CD2-CZ2 3.86Å; Y136-W143 HydrophobicContact CD2-CZ2 3.86Å; Y136-W143 HydrophobicContact CE2-CH2 4.39Å; Y136-W143 HydrophobicContact CG-CH2 4.38Å; Y136-W143 AromaticContact CG-CZ2 3.87Å; Y136-W143 HydrophobicContact CG-CZ2 3.87Å
137	H	68.4	Low	83.6	Confident	59 Å²	59	79.4 Å²	79.4	27%	0.273	37%	0.365	S	S	.	.	B	Isolated β-bridge	trans	-122	147.9	168.9	66	15.8	0	0	0	110.8	H123 Y141 I142 F157	H123-H137 AromaticContact CE1-CD2 3.4Å; H123-H137 PolarHBondContact CE1-CD2 3.2Å; H123-H137 VanDerWaalsContact CE1-CD2 3.4Å; H123-H137 AromaticContact CE1-CG 3.85Å; H123-H137 AromaticContact CE1-NE2 3.65Å; H123-H137 AromaticContact ND1-CD2 3.96Å; H123-H137 AromaticContact NE2-CD2 3.79Å; H123-H137 AromaticContact NE2-CE1 3.84Å; H123-H137 AromaticContact NE2-NE2 3.55Å; H137-Y141 WeakPolarHBondContact CA-O 2.87Å; H137-I142 HydrophobicContact CB-CG1 4.43Å; H137-F157 HydrophobicContact CB-CE1 3.98Å; H137-F157 AromaticContact CD2-CD1 3.72Å; H137-F157 AromaticContact CD2-CE1 3.67Å
138	N	77.2	Confident	84.5	Confident	97 Å²	97	76.3 Å²	76.3	52%	0.519	35%	0.352	S	S	.	.			trans	-102.3	171.4	152.9	-70.5	-35.1	0	0	0	107.9	Q140 Y141	N138-Q140 PolarHBondContact O-N 3.13Å; N138-Y141 PolarHBondContact N-O 3.11Å; N138-Y141 PolarHBondContact O-N 3.24Å
139	Y	75	Confident	85.8	Confident	195 Å²	195	70.4 Å²	70.4	77%	0.765	32%	0.32	S	S	*	.	S	Bend	trans	-49.6	-23.8	-177.8	-69.3	-78.3	0	0	0	115.6
140	Q	86.5	Confident	86.7	Confident	123 Å²	123	63.7 Å²	63.7	58%	0.575	29%	0.293	S	S	*	.	S	Bend	trans	-118.5	-25	-176.4	-64.3	-179.4	2.9	0	0	114.8	I113 N138	I113-Q140 PolarHBondContact N-O 3.37Å; N138-Q140 PolarHBondContact O-N 3.13Å
141	Y	91.9	Very high	87	Confident	49 Å²	49	62.9 Å²	62.9	19%	0.192	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	143.4	-168.5	-59.7	-81.2	0	0	0	111.4	F98 C111 D112 H137 N138	F98-Y141 HydrophobicContact CE1-CD1 4.06Å; F98-Y141 AromaticContact CE1-CE1 3.62Å; F98-Y141 HydrophobicContact CE1-CE1 3.62Å; F98-Y141 HydrophobicContact CZ-CE1 4.33Å; C111-Y141 WeakPolarHBondContact O-CA 3.36Å; D112-Y141 HydrophobicContact CB-CD1 4.09Å; D112-Y141 HydrophobicContact CB-CE1 3.89Å; H137-Y141 WeakPolarHBondContact CA-O 2.87Å; N138-Y141 PolarHBondContact N-O 3.11Å; N138-Y141 PolarHBondContact O-N 3.24Å
142	I	92.1	Very high	87.3	Confident	2 Å²	2	60.9 Å²	60.9	1%	0.01	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	138.8	156.4	-62	154.5	0	0	0	106.9	L57 Y110 C111 I113 H137 R144 F155 F157	L57-I142 HydrophobicContact CB-CD1 3.9Å; L57-I142 HydrophobicContact CD2-CB 4.25Å; L57-I142 HydrophobicContact CD2-CD1 3.65Å; L57-I142 HydrophobicContact CD2-CG2 4.28Å; L57-I142 HydrophobicContact CG-CD1 4.39Å; Y110-I142 CarbonylContact C-O 3.57Å; Y110-I142 WeakPolarHBondContact CA-O 3.42Å; C111-I142 PolarHBondContact N-O 2.97Å; C111-I142 PolarHBondContact O-N 3.34Å; I113-I142 HydrophobicContact CG2-CD1 3.19Å; I113-I142 HydrophobicContact CG2-CG1 3.51Å; H137-I142 HydrophobicContact CB-CG1 4.43Å; I142-R144 HydrophobicContact CG2-CG 4.48Å; I142-F155 HydrophobicContact CD1-CB 4.25Å; I142-F157 HydrophobicContact CD1-CD2 3.73Å; I142-F157 HydrophobicContact CD1-CE1 4.16Å; I142-F157 HydrophobicContact CD1-CE2 2.98Å; I142-F157 HydrophobicContact CD1-CZ 3.22Å; I142-F157 HydrophobicContact CG1-CD2 4.47Å; I142-F157 HydrophobicContact CG1-CE1 3.94Å; I142-F157 HydrophobicContact CG1-CE2 3.7Å; I142-F157 HydrophobicContact CG1-CZ 3.35Å
143	W	91.4	Very high	87.4	Confident	41 Å²	41	60.2 Å²	60.2	16%	0.155	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	147.5	170.9	64.7	-91.4	0	0	0	111.4	R108 V109 Y110 Y136	R108-W143 HydrophobicContact CG-CE3 4Å; R108-W143 HydrophobicContact CG-CZ3 4.46Å; V109-W143 CarbonylContact O-C 3.48Å; V109-W143 VanDerWaalsContact O-CA 3.23Å; V109-W143 WeakPolarHBondContact O-CA 3.25Å; Y110-W143 HydrophobicContact CD1-CB 3.43Å; Y110-W143 VanDerWaalsContact CD1-CB 3.43Å; Y110-W143 HydrophobicContact CD1-CG 4.26Å; Y110-W143 HydrophobicContact CE1-CB 3.49Å; Y110-W143 VanDerWaalsContact CE1-CB 3.49Å; Y110-W143 AromaticContact CE1-CG 3.91Å; Y110-W143 HydrophobicContact CE1-CG 3.91Å; Y110-W143 HydrophobicContact CG-CB 4.09Å; Y136-W143 AromaticContact CD2-CH2 3.89Å; Y136-W143 HydrophobicContact CD2-CH2 3.89Å; Y136-W143 AromaticContact CD2-CZ2 3.86Å; Y136-W143 HydrophobicContact CD2-CZ2 3.86Å; Y136-W143 HydrophobicContact CE2-CH2 4.39Å; Y136-W143 HydrophobicContact CG-CH2 4.38Å; Y136-W143 AromaticContact CG-CZ2 3.87Å; Y136-W143 HydrophobicContact CG-CZ2 3.87Å
144	R	92.7	Very high	87.6	Confident	7 Å²	7	61 Å²	61	3%	0.026	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	146	-179.6	-63.5	167.4	60.6	-150.9	6.3	109	C59 S73 C75 R108 V109 I142 C148 L149 S151 F155	C59-R144 VanDerWaalsContact CB-NH1 3.29Å; C59-R144 PolarHBondContact SG-NH1 3.28Å; S73-R144 VanDerWaalsContact OG-CZ 3.23Å; S73-R144 PolarHBondContact OG-NH1 3.01Å; S73-R144 PolarHBondContact OG-NH2 3.31Å; C75-R144 PolarHBondContact SG-NH1 2.97Å; R108-R144 VanDerWaalsContact CA-O 3.3Å; R108-R144 WeakPolarHBondContact CA-O 3.36Å; V109-R144 PolarHBondContact N-O 2.89Å; V109-R144 PolarHBondContact O-N 3.28Å; I142-R144 HydrophobicContact CG2-CG 4.48Å; R144-C148 HydrophobicContact CB-CB 4.43Å; R144-C148 PolarHBondContact NE-SG 3.37Å; R144-C148 VanDerWaalsContact NE-SG 3.4Å; R144-C148 PolarHBondContact NH2-O 3.13Å; R144-L149 HydrophobicContact CB-CD2 3.73Å; R144-L149 WeakPolarHBondContact O-CD2 3.35Å; R144-S151 PolarHBondContact NH2-O 2.97Å; R144-F155 HydrophobicContact CG-CE2 4.25Å; R144-F155 HydrophobicContact CG-CZ 4.17Å
145	S	92.3	Very high	88.2	Confident	21 Å²	21	54.6 Å²	54.6	15%	0.147	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	169	177.6	65.1	0	0	0	0	111.4	C148	S145-C148 WeakPolarHBondContact O-CB 3.5Å; S145-C148 PolarHBondContact O-N 3.28Å
146	D	91.4	Very high	89.2	Confident	100 Å²	100	55.8 Å²	55.8	54%	0.535	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	53.2	-138.9	167.8	-45.1	-56.1	0	0	0	112.6	C148 L149	D146-C148 PolarHBondContact O-N 3.27Å; D146-L149 WeakPolarHBondContact O-CB 3.24Å; D146-L149 PolarHBondContact O-N 3.04Å
147	R	93.2	Very high	90.3	Very high	167 Å²	167	50 Å²	50	63%	0.63	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-54.3	-25.2	178.1	-69.9	-173.3	-90	-178.8	-6.9	113.4	L149 N150 S151	R147-L149 VanDerWaalsContact C-N 3.3Å; R147-L149 PolarHBondContact O-N 2.66Å; R147-N150 PolarHBondContact O-N 3.5Å; R147-S151 PolarHBondContact O-OG 3.39Å
148	C	93.5	Very high	91.5	Very high	8 Å²	8	47.2 Å²	47.2	5%	0.054	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-63.3	-39.7	176.6	-174.7	0	0	0	0	111	S132 C133 R144 S145 D146 N150 S151	S132-C148 WeakPolarHBondContact O-CA 3.31Å; S132-C148 WeakPolarHBondContact O-CB 3.31Å; S132-C148 PolarHBondContact O-N 2.79Å; C133-C148 VanDerWaalsContact CA-SG 3.57Å; C133-C148 HydrophobicContact CB-CB 3.95Å; C133-C148 WeakPolarHBondContact CB-SG 3.2Å; C133-C148 WeakPolarHBondContact SG-CA 3.15Å; C133-C148 WeakPolarHBondContact SG-CB 3.31Å; C133-C148 CovalentContact SG-SG 2.04Å; C133-C148 PolarHBondContact SG-SG 3.38Å; R144-C148 HydrophobicContact CB-CB 4.43Å; R144-C148 PolarHBondContact NE-SG 3.37Å; R144-C148 VanDerWaalsContact NE-SG 3.4Å; R144-C148 PolarHBondContact NH2-O 3.13Å; S145-C148 WeakPolarHBondContact O-CB 3.5Å; S145-C148 PolarHBondContact O-N 3.28Å; D146-C148 PolarHBondContact O-N 3.27Å; C148-N150 PolarHBondContact O-N 2.93Å; C148-S151 PolarHBondContact O-N 3.41Å
149	L	94.4	Very high	92.3	Very high	11 Å²	11	42.6 Å²	42.6	6%	0.058	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-32.6	-178	-68.8	177.5	0	0	0	113	L72 S73 V109 R144 D146 R147 S151	L72-L149 HydrophobicContact CD2-CB 3.68Å; L72-L149 HydrophobicContact CD2-CD1 4.34Å; S73-L149 WeakPolarHBondContact CB-O 3.37Å; S73-L149 PolarHBondContact N-O 2.88Å; S73-L149 PolarHBondContact OG-O 3.01Å; V109-L149 HydrophobicContact CB-CD2 3.59Å; V109-L149 HydrophobicContact CG2-CD1 4.46Å; V109-L149 HydrophobicContact CG2-CD2 3.44Å; V109-L149 VanDerWaalsContact CG2-CD2 3.44Å; R144-L149 HydrophobicContact CB-CD2 3.73Å; R144-L149 WeakPolarHBondContact O-CD2 3.35Å; D146-L149 WeakPolarHBondContact O-CB 3.24Å; D146-L149 PolarHBondContact O-N 3.04Å; R147-L149 VanDerWaalsContact C-N 3.3Å; R147-L149 PolarHBondContact O-N 2.66Å; L149-S151 VanDerWaalsContact C-N 3.31Å
150	N	95.3	Very high	93.2	Very high	37 Å²	37	36.8 Å²	36.8	20%	0.198	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	15.4	179.1	-70.2	64.9	0	0	0	112.6	T61 N68 G69 E71 R147 C148	T61-N150 WeakPolarHBondContact CG2-O 3.49Å; N68-N150 WeakPolarHBondContact OD1-CB 3.35Å; G69-N150 WeakPolarHBondContact CA-O 3.34Å; G69-N150 PolarHBondContact N-O 3.42Å; G69-N150 WeakPolarHBondContact O-CB 3.37Å; G69-N150 PolarHBondContact O-ND2 2.76Å; E71-N150 WeakPolarHBondContact O-CA 3.4Å; E71-N150 PolarHBondContact O-ND2 3.13Å; R147-N150 PolarHBondContact O-N 3.5Å; C148-N150 PolarHBondContact O-N 2.93Å
151	S	95.4	Very high	93.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	-120.4	144.6	-177.9	-60.4	0	0	0	0	112	S65 R66 K67 S73 S132 R144 R147 C148 L149 A153	S65-S151 CarbonylContact O-C 3.48Å; S65-S151 WeakPolarHBondContact O-CA 3.41Å; R66-S151 WeakPolarHBondContact O-CB 3.23Å; R66-S151 PolarHBondContact O-OG 2.67Å; K67-S151 PolarHBondContact O-OG 2.9Å; S73-S151 WeakPolarHBondContact CB-O 3.5Å; S132-S151 WeakPolarHBondContact CB-OG 3.44Å; R144-S151 PolarHBondContact NH2-O 2.97Å; R147-S151 PolarHBondContact O-OG 3.39Å; C148-S151 PolarHBondContact O-N 3.41Å; L149-S151 VanDerWaalsContact C-N 3.31Å; S151-A153 PolarHBondContact O-N 3.22Å
152	T	95.5	Very high	93.4	Very high	27 Å²	27	35.1 Å²	35.1	17%	0.166	17%	0.167	C	C	.	.			trans	-74.5	112.1	167.8	-67.5	0	0	0	0	108.7	C59 T60 T61 Q64 S65 H130	C59-T152 CarbonylContact O-C 3.57Å; C59-T152 VanDerWaalsContact O-CA 3.23Å; C59-T152 WeakPolarHBondContact O-CA 3.34Å; T60-T152 HydrophobicContact CG2-CG2 4.36Å; T61-T152 PolarHBondContact N-OG1 3.36Å; T61-T152 PolarHBondContact OG1-OG1 2.8Å; Q64-T152 WeakPolarHBondContact CA-OG1 3.4Å; S65-T152 PolarHBondContact O-N 2.91Å; H130-T152 PolarHBondContact NE2-O 2.92Å
153	A	94.2	Very high	93.4	Very high	2 Å²	2	39.8 Å²	39.8	2%	0.017	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	147.4	-175.2	0	0	0	0	0	109.6	C59 C133 S151 F155	C59-A153 PolarHBondContact N-O 3Å; C59-A153 PolarHBondContact O-N 2.94Å; C59-A153 VanDerWaalsContact O-O 3.13Å; C133-A153 HydrophobicContact CB-CB 4.36Å; S151-A153 PolarHBondContact O-N 3.22Å; A153-F155 HydrophobicContact CB-CE2 3.75Å; A153-F155 HydrophobicContact CB-CZ 3.79Å
154	T	94.5	Very high	93.3	Very high	27 Å²	27	40.8 Å²	40.8	17%	0.166	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	133	173.4	-60.9	0	0	0	0	109.8	K56 L57 V58 Y156	K56-T154 HydrophobicContact CD-CG2 3.96Å; K56-T154 HydrophobicContact CG-CG2 3.39Å; L57-T154 WeakPolarHBondContact O-CA 3.28Å; V58-T154 HydrophobicContact CG2-CG2 4.21Å; T154-Y156 HydrophobicContact CG2-CD2 4.23Å; T154-Y156 HydrophobicContact CG2-CE1 4.12Å; T154-Y156 HydrophobicContact CG2-CE2 3.53Å; T154-Y156 VanDerWaalsContact CG2-CZ 3.48Å
155	F	94.1	Very high	93.4	Very high	10 Å²	10	40.9 Å²	40.9	4%	0.044	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	136.2	-178.8	-52.2	-88.2	0	0	0	110.2	K56 L57 C133 Q135 I142 R144 A153 F157	K56-F155 CarbonylContact C-O 3.51Å; K56-F155 WeakPolarHBondContact CA-O 3.38Å; L57-F155 HydrophobicContact CB-CB 4.37Å; L57-F155 HydrophobicContact CB-CD2 4.45Å; L57-F155 HydrophobicContact CD2-CD2 4.19Å; L57-F155 PolarHBondContact N-O 2.92Å; L57-F155 PolarHBondContact O-N 3.35Å; C133-F155 HydrophobicContact CB-CE1 4.07Å; C133-F155 HydrophobicContact CB-CZ 3.87Å; Q135-F155 HydrophobicContact CB-CD1 4.36Å; Q135-F155 HydrophobicContact CG-CD1 3.93Å; I142-F155 HydrophobicContact CD1-CB 4.25Å; R144-F155 HydrophobicContact CG-CE2 4.25Å; R144-F155 HydrophobicContact CG-CZ 4.17Å; A153-F155 HydrophobicContact CB-CE2 3.75Å; A153-F155 HydrophobicContact CB-CZ 3.79Å; F155-F157 VanDerWaalsContact C-CE2 3.45Å; F155-F157 HydrophobicContact CB-CD2 4.47Å; F155-F157 HydrophobicContact CB-CE2 3.3Å; F155-F157 HydrophobicContact CB-CZ 3.68Å
156	Y	93.7	Very high	93.4	Very high	68 Å²	68	43.6 Å²	43.6	27%	0.267	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	133.5	-172.9	-58.5	-97.3	0	0	0	111.6	R55 K56 S124 A125 Q135 T154	R55-Y156 WeakPolarHBondContact O-CA 3.29Å; K56-Y156 HydrophobicContact CB-CD1 4.32Å; K56-Y156 HydrophobicContact CD-CE1 3.99Å; K56-Y156 HydrophobicContact CG-CD1 4.08Å; K56-Y156 HydrophobicContact CG-CE1 3.86Å; S124-Y156 PolarHBondContact N-O 3.22Å; S124-Y156 WeakPolarHBondContact OG-CB 3.42Å; A125-Y156 HydrophobicContact CB-CD2 4.11Å; A125-Y156 HydrophobicContact CB-CG 3.93Å; Q135-Y156 PolarHBondContact NE2-O 2.83Å; T154-Y156 HydrophobicContact CG2-CD2 4.23Å; T154-Y156 HydrophobicContact CG2-CE1 4.12Å; T154-Y156 HydrophobicContact CG2-CE2 3.53Å; T154-Y156 VanDerWaalsContact CG2-CZ 3.48Å
157	F	92.8	Very high	93.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	151.9	-176.3	-52.2	-91.6	0	0	0	111.8	F54 R55 I113 F122 H123 S124 Q135 H137 I142 F155	F54-F157 CarbonylContact C-O 3.48Å; F54-F157 WeakPolarHBondContact CA-O 3.14Å; R55-F157 HydrophobicContact CB-CB 4.3Å; R55-F157 PolarHBondContact N-O 2.86Å; R55-F157 PolarHBondContact O-N 3.33Å; I113-F157 HydrophobicContact CG2-CD2 4.24Å; F122-F157 CarbonylContact O-C 3.53Å; F122-F157 WeakPolarHBondContact O-CA 3.12Å; H123-F157 AromaticContact CE1-CE1 3.52Å; H123-F157 AromaticContact ND1-CD1 3.67Å; H123-F157 AromaticContact ND1-CE1 3.3Å; H123-F157 VanDerWaalsContact ND1-CE1 3.3Å; H123-F157 WeakPolarHBondContact ND1-CE1 3.35Å; S124-F157 PolarHBondContact OG-N 2.68Å; Q135-F157 HydrophobicContact CG-CE1 4.31Å; Q135-F157 HydrophobicContact CG-CZ 4.05Å; H137-F157 HydrophobicContact CB-CE1 3.98Å; H137-F157 AromaticContact CD2-CD1 3.72Å; H137-F157 AromaticContact CD2-CE1 3.67Å; I142-F157 HydrophobicContact CD1-CD2 3.73Å; I142-F157 HydrophobicContact CD1-CE1 4.16Å; I142-F157 HydrophobicContact CD1-CE2 2.98Å; I142-F157 HydrophobicContact CD1-CZ 3.22Å; I142-F157 HydrophobicContact CG1-CD2 4.47Å; I142-F157 HydrophobicContact CG1-CE1 3.94Å; I142-F157 HydrophobicContact CG1-CE2 3.7Å; I142-F157 HydrophobicContact CG1-CZ 3.35Å; F155-F157 VanDerWaalsContact C-CE2 3.45Å; F155-F157 HydrophobicContact CB-CD2 4.47Å; F155-F157 HydrophobicContact CB-CE2 3.3Å; F155-F157 HydrophobicContact CB-CZ 3.68Å
158	G	94.2	Very high	93.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	143.4	164.3	0	0	0	0	0	111.4	Q53 V121 F122	Q53-G158 CarbonylContact O-C 3.57Å; Q53-G158 VanDerWaalsContact O-CA 3.27Å; Q53-G158 WeakPolarHBondContact O-CA 3.35Å; V121-G158 WeakPolarHBondContact CA-O 3.36Å; F122-G158 WeakPolarHBondContact CD1-O 3.11Å; F122-G158 PolarHBondContact N-O 3.24Å; F122-G158 PolarHBondContact O-N 2.92Å
159	C	94.5	Very high	93.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	128.2	167.8	-36.5	0	0	0	0	107.9	P52 Q53 C115 A118 F161	P52-C159 CarbonylContact C-O 3.54Å; P52-C159 WeakPolarHBondContact CA-O 3.16Å; Q53-C159 PolarHBondContact N-O 3.42Å; Q53-C159 PolarHBondContact O-N 3.4Å; C115-C159 VanDerWaalsContact CA-SG 3.53Å; C115-C159 HydrophobicContact CB-CB 3.66Å; C115-C159 WeakPolarHBondContact CB-SG 3.49Å; C115-C159 WeakPolarHBondContact SG-CB 3.37Å; C115-C159 CovalentContact SG-SG 2.03Å; C115-C159 PolarHBondContact SG-SG 3.33Å; A118-C159 HydrophobicContact CB-CB 3.94Å; C159-F161 HydrophobicContact CB-CD2 4.36Å; C159-F161 HydrophobicContact CB-CE1 4.42Å; C159-F161 HydrophobicContact CB-CE2 3.53Å; C159-F161 HydrophobicContact CB-CZ 3.57Å
160	K	93.4	Very high	93.3	Very high	73 Å²	73	46.6 Å²	46.6	32%	0.317	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	124.9	173.6	-158.2	176.5	161.6	175.1	0	109.9	A118 H119 T120	A118-K160 CarbonylContact C-O 3.57Å; A118-K160 VanDerWaalsContact CA-O 3.31Å; A118-K160 WeakPolarHBondContact CA-O 3.48Å; A118-K160 WeakPolarHBondContact CB-O 3.29Å; H119-K160 WeakPolarHBondContact CE1-CG 3.36Å; H119-K160 PolarHBondContact N-O 3.07Å; H119-K160 PolarHBondContact ND1-O 2.84Å; H119-K160 WeakPolarHBondContact NE2-CD 3.26Å; H119-K160 WeakPolarHBondContact NE2-CG 3.3Å; T120-K160 PolarHBondContact O-N 2.9Å
161	F	93.2	Very high	93.2	Very high	13 Å²	13	48.5 Å²	48.5	6%	0.057	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	156.5	-177.6	-60.7	-78.5	0	0	0	111.7	G50 H51 Q53 P116 A118 C159 E163 F165	G50-F161 CarbonylContact C-O 3.54Å; G50-F161 WeakPolarHBondContact CA-O 3.36Å; H51-F161 PolarHBondContact N-O 3.21Å; H51-F161 PolarHBondContact O-N 2.98Å; Q53-F161 HydrophobicContact CB-CD2 4.17Å; Q53-F161 HydrophobicContact CB-CE2 3.7Å; Q53-F161 HydrophobicContact CG-CD2 3.71Å; Q53-F161 HydrophobicContact CG-CE2 3.58Å; P116-F161 HydrophobicContact CG-CE1 4.45Å; P116-F161 VanDerWaalsContact O-CE1 3.28Å; P116-F161 WeakPolarHBondContact O-CE1 3.35Å; A118-F161 HydrophobicContact CB-CD1 4.02Å; A118-F161 HydrophobicContact CB-CE1 3.73Å; A118-F161 HydrophobicContact CB-CZ 4.25Å; C159-F161 HydrophobicContact CB-CD2 4.36Å; C159-F161 HydrophobicContact CB-CE1 4.42Å; C159-F161 HydrophobicContact CB-CE2 3.53Å; C159-F161 HydrophobicContact CB-CZ 3.57Å; F161-E163 VanDerWaalsContact C-N 3.34Å; F161-E163 WeakPolarHBondContact CB-O 3.49Å; F161-F165 HydrophobicContact CD2-CB 4.31Å; F161-F165 AromaticContact CD2-CD2 3.95Å; F161-F165 HydrophobicContact CD2-CD2 3.95Å; F161-F165 HydrophobicContact CE1-CD2 4.32Å; F161-F165 HydrophobicContact CE2-CB 4.46Å; F161-F165 AromaticContact CE2-CD2 3.41Å; F161-F165 HydrophobicContact CE2-CD2 3.41Å; F161-F165 VanDerWaalsContact CE2-CD2 3.41Å; F161-F165 AromaticContact CE2-CE2 3.97Å; F161-F165 HydrophobicContact CE2-CE2 3.97Å; F161-F165 HydrophobicContact CE2-CG 4.24Å; F161-F165 AromaticContact CZ-CD2 3.64Å; F161-F165 HydrophobicContact CZ-CD2 3.64Å; F161-F165 AromaticContact CZ-CE2 3.81Å; F161-F165 HydrophobicContact CZ-CE2 3.81Å
162	N	90.1	Very high	93.2	Very high	124 Å²	124	49.7 Å²	49.7	66%	0.663	24%	0.244	S	C	*	.	S	Bend	trans	-78.8	-20.6	175.8	-63.9	-4.5	0	0	0	112.8	H119	H119-N162 PolarHBondContact ND1-OD1 3.03Å
163	E	90.6	Very high	93.3	Very high	99 Å²	99	56.7 Å²	56.7	46%	0.463	27%	0.272	S	S	.	.	S	Bend	trans	-130.1	158.4	178	-63.4	-170.3	123.7	0	0	109.7	F161 F165 K167	F161-E163 VanDerWaalsContact C-N 3.34Å; F161-E163 WeakPolarHBondContact CB-O 3.49Å; E163-F165 PolarHBondContact O-N 3.44Å; E163-K167 HydrophobicContact CB-CD 4.38Å; E163-K167 IonicContact OE1-NZ 2.66Å; E163-K167 PolarHBondContact OE1-NZ 3.21Å
164	P	91.2	Very high	93.3	Very high	63 Å²	63	61.2 Å²	61.2	41%	0.409	29%	0.293	S	S	.	.			trans	-55.4	128.2	176	-24.5	33.4	0	0	0	110.7	H51 R166 K167	H51-P164 WeakPolarHBondContact NE2-CD 3.35Å; P164-R166 PolarHBondContact O-N 2.92Å; P164-R166 VanDerWaalsContact O-N 3.11Å; P164-K167 WeakPolarHBondContact O-CB 3.28Å; P164-K167 PolarHBondContact O-N 3.35Å
165	F	93	Very high	93.4	Very high	8 Å²	8	60 Å²	60	4%	0.035	29%	0.285	C	S	.	.	H	α-helix	trans	-55.6	-36.5	-173.8	-178.4	-106.9	0	0	0	113.6	Q53 F114 F161 E163 K167 K168 Y169 I175	Q53-F165 VanDerWaalsContact CD-CB 3.44Å; Q53-F165 HydrophobicContact CG-CB 3.43Å; Q53-F165 VanDerWaalsContact CG-CB 3.43Å; Q53-F165 HydrophobicContact CG-CD1 4.24Å; Q53-F165 HydrophobicContact CG-CD2 4.1Å; Q53-F165 HydrophobicContact CG-CG 3.68Å; Q53-F165 VanDerWaalsContact OE1-CD1 3.24Å; F114-F165 HydrophobicContact CD1-CE2 4.21Å; F114-F165 AromaticContact CD1-CZ 3.86Å; F114-F165 HydrophobicContact CD1-CZ 3.86Å; F114-F165 AromaticContact CE1-CE2 3.99Å; F114-F165 HydrophobicContact CE1-CE2 3.99Å; F114-F165 AromaticContact CE1-CZ 3.67Å; F114-F165 HydrophobicContact CE1-CZ 3.67Å; F161-F165 HydrophobicContact CD2-CB 4.31Å; F161-F165 AromaticContact CD2-CD2 3.95Å; F161-F165 HydrophobicContact CD2-CD2 3.95Å; F161-F165 HydrophobicContact CE1-CD2 4.32Å; F161-F165 HydrophobicContact CE2-CB 4.46Å; F161-F165 AromaticContact CE2-CD2 3.41Å; F161-F165 HydrophobicContact CE2-CD2 3.41Å; F161-F165 VanDerWaalsContact CE2-CD2 3.41Å; F161-F165 AromaticContact CE2-CE2 3.97Å; F161-F165 HydrophobicContact CE2-CE2 3.97Å; F161-F165 HydrophobicContact CE2-CG 4.24Å; F161-F165 AromaticContact CZ-CD2 3.64Å; F161-F165 HydrophobicContact CZ-CD2 3.64Å; F161-F165 AromaticContact CZ-CE2 3.81Å; F161-F165 HydrophobicContact CZ-CE2 3.81Å; E163-F165 PolarHBondContact O-N 3.44Å; F165-K167 VanDerWaalsContact C-N 3.25Å; F165-K167 PolarHBondContact O-N 2.72Å; F165-K168 PolarHBondContact O-N 2.91Å; F165-Y169 HydrophobicContact CD2-CD2 4.1Å; F165-Y169 AromaticContact CE2-CD2 3.65Å; F165-Y169 HydrophobicContact CE2-CD2 3.65Å; F165-Y169 HydrophobicContact CE2-CE2 4.15Å; F165-Y169 AromaticContact CZ-CD2 3.9Å; F165-Y169 HydrophobicContact CZ-CD2 3.9Å; F165-Y169 HydrophobicContact CZ-CG 4.36Å; F165-Y169 PolarHBondContact O-N 3.3Å; F165-I175 HydrophobicContact CE1-CD1 3.72Å; F165-I175 HydrophobicContact CZ-CD1 3.7Å
166	R	92.5	Very high	93.6	Very high	78 Å²	78	61.6 Å²	61.6	29%	0.294	29%	0.292	S	S	.	.	H	α-helix	trans	-70.1	-15.4	177.8	-63.7	-59.2	-170.7	167	8.3	114.5	D81 R89 P164 K168 Y169 P170 D172	D81-R166 IonicContact OD1-NE 3.96Å; D81-R166 IonicContact OD1-NH2 3.79Å; D81-R166 IonicContact OD2-CZ 3.62Å; D81-R166 IonicContact OD2-NE 2.7Å; D81-R166 IonicContact OD2-NH2 3.9Å; D81-R166 PolarHBondContact OD2-NH2 3.27Å; D81-R166 VanDerWaalsContact OD2-NH2 3.09Å; R89-R166 VanDerWaalsContact CD-NH2 3.29Å; P164-R166 PolarHBondContact O-N 2.92Å; P164-R166 VanDerWaalsContact O-N 3.11Å; R166-K168 VanDerWaalsContact C-N 3.35Å; R166-Y169 WeakPolarHBondContact CD-O 3.33Å; R166-Y169 CarbonylContact O-C 3.56Å; R166-P170 VanDerWaalsContact O-CA 3.28Å; R166-P170 WeakPolarHBondContact O-CA 3.48Å; R166-D172 IonicContact CZ-OD1 3.87Å; R166-D172 IonicContact NH1-OD1 3.54Å; R166-D172 PolarHBondContact NH1-OD1 2.99Å; R166-D172 IonicContact NH2-OD1 3.98Å
167	K	92.6	Very high	93.7	Very high	138 Å²	138	66.2 Å²	66.2	60%	0.6	31%	0.314	S	S	*	.	H	α-helix	trans	-64.5	-42	171.4	-171	-178.9	179.6	-177.2	0	110.8	E163 P164 F165	E163-K167 HydrophobicContact CB-CD 4.38Å; E163-K167 IonicContact OE1-NZ 2.66Å; E163-K167 PolarHBondContact OE1-NZ 3.21Å; P164-K167 WeakPolarHBondContact O-CB 3.28Å; P164-K167 PolarHBondContact O-N 3.35Å; F165-K167 VanDerWaalsContact C-N 3.25Å; F165-K167 PolarHBondContact O-N 2.72Å
168	K	91.3	Very high	93.8	Very high	105 Å²	105	69 Å²	69	46%	0.457	33%	0.328	S	S	.	.	H	α-helix	trans	-90.2	-34.3	179.7	-171.7	172.8	179.6	178.7	0	113.2	N117 F165 R166 P170	N117-K168 PolarHBondContact ND2-NZ 2.98Å; F165-K168 PolarHBondContact O-N 2.91Å; R166-K168 VanDerWaalsContact C-N 3.35Å; K168-P170 WeakPolarHBondContact O-CD 3.49Å
169	Y	93.9	Very high	93.9	Very high	24 Å²	24	69 Å²	69	9%	0.094	33%	0.328	C	S	.	.			trans	-124.4	78.1	178	-56.4	-77.5	0	0	0	110.8	F114 P116 F165 R166 N171 I175 I178	F114-Y169 HydrophobicContact CE1-CD1 4.39Å; F114-Y169 HydrophobicContact CE1-CD2 4.15Å; F114-Y169 HydrophobicContact CE1-CE1 4.27Å; F114-Y169 HydrophobicContact CE1-CE2 4.03Å; F114-Y169 HydrophobicContact CE1-CG 4.33Å; F114-Y169 HydrophobicContact CZ-CD1 4.12Å; F114-Y169 HydrophobicContact CZ-CD2 4.49Å; F114-Y169 AromaticContact CZ-CE1 3.69Å; F114-Y169 HydrophobicContact CZ-CE1 3.69Å; F114-Y169 HydrophobicContact CZ-CE2 4.12Å; F114-Y169 HydrophobicContact CZ-CG 4.5Å; F114-Y169 AromaticContact CZ-CZ 3.69Å; P116-Y169 HydrophobicContact CB-CE2 4.47Å; P116-Y169 HydrophobicContact CG-CE2 3.49Å; P116-Y169 VanDerWaalsContact CG-CE2 3.49Å; P116-Y169 WeakPolarHBondContact CG-OH 3.38Å; F165-Y169 HydrophobicContact CD2-CD2 4.1Å; F165-Y169 AromaticContact CE2-CD2 3.65Å; F165-Y169 HydrophobicContact CE2-CD2 3.65Å; F165-Y169 HydrophobicContact CE2-CE2 4.15Å; F165-Y169 AromaticContact CZ-CD2 3.9Å; F165-Y169 HydrophobicContact CZ-CD2 3.9Å; F165-Y169 HydrophobicContact CZ-CG 4.36Å; F165-Y169 PolarHBondContact O-N 3.3Å; R166-Y169 WeakPolarHBondContact CD-O 3.33Å; R166-Y169 CarbonylContact O-C 3.56Å; Y169-N171 PolarHBondContact O-N 2.94Å; Y169-I175 HydrophobicContact CD1-CG1 3.87Å; Y169-I175 HydrophobicContact CG-CD1 4.24Å; Y169-I175 HydrophobicContact CG-CG1 4Å; Y169-I178 HydrophobicContact CE1-CD1 4.22Å
170	P	93.6	Very high	93.9	Very high	82 Å²	82	75.8 Å²	75.8	53%	0.532	36%	0.358	S	S	.	.	S	Bend	trans	-60.5	-30.2	-177.4	-24.5	33.9	0	0	0	113.6	R166 K168	R166-P170 VanDerWaalsContact O-CA 3.28Å; R166-P170 WeakPolarHBondContact O-CA 3.48Å; K168-P170 WeakPolarHBondContact O-CD 3.49Å
171	N	93.5	Very high	93.9	Very high	77 Å²	77	76.2 Å²	76.2	41%	0.412	38%	0.375	S	S	.	.	S	Bend	trans	-140	164.6	177.3	62.9	69	0	0	0	111.5	Y169 K173	Y169-N171 PolarHBondContact O-N 2.94Å; N171-K173 VanDerWaalsContact C-N 3.33Å; N171-K173 PolarHBondContact O-N 2.88Å; N171-K173 WeakPolarHBondContact OD1-CB 3.29Å; N171-K173 PolarHBondContact OD1-N 2.72Å
172	D	95.7	Very high	93.8	Very high	25 Å²	25	80 Å²	80	13%	0.134	39%	0.389	C	S	.	.	H	α-helix	trans	-82.8	-15.3	-169.1	-63.1	11.6	0	0	0	113	R89 R166 Q174 I175 F176	R89-D172 WeakPolarHBondContact CB-OD2 3.39Å; R89-D172 WeakPolarHBondContact CD-OD2 3.28Å; R89-D172 IonicContact CZ-OD1 3.43Å; R89-D172 IonicContact CZ-OD2 3.09Å; R89-D172 IonicContact NE-OD2 3.66Å; R89-D172 IonicContact NH1-OD1 2.83Å; R89-D172 PolarHBondContact NH1-OD1 2.76Å; R89-D172 IonicContact NH1-OD2 3.83Å; R89-D172 PolarHBondContact NH1-OD2 2.69Å; R166-D172 IonicContact CZ-OD1 3.87Å; R166-D172 IonicContact NH1-OD1 3.54Å; R166-D172 PolarHBondContact NH1-OD1 2.99Å; R166-D172 IonicContact NH2-OD1 3.98Å; D172-Q174 VanDerWaalsContact C-N 3.25Å; D172-Q174 PolarHBondContact O-N 3.17Å; D172-I175 WeakPolarHBondContact O-CA 3.39Å; D172-I175 WeakPolarHBondContact O-CB 3.41Å; D172-I175 PolarHBondContact O-N 3.44Å; D172-F176 HydrophobicContact CB-CD2 4.18Å; D172-F176 HydrophobicContact CB-CE1 4.13Å; D172-F176 HydrophobicContact CB-CE2 3.73Å; D172-F176 HydrophobicContact CB-CZ 3.7Å; D172-F176 WeakPolarHBondContact O-CG 3.17Å; D172-F176 PolarHBondContact O-N 2.92Å
173	K	96	Very high	93.7	Very high	174 Å²	174	77.7 Å²	77.7	76%	0.757	37%	0.374	S	S	*	.	H	α-helix	trans	-56.6	-41.6	-177.6	-173.3	179.2	-179.9	177.7	0	111.4	N171 K177	N171-K173 VanDerWaalsContact C-N 3.33Å; N171-K173 PolarHBondContact O-N 2.88Å; N171-K173 WeakPolarHBondContact OD1-CB 3.29Å; N171-K173 PolarHBondContact OD1-N 2.72Å; K173-K177 VanDerWaalsContact O-CB 3.29Å; K173-K177 WeakPolarHBondContact O-CB 3.42Å; K173-K177 PolarHBondContact O-N 2.87Å
174	Q	95.2	Very high	93.1	Very high	98 Å²	98	79.6 Å²	79.6	46%	0.458	38%	0.381	S	S	.	.	H	α-helix	trans	-68	-42	177	-68.2	-177.9	-10.8	0	0	111.7	D172 K177 I178	D172-Q174 VanDerWaalsContact C-N 3.25Å; D172-Q174 PolarHBondContact O-N 3.17Å; Q174-K177 PolarHBondContact O-N 3.33Å; Q174-I178 VanDerWaalsContact O-CG1 3.31Å; Q174-I178 WeakPolarHBondContact O-CG1 3.49Å; Q174-I178 PolarHBondContact O-N 2.87Å
175	I	96.7	Very high	91.6	Very high	0 Å²	0	85.1 Å²	85.1	0%	0	41%	0.414	C	S	.	.	H	α-helix	trans	-60.6	-50.8	178	-55.2	176.1	0	0	0	110	L79 F114 F165 Y169 D172 K177 I178 L179	L79-I175 HydrophobicContact CD1-CB 4.33Å; L79-I175 HydrophobicContact CD1-CD1 3.61Å; L79-I175 HydrophobicContact CD1-CG2 3.79Å; F114-I175 HydrophobicContact CD1-CB 4.47Å; F114-I175 HydrophobicContact CD1-CD1 4.36Å; F114-I175 HydrophobicContact CD1-CG1 4.34Å; F114-I175 HydrophobicContact CD1-CG2 3.48Å; F114-I175 VanDerWaalsContact CD1-CG2 3.48Å; F114-I175 HydrophobicContact CD2-CG2 3.79Å; F114-I175 HydrophobicContact CE1-CB 3.98Å; F114-I175 HydrophobicContact CE1-CD1 3.83Å; F114-I175 HydrophobicContact CE1-CG1 3.53Å; F114-I175 HydrophobicContact CE1-CG2 3.45Å; F114-I175 VanDerWaalsContact CE1-CG2 3.45Å; F114-I175 HydrophobicContact CE2-CB 4.4Å; F114-I175 HydrophobicContact CE2-CG2 3.75Å; F114-I175 HydrophobicContact CG-CG2 3.66Å; F114-I175 HydrophobicContact CZ-CB 3.92Å; F114-I175 HydrophobicContact CZ-CD1 4.49Å; F114-I175 HydrophobicContact CZ-CG1 3.7Å; F114-I175 HydrophobicContact CZ-CG2 3.57Å; F165-I175 HydrophobicContact CE1-CD1 3.72Å; F165-I175 HydrophobicContact CZ-CD1 3.7Å; Y169-I175 HydrophobicContact CD1-CG1 3.87Å; Y169-I175 HydrophobicContact CG-CD1 4.24Å; Y169-I175 HydrophobicContact CG-CG1 4Å; D172-I175 WeakPolarHBondContact O-CA 3.39Å; D172-I175 WeakPolarHBondContact O-CB 3.41Å; D172-I175 PolarHBondContact O-N 3.44Å; I175-K177 VanDerWaalsContact C-N 3.32Å; I175-K177 PolarHBondContact O-N 3.35Å; I175-I178 WeakPolarHBondContact O-CB 3.29Å; I175-I178 PolarHBondContact O-N 3.06Å; I175-I178 VanDerWaalsContact O-N 3.13Å; I175-L179 HydrophobicContact CG2-CD1 4Å; I175-L179 HydrophobicContact CG2-CG 4.45Å; I175-L179 WeakPolarHBondContact O-CG 3.3Å; I175-L179 PolarHBondContact O-N 2.87Å
176	F	97.2	Very high	91.5	Very high	44 Å²	44	89 Å²	89	19%	0.193	43%	0.433	C	S	.	.	H	α-helix	trans	-67.2	-33	-179	-60.8	-14.6	0	0	0	112.3	L79 K90 A91 D172 L179 K180	L79-F176 HydrophobicContact CD1-CE1 3.9Å; K90-F176 WeakPolarHBondContact O-CE2 3.4Å; K90-F176 VanDerWaalsContact O-CZ 3.31Å; K90-F176 WeakPolarHBondContact O-CZ 3.44Å; A91-F176 HydrophobicContact CB-CD1 3.7Å; A91-F176 HydrophobicContact CB-CE1 3.61Å; A91-F176 HydrophobicContact CB-CZ 4.35Å; D172-F176 HydrophobicContact CB-CD2 4.18Å; D172-F176 HydrophobicContact CB-CE1 4.13Å; D172-F176 HydrophobicContact CB-CE2 3.73Å; D172-F176 HydrophobicContact CB-CZ 3.7Å; D172-F176 WeakPolarHBondContact O-CG 3.17Å; D172-F176 PolarHBondContact O-N 2.92Å; F176-L179 HydrophobicContact CD1-CD1 4.31Å; F176-L179 PolarHBondContact O-N 3.32Å; F176-K180 VanDerWaalsContact O-CB 3.26Å; F176-K180 WeakPolarHBondContact O-CB 3.43Å; F176-K180 PolarHBondContact O-N 2.93Å
177	K	95.9	Very high	91.5	Very high	166 Å²	166	89.6 Å²	89.6	72%	0.722	44%	0.44	S	S	*	.	H	α-helix	trans	-62	-43.9	171.2	-174.7	179.9	178.9	-177.2	0	111.4	K173 Q174 I175 A181	K173-K177 VanDerWaalsContact O-CB 3.29Å; K173-K177 WeakPolarHBondContact O-CB 3.42Å; K173-K177 PolarHBondContact O-N 2.87Å; Q174-K177 PolarHBondContact O-N 3.33Å; I175-K177 VanDerWaalsContact C-N 3.32Å; I175-K177 PolarHBondContact O-N 3.35Å; K177-A181 PolarHBondContact O-N 3.35Å; K177-A181 VanDerWaalsContact O-N 3.08Å
178	I	95.3	Very high	91.4	Very high	57 Å²	57	86.9 Å²	86.9	29%	0.292	43%	0.431	S	S	.	.	H	α-helix	trans	-64.2	-48	177.1	-67.7	162.6	0	0	0	110.7	F114 Y169 Q174 I175 K180 A181 R182	F114-I178 HydrophobicContact CE2-CB 4.28Å; F114-I178 HydrophobicContact CE2-CD1 4.14Å; F114-I178 HydrophobicContact CE2-CG2 4.08Å; F114-I178 HydrophobicContact CZ-CD1 4.31Å; Y169-I178 HydrophobicContact CE1-CD1 4.22Å; Q174-I178 VanDerWaalsContact O-CG1 3.31Å; Q174-I178 WeakPolarHBondContact O-CG1 3.49Å; Q174-I178 PolarHBondContact O-N 2.87Å; I175-I178 WeakPolarHBondContact O-CB 3.29Å; I175-I178 PolarHBondContact O-N 3.06Å; I175-I178 VanDerWaalsContact O-N 3.13Å; I178-K180 PolarHBondContact O-N 3.19Å; I178-A181 PolarHBondContact O-N 3.03Å; I178-R182 PolarHBondContact O-N 2.94Å
179	L	96.5	Very high	91.4	Very high	0 Å²	0	85.8 Å²	85.8	0%	0	43%	0.43	C	S	.	.	H	α-helix	trans	-60.4	-45.2	178.5	-69.6	171.5	0	0	0	111.2	L77 A91 A95 G96 D112 F114 I175 F176 A181 R182 Q183	L77-L179 HydrophobicContact CD2-CD1 3.93Å; L77-L179 HydrophobicContact CD2-CD2 4.44Å; A91-L179 HydrophobicContact CB-CD1 3.97Å; A95-L179 HydrophobicContact CB-CB 3.9Å; G96-L179 VanDerWaalsContact CA-O 3.29Å; G96-L179 WeakPolarHBondContact CA-O 3.39Å; G96-L179 PolarHBondContact N-O 3.37Å; D112-L179 HydrophobicContact CB-CD2 3.83Å; F114-L179 HydrophobicContact CB-CD2 4.36Å; F114-L179 HydrophobicContact CD2-CD2 4.18Å; F114-L179 HydrophobicContact CD2-CG 4.32Å; I175-L179 HydrophobicContact CG2-CD1 4Å; I175-L179 HydrophobicContact CG2-CG 4.45Å; I175-L179 WeakPolarHBondContact O-CG 3.3Å; I175-L179 PolarHBondContact O-N 2.87Å; F176-L179 HydrophobicContact CD1-CD1 4.31Å; F176-L179 PolarHBondContact O-N 3.32Å; L179-A181 VanDerWaalsContact C-N 3.28Å; L179-A181 PolarHBondContact O-N 3.47Å; L179-R182 WeakPolarHBondContact O-CB 3.42Å; L179-R182 PolarHBondContact O-N 3.34Å; L179-Q183 PolarHBondContact O-N 3.49Å
180	K	95.1	Very high	91.3	Very high	143 Å²	143	89.7 Å²	89.7	62%	0.622	45%	0.451	S	S	*	.	H	α-helix	trans	-60.3	-37.7	177	-170.8	174.8	-177.8	178.1	0	112.3	F176 I178 R182 Q183	F176-K180 VanDerWaalsContact O-CB 3.26Å; F176-K180 WeakPolarHBondContact O-CB 3.43Å; F176-K180 PolarHBondContact O-N 2.93Å; I178-K180 PolarHBondContact O-N 3.19Å; K180-R182 PolarHBondContact O-N 2.92Å; K180-Q183 WeakPolarHBondContact O-CB 3.49Å; K180-Q183 PolarHBondContact O-N 3.16Å
181	A	93.9	Very high	91.1	Very high	83 Å²	83	90.2 Å²	90.2	69%	0.686	45%	0.445	S	S	*	.	H	α-helix	trans	-68.4	-20.6	176	0	0	0	0	0	113.6	K177 I178 L179	K177-A181 PolarHBondContact O-N 3.35Å; K177-A181 VanDerWaalsContact O-N 3.08Å; I178-A181 PolarHBondContact O-N 3.03Å; L179-A181 VanDerWaalsContact C-N 3.28Å; L179-A181 PolarHBondContact O-N 3.47Å
182	R	90.9	Very high	90.9	Very high	92 Å²	92	91.1 Å²	91.1	35%	0.347	45%	0.448	S	S	.	.	H	α-helix	trans	-89.3	-10.5	176.4	-71.1	177.9	174.5	155.3	-3	113.4	D112 I178 L179 K180 K184	D112-R182 IonicContact OD1-NH1 3.28Å; D112-R182 WeakPolarHBondContact OD2-CD 3.45Å; D112-R182 IonicContact OD2-CZ 3.49Å; D112-R182 VanDerWaalsContact OD2-CZ 3.28Å; D112-R182 IonicContact OD2-NE 3.81Å; D112-R182 PolarHBondContact OD2-NE 3.42Å; D112-R182 IonicContact OD2-NH1 2.85Å; D112-R182 PolarHBondContact OD2-NH1 2.99Å; I178-R182 PolarHBondContact O-N 2.94Å; L179-R182 WeakPolarHBondContact O-CB 3.42Å; L179-R182 PolarHBondContact O-N 3.34Å; K180-R182 PolarHBondContact O-N 2.92Å; R182-K184 PolarHBondContact O-N 3.14Å; R182-K184 VanDerWaalsContact O-N 3.14Å
183	Q	88	Confident	90.6	Very high	75 Å²	75	96.2 Å²	96.2	35%	0.35	47%	0.472	S	S	.	.			trans	-67.5	111.4	172.8	-174.2	-180	-1.6	0	0	108.8	Q94 C97 L179 K180	Q94-Q183 WeakPolarHBondContact O-CG 3.43Å; C97-Q183 WeakPolarHBondContact O-CA 3.47Å; L179-Q183 PolarHBondContact O-N 3.49Å; K180-Q183 WeakPolarHBondContact O-CB 3.49Å; K180-Q183 PolarHBondContact O-N 3.16Å
184	K	77.1	Confident	90.1	Very high	140 Å²	140	89.8 Å²	89.8	61%	0.609	45%	0.448	S	S	*	.	B	Isolated β-bridge	trans	-111.9	126.3	170	-57.2	178.5	-179.8	176.5	0	107.5	F98 R182	F98-K184 WeakPolarHBondContact CA-O 3.29Å; F98-K184 HydrophobicContact CB-CB 3.75Å; F98-K184 HydrophobicContact CB-CG 4.34Å; R182-K184 PolarHBondContact O-N 3.14Å; R182-K184 VanDerWaalsContact O-N 3.14Å
185	T	59.6	Low	89.6	Confident	179 Å²	179	89 Å²	89	100%	1.098	45%	0.447	S	S	*	.			trans	-88.1	0	177.2	-28.5	0	0	0	0	109.5

Retrieved 185 of 185 residues in 183.2 ms (Link to these results)

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