A0A087XLI6_POEFO Loading...

Peptidyl-prolyl cis-trans isomerase

PPIases accelerate the folding of proteins. It catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides.

AlphaFold DB (A0A3B3UKU9), UniProt , Accession A0A087XLI6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 193 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.3	Very low	43.7	Very low	229 Å²	229	165.5 Å²	165.5	100%	1.128	83%	0.832	S	S	*	*				0	112.7	0	-173.3	169.1	89.9	0	0	107.6
2	L	36.8	Very low	44	Very low	149 Å²	149	161.2 Å²	161.2	78%	0.78	83%	0.828	S	S	*	*			trans	54.7	144.9	161.9	-77.7	86.6	0	0	0	120
3	I	36	Very low	44.2	Very low	142 Å²	142	160.5 Å²	160.5	73%	0.728	83%	0.826	S	S	*	*			cis	-164.2	145.8	-18.9	-110.5	170.9	0	0	0	104.3
4	L	44.6	Very low	44.8	Very low	157 Å²	157	155.4 Å²	155.4	82%	0.822	82%	0.82	S	S	*	*			trans	-50.1	146.4	170.1	-94.2	73.6	0	0	0	113
5	S	43.4	Very low	45.1	Very low	126 Å²	126	157.9 Å²	157.9	88%	0.881	82%	0.822	S	S	*	*			trans	-154.2	114.7	144.4	-77.1	0	0	0	0	111.9
6	N	46.6	Very low	45.3	Very low	131 Å²	131	156.4 Å²	156.4	70%	0.701	82%	0.822	S	S	*	*			trans	-75.7	130.3	178.6	-174.1	18.4	0	0	0	111.2
7	R	55.3	Low	45.8	Very low	244 Å²	244	152.8 Å²	152.8	92%	0.921	82%	0.819	S	S	*	*			trans	-152.2	98.5	151.7	-72.7	-153.8	-179.1	-139.3	-1.1	111.9
8	I	48.4	Very low	46.1	Very low	124 Å²	124	149.2 Å²	149.2	64%	0.636	81%	0.814	S	S	*	*			trans	-58.7	124.5	162.6	-63.8	160.9	0	0	0	108.9	F10	I8-F10 HydrophobicContact CG2-CD2 3.63Å; I8-F10 HydrophobicContact CG2-CE2 3.92Å
9	K	47.1	Very low	46.3	Very low	202 Å²	202	153.2 Å²	153.2	88%	0.878	82%	0.816	S	S	*	*			trans	-100.7	100.4	162.9	-82.8	-174.8	177.5	179.6	0	108.4	C11	K9-C11 PolarHBondContact O-N 2.92Å
10	F	44.1	Very low	46.2	Very low	197 Å²	197	153.9 Å²	153.9	86%	0.864	82%	0.819	S	S	*	*			trans	-63.6	109.9	161.6	-96.3	-94.6	0	0	0	107.9	I8	I8-F10 HydrophobicContact CG2-CD2 3.63Å; I8-F10 HydrophobicContact CG2-CE2 3.92Å
11	C	41.6	Very low	46.3	Very low	120 Å²	120	156.6 Å²	156.6	81%	0.811	82%	0.819	S	S	*	*			trans	-98.3	115.5	166.4	-144.1	0	0	0	0	107.1	K9 L13	K9-C11 PolarHBondContact O-N 2.92Å; C11-L13 PolarHBondContact O-N 2.88Å
12	S	46.3	Very low	46.7	Very low	113 Å²	113	151.1 Å²	151.1	79%	0.79	80%	0.803	S	S	*	*			trans	-58.6	122.3	-175.2	20.8	0	0	0	0	112	A14	S12-A14 PolarHBondContact O-N 3.35Å; S12-A14 VanDerWaalsContact O-N 3.11Å
13	L	47.4	Very low	47.6	Very low	153 Å²	153	149.6 Å²	149.6	80%	0.801	81%	0.806	S	S	*	*			trans	-66.3	104.4	160.7	-95.3	83.4	0	0	0	108.2	C11 F15	C11-L13 PolarHBondContact O-N 2.88Å; L13-F15 PolarHBondContact O-N 3.25Å
14	A	52.5	Low	48.1	Very low	89 Å²	89	145 Å²	145	74%	0.736	79%	0.793	S	S	*	*			trans	-73.1	103.4	165.2	0	0	0	0	0	108.5	S12 T16	S12-A14 PolarHBondContact O-N 3.35Å; S12-A14 VanDerWaalsContact O-N 3.11Å; A14-T16 PolarHBondContact O-N 2.75Å; A14-T16 VanDerWaalsContact O-N 3.07Å
15	F	48.8	Very low	48.1	Very low	193 Å²	193	143.5 Å²	143.5	85%	0.846	79%	0.793	S	S	*	*			trans	-68.5	97	163.8	-94.5	-93.4	0	0	0	108.3	L13 A17	L13-F15 PolarHBondContact O-N 3.25Å; F15-A17 PolarHBondContact O-N 3.42Å
16	T	48	Very low	48.3	Very low	134 Å²	134	142.2 Å²	142.2	82%	0.822	79%	0.79	S	S	*	*			trans	-69.7	96.7	163.1	30.1	0	0	0	0	108.7	A14 A18	A14-T16 PolarHBondContact O-N 2.75Å; A14-T16 VanDerWaalsContact O-N 3.07Å; T16-A18 VanDerWaalsContact C-N 3.35Å; T16-A18 PolarHBondContact O-N 2.81Å
17	A	54.7	Low	48.4	Very low	94 Å²	94	141.4 Å²	141.4	78%	0.777	79%	0.79	S	S	*	*			trans	-68.1	95	164.5	0	0	0	0	0	108.4	F15 R19	F15-A17 PolarHBondContact O-N 3.42Å; A17-R19 PolarHBondContact O-N 3.37Å
18	A	50.2	Low	48.3	Very low	89 Å²	89	134.3 Å²	134.3	74%	0.736	78%	0.783	S	S	*	*			trans	-62.8	106.3	165.3	0	0	0	0	0	107.7	T16 L20	T16-A18 VanDerWaalsContact C-N 3.35Å; T16-A18 PolarHBondContact O-N 2.81Å; A18-L20 VanDerWaalsContact C-N 3.32Å; A18-L20 PolarHBondContact O-N 2.69Å
19	R	51.1	Low	49.1	Very low	225 Å²	225	135.4 Å²	135.4	85%	0.849	79%	0.79	S	S	*	*			trans	-61.8	100.1	163.9	-87	-175	174.7	-169.7	-0.9	107	A17 Y21	A17-R19 PolarHBondContact O-N 3.37Å; R19-Y21 VanDerWaalsContact C-N 3.35Å; R19-Y21 PolarHBondContact O-N 2.58Å
20	L	43.9	Very low	51.1	Low	166 Å²	166	135.2 Å²	135.2	87%	0.869	79%	0.789	S	S	*	*			trans	-57.4	102.3	160.7	-83.7	148	0	0	0	106.9	A18 S22	A18-L20 VanDerWaalsContact C-N 3.32Å; A18-L20 PolarHBondContact O-N 2.69Å; L20-S22 VanDerWaalsContact C-N 3.25Å; L20-S22 PolarHBondContact O-N 3.11Å
21	Y	47.9	Very low	53.6	Low	211 Å²	211	127.2 Å²	127.2	83%	0.827	76%	0.756	S	S	*	*			trans	-64.2	97	159.7	-93.8	-87	0	0	0	106.3	R19 S23	R19-Y21 VanDerWaalsContact C-N 3.35Å; R19-Y21 PolarHBondContact O-N 2.58Å; Y21-S23 VanDerWaalsContact C-N 3.29Å; Y21-S23 PolarHBondContact O-N 3.09Å
22	S	45.9	Very low	56.3	Low	114 Å²	114	122.9 Å²	122.9	80%	0.797	73%	0.726	S	S	*	*			trans	-62.7	98	163.8	-177.7	0	0	0	0	106.9	L20 G24	L20-S22 VanDerWaalsContact C-N 3.25Å; L20-S22 PolarHBondContact O-N 3.11Å; S22-G24 PolarHBondContact O-N 3.16Å
23	S	55.6	Low	58.8	Low	118 Å²	118	121 Å²	121	83%	0.825	70%	0.701	S	S	*	*			trans	-72.7	82.7	162.7	37.4	0	0	0	0	106.6	Y21	Y21-S23 VanDerWaalsContact C-N 3.29Å; Y21-S23 PolarHBondContact O-N 3.09Å
24	G	46.8	Very low	61.2	Low	44 Å²	44	113.7 Å²	113.7	45%	0.454	66%	0.663	S	S	.	*			trans	-54.4	153.1	159.3	0	0	0	0	0	109.1	S22 A26	S22-G24 PolarHBondContact O-N 3.16Å; G24-A26 PolarHBondContact O-N 3.43Å
25	P	44.2	Very low	63.4	Low	127 Å²	127	111.6 Å²	111.6	83%	0.825	64%	0.636	S	S	*	*			trans	-53.2	123.4	174.3	23	-31.2	0	0	0	107.9	T27	P25-T27 VanDerWaalsContact C-N 3.33Å; P25-T27 PolarHBondContact O-N 3.12Å
26	A	48.2	Very low	65.8	Low	99 Å²	99	102.4 Å²	102.4	82%	0.818	60%	0.596	S	S	*	*			trans	-57.5	103.7	172.1	0	0	0	0	0	106.5	G24 A28	G24-A26 PolarHBondContact O-N 3.43Å; A26-A28 PolarHBondContact O-N 2.93Å
27	T	48.3	Very low	68.2	Low	114 Å²	114	97.8 Å²	97.8	70%	0.699	57%	0.566	S	S	*	*			trans	-52	113.4	160.8	46.3	0	0	0	0	104.5	P25 N29	P25-T27 VanDerWaalsContact C-N 3.33Å; P25-T27 PolarHBondContact O-N 3.12Å; T27-N29 VanDerWaalsContact C-N 3.3Å; T27-N29 PolarHBondContact O-N 3.41Å
28	A	53.7	Low	70.3	Confident	94 Å²	94	93.4 Å²	93.4	78%	0.777	53%	0.53	S	S	*	.			trans	-53	104.4	171.8	0	0	0	0	0	105.7	A26 K30	A26-A28 PolarHBondContact O-N 2.93Å; A28-K30 PolarHBondContact O-N 3.15Å
29	N	65.6	Low	72.6	Confident	147 Å²	147	89.3 Å²	89.3	79%	0.786	50%	0.496	S	S	*	.			trans	-61.7	108.5	-176.4	-99.1	-18.9	0	0	0	105.6	T27	T27-N29 VanDerWaalsContact C-N 3.3Å; T27-N29 PolarHBondContact O-N 3.41Å
30	K	88.3	Confident	74.9	Confident	199 Å²	199	78.6 Å²	78.6	87%	0.865	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-60.6	142.3	174	-82.2	-176.1	175.7	-180	0	107.9	A28	A28-K30 PolarHBondContact O-N 3.15Å
31	N	96.8	Very high	77.5	Confident	29 Å²	29	74 Å²	74	16%	0.155	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-56.2	131.9	173.1	-88.1	-19.5	0	0	0	110.1	E51 L52 A54 D55	N31-E51 HydrophobicContact CB-CG 3.81Å; N31-E51 WeakPolarHBondContact CB-OE1 3.49Å; N31-L52 WeakPolarHBondContact CB-O 3.34Å; N31-L52 PolarHBondContact OD1-O 3.48Å; N31-A54 PolarHBondContact OD1-N 2.93Å; N31-D55 PolarHBondContact ND2-OD1 3.33Å; N31-D55 PolarHBondContact OD1-N 3.12Å; N31-D55 VanDerWaalsContact OD1-N 3.15Å; N31-D55 PolarHBondContact OD1-OD1 2.95Å
32	P	97.8	Very high	79.8	Confident	28 Å²	28	70.8 Å²	70.8	18%	0.182	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-60	144.7	179.9	-23.1	32.8	0	0	0	111.3	L52 A54 R65	P32-L52 HydrophobicContact CB-CD1 4.43Å; P32-L52 PolarHBondContact O-N 3.44Å; P32-A54 HydrophobicContact CG-CB 4.18Å; P32-R65 HydrophobicContact CB-CG 4.45Å
33	R	98.4	Very high	82.3	Confident	73 Å²	73	71.5 Å²	71.5	28%	0.275	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	136.7	171.8	-69.1	173.9	69.5	-141.1	5.8	109.6	F50 N161 E162 E191 V192	R33-F50 CarbonylContact C-O 3.56Å; R33-F50 WeakPolarHBondContact CA-O 3.49Å; R33-N161 PolarHBondContact NH2-ND2 3.21Å; R33-E162 IonicContact NH2-OE1 2.96Å; R33-E162 IonicContact NH2-OE2 2.71Å; R33-E191 CarbonylContact O-C 3.48Å; R33-E191 WeakPolarHBondContact O-CA 3.2Å; R33-E191 WeakPolarHBondContact O-CG 3.18Å; R33-V192 HydrophobicContact CB-CB 4.1Å; R33-V192 PolarHBondContact O-N 3.21Å
34	V	98.8	Very high	84.3	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	162.9	177.9	-63.4	0	0	0	0	110.2	T49 F50 L52 F64 R65 C68 G190	V34-T49 CarbonylContact O-C 3.52Å; V34-T49 VanDerWaalsContact O-CA 3.3Å; V34-T49 WeakPolarHBondContact O-CA 3.28Å; V34-F50 HydrophobicContact CG2-CB 3.95Å; V34-F50 HydrophobicContact CG2-CD2 4.11Å; V34-F50 HydrophobicContact CG2-CG 4.45Å; V34-F50 PolarHBondContact N-O 3.31Å; V34-F50 PolarHBondContact O-N 3.26Å; V34-L52 HydrophobicContact CG1-CD1 3.87Å; V34-L52 HydrophobicContact CG2-CD1 4.02Å; V34-L52 HydrophobicContact CG2-CD2 4Å; V34-L52 HydrophobicContact CG2-CG 4.13Å; V34-F64 HydrophobicContact CG2-CD1 3.98Å; V34-F64 HydrophobicContact CG2-CE1 3.77Å; V34-R65 HydrophobicContact CG1-CB 4.34Å; V34-R65 HydrophobicContact CG1-CG 4.11Å; V34-C68 HydrophobicContact CB-CB 4.18Å; V34-C68 HydrophobicContact CG1-CB 4.13Å; V34-G190 CarbonylContact C-O 3.33Å; V34-G190 VanDerWaalsContact CA-O 3.22Å; V34-G190 WeakPolarHBondContact CA-O 3.16Å; V34-G190 VanDerWaalsContact CB-O 3.32Å; V34-G190 WeakPolarHBondContact CB-O 3.45Å
35	Y	98.9	Very high	86.8	Confident	46 Å²	46	69.7 Å²	69.7	18%	0.18	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	154.8	178.9	75.5	-88.2	0	0	0	112.9	R47 V48 A188 C189 G190 V192	Y35-R47 HydrophobicContact CD2-CG 4.37Å; Y35-R47 VanDerWaalsContact CE2-NH2 3.31Å; Y35-V48 CarbonylContact C-O 3.39Å; Y35-V48 WeakPolarHBondContact CA-O 3.21Å; Y35-A188 HydrophobicContact CE2-CB 4.46Å; Y35-C189 WeakPolarHBondContact O-CA 3.09Å; Y35-C189 WeakPolarHBondContact O-CB 3.48Å; Y35-G190 VanDerWaalsContact CD1-O 3.32Å; Y35-G190 WeakPolarHBondContact CD1-O 3.28Å; Y35-G190 PolarHBondContact N-O 3.19Å; Y35-G190 PolarHBondContact O-N 2.96Å; Y35-V192 HydrophobicContact CD1-CG2 3.71Å; Y35-V192 HydrophobicContact CG-CG2 4.32Å
36	F	98.9	Very high	89.4	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	128.9	164.3	-65.7	-25.6	0	0	0	110	I38 R47 V48 F50 F64 C68 Y76 F81 F140 I186 C189	F36-I38 HydrophobicContact CB-CD1 4.4Å; F36-I38 HydrophobicContact CB-CG1 4.05Å; F36-R47 CarbonylContact O-C 3.5Å; F36-R47 VanDerWaalsContact O-CA 3.29Å; F36-R47 WeakPolarHBondContact O-CA 3.42Å; F36-V48 PolarHBondContact N-O 2.9Å; F36-V48 PolarHBondContact O-N 3.03Å; F36-F50 HydrophobicContact CB-CE2 4.28Å; F36-F50 AromaticContact CD2-CE2 3.42Å; F36-F50 HydrophobicContact CD2-CE2 3.42Å; F36-F50 VanDerWaalsContact CD2-CE2 3.42Å; F36-F50 AromaticContact CD2-CZ 3.7Å; F36-F50 HydrophobicContact CD2-CZ 3.7Å; F36-F50 AromaticContact CE2-CE2 3.83Å; F36-F50 HydrophobicContact CE2-CE2 3.83Å; F36-F50 HydrophobicContact CE2-CZ 4.05Å; F36-F50 AromaticContact CG-CE2 3.86Å; F36-F50 HydrophobicContact CG-CE2 3.86Å; F36-F64 HydrophobicContact CE1-CZ 4.45Å; F36-F64 AromaticContact CE2-CZ 3.84Å; F36-F64 HydrophobicContact CE2-CZ 3.84Å; F36-F64 AromaticContact CZ-CE1 3.91Å; F36-F64 HydrophobicContact CZ-CE1 3.91Å; F36-F64 HydrophobicContact CZ-CE2 4.32Å; F36-F64 AromaticContact CZ-CZ 3.43Å; F36-F64 HydrophobicContact CZ-CZ 3.43Å; F36-F64 VanDerWaalsContact CZ-CZ 3.43Å; F36-C68 VanDerWaalsContact CE1-SG 3.57Å; F36-Y76 AromaticContact CE1-CD2 3.87Å; F36-Y76 HydrophobicContact CE1-CD2 3.87Å; F36-Y76 HydrophobicContact CE1-CG 4.33Å; F36-Y76 AromaticContact CZ-CD2 3.81Å; F36-Y76 HydrophobicContact CZ-CD2 3.81Å; F36-Y76 HydrophobicContact CZ-CE2 4.32Å; F36-Y76 HydrophobicContact CZ-CG 4.27Å; F36-F81 HydrophobicContact CD2-CZ 4.49Å; F36-F140 HydrophobicContact CD2-CZ 4.44Å; F36-F140 HydrophobicContact CE2-CE1 4.15Å; F36-F140 AromaticContact CE2-CE2 3.93Å; F36-F140 HydrophobicContact CE2-CE2 3.93Å; F36-F140 AromaticContact CE2-CZ 3.44Å; F36-F140 HydrophobicContact CE2-CZ 3.44Å; F36-F140 VanDerWaalsContact CE2-CZ 3.44Å; F36-F140 HydrophobicContact CZ-CE1 4.19Å; F36-F140 AromaticContact CZ-CZ 3.94Å; F36-F140 HydrophobicContact CZ-CZ 3.94Å; F36-I186 HydrophobicContact CB-CG2 4.16Å; F36-I186 HydrophobicContact CD1-CD1 4.24Å; F36-I186 HydrophobicContact CD1-CG2 3.75Å; F36-I186 HydrophobicContact CD2-CD1 3.96Å; F36-I186 HydrophobicContact CD2-CG1 4.4Å; F36-I186 HydrophobicContact CE1-CD1 4.16Å; F36-I186 HydrophobicContact CE1-CG2 4.35Å; F36-I186 HydrophobicContact CE2-CD1 3.89Å; F36-I186 HydrophobicContact CG-CD1 4.15Å; F36-I186 HydrophobicContact CG-CG1 4.34Å; F36-I186 HydrophobicContact CG-CG2 4.03Å; F36-I186 HydrophobicContact CZ-CD1 3.98Å; F36-C189 HydrophobicContact CD1-CB 3.46Å; F36-C189 VanDerWaalsContact CD1-CB 3.46Å; F36-C189 HydrophobicContact CE1-CB 3.8Å
37	D	98.9	Very high	91.8	Very high	36 Å²	36	66.1 Å²	66.1	19%	0.193	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	125.7	158.6	-65.5	-35.9	0	0	0	108	R47 I186 T187 A188	D37-R47 WeakPolarHBondContact OD1-CB 3.2Å; D37-R47 IonicContact OD1-CZ 3.67Å; D37-R47 IonicContact OD1-NE 3.74Å; D37-R47 PolarHBondContact OD1-NE 3.15Å; D37-R47 IonicContact OD1-NH2 2.76Å; D37-R47 PolarHBondContact OD1-NH2 3.34Å; D37-R47 IonicContact OD2-CZ 2.68Å; D37-R47 IonicContact OD2-NE 3.25Å; D37-R47 IonicContact OD2-NH2 3.41Å; D37-R47 PolarHBondContact OD2-NH2 2.8Å; D37-I186 CarbonylContact O-C 3.59Å; D37-I186 WeakPolarHBondContact O-CA 3.13Å; D37-T187 PolarHBondContact O-N 3.01Å; D37-T187 PolarHBondContact O-OG1 3.07Å; D37-A188 HydrophobicContact CB-CB 4.1Å; D37-A188 PolarHBondContact N-O 3.18Å
38	I	98.9	Very high	94.2	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.01	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	139.6	-172.3	-56.3	178.7	0	0	0	109.9	F36 L45 G46 V48 F81 V166 I167 V170 I184 T185	F36-I38 HydrophobicContact CB-CD1 4.4Å; F36-I38 HydrophobicContact CB-CG1 4.05Å; I38-L45 HydrophobicContact CG2-CD1 4.02Å; I38-L45 HydrophobicContact CG2-CG 4.5Å; I38-L45 WeakPolarHBondContact O-CB 3.05Å; I38-L45 PolarHBondContact O-N 2.87Å; I38-G46 PolarHBondContact N-O 3.31Å; I38-G46 PolarHBondContact O-N 3.01Å; I38-V48 HydrophobicContact CD1-CG2 3.8Å; I38-F81 HydrophobicContact CD1-CE2 3.88Å; I38-F81 HydrophobicContact CD1-CZ 4.12Å; I38-F81 HydrophobicContact CG1-CE2 4.38Å; I38-V166 HydrophobicContact CB-CG1 4.27Å; I38-V166 HydrophobicContact CD1-CG1 4.2Å; I38-I167 HydrophobicContact CD1-CD1 4.29Å; I38-V170 HydrophobicContact CD1-CG2 4.29Å; I38-V170 HydrophobicContact CG2-CG2 3.86Å; I38-I184 HydrophobicContact CG2-CG2 3.63Å; I38-T185 WeakPolarHBondContact CA-O 3.22Å
39	A	98.9	Very high	96.4	Very high	3 Å²	3	56.6 Å²	56.6	3%	0.025	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	152.6	171.1	0	0	0	0	0	111.8	E43 I184 T185 T187	A39-E43 CarbonylContact C-O 3.47Å; A39-E43 WeakPolarHBondContact CA-O 3.31Å; A39-E43 WeakPolarHBondContact CB-O 3.39Å; A39-I184 CarbonylContact O-C 3.52Å; A39-I184 WeakPolarHBondContact O-CA 3.31Å; A39-T185 PolarHBondContact N-O 2.93Å; A39-T185 PolarHBondContact O-N 2.96Å; A39-T187 HydrophobicContact CB-CG2 3.56Å
40	A	98.8	Very high	97.9	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	116.2	170.7	0	0	0	0	0	109.7	N42 E43 L45 Y173 K182 R183 I184	A40-N42 PolarHBondContact O-N 2.86Å; A40-E43 PolarHBondContact N-O 3.47Å; A40-E43 WeakPolarHBondContact O-CB 3.44Å; A40-E43 PolarHBondContact O-N 2.76Å; A40-L45 HydrophobicContact CB-CD1 4.07Å; A40-L45 HydrophobicContact CB-CD2 3.89Å; A40-L45 HydrophobicContact CB-CG 4.12Å; A40-Y173 HydrophobicContact CB-CD2 4.29Å; A40-Y173 HydrophobicContact CB-CE2 3.74Å; A40-K182 HydrophobicContact CB-CB 4.11Å; A40-K182 HydrophobicContact CB-CD 3.77Å; A40-R183 WeakPolarHBondContact CA-O 3.42Å; A40-I184 HydrophobicContact CB-CD1 3.57Å
41	D	98.2	Very high	98.4	Very high	71 Å²	71	43.3 Å²	43.3	38%	0.38	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	42.2	-171.9	-55.3	-28.5	0	0	0	112.8	E43 K182 R183	D41-E43 PolarHBondContact O-N 3.23Å; D41-K182 WeakPolarHBondContact OD2-CB 3.49Å; D41-K182 WeakPolarHBondContact OD2-CD 3.2Å; D41-K182 WeakPolarHBondContact OD2-CG 3.18Å; D41-K182 IonicContact OD2-NZ 3.58Å; D41-R183 PolarHBondContact N-O 2.81Å; D41-R183 PolarHBondContact OD1-N 2.94Å
42	N	95.6	Very high	98.5	Very high	143 Å²	143	42 Å²	42	77%	0.765	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.2	-4.1	-175.4	-47.5	-58.7	0	0	0	116.2	A40 P44	A40-N42 PolarHBondContact O-N 2.86Å; N42-P44 WeakPolarHBondContact O-CD 3.28Å
43	E	98.4	Very high	98.6	Very high	128 Å²	128	42.1 Å²	42.1	60%	0.598	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-78.8	118.9	171.8	-65.7	-61.4	150.8	0	0	110.4	A39 A40 D41 L45	A39-E43 CarbonylContact C-O 3.47Å; A39-E43 WeakPolarHBondContact CA-O 3.31Å; A39-E43 WeakPolarHBondContact CB-O 3.39Å; A40-E43 PolarHBondContact N-O 3.47Å; A40-E43 WeakPolarHBondContact O-CB 3.44Å; A40-E43 PolarHBondContact O-N 2.76Å; D41-E43 PolarHBondContact O-N 3.23Å; E43-L45 PolarHBondContact O-N 3.33Å
44	P	98.7	Very high	98.6	Very high	105 Å²	105	40 Å²	40	68%	0.682	21%	0.212	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-58.8	129.2	179.8	-24.1	34.7	0	0	0	112.1	N42	N42-P44 WeakPolarHBondContact O-CD 3.28Å
45	L	98.8	Very high	98.5	Very high	20 Å²	20	45.5 Å²	45.5	11%	0.105	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	-31.6	173.2	-58.3	-170.2	0	0	0	112.2	I38 A40 E43 V166 K169 V170 Y173	I38-L45 HydrophobicContact CG2-CD1 4.02Å; I38-L45 HydrophobicContact CG2-CG 4.5Å; I38-L45 WeakPolarHBondContact O-CB 3.05Å; I38-L45 PolarHBondContact O-N 2.87Å; A40-L45 HydrophobicContact CB-CD1 4.07Å; A40-L45 HydrophobicContact CB-CD2 3.89Å; A40-L45 HydrophobicContact CB-CG 4.12Å; E43-L45 PolarHBondContact O-N 3.33Å; L45-V166 HydrophobicContact CB-CG1 3.9Å; L45-K169 HydrophobicContact CD1-CG 4.49Å; L45-K169 HydrophobicContact CD2-CD 3.86Å; L45-K169 HydrophobicContact CD2-CG 4.29Å; L45-V170 HydrophobicContact CD1-CG2 3.8Å; L45-Y173 HydrophobicContact CD1-CE2 3.99Å; L45-Y173 HydrophobicContact CD2-CE2 4.16Å
46	G	98.7	Very high	98.5	Very high	30 Å²	30	44.9 Å²	44.9	31%	0.309	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	135.1	-174.1	-179.5	0	0	0	0	0	112.6	I38	I38-G46 PolarHBondContact N-O 3.31Å; I38-G46 PolarHBondContact O-N 3.01Å
47	R	98.8	Very high	98.5	Very high	121 Å²	121	45 Å²	45	46%	0.457	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	141.5	178.5	-178.9	167.2	-72	-169.3	-3.5	111.1	Y35 F36 D37 T49	Y35-R47 HydrophobicContact CD2-CG 4.37Å; Y35-R47 VanDerWaalsContact CE2-NH2 3.31Å; F36-R47 CarbonylContact O-C 3.5Å; F36-R47 VanDerWaalsContact O-CA 3.29Å; F36-R47 WeakPolarHBondContact O-CA 3.42Å; D37-R47 WeakPolarHBondContact OD1-CB 3.2Å; D37-R47 IonicContact OD1-CZ 3.67Å; D37-R47 IonicContact OD1-NE 3.74Å; D37-R47 PolarHBondContact OD1-NE 3.15Å; D37-R47 IonicContact OD1-NH2 2.76Å; D37-R47 PolarHBondContact OD1-NH2 3.34Å; D37-R47 IonicContact OD2-CZ 2.68Å; D37-R47 IonicContact OD2-NE 3.25Å; D37-R47 IonicContact OD2-NH2 3.41Å; D37-R47 PolarHBondContact OD2-NH2 2.8Å; R47-T49 HydrophobicContact CG-CG2 4.35Å
48	V	98.9	Very high	98.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	131.7	168.6	-171	0	0	0	0	107.9	Y35 F36 I38 F50 V160 E162 V166 I167	Y35-V48 CarbonylContact C-O 3.39Å; Y35-V48 WeakPolarHBondContact CA-O 3.21Å; F36-V48 PolarHBondContact N-O 2.9Å; F36-V48 PolarHBondContact O-N 3.03Å; I38-V48 HydrophobicContact CD1-CG2 3.8Å; V48-F50 HydrophobicContact CB-CE2 4.01Å; V48-F50 HydrophobicContact CB-CZ 3.95Å; V48-F50 HydrophobicContact CG1-CD1 4.47Å; V48-F50 HydrophobicContact CG1-CD2 4.48Å; V48-F50 HydrophobicContact CG1-CE1 3.79Å; V48-F50 HydrophobicContact CG1-CE2 3.78Å; V48-F50 HydrophobicContact CG1-CZ 3.39Å; V48-V160 HydrophobicContact CG1-CG1 3.9Å; V48-V160 HydrophobicContact CG1-CG2 4.08Å; V48-E162 WeakPolarHBondContact CA-O 3.29Å; V48-E162 WeakPolarHBondContact CG1-O 3.37Å; V48-V166 HydrophobicContact CG2-CB 3.77Å; V48-V166 HydrophobicContact CG2-CG1 3.83Å; V48-V166 HydrophobicContact CG2-CG2 4.5Å; V48-I167 HydrophobicContact CG1-CD1 4.16Å; V48-I167 HydrophobicContact CG1-CG1 4.05Å; V48-I167 HydrophobicContact CG2-CD1 3.81Å; V48-I167 HydrophobicContact CG2-CG1 4.05Å
49	T	98.8	Very high	98.4	Very high	7 Å²	7	52.9 Å²	52.9	4%	0.043	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	145.6	170.8	66.5	0	0	0	0	110	V34 R47 V160 N161 E162	V34-T49 CarbonylContact O-C 3.52Å; V34-T49 VanDerWaalsContact O-CA 3.3Å; V34-T49 WeakPolarHBondContact O-CA 3.28Å; R47-T49 HydrophobicContact CG-CG2 4.35Å; T49-V160 CarbonylContact O-C 3.57Å; T49-N161 PolarHBondContact O-N 2.91Å; T49-N161 PolarHBondContact OG1-ND2 2.79Å; T49-E162 PolarHBondContact N-O 3.46Å; T49-E162 PolarHBondContact O-N 2.94Å; T49-E162 VanDerWaalsContact OG1-CB 3.31Å; T49-E162 WeakPolarHBondContact OG1-CB 3.4Å; T49-E162 PolarHBondContact OG1-N 3Å; T49-E162 VanDerWaalsContact OG1-N 3.17Å; T49-E162 PolarHBondContact OG1-OE2 3.16Å
50	F	98.8	Very high	98.4	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	141.7	-179.6	-52	-92	0	0	0	109.2	R33 V34 F36 V48 L52 L126 I142 S159 V160	R33-F50 CarbonylContact C-O 3.56Å; R33-F50 WeakPolarHBondContact CA-O 3.49Å; V34-F50 HydrophobicContact CG2-CB 3.95Å; V34-F50 HydrophobicContact CG2-CD2 4.11Å; V34-F50 HydrophobicContact CG2-CG 4.45Å; V34-F50 PolarHBondContact N-O 3.31Å; V34-F50 PolarHBondContact O-N 3.26Å; F36-F50 HydrophobicContact CB-CE2 4.28Å; F36-F50 AromaticContact CD2-CE2 3.42Å; F36-F50 HydrophobicContact CD2-CE2 3.42Å; F36-F50 VanDerWaalsContact CD2-CE2 3.42Å; F36-F50 AromaticContact CD2-CZ 3.7Å; F36-F50 HydrophobicContact CD2-CZ 3.7Å; F36-F50 AromaticContact CE2-CE2 3.83Å; F36-F50 HydrophobicContact CE2-CE2 3.83Å; F36-F50 HydrophobicContact CE2-CZ 4.05Å; F36-F50 AromaticContact CG-CE2 3.86Å; F36-F50 HydrophobicContact CG-CE2 3.86Å; V48-F50 HydrophobicContact CB-CE2 4.01Å; V48-F50 HydrophobicContact CB-CZ 3.95Å; V48-F50 HydrophobicContact CG1-CD1 4.47Å; V48-F50 HydrophobicContact CG1-CD2 4.48Å; V48-F50 HydrophobicContact CG1-CE1 3.79Å; V48-F50 HydrophobicContact CG1-CE2 3.78Å; V48-F50 HydrophobicContact CG1-CZ 3.39Å; F50-L52 HydrophobicContact CB-CD2 4.33Å; F50-L126 HydrophobicContact CB-CD2 4.34Å; F50-L126 HydrophobicContact CD1-CD2 3.95Å; F50-L126 HydrophobicContact CE1-CD1 4.49Å; F50-L126 HydrophobicContact CG-CD2 4.25Å; F50-I142 HydrophobicContact CE1-CD1 3.61Å; F50-I142 HydrophobicContact CE1-CG1 4.09Å; F50-I142 HydrophobicContact CZ-CD1 3.69Å; F50-S159 CarbonylContact C-O 3.49Å; F50-S159 VanDerWaalsContact CA-O 3.26Å; F50-S159 WeakPolarHBondContact CA-O 3.28Å; F50-V160 HydrophobicContact CD1-CG2 3.93Å; F50-V160 HydrophobicContact CE1-CG2 3.64Å
51	E	98.6	Very high	98.4	Very high	68 Å²	68	52.8 Å²	52.8	32%	0.318	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	133.4	161.8	-175.1	176.6	166.1	0	0	108.7	N31 G158 S159	N31-E51 HydrophobicContact CB-CG 3.81Å; N31-E51 WeakPolarHBondContact CB-OE1 3.49Å; E51-G158 CarbonylContact O-C 3.49Å; E51-G158 WeakPolarHBondContact O-CA 3.17Å; E51-S159 PolarHBondContact N-O 3.21Å; E51-S159 PolarHBondContact O-N 2.71Å
52	L	98.7	Very high	98.5	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	123.2	-179.1	-51.8	-176.9	0	0	0	109.8	N31 P32 V34 F50 A54 A61 F64 R65 L126 F157	N31-L52 WeakPolarHBondContact CB-O 3.34Å; N31-L52 PolarHBondContact OD1-O 3.48Å; P32-L52 HydrophobicContact CB-CD1 4.43Å; P32-L52 PolarHBondContact O-N 3.44Å; V34-L52 HydrophobicContact CG1-CD1 3.87Å; V34-L52 HydrophobicContact CG2-CD1 4.02Å; V34-L52 HydrophobicContact CG2-CD2 4Å; V34-L52 HydrophobicContact CG2-CG 4.13Å; F50-L52 HydrophobicContact CB-CD2 4.33Å; L52-A54 PolarHBondContact O-N 3.19Å; L52-A61 HydrophobicContact CB-CB 3.97Å; L52-F64 HydrophobicContact CD1-CB 4.48Å; L52-F64 HydrophobicContact CD1-CD1 4.11Å; L52-F64 HydrophobicContact CD2-CD1 3.85Å; L52-F64 HydrophobicContact CD2-CE1 4.34Å; L52-R65 HydrophobicContact CD1-CB 3.92Å; L52-L126 HydrophobicContact CD2-CD2 3.97Å; L52-F157 HydrophobicContact CD2-CD2 4.2Å; L52-F157 HydrophobicContact CD2-CE2 4.15Å
53	N	98.5	Very high	98.6	Very high	31 Å²	31	45.7 Å²	45.7	17%	0.166	24%	0.242	C	C	.	.			trans	-76.7	62.4	-176.1	-62.8	-45.7	0	0	0	112	D55 V56 V57 L118 F157	N53-D55 PolarHBondContact O-N 3.15Å; N53-V56 HydrophobicContact CB-CB 4.38Å; N53-V56 HydrophobicContact CB-CG2 4.47Å; N53-V56 PolarHBondContact O-N 3.02Å; N53-V57 HydrophobicContact CB-CG2 4.47Å; N53-V57 WeakPolarHBondContact O-CG2 3.4Å; N53-V57 PolarHBondContact O-N 2.85Å; N53-L118 HydrophobicContact CB-CD1 3.83Å; N53-L118 VanDerWaalsContact ND2-CD1 3.3Å; N53-L118 WeakPolarHBondContact ND2-CD1 3.45Å; N53-F157 PolarHBondContact N-O 3.26Å
54	A	98.3	Very high	98.6	Very high	28 Å²	28	39.6 Å²	39.6	23%	0.231	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-22.7	-178.9	0	0	0	0	0	112.8	N31 P32 L52 V56 P58 A61	N31-A54 PolarHBondContact OD1-N 2.93Å; P32-A54 HydrophobicContact CG-CB 4.18Å; L52-A54 PolarHBondContact O-N 3.19Å; A54-V56 VanDerWaalsContact C-N 3.28Å; A54-V56 PolarHBondContact O-N 3.49Å; A54-P58 VanDerWaalsContact O-CA 3.29Å; A54-P58 WeakPolarHBondContact O-CA 3.37Å; A54-P58 VanDerWaalsContact O-CB 3.28Å; A54-P58 WeakPolarHBondContact O-CB 3.46Å; A54-P58 WeakPolarHBondContact O-CD 3.34Å; A54-A61 HydrophobicContact CB-CB 3.82Å
55	D	97.7	Very high	98.6	Very high	117 Å²	117	35.7 Å²	35.7	63%	0.626	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-24.9	170.3	67	-38	0	0	0	113.6	N31 N53	N31-D55 PolarHBondContact ND2-OD1 3.33Å; N31-D55 PolarHBondContact OD1-N 3.12Å; N31-D55 VanDerWaalsContact OD1-N 3.15Å; N31-D55 PolarHBondContact OD1-OD1 2.95Å; N53-D55 PolarHBondContact O-N 3.15Å
56	V	98.2	Very high	98.6	Very high	33 Å²	33	34.7 Å²	34.7	20%	0.2	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-39.2	-179.3	-172.3	0	0	0	0	113	N53 A54 N115 K117 L118	N53-V56 HydrophobicContact CB-CB 4.38Å; N53-V56 HydrophobicContact CB-CG2 4.47Å; N53-V56 PolarHBondContact O-N 3.02Å; A54-V56 VanDerWaalsContact C-N 3.28Å; A54-V56 PolarHBondContact O-N 3.49Å; V56-N115 PolarHBondContact O-ND2 3.17Å; V56-K117 HydrophobicContact CG1-CB 4.13Å; V56-K117 HydrophobicContact CG1-CD 4.03Å; V56-L118 HydrophobicContact CB-CD1 4.28Å; V56-L118 HydrophobicContact CG1-CD1 4.23Å; V56-L118 HydrophobicContact CG1-CD2 4.49Å; V56-L118 HydrophobicContact CG1-CG 4.02Å
57	V	98.6	Very high	98.7	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.006	17%	0.166	C	C	.	.			trans	-135.5	64.9	-176.5	-73.6	0	0	0	0	111	N53 K59 T60 A61 E114 N115 V155 F157	N53-V57 HydrophobicContact CB-CG2 4.47Å; N53-V57 WeakPolarHBondContact O-CG2 3.4Å; N53-V57 PolarHBondContact O-N 2.85Å; V57-K59 VanDerWaalsContact C-N 3.31Å; V57-K59 PolarHBondContact O-N 3.3Å; V57-T60 PolarHBondContact O-N 3.23Å; V57-A61 WeakPolarHBondContact O-CB 3.18Å; V57-A61 PolarHBondContact O-N 3.08Å; V57-E114 VanDerWaalsContact C-CD 3.5Å; V57-E114 VanDerWaalsContact CA-CD 3.49Å; V57-E114 VanDerWaalsContact CA-OE2 3.29Å; V57-E114 WeakPolarHBondContact CA-OE2 3.47Å; V57-E114 HydrophobicContact CB-CG 4.45Å; V57-E114 WeakPolarHBondContact CB-OE2 3.43Å; V57-E114 HydrophobicContact CG1-CB 4.36Å; V57-E114 HydrophobicContact CG1-CG 4.29Å; V57-N115 WeakPolarHBondContact CG1-ND2 3.25Å; V57-V155 HydrophobicContact CG1-CG1 3.96Å; V57-F157 HydrophobicContact CG2-CB 3.55Å
58	P	98.5	Very high	98.7	Very high	70 Å²	70	27.7 Å²	27.7	46%	0.455	15%	0.145	S	C	.	.	H	α-helix	trans	-56.6	-38.7	-172.9	19.7	-32.3	0	0	0	113.9	A54 E62 E114	A54-P58 VanDerWaalsContact O-CA 3.29Å; A54-P58 WeakPolarHBondContact O-CA 3.37Å; A54-P58 VanDerWaalsContact O-CB 3.28Å; A54-P58 WeakPolarHBondContact O-CB 3.46Å; A54-P58 WeakPolarHBondContact O-CD 3.34Å; P58-E62 WeakPolarHBondContact O-CB 3.44Å; P58-E62 PolarHBondContact O-N 3.37Å; P58-E114 WeakPolarHBondContact CD-OE1 3.43Å; P58-E114 WeakPolarHBondContact CG-OE1 3.5Å
59	K	98.8	Very high	98.6	Very high	135 Å²	135	30.1 Å²	30.1	59%	0.587	16%	0.16	S	C	*	.	H	α-helix	trans	-71.5	-40.9	-179.8	-65.3	-177	176.9	-178.9	0	111.8	V57 N63 Y107 E114	V57-K59 VanDerWaalsContact C-N 3.31Å; V57-K59 PolarHBondContact O-N 3.3Å; K59-N63 WeakPolarHBondContact O-CB 3.19Å; K59-N63 PolarHBondContact O-N 3Å; K59-Y107 HydrophobicContact CB-CE2 4.24Å; K59-Y107 WeakPolarHBondContact O-CE2 3.45Å; K59-Y107 PolarHBondContact O-OH 2.78Å; K59-E114 PolarHBondContact N-OE1 3.03Å; K59-E114 PolarHBondContact N-OE2 2.81Å
60	T	98.9	Very high	98.6	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-68.3	-43.7	-179.9	-49.1	0	0	0	0	110.6	V57 F64 F111 E114 M128 V155 F157	V57-T60 PolarHBondContact O-N 3.23Å; T60-F64 PolarHBondContact O-N 3.47Å; T60-F64 VanDerWaalsContact O-N 3.16Å; T60-F111 HydrophobicContact CG2-CE2 4.47Å; T60-F111 HydrophobicContact CG2-CZ 4.29Å; T60-E114 WeakPolarHBondContact CB-OE2 3.26Å; T60-E114 PolarHBondContact N-OE2 3.17Å; T60-E114 PolarHBondContact OG1-OE2 3.42Å; T60-M128 HydrophobicContact CG2-CG 3.59Å; T60-M128 HydrophobicContact CG2-SD 3.95Å; T60-V155 HydrophobicContact CG2-CG1 4.09Å; T60-F157 HydrophobicContact CG2-CB 3.58Å; T60-F157 HydrophobicContact CG2-CD1 3.75Å; T60-F157 HydrophobicContact CG2-CD2 4.42Å; T60-F157 HydrophobicContact CG2-CG 3.68Å
61	A	98.8	Very high	98.6	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.3	-47.7	175	0	0	0	0	0	111.6	L52 A54 V57 N63 F64 R65	L52-A61 HydrophobicContact CB-CB 3.97Å; A54-A61 HydrophobicContact CB-CB 3.82Å; V57-A61 WeakPolarHBondContact O-CB 3.18Å; V57-A61 PolarHBondContact O-N 3.08Å; A61-N63 PolarHBondContact O-N 2.88Å; A61-F64 PolarHBondContact O-N 2.97Å; A61-R65 WeakPolarHBondContact O-CB 3.34Å; A61-R65 PolarHBondContact O-N 2.97Å
62	E	98.8	Very high	98.6	Very high	65 Å²	65	37.2 Å²	37.2	30%	0.304	20%	0.199	S	C	.	.	H	α-helix	trans	-62.5	-42.6	179.8	176.1	53.8	-157.3	0	0	112.3	P58 F64 R65 A66 I106	P58-E62 WeakPolarHBondContact O-CB 3.44Å; P58-E62 PolarHBondContact O-N 3.37Å; E62-F64 VanDerWaalsContact C-N 3.32Å; E62-F64 PolarHBondContact O-N 2.68Å; E62-R65 PolarHBondContact O-N 3.04Å; E62-R65 IonicContact OE1-CZ 3.57Å; E62-R65 IonicContact OE1-NE 3.57Å; E62-R65 IonicContact OE1-NH2 2.73Å; E62-R65 PolarHBondContact OE1-NH2 3.2Å; E62-R65 IonicContact OE2-CZ 3.55Å; E62-R65 IonicContact OE2-NE 3.53Å; E62-R65 PolarHBondContact OE2-NE 3.23Å; E62-R65 IonicContact OE2-NH2 2.82Å; E62-A66 VanDerWaalsContact O-CB 3.31Å; E62-A66 WeakPolarHBondContact O-CB 3.46Å; E62-A66 PolarHBondContact O-N 3.31Å; E62-I106 HydrophobicContact CG-CD1 4.12Å
63	N	98.9	Very high	98.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-56.3	-47.3	173.4	173.8	68.2	0	0	0	111.9	K59 A61 L67 S105 I106 Y107 G137	K59-N63 WeakPolarHBondContact O-CB 3.19Å; K59-N63 PolarHBondContact O-N 3Å; A61-N63 PolarHBondContact O-N 2.88Å; N63-L67 WeakPolarHBondContact O-CB 3.5Å; N63-L67 WeakPolarHBondContact O-CD1 3.18Å; N63-L67 WeakPolarHBondContact O-CG 3.47Å; N63-L67 PolarHBondContact O-N 3.5Å; N63-L67 VanDerWaalsContact O-N 3.1Å; N63-S105 WeakPolarHBondContact OD1-CA 3.4Å; N63-S105 WeakPolarHBondContact OD1-CB 3.39Å; N63-I106 HydrophobicContact CB-CG1 4.25Å; N63-I106 PolarHBondContact OD1-N 2.77Å; N63-Y107 HydrophobicContact CB-CE2 3.87Å; N63-G137 PolarHBondContact ND2-O 3.29Å; N63-G137 VanDerWaalsContact ND2-O 3.09Å
64	F	98.9	Very high	98.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-67.4	-42.5	-179.3	-166.4	-92.1	0	0	0	112.1	V34 F36 L52 T60 A61 E62 L67 C68 Y76 L126 F140 F157	V34-F64 HydrophobicContact CG2-CD1 3.98Å; V34-F64 HydrophobicContact CG2-CE1 3.77Å; F36-F64 HydrophobicContact CE1-CZ 4.45Å; F36-F64 AromaticContact CE2-CZ 3.84Å; F36-F64 HydrophobicContact CE2-CZ 3.84Å; F36-F64 AromaticContact CZ-CE1 3.91Å; F36-F64 HydrophobicContact CZ-CE1 3.91Å; F36-F64 HydrophobicContact CZ-CE2 4.32Å; F36-F64 AromaticContact CZ-CZ 3.43Å; F36-F64 HydrophobicContact CZ-CZ 3.43Å; F36-F64 VanDerWaalsContact CZ-CZ 3.43Å; L52-F64 HydrophobicContact CD1-CB 4.48Å; L52-F64 HydrophobicContact CD1-CD1 4.11Å; L52-F64 HydrophobicContact CD2-CD1 3.85Å; L52-F64 HydrophobicContact CD2-CE1 4.34Å; T60-F64 PolarHBondContact O-N 3.47Å; T60-F64 VanDerWaalsContact O-N 3.16Å; A61-F64 PolarHBondContact O-N 2.97Å; E62-F64 VanDerWaalsContact C-N 3.32Å; E62-F64 PolarHBondContact O-N 2.68Å; F64-L67 PolarHBondContact O-N 3.33Å; F64-C68 VanDerWaalsContact CE1-SG 3.53Å; F64-C68 PolarHBondContact O-N 3.39Å; F64-C68 PolarHBondContact O-SG 3.13Å; F64-Y76 HydrophobicContact CD1-CE2 4.4Å; F64-Y76 AromaticContact CD2-CE2 3.67Å; F64-Y76 HydrophobicContact CD2-CE2 3.67Å; F64-Y76 AromaticContact CD2-CZ 3.8Å; F64-Y76 WeakPolarHBondContact CD2-OH 3.39Å; F64-Y76 HydrophobicContact CE1-CE2 4.37Å; F64-Y76 AromaticContact CE2-CE2 3.63Å; F64-Y76 HydrophobicContact CE2-CE2 3.63Å; F64-Y76 AromaticContact CE2-CZ 3.82Å; F64-Y76 HydrophobicContact CG-CE2 4.08Å; F64-Y76 HydrophobicContact CZ-CE2 4.01Å; F64-L126 HydrophobicContact CD1-CD2 4.39Å; F64-L126 HydrophobicContact CE1-CD2 3.93Å; F64-L126 HydrophobicContact CE2-CD1 4.37Å; F64-L126 HydrophobicContact CE2-CD2 4.33Å; F64-L126 HydrophobicContact CZ-CD1 4.23Å; F64-L126 HydrophobicContact CZ-CD2 3.88Å; F64-F140 HydrophobicContact CD2-CD1 4.49Å; F64-F140 HydrophobicContact CE2-CB 4Å; F64-F140 AromaticContact CE2-CD1 3.55Å; F64-F140 HydrophobicContact CE2-CD1 3.55Å; F64-F140 HydrophobicContact CE2-CD2 4.19Å; F64-F140 HydrophobicContact CE2-CE1 4.01Å; F64-F140 AromaticContact CE2-CG 3.65Å; F64-F140 HydrophobicContact CE2-CG 3.65Å; F64-F140 HydrophobicContact CZ-CD1 4.33Å; F64-F140 HydrophobicContact CZ-CE1 4.39Å; F64-F140 HydrophobicContact CZ-CG 4.38Å; F64-F157 HydrophobicContact CB-CD2 4.27Å; F64-F157 HydrophobicContact CB-CE2 3.58Å; F64-F157 HydrophobicContact CB-CZ 4.19Å; F64-F157 AromaticContact CD1-CE2 3.94Å; F64-F157 HydrophobicContact CD1-CE2 3.94Å; F64-F157 AromaticContact CD2-CE2 3.47Å; F64-F157 HydrophobicContact CD2-CE2 3.47Å; F64-F157 VanDerWaalsContact CD2-CE2 3.47Å; F64-F157 AromaticContact CD2-CZ 3.35Å; F64-F157 HydrophobicContact CD2-CZ 3.35Å; F64-F157 HydrophobicContact CE1-CE2 4.47Å; F64-F157 HydrophobicContact CE2-CE2 4.06Å; F64-F157 AromaticContact CE2-CZ 3.75Å; F64-F157 HydrophobicContact CE2-CZ 3.75Å; F64-F157 HydrophobicContact CG-CD2 4.46Å; F64-F157 AromaticContact CG-CE2 3.39Å; F64-F157 HydrophobicContact CG-CE2 3.39Å; F64-F157 AromaticContact CG-CZ 3.81Å; F64-F157 HydrophobicContact CG-CZ 3.81Å; F64-F157 HydrophobicContact CZ-CZ 4.5Å
65	R	98.8	Very high	98.6	Very high	23 Å²	23	41 Å²	41	9%	0.087	23%	0.234	C	C	.	.	H	α-helix	trans	-58.2	-53.6	176.7	-174.3	-151.9	67	71.4	5.2	111.4	P32 V34 L52 A61 E62 L67 C68 T69 E71 E191	P32-R65 HydrophobicContact CB-CG 4.45Å; V34-R65 HydrophobicContact CG1-CB 4.34Å; V34-R65 HydrophobicContact CG1-CG 4.11Å; L52-R65 HydrophobicContact CD1-CB 3.92Å; A61-R65 WeakPolarHBondContact O-CB 3.34Å; A61-R65 PolarHBondContact O-N 2.97Å; E62-R65 PolarHBondContact O-N 3.04Å; E62-R65 IonicContact OE1-CZ 3.57Å; E62-R65 IonicContact OE1-NE 3.57Å; E62-R65 IonicContact OE1-NH2 2.73Å; E62-R65 PolarHBondContact OE1-NH2 3.2Å; E62-R65 IonicContact OE2-CZ 3.55Å; E62-R65 IonicContact OE2-NE 3.53Å; E62-R65 PolarHBondContact OE2-NE 3.23Å; E62-R65 IonicContact OE2-NH2 2.82Å; R65-L67 VanDerWaalsContact C-N 3.27Å; R65-L67 PolarHBondContact O-N 3.46Å; R65-C68 WeakPolarHBondContact O-CA 3.38Å; R65-C68 VanDerWaalsContact O-CB 3.28Å; R65-C68 WeakPolarHBondContact O-CB 3.2Å; R65-C68 PolarHBondContact O-N 2.92Å; R65-T69 PolarHBondContact O-N 2.92Å; R65-E71 IonicContact CZ-OE1 3.8Å; R65-E71 IonicContact CZ-OE2 3.44Å; R65-E71 IonicContact NH1-OE1 2.77Å; R65-E71 IonicContact NH1-OE2 3.86Å; R65-E71 PolarHBondContact NH1-OE2 3.02Å; R65-E71 IonicContact NH2-OE1 2.75Å; R65-E71 PolarHBondContact NH2-OE1 2.71Å; R65-E71 IonicContact NH2-OE2 3.09Å; R65-E71 PolarHBondContact NH2-OE2 3.49Å; R65-E71 VanDerWaalsContact NH2-OE2 3.09Å; R65-E191 WeakPolarHBondContact CD-OE1 3.29Å; R65-E191 VanDerWaalsContact CD-OE2 3.31Å; R65-E191 WeakPolarHBondContact CD-OE2 3.14Å; R65-E191 HydrophobicContact CG-CG 4.45Å; R65-E191 IonicContact CZ-OE2 3.98Å; R65-E191 IonicContact NE-OE2 2.9Å; R65-E191 IonicContact NH1-OE2 3.64Å; R65-E191 PolarHBondContact NH1-OE2 3.45Å
66	A	98.8	Very high	98.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.3	-31	-179	0	0	0	0	0	112.8	E62 T69 G70 E71 I106	E62-A66 VanDerWaalsContact O-CB 3.31Å; E62-A66 WeakPolarHBondContact O-CB 3.46Å; E62-A66 PolarHBondContact O-N 3.31Å; A66-T69 WeakPolarHBondContact CA-OG1 3.45Å; A66-T69 PolarHBondContact O-OG1 2.96Å; A66-T69 VanDerWaalsContact O-OG1 3.06Å; A66-G70 PolarHBondContact O-N 2.79Å; A66-E71 HydrophobicContact CB-CG 4.19Å; A66-I106 HydrophobicContact CB-CD1 4.05Å; A66-I106 HydrophobicContact CB-CG2 3.92Å
67	L	98.9	Very high	98.7	Very high	1 Å²	1	41 Å²	41	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-73.1	-26.1	171.4	-71.4	172.4	0	0	0	113	N63 F64 R65 F74 G75 Y76 F95 I106	N63-L67 WeakPolarHBondContact O-CB 3.5Å; N63-L67 WeakPolarHBondContact O-CD1 3.18Å; N63-L67 WeakPolarHBondContact O-CG 3.47Å; N63-L67 PolarHBondContact O-N 3.5Å; N63-L67 VanDerWaalsContact O-N 3.1Å; F64-L67 PolarHBondContact O-N 3.33Å; R65-L67 VanDerWaalsContact C-N 3.27Å; R65-L67 PolarHBondContact O-N 3.46Å; L67-F74 HydrophobicContact CD2-CD2 3.64Å; L67-F74 HydrophobicContact CD2-CE2 3.64Å; L67-G75 CarbonylContact O-C 3.57Å; L67-G75 WeakPolarHBondContact O-CA 3.14Å; L67-Y76 HydrophobicContact CB-CD2 3.79Å; L67-Y76 HydrophobicContact CB-CE1 4.18Å; L67-Y76 HydrophobicContact CB-CE2 3.37Å; L67-Y76 HydrophobicContact CB-CG 4.37Å; L67-Y76 HydrophobicContact CD1-CE1 4.13Å; L67-Y76 HydrophobicContact CD1-CE2 4.31Å; L67-Y76 VanDerWaalsContact CD1-OH 3.29Å; L67-Y76 WeakPolarHBondContact CD1-OH 3.31Å; L67-Y76 HydrophobicContact CG-CE2 4.49Å; L67-Y76 PolarHBondContact O-N 2.87Å; L67-F95 HydrophobicContact CD1-CE1 4.44Å; L67-F95 HydrophobicContact CD2-CE1 3.69Å; L67-F95 HydrophobicContact CD2-CZ 4.05Å; L67-I106 HydrophobicContact CD2-CG2 4.33Å; L67-I106 HydrophobicContact CG-CG2 4.22Å
68	C	98.9	Very high	98.7	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.014	24%	0.244	C	C	.	.	H	α-helix	trans	-72.3	-43	170.5	-65.1	0	0	0	0	111.4	V34 F36 F64 R65 C189 G190	V34-C68 HydrophobicContact CB-CB 4.18Å; V34-C68 HydrophobicContact CG1-CB 4.13Å; F36-C68 VanDerWaalsContact CE1-SG 3.57Å; F64-C68 VanDerWaalsContact CE1-SG 3.53Å; F64-C68 PolarHBondContact O-N 3.39Å; F64-C68 PolarHBondContact O-SG 3.13Å; R65-C68 WeakPolarHBondContact O-CA 3.38Å; R65-C68 VanDerWaalsContact O-CB 3.28Å; R65-C68 WeakPolarHBondContact O-CB 3.2Å; R65-C68 PolarHBondContact O-N 2.92Å; C68-C189 CarbonylContact O-C 3.52Å; C68-C189 PolarHBondContact O-SG 3.11Å; C68-G190 PolarHBondContact O-N 2.91Å
69	T	98.8	Very high	98.7	Very high	51 Å²	51	39.4 Å²	39.4	31%	0.313	22%	0.223	S	C	.	.	H	α-helix	trans	-73.1	-30.6	178.4	63.4	0	0	0	0	112.3	R65 A66 E71 E191	R65-T69 PolarHBondContact O-N 2.92Å; A66-T69 WeakPolarHBondContact CA-OG1 3.45Å; A66-T69 PolarHBondContact O-OG1 2.96Å; A66-T69 VanDerWaalsContact O-OG1 3.06Å; T69-E71 VanDerWaalsContact C-N 3.26Å; T69-E71 WeakPolarHBondContact OG1-CG 3.36Å; T69-E71 PolarHBondContact OG1-N 2.83Å; T69-E71 PolarHBondContact OG1-OE2 2.94Å; T69-E191 HydrophobicContact CG2-CB 3.91Å
70	G	98.6	Very high	98.7	Very high	27 Å²	27	33.3 Å²	33.3	28%	0.278	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.4	17.6	-175.5	0	0	0	0	0	113.4	A66 H72 G73 F74	A66-G70 PolarHBondContact O-N 2.79Å; G70-H72 PolarHBondContact O-N 3.43Å; G70-H72 VanDerWaalsContact O-N 3.09Å; G70-G73 PolarHBondContact O-N 3.25Å; G70-F74 WeakPolarHBondContact CA-O 3.46Å
71	E	98.4	Very high	98.7	Very high	105 Å²	105	33.4 Å²	33.4	49%	0.491	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-18.9	-173.7	65.6	-166.3	-132.5	0	0	114.2	R65 A66 T69 G73	R65-E71 IonicContact CZ-OE1 3.8Å; R65-E71 IonicContact CZ-OE2 3.44Å; R65-E71 IonicContact NH1-OE1 2.77Å; R65-E71 IonicContact NH1-OE2 3.86Å; R65-E71 PolarHBondContact NH1-OE2 3.02Å; R65-E71 IonicContact NH2-OE1 2.75Å; R65-E71 PolarHBondContact NH2-OE1 2.71Å; R65-E71 IonicContact NH2-OE2 3.09Å; R65-E71 PolarHBondContact NH2-OE2 3.49Å; R65-E71 VanDerWaalsContact NH2-OE2 3.09Å; A66-E71 HydrophobicContact CB-CG 4.19Å; T69-E71 VanDerWaalsContact C-N 3.26Å; T69-E71 WeakPolarHBondContact OG1-CG 3.36Å; T69-E71 PolarHBondContact OG1-N 2.83Å; T69-E71 PolarHBondContact OG1-OE2 2.94Å; E71-G73 VanDerWaalsContact C-N 3.33Å
72	H	97.8	Very high	98.7	Very high	92 Å²	92	34.9 Å²	34.9	43%	0.426	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	11.3	173.4	-65.3	-77.1	0	0	0	114.2	G70 F74	G70-H72 PolarHBondContact O-N 3.43Å; G70-H72 VanDerWaalsContact O-N 3.09Å; H72-F74 VanDerWaalsContact C-N 3.3Å; H72-F74 HydrophobicContact CB-CD1 4.28Å; H72-F74 HydrophobicContact CB-CE1 3.76Å; H72-F74 HydrophobicContact CB-CZ 3.98Å; H72-F74 WeakPolarHBondContact O-CD1 3.46Å; H72-F74 WeakPolarHBondContact O-CE1 3.35Å; H72-F74 PolarHBondContact O-N 3.48Å
73	G	98.4	Very high	98.7	Very high	75 Å²	75	36.3 Å²	36.3	77%	0.773	21%	0.207	S	C	*	.	S	Bend	trans	80	7.3	179.6	0	0	0	0	0	114.6	G70 E71	G70-G73 PolarHBondContact O-N 3.25Å; E71-G73 VanDerWaalsContact C-N 3.33Å
74	F	98.7	Very high	98.7	Very high	49 Å²	49	36.3 Å²	36.3	22%	0.215	21%	0.207	C	C	.	.			trans	-148.4	154.2	172.3	56.3	-90.2	0	0	0	109.4	L67 G70 H72 F95 K104	L67-F74 HydrophobicContact CD2-CD2 3.64Å; L67-F74 HydrophobicContact CD2-CE2 3.64Å; G70-F74 WeakPolarHBondContact CA-O 3.46Å; H72-F74 VanDerWaalsContact C-N 3.3Å; H72-F74 HydrophobicContact CB-CD1 4.28Å; H72-F74 HydrophobicContact CB-CE1 3.76Å; H72-F74 HydrophobicContact CB-CZ 3.98Å; H72-F74 WeakPolarHBondContact O-CD1 3.46Å; H72-F74 WeakPolarHBondContact O-CE1 3.35Å; H72-F74 PolarHBondContact O-N 3.48Å; F74-F95 HydrophobicContact CB-CE2 4.18Å; F74-F95 HydrophobicContact CD2-CE1 4.37Å; F74-F95 AromaticContact CD2-CE2 3.89Å; F74-F95 HydrophobicContact CD2-CE2 3.89Å; F74-F95 AromaticContact CD2-CZ 3.54Å; F74-F95 HydrophobicContact CD2-CZ 3.54Å; F74-F95 HydrophobicContact CE2-CZ 4.16Å; F74-F95 HydrophobicContact CG-CE2 4.37Å; F74-F95 HydrophobicContact CG-CZ 4.44Å; F74-K104 HydrophobicContact CD2-CG 4.41Å; F74-K104 HydrophobicContact CE2-CD 4.43Å; F74-K104 HydrophobicContact CE2-CG 4.11Å; F74-K104 HydrophobicContact CZ-CD 4.5Å
75	G	98.6	Very high	98.7	Very high	14 Å²	14	37.5 Å²	37.5	14%	0.144	21%	0.213	C	C	.	.			trans	176.1	-168.9	-175.6	0	0	0	0	0	114.1	L67 F95	L67-G75 CarbonylContact O-C 3.57Å; L67-G75 WeakPolarHBondContact O-CA 3.14Å; G75-F95 WeakPolarHBondContact O-CB 3.48Å
76	Y	98.9	Very high	98.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.225	C	C	.	.	S	Bend	trans	-78.9	-18.2	-171.9	-63	-48.9	0	0	0	115	F36 F64 L67 G78 S79 F95 S138 F140	F36-Y76 AromaticContact CE1-CD2 3.87Å; F36-Y76 HydrophobicContact CE1-CD2 3.87Å; F36-Y76 HydrophobicContact CE1-CG 4.33Å; F36-Y76 AromaticContact CZ-CD2 3.81Å; F36-Y76 HydrophobicContact CZ-CD2 3.81Å; F36-Y76 HydrophobicContact CZ-CE2 4.32Å; F36-Y76 HydrophobicContact CZ-CG 4.27Å; F64-Y76 HydrophobicContact CD1-CE2 4.4Å; F64-Y76 AromaticContact CD2-CE2 3.67Å; F64-Y76 HydrophobicContact CD2-CE2 3.67Å; F64-Y76 AromaticContact CD2-CZ 3.8Å; F64-Y76 WeakPolarHBondContact CD2-OH 3.39Å; F64-Y76 HydrophobicContact CE1-CE2 4.37Å; F64-Y76 AromaticContact CE2-CE2 3.63Å; F64-Y76 HydrophobicContact CE2-CE2 3.63Å; F64-Y76 AromaticContact CE2-CZ 3.82Å; F64-Y76 HydrophobicContact CG-CE2 4.08Å; F64-Y76 HydrophobicContact CZ-CE2 4.01Å; L67-Y76 HydrophobicContact CB-CD2 3.79Å; L67-Y76 HydrophobicContact CB-CE1 4.18Å; L67-Y76 HydrophobicContact CB-CE2 3.37Å; L67-Y76 HydrophobicContact CB-CG 4.37Å; L67-Y76 HydrophobicContact CD1-CE1 4.13Å; L67-Y76 HydrophobicContact CD1-CE2 4.31Å; L67-Y76 VanDerWaalsContact CD1-OH 3.29Å; L67-Y76 WeakPolarHBondContact CD1-OH 3.31Å; L67-Y76 HydrophobicContact CG-CE2 4.49Å; L67-Y76 PolarHBondContact O-N 2.87Å; Y76-G78 PolarHBondContact O-N 3.39Å; Y76-S79 VanDerWaalsContact O-CB 3.23Å; Y76-S79 WeakPolarHBondContact O-CB 3.25Å; Y76-S79 PolarHBondContact O-N 2.82Å; Y76-S79 PolarHBondContact O-OG 3.14Å; Y76-F95 HydrophobicContact CD1-CD1 4.24Å; Y76-F95 HydrophobicContact CE1-CD1 4.4Å; Y76-S138 VanDerWaalsContact CE1-O 3.3Å; Y76-S138 WeakPolarHBondContact CE1-O 3.36Å; Y76-S138 PolarHBondContact OH-O 2.96Å; Y76-F140 HydrophobicContact CD1-CE1 4.25Å; Y76-F140 HydrophobicContact CE1-CD1 4.12Å; Y76-F140 HydrophobicContact CE1-CE1 4.03Å
77	K	98.8	Very high	98.7	Very high	152 Å²	152	46.7 Å²	46.7	66%	0.661	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	124.8	179.2	-173.6	178.5	179.7	178.9	0	110.5	S79 C189	K77-S79 VanDerWaalsContact C-N 3.27Å; K77-S79 PolarHBondContact O-N 2.93Å; K77-C189 PolarHBondContact N-SG 3.21Å
78	G	98.6	Very high	98.7	Very high	37 Å²	37	48.5 Å²	48.5	38%	0.381	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.8	-7.3	-176.7	0	0	0	0	0	114.9	Y76 I186	Y76-G78 PolarHBondContact O-N 3.39Å; G78-I186 WeakPolarHBondContact CA-O 3.39Å; G78-I186 PolarHBondContact N-O 3.04Å
79	S	98.8	Very high	98.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.269	C	S	.	.			trans	-74.9	169.5	173.6	78.2	0	0	0	0	111.8	Y76 K77 T185 I186	Y76-S79 VanDerWaalsContact O-CB 3.23Å; Y76-S79 WeakPolarHBondContact O-CB 3.25Å; Y76-S79 PolarHBondContact O-N 2.82Å; Y76-S79 PolarHBondContact O-OG 3.14Å; K77-S79 VanDerWaalsContact C-N 3.27Å; K77-S79 PolarHBondContact O-N 2.93Å; S79-T185 WeakPolarHBondContact O-CA 3.4Å; S79-I186 PolarHBondContact O-N 2.92Å
80	T	98.8	Very high	98.7	Very high	7 Å²	7	46.1 Å²	46.1	4%	0.043	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-126	155.7	-173.3	57.7	0	0	0	0	113.4	H82 G92 R183 I184	T80-H82 PolarHBondContact O-N 2.81Å; T80-G92 WeakPolarHBondContact O-CA 3.31Å; T80-R183 HydrophobicContact CG2-CG 4.11Å; T80-I184 CarbonylContact C-O 3.5Å; T80-I184 WeakPolarHBondContact CA-O 3.49Å; T80-I184 WeakPolarHBondContact CB-O 3.39Å; T80-I184 WeakPolarHBondContact CG2-O 3.48Å
81	F	98.9	Very high	98.7	Very high	1 Å²	1	46.1 Å²	46.1	0%	0.004	25%	0.247	C	C	.	.			trans	-79.2	93.4	159.8	-65.7	-96.2	0	0	0	107.9	F36 I38 R83 V84 C90 Q91 F140 I142 V170 I184 I186	F36-F81 HydrophobicContact CD2-CZ 4.49Å; I38-F81 HydrophobicContact CD1-CE2 3.88Å; I38-F81 HydrophobicContact CD1-CZ 4.12Å; I38-F81 HydrophobicContact CG1-CE2 4.38Å; F81-R83 VanDerWaalsContact C-N 3.33Å; F81-V84 HydrophobicContact CB-CG2 4.01Å; F81-C90 HydrophobicContact CD1-CB 3.92Å; F81-C90 HydrophobicContact CE1-CB 4.2Å; F81-Q91 CarbonylContact C-O 3.6Å; F81-Q91 WeakPolarHBondContact CA-O 3.37Å; F81-F140 AromaticContact CE1-CE2 3.85Å; F81-F140 HydrophobicContact CE1-CE2 3.85Å; F81-F140 HydrophobicContact CE1-CZ 4.09Å; F81-F140 HydrophobicContact CZ-CE2 4.23Å; F81-F140 HydrophobicContact CZ-CZ 4.18Å; F81-I142 HydrophobicContact CE1-CD1 4.05Å; F81-I142 HydrophobicContact CZ-CD1 4.27Å; F81-V170 HydrophobicContact CG-CG1 4.39Å; F81-I184 HydrophobicContact CB-CB 4.12Å; F81-I184 HydrophobicContact CB-CG2 4.22Å; F81-I184 HydrophobicContact CD2-CB 4.35Å; F81-I184 HydrophobicContact CD2-CG2 3.65Å; F81-I184 HydrophobicContact CE2-CG2 4.44Å; F81-I184 HydrophobicContact CG-CG2 4.25Å; F81-I184 PolarHBondContact N-O 2.95Å; F81-I186 HydrophobicContact CD2-CG1 4.47Å; F81-I186 HydrophobicContact CE2-CD1 4.17Å; F81-I186 HydrophobicContact CE2-CG1 3.81Å; F81-I186 HydrophobicContact CZ-CD1 4.49Å
82	H	98.8	Very high	98.7	Very high	32 Å²	32	41.1 Å²	41.1	15%	0.148	22%	0.223	C	C	.	.			trans	-82.6	-12.8	-173.9	61.4	-90.3	0	0	0	112.8	T80 Q91 H98 G100 Q139	T80-H82 PolarHBondContact O-N 2.81Å; H82-Q91 PolarHBondContact N-O 3.29Å; H82-H98 WeakPolarHBondContact CB-O 3.29Å; H82-G100 PolarHBondContact CD2-N 3.03Å; H82-G100 VanDerWaalsContact NE2-CA 3.3Å; H82-G100 WeakPolarHBondContact NE2-CA 3.24Å; H82-Q139 PolarHBondContact CE1-OE1 2.99Å; H82-Q139 PolarHBondContact NE2-OE1 3.47Å
83	R	98.8	Very high	98.8	Very high	95 Å²	95	36.7 Å²	36.7	36%	0.358	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	112.8	179.7	-172.4	176.3	174.9	-104.2	2.5	111.3	F81 M89 Q91 G178	F81-R83 VanDerWaalsContact C-N 3.33Å; R83-M89 HydrophobicContact CG-CE 4.2Å; R83-Q91 HydrophobicContact CB-CB 4.2Å; R83-Q91 PolarHBondContact N-O 2.85Å; R83-Q91 WeakPolarHBondContact O-CA 3.43Å; R83-Q91 WeakPolarHBondContact O-CB 3.42Å; R83-Q91 PolarHBondContact O-N 2.79Å; R83-G178 CarbonylContact C-O 3.57Å; R83-G178 VanDerWaalsContact CA-O 3.28Å; R83-G178 WeakPolarHBondContact CA-O 3.4Å
84	V	98.9	Very high	98.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	121	-179.9	-177.7	0	0	0	0	109.6	F81 C90 V170 G174 S175 G178 T180	F81-V84 HydrophobicContact CB-CG2 4.01Å; V84-C90 HydrophobicContact CG1-CB 4.48Å; V84-C90 HydrophobicContact CG2-CB 4.33Å; V84-V170 HydrophobicContact CG2-CG1 4.15Å; V84-G174 VanDerWaalsContact O-CA 3.31Å; V84-G174 WeakPolarHBondContact O-CA 3.38Å; V84-S175 PolarHBondContact O-N 3.29Å; V84-S175 VanDerWaalsContact O-N 3.12Å; V84-G178 PolarHBondContact N-O 2.75Å; V84-G178 CarbonylContact O-C 3.57Å; V84-G178 WeakPolarHBondContact O-CA 3.28Å; V84-T180 HydrophobicContact CB-CG2 3.76Å; V84-T180 HydrophobicContact CG2-CG2 3.5Å; V84-T180 VanDerWaalsContact CG2-CG2 3.5Å
85	I	98.8	Very high	98.8	Very high	25 Å²	25	32.1 Å²	32.1	13%	0.128	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	113.8	179.4	-61.2	178.8	0	0	0	108	F88 M89	I85-F88 HydrophobicContact CB-CB 4.04Å; I85-F88 HydrophobicContact CB-CD1 3.94Å; I85-F88 HydrophobicContact CB-CG 4.49Å; I85-F88 HydrophobicContact CD1-CD1 3.95Å; I85-F88 HydrophobicContact CD1-CE1 4.37Å; I85-F88 HydrophobicContact CG1-CD1 4.48Å; I85-F88 HydrophobicContact CG2-CB 3.81Å; I85-F88 HydrophobicContact CG2-CD1 4.02Å; I85-F88 HydrophobicContact CG2-CG 4.44Å; I85-F88 WeakPolarHBondContact O-CB 3.45Å; I85-F88 PolarHBondContact O-N 3.49Å; I85-F88 VanDerWaalsContact O-N 3.16Å; I85-M89 HydrophobicContact CB-CE 3.92Å; I85-M89 HydrophobicContact CD1-CE 3.89Å; I85-M89 HydrophobicContact CG1-CE 3.74Å; I85-M89 PolarHBondContact N-O 3.09Å; I85-M89 PolarHBondContact O-N 3.17Å; I85-M89 VanDerWaalsContact O-N 3.11Å
86	P	98.8	Very high	98.8	Very high	51 Å²	51	34.7 Å²	34.7	33%	0.331	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	142.2	176.2	-25.2	34.1	0	0	0	112.3	F88 E171	P86-F88 PolarHBondContact O-N 2.98Å; P86-E171 HydrophobicContact CB-CG 4.26Å
87	Q	98.4	Very high	98.7	Very high	164 Å²	164	38.6 Å²	38.6	77%	0.766	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	32.9	-173.7	-55.3	175.1	45	0	0	113	T145 E171	Q87-T145 WeakPolarHBondContact O-CG2 3.39Å; Q87-E171 WeakPolarHBondContact CA-OE1 3.36Å; Q87-E171 PolarHBondContact N-OE1 2.75Å
88	F	98.7	Very high	98.7	Very high	40 Å²	40	34.8 Å²	34.8	18%	0.175	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-144.9	-78.5	174.9	-179.2	-151.3	0	0	0	110.7	I85 P86 T144 T147 W149 L150	I85-F88 HydrophobicContact CB-CB 4.04Å; I85-F88 HydrophobicContact CB-CD1 3.94Å; I85-F88 HydrophobicContact CB-CG 4.49Å; I85-F88 HydrophobicContact CD1-CD1 3.95Å; I85-F88 HydrophobicContact CD1-CE1 4.37Å; I85-F88 HydrophobicContact CG1-CD1 4.48Å; I85-F88 HydrophobicContact CG2-CB 3.81Å; I85-F88 HydrophobicContact CG2-CD1 4.02Å; I85-F88 HydrophobicContact CG2-CG 4.44Å; I85-F88 WeakPolarHBondContact O-CB 3.45Å; I85-F88 PolarHBondContact O-N 3.49Å; I85-F88 VanDerWaalsContact O-N 3.16Å; P86-F88 PolarHBondContact O-N 2.98Å; F88-T144 PolarHBondContact N-OG1 3.2Å; F88-T144 VanDerWaalsContact N-OG1 3.15Å; F88-T144 PolarHBondContact O-N 2.79Å; F88-T144 PolarHBondContact O-OG1 2.81Å; F88-T147 HydrophobicContact CD2-CG2 3.61Å; F88-T147 HydrophobicContact CE2-CG2 3.79Å; F88-W149 AromaticContact CD2-CZ2 3.84Å; F88-W149 HydrophobicContact CD2-CZ2 3.84Å; F88-W149 AromaticContact CE2-CZ2 3.8Å; F88-W149 HydrophobicContact CE2-CZ2 3.8Å; F88-W149 AromaticContact CE2-NE1 3.86Å; F88-L150 HydrophobicContact CE2-CD1 4.01Å; F88-L150 HydrophobicContact CZ-CD1 4.31Å
89	M	98.8	Very high	98.7	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.01	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.8	162.8	-174.2	60.3	80.2	-126.5	0	0	114	R83 I85 Q91 F141 I142	R83-M89 HydrophobicContact CG-CE 4.2Å; I85-M89 HydrophobicContact CB-CE 3.92Å; I85-M89 HydrophobicContact CD1-CE 3.89Å; I85-M89 HydrophobicContact CG1-CE 3.74Å; I85-M89 PolarHBondContact N-O 3.09Å; I85-M89 PolarHBondContact O-N 3.17Å; I85-M89 VanDerWaalsContact O-N 3.11Å; M89-Q91 HydrophobicContact CE-CB 4.34Å; M89-Q91 HydrophobicContact SD-CB 3.54Å; M89-Q91 VanDerWaalsContact SD-CB 3.54Å; M89-F141 HydrophobicContact CB-CB 4.18Å; M89-F141 HydrophobicContact CB-CD2 4.05Å; M89-F141 HydrophobicContact CB-CG 4.48Å; M89-F141 HydrophobicContact CG-CB 4.24Å; M89-F141 HydrophobicContact CG-CD2 4.35Å; M89-F141 HydrophobicContact CG-CG 4.49Å; M89-F141 HydrophobicContact SD-CB 3.88Å; M89-I142 CarbonylContact C-O 3.58Å; M89-I142 WeakPolarHBondContact CA-O 3.4Å; M89-I142 WeakPolarHBondContact CB-O 3.26Å
90	C	98.9	Very high	98.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	113.1	169.4	-55.4	0	0	0	0	109.1	F81 V84 F141 I142 V170	F81-C90 HydrophobicContact CD1-CB 3.92Å; F81-C90 HydrophobicContact CE1-CB 4.2Å; V84-C90 HydrophobicContact CG1-CB 4.48Å; V84-C90 HydrophobicContact CG2-CB 4.33Å; C90-F141 CarbonylContact O-C 3.53Å; C90-F141 VanDerWaalsContact O-CA 3.26Å; C90-F141 WeakPolarHBondContact O-CA 3.42Å; C90-I142 PolarHBondContact N-O 3.42Å; C90-I142 PolarHBondContact O-N 2.78Å; C90-V170 HydrophobicContact CB-CG1 4.2Å
91	Q	98.9	Very high	98.6	Very high	27 Å²	27	43.5 Å²	43.5	13%	0.126	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	134.9	-177.7	174.3	179.7	-5	0	0	111.8	F81 H82 R83 M89 Q139 F140 F141	F81-Q91 CarbonylContact C-O 3.6Å; F81-Q91 WeakPolarHBondContact CA-O 3.37Å; H82-Q91 PolarHBondContact N-O 3.29Å; R83-Q91 HydrophobicContact CB-CB 4.2Å; R83-Q91 PolarHBondContact N-O 2.85Å; R83-Q91 WeakPolarHBondContact O-CA 3.43Å; R83-Q91 WeakPolarHBondContact O-CB 3.42Å; R83-Q91 PolarHBondContact O-N 2.79Å; M89-Q91 HydrophobicContact CE-CB 4.34Å; M89-Q91 HydrophobicContact SD-CB 3.54Å; M89-Q91 VanDerWaalsContact SD-CB 3.54Å; Q91-Q139 VanDerWaalsContact NE2-OE1 3.13Å; Q91-F140 VanDerWaalsContact CA-O 3.31Å; Q91-F140 WeakPolarHBondContact CA-O 3.06Å; Q91-F140 WeakPolarHBondContact CG-O 3.18Å; Q91-F141 HydrophobicContact CB-CB 4.06Å
92	G	98.9	Very high	98.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	-159.4	-179	0	0	0	0	0	112.1	T80 Q139 F140	T80-G92 WeakPolarHBondContact O-CA 3.31Å; G92-Q139 VanDerWaalsContact O-CA 3.28Å; G92-Q139 WeakPolarHBondContact O-CA 3.41Å; G92-F140 PolarHBondContact N-O 3.37Å; G92-F140 PolarHBondContact O-N 2.81Å; G92-F140 VanDerWaalsContact O-N 3.13Å
93	G	98.7	Very high	98.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.236	C	C	.	.			trans	86.2	1.5	173.4	0	0	0	0	0	115.9	F95 S138	G93-F95 PolarHBondContact O-N 2.83Å; G93-S138 WeakPolarHBondContact CA-O 3.23Å; G93-S138 WeakPolarHBondContact O-CB 3.3Å; G93-S138 PolarHBondContact O-OG 3.18Å
94	D	98.8	Very high	98.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-82.4	93.4	164.4	-176	-2.7	0	0	0	109.3	T96 N97 H98 N99 G100 T101 G102 G103 Q139	D94-T96 PolarHBondContact OD1-N 3.46Å; D94-T96 VanDerWaalsContact OD1-N 3.13Å; D94-T96 PolarHBondContact OD1-OG1 2.92Å; D94-N97 PolarHBondContact OD1-N 2.78Å; D94-H98 WeakPolarHBondContact O-CA 3.33Å; D94-H98 PolarHBondContact O-ND1 2.99Å; D94-H98 PolarHBondContact OD1-N 2.61Å; D94-H98 PolarHBondContact OD2-N 2.89Å; D94-H98 VanDerWaalsContact OD2-N 3.17Å; D94-N99 PolarHBondContact OD2-N 3.44Å; D94-N99 PolarHBondContact OD2-OD1 2.96Å; D94-G100 WeakPolarHBondContact OD2-CA 3.41Å; D94-G100 PolarHBondContact OD2-N 2.95Å; D94-T101 PolarHBondContact OD2-N 3.03Å; D94-G102 VanDerWaalsContact OD1-CA 3.3Å; D94-G102 WeakPolarHBondContact OD1-CA 3.48Å; D94-G102 PolarHBondContact OD2-N 2.77Å; D94-G102 VanDerWaalsContact OD2-N 3.09Å; D94-G103 PolarHBondContact OD1-N 3.17Å; D94-Q139 HydrophobicContact CB-CG 4.08Å
95	F	98.6	Very high	98.5	Very high	28 Å²	28	42.5 Å²	42.5	12%	0.123	24%	0.235	C	C	.	.			trans	-93.3	0.5	178.3	58	-108.1	0	0	0	113.6	L67 F74 G75 Y76 G93 H98 K104 S138	L67-F95 HydrophobicContact CD1-CE1 4.44Å; L67-F95 HydrophobicContact CD2-CE1 3.69Å; L67-F95 HydrophobicContact CD2-CZ 4.05Å; F74-F95 HydrophobicContact CB-CE2 4.18Å; F74-F95 HydrophobicContact CD2-CE1 4.37Å; F74-F95 AromaticContact CD2-CE2 3.89Å; F74-F95 HydrophobicContact CD2-CE2 3.89Å; F74-F95 AromaticContact CD2-CZ 3.54Å; F74-F95 HydrophobicContact CD2-CZ 3.54Å; F74-F95 HydrophobicContact CE2-CZ 4.16Å; F74-F95 HydrophobicContact CG-CE2 4.37Å; F74-F95 HydrophobicContact CG-CZ 4.44Å; G75-F95 WeakPolarHBondContact O-CB 3.48Å; Y76-F95 HydrophobicContact CD1-CD1 4.24Å; Y76-F95 HydrophobicContact CE1-CD1 4.4Å; G93-F95 PolarHBondContact O-N 2.83Å; F95-H98 PolarHBondContact O-CE1 3.35Å; F95-K104 HydrophobicContact CE2-CG 4.02Å; F95-K104 HydrophobicContact CZ-CG 3.74Å; F95-K104 WeakPolarHBondContact CZ-O 3.46Å; F95-S138 VanDerWaalsContact CE1-OG 3.29Å; F95-S138 WeakPolarHBondContact CE1-OG 3.3Å
96	T	98.3	Very high	98.5	Very high	67 Å²	67	42.9 Å²	42.9	41%	0.411	24%	0.237	S	C	.	.	S	Bend	trans	-104.4	-48.4	179.6	67.4	0	0	0	0	111.9	D94 G102 G103	D94-T96 PolarHBondContact OD1-N 3.46Å; D94-T96 VanDerWaalsContact OD1-N 3.13Å; D94-T96 PolarHBondContact OD1-OG1 2.92Å; T96-G102 VanDerWaalsContact OG1-CA 3.23Å; T96-G102 WeakPolarHBondContact OG1-CA 3.39Å; T96-G103 PolarHBondContact OG1-N 3.32Å
97	N	98.4	Very high	98.5	Very high	82 Å²	82	45.5 Å²	45.5	44%	0.439	24%	0.241	S	C	.	.	S	Bend	trans	-111.4	-15.6	-175.4	-61.9	1.3	0	0	0	112	D94 N99 T101	D94-N97 PolarHBondContact OD1-N 2.78Å; N97-N99 WeakPolarHBondContact CB-OD1 3.3Å; N97-N99 PolarHBondContact O-N 2.81Å; N97-T101 PolarHBondContact ND2-OG1 3.36Å
98	H	98.2	Very high	98.5	Very high	73 Å²	73	39.4 Å²	39.4	34%	0.338	22%	0.222	S	C	.	.	S	Bend	trans	57	27.3	177.4	-53.6	-63.4	0	0	0	114.8	H82 D94 F95	H82-H98 WeakPolarHBondContact CB-O 3.29Å; D94-H98 WeakPolarHBondContact O-CA 3.33Å; D94-H98 PolarHBondContact O-ND1 2.99Å; D94-H98 PolarHBondContact OD1-N 2.61Å; D94-H98 PolarHBondContact OD2-N 2.89Å; D94-H98 VanDerWaalsContact OD2-N 3.17Å; F95-H98 PolarHBondContact O-CE1 3.35Å
99	N	98.1	Very high	98.5	Very high	96 Å²	96	44 Å²	44	51%	0.513	25%	0.248	S	C	.	.	S	Bend	trans	-143.4	4.5	-173.8	66	12.9	0	0	0	114.1	D94 N97 T101	D94-N99 PolarHBondContact OD2-N 3.44Å; D94-N99 PolarHBondContact OD2-OD1 2.96Å; N97-N99 WeakPolarHBondContact CB-OD1 3.3Å; N97-N99 PolarHBondContact O-N 2.81Å; N99-T101 WeakPolarHBondContact OD1-CB 3.44Å; N99-T101 WeakPolarHBondContact OD1-CG2 3.4Å; N99-T101 PolarHBondContact OD1-N 2.92Å; N99-T101 PolarHBondContact OD1-OG1 2.78Å
100	G	98.1	Very high	98.4	Very high	27 Å²	27	51.6 Å²	51.6	28%	0.278	28%	0.276	S	S	.	.	S	Bend	trans	95.1	-2.5	179.1	0	0	0	0	0	114.4	H82 D94 Q139	H82-G100 PolarHBondContact CD2-N 3.03Å; H82-G100 VanDerWaalsContact NE2-CA 3.3Å; H82-G100 WeakPolarHBondContact NE2-CA 3.24Å; D94-G100 WeakPolarHBondContact OD2-CA 3.41Å; D94-G100 PolarHBondContact OD2-N 2.95Å; G100-Q139 PolarHBondContact O-NE2 3.26Å
101	T	98.1	Very high	98.4	Very high	104 Å²	104	52.2 Å²	52.2	64%	0.638	28%	0.279	S	S	*	.	S	Bend	trans	-96.2	-8.4	178.6	66	0	0	0	0	113.7	D94 N97 N99	D94-T101 PolarHBondContact OD2-N 3.03Å; N97-T101 PolarHBondContact ND2-OG1 3.36Å; N99-T101 WeakPolarHBondContact OD1-CB 3.44Å; N99-T101 WeakPolarHBondContact OD1-CG2 3.4Å; N99-T101 PolarHBondContact OD1-N 2.92Å; N99-T101 PolarHBondContact OD1-OG1 2.78Å
102	G	98.1	Very high	98.4	Very high	16 Å²	16	54.9 Å²	54.9	17%	0.165	30%	0.299	C	S	.	.			trans	-115.1	-156.5	-174.8	0	0	0	0	0	114.5	D94 T96 Q139	D94-G102 VanDerWaalsContact OD1-CA 3.3Å; D94-G102 WeakPolarHBondContact OD1-CA 3.48Å; D94-G102 PolarHBondContact OD2-N 2.77Å; D94-G102 VanDerWaalsContact OD2-N 3.09Å; T96-G102 VanDerWaalsContact OG1-CA 3.23Å; T96-G102 WeakPolarHBondContact OG1-CA 3.39Å; G102-Q139 PolarHBondContact O-NE2 2.89Å
103	G	98.4	Very high	98.4	Very high	16 Å²	16	56.1 Å²	56.1	17%	0.165	31%	0.305	C	S	.	.			trans	89.8	160.2	-175.3	0	0	0	0	0	113.6	D94 T96 S138	D94-G103 PolarHBondContact OD1-N 3.17Å; T96-G103 PolarHBondContact OG1-N 3.32Å; G103-S138 WeakPolarHBondContact CA-OG 3.49Å
104	K	98.7	Very high	98.4	Very high	73 Å²	73	58.6 Å²	58.6	32%	0.317	32%	0.317	S	S	.	.			trans	-157.1	150.8	175.8	62.1	178.2	-176.7	177.2	0	110.2	F74 F95 L109 S138	F74-K104 HydrophobicContact CD2-CG 4.41Å; F74-K104 HydrophobicContact CE2-CD 4.43Å; F74-K104 HydrophobicContact CE2-CG 4.11Å; F74-K104 HydrophobicContact CZ-CD 4.5Å; F95-K104 HydrophobicContact CE2-CG 4.02Å; F95-K104 HydrophobicContact CZ-CG 3.74Å; F95-K104 WeakPolarHBondContact CZ-O 3.46Å; K104-L109 HydrophobicContact CB-CD2 4.31Å; K104-S138 PolarHBondContact N-OG 2.84Å; K104-S138 WeakPolarHBondContact O-CB 3.09Å
105	S	98.8	Very high	98.4	Very high	2 Å²	2	60.2 Å²	60.2	1%	0.014	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-81.4	169.7	173.7	73.6	0	0	0	0	111.6	N63 Y107 G108 F111	N63-S105 WeakPolarHBondContact OD1-CA 3.4Å; N63-S105 WeakPolarHBondContact OD1-CB 3.39Å; S105-Y107 PolarHBondContact O-N 2.92Å; S105-Y107 PolarHBondContact OG-N 3.26Å; S105-Y107 VanDerWaalsContact OG-N 3.11Å; S105-G108 CarbonylContact C-O 3.5Å; S105-G108 WeakPolarHBondContact CA-O 3.41Å; S105-G108 PolarHBondContact N-O 3.11Å; S105-G108 PolarHBondContact O-N 2.88Å; S105-G108 VanDerWaalsContact O-O 3.11Å; S105-G108 PolarHBondContact OG-N 3.21Å; S105-G108 PolarHBondContact OG-O 3.11Å; S105-F111 VanDerWaalsContact CB-CD1 3.5Å
106	I	98.8	Very high	98.4	Very high	33 Å²	33	62 Å²	62	17%	0.169	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-15.9	168.5	67.9	170.8	0	0	0	112.7	E62 N63 A66 L67	E62-I106 HydrophobicContact CG-CD1 4.12Å; N63-I106 HydrophobicContact CB-CG1 4.25Å; N63-I106 PolarHBondContact OD1-N 2.77Å; A66-I106 HydrophobicContact CB-CD1 4.05Å; A66-I106 HydrophobicContact CB-CG2 3.92Å; L67-I106 HydrophobicContact CD2-CG2 4.33Å; L67-I106 HydrophobicContact CG-CG2 4.22Å
107	Y	98.6	Very high	98.4	Very high	106 Å²	106	66.3 Å²	66.3	42%	0.416	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	1.9	-179.5	-47.8	-56.1	0	0	0	113.6	K59 N63 S105 F111	K59-Y107 HydrophobicContact CB-CE2 4.24Å; K59-Y107 WeakPolarHBondContact O-CE2 3.45Å; K59-Y107 PolarHBondContact O-OH 2.78Å; N63-Y107 HydrophobicContact CB-CE2 3.87Å; S105-Y107 PolarHBondContact O-N 2.92Å; S105-Y107 PolarHBondContact OG-N 3.26Å; S105-Y107 VanDerWaalsContact OG-N 3.11Å; Y107-F111 HydrophobicContact CD2-CB 4.12Å; Y107-F111 HydrophobicContact CD2-CD1 4.26Å; Y107-F111 HydrophobicContact CD2-CD2 4.5Å; Y107-F111 HydrophobicContact CD2-CG 4.06Å
108	G	98.2	Very high	98.4	Very high	35 Å²	35	64.8 Å²	64.8	36%	0.361	34%	0.338	S	S	.	.	B	Isolated β-bridge	trans	123.2	-166	-173.5	0	0	0	0	0	112.5	S105 R110	S105-G108 CarbonylContact C-O 3.5Å; S105-G108 WeakPolarHBondContact CA-O 3.41Å; S105-G108 PolarHBondContact N-O 3.11Å; S105-G108 PolarHBondContact O-N 2.88Å; S105-G108 VanDerWaalsContact O-O 3.11Å; S105-G108 PolarHBondContact OG-N 3.21Å; S105-G108 PolarHBondContact OG-O 3.11Å; G108-R110 VanDerWaalsContact C-N 3.3Å; G108-R110 PolarHBondContact O-N 3.03Å
109	L	97.4	Very high	98.4	Very high	137 Å²	137	65.4 Å²	65.4	72%	0.717	34%	0.34	S	S	*	.	S	Bend	trans	-60.6	-38.9	-177	-69.6	177.5	0	0	0	112.7	K104	K104-L109 HydrophobicContact CB-CD2 4.31Å
110	R	97.3	Very high	98.4	Very high	162 Å²	162	60.9 Å²	60.9	61%	0.611	32%	0.316	S	S	*	.			trans	-143	154.5	-178.9	-67.7	175.3	178	167	2.4	111.6	G108 N136	G108-R110 VanDerWaalsContact C-N 3.3Å; G108-R110 PolarHBondContact O-N 3.03Å; R110-N136 CarbonylContact C-O 3.55Å; R110-N136 WeakPolarHBondContact CA-O 3.28Å
111	F	98.7	Very high	98.5	Very high	12 Å²	12	64.3 Å²	64.3	5%	0.053	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-135.9	157.4	169.1	70.8	-82.3	0	0	0	112.5	T60 S105 Y107 M128 N134 N136 G137	T60-F111 HydrophobicContact CG2-CE2 4.47Å; T60-F111 HydrophobicContact CG2-CZ 4.29Å; S105-F111 VanDerWaalsContact CB-CD1 3.5Å; Y107-F111 HydrophobicContact CD2-CB 4.12Å; Y107-F111 HydrophobicContact CD2-CD1 4.26Å; Y107-F111 HydrophobicContact CD2-CD2 4.5Å; Y107-F111 HydrophobicContact CD2-CG 4.06Å; F111-M128 HydrophobicContact CE1-CE 4.08Å; F111-M128 HydrophobicContact CZ-CE 4.04Å; F111-N134 CarbonylContact O-C 3.6Å; F111-N136 HydrophobicContact CD1-CB 3.73Å; F111-N136 WeakPolarHBondContact CD1-O 3.49Å; F111-N136 HydrophobicContact CD2-CB 4.09Å; F111-N136 HydrophobicContact CE1-CB 3.41Å; F111-N136 VanDerWaalsContact CE1-CB 3.41Å; F111-N136 HydrophobicContact CE2-CB 3.79Å; F111-N136 HydrophobicContact CG-CB 4.07Å; F111-N136 HydrophobicContact CZ-CB 3.45Å; F111-N136 VanDerWaalsContact CZ-CB 3.45Å; F111-N136 PolarHBondContact N-O 2.67Å; F111-N136 WeakPolarHBondContact O-CB 3.17Å; F111-N136 PolarHBondContact O-N 2.67Å; F111-N136 PolarHBondContact O-ND2 3.23Å; F111-G137 WeakPolarHBondContact CE1-O 3.23Å
112	P	98.8	Very high	98.5	Very high	84 Å²	84	59.8 Å²	59.8	55%	0.545	31%	0.305	S	S	.	.			trans	-62.8	161.6	-177.7	-24.7	36.2	0	0	0	114.7	E114 N134 N136	P112-E114 PolarHBondContact O-N 3.36Å; P112-N134 WeakPolarHBondContact CA-OD1 3.33Å; P112-N134 HydrophobicContact CB-CB 4.37Å; P112-N134 WeakPolarHBondContact CB-OD1 3.18Å; P112-N136 PolarHBondContact O-ND2 2.83Å; P112-N136 VanDerWaalsContact O-ND2 3.17Å
113	D	98.8	Very high	98.5	Very high	25 Å²	25	63 Å²	63	13%	0.134	32%	0.323	C	S	.	.			trans	-68.4	117.3	167	-62	-50.1	0	0	0	109	F116 P133 N134 N136 V155	D113-F116 HydrophobicContact CB-CE1 4.19Å; D113-F116 HydrophobicContact CB-CE2 4.11Å; D113-F116 HydrophobicContact CB-CZ 3.56Å; D113-P133 WeakPolarHBondContact OD2-CA 3.28Å; D113-N134 PolarHBondContact N-OD1 3.21Å; D113-N134 PolarHBondContact OD2-N 3.44Å; D113-N136 WeakPolarHBondContact CA-ND2 3.3Å; D113-N136 PolarHBondContact N-ND2 3.47Å; D113-N136 PolarHBondContact OD1-ND2 2.83Å; D113-V155 HydrophobicContact CB-CG2 3.96Å
114	E	98.6	Very high	98.5	Very high	52 Å²	52	62.4 Å²	62.4	24%	0.243	32%	0.317	C	S	.	.			trans	-70.6	-49.2	-172.7	-175.8	165.9	-160.5	0	0	112.5	V57 P58 K59 T60 P112	V57-E114 VanDerWaalsContact C-CD 3.5Å; V57-E114 VanDerWaalsContact CA-CD 3.49Å; V57-E114 VanDerWaalsContact CA-OE2 3.29Å; V57-E114 WeakPolarHBondContact CA-OE2 3.47Å; V57-E114 HydrophobicContact CB-CG 4.45Å; V57-E114 WeakPolarHBondContact CB-OE2 3.43Å; V57-E114 HydrophobicContact CG1-CB 4.36Å; V57-E114 HydrophobicContact CG1-CG 4.29Å; P58-E114 WeakPolarHBondContact CD-OE1 3.43Å; P58-E114 WeakPolarHBondContact CG-OE1 3.5Å; K59-E114 PolarHBondContact N-OE1 3.03Å; K59-E114 PolarHBondContact N-OE2 2.81Å; T60-E114 WeakPolarHBondContact CB-OE2 3.26Å; T60-E114 PolarHBondContact N-OE2 3.17Å; T60-E114 PolarHBondContact OG1-OE2 3.42Å; P112-E114 PolarHBondContact O-N 3.36Å
115	N	98.6	Very high	98.5	Very high	35 Å²	35	60 Å²	60	19%	0.187	31%	0.307	C	S	.	.			trans	-169.9	173.9	165.3	63.2	80.4	0	0	0	110.4	V56 V57 K117	V56-N115 PolarHBondContact O-ND2 3.17Å; V57-N115 WeakPolarHBondContact CG1-ND2 3.25Å; N115-K117 HydrophobicContact CB-CG 4.42Å; N115-K117 WeakPolarHBondContact OD1-CB 3.49Å; N115-K117 WeakPolarHBondContact OD1-CG 3.31Å; N115-K117 PolarHBondContact OD1-N 3.49Å; N115-K117 VanDerWaalsContact OD1-N 3.13Å
116	F	98.6	Very high	98.6	Very high	65 Å²	65	59.9 Å²	59.9	29%	0.285	31%	0.307	S	S	.	.			trans	-122.1	35	177.7	-56.3	-70.1	0	0	0	112.8	D113 K119 G152 V155	D113-F116 HydrophobicContact CB-CE1 4.19Å; D113-F116 HydrophobicContact CB-CE2 4.11Å; D113-F116 HydrophobicContact CB-CZ 3.56Å; F116-K119 PolarHBondContact O-NZ 3.49Å; F116-G152 WeakPolarHBondContact CE2-O 3.14Å; F116-G152 WeakPolarHBondContact CZ-O 3.34Å; F116-V155 HydrophobicContact CD1-CG2 4.4Å; F116-V155 HydrophobicContact CE1-CG2 3.99Å
117	K	98.7	Very high	98.6	Very high	157 Å²	157	58.3 Å²	58.3	68%	0.683	30%	0.299	S	S	*	.			trans	-65.5	-44.3	-180	-69.3	175.2	180	176	0	111.4	V56 N115	V56-K117 HydrophobicContact CG1-CB 4.13Å; V56-K117 HydrophobicContact CG1-CD 4.03Å; N115-K117 HydrophobicContact CB-CG 4.42Å; N115-K117 WeakPolarHBondContact OD1-CB 3.49Å; N115-K117 WeakPolarHBondContact OD1-CG 3.31Å; N115-K117 PolarHBondContact OD1-N 3.49Å; N115-K117 VanDerWaalsContact OD1-N 3.13Å
118	L	98.6	Very high	98.6	Very high	51 Å²	51	53.2 Å²	53.2	27%	0.267	28%	0.279	S	S	.	.	S	Bend	trans	-79.4	153.5	176.7	-60.1	178.7	0	0	0	111.2	N53 V56 V156	N53-L118 HydrophobicContact CB-CD1 3.83Å; N53-L118 VanDerWaalsContact ND2-CD1 3.3Å; N53-L118 WeakPolarHBondContact ND2-CD1 3.45Å; V56-L118 HydrophobicContact CB-CD1 4.28Å; V56-L118 HydrophobicContact CG1-CD1 4.23Å; V56-L118 HydrophobicContact CG1-CD2 4.49Å; V56-L118 HydrophobicContact CG1-CG 4.02Å; L118-V156 HydrophobicContact CB-CB 3.7Å; L118-V156 HydrophobicContact CB-CG1 3.72Å; L118-V156 HydrophobicContact CD1-CG1 4.26Å
119	K	98.8	Very high	98.6	Very high	85 Å²	85	52 Å²	52	37%	0.37	27%	0.266	S	S	.	.			trans	-129.5	159	-171.5	-56.3	-61.4	176	-164.8	0	111.4	F116 T121 D151	F116-K119 PolarHBondContact O-NZ 3.49Å; K119-T121 HydrophobicContact CB-CG2 4.05Å; K119-T121 PolarHBondContact O-N 2.86Å; K119-D151 WeakPolarHBondContact CA-OD1 3.49Å; K119-D151 HydrophobicContact CD-CB 3.96Å; K119-D151 WeakPolarHBondContact CD-OD2 3.15Å
120	H	98.8	Very high	98.6	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.009	24%	0.241	C	C	.	.			trans	-83.1	68.3	179.7	-56.7	82	0	0	0	111.2	G122 S127 F141 K146 T147 D151 V156	H120-G122 VanDerWaalsContact C-N 3.34Å; H120-G122 PolarHBondContact O-N 2.84Å; H120-S127 WeakPolarHBondContact NE2-CB 3.42Å; H120-S127 PolarHBondContact NE2-OG 3.13Å; H120-F141 AromaticContact CD2-CE2 3.89Å; H120-F141 AromaticContact NE2-CE2 3.93Å; H120-F141 AromaticContact NE2-CZ 3.59Å; H120-K146 VanDerWaalsContact O-CG 3.31Å; H120-K146 WeakPolarHBondContact O-CG 3.21Å; H120-T147 VanDerWaalsContact CB-OG1 3.24Å; H120-T147 WeakPolarHBondContact CB-OG1 3.22Å; H120-T147 PolarHBondContact O-N 2.95Å; H120-D151 IonicContact CE1-OD1 3.86Å; H120-D151 IonicContact CG-OD1 3.83Å; H120-D151 PolarHBondContact N-OD1 2.93Å; H120-D151 IonicContact ND1-OD1 3.94Å; H120-D151 PolarHBondContact ND1-OD1 3.19Å; H120-V156 VanDerWaalsContact CE1-CG2 3.47Å; H120-V156 WeakPolarHBondContact CE1-CG2 3.44Å; H120-V156 WeakPolarHBondContact NE2-CG2 3.29Å
121	T	98.6	Very high	98.6	Very high	98 Å²	98	43.7 Å²	43.7	60%	0.601	25%	0.246	S	C	*	.			trans	-74.4	-16.4	-167.9	53.2	0	0	0	0	115	K119	K119-T121 HydrophobicContact CB-CG2 4.05Å; K119-T121 PolarHBondContact O-N 2.86Å
122	G	98.4	Very high	98.5	Very high	10 Å²	10	44.4 Å²	44.4	10%	0.103	26%	0.256	C	S	.	.	S	Bend	trans	172.2	-169.9	-179.9	0	0	0	0	0	115.3	H120 I125 T145	H120-G122 VanDerWaalsContact C-N 3.34Å; H120-G122 PolarHBondContact O-N 2.84Å; G122-I125 VanDerWaalsContact O-CG1 3.28Å; G122-I125 WeakPolarHBondContact O-CG1 3.43Å; G122-I125 PolarHBondContact O-N 3.29Å; G122-T145 CarbonylContact C-O 3.5Å
123	P	98.8	Very high	98.5	Very high	83 Å²	83	45.3 Å²	45.3	54%	0.539	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	145.1	174.1	-19	29.7	0	0	0	112.1	I125 C143 T144 M164	P123-I125 VanDerWaalsContact C-N 3.32Å; P123-C143 CarbonylContact C-O 3.42Å; P123-C143 WeakPolarHBondContact CA-O 3.44Å; P123-T144 WeakPolarHBondContact CG-O 3.46Å; P123-M164 HydrophobicContact CB-CE 4.02Å
124	G	98.7	Very high	98.5	Very high	4 Å²	4	48.3 Å²	48.3	4%	0.041	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.1	-8.8	179.7	0	0	0	0	0	114.4	L126 C143 S159 V160	G124-L126 PolarHBondContact O-N 2.86Å; G124-C143 PolarHBondContact N-O 3.41Å; G124-S159 CarbonylContact O-C 3.55Å; G124-S159 VanDerWaalsContact O-CA 3.25Å; G124-S159 WeakPolarHBondContact O-CA 3.38Å; G124-V160 PolarHBondContact O-N 3.25Å
125	I	98.9	Very high	98.4	Very high	21 Å²	21	47 Å²	47	11%	0.108	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	128.3	175.8	-67.7	-65.6	0	0	0	110.8	G122 P123 I142 C143 V156	G122-I125 VanDerWaalsContact O-CG1 3.28Å; G122-I125 WeakPolarHBondContact O-CG1 3.43Å; G122-I125 PolarHBondContact O-N 3.29Å; P123-I125 VanDerWaalsContact C-N 3.32Å; I125-I142 WeakPolarHBondContact O-CA 3.45Å; I125-C143 HydrophobicContact CB-CB 4.2Å; I125-C143 PolarHBondContact O-N 3.17Å; I125-C143 PolarHBondContact O-SG 2.89Å; I125-V156 HydrophobicContact CG2-CB 4.43Å; I125-V156 HydrophobicContact CG2-CG1 3.67Å; I125-V156 HydrophobicContact CG2-CG2 3.92Å
126	L	98.9	Very high	98.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	126	178.1	-179	67.9	0	0	0	110.1	F50 L52 F64 G124 F140 I142 F157 G158	F50-L126 HydrophobicContact CB-CD2 4.34Å; F50-L126 HydrophobicContact CD1-CD2 3.95Å; F50-L126 HydrophobicContact CE1-CD1 4.49Å; F50-L126 HydrophobicContact CG-CD2 4.25Å; L52-L126 HydrophobicContact CD2-CD2 3.97Å; F64-L126 HydrophobicContact CD1-CD2 4.39Å; F64-L126 HydrophobicContact CE1-CD2 3.93Å; F64-L126 HydrophobicContact CE2-CD1 4.37Å; F64-L126 HydrophobicContact CE2-CD2 4.33Å; F64-L126 HydrophobicContact CZ-CD1 4.23Å; F64-L126 HydrophobicContact CZ-CD2 3.88Å; G124-L126 PolarHBondContact O-N 2.86Å; L126-F140 HydrophobicContact CD1-CB 4.3Å; L126-F140 HydrophobicContact CD1-CD2 3.58Å; L126-F140 HydrophobicContact CD1-CE2 4.28Å; L126-F140 HydrophobicContact CD1-CG 4.23Å; L126-I142 HydrophobicContact CD1-CG1 3.78Å; L126-F157 HydrophobicContact CD1-CZ 4.01Å; L126-F157 HydrophobicContact CD2-CD2 4.08Å; L126-F157 HydrophobicContact CD2-CE2 3.3Å; L126-F157 HydrophobicContact CD2-CZ 3.62Å; L126-F157 HydrophobicContact CG-CD2 4.35Å; L126-F157 HydrophobicContact CG-CE1 4.01Å; L126-F157 HydrophobicContact CG-CE2 3.62Å; L126-F157 HydrophobicContact CG-CZ 3.43Å; L126-F157 VanDerWaalsContact CG-CZ 3.43Å; L126-F157 PolarHBondContact O-N 2.76Å; L126-G158 WeakPolarHBondContact CB-O 3.12Å; L126-G158 PolarHBondContact N-O 3.32Å; L126-G158 PolarHBondContact O-N 2.85Å
127	S	98.9	Very high	98.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	154.3	-170.8	-171.3	0	0	0	0	112.5	H120 F140 F141 H154 V155 F157	H120-S127 WeakPolarHBondContact NE2-CB 3.42Å; H120-S127 PolarHBondContact NE2-OG 3.13Å; S127-F140 CarbonylContact O-C 3.6Å; S127-F140 VanDerWaalsContact O-CA 3.28Å; S127-F140 WeakPolarHBondContact O-CA 3.48Å; S127-F141 VanDerWaalsContact CB-CZ 3.4Å; S127-F141 PolarHBondContact N-O 3.43Å; S127-F141 PolarHBondContact O-N 2.65Å; S127-F141 WeakPolarHBondContact OG-CZ 3.34Å; S127-H154 WeakPolarHBondContact OG-CB 3.35Å; S127-V155 WeakPolarHBondContact CA-O 3.36Å; S127-V155 PolarHBondContact OG-O 2.99Å; S127-V155 VanDerWaalsContact OG-O 3.11Å; S127-F157 VanDerWaalsContact C-CE1 3.41Å
128	M	98.9	Very high	98.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	130.4	-177.8	-70.5	-56.5	-64.1	0	0	111.5	T60 F111 N136 G137 Q139 F141 H154 V155 F157	T60-M128 HydrophobicContact CG2-CG 3.59Å; T60-M128 HydrophobicContact CG2-SD 3.95Å; F111-M128 HydrophobicContact CE1-CE 4.08Å; F111-M128 HydrophobicContact CZ-CE 4.04Å; M128-N136 WeakPolarHBondContact CB-OD1 3.5Å; M128-N136 HydrophobicContact CE-CB 3.98Å; M128-G137 WeakPolarHBondContact CE-O 3.38Å; M128-Q139 WeakPolarHBondContact CE-O 3.3Å; M128-F141 WeakPolarHBondContact O-CE1 3.45Å; M128-H154 PolarHBondContact O-ND1 3.31Å; M128-V155 HydrophobicContact CB-CB 4.48Å; M128-V155 HydrophobicContact CG-CB 4.33Å; M128-V155 PolarHBondContact N-O 3.15Å; M128-F157 HydrophobicContact CG-CD1 3.78Å; M128-F157 HydrophobicContact CG-CE1 3.78Å; M128-F157 HydrophobicContact SD-CD1 3.96Å; M128-F157 HydrophobicContact SD-CE1 3.45Å; M128-F157 WeakPolarHBondContact SD-CE1 3.46Å; M128-F157 HydrophobicContact SD-CZ 4.06Å
129	A	98.7	Very high	98.5	Very high	10 Å²	10	34 Å²	34	8%	0.083	22%	0.216	C	C	.	.			trans	-78.8	142	162.3	0	0	0	0	0	109.6	Q139 F141	A129-Q139 HydrophobicContact CB-CB 3.72Å; A129-Q139 PolarHBondContact N-O 3.09Å; A129-F141 HydrophobicContact CB-CD1 4.27Å
130	N	97.9	Very high	98.5	Very high	39 Å²	39	29.9 Å²	29.9	21%	0.209	20%	0.198	C	C	.	.			trans	-148.2	167.3	178.3	69.2	43.8	0	0	0	110.8	G132 T135 R153 H154	N130-G132 PolarHBondContact OD1-N 2.94Å; N130-G132 VanDerWaalsContact OD1-N 3.17Å; N130-T135 WeakPolarHBondContact CB-OG1 3.49Å; N130-R153 PolarHBondContact ND2-O 3.02Å; N130-H154 PolarHBondContact ND2-ND1 3.16Å; N130-H154 PolarHBondContact OD1-CE1 3.03Å
131	A	96.6	Very high	98.5	Very high	85 Å²	85	30.1 Å²	30.1	70%	0.702	20%	0.199	S	C	*	.	S	Bend	trans	-111	40.8	175.7	0	0	0	0	0	110.8	T135	A131-T135 PolarHBondContact N-OG1 3.32Å
132	G	97.1	Very high	98.5	Very high	26 Å²	26	25.5 Å²	25.5	27%	0.268	17%	0.171	S	C	.	.	S	Bend	trans	110.4	177	-173.3	0	0	0	0	0	113.2	N130 N134 T135	N130-G132 PolarHBondContact OD1-N 2.94Å; N130-G132 VanDerWaalsContact OD1-N 3.17Å; G132-N134 PolarHBondContact O-N 3.13Å; G132-T135 PolarHBondContact N-OG1 2.93Å; G132-T135 PolarHBondContact O-N 3.33Å; G132-T135 PolarHBondContact O-OG1 3.25Å
133	P	98.2	Very high	98.5	Very high	104 Å²	104	25 Å²	25	68%	0.675	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	138.2	-173.8	-26	34.5	0	0	0	112.8	D113 T135	D113-P133 WeakPolarHBondContact OD2-CA 3.28Å; P133-T135 VanDerWaalsContact C-N 3.31Å; P133-T135 PolarHBondContact O-N 2.86Å
134	N	98.1	Very high	98.5	Very high	87 Å²	87	21.9 Å²	21.9	47%	0.465	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	33.9	175.5	-54.1	-57.8	0	0	0	114.8	F111 P112 D113 G132	F111-N134 CarbonylContact O-C 3.6Å; P112-N134 WeakPolarHBondContact CA-OD1 3.33Å; P112-N134 HydrophobicContact CB-CB 4.37Å; P112-N134 WeakPolarHBondContact CB-OD1 3.18Å; D113-N134 PolarHBondContact N-OD1 3.21Å; D113-N134 PolarHBondContact OD2-N 3.44Å; G132-N134 PolarHBondContact O-N 3.13Å
135	T	98.6	Very high	98.5	Very high	24 Å²	24	24.1 Å²	24.1	15%	0.147	16%	0.158	C	C	.	.			trans	-119.1	27.3	179.1	65.5	0	0	0	0	113.8	N130 A131 G132 P133	N130-T135 WeakPolarHBondContact CB-OG1 3.49Å; A131-T135 PolarHBondContact N-OG1 3.32Å; G132-T135 PolarHBondContact N-OG1 2.93Å; G132-T135 PolarHBondContact O-N 3.33Å; G132-T135 PolarHBondContact O-OG1 3.25Å; P133-T135 VanDerWaalsContact C-N 3.31Å; P133-T135 PolarHBondContact O-N 2.86Å
136	N	98.9	Very high	98.5	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-64.6	135.3	177.6	-58.8	-60.4	0	0	0	110.4	R110 F111 P112 D113 M128	R110-N136 CarbonylContact C-O 3.55Å; R110-N136 WeakPolarHBondContact CA-O 3.28Å; F111-N136 HydrophobicContact CD1-CB 3.73Å; F111-N136 WeakPolarHBondContact CD1-O 3.49Å; F111-N136 HydrophobicContact CD2-CB 4.09Å; F111-N136 HydrophobicContact CE1-CB 3.41Å; F111-N136 VanDerWaalsContact CE1-CB 3.41Å; F111-N136 HydrophobicContact CE2-CB 3.79Å; F111-N136 HydrophobicContact CG-CB 4.07Å; F111-N136 HydrophobicContact CZ-CB 3.45Å; F111-N136 VanDerWaalsContact CZ-CB 3.45Å; F111-N136 PolarHBondContact N-O 2.67Å; F111-N136 WeakPolarHBondContact O-CB 3.17Å; F111-N136 PolarHBondContact O-N 2.67Å; F111-N136 PolarHBondContact O-ND2 3.23Å; P112-N136 PolarHBondContact O-ND2 2.83Å; P112-N136 VanDerWaalsContact O-ND2 3.17Å; D113-N136 WeakPolarHBondContact CA-ND2 3.3Å; D113-N136 PolarHBondContact N-ND2 3.47Å; D113-N136 PolarHBondContact OD1-ND2 2.83Å; M128-N136 WeakPolarHBondContact CB-OD1 3.5Å; M128-N136 HydrophobicContact CE-CB 3.98Å
137	G	98.8	Very high	98.5	Very high	9 Å²	9	28 Å²	28	9%	0.093	17%	0.174	C	C	.	.			trans	-129.2	-112.3	178.2	0	0	0	0	0	110.7	N63 F111 M128	N63-G137 PolarHBondContact ND2-O 3.29Å; N63-G137 VanDerWaalsContact ND2-O 3.09Å; F111-G137 WeakPolarHBondContact CE1-O 3.23Å; M128-G137 WeakPolarHBondContact CE-O 3.38Å
138	S	98.9	Very high	98.4	Very high	1 Å²	1	33 Å²	33	1%	0.007	20%	0.198	C	C	.	.	S	Bend	trans	-114.9	-10.5	171.8	56.7	0	0	0	0	113.9	Y76 G93 F95 G103 K104	Y76-S138 VanDerWaalsContact CE1-O 3.3Å; Y76-S138 WeakPolarHBondContact CE1-O 3.36Å; Y76-S138 PolarHBondContact OH-O 2.96Å; G93-S138 WeakPolarHBondContact CA-O 3.23Å; G93-S138 WeakPolarHBondContact O-CB 3.3Å; G93-S138 PolarHBondContact O-OG 3.18Å; F95-S138 VanDerWaalsContact CE1-OG 3.29Å; F95-S138 WeakPolarHBondContact CE1-OG 3.3Å; G103-S138 WeakPolarHBondContact CA-OG 3.49Å; K104-S138 PolarHBondContact N-OG 2.84Å; K104-S138 WeakPolarHBondContact O-CB 3.09Å
139	Q	98.9	Very high	98.4	Very high	25 Å²	25	39.9 Å²	39.9	12%	0.117	22%	0.224	C	C	.	.			trans	-73.4	140.2	-178.2	-66.6	-173.2	48.8	0	0	110.7	H82 Q91 G92 D94 G100 G102 M128 A129	H82-Q139 PolarHBondContact CE1-OE1 2.99Å; H82-Q139 PolarHBondContact NE2-OE1 3.47Å; Q91-Q139 VanDerWaalsContact NE2-OE1 3.13Å; G92-Q139 VanDerWaalsContact O-CA 3.28Å; G92-Q139 WeakPolarHBondContact O-CA 3.41Å; D94-Q139 HydrophobicContact CB-CG 4.08Å; G100-Q139 PolarHBondContact O-NE2 3.26Å; G102-Q139 PolarHBondContact O-NE2 2.89Å; M128-Q139 WeakPolarHBondContact CE-O 3.3Å; A129-Q139 HydrophobicContact CB-CB 3.72Å; A129-Q139 PolarHBondContact N-O 3.09Å
140	F	98.9	Very high	98.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	165.3	-178.7	67.2	-89.8	0	0	0	109.6	F36 F64 Y76 F81 Q91 G92 L126 S127 I142 F157 I186	F36-F140 HydrophobicContact CD2-CZ 4.44Å; F36-F140 HydrophobicContact CE2-CE1 4.15Å; F36-F140 AromaticContact CE2-CE2 3.93Å; F36-F140 HydrophobicContact CE2-CE2 3.93Å; F36-F140 AromaticContact CE2-CZ 3.44Å; F36-F140 HydrophobicContact CE2-CZ 3.44Å; F36-F140 VanDerWaalsContact CE2-CZ 3.44Å; F36-F140 HydrophobicContact CZ-CE1 4.19Å; F36-F140 AromaticContact CZ-CZ 3.94Å; F36-F140 HydrophobicContact CZ-CZ 3.94Å; F64-F140 HydrophobicContact CD2-CD1 4.49Å; F64-F140 HydrophobicContact CE2-CB 4Å; F64-F140 AromaticContact CE2-CD1 3.55Å; F64-F140 HydrophobicContact CE2-CD1 3.55Å; F64-F140 HydrophobicContact CE2-CD2 4.19Å; F64-F140 HydrophobicContact CE2-CE1 4.01Å; F64-F140 AromaticContact CE2-CG 3.65Å; F64-F140 HydrophobicContact CE2-CG 3.65Å; F64-F140 HydrophobicContact CZ-CD1 4.33Å; F64-F140 HydrophobicContact CZ-CE1 4.39Å; F64-F140 HydrophobicContact CZ-CG 4.38Å; Y76-F140 HydrophobicContact CD1-CE1 4.25Å; Y76-F140 HydrophobicContact CE1-CD1 4.12Å; Y76-F140 HydrophobicContact CE1-CE1 4.03Å; F81-F140 AromaticContact CE1-CE2 3.85Å; F81-F140 HydrophobicContact CE1-CE2 3.85Å; F81-F140 HydrophobicContact CE1-CZ 4.09Å; F81-F140 HydrophobicContact CZ-CE2 4.23Å; F81-F140 HydrophobicContact CZ-CZ 4.18Å; Q91-F140 VanDerWaalsContact CA-O 3.31Å; Q91-F140 WeakPolarHBondContact CA-O 3.06Å; Q91-F140 WeakPolarHBondContact CG-O 3.18Å; G92-F140 PolarHBondContact N-O 3.37Å; G92-F140 PolarHBondContact O-N 2.81Å; G92-F140 VanDerWaalsContact O-N 3.13Å; L126-F140 HydrophobicContact CD1-CB 4.3Å; L126-F140 HydrophobicContact CD1-CD2 3.58Å; L126-F140 HydrophobicContact CD1-CE2 4.28Å; L126-F140 HydrophobicContact CD1-CG 4.23Å; S127-F140 CarbonylContact O-C 3.6Å; S127-F140 VanDerWaalsContact O-CA 3.28Å; S127-F140 WeakPolarHBondContact O-CA 3.48Å; F140-I142 HydrophobicContact CD2-CG1 4.27Å; F140-I142 HydrophobicContact CE2-CD1 4.12Å; F140-I142 HydrophobicContact CE2-CG1 4.15Å; F140-F157 HydrophobicContact CB-CE1 4.49Å; F140-F157 HydrophobicContact CB-CZ 4.29Å; F140-I186 HydrophobicContact CZ-CD1 4.23Å
141	F	98.9	Very high	98.4	Very high	7 Å²	7	40.9 Å²	40.9	3%	0.031	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	151	166.9	62	-90.7	0	0	0	111.8	M89 C90 Q91 H120 S127 M128 A129 L150 H154	M89-F141 HydrophobicContact CB-CB 4.18Å; M89-F141 HydrophobicContact CB-CD2 4.05Å; M89-F141 HydrophobicContact CB-CG 4.48Å; M89-F141 HydrophobicContact CG-CB 4.24Å; M89-F141 HydrophobicContact CG-CD2 4.35Å; M89-F141 HydrophobicContact CG-CG 4.49Å; M89-F141 HydrophobicContact SD-CB 3.88Å; C90-F141 CarbonylContact O-C 3.53Å; C90-F141 VanDerWaalsContact O-CA 3.26Å; C90-F141 WeakPolarHBondContact O-CA 3.42Å; Q91-F141 HydrophobicContact CB-CB 4.06Å; H120-F141 AromaticContact CD2-CE2 3.89Å; H120-F141 AromaticContact NE2-CE2 3.93Å; H120-F141 AromaticContact NE2-CZ 3.59Å; S127-F141 VanDerWaalsContact CB-CZ 3.4Å; S127-F141 PolarHBondContact N-O 3.43Å; S127-F141 PolarHBondContact O-N 2.65Å; S127-F141 WeakPolarHBondContact OG-CZ 3.34Å; M128-F141 WeakPolarHBondContact O-CE1 3.45Å; A129-F141 HydrophobicContact CB-CD1 4.27Å; F141-L150 HydrophobicContact CE2-CD1 3.72Å; F141-L150 HydrophobicContact CZ-CD1 3.59Å; F141-H154 HydrophobicContact CE1-CB 4.08Å; F141-H154 AromaticContact CE1-CG 3.92Å; F141-H154 AromaticContact CE1-ND1 3.78Å; F141-H154 HydrophobicContact CZ-CB 3.98Å
142	I	98.9	Very high	98.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	121.2	173.7	-55.3	164.8	0	0	0	107.2	F50 F81 M89 C90 I125 L126 F140 V160 I167	F50-I142 HydrophobicContact CE1-CD1 3.61Å; F50-I142 HydrophobicContact CE1-CG1 4.09Å; F50-I142 HydrophobicContact CZ-CD1 3.69Å; F81-I142 HydrophobicContact CE1-CD1 4.05Å; F81-I142 HydrophobicContact CZ-CD1 4.27Å; M89-I142 CarbonylContact C-O 3.58Å; M89-I142 WeakPolarHBondContact CA-O 3.4Å; M89-I142 WeakPolarHBondContact CB-O 3.26Å; C90-I142 PolarHBondContact N-O 3.42Å; C90-I142 PolarHBondContact O-N 2.78Å; I125-I142 WeakPolarHBondContact O-CA 3.45Å; L126-I142 HydrophobicContact CD1-CG1 3.78Å; F140-I142 HydrophobicContact CD2-CG1 4.27Å; F140-I142 HydrophobicContact CE2-CD1 4.12Å; F140-I142 HydrophobicContact CE2-CG1 4.15Å; I142-V160 HydrophobicContact CG2-CG2 3.86Å; I142-I167 HydrophobicContact CD1-CD1 3.5Å; I142-I167 VanDerWaalsContact CD1-CD1 3.5Å; I142-I167 HydrophobicContact CD1-CG1 4.38Å; I142-I167 HydrophobicContact CG2-CG1 4.38Å; I142-I167 HydrophobicContact CG2-CG2 3.95Å
143	C	98.9	Very high	98.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	138.8	179.8	-58.2	0	0	0	0	110.6	P123 G124 I125 T145 T147	P123-C143 CarbonylContact C-O 3.42Å; P123-C143 WeakPolarHBondContact CA-O 3.44Å; G124-C143 PolarHBondContact N-O 3.41Å; I125-C143 HydrophobicContact CB-CB 4.2Å; I125-C143 PolarHBondContact O-N 3.17Å; I125-C143 PolarHBondContact O-SG 2.89Å; C143-T145 WeakPolarHBondContact CB-O 3.45Å; C143-T147 PolarHBondContact SG-OG1 3.09Å
144	T	98.8	Very high	98.6	Very high	17 Å²	17	42.1 Å²	42.1	10%	0.104	21%	0.205	C	C	.	.	S	Bend	trans	-108	-6	171.6	60.9	0	0	0	0	112.6	F88 P123 I167 E171	F88-T144 PolarHBondContact N-OG1 3.2Å; F88-T144 VanDerWaalsContact N-OG1 3.15Å; F88-T144 PolarHBondContact O-N 2.79Å; F88-T144 PolarHBondContact O-OG1 2.81Å; P123-T144 WeakPolarHBondContact CG-O 3.46Å; T144-I167 HydrophobicContact CG2-CG2 4.07Å; T144-E171 VanDerWaalsContact CB-CD 3.42Å; T144-E171 WeakPolarHBondContact CB-OE1 3.29Å; T144-E171 HydrophobicContact CG2-CB 4.12Å; T144-E171 HydrophobicContact CG2-CG 4.06Å; T144-E171 PolarHBondContact OG1-OE1 3.38Å
145	T	98.6	Very high	98.6	Very high	52 Å²	52	38 Å²	38	32%	0.319	18%	0.183	S	C	.	.	S	Bend	trans	-142.7	178.7	171.6	-170.4	0	0	0	0	109.8	Q87 G122 C143 T147	Q87-T145 WeakPolarHBondContact O-CG2 3.39Å; G122-T145 CarbonylContact C-O 3.5Å; C143-T145 WeakPolarHBondContact CB-O 3.45Å; T145-T147 HydrophobicContact CG2-CG2 4Å
146	K	98.4	Very high	98.7	Very high	101 Å²	101	37 Å²	37	44%	0.439	18%	0.178	S	C	.	.			trans	-70	130.2	168.6	-171.5	-173.4	-171.1	-157	0	109.9	H120 E148	H120-K146 VanDerWaalsContact O-CG 3.31Å; H120-K146 WeakPolarHBondContact O-CG 3.21Å; K146-E148 WeakPolarHBondContact CE-OE2 3.5Å; K146-E148 IonicContact NZ-OE2 3.9Å; K146-E148 PolarHBondContact NZ-OE2 3.36Å
147	T	97.9	Very high	98.7	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.178	C	C	.	.			trans	-128.5	49	-174.2	54.9	0	0	0	0	112.2	F88 H120 C143 T145 W149 L150	F88-T147 HydrophobicContact CD2-CG2 3.61Å; F88-T147 HydrophobicContact CE2-CG2 3.79Å; H120-T147 VanDerWaalsContact CB-OG1 3.24Å; H120-T147 WeakPolarHBondContact CB-OG1 3.22Å; H120-T147 PolarHBondContact O-N 2.95Å; C143-T147 PolarHBondContact SG-OG1 3.09Å; T145-T147 HydrophobicContact CG2-CG2 4Å; T147-W149 HydrophobicContact CG2-CH2 4.02Å; T147-W149 HydrophobicContact CG2-CZ2 3.78Å; T147-W149 PolarHBondContact O-N 3.15Å; T147-L150 WeakPolarHBondContact O-CB 3.32Å; T147-L150 PolarHBondContact O-N 2.98Å
148	E	98.2	Very high	98.7	Very high	106 Å²	106	36.6 Å²	36.6	50%	0.495	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-58.4	-22.7	-172.6	68.8	-168.2	167.1	0	0	115	K146 L150 D151	K146-E148 WeakPolarHBondContact CE-OE2 3.5Å; K146-E148 IonicContact NZ-OE2 3.9Å; K146-E148 PolarHBondContact NZ-OE2 3.36Å; E148-L150 PolarHBondContact O-N 2.98Å; E148-L150 VanDerWaalsContact O-N 3.13Å; E148-D151 VanDerWaalsContact O-CB 3.25Å; E148-D151 WeakPolarHBondContact O-CB 3.32Å; E148-D151 PolarHBondContact O-N 2.88Å
149	W	98.4	Very high	98.6	Very high	144 Å²	144	38.5 Å²	38.5	55%	0.545	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-65.4	-12.6	174.5	58.1	85.6	0	0	0	113.7	F88 T147	F88-W149 AromaticContact CD2-CZ2 3.84Å; F88-W149 HydrophobicContact CD2-CZ2 3.84Å; F88-W149 AromaticContact CE2-CZ2 3.8Å; F88-W149 HydrophobicContact CE2-CZ2 3.8Å; F88-W149 AromaticContact CE2-NE1 3.86Å; T147-W149 HydrophobicContact CG2-CH2 4.02Å; T147-W149 HydrophobicContact CG2-CZ2 3.78Å; T147-W149 PolarHBondContact O-N 3.15Å
150	L	98.4	Very high	98.6	Very high	21 Å²	21	38.4 Å²	38.4	11%	0.11	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-90.2	-7.8	174.2	-57.3	-176.8	0	0	0	113.1	F88 F141 T147 E148 G152 R153 H154	F88-L150 HydrophobicContact CE2-CD1 4.01Å; F88-L150 HydrophobicContact CZ-CD1 4.31Å; F141-L150 HydrophobicContact CE2-CD1 3.72Å; F141-L150 HydrophobicContact CZ-CD1 3.59Å; T147-L150 WeakPolarHBondContact O-CB 3.32Å; T147-L150 PolarHBondContact O-N 2.98Å; E148-L150 PolarHBondContact O-N 2.98Å; E148-L150 VanDerWaalsContact O-N 3.13Å; L150-G152 PolarHBondContact O-N 3.13Å; L150-R153 PolarHBondContact O-N 2.95Å; L150-R153 VanDerWaalsContact O-N 3.11Å; L150-H154 PolarHBondContact O-N 2.88Å
151	D	98.6	Very high	98.6	Very high	50 Å²	50	41.7 Å²	41.7	27%	0.267	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	135.6	-179.7	-71.2	-17.2	0	0	0	111.5	K119 H120 E148 R153	K119-D151 WeakPolarHBondContact CA-OD1 3.49Å; K119-D151 HydrophobicContact CD-CB 3.96Å; K119-D151 WeakPolarHBondContact CD-OD2 3.15Å; H120-D151 IonicContact CE1-OD1 3.86Å; H120-D151 IonicContact CG-OD1 3.83Å; H120-D151 PolarHBondContact N-OD1 2.93Å; H120-D151 IonicContact ND1-OD1 3.94Å; H120-D151 PolarHBondContact ND1-OD1 3.19Å; E148-D151 VanDerWaalsContact O-CB 3.25Å; E148-D151 WeakPolarHBondContact O-CB 3.32Å; E148-D151 PolarHBondContact O-N 2.88Å; D151-R153 PolarHBondContact O-N 3.47Å
152	G	98.3	Very high	98.6	Very high	37 Å²	37	46.6 Å²	46.6	38%	0.381	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.6	2.5	-176.8	0	0	0	0	0	114.8	F116 L150	F116-G152 WeakPolarHBondContact CE2-O 3.14Å; F116-G152 WeakPolarHBondContact CZ-O 3.34Å; L150-G152 PolarHBondContact O-N 3.13Å
153	R	98.4	Very high	98.5	Very high	172 Å²	172	47.3 Å²	47.3	65%	0.649	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121.6	-29.4	179.5	-59.5	177.6	-175.1	-94.8	-0.6	113.2	N130 L150 D151	N130-R153 PolarHBondContact ND2-O 3.02Å; L150-R153 PolarHBondContact O-N 2.95Å; L150-R153 VanDerWaalsContact O-N 3.11Å; D151-R153 PolarHBondContact O-N 3.47Å
154	H	98.8	Very high	98.5	Very high	31 Å²	31	49.4 Å²	49.4	14%	0.144	25%	0.246	C	C	.	.	S	Bend	trans	-124.5	132.3	178.5	-64.6	-86.3	0	0	0	109.7	S127 M128 N130 F141 L150 V156	S127-H154 WeakPolarHBondContact OG-CB 3.35Å; M128-H154 PolarHBondContact O-ND1 3.31Å; N130-H154 PolarHBondContact ND2-ND1 3.16Å; N130-H154 PolarHBondContact OD1-CE1 3.03Å; F141-H154 HydrophobicContact CE1-CB 4.08Å; F141-H154 AromaticContact CE1-CG 3.92Å; F141-H154 AromaticContact CE1-ND1 3.78Å; F141-H154 HydrophobicContact CZ-CB 3.98Å; L150-H154 PolarHBondContact O-N 2.88Å; H154-V156 PolarHBondContact O-N 3.02Å
155	V	98.9	Very high	98.5	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.27	C	S	.	.			trans	-75.9	112.2	179.6	-179.3	0	0	0	0	108.7	V57 T60 D113 F116 S127 M128	V57-V155 HydrophobicContact CG1-CG1 3.96Å; T60-V155 HydrophobicContact CG2-CG1 4.09Å; D113-V155 HydrophobicContact CB-CG2 3.96Å; F116-V155 HydrophobicContact CD1-CG2 4.4Å; F116-V155 HydrophobicContact CE1-CG2 3.99Å; S127-V155 WeakPolarHBondContact CA-O 3.36Å; S127-V155 PolarHBondContact OG-O 2.99Å; S127-V155 VanDerWaalsContact OG-O 3.11Å; M128-V155 HydrophobicContact CB-CB 4.48Å; M128-V155 HydrophobicContact CG-CB 4.33Å; M128-V155 PolarHBondContact N-O 3.15Å
156	V	98.9	Very high	98.5	Very high	5 Å²	5	51.8 Å²	51.8	3%	0.03	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	128.9	168.5	173.4	0	0	0	0	108.4	L118 H120 I125 H154	L118-V156 HydrophobicContact CB-CB 3.7Å; L118-V156 HydrophobicContact CB-CG1 3.72Å; L118-V156 HydrophobicContact CD1-CG1 4.26Å; H120-V156 VanDerWaalsContact CE1-CG2 3.47Å; H120-V156 WeakPolarHBondContact CE1-CG2 3.44Å; H120-V156 WeakPolarHBondContact NE2-CG2 3.29Å; I125-V156 HydrophobicContact CG2-CB 4.43Å; I125-V156 HydrophobicContact CG2-CG1 3.67Å; I125-V156 HydrophobicContact CG2-CG2 3.92Å; H154-V156 PolarHBondContact O-N 3.02Å
157	F	98.9	Very high	98.6	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	1.1	-173	68.9	-92.4	0	0	0	115.1	L52 N53 V57 T60 F64 L126 S127 M128 F140	L52-F157 HydrophobicContact CD2-CD2 4.2Å; L52-F157 HydrophobicContact CD2-CE2 4.15Å; N53-F157 PolarHBondContact N-O 3.26Å; V57-F157 HydrophobicContact CG2-CB 3.55Å; T60-F157 HydrophobicContact CG2-CB 3.58Å; T60-F157 HydrophobicContact CG2-CD1 3.75Å; T60-F157 HydrophobicContact CG2-CD2 4.42Å; T60-F157 HydrophobicContact CG2-CG 3.68Å; F64-F157 HydrophobicContact CB-CD2 4.27Å; F64-F157 HydrophobicContact CB-CE2 3.58Å; F64-F157 HydrophobicContact CB-CZ 4.19Å; F64-F157 AromaticContact CD1-CE2 3.94Å; F64-F157 HydrophobicContact CD1-CE2 3.94Å; F64-F157 AromaticContact CD2-CE2 3.47Å; F64-F157 HydrophobicContact CD2-CE2 3.47Å; F64-F157 VanDerWaalsContact CD2-CE2 3.47Å; F64-F157 AromaticContact CD2-CZ 3.35Å; F64-F157 HydrophobicContact CD2-CZ 3.35Å; F64-F157 HydrophobicContact CE1-CE2 4.47Å; F64-F157 HydrophobicContact CE2-CE2 4.06Å; F64-F157 AromaticContact CE2-CZ 3.75Å; F64-F157 HydrophobicContact CE2-CZ 3.75Å; F64-F157 HydrophobicContact CG-CD2 4.46Å; F64-F157 AromaticContact CG-CE2 3.39Å; F64-F157 HydrophobicContact CG-CE2 3.39Å; F64-F157 AromaticContact CG-CZ 3.81Å; F64-F157 HydrophobicContact CG-CZ 3.81Å; F64-F157 HydrophobicContact CZ-CZ 4.5Å; L126-F157 HydrophobicContact CD1-CZ 4.01Å; L126-F157 HydrophobicContact CD2-CD2 4.08Å; L126-F157 HydrophobicContact CD2-CE2 3.3Å; L126-F157 HydrophobicContact CD2-CZ 3.62Å; L126-F157 HydrophobicContact CG-CD2 4.35Å; L126-F157 HydrophobicContact CG-CE1 4.01Å; L126-F157 HydrophobicContact CG-CE2 3.62Å; L126-F157 HydrophobicContact CG-CZ 3.43Å; L126-F157 VanDerWaalsContact CG-CZ 3.43Å; L126-F157 PolarHBondContact O-N 2.76Å; S127-F157 VanDerWaalsContact C-CE1 3.41Å; M128-F157 HydrophobicContact CG-CD1 3.78Å; M128-F157 HydrophobicContact CG-CE1 3.78Å; M128-F157 HydrophobicContact SD-CD1 3.96Å; M128-F157 HydrophobicContact SD-CE1 3.45Å; M128-F157 WeakPolarHBondContact SD-CE1 3.46Å; M128-F157 HydrophobicContact SD-CZ 4.06Å; F140-F157 HydrophobicContact CB-CE1 4.49Å; F140-F157 HydrophobicContact CB-CZ 4.29Å
158	G	98.8	Very high	98.6	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.5	-171.5	175.5	0	0	0	0	0	112.4	E51 L126	E51-G158 CarbonylContact O-C 3.49Å; E51-G158 WeakPolarHBondContact O-CA 3.17Å; L126-G158 WeakPolarHBondContact CB-O 3.12Å; L126-G158 PolarHBondContact N-O 3.32Å; L126-G158 PolarHBondContact O-N 2.85Å
159	S	98.8	Very high	98.6	Very high	41 Å²	41	52.7 Å²	52.7	29%	0.287	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	154.4	173.6	49.6	0	0	0	0	111.4	F50 E51 G124 N161	F50-S159 CarbonylContact C-O 3.49Å; F50-S159 VanDerWaalsContact CA-O 3.26Å; F50-S159 WeakPolarHBondContact CA-O 3.28Å; E51-S159 PolarHBondContact N-O 3.21Å; E51-S159 PolarHBondContact O-N 2.71Å; G124-S159 CarbonylContact O-C 3.55Å; G124-S159 VanDerWaalsContact O-CA 3.25Å; G124-S159 WeakPolarHBondContact O-CA 3.38Å; S159-N161 PolarHBondContact O-N 2.83Å
160	V	98.8	Very high	98.6	Very high	22 Å²	22	45.8 Å²	45.8	13%	0.133	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	122.5	166.7	176.4	0	0	0	0	108.6	V48 T49 F50 G124 I142 E162 M164 I167	V48-V160 HydrophobicContact CG1-CG1 3.9Å; V48-V160 HydrophobicContact CG1-CG2 4.08Å; T49-V160 CarbonylContact O-C 3.57Å; F50-V160 HydrophobicContact CD1-CG2 3.93Å; F50-V160 HydrophobicContact CE1-CG2 3.64Å; G124-V160 PolarHBondContact O-N 3.25Å; I142-V160 HydrophobicContact CG2-CG2 3.86Å; V160-E162 WeakPolarHBondContact CG1-O 3.5Å; V160-M164 HydrophobicContact CB-SD 4.33Å; V160-M164 HydrophobicContact CG1-CB 4.21Å; V160-M164 HydrophobicContact CG1-SD 4.31Å; V160-M164 HydrophobicContact CG2-SD 4.24Å; V160-I167 HydrophobicContact CG2-CG1 4.28Å
161	N	97.5	Very high	98.7	Very high	70 Å²	70	46.2 Å²	46.2	37%	0.374	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-45.1	173.4	175.2	74.6	0	0	0	110.6	R33 T49 S159	R33-N161 PolarHBondContact NH2-ND2 3.21Å; T49-N161 PolarHBondContact O-N 2.91Å; T49-N161 PolarHBondContact OG1-ND2 2.79Å; S159-N161 PolarHBondContact O-N 2.83Å
162	E	98.6	Very high	98.7	Very high	110 Å²	110	47.9 Å²	47.9	51%	0.514	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	157.5	174.2	-62.8	155.8	174.2	0	0	110.7	R33 V48 T49 V160	R33-E162 IonicContact NH2-OE1 2.96Å; R33-E162 IonicContact NH2-OE2 2.71Å; V48-E162 WeakPolarHBondContact CA-O 3.29Å; V48-E162 WeakPolarHBondContact CG1-O 3.37Å; T49-E162 PolarHBondContact N-O 3.46Å; T49-E162 PolarHBondContact O-N 2.94Å; T49-E162 VanDerWaalsContact OG1-CB 3.31Å; T49-E162 WeakPolarHBondContact OG1-CB 3.4Å; T49-E162 PolarHBondContact OG1-N 3Å; T49-E162 VanDerWaalsContact OG1-N 3.17Å; T49-E162 PolarHBondContact OG1-OE2 3.16Å; V160-E162 WeakPolarHBondContact CG1-O 3.5Å
163	G	98.6	Very high	98.7	Very high	14 Å²	14	48.2 Å²	48.2	14%	0.144	24%	0.239	C	C	.	.			trans	87.7	25.5	176.1	0	0	0	0	0	114.7	D165 V166 I167	G163-D165 WeakPolarHBondContact CA-OD1 3.34Å; G163-D165 PolarHBondContact O-N 3.02Å; G163-V166 WeakPolarHBondContact O-CB 3.36Å; G163-V166 PolarHBondContact O-N 2.88Å; G163-V166 VanDerWaalsContact O-N 3.08Å; G163-I167 PolarHBondContact O-N 3.35Å
164	M	98.7	Very high	98.7	Very high	45 Å²	45	40.8 Å²	40.8	22%	0.222	22%	0.216	C	C	.	.	H	α-helix	trans	-63.9	-27.5	176.9	-168.3	63.4	-148.5	0	0	112.6	P123 V160 V166 I167 K168	P123-M164 HydrophobicContact CB-CE 4.02Å; V160-M164 HydrophobicContact CB-SD 4.33Å; V160-M164 HydrophobicContact CG1-CB 4.21Å; V160-M164 HydrophobicContact CG1-SD 4.31Å; V160-M164 HydrophobicContact CG2-SD 4.24Å; M164-V166 VanDerWaalsContact C-N 3.34Å; M164-I167 HydrophobicContact CE-CB 4.02Å; M164-I167 HydrophobicContact CE-CG2 3.69Å; M164-I167 PolarHBondContact O-N 3.18Å; M164-I167 HydrophobicContact SD-CB 4.16Å; M164-I167 HydrophobicContact SD-CG2 4.33Å; M164-K168 WeakPolarHBondContact O-CG 3.33Å; M164-K168 PolarHBondContact O-N 2.96Å
165	D	98.8	Very high	98.7	Very high	114 Å²	114	41.1 Å²	41.1	61%	0.61	22%	0.222	S	C	*	.	H	α-helix	trans	-63.3	-37.8	171	62.4	-54.4	0	0	0	112.3	G163 K168 K169	G163-D165 WeakPolarHBondContact CA-OD1 3.34Å; G163-D165 PolarHBondContact O-N 3.02Å; D165-K168 PolarHBondContact O-N 2.72Å; D165-K169 PolarHBondContact O-N 3.1Å
166	V	98.9	Very high	98.7	Very high	5 Å²	5	52.6 Å²	52.6	3%	0.03	27%	0.265	C	S	.	.	H	α-helix	trans	-63.9	-42.8	172.5	-177.4	0	0	0	0	110.3	I38 L45 V48 G163 M164 K168 K169 V170	I38-V166 HydrophobicContact CB-CG1 4.27Å; I38-V166 HydrophobicContact CD1-CG1 4.2Å; L45-V166 HydrophobicContact CB-CG1 3.9Å; V48-V166 HydrophobicContact CG2-CB 3.77Å; V48-V166 HydrophobicContact CG2-CG1 3.83Å; V48-V166 HydrophobicContact CG2-CG2 4.5Å; G163-V166 WeakPolarHBondContact O-CB 3.36Å; G163-V166 PolarHBondContact O-N 2.88Å; G163-V166 VanDerWaalsContact O-N 3.08Å; M164-V166 VanDerWaalsContact C-N 3.34Å; V166-K168 PolarHBondContact O-N 3.28Å; V166-K169 CarbonylContact O-C 3.59Å; V166-K169 WeakPolarHBondContact O-CB 3.43Å; V166-K169 PolarHBondContact O-N 3.3Å; V166-K169 VanDerWaalsContact O-N 3.12Å; V166-V170 WeakPolarHBondContact O-CG2 3.09Å; V166-V170 PolarHBondContact O-N 3.06Å
167	I	98.8	Very high	98.6	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.7	-41.5	175.7	-62.6	-56.4	0	0	0	111.7	I38 V48 I142 T144 V160 G163 M164 K169 V170 E171	I38-I167 HydrophobicContact CD1-CD1 4.29Å; V48-I167 HydrophobicContact CG1-CD1 4.16Å; V48-I167 HydrophobicContact CG1-CG1 4.05Å; V48-I167 HydrophobicContact CG2-CD1 3.81Å; V48-I167 HydrophobicContact CG2-CG1 4.05Å; I142-I167 HydrophobicContact CD1-CD1 3.5Å; I142-I167 VanDerWaalsContact CD1-CD1 3.5Å; I142-I167 HydrophobicContact CD1-CG1 4.38Å; I142-I167 HydrophobicContact CG2-CG1 4.38Å; I142-I167 HydrophobicContact CG2-CG2 3.95Å; T144-I167 HydrophobicContact CG2-CG2 4.07Å; V160-I167 HydrophobicContact CG2-CG1 4.28Å; G163-I167 PolarHBondContact O-N 3.35Å; M164-I167 HydrophobicContact CE-CB 4.02Å; M164-I167 HydrophobicContact CE-CG2 3.69Å; M164-I167 PolarHBondContact O-N 3.18Å; M164-I167 HydrophobicContact SD-CB 4.16Å; M164-I167 HydrophobicContact SD-CG2 4.33Å; I167-K169 VanDerWaalsContact C-N 3.27Å; I167-K169 PolarHBondContact O-N 2.92Å; I167-V170 WeakPolarHBondContact O-CB 3.41Å; I167-V170 PolarHBondContact O-N 3.39Å; I167-E171 WeakPolarHBondContact O-CB 3.42Å; I167-E171 PolarHBondContact O-N 2.95Å
168	K	98.8	Very high	98.6	Very high	130 Å²	130	56.1 Å²	56.1	57%	0.565	29%	0.291	S	S	*	.	H	α-helix	trans	-62.9	-34.1	173	-72.9	179.7	178.3	-178.8	0	112.4	M164 D165 V166 E171 S172	M164-K168 WeakPolarHBondContact O-CG 3.33Å; M164-K168 PolarHBondContact O-N 2.96Å; D165-K168 PolarHBondContact O-N 2.72Å; V166-K168 PolarHBondContact O-N 3.28Å; K168-E171 WeakPolarHBondContact O-CB 3.33Å; K168-E171 PolarHBondContact O-N 3.11Å; K168-S172 PolarHBondContact O-N 2.98Å; K168-S172 VanDerWaalsContact O-N 3.09Å
169	K	98.8	Very high	98.6	Very high	95 Å²	95	62.6 Å²	62.6	41%	0.413	32%	0.32	S	S	.	.	H	α-helix	trans	-71.2	-36	173.9	-165.7	172.8	-177.9	-171	0	112	L45 D165 V166 I167 S172 Y173	L45-K169 HydrophobicContact CD1-CG 4.49Å; L45-K169 HydrophobicContact CD2-CD 3.86Å; L45-K169 HydrophobicContact CD2-CG 4.29Å; D165-K169 PolarHBondContact O-N 3.1Å; V166-K169 CarbonylContact O-C 3.59Å; V166-K169 WeakPolarHBondContact O-CB 3.43Å; V166-K169 PolarHBondContact O-N 3.3Å; V166-K169 VanDerWaalsContact O-N 3.12Å; I167-K169 VanDerWaalsContact C-N 3.27Å; I167-K169 PolarHBondContact O-N 2.92Å; K169-S172 PolarHBondContact O-OG 2.9Å; K169-Y173 HydrophobicContact CG-CE2 4.24Å; K169-Y173 WeakPolarHBondContact O-CD2 3.35Å; K169-Y173 VanDerWaalsContact O-CE2 3.28Å; K169-Y173 WeakPolarHBondContact O-CE2 3.42Å
170	V	98.9	Very high	98.5	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-62.5	-45.7	169.9	170.4	0	0	0	0	110.4	I38 L45 F81 V84 C90 V166 I167 S172 Y173 I184	I38-V170 HydrophobicContact CD1-CG2 4.29Å; I38-V170 HydrophobicContact CG2-CG2 3.86Å; L45-V170 HydrophobicContact CD1-CG2 3.8Å; F81-V170 HydrophobicContact CG-CG1 4.39Å; V84-V170 HydrophobicContact CG2-CG1 4.15Å; C90-V170 HydrophobicContact CB-CG1 4.2Å; V166-V170 WeakPolarHBondContact O-CG2 3.09Å; V166-V170 PolarHBondContact O-N 3.06Å; I167-V170 WeakPolarHBondContact O-CB 3.41Å; I167-V170 PolarHBondContact O-N 3.39Å; V170-S172 VanDerWaalsContact C-N 3.29Å; V170-S172 PolarHBondContact O-N 2.89Å; V170-Y173 PolarHBondContact O-N 3.34Å; V170-Y173 VanDerWaalsContact O-N 3.15Å; V170-I184 HydrophobicContact CB-CG2 4.44Å; V170-I184 HydrophobicContact CG1-CG1 4.45Å; V170-I184 HydrophobicContact CG1-CG2 3.88Å; V170-I184 HydrophobicContact CG2-CG2 3.79Å
171	E	98.8	Very high	98.5	Very high	29 Å²	29	66 Å²	66	14%	0.136	34%	0.344	C	S	.	.	H	α-helix	trans	-56.4	-40.9	178.8	-177	-178.1	-151.8	0	0	112.6	P86 Q87 T144 I167 K168 Y173 G174	P86-E171 HydrophobicContact CB-CG 4.26Å; Q87-E171 WeakPolarHBondContact CA-OE1 3.36Å; Q87-E171 PolarHBondContact N-OE1 2.75Å; T144-E171 VanDerWaalsContact CB-CD 3.42Å; T144-E171 WeakPolarHBondContact CB-OE1 3.29Å; T144-E171 HydrophobicContact CG2-CB 4.12Å; T144-E171 HydrophobicContact CG2-CG 4.06Å; T144-E171 PolarHBondContact OG1-OE1 3.38Å; I167-E171 WeakPolarHBondContact O-CB 3.42Å; I167-E171 PolarHBondContact O-N 2.95Å; K168-E171 WeakPolarHBondContact O-CB 3.33Å; K168-E171 PolarHBondContact O-N 3.11Å; E171-Y173 PolarHBondContact O-N 2.89Å; E171-G174 PolarHBondContact O-N 3.36Å
172	S	98.8	Very high	98.6	Very high	85 Å²	85	65.8 Å²	65.8	59%	0.594	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-16.5	-178.6	74	0	0	0	0	114.1	K168 K169 V170 G174	K168-S172 PolarHBondContact O-N 2.98Å; K168-S172 VanDerWaalsContact O-N 3.09Å; K169-S172 PolarHBondContact O-OG 2.9Å; V170-S172 VanDerWaalsContact C-N 3.29Å; V170-S172 PolarHBondContact O-N 2.89Å; S172-G174 VanDerWaalsContact C-N 3.35Å
173	Y	98.8	Very high	98.6	Very high	44 Å²	44	66.7 Å²	66.7	17%	0.173	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-5.7	171.1	-60.9	-59.8	0	0	0	113.3	A40 L45 K169 V170 E171 T180 S181 K182 I184	A40-Y173 HydrophobicContact CB-CD2 4.29Å; A40-Y173 HydrophobicContact CB-CE2 3.74Å; L45-Y173 HydrophobicContact CD1-CE2 3.99Å; L45-Y173 HydrophobicContact CD2-CE2 4.16Å; K169-Y173 HydrophobicContact CG-CE2 4.24Å; K169-Y173 WeakPolarHBondContact O-CD2 3.35Å; K169-Y173 VanDerWaalsContact O-CE2 3.28Å; K169-Y173 WeakPolarHBondContact O-CE2 3.42Å; V170-Y173 PolarHBondContact O-N 3.34Å; V170-Y173 VanDerWaalsContact O-N 3.15Å; E171-Y173 PolarHBondContact O-N 2.89Å; Y173-T180 CarbonylContact O-C 3.49Å; Y173-T180 WeakPolarHBondContact O-CA 3.44Å; Y173-S181 PolarHBondContact O-N 2.96Å; Y173-S181 PolarHBondContact O-OG 3.07Å; Y173-K182 HydrophobicContact CD1-CB 4.3Å; Y173-K182 HydrophobicContact CD1-CD 3.94Å; Y173-K182 HydrophobicContact CD1-CG 3.84Å; Y173-K182 HydrophobicContact CE1-CD 3.54Å; Y173-K182 HydrophobicContact CE1-CG 3.98Å; Y173-K182 HydrophobicContact CG-CB 4.39Å; Y173-K182 HydrophobicContact CG-CG 4.41Å; Y173-I184 HydrophobicContact CD2-CD1 3.47Å; Y173-I184 VanDerWaalsContact CD2-CD1 3.47Å; Y173-I184 HydrophobicContact CE2-CD1 4.16Å; Y173-I184 HydrophobicContact CG-CD1 3.96Å
174	G	98.7	Very high	98.6	Very high	16 Å²	16	66.1 Å²	66.1	17%	0.165	33%	0.332	C	S	.	.			trans	-79.2	175.7	-180	0	0	0	0	0	114.3	V84 E171 S172	V84-G174 VanDerWaalsContact O-CA 3.31Å; V84-G174 WeakPolarHBondContact O-CA 3.38Å; E171-G174 PolarHBondContact O-N 3.36Å; S172-G174 VanDerWaalsContact C-N 3.35Å
175	S	98.8	Very high	98.6	Very high	38 Å²	38	64.9 Å²	64.9	27%	0.266	33%	0.327	S	S	.	.			trans	-142.3	167.8	176.1	70	0	0	0	0	111.3	V84 S177 G178 H179	V84-S175 PolarHBondContact O-N 3.29Å; V84-S175 VanDerWaalsContact O-N 3.12Å; S175-S177 PolarHBondContact O-N 2.89Å; S175-S177 VanDerWaalsContact O-N 3.15Å; S175-S177 PolarHBondContact OG-N 2.97Å; S175-S177 PolarHBondContact OG-OG 2.82Å; S175-G178 PolarHBondContact O-N 2.91Å; S175-H179 WeakPolarHBondContact CB-O 3.48Å; S175-H179 PolarHBondContact N-O 3.09Å; S175-H179 PolarHBondContact OG-N 3.47Å; S175-H179 PolarHBondContact OG-O 3.49Å
176	R	98	Very high	98.6	Very high	241 Å²	241	59.4 Å²	59.4	91%	0.909	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-28.2	174.8	-71	-176.9	64.1	-177.2	-0.5	113.4	G178	R176-G178 VanDerWaalsContact C-N 3.29Å
177	S	97.9	Very high	98.6	Very high	77 Å²	77	62.3 Å²	62.3	54%	0.538	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-11.5	177.3	72.9	0	0	0	0	113.4	S175 H179	S175-S177 PolarHBondContact O-N 2.89Å; S175-S177 VanDerWaalsContact O-N 3.15Å; S175-S177 PolarHBondContact OG-N 2.97Å; S175-S177 PolarHBondContact OG-OG 2.82Å; S177-H179 VanDerWaalsContact C-N 3.33Å; S177-H179 PolarHBondContact OG-N 2.73Å; S177-H179 PolarHBondContact OG-ND1 3.09Å
178	G	98.4	Very high	98.6	Very high	3 Å²	3	63.5 Å²	63.5	3%	0.031	33%	0.325	C	S	.	.	S	Bend	trans	90.3	-17.1	-172.2	0	0	0	0	0	114.5	R83 V84 S175 R176	R83-G178 CarbonylContact C-O 3.57Å; R83-G178 VanDerWaalsContact CA-O 3.28Å; R83-G178 WeakPolarHBondContact CA-O 3.4Å; V84-G178 PolarHBondContact N-O 2.75Å; V84-G178 CarbonylContact O-C 3.57Å; V84-G178 WeakPolarHBondContact O-CA 3.28Å; S175-G178 PolarHBondContact O-N 2.91Å; R176-G178 VanDerWaalsContact C-N 3.29Å
179	H	98.1	Very high	98.6	Very high	135 Å²	135	58.2 Å²	58.2	63%	0.625	30%	0.304	S	S	*	.			trans	-63.8	141.9	175.7	-66.3	87.2	0	0	0	111.1	S175 S177	S175-H179 WeakPolarHBondContact CB-O 3.48Å; S175-H179 PolarHBondContact N-O 3.09Å; S175-H179 PolarHBondContact OG-N 3.47Å; S175-H179 PolarHBondContact OG-O 3.49Å; S177-H179 VanDerWaalsContact C-N 3.33Å; S177-H179 PolarHBondContact OG-N 2.73Å; S177-H179 PolarHBondContact OG-ND1 3.09Å
180	T	98.5	Very high	98.6	Very high	41 Å²	41	54.1 Å²	54.1	25%	0.252	29%	0.289	S	S	.	.			trans	-95.9	143.4	175.2	56.7	0	0	0	0	111.2	V84 Y173 K182 I184	V84-T180 HydrophobicContact CB-CG2 3.76Å; V84-T180 HydrophobicContact CG2-CG2 3.5Å; V84-T180 VanDerWaalsContact CG2-CG2 3.5Å; Y173-T180 CarbonylContact O-C 3.49Å; Y173-T180 WeakPolarHBondContact O-CA 3.44Å; T180-K182 WeakPolarHBondContact CB-O 3.31Å; T180-K182 PolarHBondContact O-N 2.83Å; T180-K182 PolarHBondContact OG1-O 2.77Å; T180-I184 HydrophobicContact CG2-CG1 4.27Å
181	S	98.5	Very high	98.6	Very high	94 Å²	94	58.1 Å²	58.1	66%	0.657	31%	0.307	S	S	*	.	S	Bend	trans	-75.7	-14.7	175	67.2	0	0	0	0	113.3	Y173	Y173-S181 PolarHBondContact O-N 2.96Å; Y173-S181 PolarHBondContact O-OG 3.07Å
182	K	98.6	Very high	98.3	Very high	66 Å²	66	58.7 Å²	58.7	29%	0.287	31%	0.313	S	S	.	.	S	Bend	trans	-134.2	157.7	177.7	-65.8	-158.1	167	-142	0	110.2	A40 D41 Y173 T180 I184	A40-K182 HydrophobicContact CB-CB 4.11Å; A40-K182 HydrophobicContact CB-CD 3.77Å; D41-K182 WeakPolarHBondContact OD2-CB 3.49Å; D41-K182 WeakPolarHBondContact OD2-CD 3.2Å; D41-K182 WeakPolarHBondContact OD2-CG 3.18Å; D41-K182 IonicContact OD2-NZ 3.58Å; Y173-K182 HydrophobicContact CD1-CB 4.3Å; Y173-K182 HydrophobicContact CD1-CD 3.94Å; Y173-K182 HydrophobicContact CD1-CG 3.84Å; Y173-K182 HydrophobicContact CE1-CD 3.54Å; Y173-K182 HydrophobicContact CE1-CG 3.98Å; Y173-K182 HydrophobicContact CG-CB 4.39Å; Y173-K182 HydrophobicContact CG-CG 4.41Å; T180-K182 WeakPolarHBondContact CB-O 3.31Å; T180-K182 PolarHBondContact O-N 2.83Å; T180-K182 PolarHBondContact OG1-O 2.77Å; K182-I184 HydrophobicContact CB-CD1 3.95Å; K182-I184 PolarHBondContact O-N 2.97Å
183	R	98.6	Very high	97.2	Very high	129 Å²	129	66.9 Å²	66.9	49%	0.487	34%	0.342	S	S	.	.			trans	-78.9	102.8	170.8	-174.2	177.6	175.2	79.8	-0.6	109.7	A40 D41 T80	A40-R183 WeakPolarHBondContact CA-O 3.42Å; D41-R183 PolarHBondContact N-O 2.81Å; D41-R183 PolarHBondContact OD1-N 2.94Å; T80-R183 HydrophobicContact CG2-CG 4.11Å
184	I	98.8	Very high	97.1	Very high	1 Å²	1	68.1 Å²	68.1	1%	0.005	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	112.8	178.7	-46.1	-54.3	0	0	0	109.5	I38 A39 A40 T80 F81 V170 Y173 T180 K182	I38-I184 HydrophobicContact CG2-CG2 3.63Å; A39-I184 CarbonylContact O-C 3.52Å; A39-I184 WeakPolarHBondContact O-CA 3.31Å; A40-I184 HydrophobicContact CB-CD1 3.57Å; T80-I184 CarbonylContact C-O 3.5Å; T80-I184 WeakPolarHBondContact CA-O 3.49Å; T80-I184 WeakPolarHBondContact CB-O 3.39Å; T80-I184 WeakPolarHBondContact CG2-O 3.48Å; F81-I184 HydrophobicContact CB-CB 4.12Å; F81-I184 HydrophobicContact CB-CG2 4.22Å; F81-I184 HydrophobicContact CD2-CB 4.35Å; F81-I184 HydrophobicContact CD2-CG2 3.65Å; F81-I184 HydrophobicContact CE2-CG2 4.44Å; F81-I184 HydrophobicContact CG-CG2 4.25Å; F81-I184 PolarHBondContact N-O 2.95Å; V170-I184 HydrophobicContact CB-CG2 4.44Å; V170-I184 HydrophobicContact CG1-CG1 4.45Å; V170-I184 HydrophobicContact CG1-CG2 3.88Å; V170-I184 HydrophobicContact CG2-CG2 3.79Å; Y173-I184 HydrophobicContact CD2-CD1 3.47Å; Y173-I184 VanDerWaalsContact CD2-CD1 3.47Å; Y173-I184 HydrophobicContact CE2-CD1 4.16Å; Y173-I184 HydrophobicContact CG-CD1 3.96Å; T180-I184 HydrophobicContact CG2-CG1 4.27Å; K182-I184 HydrophobicContact CB-CD1 3.95Å; K182-I184 PolarHBondContact O-N 2.97Å
185	T	98.9	Very high	97	Very high	19 Å²	19	70.8 Å²	70.8	12%	0.117	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	140.7	-171.5	-52.2	0	0	0	0	111	I38 A39 S79 T187	I38-T185 WeakPolarHBondContact CA-O 3.22Å; A39-T185 PolarHBondContact N-O 2.93Å; A39-T185 PolarHBondContact O-N 2.96Å; S79-T185 WeakPolarHBondContact O-CA 3.4Å; T185-T187 PolarHBondContact O-N 3.06Å
186	I	98.9	Very high	96.9	Very high	0 Å²	0	72.6 Å²	72.6	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	100.6	166.7	-59.7	171.4	0	0	0	107	F36 D37 G78 S79 F81 F140 A188 C189	F36-I186 HydrophobicContact CB-CG2 4.16Å; F36-I186 HydrophobicContact CD1-CD1 4.24Å; F36-I186 HydrophobicContact CD1-CG2 3.75Å; F36-I186 HydrophobicContact CD2-CD1 3.96Å; F36-I186 HydrophobicContact CD2-CG1 4.4Å; F36-I186 HydrophobicContact CE1-CD1 4.16Å; F36-I186 HydrophobicContact CE1-CG2 4.35Å; F36-I186 HydrophobicContact CE2-CD1 3.89Å; F36-I186 HydrophobicContact CG-CD1 4.15Å; F36-I186 HydrophobicContact CG-CG1 4.34Å; F36-I186 HydrophobicContact CG-CG2 4.03Å; F36-I186 HydrophobicContact CZ-CD1 3.98Å; D37-I186 CarbonylContact O-C 3.59Å; D37-I186 WeakPolarHBondContact O-CA 3.13Å; G78-I186 WeakPolarHBondContact CA-O 3.39Å; G78-I186 PolarHBondContact N-O 3.04Å; S79-I186 PolarHBondContact O-N 2.92Å; F81-I186 HydrophobicContact CD2-CG1 4.47Å; F81-I186 HydrophobicContact CE2-CD1 4.17Å; F81-I186 HydrophobicContact CE2-CG1 3.81Å; F81-I186 HydrophobicContact CZ-CD1 4.49Å; F140-I186 HydrophobicContact CZ-CD1 4.23Å; I186-A188 WeakPolarHBondContact CG2-O 3.32Å; I186-C189 HydrophobicContact CG2-CB 3.88Å
187	T	98.8	Very high	96.9	Very high	66 Å²	66	62.7 Å²	62.7	41%	0.405	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	-32.3	-173.7	53.9	0	0	0	0	112.4	D37 A39 T185	D37-T187 PolarHBondContact O-N 3.01Å; D37-T187 PolarHBondContact O-OG1 3.07Å; A39-T187 HydrophobicContact CB-CG2 3.56Å; T185-T187 PolarHBondContact O-N 3.06Å
188	A	98.8	Very high	96.8	Very high	25 Å²	25	61.8 Å²	61.8	21%	0.207	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	152.6	170.3	0	0	0	0	0	110.2	Y35 D37 I186	Y35-A188 HydrophobicContact CE2-CB 4.46Å; D37-A188 HydrophobicContact CB-CB 4.1Å; D37-A188 PolarHBondContact N-O 3.18Å; I186-A188 WeakPolarHBondContact CG2-O 3.32Å
189	C	98.8	Very high	96.7	Very high	19 Å²	19	65.7 Å²	65.7	13%	0.128	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	159.1	176.6	57.4	0	0	0	0	109.8	Y35 F36 C68 K77 I186	Y35-C189 WeakPolarHBondContact O-CA 3.09Å; Y35-C189 WeakPolarHBondContact O-CB 3.48Å; F36-C189 HydrophobicContact CD1-CB 3.46Å; F36-C189 VanDerWaalsContact CD1-CB 3.46Å; F36-C189 HydrophobicContact CE1-CB 3.8Å; C68-C189 CarbonylContact O-C 3.52Å; C68-C189 PolarHBondContact O-SG 3.11Å; K77-C189 PolarHBondContact N-SG 3.21Å; I186-C189 HydrophobicContact CG2-CB 3.88Å
190	G	98.6	Very high	96.6	Very high	8 Å²	8	60.8 Å²	60.8	8%	0.082	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.6	-176.3	180	0	0	0	0	0	112.2	V34 Y35 C68	V34-G190 CarbonylContact C-O 3.33Å; V34-G190 VanDerWaalsContact CA-O 3.22Å; V34-G190 WeakPolarHBondContact CA-O 3.16Å; V34-G190 VanDerWaalsContact CB-O 3.32Å; V34-G190 WeakPolarHBondContact CB-O 3.45Å; Y35-G190 VanDerWaalsContact CD1-O 3.32Å; Y35-G190 WeakPolarHBondContact CD1-O 3.28Å; Y35-G190 PolarHBondContact N-O 3.19Å; Y35-G190 PolarHBondContact O-N 2.96Å; C68-G190 PolarHBondContact O-N 2.91Å
191	E	98.2	Very high	96.5	Very high	84 Å²	84	62.3 Å²	62.3	39%	0.393	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	148.1	172.1	-172.3	165.1	-168.5	0	0	110.2	R33 R65 T69	R33-E191 CarbonylContact O-C 3.48Å; R33-E191 WeakPolarHBondContact O-CA 3.2Å; R33-E191 WeakPolarHBondContact O-CG 3.18Å; R65-E191 WeakPolarHBondContact CD-OE1 3.29Å; R65-E191 VanDerWaalsContact CD-OE2 3.31Å; R65-E191 WeakPolarHBondContact CD-OE2 3.14Å; R65-E191 HydrophobicContact CG-CG 4.45Å; R65-E191 IonicContact CZ-OE2 3.98Å; R65-E191 IonicContact NE-OE2 2.9Å; R65-E191 IonicContact NH1-OE2 3.64Å; R65-E191 PolarHBondContact NH1-OE2 3.45Å; T69-E191 HydrophobicContact CG2-CB 3.91Å
192	V	93.3	Very high	96.3	Very high	42 Å²	42	59.7 Å²	59.7	26%	0.255	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	123.6	176.8	-173.1	0	0	0	0	107.5	R33 Y35	R33-V192 HydrophobicContact CB-CB 4.1Å; R33-V192 PolarHBondContact O-N 3.21Å; Y35-V192 HydrophobicContact CD1-CG2 3.71Å; Y35-V192 HydrophobicContact CG-CG2 4.32Å
193	E	75.2	Confident	96.1	Very high	257 Å²	257	59.1 Å²	59.1	100%	1.201	30%	0.298	S	S	*	.			trans	-70	0	174.1	-66.5	-176.9	172.1	0	0	113.1

Retrieved 193 of 193 residues in 306.5 ms (Link to these results)

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