A0A087YR57_POEFO Loading...

Superoxide dismutase [Cu-Zn]

Destroys radicals which are normally produced within the cells and which are toxic to biological systems. Protect the extracellular space from toxic effect of reactive oxygen intermediates by converting superoxide radicals into hydrogen peroxide and oxygen.

AlphaFold DB , UniProt , Accession A0A087YR57, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 215 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	39.4	Very low	40.1	Very low	248 Å²	248	158.1 Å²	158.1	100%	1.222	85%	0.85	S	S	*	*				0	129.1	0	-81.9	170.9	166.1	0	0	108.4
2	R	36.6	Very low	40.4	Very low	236 Å²	236	156.5 Å²	156.5	89%	0.891	85%	0.85	S	S	*	*			trans	18.6	115.4	165.6	-79.4	177.2	177.4	167.2	-1.3	118.9
3	V	40.1	Very low	41	Very low	122 Å²	122	151.5 Å²	151.5	74%	0.739	84%	0.842	S	S	*	*				74.4	130.2	86.7	171.7	0	0	0	0	109.8
4	N	35.2	Very low	41	Very low	122 Å²	122	152.1 Å²	152.1	65%	0.652	84%	0.842	S	S	*	*			cis	-171.3	141.5	27.9	-127.5	-7.1	0	0	0	108
5	R	42.2	Very low	41	Very low	226 Å²	226	152 Å²	152	85%	0.853	84%	0.839	S	S	*	*				88.6	142.9	98	-100.5	-175.3	-177.8	-164.7	-0.5	118.7
6	S	39.1	Very low	41.5	Very low	107 Å²	107	149.3 Å²	149.3	75%	0.748	83%	0.827	S	S	*	*			trans	94.3	137.3	144.8	-141.1	0	0	0	0	115.8
7	S	39.4	Very low	41.8	Very low	108 Å²	108	149.7 Å²	149.7	76%	0.755	83%	0.827	S	S	*	*			cis	-176.1	143.8	-9.6	36.8	0	0	0	0	106.9
8	S	42.9	Very low	42.1	Very low	122 Å²	122	150.1 Å²	150.1	85%	0.853	83%	0.826	S	S	*	*			trans	-81.8	137.5	-176.3	48.4	0	0	0	0	114.5
9	G	41.4	Very low	42.7	Very low	78 Å²	78	147.1 Å²	147.1	80%	0.804	82%	0.824	S	S	*	*			trans	49.3	104.8	138.5	0	0	0	0	0	120.1	Q11	G9-Q11 PolarHBondContact O-N 3.49Å
10	L	41.4	Very low	43.3	Very low	176 Å²	176	144.4 Å²	144.4	92%	0.921	82%	0.815	S	S	*	*			trans	-65.4	122.8	162.5	-92.3	76.4	0	0	0	111
11	Q	43.6	Very low	43.5	Very low	194 Å²	194	142.8 Å²	142.8	91%	0.907	81%	0.812	S	S	*	*			trans	-102.9	122.7	153.8	-97.7	-179.5	-23.1	0	0	108.1	G9 A13	G9-Q11 PolarHBondContact O-N 3.49Å; Q11-A13 PolarHBondContact O-N 3.38Å
12	T	43.7	Very low	44.1	Very low	139 Å²	139	138.6 Å²	138.6	85%	0.853	79%	0.789	S	S	*	*			trans	-72.7	112.7	174.8	43.7	0	0	0	0	110.2
13	A	48.4	Very low	44.8	Very low	91 Å²	91	132.3 Å²	132.3	75%	0.752	78%	0.78	S	S	*	*			trans	-86.1	120.8	169.7	0	0	0	0	0	109.9	Q11 L15	Q11-A13 PolarHBondContact O-N 3.38Å; A13-L15 PolarHBondContact O-N 3.4Å
14	L	40.4	Very low	45.2	Very low	161 Å²	161	133.3 Å²	133.3	84%	0.843	78%	0.78	S	S	*	*			trans	-77.4	108	174.7	-166.2	76.4	0	0	0	108.8	V16	L14-V16 PolarHBondContact O-N 3.35Å
15	L	41.7	Very low	45.8	Very low	150 Å²	150	132.1 Å²	132.1	79%	0.785	78%	0.781	S	S	*	*			trans	-78.8	106.6	171.2	-108.4	95.3	0	0	0	109.5	A13 L17	A13-L15 PolarHBondContact O-N 3.4Å; L15-L17 PolarHBondContact O-N 3.42Å
16	V	48.9	Very low	46	Very low	109 Å²	109	126.9 Å²	126.9	66%	0.661	77%	0.774	S	S	*	*			trans	-84.4	101	164.8	-179.1	0	0	0	0	107.4	L14 L18	L14-V16 PolarHBondContact O-N 3.35Å; V16-L18 HydrophobicContact CG1-CG 4.32Å; V16-L18 PolarHBondContact O-N 3.06Å
17	L	45.7	Very low	46.3	Very low	156 Å²	156	127.1 Å²	127.1	82%	0.817	77%	0.767	S	S	*	*			trans	-72.6	92.3	168.5	-85.9	153.4	0	0	0	108.3	L15 A19	L15-L17 PolarHBondContact O-N 3.42Å; L17-A19 VanDerWaalsContact C-N 3.26Å; L17-A19 PolarHBondContact O-N 2.96Å
18	L	48	Very low	46.6	Very low	156 Å²	156	128.5 Å²	128.5	82%	0.817	77%	0.771	S	S	*	*			trans	-68	91.3	162.5	-73.1	169	0	0	0	107.5	V16 S20	V16-L18 HydrophobicContact CG1-CG 4.32Å; V16-L18 PolarHBondContact O-N 3.06Å; L18-S20 PolarHBondContact O-N 2.83Å
19	A	53.8	Low	46.9	Very low	94 Å²	94	128.6 Å²	128.6	78%	0.777	76%	0.762	S	S	*	*			trans	-65.1	93.2	159.8	0	0	0	0	0	106.7	L17 C21	L17-A19 VanDerWaalsContact C-N 3.26Å; L17-A19 PolarHBondContact O-N 2.96Å; A19-C21 PolarHBondContact O-N 2.92Å
20	S	54.3	Low	47.9	Very low	93 Å²	93	129.9 Å²	129.9	65%	0.65	75%	0.754	S	S	*	*			trans	-62.8	93.2	163.2	43.3	0	0	0	0	106.7	L18 Q22	L18-S20 PolarHBondContact O-N 2.83Å; S20-Q22 PolarHBondContact O-N 2.79Å
21	C	48.2	Very low	49.7	Very low	111 Å²	111	129.9 Å²	129.9	75%	0.75	75%	0.754	S	S	*	*			trans	-62.6	85	155.2	-165.9	0	0	0	0	105	A19 C23	A19-C21 PolarHBondContact O-N 2.92Å; C21-C23 PolarHBondContact O-N 2.77Å
22	Q	52	Low	51.7	Low	160 Å²	160	124.3 Å²	124.3	75%	0.748	73%	0.731	S	S	*	*			trans	-64.5	86.8	162.6	-70.6	-177.5	-9.2	0	0	104.4	S20 I24	S20-Q22 PolarHBondContact O-N 2.79Å; Q22-I24 PolarHBondContact O-N 2.82Å
23	C	50.2	Low	53.9	Low	104 Å²	104	119.4 Å²	119.4	70%	0.703	70%	0.701	S	S	*	*			trans	-54.8	100.6	154.7	-58	0	0	0	0	103.6	C21 S25	C21-C23 PolarHBondContact O-N 2.77Å; C23-S25 PolarHBondContact O-N 2.84Å
24	I	48	Very low	56	Low	143 Å²	143	119.7 Å²	119.7	73%	0.733	70%	0.695	S	S	*	*			trans	-55.9	105.2	160.6	-62.6	173.8	0	0	0	102.3	Q22 V26	Q22-I24 PolarHBondContact O-N 2.82Å; I24-V26 HydrophobicContact CG2-CG2 4.32Å; I24-V26 PolarHBondContact O-N 2.75Å
25	S	48.8	Very low	58.6	Low	96 Å²	96	114.4 Å²	114.4	67%	0.671	67%	0.666	S	S	*	*			trans	-59.8	91.2	163.3	176.4	0	0	0	0	103.9	C23 N27	C23-S25 PolarHBondContact O-N 2.84Å; S25-N27 PolarHBondContact O-N 2.83Å
26	V	45.8	Very low	61.1	Low	117 Å²	117	108.8 Å²	108.8	71%	0.709	64%	0.635	S	S	*	*			trans	-61.2	98.6	163.6	179.3	0	0	0	0	102.3	I24 T28	I24-V26 HydrophobicContact CG2-CG2 4.32Å; I24-V26 PolarHBondContact O-N 2.75Å; V26-T28 PolarHBondContact O-N 2.97Å
27	N	46.3	Very low	63.1	Low	112 Å²	112	108 Å²	108	60%	0.599	64%	0.635	S	S	*	*			trans	-47.8	119.1	163.1	-80.6	-16.5	0	0	0	104.2	S25 D29	S25-N27 PolarHBondContact O-N 2.83Å; N27-D29 PolarHBondContact O-N 2.73Å
28	T	45.8	Very low	65.4	Low	137 Å²	137	106.4 Å²	106.4	84%	0.84	62%	0.623	S	S	*	*			trans	-67.6	57.8	162.3	50.1	0	0	0	0	107.3	V26 T30	V26-T28 PolarHBondContact O-N 2.97Å; T28-T30 PolarHBondContact O-N 2.88Å
29	D	47.6	Very low	67.6	Low	123 Å²	123	101.1 Å²	101.1	66%	0.658	59%	0.592	S	S	*	*			trans	-62	100.8	154	-86.7	-27.8	0	0	0	103.5	N27 L31	N27-D29 PolarHBondContact O-N 2.73Å; D29-L31 PolarHBondContact O-N 2.96Å
30	T	63.5	Low	69.5	Low	106 Å²	106	103.7 Å²	103.7	65%	0.65	59%	0.593	S	S	*	*			trans	-37.8	106.2	172.6	-10.7	0	0	0	0	108	T28 L32	T28-T30 PolarHBondContact O-N 2.88Å; T30-L32 PolarHBondContact O-N 3.17Å
31	L	78.7	Confident	71.5	Confident	175 Å²	175	99.4 Å²	99.4	92%	0.916	56%	0.564	S	S	*	*			trans	-65	94.6	174.9	-73	174.2	0	0	0	106.8	D29	D29-L31 PolarHBondContact O-N 2.96Å
32	L	86.3	Confident	73.8	Confident	78 Å²	78	94.8 Å²	94.8	41%	0.408	53%	0.532	S	S	.	.			trans	-69.2	143.3	177.1	-66.9	176	0	0	0	108.7	T30 F36 F151	T30-L32 PolarHBondContact O-N 3.17Å; L32-F36 HydrophobicContact CB-CB 4.18Å; L32-F36 HydrophobicContact CB-CD1 4.33Å; L32-F36 HydrophobicContact CB-CG 4.3Å; L32-F36 HydrophobicContact CD1-CD1 3.5Å; L32-F36 VanDerWaalsContact CD1-CD1 3.5Å; L32-F36 HydrophobicContact CD1-CD2 4.29Å; L32-F36 HydrophobicContact CD1-CE1 3.48Å; L32-F36 VanDerWaalsContact CD1-CE1 3.48Å; L32-F36 HydrophobicContact CD1-CE2 4.24Å; L32-F36 HydrophobicContact CD1-CG 3.9Å; L32-F36 HydrophobicContact CD1-CZ 3.85Å; L32-F36 HydrophobicContact CG-CD1 4.5Å; L32-F151 HydrophobicContact CD2-CD1 4.08Å; L32-F151 HydrophobicContact CD2-CE1 4.32Å
33	P	90.6	Very high	76	Confident	36 Å²	36	87.3 Å²	87.3	23%	0.234	50%	0.497	C	S	.	.			trans	-65.5	149.5	176.9	32.3	-37.7	0	0	0	109.7	E35 F36 L43 M195	P33-E35 WeakPolarHBondContact CB-OE2 3.22Å; P33-E35 PolarHBondContact O-N 3.24Å; P33-E35 VanDerWaalsContact O-N 3.08Å; P33-F36 VanDerWaalsContact O-CB 3.23Å; P33-F36 WeakPolarHBondContact O-CB 3.23Å; P33-F36 PolarHBondContact O-N 3.23Å; P33-L43 HydrophobicContact CG-CD1 4.1Å; P33-L43 HydrophobicContact CG-CD2 3.81Å; P33-M195 HydrophobicContact CB-CE 3.95Å; P33-M195 HydrophobicContact CB-SD 4.47Å; P33-M195 HydrophobicContact CG-CE 4.04Å
34	P	92.3	Very high	78.4	Confident	96 Å²	96	83.4 Å²	83.4	62%	0.623	47%	0.468	S	S	*	.	H	α-helix	trans	-57.9	-27.7	-175.7	22.9	-32.9	0	0	0	113.2	F36 S37 Q38	P34-F36 PolarHBondContact O-N 2.97Å; P34-S37 PolarHBondContact O-N 2.95Å; P34-Q38 PolarHBondContact O-N 2.78Å
35	E	95	Very high	80.8	Confident	51 Å²	51	76.7 Å²	76.7	24%	0.238	43%	0.434	C	S	.	.	H	α-helix	trans	-57.1	-31.9	175.5	-67.4	77.5	-174.4	0	0	112	P33 Q38 Y39 L43 M195	P33-E35 WeakPolarHBondContact CB-OE2 3.22Å; P33-E35 PolarHBondContact O-N 3.24Å; P33-E35 VanDerWaalsContact O-N 3.08Å; E35-Q38 PolarHBondContact O-N 2.88Å; E35-Y39 HydrophobicContact CB-CD2 4.14Å; E35-Y39 HydrophobicContact CB-CE2 4.14Å; E35-Y39 HydrophobicContact CG-CE2 4.32Å; E35-Y39 WeakPolarHBondContact O-CB 3.49Å; E35-Y39 WeakPolarHBondContact O-CD2 3.39Å; E35-Y39 PolarHBondContact O-N 2.72Å; E35-L43 HydrophobicContact CB-CD2 4.03Å; E35-M195 HydrophobicContact CB-SD 4.13Å; E35-M195 HydrophobicContact CG-CG 4.16Å; E35-M195 HydrophobicContact CG-SD 3.55Å; E35-M195 VanDerWaalsContact CG-SD 3.55Å
36	F	92.4	Very high	83.2	Confident	32 Å²	32	73.5 Å²	73.5	14%	0.14	41%	0.413	C	S	.	.	H	α-helix	trans	-58.8	-53.3	175.7	-179.4	-97.2	0	0	0	110.8	L32 P33 P34 Y39 N40 G41 L43 F151	L32-F36 HydrophobicContact CB-CB 4.18Å; L32-F36 HydrophobicContact CB-CD1 4.33Å; L32-F36 HydrophobicContact CB-CG 4.3Å; L32-F36 HydrophobicContact CD1-CD1 3.5Å; L32-F36 VanDerWaalsContact CD1-CD1 3.5Å; L32-F36 HydrophobicContact CD1-CD2 4.29Å; L32-F36 HydrophobicContact CD1-CE1 3.48Å; L32-F36 VanDerWaalsContact CD1-CE1 3.48Å; L32-F36 HydrophobicContact CD1-CE2 4.24Å; L32-F36 HydrophobicContact CD1-CG 3.9Å; L32-F36 HydrophobicContact CD1-CZ 3.85Å; L32-F36 HydrophobicContact CG-CD1 4.5Å; P33-F36 VanDerWaalsContact O-CB 3.23Å; P33-F36 WeakPolarHBondContact O-CB 3.23Å; P33-F36 PolarHBondContact O-N 3.23Å; P34-F36 PolarHBondContact O-N 2.97Å; F36-Y39 CarbonylContact O-C 3.57Å; F36-Y39 PolarHBondContact O-N 3.16Å; F36-N40 PolarHBondContact O-N 2.82Å; F36-G41 VanDerWaalsContact CD2-CA 3.48Å; F36-G41 VanDerWaalsContact CE2-C 3.5Å; F36-G41 WeakPolarHBondContact CE2-O 3.38Å; F36-G41 VanDerWaalsContact CZ-CA 3.47Å; F36-G41 WeakPolarHBondContact O-CA 3.38Å; F36-G41 PolarHBondContact O-N 3.42Å; F36-L43 HydrophobicContact CB-CD2 4.08Å; F36-F151 AromaticContact CD2-CE1 3.45Å; F36-F151 HydrophobicContact CD2-CE1 3.45Å; F36-F151 VanDerWaalsContact CD2-CE1 3.45Å; F36-F151 AromaticContact CD2-CZ 3.78Å; F36-F151 HydrophobicContact CD2-CZ 3.78Å; F36-F151 AromaticContact CE2-CE1 3.66Å; F36-F151 HydrophobicContact CE2-CE1 3.66Å; F36-F151 AromaticContact CE2-CZ 3.89Å; F36-F151 HydrophobicContact CE2-CZ 3.89Å
37	S	92	Very high	85.7	Confident	93 Å²	93	68 Å²	68	65%	0.65	38%	0.38	S	S	*	.	H	α-helix	trans	-68.1	-37.2	177.4	-59.4	0	0	0	0	111.9	P34 Y39 N40	P34-S37 PolarHBondContact O-N 2.95Å; S37-Y39 PolarHBondContact O-N 3.08Å; S37-N40 PolarHBondContact O-N 2.92Å
38	Q	93.9	Very high	88.2	Confident	122 Å²	122	69.7 Å²	69.7	57%	0.57	38%	0.382	S	S	*	.	H	α-helix	trans	-60.2	-33	178.5	-174.4	179.6	-6.8	0	0	112.8	P34 E35	P34-Q38 PolarHBondContact O-N 2.78Å; E35-Q38 PolarHBondContact O-N 2.88Å
39	Y	94.6	Very high	90.7	Very high	44 Å²	44	63.2 Å²	63.2	17%	0.173	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	35.9	-176.8	-55.7	-54.1	0	0	0	112.7	E35 F36 S37 G41 T42 Y44 S197	E35-Y39 HydrophobicContact CB-CD2 4.14Å; E35-Y39 HydrophobicContact CB-CE2 4.14Å; E35-Y39 HydrophobicContact CG-CE2 4.32Å; E35-Y39 WeakPolarHBondContact O-CB 3.49Å; E35-Y39 WeakPolarHBondContact O-CD2 3.39Å; E35-Y39 PolarHBondContact O-N 2.72Å; F36-Y39 CarbonylContact O-C 3.57Å; F36-Y39 PolarHBondContact O-N 3.16Å; S37-Y39 PolarHBondContact O-N 3.08Å; Y39-G41 VanDerWaalsContact C-N 3.27Å; Y39-G41 PolarHBondContact O-N 2.93Å; Y39-T42 WeakPolarHBondContact CB-O 3.25Å; Y39-T42 VanDerWaalsContact O-CB 3.28Å; Y39-T42 WeakPolarHBondContact O-CB 3.47Å; Y39-T42 PolarHBondContact O-N 3.49Å; Y39-T42 PolarHBondContact O-OG1 2.78Å; Y39-Y44 AromaticContact CD2-CD2 3.95Å; Y39-Y44 HydrophobicContact CD2-CD2 3.95Å; Y39-Y44 HydrophobicContact CD2-CE2 4.26Å; Y39-Y44 HydrophobicContact CE2-CD2 4.48Å; Y39-Y44 HydrophobicContact CG-CD2 4.2Å; Y39-Y44 HydrophobicContact CG-CE2 4.03Å; Y39-S197 WeakPolarHBondContact OH-CA 3.33Å; Y39-S197 WeakPolarHBondContact OH-CB 3.43Å
40	N	94.3	Very high	93.1	Very high	149 Å²	149	65 Å²	65	80%	0.797	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	44.7	172.3	-62.4	-17.8	0	0	0	113.5	F36 S37	F36-N40 PolarHBondContact O-N 2.82Å; S37-N40 PolarHBondContact O-N 2.92Å
41	G	94.8	Very high	94.8	Very high	3 Å²	3	62.1 Å²	62.1	3%	0.031	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.2	14.4	179.3	0	0	0	0	0	115.2	F36 Y39 Q72	F36-G41 VanDerWaalsContact CD2-CA 3.48Å; F36-G41 VanDerWaalsContact CE2-C 3.5Å; F36-G41 WeakPolarHBondContact CE2-O 3.38Å; F36-G41 VanDerWaalsContact CZ-CA 3.47Å; F36-G41 WeakPolarHBondContact O-CA 3.38Å; F36-G41 PolarHBondContact O-N 3.42Å; Y39-G41 VanDerWaalsContact C-N 3.27Å; Y39-G41 PolarHBondContact O-N 2.93Å; G41-Q72 PolarHBondContact O-N 2.83Å
42	T	97.8	Very high	95.8	Very high	14 Å²	14	54.2 Å²	54.2	9%	0.086	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	132.5	-179.9	-51.1	0	0	0	0	111	Y39 Y44 K69 Q70 E71	Y39-T42 WeakPolarHBondContact CB-O 3.25Å; Y39-T42 VanDerWaalsContact O-CB 3.28Å; Y39-T42 WeakPolarHBondContact O-CB 3.47Å; Y39-T42 PolarHBondContact O-N 3.49Å; Y39-T42 PolarHBondContact O-OG1 2.78Å; T42-Y44 HydrophobicContact CG2-CD2 4.12Å; T42-Y44 HydrophobicContact CG2-CE1 4.23Å; T42-Y44 HydrophobicContact CG2-CE2 3.47Å; T42-Y44 VanDerWaalsContact CG2-CE2 3.47Å; T42-K69 HydrophobicContact CG2-CD 4.41Å; T42-K69 HydrophobicContact CG2-CG 3.73Å; T42-Q70 WeakPolarHBondContact CA-O 3.41Å; T42-Q70 WeakPolarHBondContact CG2-O 3.35Å; T42-E71 HydrophobicContact CG2-CG 4.06Å
43	L	98.3	Very high	96.3	Very high	3 Å²	3	56.3 Å²	56.3	2%	0.016	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	143.5	168	-65.2	-175.7	0	0	0	111	P33 E35 F36 K69 Q70 L150 F151	P33-L43 HydrophobicContact CG-CD1 4.1Å; P33-L43 HydrophobicContact CG-CD2 3.81Å; E35-L43 HydrophobicContact CB-CD2 4.03Å; F36-L43 HydrophobicContact CB-CD2 4.08Å; L43-K69 WeakPolarHBondContact O-CA 3.5Å; L43-Q70 PolarHBondContact N-O 3.08Å; L43-Q70 PolarHBondContact O-N 2.74Å; L43-L150 HydrophobicContact CB-CB 4.11Å; L43-L150 HydrophobicContact CB-CD1 3.88Å; L43-L150 HydrophobicContact CD1-CB 4.13Å; L43-F151 HydrophobicContact CB-CE2 4.25Å; L43-F151 HydrophobicContact CB-CZ 4.12Å; L43-F151 HydrophobicContact CD1-CD1 3.66Å; L43-F151 HydrophobicContact CD1-CD2 4.1Å; L43-F151 HydrophobicContact CD1-CE1 3.42Å; L43-F151 VanDerWaalsContact CD1-CE1 3.42Å; L43-F151 HydrophobicContact CD1-CE2 3.87Å; L43-F151 HydrophobicContact CD1-CG 4.01Å; L43-F151 HydrophobicContact CD1-CZ 3.54Å; L43-F151 HydrophobicContact CG-CD1 4.46Å; L43-F151 HydrophobicContact CG-CE1 3.73Å; L43-F151 HydrophobicContact CG-CE2 4.02Å; L43-F151 HydrophobicContact CG-CZ 3.48Å; L43-F151 VanDerWaalsContact CG-CZ 3.48Å
44	Y	98.8	Very high	96.6	Very high	22 Å²	22	57 Å²	57	9%	0.086	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	142.2	175.3	-62	-92.2	0	0	0	109.6	Y39 T42 F68 K69 S196 S198 W201	Y39-Y44 AromaticContact CD2-CD2 3.95Å; Y39-Y44 HydrophobicContact CD2-CD2 3.95Å; Y39-Y44 HydrophobicContact CD2-CE2 4.26Å; Y39-Y44 HydrophobicContact CE2-CD2 4.48Å; Y39-Y44 HydrophobicContact CG-CD2 4.2Å; Y39-Y44 HydrophobicContact CG-CE2 4.03Å; T42-Y44 HydrophobicContact CG2-CD2 4.12Å; T42-Y44 HydrophobicContact CG2-CE1 4.23Å; T42-Y44 HydrophobicContact CG2-CE2 3.47Å; T42-Y44 VanDerWaalsContact CG2-CE2 3.47Å; Y44-F68 WeakPolarHBondContact CA-O 3.28Å; Y44-K69 HydrophobicContact CD1-CB 4.03Å; Y44-K69 HydrophobicContact CD1-CG 4.07Å; Y44-K69 HydrophobicContact CE1-CB 4.04Å; Y44-K69 HydrophobicContact CE1-CD 3.83Å; Y44-K69 HydrophobicContact CE1-CG 3.65Å; Y44-S196 WeakPolarHBondContact CB-O 3.4Å; Y44-S196 PolarHBondContact O-N 3.36Å; Y44-S198 VanDerWaalsContact CZ-CB 3.5Å; Y44-W201 HydrophobicContact CD1-CB 3.67Å; Y44-W201 HydrophobicContact CD1-CD2 4.47Å; Y44-W201 AromaticContact CD1-CG 3.89Å; Y44-W201 HydrophobicContact CD1-CG 3.89Å; Y44-W201 HydrophobicContact CE1-CB 3.83Å; Y44-W201 AromaticContact CE1-CD1 3.77Å; Y44-W201 HydrophobicContact CE1-CD2 4.45Å; Y44-W201 AromaticContact CE1-CG 3.72Å; Y44-W201 HydrophobicContact CE1-CG 3.72Å
45	A	98.8	Very high	96.8	Very high	1 Å²	1	54 Å²	54	1%	0.008	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	156.3	170.6	0	0	0	0	0	110.7	F68 L150 L157 I193 G194 S196	A45-F68 HydrophobicContact CB-CB 3.95Å; A45-F68 HydrophobicContact CB-CD2 4.12Å; A45-F68 HydrophobicContact CB-CG 4.38Å; A45-F68 PolarHBondContact N-O 3.34Å; A45-F68 PolarHBondContact O-N 2.9Å; A45-L150 HydrophobicContact CB-CD1 4.22Å; A45-L150 HydrophobicContact CB-CD2 3.9Å; A45-L157 HydrophobicContact CB-CD2 3.71Å; A45-I193 HydrophobicContact CB-CG2 3.75Å; A45-G194 CarbonylContact C-O 3.58Å; A45-G194 WeakPolarHBondContact CA-O 3.05Å; A45-G194 VanDerWaalsContact CB-O 3.27Å; A45-G194 WeakPolarHBondContact CB-O 3.49Å; A45-S196 VanDerWaalsContact C-OG 3.3Å; A45-S196 WeakPolarHBondContact CA-OG 3.5Å; A45-S196 PolarHBondContact N-OG 3.14Å
46	A	98.8	Very high	96.8	Very high	29 Å²	29	54.8 Å²	54.8	24%	0.24	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	145	178.1	0	0	0	0	0	110.2	L67 G194	A46-L67 HydrophobicContact CB-CD2 3.73Å; A46-G194 PolarHBondContact N-O 3.32Å; A46-G194 PolarHBondContact O-N 3.43Å
47	C	98.8	Very high	96.9	Very high	1 Å²	1	62.7 Å²	62.7	1%	0.007	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	110.6	179.6	-165.7	0	0	0	0	107.7	V49 Q65 V66 F68 V161 C191 V192 I193	C47-V49 PolarHBondContact O-N 3.34Å; C47-Q65 CarbonylContact O-C 3.49Å; C47-Q65 WeakPolarHBondContact O-CA 3.25Å; C47-V66 HydrophobicContact CB-CB 4.31Å; C47-V66 PolarHBondContact N-O 2.97Å; C47-V66 PolarHBondContact O-N 3.41Å; C47-F68 HydrophobicContact CB-CE2 4.09Å; C47-V161 HydrophobicContact CB-CG2 4.3Å; C47-C191 VanDerWaalsContact CA-SG 3.58Å; C47-C191 HydrophobicContact CB-CB 4.18Å; C47-C191 WeakPolarHBondContact CB-SG 3.46Å; C47-C191 WeakPolarHBondContact SG-CB 3.39Å; C47-C191 PolarHBondContact SG-O 3.5Å; C47-C191 CovalentContact SG-SG 2.01Å; C47-C191 PolarHBondContact SG-SG 3.15Å; C47-V192 VanDerWaalsContact SG-C 3.57Å; C47-V192 PolarHBondContact SG-O 3.06Å; C47-I193 HydrophobicContact CB-CG1 4.29Å
48	K	98.8	Very high	97	Very high	148 Å²	148	62.3 Å²	62.3	64%	0.643	34%	0.341	S	S	*	.			trans	-86.8	91.5	-178.3	-174.8	175.4	-176.1	170.1	0	110.5	R50 C191	K48-R50 PolarHBondContact O-N 3.17Å; K48-C191 WeakPolarHBondContact O-CB 3.33Å
49	V	98.9	Very high	97	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.012	32%	0.322	C	S	.	.			trans	-62.4	127.3	-175.9	180	0	0	0	0	110.8	C47 Y63 G64 V66 L83 I163 A189 C191	C47-V49 PolarHBondContact O-N 3.34Å; V49-Y63 WeakPolarHBondContact O-CA 3.39Å; V49-G64 PolarHBondContact N-O 3.28Å; V49-G64 PolarHBondContact O-N 3.19Å; V49-G64 VanDerWaalsContact O-N 3.07Å; V49-V66 HydrophobicContact CG2-CG2 3.98Å; V49-L83 HydrophobicContact CB-CD2 4.15Å; V49-L83 HydrophobicContact CG1-CD2 4.24Å; V49-L83 HydrophobicContact CG2-CD2 3.77Å; V49-I163 HydrophobicContact CB-CD1 4.45Å; V49-I163 HydrophobicContact CG1-CD1 3.58Å; V49-I163 HydrophobicContact CG2-CD1 3.94Å; V49-A189 HydrophobicContact CG1-CB 3.57Å; V49-C191 WeakPolarHBondContact CG2-SG 3.31Å
50	R	98.8	Very high	97.1	Very high	159 Å²	159	57.4 Å²	57.4	60%	0.6	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.5	151.9	173	-69.2	-179	170.6	161	-5	110.2	K48 A189 C190	K48-R50 PolarHBondContact O-N 3.17Å; R50-A189 CarbonylContact O-C 3.49Å; R50-A189 VanDerWaalsContact O-CA 3.23Å; R50-A189 WeakPolarHBondContact O-CA 3.21Å; R50-A189 VanDerWaalsContact O-CB 3.23Å; R50-A189 WeakPolarHBondContact O-CB 3.11Å; R50-C190 PolarHBondContact N-O 3.5Å; R50-C190 VanDerWaalsContact N-O 3.1Å; R50-C190 PolarHBondContact O-N 3.24Å
51	P	98.8	Very high	97.2	Very high	47 Å²	47	57.7 Å²	57.7	31%	0.305	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	144.8	172.4	-22.9	32.4	0	0	0	111	T53 L55 K61 V62	P51-T53 PolarHBondContact O-N 3.05Å; P51-L55 HydrophobicContact CB-CD2 4.3Å; P51-K61 HydrophobicContact CB-CB 4.35Å; P51-K61 HydrophobicContact CG-CB 3.83Å; P51-K61 HydrophobicContact CG-CG 4.5Å; P51-V62 VanDerWaalsContact CD-O 3.28Å; P51-V62 WeakPolarHBondContact CD-O 3.39Å; P51-V62 WeakPolarHBondContact CG-O 3.32Å
52	S	98.7	Very high	97.4	Very high	8 Å²	8	57.6 Å²	57.6	6%	0.056	32%	0.315	C	S	.	.			trans	-56.7	137.9	174.3	-170.7	0	0	0	0	110	S54 L55 C109 L188	S52-S54 PolarHBondContact O-N 3.18Å; S52-S54 PolarHBondContact OG-N 3.06Å; S52-S54 PolarHBondContact OG-OG 3.3Å; S52-L55 WeakPolarHBondContact O-CB 3.12Å; S52-L55 PolarHBondContact O-N 2.65Å; S52-L55 VanDerWaalsContact O-N 3.16Å; S52-C109 WeakPolarHBondContact CB-SG 3.18Å; S52-C109 PolarHBondContact OG-N 2.82Å; S52-L188 PolarHBondContact N-O 3.08Å
53	T	98	Very high	97.5	Very high	123 Å²	123	62.8 Å²	62.8	76%	0.755	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-18.9	173.3	55.7	0	0	0	0	112.3	P51 G108	P51-T53 PolarHBondContact O-N 3.05Å; T53-G108 WeakPolarHBondContact OG1-CA 3.14Å; T53-G108 PolarHBondContact OG1-N 3.26Å; T53-G108 VanDerWaalsContact OG1-N 3.16Å
54	S	95.2	Very high	97.5	Very high	50 Å²	50	63.4 Å²	63.4	35%	0.35	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	8.3	173.4	60.1	0	0	0	0	113.4	S52 P56 D110	S52-S54 PolarHBondContact O-N 3.18Å; S52-S54 PolarHBondContact OG-N 3.06Å; S52-S54 PolarHBondContact OG-OG 3.3Å; S54-P56 VanDerWaalsContact O-CD 3.28Å; S54-P56 WeakPolarHBondContact O-CD 3.39Å; S54-D110 WeakPolarHBondContact CB-OD2 3.18Å; S54-D110 PolarHBondContact OG-OD2 3.49Å
55	L	96.9	Very high	97.5	Very high	33 Å²	33	64.7 Å²	64.7	17%	0.173	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-64.4	123.1	-174.3	-169.4	68.4	0	0	0	111.1	P51 S52 L59 K61 L188	P51-L55 HydrophobicContact CB-CD2 4.3Å; S52-L55 WeakPolarHBondContact O-CB 3.12Å; S52-L55 PolarHBondContact O-N 2.65Å; S52-L55 VanDerWaalsContact O-N 3.16Å; L55-L59 HydrophobicContact CD1-CB 3.98Å; L55-L59 HydrophobicContact CD1-CD1 3.85Å; L55-L59 HydrophobicContact CD2-CB 4.31Å; L55-L59 HydrophobicContact CG-CB 4.08Å; L55-K61 HydrophobicContact CD2-CG 4.33Å; L55-L188 HydrophobicContact CD1-CD2 3.94Å
56	P	95.5	Very high	97.5	Very high	67 Å²	67	64.7 Å²	64.7	44%	0.435	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-57.3	150.9	172.3	-26.7	34.5	0	0	0	113.3	S54 L59	S54-P56 VanDerWaalsContact O-CD 3.28Å; S54-P56 WeakPolarHBondContact O-CD 3.39Å; P56-L59 HydrophobicContact CB-CD1 4.23Å; P56-L59 HydrophobicContact CG-CD1 4.17Å
57	E	94.9	Very high	97.5	Very high	198 Å²	198	63.4 Å²	63.4	93%	0.925	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	150.5	171.5	-66.4	-171.6	171.2	0	0	111.6	L59	E57-L59 VanDerWaalsContact C-N 3.26Å; E57-L59 PolarHBondContact O-N 3.21Å
58	G	93.1	Very high	97.5	Very high	86 Å²	86	63.3 Å²	63.3	89%	0.887	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	-10.5	-178.9	0	0	0	0	0	115.3
59	L	95.3	Very high	97.5	Very high	35 Å²	35	57.7 Å²	57.7	18%	0.183	31%	0.312	C	S	.	.	S	Bend	trans	-85.7	150.5	173.9	-66.7	-175.9	0	0	0	112.6	L55 P56 E57 K61 L188	L55-L59 HydrophobicContact CD1-CB 3.98Å; L55-L59 HydrophobicContact CD1-CD1 3.85Å; L55-L59 HydrophobicContact CD2-CB 4.31Å; L55-L59 HydrophobicContact CG-CB 4.08Å; P56-L59 HydrophobicContact CB-CD1 4.23Å; P56-L59 HydrophobicContact CG-CD1 4.17Å; E57-L59 VanDerWaalsContact C-N 3.26Å; E57-L59 PolarHBondContact O-N 3.21Å; L59-K61 PolarHBondContact O-N 3.48Å; L59-L188 HydrophobicContact CB-CD2 4.21Å; L59-L188 HydrophobicContact CD1-CD2 4.22Å
60	P	95.6	Very high	97.5	Very high	28 Å²	28	57.8 Å²	57.8	18%	0.182	31%	0.313	C	S	.	.			trans	-64.8	131.4	-179.6	25.5	-33.9	0	0	0	111.6	V62 P87 L188	P60-V62 HydrophobicContact CB-CG2 4.48Å; P60-V62 PolarHBondContact O-N 3.46Å; P60-V62 VanDerWaalsContact O-N 3.1Å; P60-P87 HydrophobicContact CB-CG 4.13Å; P60-P87 HydrophobicContact CG-CG 4.39Å; P60-L188 HydrophobicContact CG-CD1 3.97Å; P60-L188 HydrophobicContact CG-CD2 4.22Å
61	K	97.7	Very high	97.4	Very high	155 Å²	155	55.3 Å²	55.3	67%	0.674	31%	0.308	S	S	*	.			trans	-85.2	80.1	177.9	-65.7	-177.2	-176.7	179	0	109.7	P51 L55 L59 Y63	P51-K61 HydrophobicContact CB-CB 4.35Å; P51-K61 HydrophobicContact CG-CB 3.83Å; P51-K61 HydrophobicContact CG-CG 4.5Å; L55-K61 HydrophobicContact CD2-CG 4.33Å; L59-K61 PolarHBondContact O-N 3.48Å; K61-Y63 WeakPolarHBondContact O-CD1 3.35Å
62	V	98.5	Very high	97.2	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.313	C	S	.	.			trans	-70.9	135.4	179.8	179.2	0	0	0	0	111.1	P51 P60 N84 F86 I163 L188 A189	P51-V62 VanDerWaalsContact CD-O 3.28Å; P51-V62 WeakPolarHBondContact CD-O 3.39Å; P51-V62 WeakPolarHBondContact CG-O 3.32Å; P60-V62 HydrophobicContact CB-CG2 4.48Å; P60-V62 PolarHBondContact O-N 3.46Å; P60-V62 VanDerWaalsContact O-N 3.1Å; V62-N84 WeakPolarHBondContact CA-O 3.34Å; V62-F86 HydrophobicContact CB-CE1 4.42Å; V62-F86 HydrophobicContact CG1-CE1 3.95Å; V62-F86 HydrophobicContact CG1-CE2 4.21Å; V62-F86 HydrophobicContact CG1-CZ 3.62Å; V62-F86 HydrophobicContact CG2-CD1 3.79Å; V62-F86 HydrophobicContact CG2-CE1 3.53Å; V62-F86 HydrophobicContact CG2-CZ 4.07Å; V62-I163 HydrophobicContact CG1-CG2 4.29Å; V62-L188 HydrophobicContact CG2-CB 4.34Å; V62-L188 HydrophobicContact CG2-CD1 4Å; V62-A189 HydrophobicContact CB-CB 3.9Å; V62-A189 HydrophobicContact CG1-CB 4.2Å; V62-A189 VanDerWaalsContact O-CB 3.29Å; V62-A189 WeakPolarHBondContact O-CB 3.24Å
63	Y	98.8	Very high	96.9	Very high	123 Å²	123	59.4 Å²	59.4	48%	0.482	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	167	178.3	67.3	-85.2	0	0	0	111.7	V49 K61 N84	V49-Y63 WeakPolarHBondContact O-CA 3.39Å; K61-Y63 WeakPolarHBondContact O-CD1 3.35Å; Y63-N84 HydrophobicContact CD2-CB 4.42Å; Y63-N84 HydrophobicContact CE1-CB 4.01Å; Y63-N84 HydrophobicContact CE2-CB 3.89Å; Y63-N84 PolarHBondContact N-O 3.47Å; Y63-N84 PolarHBondContact O-N 3.21Å
64	G	98.6	Very high	96.7	Very high	17 Å²	17	60.9 Å²	60.9	18%	0.175	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	144.8	-134.2	174.9	0	0	0	0	0	111.4	V49 R82	V49-G64 PolarHBondContact N-O 3.28Å; V49-G64 PolarHBondContact O-N 3.19Å; V49-G64 VanDerWaalsContact O-N 3.07Å; G64-R82 WeakPolarHBondContact CA-O 3.49Å
65	Q	98.5	Very high	96.7	Very high	49 Å²	49	59.9 Å²	59.9	23%	0.229	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	151.1	178.9	62.5	-168.3	22.8	0	0	112.4	C47 L67 R82 Q204	C47-Q65 CarbonylContact O-C 3.49Å; C47-Q65 WeakPolarHBondContact O-CA 3.25Å; Q65-L67 HydrophobicContact CB-CD2 4.4Å; Q65-L67 HydrophobicContact CG-CD2 4.32Å; Q65-L67 HydrophobicContact CG-CG 4.35Å; Q65-R82 HydrophobicContact CG-CB 3.98Å; Q65-R82 PolarHBondContact N-O 3.31Å; Q65-R82 CarbonylContact O-C 3.58Å; Q65-R82 PolarHBondContact O-N 2.79Å; Q65-Q204 VanDerWaalsContact NE2-CG 3.3Å
66	V	98.9	Very high	96.7	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	129	166.3	-176.6	0	0	0	0	107.4	C47 V49 F68 V79 L80 L81 L83 V161	C47-V66 HydrophobicContact CB-CB 4.31Å; C47-V66 PolarHBondContact N-O 2.97Å; C47-V66 PolarHBondContact O-N 3.41Å; V49-V66 HydrophobicContact CG2-CG2 3.98Å; V66-F68 HydrophobicContact CB-CE2 4.21Å; V66-F68 HydrophobicContact CB-CZ 4.34Å; V66-F68 HydrophobicContact CG1-CE1 4.16Å; V66-F68 HydrophobicContact CG1-CE2 3.74Å; V66-F68 HydrophobicContact CG1-CZ 3.52Å; V66-V79 HydrophobicContact CG1-CG1 3.41Å; V66-V79 VanDerWaalsContact CG1-CG1 3.41Å; V66-L80 WeakPolarHBondContact CA-O 3.44Å; V66-L81 HydrophobicContact CG1-CG 4.47Å; V66-L81 HydrophobicContact CG2-CG 4.45Å; V66-L83 HydrophobicContact CG2-CD2 4.15Å; V66-V161 HydrophobicContact CB-CG2 4.46Å; V66-V161 HydrophobicContact CG1-CG2 4.49Å; V66-V161 HydrophobicContact CG2-CG1 4.09Å
67	L	98.9	Very high	96.8	Very high	2 Å²	2	59.6 Å²	59.6	1%	0.01	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	147.9	-176.1	-52.3	175.4	0	0	0	109.3	A46 Q65 V79 L80 V200 W201 Q204	A46-L67 HydrophobicContact CB-CD2 3.73Å; Q65-L67 HydrophobicContact CB-CD2 4.4Å; Q65-L67 HydrophobicContact CG-CD2 4.32Å; Q65-L67 HydrophobicContact CG-CG 4.35Å; L67-V79 CarbonylContact O-C 3.54Å; L67-V79 WeakPolarHBondContact O-CA 3.31Å; L67-L80 HydrophobicContact CB-CB 4.3Å; L67-L80 HydrophobicContact CD1-CD2 4.34Å; L67-L80 PolarHBondContact N-O 3.06Å; L67-L80 PolarHBondContact O-N 3.16Å; L67-V200 HydrophobicContact CD1-CG1 3.65Å; L67-V200 HydrophobicContact CD2-CG1 3.46Å; L67-V200 VanDerWaalsContact CD2-CG1 3.46Å; L67-V200 HydrophobicContact CG-CG1 4.2Å; L67-W201 HydrophobicContact CB-CE3 3.82Å; L67-W201 HydrophobicContact CB-CZ3 4.23Å; L67-Q204 HydrophobicContact CD1-CB 3.71Å; L67-Q204 HydrophobicContact CD1-CG 3.89Å
68	F	98.9	Very high	97	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	140	-173.2	-61.2	-85.8	0	0	0	109.5	Y44 A45 C47 V66 L77 Q78 V79 F130 L150 V161 I193	Y44-F68 WeakPolarHBondContact CA-O 3.28Å; A45-F68 HydrophobicContact CB-CB 3.95Å; A45-F68 HydrophobicContact CB-CD2 4.12Å; A45-F68 HydrophobicContact CB-CG 4.38Å; A45-F68 PolarHBondContact N-O 3.34Å; A45-F68 PolarHBondContact O-N 2.9Å; C47-F68 HydrophobicContact CB-CE2 4.09Å; V66-F68 HydrophobicContact CB-CE2 4.21Å; V66-F68 HydrophobicContact CB-CZ 4.34Å; V66-F68 HydrophobicContact CG1-CE1 4.16Å; V66-F68 HydrophobicContact CG1-CE2 3.74Å; V66-F68 HydrophobicContact CG1-CZ 3.52Å; F68-L77 HydrophobicContact CB-CD1 4.05Å; F68-L77 HydrophobicContact CD1-CD1 4.14Å; F68-L77 HydrophobicContact CD1-CD2 3.77Å; F68-L77 HydrophobicContact CD1-CG 4.1Å; F68-L77 HydrophobicContact CE1-CD2 4.24Å; F68-Q78 WeakPolarHBondContact CA-O 3.27Å; F68-V79 HydrophobicContact CD1-CB 4.35Å; F68-V79 HydrophobicContact CD1-CG1 4.02Å; F68-V79 HydrophobicContact CD1-CG2 3.78Å; F68-V79 HydrophobicContact CE1-CB 4.31Å; F68-V79 HydrophobicContact CE1-CG1 3.63Å; F68-V79 HydrophobicContact CE1-CG2 3.8Å; F68-V79 HydrophobicContact CZ-CG1 4.22Å; F68-F130 HydrophobicContact CE1-CZ 4.02Å; F68-F130 HydrophobicContact CZ-CZ 4.5Å; F68-L150 HydrophobicContact CB-CD1 4.18Å; F68-L150 HydrophobicContact CB-CD2 4.32Å; F68-V161 HydrophobicContact CE2-CG2 4.18Å; F68-V161 HydrophobicContact CZ-CG2 3.69Å; F68-I193 HydrophobicContact CD2-CG2 3.99Å; F68-I193 HydrophobicContact CE2-CD1 4.21Å; F68-I193 HydrophobicContact CE2-CG1 3.98Å; F68-I193 HydrophobicContact CE2-CG2 3.94Å; F68-I193 HydrophobicContact CZ-CD1 3.97Å; F68-I193 HydrophobicContact CZ-CG1 4.2Å
69	K	98.7	Very high	97.3	Very high	29 Å²	29	48.7 Å²	48.7	13%	0.126	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	132.6	171.2	176.2	-172.4	168.6	-152.4	0	108.7	T42 L43 Y44 E71 Q78 W201	T42-K69 HydrophobicContact CG2-CD 4.41Å; T42-K69 HydrophobicContact CG2-CG 3.73Å; L43-K69 WeakPolarHBondContact O-CA 3.5Å; Y44-K69 HydrophobicContact CD1-CB 4.03Å; Y44-K69 HydrophobicContact CD1-CG 4.07Å; Y44-K69 HydrophobicContact CE1-CB 4.04Å; Y44-K69 HydrophobicContact CE1-CD 3.83Å; Y44-K69 HydrophobicContact CE1-CG 3.65Å; K69-E71 WeakPolarHBondContact CE-OE1 3.42Å; K69-E71 IonicContact NZ-OE1 2.64Å; K69-E71 PolarHBondContact NZ-OE1 3.34Å; K69-Q78 HydrophobicContact CB-CB 4.47Å; K69-Q78 PolarHBondContact N-O 3.32Å; K69-Q78 WeakPolarHBondContact O-CB 3.19Å; K69-Q78 PolarHBondContact O-N 3.47Å; K69-W201 HydrophobicContact CB-CD2 3.64Å; K69-W201 HydrophobicContact CB-CE3 3.68Å; K69-W201 HydrophobicContact CB-CG 4.37Å; K69-W201 HydrophobicContact CB-CH2 3.73Å; K69-W201 HydrophobicContact CB-CZ2 3.66Å; K69-W201 HydrophobicContact CB-CZ3 3.73Å; K69-W201 HydrophobicContact CD-CD2 4.24Å; K69-W201 HydrophobicContact CD-CZ2 3.85Å; K69-W201 HydrophobicContact CG-CD2 4.49Å; K69-W201 HydrophobicContact CG-CZ2 4.39Å
70	Q	98.6	Very high	97.5	Very high	5 Å²	5	47 Å²	47	2%	0.023	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	121.7	172.1	-165.8	179.4	5.2	0	0	109.6	T42 L43 G75 L77 T149 L150 F151	T42-Q70 WeakPolarHBondContact CA-O 3.41Å; T42-Q70 WeakPolarHBondContact CG2-O 3.35Å; L43-Q70 PolarHBondContact N-O 3.08Å; L43-Q70 PolarHBondContact O-N 2.74Å; Q70-G75 PolarHBondContact NE2-O 3.21Å; Q70-L77 HydrophobicContact CB-CD1 3.89Å; Q70-T149 PolarHBondContact NE2-OG1 3.35Å; Q70-T149 PolarHBondContact OE1-OG1 2.95Å; Q70-L150 HydrophobicContact CB-CD1 4.26Å; Q70-L150 HydrophobicContact CB-CG 4.45Å; Q70-F151 HydrophobicContact CB-CE2 4.09Å; Q70-F151 HydrophobicContact CG-CD2 4.32Å; Q70-F151 HydrophobicContact CG-CE2 3.99Å
71	E	97.3	Very high	97.6	Very high	106 Å²	106	45.7 Å²	45.7	50%	0.495	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	120.6	174.5	-61.9	-178.8	-172.1	0	0	108.6	T42 K69 G75	T42-E71 HydrophobicContact CG2-CG 4.06Å; K69-E71 WeakPolarHBondContact CE-OE1 3.42Å; K69-E71 IonicContact NZ-OE1 2.64Å; K69-E71 PolarHBondContact NZ-OE1 3.34Å; E71-G75 WeakPolarHBondContact O-CA 3.43Å
72	Q	94.9	Very high	97.6	Very high	87 Å²	87	40.8 Å²	40.8	41%	0.407	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	167.1	-175.3	-50.7	-63.7	-31.1	0	0	113.7	G41 E74 F151	G41-Q72 PolarHBondContact O-N 2.83Å; Q72-E74 VanDerWaalsContact C-N 3.31Å; Q72-E74 PolarHBondContact O-N 3.05Å; Q72-F151 WeakPolarHBondContact O-CE2 3.49Å
73	S	92.3	Very high	97.7	Very high	55 Å²	55	40.8 Å²	40.8	39%	0.385	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-27.4	179.6	30.4	0	0	0	0	113.5
74	E	92.6	Very high	97.6	Very high	154 Å²	154	37 Å²	37	72%	0.72	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-13.5	-176	-56.1	69.2	-143.7	0	0	112.8	Q72	Q72-E74 VanDerWaalsContact C-N 3.31Å; Q72-E74 PolarHBondContact O-N 3.05Å
75	G	95.3	Very high	97.6	Very high	28 Å²	28	37.5 Å²	37.5	29%	0.289	19%	0.194	S	C	.	.	S	Bend	trans	-70.2	155	178.4	0	0	0	0	0	112.4	Q70 E71	Q70-G75 PolarHBondContact NE2-O 3.21Å; E71-G75 WeakPolarHBondContact O-CA 3.43Å
76	K	97.3	Very high	97.5	Very high	95 Å²	95	35.6 Å²	35.6	41%	0.413	19%	0.185	S	C	.	.	P	Polyproline II helix	trans	-71	145.1	172	-64.5	-68.3	173.5	175.3	0	110.5	Q78 E145 E147	K76-Q78 PolarHBondContact O-N 2.83Å; K76-E145 HydrophobicContact CB-CB 4.44Å; K76-E147 IonicContact NZ-OE1 2.9Å; K76-E147 PolarHBondContact NZ-OE1 2.91Å; K76-E147 IonicContact NZ-OE2 3.97Å; K76-E147 PolarHBondContact NZ-OE2 3.16Å
77	L	98.8	Very high	97.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	118.9	173.5	-179.5	66	0	0	0	109.5	F68 Q70 V79 E145 S146 A148 L150	F68-L77 HydrophobicContact CB-CD1 4.05Å; F68-L77 HydrophobicContact CD1-CD1 4.14Å; F68-L77 HydrophobicContact CD1-CD2 3.77Å; F68-L77 HydrophobicContact CD1-CG 4.1Å; F68-L77 HydrophobicContact CE1-CD2 4.24Å; Q70-L77 HydrophobicContact CB-CD1 3.89Å; L77-V79 HydrophobicContact CD2-CG2 4.16Å; L77-V79 HydrophobicContact CG-CG2 4.01Å; L77-E145 CarbonylContact O-C 3.57Å; L77-E145 VanDerWaalsContact O-CA 3.32Å; L77-E145 WeakPolarHBondContact O-CA 3.28Å; L77-S146 PolarHBondContact N-O 3.33Å; L77-S146 PolarHBondContact O-N 2.94Å; L77-A148 WeakPolarHBondContact CB-O 3.23Å; L77-A148 HydrophobicContact CD2-CB 3.74Å; L77-L150 HydrophobicContact CD1-CD1 3.98Å; L77-L150 HydrophobicContact CD1-CD2 4.23Å; L77-L150 HydrophobicContact CD1-CG 3.72Å
78	Q	98.8	Very high	97	Very high	55 Å²	55	42.3 Å²	42.3	26%	0.257	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	131.4	170.1	-58.4	-175.1	-36.1	0	0	109.3	F68 K69 K76 I144 W201	F68-Q78 WeakPolarHBondContact CA-O 3.27Å; K69-Q78 HydrophobicContact CB-CB 4.47Å; K69-Q78 PolarHBondContact N-O 3.32Å; K69-Q78 WeakPolarHBondContact O-CB 3.19Å; K69-Q78 PolarHBondContact O-N 3.47Å; K76-Q78 PolarHBondContact O-N 2.83Å; Q78-I144 WeakPolarHBondContact CA-O 3.18Å; Q78-W201 HydrophobicContact CB-CH2 3.6Å; Q78-W201 HydrophobicContact CB-CZ2 4.09Å
79	V	98.9	Very high	96.2	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	120.7	-177.7	-170.2	0	0	0	0	109.6	V66 L67 F68 L77 L81 F130 L143 I144	V66-V79 HydrophobicContact CG1-CG1 3.41Å; V66-V79 VanDerWaalsContact CG1-CG1 3.41Å; L67-V79 CarbonylContact O-C 3.54Å; L67-V79 WeakPolarHBondContact O-CA 3.31Å; F68-V79 HydrophobicContact CD1-CB 4.35Å; F68-V79 HydrophobicContact CD1-CG1 4.02Å; F68-V79 HydrophobicContact CD1-CG2 3.78Å; F68-V79 HydrophobicContact CE1-CB 4.31Å; F68-V79 HydrophobicContact CE1-CG1 3.63Å; F68-V79 HydrophobicContact CE1-CG2 3.8Å; F68-V79 HydrophobicContact CZ-CG1 4.22Å; L77-V79 HydrophobicContact CD2-CG2 4.16Å; L77-V79 HydrophobicContact CG-CG2 4.01Å; V79-L81 HydrophobicContact CG1-CD1 3.99Å; V79-F130 HydrophobicContact CG1-CE2 4.21Å; V79-F130 HydrophobicContact CG1-CZ 4.3Å; V79-F130 HydrophobicContact CG2-CE1 4.23Å; V79-F130 HydrophobicContact CG2-CZ 4.22Å; V79-L143 WeakPolarHBondContact O-CA 3.35Å; V79-I144 HydrophobicContact CB-CD1 4.19Å; V79-I144 HydrophobicContact CB-CG1 3.7Å; V79-I144 HydrophobicContact CG1-CG1 4.49Å; V79-I144 HydrophobicContact CG2-CG1 4.34Å; V79-I144 PolarHBondContact N-O 3.45Å; V79-I144 PolarHBondContact O-N 2.97Å
80	L	98.9	Very high	95.3	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	110	176.5	178.1	59.2	0	0	0	109.8	V66 L67 R82 E142 L143 W201 Q204 H205 F208	V66-L80 WeakPolarHBondContact CA-O 3.44Å; L67-L80 HydrophobicContact CB-CB 4.3Å; L67-L80 HydrophobicContact CD1-CD2 4.34Å; L67-L80 PolarHBondContact N-O 3.06Å; L67-L80 PolarHBondContact O-N 3.16Å; L80-R82 HydrophobicContact CG-CG 4.21Å; L80-E142 CarbonylContact C-O 3.56Å; L80-E142 WeakPolarHBondContact CA-O 3.18Å; L80-E142 WeakPolarHBondContact CD1-O 3.43Å; L80-L143 HydrophobicContact CB-CD1 4.21Å; L80-L143 HydrophobicContact CD1-CB 4.31Å; L80-W201 HydrophobicContact CB-CH2 4.17Å; L80-W201 HydrophobicContact CB-CZ3 3.88Å; L80-Q204 HydrophobicContact CD2-CB 3.94Å; L80-H205 HydrophobicContact CD2-CB 4.32Å; L80-F208 HydrophobicContact CD1-CB 4.28Å; L80-F208 HydrophobicContact CD1-CD2 4.3Å; L80-F208 HydrophobicContact CD1-CG 4.13Å
81	L	98.8	Very high	94.7	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	128.2	177.4	-64.9	85.2	0	0	0	109.4	V66 V79 L83 V97 F133 I140 S141 E142 I144	V66-L81 HydrophobicContact CG1-CG 4.47Å; V66-L81 HydrophobicContact CG2-CG 4.45Å; V79-L81 HydrophobicContact CG1-CD1 3.99Å; L81-L83 HydrophobicContact CD2-CD1 4.28Å; L81-V97 HydrophobicContact CD2-CB 4.21Å; L81-V97 HydrophobicContact CD2-CG1 4.15Å; L81-V97 HydrophobicContact CD2-CG2 3.96Å; L81-F133 HydrophobicContact CD1-CE1 4.39Å; L81-F133 HydrophobicContact CD1-CZ 4.28Å; L81-F133 HydrophobicContact CD2-CD1 4.49Å; L81-F133 HydrophobicContact CD2-CD2 3.96Å; L81-F133 HydrophobicContact CD2-CE1 4.35Å; L81-F133 HydrophobicContact CD2-CE2 3.84Å; L81-F133 HydrophobicContact CD2-CG 4.29Å; L81-F133 HydrophobicContact CD2-CZ 4.05Å; L81-I140 HydrophobicContact CB-CG2 4.47Å; L81-S141 VanDerWaalsContact O-CA 3.27Å; L81-S141 WeakPolarHBondContact O-CA 3.22Å; L81-E142 PolarHBondContact N-O 3.29Å; L81-E142 PolarHBondContact O-N 2.88Å; L81-E142 VanDerWaalsContact O-N 3.1Å; L81-I144 HydrophobicContact CD1-CD1 3.93Å; L81-I144 HydrophobicContact CD1-CG1 4.09Å
82	R	98.4	Very high	94.2	Very high	51 Å²	51	57.2 Å²	57.2	19%	0.192	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	84.9	174.3	-63.6	-62.2	-65.7	-93.1	-2	109	G64 Q65 L80 I140 S141 Q204	G64-R82 WeakPolarHBondContact CA-O 3.49Å; Q65-R82 HydrophobicContact CG-CB 3.98Å; Q65-R82 PolarHBondContact N-O 3.31Å; Q65-R82 CarbonylContact O-C 3.58Å; Q65-R82 PolarHBondContact O-N 2.79Å; L80-R82 HydrophobicContact CG-CG 4.21Å; R82-I140 WeakPolarHBondContact CA-O 3.42Å; R82-S141 WeakPolarHBondContact CD-OG 3.36Å; R82-S141 PolarHBondContact NE-OG 2.78Å; R82-Q204 PolarHBondContact NH1-O 2.97Å; R82-Q204 VanDerWaalsContact NH1-OE1 3.12Å
83	L	98.7	Very high	94.1	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	149.1	-171.7	-52.1	173.7	0	0	0	110.5	V49 V66 L81 F86 V97 Q139 I140 I163	V49-L83 HydrophobicContact CB-CD2 4.15Å; V49-L83 HydrophobicContact CG1-CD2 4.24Å; V49-L83 HydrophobicContact CG2-CD2 3.77Å; V66-L83 HydrophobicContact CG2-CD2 4.15Å; L81-L83 HydrophobicContact CD2-CD1 4.28Å; L83-F86 HydrophobicContact CB-CE2 3.64Å; L83-F86 HydrophobicContact CB-CZ 3.95Å; L83-F86 HydrophobicContact CD1-CZ 4.24Å; L83-V97 HydrophobicContact CD1-CG2 4.39Å; L83-Q139 CarbonylContact O-C 3.45Å; L83-Q139 VanDerWaalsContact O-CA 3.32Å; L83-Q139 WeakPolarHBondContact O-CA 3.22Å; L83-I140 HydrophobicContact CB-CB 4.21Å; L83-I140 PolarHBondContact N-O 2.9Å; L83-I140 PolarHBondContact O-N 3.47Å; L83-I163 HydrophobicContact CD1-CG1 3.82Å; L83-I163 HydrophobicContact CD2-CD1 4.48Å; L83-I163 HydrophobicContact CD2-CG1 4.47Å
84	N	98.4	Very high	94.3	Very high	43 Å²	43	56.8 Å²	56.8	23%	0.23	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	170.7	-177.3	-51.2	-93.7	0	0	0	109.5	V62 Y63 G138 Q139	V62-N84 WeakPolarHBondContact CA-O 3.34Å; Y63-N84 HydrophobicContact CD2-CB 4.42Å; Y63-N84 HydrophobicContact CE1-CB 4.01Å; Y63-N84 HydrophobicContact CE2-CB 3.89Å; Y63-N84 PolarHBondContact N-O 3.47Å; Y63-N84 PolarHBondContact O-N 3.21Å; N84-G138 CarbonylContact C-O 3.48Å; N84-G138 WeakPolarHBondContact CA-O 3.14Å; N84-Q139 WeakPolarHBondContact OD1-CG 3.28Å
85	G	97.1	Very high	94.6	Very high	28 Å²	28	50.6 Å²	50.6	29%	0.289	29%	0.285	S	S	.	.			trans	86.6	21.2	175.2	0	0	0	0	0	113.5	G138	G85-G138 PolarHBondContact N-O 3.01Å; G85-G138 VanDerWaalsContact N-O 3.14Å
86	F	97.2	Very high	94.8	Very high	9 Å²	9	49.2 Å²	49.2	4%	0.039	27%	0.272	C	S	.	.			trans	-81.9	149.9	168.9	-56.7	-80.1	0	0	0	110.5	V62 L83 R95 G138 I140 I163	V62-F86 HydrophobicContact CB-CE1 4.42Å; V62-F86 HydrophobicContact CG1-CE1 3.95Å; V62-F86 HydrophobicContact CG1-CE2 4.21Å; V62-F86 HydrophobicContact CG1-CZ 3.62Å; V62-F86 HydrophobicContact CG2-CD1 3.79Å; V62-F86 HydrophobicContact CG2-CE1 3.53Å; V62-F86 HydrophobicContact CG2-CZ 4.07Å; L83-F86 HydrophobicContact CB-CE2 3.64Å; L83-F86 HydrophobicContact CB-CZ 3.95Å; L83-F86 HydrophobicContact CD1-CZ 4.24Å; F86-R95 HydrophobicContact CD1-CG 4.04Å; F86-R95 HydrophobicContact CE1-CB 4.31Å; F86-R95 HydrophobicContact CE1-CG 3.82Å; F86-G138 WeakPolarHBondContact CD2-O 3.31Å; F86-G138 PolarHBondContact N-O 3.2Å; F86-G138 VanDerWaalsContact O-CA 3.27Å; F86-G138 WeakPolarHBondContact O-CA 3.4Å; F86-I140 HydrophobicContact CD2-CD1 4.15Å; F86-I140 HydrophobicContact CD2-CG1 4.1Å; F86-I140 HydrophobicContact CE1-CD1 4.08Å; F86-I140 HydrophobicContact CE2-CB 4.17Å; F86-I140 HydrophobicContact CE2-CD1 3.46Å; F86-I140 VanDerWaalsContact CE2-CD1 3.46Å; F86-I140 HydrophobicContact CE2-CG1 3.64Å; F86-I140 HydrophobicContact CZ-CD1 3.42Å; F86-I140 VanDerWaalsContact CZ-CD1 3.42Å; F86-I140 HydrophobicContact CZ-CG1 4.14Å; F86-I163 HydrophobicContact CE1-CG2 4.29Å; F86-I163 HydrophobicContact CZ-CG2 4.41Å
87	P	94.6	Very high	94.8	Very high	59 Å²	59	44.7 Å²	44.7	38%	0.383	25%	0.252	S	S	.	.			trans	-57.9	146.4	176.2	-23.5	34.7	0	0	0	112.8	P60	P60-P87 HydrophobicContact CB-CG 4.13Å; P60-P87 HydrophobicContact CG-CG 4.39Å
88	T	92.7	Very high	94.8	Very high	85 Å²	85	44.7 Å²	44.7	52%	0.521	25%	0.252	S	S	.	.	S	Bend	trans	-114.5	-18.2	-178.8	48	0	0	0	0	114.3
89	E	82.7	Confident	94.8	Very high	170 Å²	170	42.1 Å²	42.1	79%	0.794	24%	0.24	S	C	*	.	S	Bend	trans	-80.1	-23.3	-171.3	-54.1	-52.8	127.3	0	0	113.1
90	D	80.2	Confident	94.8	Very high	130 Å²	130	42.2 Å²	42.2	70%	0.695	24%	0.24	S	C	*	.	S	Bend	trans	-111.5	167.6	-179.4	-64.3	-52.1	0	0	0	111.8
91	A	85.3	Confident	94.8	Very high	87 Å²	87	45.8 Å²	45.8	72%	0.719	26%	0.257	S	S	*	.	P	Polyproline II helix	trans	-55.7	128	171.3	0	0	0	0	0	110	E93	A91-E93 PolarHBondContact O-N 3.08Å; A91-E93 VanDerWaalsContact O-N 3.12Å
92	P	87.3	Confident	94.9	Very high	65 Å²	65	51.5 Å²	51.5	42%	0.422	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-67.7	117.5	-172.6	25.5	-33.4	0	0	0	110.8	V134 S135	P92-V134 HydrophobicContact CB-CG1 3.78Å; P92-V134 HydrophobicContact CG-CG1 3.81Å; P92-S135 WeakPolarHBondContact CB-O 3.48Å
93	E	91.9	Very high	94.9	Very high	116 Å²	116	50.3 Å²	50.3	54%	0.542	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-79.9	138	174.6	-65.9	-170.8	148.3	0	0	110.9	A91 R95	A91-E93 PolarHBondContact O-N 3.08Å; A91-E93 VanDerWaalsContact O-N 3.12Å; E93-R95 IonicContact OE2-CZ 3.89Å; E93-R95 IonicContact OE2-NH1 3.34Å; E93-R95 PolarHBondContact OE2-NH1 3.26Å; E93-R95 IonicContact OE2-NH2 2.8Å; E93-R95 PolarHBondContact OE2-NH2 3.29Å
94	P	97.3	Very high	94.9	Very high	18 Å²	18	53.8 Å²	53.8	12%	0.117	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-63.8	139.6	172.4	-13.8	24.9	0	0	0	111.3	N132 F133 V134 K166 R167	P94-N132 HydrophobicContact CB-CB 4.05Å; P94-F133 CarbonylContact C-O 3.54Å; P94-F133 WeakPolarHBondContact CA-O 3.4Å; P94-V134 HydrophobicContact CB-CG2 3.88Å; P94-V134 HydrophobicContact CG-CG2 3.72Å; P94-K166 CarbonylContact O-C 3.59Å; P94-R167 HydrophobicContact CB-CB 4.36Å; P94-R167 HydrophobicContact CB-CG 4.5Å; P94-R167 WeakPolarHBondContact O-CA 3.5Å; P94-R167 PolarHBondContact O-N 3.32Å; P94-R167 VanDerWaalsContact O-N 3.11Å
95	R	97.9	Very high	94.9	Very high	23 Å²	23	55 Å²	55	9%	0.087	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	133.2	178	-56.1	-60.6	-172.8	-145.7	-8.7	109.6	F86 E93 F133 H164 E165	F86-R95 HydrophobicContact CD1-CG 4.04Å; F86-R95 HydrophobicContact CE1-CB 4.31Å; F86-R95 HydrophobicContact CE1-CG 3.82Å; E93-R95 IonicContact OE2-CZ 3.89Å; E93-R95 IonicContact OE2-NH1 3.34Å; E93-R95 PolarHBondContact OE2-NH1 3.26Å; E93-R95 IonicContact OE2-NH2 2.8Å; E93-R95 PolarHBondContact OE2-NH2 3.29Å; R95-F133 PolarHBondContact N-O 3.1Å; R95-F133 PolarHBondContact O-N 2.7Å; R95-H164 WeakPolarHBondContact CD-O 3.49Å; R95-E165 VanDerWaalsContact CD-O 3.23Å; R95-E165 WeakPolarHBondContact CD-O 3.32Å; R95-E165 VanDerWaalsContact CZ-O 3.23Å; R95-E165 PolarHBondContact NE-O 3.02Å; R95-E165 PolarHBondContact NH1-O 3.35Å
96	A	98.8	Very high	95	Very high	0 Å²	0	58 Å²	58	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	147.8	176	0	0	0	0	0	112	H98 G131 H164 K166 D168 A184	A96-H98 WeakPolarHBondContact CB-CE1 3.46Å; A96-G131 VanDerWaalsContact CA-O 3.32Å; A96-G131 WeakPolarHBondContact CA-O 3.12Å; A96-H164 HydrophobicContact CB-CB 3.93Å; A96-H164 PolarHBondContact O-N 3.26Å; A96-K166 PolarHBondContact N-O 3.48Å; A96-K166 VanDerWaalsContact N-O 3.08Å; A96-D168 HydrophobicContact CB-CB 3.66Å; A96-A184 HydrophobicContact CB-CB 3.62Å
97	V	98.9	Very high	95	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	126.9	173.7	-172.9	0	0	0	0	109.7	L81 L83 F130 G131 F133 V161 V162 I163	L81-V97 HydrophobicContact CD2-CB 4.21Å; L81-V97 HydrophobicContact CD2-CG1 4.15Å; L81-V97 HydrophobicContact CD2-CG2 3.96Å; L83-V97 HydrophobicContact CD1-CG2 4.39Å; V97-F130 HydrophobicContact CB-CD2 4.23Å; V97-F130 HydrophobicContact CG1-CD2 3.82Å; V97-F130 HydrophobicContact CG1-CE2 4.41Å; V97-F130 VanDerWaalsContact O-CB 3.23Å; V97-F130 WeakPolarHBondContact O-CB 3.11Å; V97-F130 PolarHBondContact O-N 2.8Å; V97-G131 PolarHBondContact N-O 3.43Å; V97-G131 VanDerWaalsContact N-O 3.13Å; V97-F133 HydrophobicContact CB-CD2 4.16Å; V97-F133 HydrophobicContact CB-CE2 4.04Å; V97-F133 HydrophobicContact CG2-CD2 3.71Å; V97-F133 HydrophobicContact CG2-CE2 4.1Å; V97-V161 HydrophobicContact CG1-CG1 3.59Å; V97-V162 WeakPolarHBondContact CA-O 3.42Å; V97-I163 HydrophobicContact CG1-CG1 4.39Å; V97-I163 HydrophobicContact CG2-CG1 4.17Å; V97-I163 HydrophobicContact CG2-CG2 4.47Å
98	H	98.9	Very high	95.2	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	156.4	-174.5	-54.5	127.7	0	0	0	112.8	A96 H115 G128 D129 V161 V162 H164 D168	A96-H98 WeakPolarHBondContact CB-CE1 3.46Å; H98-H115 AromaticContact CD2-CE1 3.75Å; H98-H115 AromaticContact CE1-CE1 3.42Å; H98-H115 PolarHBondContact CE1-CE1 3Å; H98-H115 VanDerWaalsContact CE1-CE1 3.42Å; H98-H115 AromaticContact CE1-NE2 3.79Å; H98-H115 AromaticContact CG-CE1 3.39Å; H98-H115 AromaticContact CG-ND1 3.92Å; H98-H115 AromaticContact CG-NE2 3.71Å; H98-H115 AromaticContact ND1-CE1 3.19Å; H98-H115 PolarHBondContact ND1-CE1 2.85Å; H98-H115 AromaticContact ND1-NE2 3.24Å; H98-H115 PolarHBondContact ND1-NE2 3.43Å; H98-H115 AromaticContact NE2-CE1 3.8Å; H98-G128 CarbonylContact C-O 3.54Å; H98-G128 VanDerWaalsContact CA-O 3.25Å; H98-G128 WeakPolarHBondContact CA-O 3.4Å; H98-D129 IonicContact CD2-OD1 3.05Å; H98-V161 CarbonylContact O-C 3.51Å; H98-V161 WeakPolarHBondContact O-CA 3.25Å; H98-V162 PolarHBondContact N-O 2.86Å; H98-V162 PolarHBondContact O-N 3.29Å; H98-H164 AromaticContact CE1-CD2 3.87Å; H98-H164 AromaticContact CE1-NE2 3.98Å; H98-H164 AromaticContact ND1-CD2 3.24Å; H98-H164 PolarHBondContact ND1-CD2 3.18Å; H98-H164 AromaticContact ND1-CE1 3.96Å; H98-H164 AromaticContact ND1-NE2 3.07Å; H98-H164 PolarHBondContact ND1-NE2 2.97Å; H98-D168 IonicContact CE1-OD2 2.64Å; H98-D168 PolarHBondContact CE1-OD2 3.41Å; H98-D168 IonicContact NE2-OD2 2.76Å; H98-D168 PolarHBondContact NE2-OD2 3.03Å
99	I	98.9	Very high	95.5	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	123.9	159	-58.2	175.6	0	0	0	108.9	Y116 G128 F130 A148 A156 R159 A160 I193	I99-Y116 HydrophobicContact CG2-CD1 4.43Å; I99-Y116 PolarHBondContact O-N 3.24Å; I99-G128 PolarHBondContact N-O 3.26Å; I99-F130 HydrophobicContact CD1-CE1 4.14Å; I99-F130 HydrophobicContact CD1-CZ 3.67Å; I99-F130 HydrophobicContact CG1-CE1 4.24Å; I99-F130 HydrophobicContact CG1-CE2 4.1Å; I99-F130 HydrophobicContact CG1-CZ 3.56Å; I99-A148 HydrophobicContact CD1-CB 3.83Å; I99-A156 HydrophobicContact CD1-CB 3.88Å; I99-R159 HydrophobicContact CG2-CB 3.82Å; I99-A160 CarbonylContact C-O 3.55Å; I99-A160 VanDerWaalsContact CA-O 3.26Å; I99-A160 WeakPolarHBondContact CA-O 3.4Å; I99-I193 HydrophobicContact CD1-CD1 4.14Å; I99-I193 HydrophobicContact CG1-CD1 4.18Å; I99-I193 HydrophobicContact CG2-CD1 4.3Å
100	H	98.9	Very high	96.2	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.009	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	155.1	172.1	-81.8	-122.3	0	0	0	111.8	Y102 T112 G113 G114 H115 R159 A160 V162 H164	H100-Y102 PolarHBondContact O-N 3.44Å; H100-T112 WeakPolarHBondContact CB-OG1 3.43Å; H100-T112 PolarHBondContact ND1-OG1 2.95Å; H100-G113 PolarHBondContact ND1-O 2.83Å; H100-G114 CarbonylContact C-O 3.56Å; H100-G114 VanDerWaalsContact CA-O 3.24Å; H100-G114 WeakPolarHBondContact CA-O 3.48Å; H100-G114 WeakPolarHBondContact CB-O 3.12Å; H100-G114 PolarHBondContact ND1-O 3.26Å; H100-H115 AromaticContact NE2-CD2 3.76Å; H100-R159 WeakPolarHBondContact O-CB 3.35Å; H100-A160 HydrophobicContact CB-CB 4.41Å; H100-A160 PolarHBondContact N-O 3.49Å; H100-A160 PolarHBondContact O-N 3.4Å; H100-V162 HydrophobicContact CB-CG2 3.86Å; H100-V162 VanDerWaalsContact CD2-CB 3.48Å; H100-V162 WeakPolarHBondContact CD2-CB 3.23Å; H100-V162 WeakPolarHBondContact CD2-CG2 3.41Å; H100-V162 VanDerWaalsContact CG-CG2 3.46Å; H100-H164 AromaticContact NE2-CE1 3.81Å; H100-H164 AromaticContact NE2-NE2 3.33Å; H100-H164 PolarHBondContact NE2-NE2 3.5Å
101	Q	98.9	Very high	97.1	Very high	76 Å²	76	49.1 Å²	49.1	36%	0.355	27%	0.265	S	S	.	.	S	Bend	trans	-57.1	-42.7	-168.9	-175.2	175.4	0.5	0	0	114.2	T112 G114 R159	Q101-T112 PolarHBondContact N-O 2.95Å; Q101-G114 PolarHBondContact N-O 3.16Å; Q101-R159 PolarHBondContact O-NH1 2.86Å
102	Y	98.9	Very high	97.8	Very high	120 Å²	120	45 Å²	45	47%	0.471	23%	0.23	S	C	.	.			trans	-115.6	138.1	-172.7	-54.7	-60.2	0	0	0	111.9	H100 D104 T112 A160	H100-Y102 PolarHBondContact O-N 3.44Å; Y102-D104 PolarHBondContact O-N 3.49Å; Y102-T112 PolarHBondContact N-O 3.25Å; Y102-T112 WeakPolarHBondContact O-CA 3.17Å; Y102-T112 VanDerWaalsContact O-CB 3.31Å; Y102-T112 WeakPolarHBondContact O-CB 3.49Å; Y102-A160 VanDerWaalsContact O-CB 3.24Å; Y102-A160 WeakPolarHBondContact O-CB 3.33Å
103	G	98.8	Very high	98.3	Very high	25 Å²	25	43 Å²	43	26%	0.258	22%	0.222	S	C	.	.			trans	-78.2	25.4	163.6	0	0	0	0	0	113.7	L105 G158 V192	G103-L105 PolarHBondContact O-N 3.12Å; G103-G158 WeakPolarHBondContact CA-O 3.49Å; G103-G158 PolarHBondContact N-O 3.19Å; G103-G158 VanDerWaalsContact N-O 3.16Å; G103-V192 WeakPolarHBondContact O-CG2 3.37Å
104	D	98.8	Very high	98.6	Very high	73 Å²	73	39.3 Å²	39.3	39%	0.39	21%	0.214	S	C	.	.			trans	-84.1	111.5	178.8	179.1	8.6	0	0	0	110	Y102 S106 S111 T112	Y102-D104 PolarHBondContact O-N 3.49Å; D104-S106 WeakPolarHBondContact OD1-CB 3.29Å; D104-S106 PolarHBondContact OD1-N 3.29Å; D104-S106 PolarHBondContact OD1-OG 3.41Å; D104-S106 PolarHBondContact OD2-OG 2.96Å; D104-S111 CarbonylContact O-C 3.32Å; D104-S111 VanDerWaalsContact O-C 3.32Å; D104-S111 VanDerWaalsContact O-CB 3.32Å; D104-S111 WeakPolarHBondContact O-CB 3.03Å; D104-S111 PolarHBondContact O-OG 2.76Å; D104-S111 WeakPolarHBondContact OD2-CB 3.11Å; D104-T112 PolarHBondContact O-N 2.66Å
105	L	98.6	Very high	98.7	Very high	70 Å²	70	39.1 Å²	39.1	37%	0.366	21%	0.212	S	C	.	.			trans	-105.6	14.4	178.2	-55.4	-175.2	0	0	0	113.2	G103 R107 G108 T112 C190 V192	G103-L105 PolarHBondContact O-N 3.12Å; L105-R107 PolarHBondContact O-N 2.01Å; L105-G108 WeakPolarHBondContact CA-O 3.04Å; L105-G108 PolarHBondContact O-N 2.04Å; L105-T112 HydrophobicContact CD2-CG2 3.86Å; L105-C190 HydrophobicContact CD2-CB 4.39Å; L105-V192 HydrophobicContact CD1-CG2 3.93Å; L105-V192 HydrophobicContact CG-CG2 4.04Å
106	S	98.5	Very high	98.7	Very high	89 Å²	89	38.6 Å²	38.6	62%	0.622	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-27.4	-177.7	60.5	0	0	0	0	113.9	D104 S111	D104-S106 WeakPolarHBondContact OD1-CB 3.29Å; D104-S106 PolarHBondContact OD1-N 3.29Å; D104-S106 PolarHBondContact OD1-OG 3.41Å; D104-S106 PolarHBondContact OD2-OG 2.96Å; S106-S111 PolarHBondContact N-OG 2.92Å
107	R	98.2	Very high	98.7	Very high	172 Å²	172	41.1 Å²	41.1	65%	0.649	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121.7	43.4	173.2	-61.5	-173.5	-64	174	1.8	111.1	L105 D110 S111	L105-R107 PolarHBondContact O-N 2.01Å; R107-D110 PolarHBondContact O-N 3.38Å; R107-S111 PolarHBondContact N-OG 2.91Å
108	G	98.4	Very high	98.7	Very high	4 Å²	4	43 Å²	43	4%	0.041	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	62.4	-137.7	-173.3	0	0	0	0	0	110.6	T53 L105 D110 S111	T53-G108 WeakPolarHBondContact OG1-CA 3.14Å; T53-G108 PolarHBondContact OG1-N 3.26Å; T53-G108 VanDerWaalsContact OG1-N 3.16Å; L105-G108 WeakPolarHBondContact CA-O 3.04Å; L105-G108 PolarHBondContact O-N 2.04Å; G108-D110 VanDerWaalsContact C-N 3.26Å; G108-D110 PolarHBondContact O-N 3.08Å; G108-S111 PolarHBondContact O-OG 2.8Å
109	C	98.8	Very high	98.7	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-78.7	-8.7	-179.6	-52.4	0	0	0	0	113.5	S52 S111 T112 R187 C190	S52-C109 WeakPolarHBondContact CB-SG 3.18Å; S52-C109 PolarHBondContact OG-N 2.82Å; C109-S111 VanDerWaalsContact C-N 3.33Å; C109-S111 PolarHBondContact O-N 3.25Å; C109-T112 PolarHBondContact O-N 3.01Å; C109-T112 PolarHBondContact O-OG1 2.76Å; C109-R187 HydrophobicContact CB-CB 3.55Å; C109-R187 HydrophobicContact CB-CG 4.43Å; C109-R187 WeakPolarHBondContact O-CD 3.05Å; C109-R187 PolarHBondContact O-NH1 3.42Å; C109-C190 WeakPolarHBondContact CA-SG 3Å; C109-C190 HydrophobicContact CB-CB 3.85Å; C109-C190 WeakPolarHBondContact CB-SG 3.38Å; C109-C190 WeakPolarHBondContact SG-CB 3.42Å; C109-C190 PolarHBondContact SG-N 2.96Å; C109-C190 CovalentContact SG-SG 2.04Å; C109-C190 PolarHBondContact SG-SG 2.58Å
110	D	98.6	Very high	98.6	Very high	82 Å²	82	54.2 Å²	54.2	44%	0.439	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-77.4	-21.2	-175.2	-59.5	-37.6	0	0	0	112.8	S54 R107 G108 T112	S54-D110 WeakPolarHBondContact CB-OD2 3.18Å; S54-D110 PolarHBondContact OG-OD2 3.49Å; R107-D110 PolarHBondContact O-N 3.38Å; G108-D110 VanDerWaalsContact C-N 3.26Å; G108-D110 PolarHBondContact O-N 3.08Å; D110-T112 VanDerWaalsContact C-N 3.35Å
111	S	98.8	Very high	98.6	Very high	10 Å²	10	56.4 Å²	56.4	7%	0.07	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-84.3	-2.7	176.6	43.1	0	0	0	0	114.3	D104 S106 R107 G108 C109 G113	D104-S111 CarbonylContact O-C 3.32Å; D104-S111 VanDerWaalsContact O-C 3.32Å; D104-S111 VanDerWaalsContact O-CB 3.32Å; D104-S111 WeakPolarHBondContact O-CB 3.03Å; D104-S111 PolarHBondContact O-OG 2.76Å; D104-S111 WeakPolarHBondContact OD2-CB 3.11Å; S106-S111 PolarHBondContact N-OG 2.92Å; R107-S111 PolarHBondContact N-OG 2.91Å; G108-S111 PolarHBondContact O-OG 2.8Å; C109-S111 VanDerWaalsContact C-N 3.33Å; C109-S111 PolarHBondContact O-N 3.25Å; S111-G113 PolarHBondContact O-N 3.13Å; S111-G113 VanDerWaalsContact O-N 3.16Å
112	T	98.9	Very high	98.6	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-75.2	-3.1	-176.5	65.4	0	0	0	0	114.5	H100 Q101 Y102 D104 L105 C109 D110 A160 V162 R187	H100-T112 WeakPolarHBondContact CB-OG1 3.43Å; H100-T112 PolarHBondContact ND1-OG1 2.95Å; Q101-T112 PolarHBondContact N-O 2.95Å; Y102-T112 PolarHBondContact N-O 3.25Å; Y102-T112 WeakPolarHBondContact O-CA 3.17Å; Y102-T112 VanDerWaalsContact O-CB 3.31Å; Y102-T112 WeakPolarHBondContact O-CB 3.49Å; D104-T112 PolarHBondContact O-N 2.66Å; L105-T112 HydrophobicContact CD2-CG2 3.86Å; C109-T112 PolarHBondContact O-N 3.01Å; C109-T112 PolarHBondContact O-OG1 2.76Å; D110-T112 VanDerWaalsContact C-N 3.35Å; T112-A160 HydrophobicContact CG2-CB 3.57Å; T112-V162 HydrophobicContact CG2-CG2 4.39Å; T112-R187 PolarHBondContact OG1-NH1 3.13Å
113	G	98.6	Very high	98.6	Very high	23 Å²	23	51.8 Å²	51.8	24%	0.237	30%	0.298	C	S	.	.			trans	74.9	-159.5	-177	0	0	0	0	0	113	H100 S111 R187	H100-G113 PolarHBondContact ND1-O 2.83Å; S111-G113 PolarHBondContact O-N 3.13Å; S111-G113 VanDerWaalsContact O-N 3.16Å; G113-R187 VanDerWaalsContact O-CZ 3.25Å; G113-R187 PolarHBondContact O-NH1 2.83Å; G113-R187 PolarHBondContact O-NH2 3.12Å
114	G	98.6	Very high	98.6	Very high	38 Å²	38	53.4 Å²	53.4	39%	0.392	30%	0.304	S	S	.	.	S	Bend	trans	-82.3	-172	174	0	0	0	0	0	112.9	H100 Q101	H100-G114 CarbonylContact C-O 3.56Å; H100-G114 VanDerWaalsContact CA-O 3.24Å; H100-G114 WeakPolarHBondContact CA-O 3.48Å; H100-G114 WeakPolarHBondContact CB-O 3.12Å; H100-G114 PolarHBondContact ND1-O 3.26Å; Q101-G114 PolarHBondContact N-O 3.16Å
115	H	98.9	Very high	98.6	Very high	14 Å²	14	57.6 Å²	57.6	7%	0.065	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-59.5	145.1	172.3	-68.4	-154.6	0	0	0	109.7	H98 H100 N117 H123 H126 D129 H181	H98-H115 AromaticContact CD2-CE1 3.75Å; H98-H115 AromaticContact CE1-CE1 3.42Å; H98-H115 PolarHBondContact CE1-CE1 3Å; H98-H115 VanDerWaalsContact CE1-CE1 3.42Å; H98-H115 AromaticContact CE1-NE2 3.79Å; H98-H115 AromaticContact CG-CE1 3.39Å; H98-H115 AromaticContact CG-ND1 3.92Å; H98-H115 AromaticContact CG-NE2 3.71Å; H98-H115 AromaticContact ND1-CE1 3.19Å; H98-H115 PolarHBondContact ND1-CE1 2.85Å; H98-H115 AromaticContact ND1-NE2 3.24Å; H98-H115 PolarHBondContact ND1-NE2 3.43Å; H98-H115 AromaticContact NE2-CE1 3.8Å; H100-H115 AromaticContact NE2-CD2 3.76Å; H115-N117 PolarHBondContact O-N 2.83Å; H115-N117 VanDerWaalsContact O-N 3.08Å; H115-H123 AromaticContact CE1-ND1 3.85Å; H115-H123 AromaticContact ND1-ND1 3.81Å; H115-H126 WeakPolarHBondContact CB-ND1 3.5Å; H115-H126 AromaticContact CG-ND1 3.79Å; H115-H126 AromaticContact ND1-ND1 3.5Å; H115-D129 IonicContact CE1-OD1 3.32Å; H115-D129 IonicContact CG-OD1 3.81Å; H115-D129 IonicContact ND1-OD1 3.55Å; H115-D129 PolarHBondContact ND1-OD1 2.91Å; H115-H181 WeakPolarHBondContact NE2-CB 3.32Å
116	Y	98.9	Very high	98.6	Very high	12 Å²	12	54.9 Å²	54.9	5%	0.047	30%	0.304	C	S	.	.			trans	-70.9	106	176.4	173.8	-127.9	0	0	0	110.5	I99 P118 P127 L154 R159	I99-Y116 HydrophobicContact CG2-CD1 4.43Å; I99-Y116 PolarHBondContact O-N 3.24Å; Y116-P118 HydrophobicContact CD1-CG 4.46Å; Y116-P118 HydrophobicContact CE1-CB 4.49Å; Y116-P118 HydrophobicContact CE1-CG 3.8Å; Y116-P118 HydrophobicContact CE2-CB 3.85Å; Y116-P118 HydrophobicContact CE2-CG 3.94Å; Y116-P118 WeakPolarHBondContact O-CD 3.35Å; Y116-P127 HydrophobicContact CD1-CG 4.05Å; Y116-P127 HydrophobicContact CE1-CG 4.19Å; Y116-L154 WeakPolarHBondContact CE1-O 3.26Å; Y116-L154 VanDerWaalsContact OH-CA 3.25Å; Y116-L154 WeakPolarHBondContact OH-CA 3.45Å; Y116-L154 PolarHBondContact OH-O 2.86Å; Y116-R159 VanDerWaalsContact CD2-CZ 3.41Å; Y116-R159 VanDerWaalsContact CE2-NE 3.28Å; Y116-R159 VanDerWaalsContact CZ-NE 3.26Å; Y116-R159 VanDerWaalsContact CZ-NH2 3.33Å; Y116-R159 PolarHBondContact OH-NH2 2.82Å
117	N	98.8	Very high	98.6	Very high	53 Å²	53	51 Å²	51	28%	0.283	28%	0.277	S	S	.	.			trans	-124.3	75.5	-174.5	-173	8.4	0	0	0	112	H115 F119 S120 V121 H126	H115-N117 PolarHBondContact O-N 2.83Å; H115-N117 VanDerWaalsContact O-N 3.08Å; N117-F119 PolarHBondContact O-N 2.98Å; N117-S120 WeakPolarHBondContact OD1-CA 3.11Å; N117-S120 PolarHBondContact OD1-N 3.07Å; N117-V121 PolarHBondContact ND2-N 2.83Å; N117-V121 PolarHBondContact ND2-O 3Å; N117-V121 PolarHBondContact OD1-N 2.96Å; N117-H126 VanDerWaalsContact CB-CD2 3.49Å; N117-H126 WeakPolarHBondContact CB-CD2 3.49Å; N117-H126 PolarHBondContact ND2-CD2 3.38Å; N117-H126 PolarHBondContact ND2-NE2 2.93Å; N117-H126 VanDerWaalsContact ND2-NE2 3.15Å; N117-H126 PolarHBondContact OD1-CD2 2.64Å
118	P	98.4	Very high	98.6	Very high	41 Å²	41	42.9 Å²	42.9	27%	0.266	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-15	-179.5	28.9	-34.5	0	0	0	113.7	Y116 P127 L154	Y116-P118 HydrophobicContact CD1-CG 4.46Å; Y116-P118 HydrophobicContact CE1-CB 4.49Å; Y116-P118 HydrophobicContact CE1-CG 3.8Å; Y116-P118 HydrophobicContact CE2-CB 3.85Å; Y116-P118 HydrophobicContact CE2-CG 3.94Å; Y116-P118 WeakPolarHBondContact O-CD 3.35Å; P118-P127 HydrophobicContact CG-CG 3.94Å; P118-L154 HydrophobicContact CB-CD1 4.4Å; P118-L154 HydrophobicContact CB-CD2 3.89Å
119	F	98.3	Very high	98.6	Very high	125 Å²	125	43.9 Å²	43.9	55%	0.548	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	4.1	-174.2	-53.8	-58.3	0	0	0	113.6	N117 V121 P127 L154	N117-F119 PolarHBondContact O-N 2.98Å; F119-V121 HydrophobicContact CB-CG1 4.08Å; F119-V121 PolarHBondContact O-N 3.23Å; F119-P127 HydrophobicContact CE2-CG 4.46Å; F119-L154 HydrophobicContact CE1-CD1 3.56Å; F119-L154 HydrophobicContact CZ-CD1 3.72Å
120	S	98.2	Very high	98.6	Very high	109 Å²	109	44.9 Å²	44.9	76%	0.762	26%	0.255	S	S	*	.			trans	51.2	42.2	-179	-57.8	0	0	0	0	113.3	N117	N117-S120 WeakPolarHBondContact OD1-CA 3.11Å; N117-S120 PolarHBondContact OD1-N 3.07Å
121	V	98.5	Very high	98.6	Very high	48 Å²	48	41.6 Å²	41.6	29%	0.291	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-100.3	158.8	177.2	-63.4	0	0	0	0	110.8	N117 F119 K125 H126	N117-V121 PolarHBondContact ND2-N 2.83Å; N117-V121 PolarHBondContact ND2-O 3Å; N117-V121 PolarHBondContact OD1-N 2.96Å; F119-V121 HydrophobicContact CB-CG1 4.08Å; F119-V121 PolarHBondContact O-N 3.23Å; V121-K125 HydrophobicContact CB-CB 4.22Å; V121-K125 HydrophobicContact CG2-CB 3.76Å; V121-K125 WeakPolarHBondContact CG2-O 3.46Å; V121-H126 PolarHBondContact O-CD2 3.42Å; V121-H126 PolarHBondContact O-NE2 2.64Å
122	N	98.6	Very high	98.6	Very high	96 Å²	96	43.5 Å²	43.5	51%	0.513	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-73.4	148.8	172.9	-67.5	-13.8	0	0	0	110.9	K125 L179	N122-K125 VanDerWaalsContact O-CB 3.28Å; N122-K125 WeakPolarHBondContact O-CB 3.49Å; N122-K125 PolarHBondContact O-N 3.21Å; N122-L179 HydrophobicContact CB-CB 4.43Å
123	H	98.6	Very high	98.6	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.019	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	143	161.7	176.9	84.2	0	0	0	109.8	H115 D129 D168 S178 L179	H115-H123 AromaticContact CE1-ND1 3.85Å; H115-H123 AromaticContact ND1-ND1 3.81Å; H123-D129 IonicContact CE1-OD1 3.83Å; H123-D129 IonicContact CE1-OD2 3.35Å; H123-D129 IonicContact CG-OD2 3.79Å; H123-D129 IonicContact ND1-OD1 3.01Å; H123-D129 PolarHBondContact ND1-OD1 3.07Å; H123-D129 IonicContact ND1-OD2 3.97Å; H123-D129 PolarHBondContact ND1-OD2 3.38Å; H123-D168 IonicContact CD2-OD1 3.36Å; H123-D168 VanDerWaalsContact CE1-CG 3.48Å; H123-D168 IonicContact CE1-OD1 3.02Å; H123-D168 PolarHBondContact CE1-OD1 3.26Å; H123-D168 IonicContact CE1-OD2 3.93Å; H123-D168 PolarHBondContact CE1-OD2 3.04Å; H123-D168 IonicContact NE2-OD1 2.69Å; H123-D168 PolarHBondContact NE2-OD1 2.95Å; H123-D168 IonicContact NE2-OD2 3.48Å; H123-D168 PolarHBondContact NE2-OD2 2.9Å; H123-S178 PolarHBondContact CD2-O 2.7Å; H123-L179 VanDerWaalsContact CB-O 3.27Å; H123-L179 WeakPolarHBondContact CB-O 3.5Å; H123-L179 PolarHBondContact N-O 3.41Å
124	P	98.1	Very high	98.5	Very high	58 Å²	58	46.4 Å²	46.4	38%	0.377	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	cis	-94.1	37.9	5.8	38.4	-37.3	0	0	0	114	D129 L170	P124-D129 WeakPolarHBondContact CA-OD2 3.34Å; P124-L170 HydrophobicContact CB-CD2 4.31Å; P124-L170 WeakPolarHBondContact CD-O 3.43Å; P124-L170 HydrophobicContact CG-CB 4.3Å; P124-L170 WeakPolarHBondContact CG-O 3.29Å
125	K	98.5	Very high	98.4	Very high	161 Å²	161	44.9 Å²	44.9	70%	0.7	25%	0.245	S	C	*	.			trans	-99.3	8	-177.4	-58.4	-179.2	178.9	177.7	0	113.5	V121 N122 D129	V121-K125 HydrophobicContact CB-CB 4.22Å; V121-K125 HydrophobicContact CG2-CB 3.76Å; V121-K125 WeakPolarHBondContact CG2-O 3.46Å; N122-K125 VanDerWaalsContact O-CB 3.28Å; N122-K125 WeakPolarHBondContact O-CB 3.49Å; N122-K125 PolarHBondContact O-N 3.21Å; K125-D129 PolarHBondContact N-OD2 3Å
126	H	98.8	Very high	98.2	Very high	14 Å²	14	49.7 Å²	49.7	7%	0.065	27%	0.267	C	S	.	.	S	Bend	trans	-69.8	146.1	174.5	-48.5	135	0	0	0	109.7	H115 N117 V121 G128 D129 L180	H115-H126 WeakPolarHBondContact CB-ND1 3.5Å; H115-H126 AromaticContact CG-ND1 3.79Å; H115-H126 AromaticContact ND1-ND1 3.5Å; N117-H126 VanDerWaalsContact CB-CD2 3.49Å; N117-H126 WeakPolarHBondContact CB-CD2 3.49Å; N117-H126 PolarHBondContact ND2-CD2 3.38Å; N117-H126 PolarHBondContact ND2-NE2 2.93Å; N117-H126 VanDerWaalsContact ND2-NE2 3.15Å; N117-H126 PolarHBondContact OD1-CD2 2.64Å; V121-H126 PolarHBondContact O-CD2 3.42Å; V121-H126 PolarHBondContact O-NE2 2.64Å; H126-G128 PolarHBondContact O-N 3.16Å; H126-G128 VanDerWaalsContact O-N 3.07Å; H126-D129 HydrophobicContact CB-CB 4.48Å; H126-D129 VanDerWaalsContact CB-CG 3.49Å; H126-D129 VanDerWaalsContact CB-OD2 3.22Å; H126-D129 WeakPolarHBondContact CB-OD2 3.24Å; H126-D129 IonicContact CG-OD1 2.94Å; H126-D129 IonicContact CG-OD2 3.26Å; H126-D129 VanDerWaalsContact CG-OD2 3.26Å; H126-D129 PolarHBondContact N-OD2 3.15Å; H126-D129 IonicContact ND1-OD1 3.23Å; H126-D129 PolarHBondContact ND1-OD1 2.74Å; H126-D129 IonicContact ND1-OD2 3.07Å; H126-D129 PolarHBondContact ND1-OD2 3.32Å; H126-D129 PolarHBondContact O-N 3.34Å; H126-L180 PolarHBondContact CE1-O 3.35Å
127	P	98.6	Very high	98	Very high	8 Å²	8	57 Å²	57	5%	0.052	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-28.7	-177.3	20.4	-32.4	0	0	0	113.6	Y116 P118 F119 S146 E147 A148	Y116-P127 HydrophobicContact CD1-CG 4.05Å; Y116-P127 HydrophobicContact CE1-CG 4.19Å; P118-P127 HydrophobicContact CG-CG 3.94Å; F119-P127 HydrophobicContact CE2-CG 4.46Å; P127-S146 PolarHBondContact O-OG 2.88Å; P127-E147 HydrophobicContact CB-CB 4.28Å; P127-A148 HydrophobicContact CB-CB 4.01Å; P127-A148 PolarHBondContact O-N 3.31Å
128	G	98.6	Very high	97.9	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.01	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	15.3	179.2	0	0	0	0	0	115.6	H98 I99 H126 F130	H98-G128 CarbonylContact C-O 3.54Å; H98-G128 VanDerWaalsContact CA-O 3.25Å; H98-G128 WeakPolarHBondContact CA-O 3.4Å; I99-G128 PolarHBondContact N-O 3.26Å; H126-G128 PolarHBondContact O-N 3.16Å; H126-G128 VanDerWaalsContact O-N 3.07Å; G128-F130 PolarHBondContact O-N 3.33Å; G128-F130 VanDerWaalsContact O-N 3.12Å
129	D	98.8	Very high	97.8	Very high	25 Å²	25	56.4 Å²	56.4	13%	0.134	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	84	174.4	-70.6	-23.5	0	0	0	109.7	H98 H115 H123 P124 K125 H126 G131	H98-D129 IonicContact CD2-OD1 3.05Å; H115-D129 IonicContact CE1-OD1 3.32Å; H115-D129 IonicContact CG-OD1 3.81Å; H115-D129 IonicContact ND1-OD1 3.55Å; H115-D129 PolarHBondContact ND1-OD1 2.91Å; H123-D129 IonicContact CE1-OD1 3.83Å; H123-D129 IonicContact CE1-OD2 3.35Å; H123-D129 IonicContact CG-OD2 3.79Å; H123-D129 IonicContact ND1-OD1 3.01Å; H123-D129 PolarHBondContact ND1-OD1 3.07Å; H123-D129 IonicContact ND1-OD2 3.97Å; H123-D129 PolarHBondContact ND1-OD2 3.38Å; P124-D129 WeakPolarHBondContact CA-OD2 3.34Å; K125-D129 PolarHBondContact N-OD2 3Å; H126-D129 HydrophobicContact CB-CB 4.48Å; H126-D129 VanDerWaalsContact CB-CG 3.49Å; H126-D129 VanDerWaalsContact CB-OD2 3.22Å; H126-D129 WeakPolarHBondContact CB-OD2 3.24Å; H126-D129 IonicContact CG-OD1 2.94Å; H126-D129 IonicContact CG-OD2 3.26Å; H126-D129 VanDerWaalsContact CG-OD2 3.26Å; H126-D129 PolarHBondContact N-OD2 3.15Å; H126-D129 IonicContact ND1-OD1 3.23Å; H126-D129 PolarHBondContact ND1-OD1 2.74Å; H126-D129 IonicContact ND1-OD2 3.07Å; H126-D129 PolarHBondContact ND1-OD2 3.32Å; H126-D129 PolarHBondContact O-N 3.34Å; D129-G131 VanDerWaalsContact C-N 3.25Å; D129-G131 PolarHBondContact O-N 2.91Å
130	F	98.8	Very high	97.8	Very high	21 Å²	21	50.6 Å²	50.6	9%	0.092	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	-13.6	-174.9	-53.9	-31.1	0	0	0	114	F68 V79 V97 I99 G128 F133 I144	F68-F130 HydrophobicContact CE1-CZ 4.02Å; F68-F130 HydrophobicContact CZ-CZ 4.5Å; V79-F130 HydrophobicContact CG1-CE2 4.21Å; V79-F130 HydrophobicContact CG1-CZ 4.3Å; V79-F130 HydrophobicContact CG2-CE1 4.23Å; V79-F130 HydrophobicContact CG2-CZ 4.22Å; V97-F130 HydrophobicContact CB-CD2 4.23Å; V97-F130 HydrophobicContact CG1-CD2 3.82Å; V97-F130 HydrophobicContact CG1-CE2 4.41Å; V97-F130 VanDerWaalsContact O-CB 3.23Å; V97-F130 WeakPolarHBondContact O-CB 3.11Å; V97-F130 PolarHBondContact O-N 2.8Å; I99-F130 HydrophobicContact CD1-CE1 4.14Å; I99-F130 HydrophobicContact CD1-CZ 3.67Å; I99-F130 HydrophobicContact CG1-CE1 4.24Å; I99-F130 HydrophobicContact CG1-CE2 4.1Å; I99-F130 HydrophobicContact CG1-CZ 3.56Å; G128-F130 PolarHBondContact O-N 3.33Å; G128-F130 VanDerWaalsContact O-N 3.12Å; F130-F133 HydrophobicContact CB-CE2 3.9Å; F130-F133 HydrophobicContact CB-CZ 4.05Å; F130-F133 WeakPolarHBondContact O-CZ 3.35Å; F130-I144 HydrophobicContact CB-CD1 3.58Å; F130-I144 HydrophobicContact CD1-CD1 4.02Å; F130-I144 HydrophobicContact CD2-CD1 4.42Å; F130-I144 HydrophobicContact CG-CD1 3.78Å
131	G	98.4	Very high	97.8	Very high	12 Å²	12	46.1 Å²	46.1	12%	0.124	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	84.8	-147.9	179	0	0	0	0	0	113.3	A96 V97 D129	A96-G131 VanDerWaalsContact CA-O 3.32Å; A96-G131 WeakPolarHBondContact CA-O 3.12Å; V97-G131 PolarHBondContact N-O 3.43Å; V97-G131 VanDerWaalsContact N-O 3.13Å; D129-G131 VanDerWaalsContact C-N 3.25Å; D129-G131 PolarHBondContact O-N 2.91Å
132	N	98.8	Very high	97.7	Very high	50 Å²	50	47.4 Å²	47.4	27%	0.267	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	135.9	-165.3	-74.3	-61.6	0	0	0	112.8	P94 R167 D168	P94-N132 HydrophobicContact CB-CB 4.05Å; N132-R167 WeakPolarHBondContact OD1-CA 3.27Å; N132-R167 WeakPolarHBondContact OD1-CG 3.36Å; N132-D168 PolarHBondContact ND2-O 3.06Å; N132-D168 PolarHBondContact OD1-N 2.76Å
133	F	98.6	Very high	97.7	Very high	16 Å²	16	45.5 Å²	45.5	7%	0.07	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	132	-179.6	-58.1	-81.4	0	0	0	111.3	L81 P94 R95 V97 F130 I140 E142 I144	L81-F133 HydrophobicContact CD1-CE1 4.39Å; L81-F133 HydrophobicContact CD1-CZ 4.28Å; L81-F133 HydrophobicContact CD2-CD1 4.49Å; L81-F133 HydrophobicContact CD2-CD2 3.96Å; L81-F133 HydrophobicContact CD2-CE1 4.35Å; L81-F133 HydrophobicContact CD2-CE2 3.84Å; L81-F133 HydrophobicContact CD2-CG 4.29Å; L81-F133 HydrophobicContact CD2-CZ 4.05Å; P94-F133 CarbonylContact C-O 3.54Å; P94-F133 WeakPolarHBondContact CA-O 3.4Å; R95-F133 PolarHBondContact N-O 3.1Å; R95-F133 PolarHBondContact O-N 2.7Å; V97-F133 HydrophobicContact CB-CD2 4.16Å; V97-F133 HydrophobicContact CB-CE2 4.04Å; V97-F133 HydrophobicContact CG2-CD2 3.71Å; V97-F133 HydrophobicContact CG2-CE2 4.1Å; F130-F133 HydrophobicContact CB-CE2 3.9Å; F130-F133 HydrophobicContact CB-CZ 4.05Å; F130-F133 WeakPolarHBondContact O-CZ 3.35Å; F133-I140 HydrophobicContact CB-CD1 3.76Å; F133-I140 HydrophobicContact CB-CG1 4.44Å; F133-I140 HydrophobicContact CB-CG2 3.84Å; F133-I140 HydrophobicContact CG-CG2 4.33Å; F133-E142 HydrophobicContact CD1-CB 3.99Å; F133-E142 HydrophobicContact CD1-CG 3.84Å; F133-E142 HydrophobicContact CE1-CB 4.07Å; F133-E142 HydrophobicContact CE1-CG 4.37Å; F133-I144 HydrophobicContact CE1-CG2 3.84Å; F133-I144 HydrophobicContact CZ-CD1 3.82Å; F133-I144 HydrophobicContact CZ-CG2 4.14Å
134	V	97.5	Very high	97.7	Very high	69 Å²	69	47 Å²	47	42%	0.418	24%	0.24	S	C	.	.			trans	-100.1	126.7	179.9	-177.8	0	0	0	0	109	P92 P94	P92-V134 HydrophobicContact CB-CG1 3.78Å; P92-V134 HydrophobicContact CG-CG1 3.81Å; P94-V134 HydrophobicContact CB-CG2 3.88Å; P94-V134 HydrophobicContact CG-CG2 3.72Å
135	S	96.3	Very high	97.8	Very high	6 Å²	6	50.6 Å²	50.6	4%	0.042	25%	0.251	C	S	.	.			trans	-74.4	140.3	176.2	59.7	0	0	0	0	111.9	P92 Q139	P92-S135 WeakPolarHBondContact CB-O 3.48Å; S135-Q139 CarbonylContact C-O 3.6Å; S135-Q139 VanDerWaalsContact CA-O 3.23Å; S135-Q139 WeakPolarHBondContact CA-O 3.37Å
136	Q	95.2	Very high	97.8	Very high	114 Å²	114	43.3 Å²	43.3	53%	0.533	22%	0.221	S	C	.	.	B	Isolated β-bridge	trans	-110.5	122.5	166.8	-63.2	179.1	8.9	0	0	108.1	G138 Q139	Q136-G138 PolarHBondContact O-N 3.07Å; Q136-Q139 PolarHBondContact N-O 2.85Å; Q136-Q139 PolarHBondContact O-N 2.87Å
137	E	94.3	Very high	97.7	Very high	165 Å²	165	48.8 Å²	48.8	77%	0.771	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.4	43.3	-178.5	-58.1	176.7	173.5	0	0	112.6	Q139	E137-Q139 PolarHBondContact O-N 3.33Å
138	G	95.9	Very high	97.7	Very high	8 Å²	8	48.6 Å²	48.6	8%	0.082	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	74	10.9	179.4	0	0	0	0	0	114.8	N84 G85 F86 Q136	N84-G138 CarbonylContact C-O 3.48Å; N84-G138 WeakPolarHBondContact CA-O 3.14Å; G85-G138 PolarHBondContact N-O 3.01Å; G85-G138 VanDerWaalsContact N-O 3.14Å; F86-G138 WeakPolarHBondContact CD2-O 3.31Å; F86-G138 PolarHBondContact N-O 3.2Å; F86-G138 VanDerWaalsContact O-CA 3.27Å; F86-G138 WeakPolarHBondContact O-CA 3.4Å; Q136-G138 PolarHBondContact O-N 3.07Å
139	Q	97.1	Very high	97.7	Very high	74 Å²	74	50 Å²	50	35%	0.346	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	144	-176.5	-57	178.8	23.9	0	0	112.8	L83 N84 S135 Q136 E137	L83-Q139 CarbonylContact O-C 3.45Å; L83-Q139 VanDerWaalsContact O-CA 3.32Å; L83-Q139 WeakPolarHBondContact O-CA 3.22Å; N84-Q139 WeakPolarHBondContact OD1-CG 3.28Å; S135-Q139 CarbonylContact C-O 3.6Å; S135-Q139 VanDerWaalsContact CA-O 3.23Å; S135-Q139 WeakPolarHBondContact CA-O 3.37Å; Q136-Q139 PolarHBondContact N-O 2.85Å; Q136-Q139 PolarHBondContact O-N 2.87Å; E137-Q139 PolarHBondContact O-N 3.33Å
140	I	97.8	Very high	97.7	Very high	3 Å²	3	49 Å²	49	2%	0.015	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	129.4	168	-63.7	172.1	0	0	0	107.7	L81 R82 L83 F86 F133 E142	L81-I140 HydrophobicContact CB-CG2 4.47Å; R82-I140 WeakPolarHBondContact CA-O 3.42Å; L83-I140 HydrophobicContact CB-CB 4.21Å; L83-I140 PolarHBondContact N-O 2.9Å; L83-I140 PolarHBondContact O-N 3.47Å; F86-I140 HydrophobicContact CD2-CD1 4.15Å; F86-I140 HydrophobicContact CD2-CG1 4.1Å; F86-I140 HydrophobicContact CE1-CD1 4.08Å; F86-I140 HydrophobicContact CE2-CB 4.17Å; F86-I140 HydrophobicContact CE2-CD1 3.46Å; F86-I140 VanDerWaalsContact CE2-CD1 3.46Å; F86-I140 HydrophobicContact CE2-CG1 3.64Å; F86-I140 HydrophobicContact CZ-CD1 3.42Å; F86-I140 VanDerWaalsContact CZ-CD1 3.42Å; F86-I140 HydrophobicContact CZ-CG1 4.14Å; F133-I140 HydrophobicContact CB-CD1 3.76Å; F133-I140 HydrophobicContact CB-CG1 4.44Å; F133-I140 HydrophobicContact CB-CG2 3.84Å; F133-I140 HydrophobicContact CG-CG2 4.33Å; I140-E142 HydrophobicContact CG2-CB 4.45Å; I140-E142 HydrophobicContact CG2-CG 3.91Å
141	S	97.5	Very high	97.6	Very high	15 Å²	15	48.7 Å²	48.7	11%	0.105	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	91.8	179.2	178.4	0	0	0	0	109.5	L81 R82 F208	L81-S141 VanDerWaalsContact O-CA 3.27Å; L81-S141 WeakPolarHBondContact O-CA 3.22Å; R82-S141 WeakPolarHBondContact CD-OG 3.36Å; R82-S141 PolarHBondContact NE-OG 2.78Å; S141-F208 VanDerWaalsContact O-CE2 3.32Å; S141-F208 WeakPolarHBondContact O-CE2 3.28Å
142	E	98.1	Very high	97.4	Very high	76 Å²	76	50.7 Å²	50.7	36%	0.355	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	144.2	-167.8	-67.2	-65.3	160.7	0	0	111.4	L80 L81 F133 I140	L80-E142 CarbonylContact C-O 3.56Å; L80-E142 WeakPolarHBondContact CA-O 3.18Å; L80-E142 WeakPolarHBondContact CD1-O 3.43Å; L81-E142 PolarHBondContact N-O 3.29Å; L81-E142 PolarHBondContact O-N 2.88Å; L81-E142 VanDerWaalsContact O-N 3.1Å; F133-E142 HydrophobicContact CD1-CB 3.99Å; F133-E142 HydrophobicContact CD1-CG 3.84Å; F133-E142 HydrophobicContact CE1-CB 4.07Å; F133-E142 HydrophobicContact CE1-CG 4.37Å; I140-E142 HydrophobicContact CG2-CB 4.45Å; I140-E142 HydrophobicContact CG2-CG 3.91Å
143	L	98.4	Very high	97.2	Very high	56 Å²	56	52.1 Å²	52.1	29%	0.293	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	121.1	174.6	178.1	65.3	0	0	0	108.7	V79 L80 W201 F208	V79-L143 WeakPolarHBondContact O-CA 3.35Å; L80-L143 HydrophobicContact CB-CD1 4.21Å; L80-L143 HydrophobicContact CD1-CB 4.31Å; L143-W201 HydrophobicContact CD1-CH2 3.91Å; L143-W201 HydrophobicContact CD1-CZ2 4.37Å; L143-F208 HydrophobicContact CB-CD1 4.28Å; L143-F208 HydrophobicContact CB-CE1 3.59Å; L143-F208 HydrophobicContact CB-CZ 3.78Å; L143-F208 HydrophobicContact CD2-CD1 4.48Å; L143-F208 HydrophobicContact CD2-CE1 4.05Å; L143-F208 HydrophobicContact CG-CE1 4.49Å
144	I	98.6	Very high	97.2	Very high	36 Å²	36	55.3 Å²	55.3	19%	0.185	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	169.6	-177.6	67.2	176.3	0	0	0	111.1	Q78 V79 L81 F130 F133	Q78-I144 WeakPolarHBondContact CA-O 3.18Å; V79-I144 HydrophobicContact CB-CD1 4.19Å; V79-I144 HydrophobicContact CB-CG1 3.7Å; V79-I144 HydrophobicContact CG1-CG1 4.49Å; V79-I144 HydrophobicContact CG2-CG1 4.34Å; V79-I144 PolarHBondContact N-O 3.45Å; V79-I144 PolarHBondContact O-N 2.97Å; L81-I144 HydrophobicContact CD1-CD1 3.93Å; L81-I144 HydrophobicContact CD1-CG1 4.09Å; F130-I144 HydrophobicContact CB-CD1 3.58Å; F130-I144 HydrophobicContact CD1-CD1 4.02Å; F130-I144 HydrophobicContact CD2-CD1 4.42Å; F130-I144 HydrophobicContact CG-CD1 3.78Å; F133-I144 HydrophobicContact CE1-CG2 3.84Å; F133-I144 HydrophobicContact CZ-CD1 3.82Å; F133-I144 HydrophobicContact CZ-CG2 4.14Å
145	E	98.4	Very high	97.2	Very high	132 Å²	132	52.8 Å²	52.8	62%	0.617	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110	153.8	167.7	-63.2	-171.6	151.1	0	0	110.8	K76 L77	K76-E145 HydrophobicContact CB-CB 4.44Å; L77-E145 CarbonylContact O-C 3.57Å; L77-E145 VanDerWaalsContact O-CA 3.32Å; L77-E145 WeakPolarHBondContact O-CA 3.28Å
146	S	98.5	Very high	97.3	Very high	9 Å²	9	52.5 Å²	52.5	6%	0.063	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	151	-177.5	164.3	0	0	0	0	111.3	L77 P127 A148	L77-S146 PolarHBondContact N-O 3.33Å; L77-S146 PolarHBondContact O-N 2.94Å; P127-S146 PolarHBondContact O-OG 2.88Å; S146-A148 VanDerWaalsContact C-N 3.26Å; S146-A148 WeakPolarHBondContact OG-CB 3.37Å; S146-A148 PolarHBondContact OG-N 3.13Å
147	E	97.9	Very high	97.5	Very high	129 Å²	129	49.4 Å²	49.4	60%	0.603	28%	0.282	S	S	*	.	S	Bend	trans	-79.3	-5.8	171.7	-58.6	-57.4	145.3	0	0	113.2	K76 P127	K76-E147 IonicContact NZ-OE1 2.9Å; K76-E147 PolarHBondContact NZ-OE1 2.91Å; K76-E147 IonicContact NZ-OE2 3.97Å; K76-E147 PolarHBondContact NZ-OE2 3.16Å; P127-E147 HydrophobicContact CB-CB 4.28Å
148	A	98.5	Very high	97.7	Very high	4 Å²	4	43.7 Å²	43.7	3%	0.033	27%	0.268	C	S	.	.			trans	-65	160.7	169.1	0	0	0	0	0	110.6	L77 I99 P127 S146	L77-A148 WeakPolarHBondContact CB-O 3.23Å; L77-A148 HydrophobicContact CD2-CB 3.74Å; I99-A148 HydrophobicContact CD1-CB 3.83Å; P127-A148 HydrophobicContact CB-CB 4.01Å; P127-A148 PolarHBondContact O-N 3.31Å; S146-A148 VanDerWaalsContact C-N 3.26Å; S146-A148 WeakPolarHBondContact OG-CB 3.37Å; S146-A148 PolarHBondContact OG-N 3.13Å
149	T	98.5	Very high	97.8	Very high	31 Å²	31	45.7 Å²	45.7	19%	0.19	27%	0.273	C	S	.	.			trans	-134.7	149.9	-177.7	-176.5	0	0	0	0	110.4	Q70 F151 S155 A156	Q70-T149 PolarHBondContact NE2-OG1 3.35Å; Q70-T149 PolarHBondContact OE1-OG1 2.95Å; T149-F151 WeakPolarHBondContact CG2-O 3.23Å; T149-F151 PolarHBondContact OG1-N 2.82Å; T149-F151 VanDerWaalsContact OG1-N 3.08Å; T149-S155 CarbonylContact O-C 3.54Å; T149-S155 VanDerWaalsContact O-CA 3.28Å; T149-S155 WeakPolarHBondContact O-CA 3.06Å; T149-A156 PolarHBondContact O-N 3.24Å
150	L	98.4	Very high	97.9	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.021	26%	0.256	C	S	.	.	S	Bend	trans	-89.7	-9	168	-60.2	-179.3	0	0	0	111.6	L43 A45 F68 Q70 L77 S155 L157	L43-L150 HydrophobicContact CB-CB 4.11Å; L43-L150 HydrophobicContact CB-CD1 3.88Å; L43-L150 HydrophobicContact CD1-CB 4.13Å; A45-L150 HydrophobicContact CB-CD1 4.22Å; A45-L150 HydrophobicContact CB-CD2 3.9Å; F68-L150 HydrophobicContact CB-CD1 4.18Å; F68-L150 HydrophobicContact CB-CD2 4.32Å; Q70-L150 HydrophobicContact CB-CD1 4.26Å; Q70-L150 HydrophobicContact CB-CG 4.45Å; L77-L150 HydrophobicContact CD1-CD1 3.98Å; L77-L150 HydrophobicContact CD1-CD2 4.23Å; L77-L150 HydrophobicContact CD1-CG 3.72Å; L150-S155 WeakPolarHBondContact CA-OG 3.34Å; L150-S155 WeakPolarHBondContact O-CB 3.47Å; L150-S155 PolarHBondContact O-OG 3.07Å; L150-L157 HydrophobicContact CD2-CD2 4.14Å; L150-L157 HydrophobicContact CD2-CG 4.19Å
151	F	97.2	Very high	98	Very high	14 Å²	14	42 Å²	42	6%	0.061	26%	0.256	C	S	.	.	S	Bend	trans	-100.7	155.9	-174.3	-66.5	-93.3	0	0	0	113.4	L32 F36 L43 Q70 Q72 T149 S155	L32-F151 HydrophobicContact CD2-CD1 4.08Å; L32-F151 HydrophobicContact CD2-CE1 4.32Å; F36-F151 AromaticContact CD2-CE1 3.45Å; F36-F151 HydrophobicContact CD2-CE1 3.45Å; F36-F151 VanDerWaalsContact CD2-CE1 3.45Å; F36-F151 AromaticContact CD2-CZ 3.78Å; F36-F151 HydrophobicContact CD2-CZ 3.78Å; F36-F151 AromaticContact CE2-CE1 3.66Å; F36-F151 HydrophobicContact CE2-CE1 3.66Å; F36-F151 AromaticContact CE2-CZ 3.89Å; F36-F151 HydrophobicContact CE2-CZ 3.89Å; L43-F151 HydrophobicContact CB-CE2 4.25Å; L43-F151 HydrophobicContact CB-CZ 4.12Å; L43-F151 HydrophobicContact CD1-CD1 3.66Å; L43-F151 HydrophobicContact CD1-CD2 4.1Å; L43-F151 HydrophobicContact CD1-CE1 3.42Å; L43-F151 VanDerWaalsContact CD1-CE1 3.42Å; L43-F151 HydrophobicContact CD1-CE2 3.87Å; L43-F151 HydrophobicContact CD1-CG 4.01Å; L43-F151 HydrophobicContact CD1-CZ 3.54Å; L43-F151 HydrophobicContact CG-CD1 4.46Å; L43-F151 HydrophobicContact CG-CE1 3.73Å; L43-F151 HydrophobicContact CG-CE2 4.02Å; L43-F151 HydrophobicContact CG-CZ 3.48Å; L43-F151 VanDerWaalsContact CG-CZ 3.48Å; Q70-F151 HydrophobicContact CB-CE2 4.09Å; Q70-F151 HydrophobicContact CG-CD2 4.32Å; Q70-F151 HydrophobicContact CG-CE2 3.99Å; Q72-F151 WeakPolarHBondContact O-CE2 3.49Å; T149-F151 WeakPolarHBondContact CG2-O 3.23Å; T149-F151 PolarHBondContact OG1-N 2.82Å; T149-F151 VanDerWaalsContact OG1-N 3.08Å; F151-S155 PolarHBondContact O-N 2.83Å
152	G	94.6	Very high	98.1	Very high	54 Å²	54	41.3 Å²	41.3	56%	0.557	25%	0.251	S	S	*	.	S	Bend	trans	65.5	-171.9	169.3	0	0	0	0	0	114.9	L154 S155	G152-L154 PolarHBondContact O-N 2.91Å; G152-S155 VanDerWaalsContact O-CB 3.25Å; G152-S155 WeakPolarHBondContact O-CB 3.16Å; G152-S155 PolarHBondContact O-N 3Å
153	G	94.7	Very high	98.1	Very high	80 Å²	80	37.7 Å²	37.7	83%	0.825	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-18.4	-176.1	0	0	0	0	0	114.5	S155	G153-S155 VanDerWaalsContact C-N 3.32Å
154	L	96.9	Very high	98.1	Very high	82 Å²	82	35.3 Å²	35.3	43%	0.429	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	11.5	177.4	-57.7	-173.6	0	0	0	113.1	Y116 P118 F119 G152	Y116-L154 WeakPolarHBondContact CE1-O 3.26Å; Y116-L154 VanDerWaalsContact OH-CA 3.25Å; Y116-L154 WeakPolarHBondContact OH-CA 3.45Å; Y116-L154 PolarHBondContact OH-O 2.86Å; P118-L154 HydrophobicContact CB-CD1 4.4Å; P118-L154 HydrophobicContact CB-CD2 3.89Å; F119-L154 HydrophobicContact CE1-CD1 3.56Å; F119-L154 HydrophobicContact CZ-CD1 3.72Å; G152-L154 PolarHBondContact O-N 2.91Å
155	S	98.3	Very high	98.1	Very high	16 Å²	16	35 Å²	35	11%	0.112	22%	0.219	C	C	.	.			trans	-54	146.7	-179	-176.8	0	0	0	0	113	T149 L150 F151 G152 G153 L157 R159	T149-S155 CarbonylContact O-C 3.54Å; T149-S155 VanDerWaalsContact O-CA 3.28Å; T149-S155 WeakPolarHBondContact O-CA 3.06Å; L150-S155 WeakPolarHBondContact CA-OG 3.34Å; L150-S155 WeakPolarHBondContact O-CB 3.47Å; L150-S155 PolarHBondContact O-OG 3.07Å; F151-S155 PolarHBondContact O-N 2.83Å; G152-S155 VanDerWaalsContact O-CB 3.25Å; G152-S155 WeakPolarHBondContact O-CB 3.16Å; G152-S155 PolarHBondContact O-N 3Å; G153-S155 VanDerWaalsContact C-N 3.32Å; S155-L157 VanDerWaalsContact C-N 3.31Å; S155-L157 WeakPolarHBondContact OG-CB 3.35Å; S155-L157 WeakPolarHBondContact OG-CG 3.48Å; S155-L157 PolarHBondContact OG-N 3.24Å; S155-L157 VanDerWaalsContact OG-N 3.08Å; S155-R159 PolarHBondContact O-NE 2.82Å; S155-R159 PolarHBondContact O-NH2 3.33Å
156	A	98.7	Very high	98	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.008	21%	0.213	C	C	.	.			trans	-80.1	-10.9	169.9	0	0	0	0	0	112.9	I99 T149 G158 R159 I193	I99-A156 HydrophobicContact CD1-CB 3.88Å; T149-A156 PolarHBondContact O-N 3.24Å; A156-G158 PolarHBondContact O-N 3.05Å; A156-R159 WeakPolarHBondContact O-CB 3.19Å; A156-R159 WeakPolarHBondContact O-CG 3.29Å; A156-R159 PolarHBondContact O-N 3.21Å; A156-I193 HydrophobicContact CB-CD1 4.1Å
157	L	98.7	Very high	98	Very high	48 Å²	48	41.3 Å²	41.3	25%	0.251	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	135.6	175	-69	171.7	0	0	0	110.6	A45 L150 S155 R159 I193 M195	A45-L157 HydrophobicContact CB-CD2 3.71Å; L150-L157 HydrophobicContact CD2-CD2 4.14Å; L150-L157 HydrophobicContact CD2-CG 4.19Å; S155-L157 VanDerWaalsContact C-N 3.31Å; S155-L157 WeakPolarHBondContact OG-CB 3.35Å; S155-L157 WeakPolarHBondContact OG-CG 3.48Å; S155-L157 PolarHBondContact OG-N 3.24Å; S155-L157 VanDerWaalsContact OG-N 3.08Å; L157-R159 PolarHBondContact O-N 2.93Å; L157-I193 HydrophobicContact CD2-CG2 4.29Å; L157-M195 HydrophobicContact CD1-CE 3.65Å; L157-M195 HydrophobicContact CD2-CB 4.34Å
158	G	98.8	Very high	98	Very high	46 Å²	46	35.3 Å²	35.3	47%	0.474	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	-3.4	-176.3	0	0	0	0	0	115	G103 A156 I193	G103-G158 WeakPolarHBondContact CA-O 3.49Å; G103-G158 PolarHBondContact N-O 3.19Å; G103-G158 VanDerWaalsContact N-O 3.16Å; A156-G158 PolarHBondContact O-N 3.05Å; G158-I193 PolarHBondContact N-O 3.42Å
159	R	98.9	Very high	98	Very high	49 Å²	49	36.9 Å²	36.9	19%	0.185	22%	0.219	C	C	.	.			trans	-86.4	176.9	172.1	-55.9	-167.9	-170.3	-79.7	-1.3	111.1	I99 H100 Q101 Y116 S155 A156 L157 V192 I193	I99-R159 HydrophobicContact CG2-CB 3.82Å; H100-R159 WeakPolarHBondContact O-CB 3.35Å; Q101-R159 PolarHBondContact O-NH1 2.86Å; Y116-R159 VanDerWaalsContact CD2-CZ 3.41Å; Y116-R159 VanDerWaalsContact CE2-NE 3.28Å; Y116-R159 VanDerWaalsContact CZ-NE 3.26Å; Y116-R159 VanDerWaalsContact CZ-NH2 3.33Å; Y116-R159 PolarHBondContact OH-NH2 2.82Å; S155-R159 PolarHBondContact O-NE 2.82Å; S155-R159 PolarHBondContact O-NH2 3.33Å; A156-R159 WeakPolarHBondContact O-CB 3.19Å; A156-R159 WeakPolarHBondContact O-CG 3.29Å; A156-R159 PolarHBondContact O-N 3.21Å; L157-R159 PolarHBondContact O-N 2.93Å; R159-V192 CarbonylContact O-C 3.58Å; R159-V192 WeakPolarHBondContact O-CA 3.28Å; R159-I193 PolarHBondContact O-N 3.07Å
160	A	98.9	Very high	98	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	140.3	-179.9	0	0	0	0	0	112.7	I99 H100 Y102 T112 C191	I99-A160 CarbonylContact C-O 3.55Å; I99-A160 VanDerWaalsContact CA-O 3.26Å; I99-A160 WeakPolarHBondContact CA-O 3.4Å; H100-A160 HydrophobicContact CB-CB 4.41Å; H100-A160 PolarHBondContact N-O 3.49Å; H100-A160 PolarHBondContact O-N 3.4Å; Y102-A160 VanDerWaalsContact O-CB 3.24Å; Y102-A160 WeakPolarHBondContact O-CB 3.33Å; T112-A160 HydrophobicContact CG2-CB 3.57Å; A160-C191 CarbonylContact C-O 3.48Å; A160-C191 WeakPolarHBondContact CA-O 3.43Å; A160-C191 WeakPolarHBondContact CB-O 3.4Å
161	V	98.9	Very high	98	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	138.6	156.8	178.7	0	0	0	0	108.1	C47 V66 F68 V97 H98 I163 C190 C191 I193	C47-V161 HydrophobicContact CB-CG2 4.3Å; V66-V161 HydrophobicContact CB-CG2 4.46Å; V66-V161 HydrophobicContact CG1-CG2 4.49Å; V66-V161 HydrophobicContact CG2-CG1 4.09Å; F68-V161 HydrophobicContact CE2-CG2 4.18Å; F68-V161 HydrophobicContact CZ-CG2 3.69Å; V97-V161 HydrophobicContact CG1-CG1 3.59Å; H98-V161 CarbonylContact O-C 3.51Å; H98-V161 WeakPolarHBondContact O-CA 3.25Å; V161-I163 HydrophobicContact CG1-CD1 4.17Å; V161-C190 CarbonylContact O-C 3.58Å; V161-C190 WeakPolarHBondContact O-CA 3.36Å; V161-C190 WeakPolarHBondContact O-CB 3.33Å; V161-C191 PolarHBondContact N-O 3.3Å; V161-C191 PolarHBondContact O-N 2.87Å; V161-C191 VanDerWaalsContact O-N 3.12Å; V161-I193 HydrophobicContact CG2-CD1 3.85Å; V161-I193 HydrophobicContact CG2-CG1 3.81Å
162	V	98.9	Very high	98.1	Very high	0 Å²	0	46 Å²	46	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	132.8	176.8	-179.9	0	0	0	0	109.7	V97 H98 H100 T112 R187 A189 C190	V97-V162 WeakPolarHBondContact CA-O 3.42Å; H98-V162 PolarHBondContact N-O 2.86Å; H98-V162 PolarHBondContact O-N 3.29Å; H100-V162 HydrophobicContact CB-CG2 3.86Å; H100-V162 VanDerWaalsContact CD2-CB 3.48Å; H100-V162 WeakPolarHBondContact CD2-CB 3.23Å; H100-V162 WeakPolarHBondContact CD2-CG2 3.41Å; H100-V162 VanDerWaalsContact CG-CG2 3.46Å; T112-V162 HydrophobicContact CG2-CG2 4.39Å; V162-R187 HydrophobicContact CG1-CB 3.7Å; V162-R187 HydrophobicContact CG1-CG 3.68Å; V162-A189 WeakPolarHBondContact CA-O 3.32Å; V162-C190 HydrophobicContact CG2-CB 4.05Å
163	I	98.9	Very high	98.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	127.8	174.2	-60.8	71.1	0	0	0	107.2	V49 V62 L83 F86 V97 V161 L188 A189	V49-I163 HydrophobicContact CB-CD1 4.45Å; V49-I163 HydrophobicContact CG1-CD1 3.58Å; V49-I163 HydrophobicContact CG2-CD1 3.94Å; V62-I163 HydrophobicContact CG1-CG2 4.29Å; L83-I163 HydrophobicContact CD1-CG1 3.82Å; L83-I163 HydrophobicContact CD2-CD1 4.48Å; L83-I163 HydrophobicContact CD2-CG1 4.47Å; F86-I163 HydrophobicContact CE1-CG2 4.29Å; F86-I163 HydrophobicContact CZ-CG2 4.41Å; V97-I163 HydrophobicContact CG1-CG1 4.39Å; V97-I163 HydrophobicContact CG2-CG1 4.17Å; V97-I163 HydrophobicContact CG2-CG2 4.47Å; V161-I163 HydrophobicContact CG1-CD1 4.17Å; I163-L188 PolarHBondContact O-N 3.34Å; I163-A189 HydrophobicContact CB-CB 4.45Å; I163-A189 HydrophobicContact CD1-CB 4.39Å; I163-A189 PolarHBondContact N-O 2.69Å; I163-A189 PolarHBondContact O-N 2.8Å
164	H	98.8	Very high	98.3	Very high	6 Å²	6	45.5 Å²	45.5	3%	0.028	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	158.8	-173.1	-74.4	-97.7	0	0	0	113.6	R95 A96 H98 H100 A184 G185 R186	R95-H164 WeakPolarHBondContact CD-O 3.49Å; A96-H164 HydrophobicContact CB-CB 3.93Å; A96-H164 PolarHBondContact O-N 3.26Å; H98-H164 AromaticContact CE1-CD2 3.87Å; H98-H164 AromaticContact CE1-NE2 3.98Å; H98-H164 AromaticContact ND1-CD2 3.24Å; H98-H164 PolarHBondContact ND1-CD2 3.18Å; H98-H164 AromaticContact ND1-CE1 3.96Å; H98-H164 AromaticContact ND1-NE2 3.07Å; H98-H164 PolarHBondContact ND1-NE2 2.97Å; H100-H164 AromaticContact NE2-CE1 3.81Å; H100-H164 AromaticContact NE2-NE2 3.33Å; H100-H164 PolarHBondContact NE2-NE2 3.5Å; H164-A184 HydrophobicContact CB-CB 3.71Å; H164-A184 WeakPolarHBondContact CB-O 3.29Å; H164-G185 PolarHBondContact ND1-O 3.25Å; H164-R186 CarbonylContact C-O 3.47Å; H164-R186 VanDerWaalsContact CA-O 3.3Å; H164-R186 WeakPolarHBondContact CA-O 3.35Å
165	E	97.5	Very high	98.4	Very high	31 Å²	31	45.3 Å²	45.3	15%	0.145	26%	0.264	C	S	.	.	S	Bend	trans	-70	-32.7	178.7	-175.4	-173.2	-174.6	0	0	111.7	R95 R186 L188	R95-E165 VanDerWaalsContact CD-O 3.23Å; R95-E165 WeakPolarHBondContact CD-O 3.32Å; R95-E165 VanDerWaalsContact CZ-O 3.23Å; R95-E165 PolarHBondContact NE-O 3.02Å; R95-E165 PolarHBondContact NH1-O 3.35Å; E165-R186 HydrophobicContact CB-CB 4.04Å; E165-R186 WeakPolarHBondContact CB-O 3.43Å; E165-R186 VanDerWaalsContact CD-NH1 3.33Å; E165-R186 PolarHBondContact N-O 3.03Å; E165-R186 IonicContact OE1-NH1 2.62Å; E165-R186 PolarHBondContact OE1-NH1 3.39Å; E165-R186 VanDerWaalsContact OE2-CB 3.23Å; E165-R186 WeakPolarHBondContact OE2-CB 3.45Å; E165-R186 VanDerWaalsContact OE2-CD 3.28Å; E165-R186 WeakPolarHBondContact OE2-CD 3.41Å; E165-R186 WeakPolarHBondContact OE2-CG 3.32Å; E165-R186 IonicContact OE2-CZ 2.95Å; E165-R186 PolarHBondContact OE2-N 2.84Å; E165-R186 IonicContact OE2-NE 3.77Å; E165-R186 IonicContact OE2-NH1 3.77Å; E165-R186 PolarHBondContact OE2-NH1 2.81Å; E165-L188 HydrophobicContact CB-CD1 4.5Å; E165-L188 HydrophobicContact CB-CD2 4.13Å; E165-L188 HydrophobicContact CB-CG 4.14Å; E165-L188 HydrophobicContact CG-CD2 4.37Å
166	K	97.9	Very high	98.4	Very high	112 Å²	112	50.9 Å²	50.9	49%	0.487	29%	0.291	S	S	.	.	S	Bend	trans	-122.4	172.7	-173.2	-59.8	176	173.2	-178.8	0	111.7	P94 A96 A184	P94-K166 CarbonylContact O-C 3.59Å; A96-K166 PolarHBondContact N-O 3.48Å; A96-K166 VanDerWaalsContact N-O 3.08Å; K166-A184 WeakPolarHBondContact CA-O 3.45Å; K166-A184 WeakPolarHBondContact CB-O 3.47Å; K166-A184 PolarHBondContact N-O 3.01Å
167	R	98.3	Very high	98.3	Very high	161 Å²	161	51.4 Å²	51.4	61%	0.608	30%	0.297	S	S	*	.			trans	-60.6	139.5	164.5	175.6	-173.5	-67.1	-151.8	1	109.5	P94 N132	P94-R167 HydrophobicContact CB-CB 4.36Å; P94-R167 HydrophobicContact CB-CG 4.5Å; P94-R167 WeakPolarHBondContact O-CA 3.5Å; P94-R167 PolarHBondContact O-N 3.32Å; P94-R167 VanDerWaalsContact O-N 3.11Å; N132-R167 WeakPolarHBondContact OD1-CA 3.27Å; N132-R167 WeakPolarHBondContact OD1-CG 3.36Å
168	D	98.6	Very high	98.3	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.011	29%	0.285	C	S	.	.			trans	-75.3	125.6	163.5	-162	-60.6	0	0	0	110.9	A96 H98 H123 N132 L170 G182	A96-D168 HydrophobicContact CB-CB 3.66Å; H98-D168 IonicContact CE1-OD2 2.64Å; H98-D168 PolarHBondContact CE1-OD2 3.41Å; H98-D168 IonicContact NE2-OD2 2.76Å; H98-D168 PolarHBondContact NE2-OD2 3.03Å; H123-D168 IonicContact CD2-OD1 3.36Å; H123-D168 VanDerWaalsContact CE1-CG 3.48Å; H123-D168 IonicContact CE1-OD1 3.02Å; H123-D168 PolarHBondContact CE1-OD1 3.26Å; H123-D168 IonicContact CE1-OD2 3.93Å; H123-D168 PolarHBondContact CE1-OD2 3.04Å; H123-D168 IonicContact NE2-OD1 2.69Å; H123-D168 PolarHBondContact NE2-OD1 2.95Å; H123-D168 IonicContact NE2-OD2 3.48Å; H123-D168 PolarHBondContact NE2-OD2 2.9Å; N132-D168 PolarHBondContact ND2-O 3.06Å; N132-D168 PolarHBondContact OD1-N 2.76Å; D168-L170 HydrophobicContact CB-CD2 4.25Å; D168-L170 PolarHBondContact O-N 3.12Å; D168-L170 VanDerWaalsContact OD1-CA 3.28Å; D168-L170 WeakPolarHBondContact OD1-CA 3.28Å; D168-L170 PolarHBondContact OD1-N 3.36Å; D168-G182 CarbonylContact C-O 3.5Å; D168-G182 WeakPolarHBondContact CA-O 3.36Å; D168-G182 WeakPolarHBondContact OD1-CA 3.49Å
169	D	98.6	Very high	98.3	Very high	38 Å²	38	50.4 Å²	50.4	20%	0.203	28%	0.28	C	S	.	.			trans	-78.9	-1.7	178.1	72.5	21.9	0	0	0	114.7	G171 L172 S178 G182 N183	D169-G171 VanDerWaalsContact C-N 3.27Å; D169-G171 PolarHBondContact O-N 2.9Å; D169-G171 PolarHBondContact OD1-N 3.09Å; D169-L172 VanDerWaalsContact O-CB 3.27Å; D169-L172 WeakPolarHBondContact O-CB 3.28Å; D169-L172 PolarHBondContact O-N 3.19Å; D169-L172 VanDerWaalsContact O-N 3.07Å; D169-S178 WeakPolarHBondContact OD1-CA 3.31Å; D169-S178 WeakPolarHBondContact OD1-CB 3.5Å; D169-S178 PolarHBondContact OD1-OG 2.81Å; D169-S178 WeakPolarHBondContact OD2-CB 3.18Å; D169-S178 PolarHBondContact OD2-OG 3.39Å; D169-S178 VanDerWaalsContact OD2-OG 3.13Å; D169-G182 PolarHBondContact N-O 3.01Å; D169-G182 VanDerWaalsContact OD1-CA 3.31Å; D169-G182 WeakPolarHBondContact OD1-CA 3.39Å; D169-N183 WeakPolarHBondContact OD2-CB 3.38Å; D169-N183 PolarHBondContact OD2-ND2 2.93Å
170	L	98.3	Very high	98.2	Very high	73 Å²	73	52.8 Å²	52.8	38%	0.382	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	32.6	175.1	-55	176.3	0	0	0	113.7	P124 D168 L172	P124-L170 HydrophobicContact CB-CD2 4.31Å; P124-L170 WeakPolarHBondContact CD-O 3.43Å; P124-L170 HydrophobicContact CG-CB 4.3Å; P124-L170 WeakPolarHBondContact CG-O 3.29Å; D168-L170 HydrophobicContact CB-CD2 4.25Å; D168-L170 PolarHBondContact O-N 3.12Å; D168-L170 VanDerWaalsContact OD1-CA 3.28Å; D168-L170 WeakPolarHBondContact OD1-CA 3.28Å; D168-L170 PolarHBondContact OD1-N 3.36Å; L170-L172 VanDerWaalsContact C-N 3.27Å; L170-L172 PolarHBondContact O-N 3.17Å
171	G	98.3	Very high	98.2	Very high	16 Å²	16	56.4 Å²	56.4	17%	0.165	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	9.9	-178.3	0	0	0	0	0	113.7	D169 S178	D169-G171 VanDerWaalsContact C-N 3.27Å; D169-G171 PolarHBondContact O-N 2.9Å; D169-G171 PolarHBondContact OD1-N 3.09Å; G171-S178 WeakPolarHBondContact CA-O 3.1Å; G171-S178 WeakPolarHBondContact CA-OG 3.23Å; G171-S178 PolarHBondContact O-OG 2.9Å
172	L	98.3	Very high	98.2	Very high	150 Å²	150	56.4 Å²	56.4	79%	0.785	31%	0.313	S	S	*	.			trans	-101.9	4.6	-175	-53.6	176.1	0	0	0	113.8	D169 L170 G174 S178	D169-L172 VanDerWaalsContact O-CB 3.27Å; D169-L172 WeakPolarHBondContact O-CB 3.28Å; D169-L172 PolarHBondContact O-N 3.19Å; D169-L172 VanDerWaalsContact O-N 3.07Å; L170-L172 VanDerWaalsContact C-N 3.27Å; L170-L172 PolarHBondContact O-N 3.17Å; L172-G174 VanDerWaalsContact C-N 3.35Å; L172-S178 PolarHBondContact N-OG 3.3Å; L172-S178 VanDerWaalsContact N-OG 3.15Å
173	G	97.3	Very high	98.2	Very high	42 Å²	42	59 Å²	59	43%	0.433	33%	0.327	S	S	.	.	S	Bend	trans	-75.9	-18	-178.7	0	0	0	0	0	114.6	S178	G173-S178 PolarHBondContact N-OG 3.5Å
174	G	97.6	Very high	98.2	Very high	82 Å²	82	59 Å²	59	85%	0.845	33%	0.327	S	S	*	.	S	Bend	trans	81.7	10.6	177	0	0	0	0	0	115.3	L172	L172-G174 VanDerWaalsContact C-N 3.35Å
175	D	98.1	Very high	98.1	Very high	78 Å²	78	60.6 Å²	60.6	42%	0.417	34%	0.344	S	S	.	.	S	Bend	trans	-124.2	174.7	175.3	67.5	53.7	0	0	0	112.4	G177 S178 N183	D175-G177 VanDerWaalsContact C-N 3.35Å; D175-G177 VanDerWaalsContact OD1-CA 3.29Å; D175-G177 WeakPolarHBondContact OD1-CA 3.37Å; D175-G177 PolarHBondContact OD1-N 3.4Å; D175-S178 WeakPolarHBondContact O-CB 3.37Å; D175-S178 PolarHBondContact O-N 3.41Å; D175-S178 PolarHBondContact OD1-N 3.01Å; D175-N183 PolarHBondContact OD1-ND2 2.98Å; D175-N183 PolarHBondContact OD2-ND2 3Å
176	I	97.7	Very high	98.1	Very high	134 Å²	134	65.7 Å²	65.7	69%	0.687	36%	0.362	S	S	*	.	H	α-helix	trans	-66	-37.7	-179.1	-63.5	173.3	0	0	0	111.3	S178 L179 L180	I176-S178 VanDerWaalsContact C-N 3.27Å; I176-S178 PolarHBondContact O-N 2.81Å; I176-L179 PolarHBondContact O-N 3.25Å; I176-L180 HydrophobicContact CG2-CD1 3.65Å; I176-L180 HydrophobicContact CG2-CG 4.08Å; I176-L180 VanDerWaalsContact O-CG 3.31Å; I176-L180 WeakPolarHBondContact O-CG 3.3Å; I176-L180 PolarHBondContact O-N 3.27Å; I176-L180 VanDerWaalsContact O-N 3.09Å
177	G	97.8	Very high	98.2	Very high	12 Å²	12	63 Å²	63	12%	0.124	35%	0.349	C	S	.	.	H	α-helix	trans	-64	-34.4	179.9	0	0	0	0	0	112.3	D175 L180 H181 G182 N183	D175-G177 VanDerWaalsContact C-N 3.35Å; D175-G177 VanDerWaalsContact OD1-CA 3.29Å; D175-G177 WeakPolarHBondContact OD1-CA 3.37Å; D175-G177 PolarHBondContact OD1-N 3.4Å; G177-L180 PolarHBondContact O-N 2.62Å; G177-H181 CarbonylContact O-C 3.53Å; G177-H181 PolarHBondContact O-CE1 3.2Å; G177-H181 PolarHBondContact O-N 2.77Å; G177-H181 PolarHBondContact O-ND1 3.1Å; G177-G182 PolarHBondContact O-N 3.1Å; G177-N183 WeakPolarHBondContact CA-OD1 3.43Å
178	S	98.3	Very high	98.2	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-59.4	-47	172.9	-175.2	0	0	0	0	111.4	H123 D169 G171 L172 G173 D175 I176 L180 G182 N183	H123-S178 PolarHBondContact CD2-O 2.7Å; D169-S178 WeakPolarHBondContact OD1-CA 3.31Å; D169-S178 WeakPolarHBondContact OD1-CB 3.5Å; D169-S178 PolarHBondContact OD1-OG 2.81Å; D169-S178 WeakPolarHBondContact OD2-CB 3.18Å; D169-S178 PolarHBondContact OD2-OG 3.39Å; D169-S178 VanDerWaalsContact OD2-OG 3.13Å; G171-S178 WeakPolarHBondContact CA-O 3.1Å; G171-S178 WeakPolarHBondContact CA-OG 3.23Å; G171-S178 PolarHBondContact O-OG 2.9Å; L172-S178 PolarHBondContact N-OG 3.3Å; L172-S178 VanDerWaalsContact N-OG 3.15Å; G173-S178 PolarHBondContact N-OG 3.5Å; D175-S178 WeakPolarHBondContact O-CB 3.37Å; D175-S178 PolarHBondContact O-N 3.41Å; D175-S178 PolarHBondContact OD1-N 3.01Å; I176-S178 VanDerWaalsContact C-N 3.27Å; I176-S178 PolarHBondContact O-N 2.81Å; S178-L180 VanDerWaalsContact C-N 3.3Å; S178-L180 PolarHBondContact O-N 3.45Å; S178-G182 WeakPolarHBondContact O-CA 3.27Å; S178-G182 PolarHBondContact O-N 2.86Å; S178-G182 VanDerWaalsContact O-N 3.12Å; S178-N183 PolarHBondContact N-ND2 3.32Å
179	L	98.3	Very high	98.2	Very high	73 Å²	73	55.3 Å²	55.3	38%	0.382	32%	0.32	S	S	.	.	H	α-helix	trans	-76.4	-12	178.9	-62.6	179.5	0	0	0	114.6	N122 H123 I176	N122-L179 HydrophobicContact CB-CB 4.43Å; H123-L179 VanDerWaalsContact CB-O 3.27Å; H123-L179 WeakPolarHBondContact CB-O 3.5Å; H123-L179 PolarHBondContact N-O 3.41Å; I176-L179 PolarHBondContact O-N 3.25Å
180	L	98	Very high	98.2	Very high	98 Å²	98	53.8 Å²	53.8	51%	0.513	31%	0.313	S	S	.	.	H	α-helix	trans	-99.7	-41.9	179	-71.2	179.4	0	0	0	113.2	H126 I176 G177 S178	H126-L180 PolarHBondContact CE1-O 3.35Å; I176-L180 HydrophobicContact CG2-CD1 3.65Å; I176-L180 HydrophobicContact CG2-CG 4.08Å; I176-L180 VanDerWaalsContact O-CG 3.31Å; I176-L180 WeakPolarHBondContact O-CG 3.3Å; I176-L180 PolarHBondContact O-N 3.27Å; I176-L180 VanDerWaalsContact O-N 3.09Å; G177-L180 PolarHBondContact O-N 2.62Å; S178-L180 VanDerWaalsContact C-N 3.3Å; S178-L180 PolarHBondContact O-N 3.45Å
181	H	98.2	Very high	98.3	Very high	77 Å²	77	50.5 Å²	50.5	36%	0.356	30%	0.296	S	S	.	.	H	α-helix	trans	-155	20.3	-168.8	60.1	63.4	0	0	0	113.4	H115 G177 N183 A184	H115-H181 WeakPolarHBondContact NE2-CB 3.32Å; G177-H181 CarbonylContact O-C 3.53Å; G177-H181 PolarHBondContact O-CE1 3.2Å; G177-H181 PolarHBondContact O-N 2.77Å; G177-H181 PolarHBondContact O-ND1 3.1Å; H181-N183 PolarHBondContact CE1-OD1 2.89Å; H181-N183 PolarHBondContact ND1-N 2.82Å; H181-N183 PolarHBondContact O-N 2.86Å; H181-A184 PolarHBondContact O-N 3.13Å
182	G	98.6	Very high	98.3	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.8	18.9	173.5	0	0	0	0	0	115.3	D168 D169 G177 S178 A184	D168-G182 CarbonylContact C-O 3.5Å; D168-G182 WeakPolarHBondContact CA-O 3.36Å; D168-G182 WeakPolarHBondContact OD1-CA 3.49Å; D169-G182 PolarHBondContact N-O 3.01Å; D169-G182 VanDerWaalsContact OD1-CA 3.31Å; D169-G182 WeakPolarHBondContact OD1-CA 3.39Å; G177-G182 PolarHBondContact O-N 3.1Å; S178-G182 WeakPolarHBondContact O-CA 3.27Å; S178-G182 PolarHBondContact O-N 2.86Å; S178-G182 VanDerWaalsContact O-N 3.12Å; G182-A184 PolarHBondContact O-N 3.08Å
183	N	98.6	Very high	98.3	Very high	54 Å²	54	45.3 Å²	45.3	29%	0.289	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.1	30.3	-174.2	-69.1	-43.6	0	0	0	115.6	D169 D175 G177 S178 H181 G185	D169-N183 WeakPolarHBondContact OD2-CB 3.38Å; D169-N183 PolarHBondContact OD2-ND2 2.93Å; D175-N183 PolarHBondContact OD1-ND2 2.98Å; D175-N183 PolarHBondContact OD2-ND2 3Å; G177-N183 WeakPolarHBondContact CA-OD1 3.43Å; S178-N183 PolarHBondContact N-ND2 3.32Å; H181-N183 PolarHBondContact CE1-OD1 2.89Å; H181-N183 PolarHBondContact ND1-N 2.82Å; H181-N183 PolarHBondContact O-N 2.86Å; N183-G185 PolarHBondContact O-N 3.07Å
184	A	98.6	Very high	98.4	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.008	26%	0.262	C	S	.	.			trans	-68.3	1.4	-172.9	0	0	0	0	0	115.5	A96 H164 K166 H181 G182	A96-A184 HydrophobicContact CB-CB 3.62Å; H164-A184 HydrophobicContact CB-CB 3.71Å; H164-A184 WeakPolarHBondContact CB-O 3.29Å; K166-A184 WeakPolarHBondContact CA-O 3.45Å; K166-A184 WeakPolarHBondContact CB-O 3.47Å; K166-A184 PolarHBondContact N-O 3.01Å; H181-A184 PolarHBondContact O-N 3.13Å; G182-A184 PolarHBondContact O-N 3.08Å
185	G	97.8	Very high	98.4	Very high	38 Å²	38	44.6 Å²	44.6	39%	0.392	24%	0.24	S	C	.	.			trans	74.9	-155.7	175	0	0	0	0	0	114.1	H164 N183	H164-G185 PolarHBondContact ND1-O 3.25Å; N183-G185 PolarHBondContact O-N 3.07Å
186	R	97.9	Very high	98.4	Very high	138 Å²	138	42.2 Å²	42.2	52%	0.521	23%	0.229	S	C	.	.	S	Bend	trans	-66	162.7	-172.5	-61.2	178.3	-174.1	101.4	-8.1	112.4	H164 E165	H164-R186 CarbonylContact C-O 3.47Å; H164-R186 VanDerWaalsContact CA-O 3.3Å; H164-R186 WeakPolarHBondContact CA-O 3.35Å; E165-R186 HydrophobicContact CB-CB 4.04Å; E165-R186 WeakPolarHBondContact CB-O 3.43Å; E165-R186 VanDerWaalsContact CD-NH1 3.33Å; E165-R186 PolarHBondContact N-O 3.03Å; E165-R186 IonicContact OE1-NH1 2.62Å; E165-R186 PolarHBondContact OE1-NH1 3.39Å; E165-R186 VanDerWaalsContact OE2-CB 3.23Å; E165-R186 WeakPolarHBondContact OE2-CB 3.45Å; E165-R186 VanDerWaalsContact OE2-CD 3.28Å; E165-R186 WeakPolarHBondContact OE2-CD 3.41Å; E165-R186 WeakPolarHBondContact OE2-CG 3.32Å; E165-R186 IonicContact OE2-CZ 2.95Å; E165-R186 PolarHBondContact OE2-N 2.84Å; E165-R186 IonicContact OE2-NE 3.77Å; E165-R186 IonicContact OE2-NH1 3.77Å; E165-R186 PolarHBondContact OE2-NH1 2.81Å
187	R	98.7	Very high	98.4	Very high	57 Å²	57	38 Å²	38	22%	0.215	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	103.7	178.9	-55.5	177.3	-171.3	-172.9	-1.6	109.3	C109 T112 G113 V162	C109-R187 HydrophobicContact CB-CB 3.55Å; C109-R187 HydrophobicContact CB-CG 4.43Å; C109-R187 WeakPolarHBondContact O-CD 3.05Å; C109-R187 PolarHBondContact O-NH1 3.42Å; T112-R187 PolarHBondContact OG1-NH1 3.13Å; G113-R187 VanDerWaalsContact O-CZ 3.25Å; G113-R187 PolarHBondContact O-NH1 2.83Å; G113-R187 PolarHBondContact O-NH2 3.12Å; V162-R187 HydrophobicContact CG1-CB 3.7Å; V162-R187 HydrophobicContact CG1-CG 3.68Å
188	L	98.7	Very high	98.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	-44.3	-175.3	-66.5	178.6	0	0	0	112.2	S52 L55 L59 P60 V62 I163 E165	S52-L188 PolarHBondContact N-O 3.08Å; L55-L188 HydrophobicContact CD1-CD2 3.94Å; L59-L188 HydrophobicContact CB-CD2 4.21Å; L59-L188 HydrophobicContact CD1-CD2 4.22Å; P60-L188 HydrophobicContact CG-CD1 3.97Å; P60-L188 HydrophobicContact CG-CD2 4.22Å; V62-L188 HydrophobicContact CG2-CB 4.34Å; V62-L188 HydrophobicContact CG2-CD1 4Å; I163-L188 PolarHBondContact O-N 3.34Å; E165-L188 HydrophobicContact CB-CD1 4.5Å; E165-L188 HydrophobicContact CB-CD2 4.13Å; E165-L188 HydrophobicContact CB-CG 4.14Å; E165-L188 HydrophobicContact CG-CD2 4.37Å
189	A	98.9	Very high	98.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	155	-172.8	0	0	0	0	0	110.8	V49 R50 V62 V162 I163	V49-A189 HydrophobicContact CG1-CB 3.57Å; R50-A189 CarbonylContact O-C 3.49Å; R50-A189 VanDerWaalsContact O-CA 3.23Å; R50-A189 WeakPolarHBondContact O-CA 3.21Å; R50-A189 VanDerWaalsContact O-CB 3.23Å; R50-A189 WeakPolarHBondContact O-CB 3.11Å; V62-A189 HydrophobicContact CB-CB 3.9Å; V62-A189 HydrophobicContact CG1-CB 4.2Å; V62-A189 VanDerWaalsContact O-CB 3.29Å; V62-A189 WeakPolarHBondContact O-CB 3.24Å; V162-A189 WeakPolarHBondContact CA-O 3.32Å; I163-A189 HydrophobicContact CB-CB 4.45Å; I163-A189 HydrophobicContact CD1-CB 4.39Å; I163-A189 PolarHBondContact N-O 2.69Å; I163-A189 PolarHBondContact O-N 2.8Å
190	C	98.9	Very high	98.2	Very high	7 Å²	7	40.5 Å²	40.5	5%	0.047	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	170.5	179.8	52.1	0	0	0	0	111.9	R50 L105 C109 V161 V162	R50-C190 PolarHBondContact N-O 3.5Å; R50-C190 VanDerWaalsContact N-O 3.1Å; R50-C190 PolarHBondContact O-N 3.24Å; L105-C190 HydrophobicContact CD2-CB 4.39Å; C109-C190 WeakPolarHBondContact CA-SG 3Å; C109-C190 HydrophobicContact CB-CB 3.85Å; C109-C190 WeakPolarHBondContact CB-SG 3.38Å; C109-C190 WeakPolarHBondContact SG-CB 3.42Å; C109-C190 PolarHBondContact SG-N 2.96Å; C109-C190 CovalentContact SG-SG 2.04Å; C109-C190 PolarHBondContact SG-SG 2.58Å; V161-C190 CarbonylContact O-C 3.58Å; V161-C190 WeakPolarHBondContact O-CA 3.36Å; V161-C190 WeakPolarHBondContact O-CB 3.33Å; V162-C190 HydrophobicContact CG2-CB 4.05Å
191	C	98.9	Very high	98.2	Very high	4 Å²	4	36.3 Å²	36.3	3%	0.027	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	161.3	173.1	50	0	0	0	0	110.6	C47 K48 V49 A160 V161	C47-C191 VanDerWaalsContact CA-SG 3.58Å; C47-C191 HydrophobicContact CB-CB 4.18Å; C47-C191 WeakPolarHBondContact CB-SG 3.46Å; C47-C191 WeakPolarHBondContact SG-CB 3.39Å; C47-C191 PolarHBondContact SG-O 3.5Å; C47-C191 CovalentContact SG-SG 2.01Å; C47-C191 PolarHBondContact SG-SG 3.15Å; K48-C191 WeakPolarHBondContact O-CB 3.33Å; V49-C191 WeakPolarHBondContact CG2-SG 3.31Å; A160-C191 CarbonylContact C-O 3.48Å; A160-C191 WeakPolarHBondContact CA-O 3.43Å; A160-C191 WeakPolarHBondContact CB-O 3.4Å; V161-C191 PolarHBondContact N-O 3.3Å; V161-C191 PolarHBondContact O-N 2.87Å; V161-C191 VanDerWaalsContact O-N 3.12Å
192	V	98.9	Very high	98.2	Very high	56 Å²	56	36 Å²	36	34%	0.339	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	136.4	170.5	-176	0	0	0	0	109.7	C47 G103 L105 R159 G194	C47-V192 VanDerWaalsContact SG-C 3.57Å; C47-V192 PolarHBondContact SG-O 3.06Å; G103-V192 WeakPolarHBondContact O-CG2 3.37Å; L105-V192 HydrophobicContact CD1-CG2 3.93Å; L105-V192 HydrophobicContact CG-CG2 4.04Å; R159-V192 CarbonylContact O-C 3.58Å; R159-V192 WeakPolarHBondContact O-CA 3.28Å; V192-G194 PolarHBondContact O-N 3.46Å
193	I	98.9	Very high	98.2	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	23%	0.227	C	C	.	.			trans	-78.3	105.2	174.8	-56.8	171.1	0	0	0	108	A45 C47 F68 I99 A156 L157 G158 R159 V161	A45-I193 HydrophobicContact CB-CG2 3.75Å; C47-I193 HydrophobicContact CB-CG1 4.29Å; F68-I193 HydrophobicContact CD2-CG2 3.99Å; F68-I193 HydrophobicContact CE2-CD1 4.21Å; F68-I193 HydrophobicContact CE2-CG1 3.98Å; F68-I193 HydrophobicContact CE2-CG2 3.94Å; F68-I193 HydrophobicContact CZ-CD1 3.97Å; F68-I193 HydrophobicContact CZ-CG1 4.2Å; I99-I193 HydrophobicContact CD1-CD1 4.14Å; I99-I193 HydrophobicContact CG1-CD1 4.18Å; I99-I193 HydrophobicContact CG2-CD1 4.3Å; A156-I193 HydrophobicContact CB-CD1 4.1Å; L157-I193 HydrophobicContact CD2-CG2 4.29Å; G158-I193 PolarHBondContact N-O 3.42Å; R159-I193 PolarHBondContact O-N 3.07Å; V161-I193 HydrophobicContact CG2-CD1 3.85Å; V161-I193 HydrophobicContact CG2-CG1 3.81Å
194	G	98.7	Very high	98.1	Very high	32 Å²	32	37.7 Å²	37.7	33%	0.33	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	146.4	178.6	0	0	0	0	0	111.7	A45 A46 V192	A45-G194 CarbonylContact C-O 3.58Å; A45-G194 WeakPolarHBondContact CA-O 3.05Å; A45-G194 VanDerWaalsContact CB-O 3.27Å; A45-G194 WeakPolarHBondContact CB-O 3.49Å; A46-G194 PolarHBondContact N-O 3.32Å; A46-G194 PolarHBondContact O-N 3.43Å; V192-G194 PolarHBondContact O-N 3.46Å
195	M	98.1	Very high	98	Very high	77 Å²	77	40.7 Å²	40.7	38%	0.379	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	142.1	171.5	-168.6	171.1	-72.2	0	0	110.5	P33 E35 L157	P33-M195 HydrophobicContact CB-CE 3.95Å; P33-M195 HydrophobicContact CB-SD 4.47Å; P33-M195 HydrophobicContact CG-CE 4.04Å; E35-M195 HydrophobicContact CB-SD 4.13Å; E35-M195 HydrophobicContact CG-CG 4.16Å; E35-M195 HydrophobicContact CG-SD 3.55Å; E35-M195 VanDerWaalsContact CG-SD 3.55Å; L157-M195 HydrophobicContact CD1-CE 3.65Å; L157-M195 HydrophobicContact CD2-CB 4.34Å
196	S	97.9	Very high	97.9	Very high	27 Å²	27	44.4 Å²	44.4	19%	0.189	24%	0.237	C	C	.	.			trans	-141.8	166.6	-177.5	69.9	0	0	0	0	112.1	Y44 A45	Y44-S196 WeakPolarHBondContact CB-O 3.4Å; Y44-S196 PolarHBondContact O-N 3.36Å; A45-S196 VanDerWaalsContact C-OG 3.3Å; A45-S196 WeakPolarHBondContact CA-OG 3.5Å; A45-S196 PolarHBondContact N-OG 3.14Å
197	S	97.1	Very high	97.8	Very high	46 Å²	46	43.3 Å²	43.3	32%	0.322	23%	0.233	S	C	.	.			trans	-75.6	167.5	166	67.1	0	0	0	0	111.9	Y39 S199	Y39-S197 WeakPolarHBondContact OH-CA 3.33Å; Y39-S197 WeakPolarHBondContact OH-CB 3.43Å; S197-S199 PolarHBondContact O-N 3.26Å; S197-S199 PolarHBondContact OG-OG 2.94Å
198	S	97.4	Very high	97.5	Very high	25 Å²	25	41.5 Å²	41.5	18%	0.175	23%	0.227	C	C	.	.	H	α-helix	trans	-66.4	-16.6	175.5	62.2	0	0	0	0	114.3	Y44 V200 W201 N202	Y44-S198 VanDerWaalsContact CZ-CB 3.5Å; S198-V200 PolarHBondContact O-N 2.79Å; S198-W201 PolarHBondContact O-N 2.57Å; S198-N202 WeakPolarHBondContact O-CB 3.46Å; S198-N202 VanDerWaalsContact O-CG 3.25Å; S198-N202 PolarHBondContact O-N 2.9Å
199	S	97.2	Very high	97.3	Very high	67 Å²	67	42.9 Å²	42.9	47%	0.469	24%	0.238	S	C	.	.	H	α-helix	trans	-56.2	-50.5	-170.3	61.2	0	0	0	0	113.9	S197 N202 M203	S197-S199 PolarHBondContact O-N 3.26Å; S197-S199 PolarHBondContact OG-OG 2.94Å; S199-N202 PolarHBondContact O-N 2.87Å; S199-M203 WeakPolarHBondContact O-CB 3.32Å; S199-M203 PolarHBondContact O-N 3.48Å; S199-M203 VanDerWaalsContact O-N 3.08Å
200	V	96.5	Very high	97	Very high	46 Å²	46	49.8 Å²	49.8	28%	0.279	26%	0.264	S	S	.	.	H	α-helix	trans	-70.1	-37.6	-178.1	166.3	0	0	0	0	111.1	L67 S198 Q204	L67-V200 HydrophobicContact CD1-CG1 3.65Å; L67-V200 HydrophobicContact CD2-CG1 3.46Å; L67-V200 VanDerWaalsContact CD2-CG1 3.46Å; L67-V200 HydrophobicContact CG-CG1 4.2Å; S198-V200 PolarHBondContact O-N 2.79Å; V200-Q204 HydrophobicContact CG1-CG 4.41Å; V200-Q204 WeakPolarHBondContact O-CB 3.23Å; V200-Q204 WeakPolarHBondContact O-CG 3.32Å; V200-Q204 PolarHBondContact O-N 3Å; V200-Q204 VanDerWaalsContact O-N 3.16Å
201	W	98.3	Very high	96.5	Very high	9 Å²	9	53.3 Å²	53.3	3%	0.034	28%	0.276	C	S	.	.	H	α-helix	trans	-58.7	-57.2	172.7	176.7	-85.9	0	0	0	110.7	Y44 L67 K69 Q78 L80 L143 S198 M203 Q204 H205	Y44-W201 HydrophobicContact CD1-CB 3.67Å; Y44-W201 HydrophobicContact CD1-CD2 4.47Å; Y44-W201 AromaticContact CD1-CG 3.89Å; Y44-W201 HydrophobicContact CD1-CG 3.89Å; Y44-W201 HydrophobicContact CE1-CB 3.83Å; Y44-W201 AromaticContact CE1-CD1 3.77Å; Y44-W201 HydrophobicContact CE1-CD2 4.45Å; Y44-W201 AromaticContact CE1-CG 3.72Å; Y44-W201 HydrophobicContact CE1-CG 3.72Å; L67-W201 HydrophobicContact CB-CE3 3.82Å; L67-W201 HydrophobicContact CB-CZ3 4.23Å; K69-W201 HydrophobicContact CB-CD2 3.64Å; K69-W201 HydrophobicContact CB-CE3 3.68Å; K69-W201 HydrophobicContact CB-CG 4.37Å; K69-W201 HydrophobicContact CB-CH2 3.73Å; K69-W201 HydrophobicContact CB-CZ2 3.66Å; K69-W201 HydrophobicContact CB-CZ3 3.73Å; K69-W201 HydrophobicContact CD-CD2 4.24Å; K69-W201 HydrophobicContact CD-CZ2 3.85Å; K69-W201 HydrophobicContact CG-CD2 4.49Å; K69-W201 HydrophobicContact CG-CZ2 4.39Å; Q78-W201 HydrophobicContact CB-CH2 3.6Å; Q78-W201 HydrophobicContact CB-CZ2 4.09Å; L80-W201 HydrophobicContact CB-CH2 4.17Å; L80-W201 HydrophobicContact CB-CZ3 3.88Å; L143-W201 HydrophobicContact CD1-CH2 3.91Å; L143-W201 HydrophobicContact CD1-CZ2 4.37Å; S198-W201 PolarHBondContact O-N 2.57Å; W201-M203 PolarHBondContact O-N 2.8Å; W201-Q204 PolarHBondContact O-N 3.14Å; W201-Q204 VanDerWaalsContact O-N 3.13Å; W201-H205 WeakPolarHBondContact O-CB 3.23Å; W201-H205 PolarHBondContact O-N 3.44Å
202	N	97.8	Very high	95.9	Very high	70 Å²	70	58 Å²	58	37%	0.374	30%	0.301	S	S	.	.	H	α-helix	trans	-56.5	-50.2	-175.6	-68.3	-10.2	0	0	0	111.3	S198 S199 Q204 E206	S198-N202 WeakPolarHBondContact O-CB 3.46Å; S198-N202 VanDerWaalsContact O-CG 3.25Å; S198-N202 PolarHBondContact O-N 2.9Å; S199-N202 PolarHBondContact O-N 2.87Å; N202-Q204 VanDerWaalsContact C-N 3.32Å; N202-Q204 PolarHBondContact O-N 3.27Å; N202-E206 WeakPolarHBondContact O-CB 3.43Å; N202-E206 VanDerWaalsContact O-CG 3.29Å; N202-E206 WeakPolarHBondContact O-CG 3.39Å; N202-E206 PolarHBondContact O-N 2.69Å
203	M	97.3	Very high	95.4	Very high	75 Å²	75	65.4 Å²	65.4	37%	0.369	32%	0.323	S	S	.	.	H	α-helix	trans	-57.4	-43.3	178.9	176.7	-174.7	52.3	0	0	112.5	S199 W201 R207	S199-M203 WeakPolarHBondContact O-CB 3.32Å; S199-M203 PolarHBondContact O-N 3.48Å; S199-M203 VanDerWaalsContact O-N 3.08Å; W201-M203 PolarHBondContact O-N 2.8Å; M203-R207 VanDerWaalsContact O-CG 3.31Å; M203-R207 WeakPolarHBondContact O-CG 3.36Å; M203-R207 PolarHBondContact O-N 3.48Å
204	Q	97.2	Very high	94.6	Very high	16 Å²	16	76 Å²	76	8%	0.075	36%	0.362	C	S	.	.	H	α-helix	trans	-83.5	-34.6	-172.3	-65.1	-72.2	-10.8	0	0	112.3	Q65 L67 L80 R82 V200 W201 N202 R207 F208	Q65-Q204 VanDerWaalsContact NE2-CG 3.3Å; L67-Q204 HydrophobicContact CD1-CB 3.71Å; L67-Q204 HydrophobicContact CD1-CG 3.89Å; L80-Q204 HydrophobicContact CD2-CB 3.94Å; R82-Q204 PolarHBondContact NH1-O 2.97Å; R82-Q204 VanDerWaalsContact NH1-OE1 3.12Å; V200-Q204 HydrophobicContact CG1-CG 4.41Å; V200-Q204 WeakPolarHBondContact O-CB 3.23Å; V200-Q204 WeakPolarHBondContact O-CG 3.32Å; V200-Q204 PolarHBondContact O-N 3Å; V200-Q204 VanDerWaalsContact O-N 3.16Å; W201-Q204 PolarHBondContact O-N 3.14Å; W201-Q204 VanDerWaalsContact O-N 3.13Å; N202-Q204 VanDerWaalsContact C-N 3.32Å; N202-Q204 PolarHBondContact O-N 3.27Å; Q204-R207 WeakPolarHBondContact O-CB 3.44Å; Q204-R207 PolarHBondContact O-N 3.08Å; Q204-F208 WeakPolarHBondContact O-CB 3.46Å; Q204-F208 PolarHBondContact O-N 3.11Å
205	H	96.6	Very high	93.1	Very high	64 Å²	64	82.4 Å²	82.4	30%	0.296	39%	0.389	S	S	.	.	H	α-helix	trans	-62.8	-43.5	172	-176.6	-94	0	0	0	110.9	L80 W201 R207 F208 A209	L80-H205 HydrophobicContact CD2-CB 4.32Å; W201-H205 WeakPolarHBondContact O-CB 3.23Å; W201-H205 PolarHBondContact O-N 3.44Å; H205-R207 VanDerWaalsContact C-N 3.33Å; H205-R207 PolarHBondContact O-N 2.75Å; H205-F208 WeakPolarHBondContact O-CB 3.27Å; H205-F208 PolarHBondContact O-N 2.87Å; H205-A209 WeakPolarHBondContact O-CB 3.43Å; H205-A209 PolarHBondContact O-N 3.48Å
206	E	95.7	Very high	92.8	Very high	115 Å²	115	82.7 Å²	82.7	54%	0.537	39%	0.39	S	S	.	.	H	α-helix	trans	-61.4	-39.3	172.9	-76.2	174.7	-170.7	0	0	112.9	N202 R210	N202-E206 WeakPolarHBondContact O-CB 3.43Å; N202-E206 VanDerWaalsContact O-CG 3.29Å; N202-E206 WeakPolarHBondContact O-CG 3.39Å; N202-E206 PolarHBondContact O-N 2.69Å; E206-R210 WeakPolarHBondContact O-CB 3.41Å; E206-R210 WeakPolarHBondContact O-CG 3.32Å; E206-R210 PolarHBondContact O-N 3.25Å; E206-R210 PolarHBondContact O-NE 3.26Å
207	R	94.9	Very high	92.6	Very high	115 Å²	115	85.6 Å²	85.6	43%	0.434	40%	0.4	S	S	.	.	H	α-helix	trans	-64.7	-41.7	174.7	-73.7	172.7	-175.8	-167.1	1.6	111.5	M203 Q204 H205 R210 R211	M203-R207 VanDerWaalsContact O-CG 3.31Å; M203-R207 WeakPolarHBondContact O-CG 3.36Å; M203-R207 PolarHBondContact O-N 3.48Å; Q204-R207 WeakPolarHBondContact O-CB 3.44Å; Q204-R207 PolarHBondContact O-N 3.08Å; H205-R207 VanDerWaalsContact C-N 3.33Å; H205-R207 PolarHBondContact O-N 2.75Å; R207-R210 PolarHBondContact O-N 3.31Å; R207-R211 PolarHBondContact O-N 3.36Å; R207-R211 VanDerWaalsContact O-N 3.14Å
208	F	93.9	Very high	92.3	Very high	20 Å²	20	87.8 Å²	87.8	9%	0.088	41%	0.405	C	S	.	.	H	α-helix	trans	-61.7	-51.9	175.6	173.8	-105.1	0	0	0	111.3	L80 S141 L143 Q204 H205 R210 R211 L212	L80-F208 HydrophobicContact CD1-CB 4.28Å; L80-F208 HydrophobicContact CD1-CD2 4.3Å; L80-F208 HydrophobicContact CD1-CG 4.13Å; S141-F208 VanDerWaalsContact O-CE2 3.32Å; S141-F208 WeakPolarHBondContact O-CE2 3.28Å; L143-F208 HydrophobicContact CB-CD1 4.28Å; L143-F208 HydrophobicContact CB-CE1 3.59Å; L143-F208 HydrophobicContact CB-CZ 3.78Å; L143-F208 HydrophobicContact CD2-CD1 4.48Å; L143-F208 HydrophobicContact CD2-CE1 4.05Å; L143-F208 HydrophobicContact CG-CE1 4.49Å; Q204-F208 WeakPolarHBondContact O-CB 3.46Å; Q204-F208 PolarHBondContact O-N 3.11Å; H205-F208 WeakPolarHBondContact O-CB 3.27Å; H205-F208 PolarHBondContact O-N 2.87Å; F208-R210 VanDerWaalsContact C-N 3.28Å; F208-R210 PolarHBondContact O-N 2.99Å; F208-R211 WeakPolarHBondContact O-CB 3.12Å; F208-R211 PolarHBondContact O-N 3.12Å; F208-L212 HydrophobicContact CD1-CD1 4.11Å; F208-L212 HydrophobicContact CE1-CD1 3.46Å; F208-L212 VanDerWaalsContact CE1-CD1 3.46Å; F208-L212 HydrophobicContact CE1-CG 4.24Å; F208-L212 HydrophobicContact CE2-CD1 4.36Å; F208-L212 HydrophobicContact CE2-CD2 4.49Å; F208-L212 HydrophobicContact CE2-CG 4.37Å; F208-L212 HydrophobicContact CZ-CD1 3.62Å; F208-L212 HydrophobicContact CZ-CD2 4.32Å; F208-L212 HydrophobicContact CZ-CG 4.1Å; F208-L212 PolarHBondContact O-N 2.96Å; F208-L212 VanDerWaalsContact O-N 3.08Å
209	A	92.9	Very high	92	Very high	28 Å²	28	91.5 Å²	91.5	23%	0.231	42%	0.418	C	S	.	.	H	α-helix	trans	-58.9	-37.6	178.3	0	0	0	0	0	112.7	H205 L212 R213	H205-A209 WeakPolarHBondContact O-CB 3.43Å; H205-A209 PolarHBondContact O-N 3.48Å; A209-L212 PolarHBondContact O-N 3.43Å; A209-R213 WeakPolarHBondContact O-CG 3.27Å; A209-R213 PolarHBondContact O-N 2.84Å
210	R	93	Very high	91.7	Very high	146 Å²	146	93 Å²	93	55%	0.551	42%	0.415	S	S	*	.	H	α-helix	trans	-66.5	-34.9	174.2	-78.7	-172.9	-70.5	167.1	-9.5	113.4	E206 R207 F208 R213	E206-R210 WeakPolarHBondContact O-CB 3.41Å; E206-R210 WeakPolarHBondContact O-CG 3.32Å; E206-R210 PolarHBondContact O-N 3.25Å; E206-R210 PolarHBondContact O-NE 3.26Å; R207-R210 PolarHBondContact O-N 3.31Å; F208-R210 VanDerWaalsContact C-N 3.28Å; F208-R210 PolarHBondContact O-N 2.99Å; R210-R213 PolarHBondContact O-N 3.49Å
211	R	89.1	Confident	91.4	Very high	80 Å²	80	96.1 Å²	96.1	30%	0.302	42%	0.424	S	S	.	.	H	α-helix	trans	-67	-43.8	175.7	-174.2	176.8	178.5	162.5	-0.1	110.8	R207 F208 R213 R214 N215	R207-R211 PolarHBondContact O-N 3.36Å; R207-R211 VanDerWaalsContact O-N 3.14Å; F208-R211 WeakPolarHBondContact O-CB 3.12Å; F208-R211 PolarHBondContact O-N 3.12Å; R211-R213 VanDerWaalsContact C-N 3.25Å; R211-R213 PolarHBondContact O-N 3.29Å; R211-R214 PolarHBondContact O-N 3.49Å; R211-R214 VanDerWaalsContact O-N 3.07Å; R211-N215 PolarHBondContact O-N 3.07Å
212	L	87.1	Confident	90.9	Very high	103 Å²	103	102.4 Å²	102.4	54%	0.539	45%	0.452	S	S	.	.	H	α-helix	trans	-60.9	-31.7	176.8	-69.5	179.9	0	0	0	113.6	F208 A209 R214	F208-L212 HydrophobicContact CD1-CD1 4.11Å; F208-L212 HydrophobicContact CE1-CD1 3.46Å; F208-L212 VanDerWaalsContact CE1-CD1 3.46Å; F208-L212 HydrophobicContact CE1-CG 4.24Å; F208-L212 HydrophobicContact CE2-CD1 4.36Å; F208-L212 HydrophobicContact CE2-CD2 4.49Å; F208-L212 HydrophobicContact CE2-CG 4.37Å; F208-L212 HydrophobicContact CZ-CD1 3.62Å; F208-L212 HydrophobicContact CZ-CD2 4.32Å; F208-L212 HydrophobicContact CZ-CG 4.1Å; F208-L212 PolarHBondContact O-N 2.96Å; F208-L212 VanDerWaalsContact O-N 3.08Å; A209-L212 PolarHBondContact O-N 3.43Å; L212-R214 VanDerWaalsContact C-N 3.29Å; L212-R214 PolarHBondContact O-N 3.44Å
213	R	88.1	Confident	90.3	Very high	211 Å²	211	104.8 Å²	104.8	80%	0.796	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-14	176.7	-69.5	176.2	-175	176.7	1.8	114.3	A209 R210 R211	A209-R213 WeakPolarHBondContact O-CG 3.27Å; A209-R213 PolarHBondContact O-N 2.84Å; R210-R213 PolarHBondContact O-N 3.49Å; R211-R213 VanDerWaalsContact C-N 3.25Å; R211-R213 PolarHBondContact O-N 3.29Å
214	R	82.7	Confident	89.8	Confident	223 Å²	223	107.3 Å²	107.3	84%	0.842	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-18.4	-176.6	-79.5	179.2	143	-173.9	-6.9	113.3	R211 L212	R211-R214 PolarHBondContact O-N 3.49Å; R211-R214 VanDerWaalsContact O-N 3.07Å; L212-R214 VanDerWaalsContact C-N 3.29Å; L212-R214 PolarHBondContact O-N 3.44Å
215	N	65.8	Low	89.1	Confident	167 Å²	167	115.6 Å²	115.6	89%	0.893	50%	0.501	S	S	*	.			trans	-97.9	0	176.1	-66.2	-3.9	0	0	0	109.4	R211	R211-N215 PolarHBondContact O-N 3.07Å

Retrieved 215 of 215 residues in 55.7 ms (Link to these results)

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