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Extracellular superoxide dismutase [Cu-Zn]

Destroys radicals which are normally produced within the cells and which are toxic to biological systems.

AlphaFold DB , UniProt , Accession P16026, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 184 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49.8	Very low	58.1	Low	227 Å²	227	128.1 Å²	128.1	100%	1.118	65%	0.645	S	S	*	*				0	24.6	0	-68.9	175	64.8	0	0	113.3
2	T	55.5	Low	58.1	Low	105 Å²	105	125.5 Å²	125.5	64%	0.644	63%	0.633	S	S	*	*			trans	-103.3	-8.3	-169.3	42.1	0	0	0	0	115.4	Y6	T2-Y6 VanDerWaalsContact O-CD2 3.27Å; T2-Y6 WeakPolarHBondContact O-CD2 3.33Å
3	V	56.5	Low	57.9	Low	109 Å²	109	124.2 Å²	124.2	66%	0.661	63%	0.628	S	S	*	*	H	α-helix	trans	-74.5	-27.2	-176.2	-80.2	0	0	0	0	114.3
4	Y	54.1	Low	57.6	Low	186 Å²	186	122.1 Å²	122.1	73%	0.729	62%	0.619	S	S	*	*	H	α-helix	trans	-72.3	-29.9	-179.4	-78.8	-79.9	0	0	0	113.6	Y6	Y4-Y6 PolarHBondContact O-N 2.8Å
5	S	62.8	Low	57.1	Low	75 Å²	75	121.3 Å²	121.3	52%	0.524	62%	0.616	S	S	.	*	H	α-helix	trans	-69.9	-30.6	-177.2	-54.3	0	0	0	0	113.2	I9	S5-I9 WeakPolarHBondContact O-CG1 3.42Å; S5-I9 PolarHBondContact O-N 2.76Å
6	Y	58.5	Low	56.7	Low	175 Å²	175	120.1 Å²	120.1	69%	0.686	61%	0.612	S	S	*	*	H	α-helix	trans	-72.9	-34.3	-179.7	-71.2	-78.7	0	0	0	113	T2 Y4 L10	T2-Y6 VanDerWaalsContact O-CD2 3.27Å; T2-Y6 WeakPolarHBondContact O-CD2 3.33Å; Y4-Y6 PolarHBondContact O-N 2.8Å; Y6-L10 PolarHBondContact O-N 3.31Å
7	L	60.7	Low	56.4	Low	106 Å²	106	121.5 Å²	121.5	56%	0.555	61%	0.609	S	S	*	*	H	α-helix	trans	-68	-38.3	179.5	-78.4	165	0	0	0	112.2	L10 F11	L7-L10 PolarHBondContact O-N 3.03Å; L7-F11 WeakPolarHBondContact O-CD2 3.33Å; L7-F11 PolarHBondContact O-N 2.82Å
8	V	61.6	Low	55.9	Low	90 Å²	90	119.9 Å²	119.9	55%	0.545	61%	0.61	S	S	.	*	H	α-helix	trans	-68.2	-39.1	178.9	-178.3	0	0	0	0	111.4	L10 F11 I12	V8-L10 PolarHBondContact O-N 3.27Å; V8-F11 PolarHBondContact O-N 3.38Å; V8-I12 HydrophobicContact CG1-CD1 4.25Å; V8-I12 WeakPolarHBondContact O-CG1 3.32Å; V8-I12 PolarHBondContact O-N 3.2Å
9	I	60.5	Low	55.5	Low	99 Å²	99	118.8 Å²	118.8	51%	0.508	61%	0.614	S	S	.	*	H	α-helix	trans	-66.7	-38.5	178.3	-63.7	170.1	0	0	0	110.9	S5 I12 L13	S5-I9 WeakPolarHBondContact O-CG1 3.42Å; S5-I9 PolarHBondContact O-N 2.76Å; I9-I12 PolarHBondContact O-N 3.34Å; I9-L13 HydrophobicContact CG2-CD1 4.23Å; I9-L13 WeakPolarHBondContact O-CG 3.28Å; I9-L13 PolarHBondContact O-N 3.45Å
10	L	60.6	Low	55.3	Low	99 Å²	99	116.6 Å²	116.6	52%	0.518	62%	0.615	S	S	.	*	H	α-helix	trans	-65.7	-37.9	177.9	-171.3	65.8	0	0	0	112.4	Y6 L7 V8 L13 L14	Y6-L10 PolarHBondContact O-N 3.31Å; L7-L10 PolarHBondContact O-N 3.03Å; V8-L10 PolarHBondContact O-N 3.27Å; L10-L13 PolarHBondContact O-N 3.49Å; L10-L14 HydrophobicContact CG-CD1 4.26Å; L10-L14 WeakPolarHBondContact O-CG 3.47Å; L10-L14 PolarHBondContact O-N 2.86Å
11	F	58	Low	54.8	Low	138 Å²	138	119 Å²	119	61%	0.605	62%	0.617	S	S	*	*	H	α-helix	trans	-64	-43.8	174.8	-96.3	-84.2	0	0	0	112.4	L7 V8 L13 L14 D15	L7-F11 WeakPolarHBondContact O-CD2 3.33Å; L7-F11 PolarHBondContact O-N 2.82Å; V8-F11 PolarHBondContact O-N 3.38Å; F11-L13 VanDerWaalsContact C-N 3.28Å; F11-L13 PolarHBondContact O-N 3.41Å; F11-L14 PolarHBondContact O-N 3Å; F11-D15 PolarHBondContact O-N 2.84Å
12	I	58.4	Low	54.3	Low	97 Å²	97	110.7 Å²	110.7	50%	0.497	59%	0.589	S	S	.	*	H	α-helix	trans	-63.1	-38.1	177.2	-62.1	168.9	0	0	0	110.6	V8 I9 N16	V8-I12 HydrophobicContact CG1-CD1 4.25Å; V8-I12 WeakPolarHBondContact O-CG1 3.32Å; V8-I12 PolarHBondContact O-N 3.2Å; I9-I12 PolarHBondContact O-N 3.34Å; I12-N16 WeakPolarHBondContact O-CB 3.32Å; I12-N16 PolarHBondContact O-N 2.87Å; I12-N16 VanDerWaalsContact O-N 3.12Å; I12-N16 PolarHBondContact O-ND2 3.49Å
13	L	55.5	Low	53.6	Low	108 Å²	108	114.1 Å²	114.1	57%	0.565	59%	0.592	S	S	*	*	H	α-helix	trans	-68.5	-36.7	176.4	-69.4	175.7	0	0	0	112.4	I9 L10 F11 N16 Y17	I9-L13 HydrophobicContact CG2-CD1 4.23Å; I9-L13 WeakPolarHBondContact O-CG 3.28Å; I9-L13 PolarHBondContact O-N 3.45Å; L10-L13 PolarHBondContact O-N 3.49Å; F11-L13 VanDerWaalsContact C-N 3.28Å; F11-L13 PolarHBondContact O-N 3.41Å; L13-N16 PolarHBondContact O-N 3.44Å; L13-Y17 VanDerWaalsContact O-CB 3.28Å; L13-Y17 WeakPolarHBondContact O-CB 3.48Å; L13-Y17 PolarHBondContact O-N 2.92Å
14	L	53.6	Low	52.7	Low	96 Å²	96	112.7 Å²	112.7	50%	0.503	60%	0.599	S	S	.	*	H	α-helix	trans	-68.6	-38.9	177.1	-73	168.4	0	0	0	112.5	L10 F11 Y17 C18	L10-L14 HydrophobicContact CG-CD1 4.26Å; L10-L14 WeakPolarHBondContact O-CG 3.47Å; L10-L14 PolarHBondContact O-N 2.86Å; F11-L14 PolarHBondContact O-N 3Å; L14-Y17 PolarHBondContact O-N 3.26Å; L14-C18 WeakPolarHBondContact O-CB 3.39Å; L14-C18 PolarHBondContact O-N 2.91Å
15	D	50.3	Low	52.1	Low	109 Å²	109	110.2 Å²	110.2	58%	0.583	59%	0.589	S	S	*	*	H	α-helix	trans	-67.1	-37.3	174.9	-74.5	-22.8	0	0	0	112	F11 S19	F11-D15 PolarHBondContact O-N 2.84Å; D15-S19 PolarHBondContact O-N 2.79Å; D15-S19 PolarHBondContact O-OG 3.33Å
16	N	50.8	Low	51.1	Low	102 Å²	102	110.6 Å²	110.6	55%	0.545	59%	0.592	S	S	.	*	H	α-helix	trans	-69.8	-36.1	173.2	-80.1	-79.1	0	0	0	112.2	I12 L13 S19 A20	I12-N16 WeakPolarHBondContact O-CB 3.32Å; I12-N16 PolarHBondContact O-N 2.87Å; I12-N16 VanDerWaalsContact O-N 3.12Å; I12-N16 PolarHBondContact O-ND2 3.49Å; L13-N16 PolarHBondContact O-N 3.44Å; N16-S19 PolarHBondContact O-N 2.99Å; N16-A20 WeakPolarHBondContact O-CB 3.45Å; N16-A20 PolarHBondContact O-N 2.94Å
17	Y	51.8	Low	50.5	Low	144 Å²	144	111.6 Å²	111.6	57%	0.565	60%	0.596	S	S	*	*	H	α-helix	trans	-70.9	-38.4	177.6	-157	-96.1	0	0	0	111.7	L13 L14 S19 A20 Y21	L13-Y17 VanDerWaalsContact O-CB 3.28Å; L13-Y17 WeakPolarHBondContact O-CB 3.48Å; L13-Y17 PolarHBondContact O-N 2.92Å; L14-Y17 PolarHBondContact O-N 3.26Å; Y17-S19 VanDerWaalsContact C-N 3.34Å; Y17-A20 PolarHBondContact O-N 3.49Å; Y17-Y21 AromaticContact CD1-CD2 3.92Å; Y17-Y21 HydrophobicContact CD1-CD2 3.92Å; Y17-Y21 HydrophobicContact CD1-CE2 4.36Å; Y17-Y21 HydrophobicContact CD2-CD2 4.27Å; Y17-Y21 HydrophobicContact CD2-CE2 4.07Å; Y17-Y21 AromaticContact CE1-CD2 3.65Å; Y17-Y21 HydrophobicContact CE1-CD2 3.65Å; Y17-Y21 AromaticContact CE1-CE2 3.83Å; Y17-Y21 HydrophobicContact CE1-CE2 3.83Å; Y17-Y21 HydrophobicContact CE1-CG 4.41Å; Y17-Y21 HydrophobicContact CE2-CD2 4.04Å; Y17-Y21 AromaticContact CE2-CE2 3.5Å; Y17-Y21 HydrophobicContact CE2-CE2 3.5Å; Y17-Y21 HydrophobicContact CG-CD2 4.22Å; Y17-Y21 HydrophobicContact CG-CE2 4.47Å; Y17-Y21 AromaticContact CZ-CD2 3.72Å; Y17-Y21 AromaticContact CZ-CE2 3.36Å; Y17-Y21 PolarHBondContact O-N 3.41Å; Y17-Y21 VanDerWaalsContact O-N 3.12Å
18	C	46.6	Very low	49.7	Very low	93 Å²	93	116.2 Å²	116.2	63%	0.628	61%	0.607	S	S	*	*	H	α-helix	trans	-67	-35.6	174.5	-156.1	0	0	0	0	111.7	L14 G22	L14-C18 WeakPolarHBondContact O-CB 3.39Å; L14-C18 PolarHBondContact O-N 2.91Å; C18-G22 PolarHBondContact O-N 3.35Å
19	S	49.8	Very low	49.1	Very low	99 Å²	99	118.3 Å²	118.3	69%	0.692	61%	0.611	S	S	*	*	H	α-helix	trans	-69.2	-32.4	172.2	-73	0	0	0	0	113.4	D15 N16 Y17	D15-S19 PolarHBondContact O-N 2.79Å; D15-S19 PolarHBondContact O-OG 3.33Å; N16-S19 PolarHBondContact O-N 2.99Å; Y17-S19 VanDerWaalsContact C-N 3.34Å
20	A	50.7	Low	48.7	Very low	75 Å²	75	119 Å²	119	62%	0.62	61%	0.607	S	S	*	*	H	α-helix	trans	-76.4	-32.2	-179.8	0	0	0	0	0	113.6	N16 Y17	N16-A20 WeakPolarHBondContact O-CB 3.45Å; N16-A20 PolarHBondContact O-N 2.94Å; Y17-A20 PolarHBondContact O-N 3.49Å
21	Y	44.4	Very low	48.9	Very low	167 Å²	167	124.2 Å²	124.2	66%	0.655	62%	0.62	S	S	*	*	H	α-helix	trans	-107	-9.9	-175	-75.6	-87.3	0	0	0	115.1	Y17	Y17-Y21 AromaticContact CD1-CD2 3.92Å; Y17-Y21 HydrophobicContact CD1-CD2 3.92Å; Y17-Y21 HydrophobicContact CD1-CE2 4.36Å; Y17-Y21 HydrophobicContact CD2-CD2 4.27Å; Y17-Y21 HydrophobicContact CD2-CE2 4.07Å; Y17-Y21 AromaticContact CE1-CD2 3.65Å; Y17-Y21 HydrophobicContact CE1-CD2 3.65Å; Y17-Y21 AromaticContact CE1-CE2 3.83Å; Y17-Y21 HydrophobicContact CE1-CE2 3.83Å; Y17-Y21 HydrophobicContact CE1-CG 4.41Å; Y17-Y21 HydrophobicContact CE2-CD2 4.04Å; Y17-Y21 AromaticContact CE2-CE2 3.5Å; Y17-Y21 HydrophobicContact CE2-CE2 3.5Å; Y17-Y21 HydrophobicContact CG-CD2 4.22Å; Y17-Y21 HydrophobicContact CG-CE2 4.47Å; Y17-Y21 AromaticContact CZ-CD2 3.72Å; Y17-Y21 AromaticContact CZ-CE2 3.36Å; Y17-Y21 PolarHBondContact O-N 3.41Å; Y17-Y21 VanDerWaalsContact O-N 3.12Å
22	G	40.5	Very low	49.8	Very low	53 Å²	53	123.4 Å²	123.4	55%	0.546	62%	0.618	S	S	.	*	S	Bend	trans	-87.7	-11.7	-173.5	0	0	0	0	0	117.1	C18	C18-G22 PolarHBondContact O-N 3.35Å
23	Y	39.6	Very low	51.1	Low	177 Å²	177	119.5 Å²	119.5	69%	0.694	60%	0.597	S	S	*	*			trans	-125.7	48.9	-177.4	-108.4	-104.6	0	0	0	112.2	Y25	Y23-Y25 AromaticContact CD1-CD2 3.22Å; Y23-Y25 HydrophobicContact CD1-CD2 3.22Å; Y23-Y25 AromaticContact CD1-CE2 3.77Å; Y23-Y25 HydrophobicContact CD1-CE2 3.77Å; Y23-Y25 HydrophobicContact CD1-CG 4.05Å; Y23-Y25 AromaticContact CE1-CD2 3.12Å; Y23-Y25 HydrophobicContact CE1-CD2 3.12Å; Y23-Y25 AromaticContact CE1-CE2 3.15Å; Y23-Y25 HydrophobicContact CE1-CE2 3.15Å; Y23-Y25 HydrophobicContact CE1-CG 4.06Å; Y23-Y25 HydrophobicContact CE2-CD2 4.48Å; Y23-Y25 HydrophobicContact CE2-CE2 4.2Å; Y23-Y25 AromaticContact CG-CD2 3.98Å; Y23-Y25 HydrophobicContact CG-CD2 3.98Å; Y23-Y25 HydrophobicContact CG-CE2 4.5Å; Y23-Y25 AromaticContact CZ-CD2 3.82Å; Y23-Y25 AromaticContact CZ-CE2 3.41Å; Y23-Y25 VanDerWaalsContact CZ-CE2 3.41Å; Y23-Y25 PolarHBondContact O-N 3.09Å
24	G	38.2	Very low	52.8	Low	78 Å²	78	118 Å²	118	80%	0.804	59%	0.59	S	S	*	*			trans	-67.3	56.5	152.2	0	0	0	0	0	110.7	S26	G24-S26 PolarHBondContact O-N 2.82Å
25	Y	40.3	Very low	54.8	Low	134 Å²	134	115.4 Å²	115.4	53%	0.525	58%	0.578	S	S	.	*			trans	-64.6	106.7	167.8	-110.7	-100.5	0	0	0	106.7	Y23 Y27	Y23-Y25 AromaticContact CD1-CD2 3.22Å; Y23-Y25 HydrophobicContact CD1-CD2 3.22Å; Y23-Y25 AromaticContact CD1-CE2 3.77Å; Y23-Y25 HydrophobicContact CD1-CE2 3.77Å; Y23-Y25 HydrophobicContact CD1-CG 4.05Å; Y23-Y25 AromaticContact CE1-CD2 3.12Å; Y23-Y25 HydrophobicContact CE1-CD2 3.12Å; Y23-Y25 AromaticContact CE1-CE2 3.15Å; Y23-Y25 HydrophobicContact CE1-CE2 3.15Å; Y23-Y25 HydrophobicContact CE1-CG 4.06Å; Y23-Y25 HydrophobicContact CE2-CD2 4.48Å; Y23-Y25 HydrophobicContact CE2-CE2 4.2Å; Y23-Y25 AromaticContact CG-CD2 3.98Å; Y23-Y25 HydrophobicContact CG-CD2 3.98Å; Y23-Y25 HydrophobicContact CG-CE2 4.5Å; Y23-Y25 AromaticContact CZ-CD2 3.82Å; Y23-Y25 AromaticContact CZ-CE2 3.41Å; Y23-Y25 VanDerWaalsContact CZ-CE2 3.41Å; Y23-Y25 PolarHBondContact O-N 3.09Å; Y25-Y27 PolarHBondContact O-N 2.88Å
26	S	42.2	Very low	57.1	Low	84 Å²	84	110.4 Å²	110.4	59%	0.587	55%	0.552	S	S	*	*			trans	-31.1	99.1	172.2	-177.5	0	0	0	0	112.1	G24 Y28	G24-S26 PolarHBondContact O-N 2.82Å; S26-Y28 PolarHBondContact O-N 2.78Å
27	Y	46.9	Very low	59.3	Low	195 Å²	195	107.2 Å²	107.2	77%	0.765	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-9.3	-178.9	-156.4	-100.1	0	0	0	111.8	Y25	Y25-Y27 PolarHBondContact O-N 2.88Å
28	Y	43.7	Very low	61.6	Low	203 Å²	203	100.3 Å²	100.3	80%	0.796	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	0.4	-164.5	-134.8	-97.2	0	0	0	115.9	S26	S26-Y28 PolarHBondContact O-N 2.78Å
29	H	47.5	Very low	64.1	Low	135 Å²	135	98.6 Å²	98.6	63%	0.625	50%	0.497	S	S	*	.			trans	-144.1	15	-175.2	-96.8	-65	0	0	0	119	R31	H29-R31 PolarHBondContact O-N 3.29Å
30	R	53.9	Low	66.4	Low	114 Å²	114	94.2 Å²	94.2	43%	0.43	47%	0.465	S	S	.	.			trans	-74.2	74.1	162.2	-64.9	-158.6	-149.2	-153.2	10.3	110.2	H32 D34	R30-H32 PolarHBondContact O-N 2.89Å; R30-D34 IonicContact NH1-OD2 3.32Å
31	R	63.6	Low	68.6	Low	207 Å²	207	96.3 Å²	96.3	78%	0.781	47%	0.471	S	S	*	.			trans	-71.3	-7.6	161.8	-71.6	-166	-172.4	-172.4	4.5	111.8	H29 Q53	H29-R31 PolarHBondContact O-N 3.29Å; R31-Q53 PolarHBondContact O-NE2 3.09Å; R31-Q53 PolarHBondContact O-OE1 3.08Å
32	H	77.3	Confident	70.9	Confident	121 Å²	121	96.4 Å²	96.4	56%	0.56	47%	0.474	S	S	*	.	S	Bend	trans	-124.5	121.5	179.4	-147.5	45.1	0	0	0	109.6	R30	R30-H32 PolarHBondContact O-N 2.89Å
33	F	84.9	Confident	73.5	Confident	16 Å²	16	101.6 Å²	101.6	7%	0.07	48%	0.484	C	S	.	.	P	Polyproline II helix	trans	-80	131	164.7	-58.2	-53.7	0	0	0	107.4	Q53 M58 I133 D140 G141	F33-Q53 HydrophobicContact CB-CB 4.33Å; F33-Q53 HydrophobicContact CD2-CB 4.24Å; F33-Q53 VanDerWaalsContact CD2-CD 3.42Å; F33-Q53 HydrophobicContact CD2-CG 4.2Å; F33-M58 HydrophobicContact CD2-CE 4.19Å; F33-I133 HydrophobicContact CD2-CD1 3.58Å; F33-I133 HydrophobicContact CE2-CD1 3.48Å; F33-I133 VanDerWaalsContact CE2-CD1 3.48Å; F33-I133 HydrophobicContact CE2-CG1 4.28Å; F33-D140 VanDerWaalsContact CE1-C 3.45Å; F33-G141 VanDerWaalsContact CZ-N 3.33Å
34	D	91.8	Very high	76.2	Confident	76 Å²	76	96.9 Å²	96.9	41%	0.406	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-61.6	147.5	171.5	-57.1	-54.1	0	0	0	109.8	R30 A36 F181	R30-D34 IonicContact NH1-OD2 3.32Å; D34-A36 PolarHBondContact O-N 3.47Å; D34-F181 HydrophobicContact CB-CD1 3.68Å; D34-F181 HydrophobicContact CB-CE1 3.73Å
35	P	95.6	Very high	79.1	Confident	41 Å²	41	95.6 Å²	95.6	27%	0.266	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-54.7	140.6	175.7	-25.3	34.3	0	0	0	111.8	F51 R182	P35-F51 WeakPolarHBondContact CA-O 3.41Å; P35-R182 HydrophobicContact CB-CB 4.42Å; P35-R182 PolarHBondContact O-N 3.03Å
36	A	98.2	Very high	81.9	Confident	4 Å²	4	93 Å²	93	3%	0.033	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	164	-178.8	0	0	0	0	0	112.3	D34 W50 F51 I143 I179 G180	D34-A36 PolarHBondContact O-N 3.47Å; A36-W50 WeakPolarHBondContact O-CA 3.27Å; A36-F51 HydrophobicContact CB-CB 4.03Å; A36-F51 HydrophobicContact CB-CD2 4.42Å; A36-F51 PolarHBondContact N-O 2.99Å; A36-F51 PolarHBondContact O-N 3.5Å; A36-I143 HydrophobicContact CB-CD1 3.43Å; A36-I143 VanDerWaalsContact CB-CD1 3.43Å; A36-I179 HydrophobicContact CB-CG2 3.69Å; A36-G180 CarbonylContact C-O 3.53Å; A36-G180 WeakPolarHBondContact CA-O 3.44Å; A36-G180 VanDerWaalsContact CB-O 3.3Å; A36-G180 WeakPolarHBondContact CB-O 3.28Å
37	I	98.7	Very high	84.5	Confident	35 Å²	35	90 Å²	90	18%	0.179	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	138.4	179.1	-176.5	166.3	0	0	0	110.4	S39 A48 V49 I179 G180 R182	I37-S39 WeakPolarHBondContact CD1-OG 3.35Å; I37-A48 HydrophobicContact CD1-CB 3.98Å; I37-A48 HydrophobicContact CG1-CB 4.29Å; I37-V49 CarbonylContact C-O 3.57Å; I37-V49 WeakPolarHBondContact CA-O 3.17Å; I37-I179 WeakPolarHBondContact O-CA 3.48Å; I37-G180 PolarHBondContact N-O 3.12Å; I37-G180 PolarHBondContact O-N 2.92Å; I37-R182 HydrophobicContact CB-CB 4.08Å; I37-R182 HydrophobicContact CB-CG 4.11Å; I37-R182 HydrophobicContact CG2-CB 3.94Å; I37-R182 HydrophobicContact CG2-CG 4.14Å
38	A	98.8	Very high	87	Confident	0 Å²	0	82 Å²	82	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	109.9	161.9	0	0	0	0	0	108.5	F40 A48 V49 F51 L147 A177 I179	A38-F40 HydrophobicContact CB-CE2 4.31Å; A38-A48 WeakPolarHBondContact O-CA 3.32Å; A38-V49 PolarHBondContact N-O 3.26Å; A38-V49 PolarHBondContact O-N 2.87Å; A38-F51 HydrophobicContact CB-CE2 3.88Å; A38-F51 HydrophobicContact CB-CZ 4.5Å; A38-L147 HydrophobicContact CB-CB 3.97Å; A38-L147 HydrophobicContact CB-CD2 4.18Å; A38-A177 HydrophobicContact CB-CB 3.95Å; A38-I179 HydrophobicContact CB-CG1 4.08Å
39	S	98.6	Very high	89.6	Confident	56 Å²	56	72.3 Å²	72.3	39%	0.392	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	116.1	-177.4	-61.2	0	0	0	0	110.9	I37 A177	I37-S39 WeakPolarHBondContact CD1-OG 3.35Å; S39-A177 VanDerWaalsContact O-CB 3.29Å; S39-A177 WeakPolarHBondContact O-CB 3.38Å
40	F	98.6	Very high	92.1	Very high	8 Å²	8	71.2 Å²	71.2	4%	0.035	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	108.7	172.7	-63.1	-100.3	0	0	0	108	A38 Y45 I46 G47 V49 V64 L147 I149 A175 A177	A38-F40 HydrophobicContact CB-CE2 4.31Å; F40-Y45 CarbonylContact C-O 3.58Å; F40-I46 CarbonylContact O-C 3.52Å; F40-I46 VanDerWaalsContact O-CA 3.31Å; F40-I46 WeakPolarHBondContact O-CA 3.28Å; F40-G47 PolarHBondContact N-O 3.07Å; F40-G47 PolarHBondContact O-N 3.49Å; F40-V49 HydrophobicContact CE2-CG2 4.21Å; F40-V64 HydrophobicContact CB-CG1 4.36Å; F40-V64 HydrophobicContact CD1-CG1 4.3Å; F40-V64 HydrophobicContact CD2-CG1 4.4Å; F40-V64 HydrophobicContact CD2-CG2 3.53Å; F40-V64 HydrophobicContact CE2-CG2 3.64Å; F40-V64 HydrophobicContact CG-CG1 4.11Å; F40-V64 HydrophobicContact CG-CG2 4.09Å; F40-V64 HydrophobicContact CZ-CG2 4.27Å; F40-L147 HydrophobicContact CE2-CD2 3.98Å; F40-L147 HydrophobicContact CZ-CD2 4Å; F40-L147 HydrophobicContact CZ-CG 4.28Å; F40-I149 HydrophobicContact CE1-CD1 4.33Å; F40-I149 HydrophobicContact CZ-CD1 4.17Å; F40-I149 HydrophobicContact CZ-CG1 4.46Å; F40-A175 HydrophobicContact CD1-CB 3.9Å; F40-A175 HydrophobicContact CE1-CB 3.73Å; F40-A177 HydrophobicContact CD1-CB 4.09Å; F40-A177 HydrophobicContact CD2-CB 3.95Å; F40-A177 HydrophobicContact CE1-CB 4.03Å; F40-A177 HydrophobicContact CE2-CB 3.87Å; F40-A177 HydrophobicContact CG-CB 4.06Å; F40-A177 HydrophobicContact CZ-CB 3.91Å
41	T	96.8	Very high	94.2	Very high	119 Å²	119	65.9 Å²	65.9	73%	0.73	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.2	1.9	-171.4	56.5	0	0	0	0	113.4	I46	T41-I46 VanDerWaalsContact C-CD1 3.46Å
42	K	93.5	Very high	95.8	Very high	169 Å²	169	57.8 Å²	57.8	74%	0.735	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.5	119.2	-176.7	-173.2	-176.8	175.9	179.3	0	110.4	Y45	K42-Y45 CarbonylContact C-O 3.56Å; K42-Y45 CarbonylContact O-C 3.57Å; K42-Y45 PolarHBondContact O-N 2.88Å
43	E	95.2	Very high	96.6	Very high	162 Å²	162	53 Å²	53	76%	0.757	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	144.6	173.8	-72.1	-170	-175.3	0	0	112.5	Y45 I46	E43-Y45 VanDerWaalsContact C-N 3.31Å; E43-I46 HydrophobicContact CG-CD1 4.23Å; E43-I46 HydrophobicContact CG-CG1 4.36Å
44	P	96.9	Very high	97	Very high	78 Å²	78	56.4 Å²	56.4	51%	0.506	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	cis	-79.6	-3.6	2.7	33.4	-36.1	0	0	0	114.2	G66	P44-G66 WeakPolarHBondContact O-CA 3.34Å
45	Y	98.3	Very high	97.1	Very high	50 Å²	50	55.2 Å²	55.2	20%	0.196	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	105.3	-170.5	-47.4	-63.5	0	0	0	112.5	F40 K42 E43 A65 G66 L67 L174 A175	F40-Y45 CarbonylContact C-O 3.58Å; K42-Y45 CarbonylContact C-O 3.56Å; K42-Y45 CarbonylContact O-C 3.57Å; K42-Y45 PolarHBondContact O-N 2.88Å; E43-Y45 VanDerWaalsContact C-N 3.31Å; Y45-A65 WeakPolarHBondContact CA-O 3.38Å; Y45-G66 VanDerWaalsContact CE1-O 3.32Å; Y45-G66 WeakPolarHBondContact CE1-O 3.34Å; Y45-L67 HydrophobicContact CD1-CD2 3.76Å; Y45-L67 HydrophobicContact CD1-CG 4.34Å; Y45-L67 HydrophobicContact CE1-CD2 3.84Å; Y45-L174 WeakPolarHBondContact CE2-O 2.95Å; Y45-A175 HydrophobicContact CD1-CB 4.22Å; Y45-A175 HydrophobicContact CD2-CB 3.68Å; Y45-A175 HydrophobicContact CE2-CB 4.2Å; Y45-A175 HydrophobicContact CG-CB 3.67Å
46	I	98.4	Very high	96.9	Very high	79 Å²	79	57.3 Å²	57.3	41%	0.405	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	135	-177.6	-55.6	-63.8	0	0	0	110.5	F40 T41 E43 A65	F40-I46 CarbonylContact O-C 3.52Å; F40-I46 VanDerWaalsContact O-CA 3.31Å; F40-I46 WeakPolarHBondContact O-CA 3.28Å; T41-I46 VanDerWaalsContact C-CD1 3.46Å; E43-I46 HydrophobicContact CG-CD1 4.23Å; E43-I46 HydrophobicContact CG-CG1 4.36Å; I46-A65 PolarHBondContact N-O 3.05Å; I46-A65 PolarHBondContact O-N 2.75Å
47	G	98.6	Very high	96.8	Very high	23 Å²	23	62.9 Å²	62.9	24%	0.237	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	153.7	-169.4	175	0	0	0	0	0	113.4	F40 S63	F40-G47 PolarHBondContact N-O 3.07Å; F40-G47 PolarHBondContact O-N 3.49Å; G47-S63 CarbonylContact C-O 3.49Å; G47-S63 VanDerWaalsContact CA-O 3.25Å; G47-S63 WeakPolarHBondContact CA-O 3.38Å
48	A	98.6	Very high	96.7	Very high	26 Å²	26	61.5 Å²	61.5	22%	0.215	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	145.3	-179.8	0	0	0	0	0	110.7	I37 A38 G62 S63	I37-A48 HydrophobicContact CD1-CB 3.98Å; I37-A48 HydrophobicContact CG1-CB 4.29Å; A38-A48 WeakPolarHBondContact O-CA 3.32Å; A48-G62 CarbonylContact O-C 3.59Å; A48-G62 WeakPolarHBondContact O-CA 3.23Å; A48-S63 PolarHBondContact N-O 2.9Å; A48-S63 PolarHBondContact O-N 2.83Å
49	V	98.8	Very high	96.7	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	125	171.4	-177.7	0	0	0	0	108.2	I37 A38 F40 F51 V60 N61 V64 F127 L147	I37-V49 CarbonylContact C-O 3.57Å; I37-V49 WeakPolarHBondContact CA-O 3.17Å; A38-V49 PolarHBondContact N-O 3.26Å; A38-V49 PolarHBondContact O-N 2.87Å; F40-V49 HydrophobicContact CE2-CG2 4.21Å; V49-F51 HydrophobicContact CB-CE2 4.28Å; V49-F51 HydrophobicContact CG1-CE2 3.97Å; V49-F51 HydrophobicContact CG1-CZ 4.02Å; V49-F51 WeakPolarHBondContact O-CE2 3.49Å; V49-V60 HydrophobicContact CG1-CG1 3.42Å; V49-V60 VanDerWaalsContact CG1-CG1 3.42Å; V49-N61 CarbonylContact C-O 3.56Å; V49-V64 HydrophobicContact CG2-CG2 3.95Å; V49-F127 HydrophobicContact CG1-CB 4.28Å; V49-F127 HydrophobicContact CG1-CD1 3.94Å; V49-F127 HydrophobicContact CG1-CE1 4.42Å; V49-F127 HydrophobicContact CG1-CG 4.03Å; V49-F127 HydrophobicContact CG2-CD1 4.19Å; V49-F127 HydrophobicContact CG2-CD2 3.61Å; V49-F127 HydrophobicContact CG2-CE1 4.2Å; V49-F127 HydrophobicContact CG2-CE2 3.65Å; V49-F127 HydrophobicContact CG2-CG 3.91Å; V49-F127 HydrophobicContact CG2-CZ 3.96Å; V49-L147 HydrophobicContact CB-CD2 3.79Å; V49-L147 HydrophobicContact CG1-CD2 3.97Å; V49-L147 HydrophobicContact CG2-CD2 3.73Å
50	W	98.5	Very high	96.7	Very high	111 Å²	111	61.5 Å²	61.5	42%	0.42	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	147.7	179.8	-55	-26.2	0	0	0	110.6	A36 V60 N61	A36-W50 WeakPolarHBondContact O-CA 3.27Å; W50-V60 VanDerWaalsContact O-CA 3.31Å; W50-V60 WeakPolarHBondContact O-CA 3.41Å; W50-N61 VanDerWaalsContact CE3-ND2 3.35Å; W50-N61 PolarHBondContact N-O 3.02Å; W50-N61 PolarHBondContact O-N 3.31Å
51	F	98.3	Very high	96.7	Very high	2 Å²	2	62.5 Å²	62.5	1%	0.009	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	113.8	-179.7	-58.7	-101	0	0	0	107.4	P35 A36 A38 V49 M58 Y59 V60 F142 L147 I179	P35-F51 WeakPolarHBondContact CA-O 3.41Å; A36-F51 HydrophobicContact CB-CB 4.03Å; A36-F51 HydrophobicContact CB-CD2 4.42Å; A36-F51 PolarHBondContact N-O 2.99Å; A36-F51 PolarHBondContact O-N 3.5Å; A38-F51 HydrophobicContact CB-CE2 3.88Å; A38-F51 HydrophobicContact CB-CZ 4.5Å; V49-F51 HydrophobicContact CB-CE2 4.28Å; V49-F51 HydrophobicContact CG1-CE2 3.97Å; V49-F51 HydrophobicContact CG1-CZ 4.02Å; V49-F51 WeakPolarHBondContact O-CE2 3.49Å; F51-M58 HydrophobicContact CB-CE 4.42Å; F51-M58 HydrophobicContact CB-CG 4.03Å; F51-M58 HydrophobicContact CB-SD 3.66Å; F51-M58 HydrophobicContact CD1-CG 4.15Å; F51-Y59 WeakPolarHBondContact CA-O 3.26Å; F51-V60 HydrophobicContact CD1-CG1 4.29Å; F51-V60 HydrophobicContact CD1-CG2 3.83Å; F51-V60 HydrophobicContact CE1-CG1 4.02Å; F51-V60 HydrophobicContact CE1-CG2 4.09Å; F51-V60 HydrophobicContact CZ-CG1 4.44Å; F51-F142 AromaticContact CD1-CD2 3.92Å; F51-F142 HydrophobicContact CD1-CD2 3.92Å; F51-F142 HydrophobicContact CE1-CD2 4.2Å; F51-L147 HydrophobicContact CZ-CB 4.4Å; F51-L147 HydrophobicContact CZ-CD1 4.39Å; F51-L147 HydrophobicContact CZ-CD2 4.13Å; F51-I179 HydrophobicContact CD2-CG2 4.08Å; F51-I179 HydrophobicContact CE1-CD1 4.13Å; F51-I179 HydrophobicContact CE2-CD1 4.19Å; F51-I179 HydrophobicContact CE2-CG1 3.99Å; F51-I179 HydrophobicContact CE2-CG2 4.19Å; F51-I179 HydrophobicContact CZ-CD1 3.76Å; F51-I179 HydrophobicContact CZ-CG1 4.03Å
52	T	96.7	Very high	96.8	Very high	37 Å²	37	57.9 Å²	57.9	23%	0.227	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	123.4	-179.3	-53.3	0	0	0	0	110	H54 M58 Y59	T52-H54 PolarHBondContact O-N 3.05Å; T52-M58 PolarHBondContact N-SD 3.49Å; T52-Y59 PolarHBondContact N-O 3.19Å; T52-Y59 WeakPolarHBondContact O-CB 3.31Å; T52-Y59 PolarHBondContact O-N 2.93Å
53	Q	94.7	Very high	97	Very high	20 Å²	20	52.2 Å²	52.2	9%	0.093	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	125.5	-179.7	178.8	178.1	17.4	0	0	111.8	R31 F33 G55 Y57 M58 I133	R31-Q53 PolarHBondContact O-NE2 3.09Å; R31-Q53 PolarHBondContact O-OE1 3.08Å; F33-Q53 HydrophobicContact CB-CB 4.33Å; F33-Q53 HydrophobicContact CD2-CB 4.24Å; F33-Q53 VanDerWaalsContact CD2-CD 3.42Å; F33-Q53 HydrophobicContact CD2-CG 4.2Å; Q53-G55 WeakPolarHBondContact CG-O 3.43Å; Q53-G55 PolarHBondContact NE2-O 2.72Å; Q53-Y57 CarbonylContact C-O 3.59Å; Q53-M58 HydrophobicContact CB-CE 4.46Å; Q53-M58 HydrophobicContact CB-SD 4.47Å; Q53-I133 HydrophobicContact CB-CD1 4.21Å; Q53-I133 HydrophobicContact CG-CD1 3.65Å
54	H	94.4	Very high	97.2	Very high	88 Å²	88	44.5 Å²	44.5	41%	0.407	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	91.2	168.3	-68.2	-169.2	0	0	0	109.2	T52 D56 Y57 Y130	T52-H54 PolarHBondContact O-N 3.05Å; H54-D56 PolarHBondContact O-N 3.18Å; H54-Y57 CarbonylContact C-O 3.46Å; H54-Y57 PolarHBondContact N-O 3.28Å; H54-Y57 PolarHBondContact O-N 3.39Å; H54-Y130 HydrophobicContact CB-CE1 4.21Å; H54-Y130 AromaticContact ND1-CE1 3.54Å; H54-Y130 AromaticContact ND1-CZ 3.92Å; H54-Y130 PolarHBondContact ND1-OH 2.82Å
55	G	92.1	Very high	97.3	Very high	52 Å²	52	42.4 Å²	42.4	54%	0.536	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	-123.6	-177.5	0	0	0	0	0	112.3	Q53 Y57	Q53-G55 WeakPolarHBondContact CG-O 3.43Å; Q53-G55 PolarHBondContact NE2-O 2.72Å; G55-Y57 PolarHBondContact O-N 3.05Å
56	D	92.8	Very high	97.3	Very high	84 Å²	84	41.9 Å²	41.9	45%	0.449	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	4.9	178	-79.9	-8.4	0	0	0	114	H54 I133 K134	H54-D56 PolarHBondContact O-N 3.18Å; D56-I133 WeakPolarHBondContact O-CG1 3.42Å; D56-I133 PolarHBondContact O-N 3.13Å; D56-K134 HydrophobicContact CB-CB 4.3Å; D56-K134 PolarHBondContact O-N 3.07Å
57	Y	95.5	Very high	97.3	Very high	121 Å²	121	38.3 Å²	38.3	48%	0.475	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	148.8	-178.6	-59	-87.4	0	0	0	111.8	Q53 H54 G55 V131	Q53-Y57 CarbonylContact C-O 3.59Å; H54-Y57 CarbonylContact C-O 3.46Å; H54-Y57 PolarHBondContact N-O 3.28Å; H54-Y57 PolarHBondContact O-N 3.39Å; G55-Y57 PolarHBondContact O-N 3.05Å; Y57-V131 CarbonylContact C-O 3.54Å; Y57-V131 WeakPolarHBondContact CA-O 3.47Å
58	M	96.9	Very high	97.3	Very high	7 Å²	7	39.6 Å²	39.6	3%	0.034	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	119.9	165.1	-175	68.2	73.8	0	0	108.2	F33 F51 T52 Q53 V60 Y130 V131 I133 F142	F33-M58 HydrophobicContact CD2-CE 4.19Å; F51-M58 HydrophobicContact CB-CE 4.42Å; F51-M58 HydrophobicContact CB-CG 4.03Å; F51-M58 HydrophobicContact CB-SD 3.66Å; F51-M58 HydrophobicContact CD1-CG 4.15Å; T52-M58 PolarHBondContact N-SD 3.49Å; Q53-M58 HydrophobicContact CB-CE 4.46Å; Q53-M58 HydrophobicContact CB-SD 4.47Å; M58-V60 HydrophobicContact CG-CG2 4.06Å; M58-Y130 CarbonylContact O-C 3.52Å; M58-Y130 WeakPolarHBondContact O-CA 3.48Å; M58-V131 HydrophobicContact CB-CG1 3.82Å; M58-V131 PolarHBondContact N-O 3.3Å; M58-V131 PolarHBondContact O-N 2.8Å; M58-I133 HydrophobicContact CB-CD1 4.11Å; M58-I133 HydrophobicContact CB-CG2 3.54Å; M58-I133 HydrophobicContact CE-CD1 4Å; M58-F142 HydrophobicContact CB-CE2 4.34Å; M58-F142 HydrophobicContact CE-CD2 4.5Å; M58-F142 HydrophobicContact CG-CD2 4.33Å; M58-F142 HydrophobicContact CG-CE2 4.25Å
59	Y	98.1	Very high	97.2	Very high	55 Å²	55	42 Å²	42	22%	0.216	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	124.7	167	-177.9	-135	0	0	0	108.9	F51 T52 N61 D128 F129 Y130	F51-Y59 WeakPolarHBondContact CA-O 3.26Å; T52-Y59 PolarHBondContact N-O 3.19Å; T52-Y59 WeakPolarHBondContact O-CB 3.31Å; T52-Y59 PolarHBondContact O-N 2.93Å; Y59-N61 HydrophobicContact CD1-CB 4.41Å; Y59-N61 HydrophobicContact CE1-CB 3.72Å; Y59-N61 HydrophobicContact CE2-CB 4.08Å; Y59-D128 VanDerWaalsContact CE2-OD1 3.32Å; Y59-D128 WeakPolarHBondContact CE2-OD1 3.47Å; Y59-D128 PolarHBondContact OH-OD1 3.45Å; Y59-D128 VanDerWaalsContact OH-OD1 3.09Å; Y59-F129 WeakPolarHBondContact CD2-O 3.39Å; Y59-Y130 HydrophobicContact CD2-CD1 4.3Å; Y59-Y130 HydrophobicContact CD2-CD2 4.27Å; Y59-Y130 AromaticContact CD2-CE1 3.93Å; Y59-Y130 HydrophobicContact CD2-CE1 3.93Å; Y59-Y130 AromaticContact CD2-CE2 3.87Å; Y59-Y130 HydrophobicContact CD2-CE2 3.87Å; Y59-Y130 HydrophobicContact CD2-CG 4.47Å; Y59-Y130 AromaticContact CD2-CZ 3.69Å; Y59-Y130 HydrophobicContact CE2-CE2 4.33Å; Y59-Y130 AromaticContact CG-CE1 4Å; Y59-Y130 HydrophobicContact CG-CE1 4Å
60	V	98.7	Very high	97.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	114.2	-178.7	-174.5	0	0	0	0	108.1	V49 W50 F51 M58 F127 D128 F129 V131	V49-V60 HydrophobicContact CG1-CG1 3.42Å; V49-V60 VanDerWaalsContact CG1-CG1 3.42Å; W50-V60 VanDerWaalsContact O-CA 3.31Å; W50-V60 WeakPolarHBondContact O-CA 3.41Å; F51-V60 HydrophobicContact CD1-CG1 4.29Å; F51-V60 HydrophobicContact CD1-CG2 3.83Å; F51-V60 HydrophobicContact CE1-CG1 4.02Å; F51-V60 HydrophobicContact CE1-CG2 4.09Å; F51-V60 HydrophobicContact CZ-CG1 4.44Å; M58-V60 HydrophobicContact CG-CG2 4.06Å; V60-F127 HydrophobicContact CG1-CB 4.46Å; V60-F127 HydrophobicContact CG1-CD1 4.1Å; V60-D128 WeakPolarHBondContact O-CA 3.42Å; V60-D128 PolarHBondContact O-N 2.97Å; V60-F129 HydrophobicContact CB-CD2 4Å; V60-F129 HydrophobicContact CB-CE2 3.59Å; V60-F129 HydrophobicContact CB-CZ 3.96Å; V60-F129 HydrophobicContact CG1-CE2 3.98Å; V60-F129 HydrophobicContact CG1-CZ 3.86Å; V60-F129 HydrophobicContact CG2-CD2 4.35Å; V60-F129 HydrophobicContact CG2-CE2 3.87Å; V60-F129 PolarHBondContact N-O 3.2Å; V60-F129 PolarHBondContact O-N 2.78Å; V60-F129 VanDerWaalsContact O-N 3.07Å; V60-V131 HydrophobicContact CG2-CG1 4.14Å
61	N	98.5	Very high	97.2	Very high	30 Å²	30	44.7 Å²	44.7	16%	0.16	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	153.4	-175.9	83.2	-78	0	0	0	112.7	V49 W50 Y59 F127	V49-N61 CarbonylContact C-O 3.56Å; W50-N61 VanDerWaalsContact CE3-ND2 3.35Å; W50-N61 PolarHBondContact N-O 3.02Å; W50-N61 PolarHBondContact O-N 3.31Å; Y59-N61 HydrophobicContact CD1-CB 4.41Å; Y59-N61 HydrophobicContact CE1-CB 3.72Å; Y59-N61 HydrophobicContact CE2-CB 4.08Å; N61-F127 CarbonylContact C-O 3.56Å; N61-F127 VanDerWaalsContact CA-O 3.23Å; N61-F127 WeakPolarHBondContact CA-O 3.4Å
62	G	98.6	Very high	97.2	Very high	21 Å²	21	46.8 Å²	46.8	22%	0.216	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	139.3	-159	178.6	0	0	0	0	0	112.6	A48 K126 F127	A48-G62 CarbonylContact O-C 3.59Å; A48-G62 WeakPolarHBondContact O-CA 3.23Å; G62-K126 WeakPolarHBondContact O-CA 3.49Å; G62-F127 PolarHBondContact N-O 3.36Å; G62-F127 PolarHBondContact O-N 3.3Å
63	S	98.7	Very high	97.3	Very high	51 Å²	51	45 Å²	45	36%	0.357	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	150.3	-179.3	59.2	0	0	0	0	113.2	G47 A48 A125	G47-S63 CarbonylContact C-O 3.49Å; G47-S63 VanDerWaalsContact CA-O 3.25Å; G47-S63 WeakPolarHBondContact CA-O 3.38Å; A48-S63 PolarHBondContact N-O 2.9Å; A48-S63 PolarHBondContact O-N 2.83Å; S63-A125 CarbonylContact C-O 3.54Å; S63-A125 WeakPolarHBondContact CA-O 3.38Å; S63-A125 VanDerWaalsContact CB-O 3.31Å; S63-A125 WeakPolarHBondContact CB-O 3.24Å
64	V	98.8	Very high	97.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	128.3	173	-177	0	0	0	0	108.7	F40 V49 L67 V124 A125 F127 I149	F40-V64 HydrophobicContact CB-CG1 4.36Å; F40-V64 HydrophobicContact CD1-CG1 4.3Å; F40-V64 HydrophobicContact CD2-CG1 4.4Å; F40-V64 HydrophobicContact CD2-CG2 3.53Å; F40-V64 HydrophobicContact CE2-CG2 3.64Å; F40-V64 HydrophobicContact CG-CG1 4.11Å; F40-V64 HydrophobicContact CG-CG2 4.09Å; F40-V64 HydrophobicContact CZ-CG2 4.27Å; V49-V64 HydrophobicContact CG2-CG2 3.95Å; V64-L67 HydrophobicContact CB-CD1 4.13Å; V64-L67 HydrophobicContact CG1-CD1 4.15Å; V64-L67 HydrophobicContact CG1-CG 4.35Å; V64-V124 WeakPolarHBondContact O-CA 3.08Å; V64-A125 PolarHBondContact N-O 3.32Å; V64-A125 PolarHBondContact O-N 3.02Å; V64-F127 HydrophobicContact CG2-CE2 3.98Å; V64-I149 HydrophobicContact CB-CD1 4.2Å; V64-I149 HydrophobicContact CG1-CD1 4.22Å; V64-I149 HydrophobicContact CG2-CD1 4.14Å
65	A	98.6	Very high	97.7	Very high	34 Å²	34	39.9 Å²	39.9	28%	0.281	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	171.8	179.2	0	0	0	0	0	111.9	Y45 I46 L67 G123 V124	Y45-A65 WeakPolarHBondContact CA-O 3.38Å; I46-A65 PolarHBondContact N-O 3.05Å; I46-A65 PolarHBondContact O-N 2.75Å; A65-L67 VanDerWaalsContact C-N 3.29Å; A65-L67 PolarHBondContact O-N 2.81Å; A65-G123 CarbonylContact C-O 3.52Å; A65-G123 WeakPolarHBondContact CA-O 3.42Å; A65-V124 HydrophobicContact CB-CG2 3.98Å
66	G	98.4	Very high	98	Very high	38 Å²	38	37.4 Å²	37.4	39%	0.392	22%	0.224	S	C	.	.	S	Bend	trans	76.6	11.2	179.2	0	0	0	0	0	114.9	P44 Y45 G123	P44-G66 WeakPolarHBondContact O-CA 3.34Å; Y45-G66 VanDerWaalsContact CE1-O 3.32Å; Y45-G66 WeakPolarHBondContact CE1-O 3.34Å; G66-G123 PolarHBondContact N-O 3.21Å; G66-G123 VanDerWaalsContact N-O 3.08Å
67	L	98.5	Very high	98.3	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.021	20%	0.202	C	C	.	.	S	Bend	trans	-84.8	155.1	179.4	-65.6	168	0	0	0	111.4	Y45 V64 A65 P69 L73 I117 V119 G123 A125 I149	Y45-L67 HydrophobicContact CD1-CD2 3.76Å; Y45-L67 HydrophobicContact CD1-CG 4.34Å; Y45-L67 HydrophobicContact CE1-CD2 3.84Å; V64-L67 HydrophobicContact CB-CD1 4.13Å; V64-L67 HydrophobicContact CG1-CD1 4.15Å; V64-L67 HydrophobicContact CG1-CG 4.35Å; A65-L67 VanDerWaalsContact C-N 3.29Å; A65-L67 PolarHBondContact O-N 2.81Å; L67-P69 VanDerWaalsContact O-CD 3.24Å; L67-P69 WeakPolarHBondContact O-CD 3.45Å; L67-P69 VanDerWaalsContact O-N 3.13Å; L67-L73 HydrophobicContact CB-CD1 4.2Å; L67-L73 HydrophobicContact CD1-CD1 4.32Å; L67-L73 HydrophobicContact CD2-CD1 4.05Å; L67-L73 HydrophobicContact CG-CD1 4.44Å; L67-I117 HydrophobicContact CD1-CD1 4.27Å; L67-V119 HydrophobicContact CB-CG1 3.77Å; L67-V119 HydrophobicContact CB-CG2 4Å; L67-V119 HydrophobicContact CD1-CG2 4.28Å; L67-G123 PolarHBondContact N-O 3.45Å; L67-G123 WeakPolarHBondContact O-CA 3.36Å; L67-A125 HydrophobicContact CD1-CB 3.58Å; L67-I149 HydrophobicContact CD1-CD1 4.12Å; L67-I149 HydrophobicContact CD2-CD1 4.41Å; L67-I149 HydrophobicContact CD2-CG2 4.15Å
68	P	98.1	Very high	98.5	Very high	50 Å²	50	27.8 Å²	27.8	33%	0.325	18%	0.18	S	C	.	.			trans	-53.6	115.7	174.6	-29.4	37.2	0	0	0	112.8	K71 V119 L174	P68-K71 HydrophobicContact CB-CG 3.92Å; P68-V119 WeakPolarHBondContact O-CB 3.38Å; P68-V119 WeakPolarHBondContact O-CG1 3.44Å; P68-L174 HydrophobicContact CG-CD1 4.02Å
69	P	98.3	Very high	98.6	Very high	77 Å²	77	33.5 Å²	33.5	50%	0.5	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	147.7	-174.3	-25.3	34.5	0	0	0	114.2	L67 K71 G120 R121	L67-P69 VanDerWaalsContact O-CD 3.24Å; L67-P69 WeakPolarHBondContact O-CD 3.45Å; L67-P69 VanDerWaalsContact O-N 3.13Å; P69-K71 PolarHBondContact O-N 2.96Å; P69-G120 WeakPolarHBondContact CA-O 3.5Å; P69-R121 WeakPolarHBondContact CB-O 3.32Å
70	G	98	Very high	98.6	Very high	50 Å²	50	36 Å²	36	52%	0.515	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	7.2	173	0	0	0	0	0	115.3	V119 G120	G70-V119 WeakPolarHBondContact CA-O 3.33Å; G70-V119 PolarHBondContact N-O 2.84Å; G70-V119 VanDerWaalsContact N-O 3.13Å; G70-G120 PolarHBondContact N-O 2.88Å
71	K	98	Very high	98.6	Very high	117 Å²	117	36.9 Å²	36.9	51%	0.509	22%	0.22	S	C	.	.			trans	-90.8	158.2	179.7	-61.1	-64.5	-175.8	171.4	0	112.5	P68 P69 L73 V119	P68-K71 HydrophobicContact CB-CG 3.92Å; P69-K71 PolarHBondContact O-N 2.96Å; K71-L73 HydrophobicContact CB-CD2 3.71Å; K71-L73 HydrophobicContact CB-CG 4.18Å; K71-L73 HydrophobicContact CG-CD2 4.49Å; K71-V119 PolarHBondContact O-N 2.96Å
72	L	98.6	Very high	98.6	Very high	47 Å²	47	36.9 Å²	36.9	25%	0.246	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	124.1	157.9	-69.7	176.3	0	0	0	106.8	N116 I117 R118 R153	L72-N116 HydrophobicContact CB-CB 4.29Å; L72-N116 HydrophobicContact CD2-CB 4.44Å; L72-I117 WeakPolarHBondContact CA-O 3.3Å; L72-R118 HydrophobicContact CD2-CB 3.88Å; L72-R118 HydrophobicContact CD2-CG 4.3Å; L72-R153 HydrophobicContact CB-CB 4.33Å; L72-R153 HydrophobicContact CB-CG 4.08Å; L72-R153 WeakPolarHBondContact O-CA 3.2Å; L72-R153 PolarHBondContact O-N 2.82Å
73	L	98.7	Very high	98.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	126.4	-175.5	-60	-176.5	0	0	0	109.5	L67 K71 T75 N116 I117 V119 I149 H150 A151 L174	L67-L73 HydrophobicContact CB-CD1 4.2Å; L67-L73 HydrophobicContact CD1-CD1 4.32Å; L67-L73 HydrophobicContact CD2-CD1 4.05Å; L67-L73 HydrophobicContact CG-CD1 4.44Å; K71-L73 HydrophobicContact CB-CD2 3.71Å; K71-L73 HydrophobicContact CB-CG 4.18Å; K71-L73 HydrophobicContact CG-CD2 4.49Å; L73-T75 PolarHBondContact O-N 3.26Å; L73-T75 PolarHBondContact O-OG1 3Å; L73-N116 WeakPolarHBondContact O-CA 3.28Å; L73-I117 HydrophobicContact CB-CD1 3.98Å; L73-I117 HydrophobicContact CB-CG1 4.31Å; L73-I117 HydrophobicContact CD1-CD1 4.35Å; L73-I117 PolarHBondContact N-O 3.45Å; L73-I117 PolarHBondContact O-N 3.14Å; L73-V119 HydrophobicContact CD1-CG2 3.46Å; L73-V119 VanDerWaalsContact CD1-CG2 3.46Å; L73-V119 HydrophobicContact CG-CG2 3.77Å; L73-I149 HydrophobicContact CB-CG2 3.84Å; L73-I149 HydrophobicContact CD1-CG2 3.73Å; L73-I149 HydrophobicContact CG-CG2 4.44Å; L73-H150 WeakPolarHBondContact CB-O 3.44Å; L73-H150 WeakPolarHBondContact CD2-O 3.38Å; L73-A151 VanDerWaalsContact CD2-O 3.27Å; L73-A151 WeakPolarHBondContact CD2-O 3.49Å; L73-L174 HydrophobicContact CD1-CD1 4.04Å; L73-L174 HydrophobicContact CD2-CD1 4.35Å
74	G	98.8	Very high	98.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	132.5	172.9	0	0	0	0	0	110.1	H150 N152	G74-H150 WeakPolarHBondContact O-CB 3.49Å; G74-H150 PolarHBondContact O-CD2 3.12Å; G74-H150 PolarHBondContact O-N 3.06Å; G74-N152 PolarHBondContact N-O 3.44Å
75	T	98.9	Very high	98.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	127.9	-173.3	-59.3	0	0	0	0	110	L73 L114 G115 I117 F127 L147 V148 I149	L73-T75 PolarHBondContact O-N 3.26Å; L73-T75 PolarHBondContact O-OG1 3Å; T75-L114 HydrophobicContact CG2-CD1 4.41Å; T75-L114 WeakPolarHBondContact O-CA 3.38Å; T75-L114 VanDerWaalsContact O-CB 3.24Å; T75-L114 WeakPolarHBondContact O-CB 3.28Å; T75-L114 PolarHBondContact O-N 2.84Å; T75-G115 PolarHBondContact N-O 3.27Å; T75-G115 PolarHBondContact O-N 3.43Å; T75-I117 WeakPolarHBondContact OG1-CG1 3.46Å; T75-F127 HydrophobicContact CG2-CE1 3.82Å; T75-F127 HydrophobicContact CG2-CZ 4.13Å; T75-L147 HydrophobicContact CG2-CD1 3.67Å; T75-L147 HydrophobicContact CG2-CG 4.36Å; T75-V148 WeakPolarHBondContact CA-O 3.48Å; T75-I149 HydrophobicContact CG2-CG1 4.07Å
76	H	98.9	Very high	98.2	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	152.7	-172	-42.2	101.2	0	0	0	111.4	H93 H101 G112 D113 V148 H150 D154 S170	H76-H93 AromaticContact CD2-CE1 3.36Å; H76-H93 PolarHBondContact CD2-CE1 2.84Å; H76-H93 AromaticContact CD2-ND1 3.68Å; H76-H93 AromaticContact CE1-CE1 3.45Å; H76-H93 PolarHBondContact CE1-CE1 3.37Å; H76-H93 VanDerWaalsContact CE1-CE1 3.45Å; H76-H93 AromaticContact CE1-NE2 3.77Å; H76-H93 AromaticContact CG-CE1 3.24Å; H76-H93 AromaticContact CG-ND1 3.62Å; H76-H93 AromaticContact CG-NE2 3.57Å; H76-H93 AromaticContact ND1-CE1 3.3Å; H76-H93 PolarHBondContact ND1-CE1 3.3Å; H76-H93 VanDerWaalsContact ND1-CE1 3.3Å; H76-H93 AromaticContact ND1-NE2 3.32Å; H76-H93 PolarHBondContact ND1-NE2 3.02Å; H76-H93 AromaticContact NE2-CE1 3.5Å; H76-H101 AromaticContact NE2-CE1 3.79Å; H76-G112 CarbonylContact C-O 3.59Å; H76-G112 VanDerWaalsContact CA-O 3.26Å; H76-G112 WeakPolarHBondContact CA-O 3.41Å; H76-D113 IonicContact CD2-OD1 3.43Å; H76-V148 PolarHBondContact N-O 3.44Å; H76-V148 PolarHBondContact O-N 3.02Å; H76-H150 AromaticContact CE1-CD2 3.66Å; H76-H150 AromaticContact CE1-NE2 3.77Å; H76-H150 AromaticContact ND1-CD2 3.2Å; H76-H150 PolarHBondContact ND1-CD2 3.19Å; H76-H150 AromaticContact ND1-NE2 3.02Å; H76-H150 PolarHBondContact ND1-NE2 2.99Å; H76-D154 IonicContact NE2-OD2 3.99Å; H76-D154 PolarHBondContact NE2-OD2 3.23Å; H76-S170 PolarHBondContact CE1-OG 3.06Å
77	V	98.9	Very high	98.1	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	123.9	160.7	-176.9	0	0	0	0	108.4	F94 G112 L114 F142 R145 A146 L147 I179	V77-F94 HydrophobicContact CG1-CB 4.36Å; V77-F94 WeakPolarHBondContact O-CB 3.32Å; V77-F94 PolarHBondContact O-N 3.36Å; V77-G112 PolarHBondContact N-O 3.44Å; V77-L114 HydrophobicContact CG2-CD1 4.04Å; V77-L114 HydrophobicContact CG2-CD2 4.49Å; V77-L114 HydrophobicContact CG2-CG 4.42Å; V77-F142 HydrophobicContact CB-CD1 4.04Å; V77-F142 HydrophobicContact CB-CE1 4.23Å; V77-F142 HydrophobicContact CG1-CB 4.22Å; V77-F142 HydrophobicContact CG1-CD1 3.73Å; V77-F142 HydrophobicContact CG1-CE1 4.39Å; V77-F142 HydrophobicContact CG1-CG 4.15Å; V77-F142 HydrophobicContact CG2-CD1 3.96Å; V77-F142 HydrophobicContact CG2-CD2 4.27Å; V77-F142 HydrophobicContact CG2-CE1 4.13Å; V77-F142 HydrophobicContact CG2-CE2 4.43Å; V77-F142 HydrophobicContact CG2-CG 4.04Å; V77-F142 HydrophobicContact CG2-CZ 4.35Å; V77-R145 HydrophobicContact CG1-CB 3.54Å; V77-R145 HydrophobicContact CG1-CG 4.26Å; V77-A146 CarbonylContact C-O 3.59Å; V77-A146 WeakPolarHBondContact CA-O 3.5Å; V77-L147 HydrophobicContact CG2-CD1 4.47Å; V77-I179 HydrophobicContact CG1-CD1 3.83Å; V77-I179 HydrophobicContact CG2-CD1 3.97Å
78	H	98.8	Very high	98.1	Very high	2 Å²	2	51 Å²	51	1%	0.009	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	161.3	178.6	-79.4	-115.1	0	0	0	111.7	Y80 A90 G91 P92 H93 R145 A146 V148 H150	H78-Y80 PolarHBondContact O-N 3.4Å; H78-A90 HydrophobicContact CB-CB 3.67Å; H78-A90 WeakPolarHBondContact CB-O 3.43Å; H78-G91 PolarHBondContact ND1-O 3.25Å; H78-P92 CarbonylContact C-O 3.26Å; H78-P92 WeakPolarHBondContact CA-O 3.48Å; H78-H93 AromaticContact CE1-CD2 3.76Å; H78-H93 AromaticContact NE2-CD2 3.74Å; H78-R145 VanDerWaalsContact O-CB 3.27Å; H78-R145 WeakPolarHBondContact O-CB 3.41Å; H78-A146 PolarHBondContact N-O 2.8Å; H78-V148 HydrophobicContact CB-CG2 4.11Å; H78-V148 VanDerWaalsContact CD2-CB 3.4Å; H78-V148 WeakPolarHBondContact CD2-CB 3.45Å; H78-V148 WeakPolarHBondContact CD2-CG2 3.45Å; H78-V148 WeakPolarHBondContact NE2-CB 3.13Å; H78-H150 AromaticContact CE1-NE2 3.86Å; H78-H150 AromaticContact NE2-CE1 3.78Å; H78-H150 AromaticContact NE2-NE2 3.2Å; H78-H150 PolarHBondContact NE2-NE2 3.22Å; H78-H150 VanDerWaalsContact NE2-NE2 3.2Å
79	R	98.7	Very high	98.1	Very high	128 Å²	128	54 Å²	54	48%	0.483	29%	0.293	S	S	.	.	S	Bend	trans	-61.8	-41.3	-170.3	-177.5	176.2	176.9	179.8	-2.1	113	A90 P92 R145	R79-A90 PolarHBondContact N-O 2.91Å; R79-P92 HydrophobicContact CB-CG 4.26Å; R79-P92 PolarHBondContact N-O 2.91Å; R79-R145 PolarHBondContact O-NH1 3.02Å
80	Y	98.6	Very high	98.2	Very high	107 Å²	107	50.3 Å²	50.3	42%	0.42	27%	0.269	S	S	.	.			trans	-114.4	155.6	-173.4	-51.1	-61.8	0	0	0	111.5	H78 A90 A146	H78-Y80 PolarHBondContact O-N 3.4Å; Y80-A90 PolarHBondContact N-O 3.29Å; Y80-A90 WeakPolarHBondContact O-CA 3.5Å; Y80-A146 VanDerWaalsContact O-CB 3.32Å; Y80-A146 WeakPolarHBondContact O-CB 3.11Å; Y80-A146 PolarHBondContact O-N 3.48Å
81	G	98.5	Very high	98.2	Very high	19 Å²	19	48.8 Å²	48.8	20%	0.196	25%	0.253	C	S	.	.			trans	-85.7	-2.9	176.6	0	0	0	0	0	115	G144 T178	G81-G144 VanDerWaalsContact CA-O 3.23Å; G81-G144 WeakPolarHBondContact CA-O 3.17Å; G81-G144 PolarHBondContact N-O 2.87Å; G81-T178 PolarHBondContact O-OG1 3.39Å
82	G	98.4	Very high	98.2	Very high	29 Å²	29	46.9 Å²	46.9	30%	0.299	25%	0.253	S	S	.	.			trans	-68.2	134.8	178	0	0	0	0	0	111.9	E89 A90	G82-E89 CarbonylContact O-C 3.3Å; G82-E89 VanDerWaalsContact O-C 3.3Å; G82-A90 VanDerWaalsContact O-CA 3.26Å; G82-A90 WeakPolarHBondContact O-CA 3.24Å; G82-A90 WeakPolarHBondContact O-CB 3.49Å; G82-A90 PolarHBondContact O-N 3.44Å
83	L	98.1	Very high	98.2	Very high	63 Å²	63	45 Å²	45	33%	0.33	24%	0.243	S	C	.	.			trans	-115.8	-0.5	-175.9	-50.9	-178.9	0	0	0	113.2	C87 A146 C176 T178	L83-C87 WeakPolarHBondContact O-CA 3.48Å; L83-C87 PolarHBondContact O-N 3.08Å; L83-C87 VanDerWaalsContact O-N 3.09Å; L83-A146 HydrophobicContact CD2-CB 3.73Å; L83-C176 HydrophobicContact CD2-CB 3.99Å; L83-T178 WeakPolarHBondContact CD1-OG1 3.21Å; L83-T178 WeakPolarHBondContact CG-OG1 3.18Å
84	G	96.7	Very high	98.2	Very high	27 Å²	27	45.4 Å²	45.4	28%	0.278	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	171	179.3	0	0	0	0	0	112.6	M86 C87 L88 E89	G84-M86 VanDerWaalsContact C-N 3.34Å; G84-M86 PolarHBondContact O-N 3.34Å; G84-C87 CarbonylContact O-C 3.55Å; G84-C87 PolarHBondContact O-N 3.26Å; G84-L88 PolarHBondContact O-N 3.3Å; G84-E89 WeakPolarHBondContact CA-OE1 3.49Å; G84-E89 VanDerWaalsContact CA-OE2 3.27Å; G84-E89 WeakPolarHBondContact CA-OE2 3.49Å; G84-E89 PolarHBondContact N-OE2 3.25Å; G84-E89 VanDerWaalsContact N-OE2 3.11Å; G84-E89 PolarHBondContact O-N 3.24Å
85	N	96.7	Very high	98.2	Very high	102 Å²	102	47.5 Å²	47.5	55%	0.545	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	51.6	-177.8	-168.4	15	0	0	0	112.7	C87 L88 E89	N85-C87 PolarHBondContact O-N 3.28Å; N85-L88 HydrophobicContact CB-CB 4.21Å; N85-L88 WeakPolarHBondContact O-CB 3.4Å; N85-L88 WeakPolarHBondContact O-CG 3.35Å; N85-L88 PolarHBondContact O-N 2.8Å; N85-E89 HydrophobicContact CB-CG 4.46Å
86	M	94.6	Very high	98.1	Very high	154 Å²	154	49.4 Å²	49.4	76%	0.759	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	53	-178.1	-58.6	175.2	-78.1	0	0	112.1	G84 L88	G84-M86 VanDerWaalsContact C-N 3.34Å; G84-M86 PolarHBondContact O-N 3.34Å; M86-L88 PolarHBondContact O-N 2.88Å; M86-L88 VanDerWaalsContact O-N 3.15Å
87	C	98	Very high	98	Very high	11 Å²	11	53.8 Å²	53.8	7%	0.074	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.5	-2.8	-177.4	-48.3	0	0	0	0	115.7	L83 G84 N85 E89 A90 R173 C176	L83-C87 WeakPolarHBondContact O-CA 3.48Å; L83-C87 PolarHBondContact O-N 3.08Å; L83-C87 VanDerWaalsContact O-N 3.09Å; G84-C87 CarbonylContact O-C 3.55Å; G84-C87 PolarHBondContact O-N 3.26Å; N85-C87 PolarHBondContact O-N 3.28Å; C87-E89 PolarHBondContact O-N 3.21Å; C87-A90 WeakPolarHBondContact O-CB 3.26Å; C87-A90 PolarHBondContact O-N 2.98Å; C87-A90 VanDerWaalsContact O-N 3.11Å; C87-R173 HydrophobicContact CB-CB 4.07Å; C87-R173 HydrophobicContact CB-CG 4.45Å; C87-R173 PolarHBondContact O-NH1 3.27Å; C87-C176 VanDerWaalsContact CA-SG 3.58Å; C87-C176 HydrophobicContact CB-CB 3.61Å; C87-C176 WeakPolarHBondContact CB-SG 3.27Å; C87-C176 WeakPolarHBondContact SG-CB 3.46Å; C87-C176 CovalentContact SG-SG 2.01Å; C87-C176 PolarHBondContact SG-SG 3.33Å
88	L	98	Very high	97.9	Very high	89 Å²	89	60.8 Å²	60.8	47%	0.466	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-63.1	-28.9	-176.4	-69.2	174.1	0	0	0	112.8	G84 N85 M86 A90 G91	G84-L88 PolarHBondContact O-N 3.3Å; N85-L88 HydrophobicContact CB-CB 4.21Å; N85-L88 WeakPolarHBondContact O-CB 3.4Å; N85-L88 WeakPolarHBondContact O-CG 3.35Å; N85-L88 PolarHBondContact O-N 2.8Å; M86-L88 PolarHBondContact O-N 2.88Å; M86-L88 VanDerWaalsContact O-N 3.15Å; L88-A90 PolarHBondContact O-N 2.93Å; L88-A90 VanDerWaalsContact O-N 3.12Å; L88-G91 PolarHBondContact O-N 3.49Å
89	E	98.5	Very high	97.9	Very high	112 Å²	112	63 Å²	63	52%	0.523	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-63	-15.8	175.8	-72.8	174.8	-163.6	0	0	114.1	G82 G84 N85 C87 G91	G82-E89 CarbonylContact O-C 3.3Å; G82-E89 VanDerWaalsContact O-C 3.3Å; G84-E89 WeakPolarHBondContact CA-OE1 3.49Å; G84-E89 VanDerWaalsContact CA-OE2 3.27Å; G84-E89 WeakPolarHBondContact CA-OE2 3.49Å; G84-E89 PolarHBondContact N-OE2 3.25Å; G84-E89 VanDerWaalsContact N-OE2 3.11Å; G84-E89 PolarHBondContact O-N 3.24Å; N85-E89 HydrophobicContact CB-CG 4.46Å; C87-E89 PolarHBondContact O-N 3.21Å; E89-G91 PolarHBondContact O-N 3.21Å
90	A	98.7	Very high	97.8	Very high	0 Å²	0	64 Å²	64	0%	0	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-67.1	-16	173.8	0	0	0	0	0	112.1	H78 R79 Y80 G82 C87 L88 A146 V148	H78-A90 HydrophobicContact CB-CB 3.67Å; H78-A90 WeakPolarHBondContact CB-O 3.43Å; R79-A90 PolarHBondContact N-O 2.91Å; Y80-A90 PolarHBondContact N-O 3.29Å; Y80-A90 WeakPolarHBondContact O-CA 3.5Å; G82-A90 VanDerWaalsContact O-CA 3.26Å; G82-A90 WeakPolarHBondContact O-CA 3.24Å; G82-A90 WeakPolarHBondContact O-CB 3.49Å; G82-A90 PolarHBondContact O-N 3.44Å; C87-A90 WeakPolarHBondContact O-CB 3.26Å; C87-A90 PolarHBondContact O-N 2.98Å; C87-A90 VanDerWaalsContact O-N 3.11Å; L88-A90 PolarHBondContact O-N 2.93Å; L88-A90 VanDerWaalsContact O-N 3.12Å; A90-A146 HydrophobicContact CB-CB 3.77Å; A90-V148 HydrophobicContact CB-CG2 4.27Å
91	G	98.6	Very high	97.8	Very high	17 Å²	17	59.1 Å²	59.1	18%	0.175	32%	0.32	C	S	.	.			trans	74.8	-155.3	175.8	0	0	0	0	0	113.3	H78 L88 E89 R173	H78-G91 PolarHBondContact ND1-O 3.25Å; L88-G91 PolarHBondContact O-N 3.49Å; E89-G91 PolarHBondContact O-N 3.21Å; G91-R173 PolarHBondContact O-NH1 2.8Å; G91-R173 PolarHBondContact O-NH2 3.24Å
92	P	98.6	Very high	97.8	Very high	77 Å²	77	58.2 Å²	58.2	50%	0.5	31%	0.311	S	S	.	.	S	Bend	trans	-73.6	176.1	178.3	32.9	-36.5	0	0	0	111.5	H78 R79	H78-P92 CarbonylContact C-O 3.26Å; H78-P92 WeakPolarHBondContact CA-O 3.48Å; R79-P92 HydrophobicContact CB-CG 4.26Å; R79-P92 PolarHBondContact N-O 2.91Å
93	H	98.8	Very high	97.8	Very high	9 Å²	9	58.7 Å²	58.7	4%	0.042	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-56.8	149.4	169.6	-64.6	-165.2	0	0	0	109.8	H76 H78 N95 H101 H110 D113	H76-H93 AromaticContact CD2-CE1 3.36Å; H76-H93 PolarHBondContact CD2-CE1 2.84Å; H76-H93 AromaticContact CD2-ND1 3.68Å; H76-H93 AromaticContact CE1-CE1 3.45Å; H76-H93 PolarHBondContact CE1-CE1 3.37Å; H76-H93 VanDerWaalsContact CE1-CE1 3.45Å; H76-H93 AromaticContact CE1-NE2 3.77Å; H76-H93 AromaticContact CG-CE1 3.24Å; H76-H93 AromaticContact CG-ND1 3.62Å; H76-H93 AromaticContact CG-NE2 3.57Å; H76-H93 AromaticContact ND1-CE1 3.3Å; H76-H93 PolarHBondContact ND1-CE1 3.3Å; H76-H93 VanDerWaalsContact ND1-CE1 3.3Å; H76-H93 AromaticContact ND1-NE2 3.32Å; H76-H93 PolarHBondContact ND1-NE2 3.02Å; H76-H93 AromaticContact NE2-CE1 3.5Å; H78-H93 AromaticContact CE1-CD2 3.76Å; H78-H93 AromaticContact NE2-CD2 3.74Å; H93-N95 PolarHBondContact O-N 2.9Å; H93-H101 AromaticContact CE1-ND1 3.85Å; H93-H101 AromaticContact ND1-ND1 3.71Å; H93-H110 HydrophobicContact CB-CB 4.4Å; H93-H110 VanDerWaalsContact CB-ND1 3.34Å; H93-H110 WeakPolarHBondContact CB-ND1 3.39Å; H93-H110 AromaticContact CG-ND1 3.71Å; H93-H110 AromaticContact ND1-ND1 3.43Å; H93-H110 PolarHBondContact ND1-ND1 3.43Å; H93-D113 IonicContact CE1-OD1 3.83Å; H93-D113 IonicContact CG-OD1 3.86Å; H93-D113 IonicContact ND1-OD1 3.75Å; H93-D113 PolarHBondContact ND1-OD1 3.23Å
94	F	98.6	Very high	97.7	Very high	7 Å²	7	58.9 Å²	58.9	3%	0.031	31%	0.305	C	S	.	.			trans	-69.2	102.2	174.9	176.2	-132.2	0	0	0	110.3	V77 P96 A111 G112 L136 F139 F142 R145	V77-F94 HydrophobicContact CG1-CB 4.36Å; V77-F94 WeakPolarHBondContact O-CB 3.32Å; V77-F94 PolarHBondContact O-N 3.36Å; F94-P96 HydrophobicContact CD2-CG 4.41Å; F94-P96 HydrophobicContact CE1-CG 4Å; F94-P96 HydrophobicContact CE2-CB 3.74Å; F94-P96 HydrophobicContact CE2-CG 3.69Å; F94-P96 HydrophobicContact CZ-CB 3.85Å; F94-P96 HydrophobicContact CZ-CG 3.45Å; F94-P96 VanDerWaalsContact CZ-CG 3.45Å; F94-P96 WeakPolarHBondContact O-CD 3.27Å; F94-A111 HydrophobicContact CD1-CB 3.82Å; F94-A111 HydrophobicContact CE1-CB 3.87Å; F94-A111 PolarHBondContact O-N 2.89Å; F94-G112 PolarHBondContact O-N 3.02Å; F94-L136 HydrophobicContact CE1-CD1 4.27Å; F94-L136 HydrophobicContact CE1-CD2 3.93Å; F94-L136 HydrophobicContact CZ-CD2 4.23Å; F94-F139 HydrophobicContact CE2-CD1 4.45Å; F94-F139 HydrophobicContact CZ-CB 3.71Å; F94-F139 HydrophobicContact CZ-CD1 4.28Å; F94-F139 HydrophobicContact CZ-CD2 4.4Å; F94-F139 AromaticContact CZ-CG 3.89Å; F94-F139 HydrophobicContact CZ-CG 3.89Å; F94-F142 HydrophobicContact CD1-CD1 4.04Å; F94-F142 HydrophobicContact CD1-CE1 4.04Å; F94-F142 HydrophobicContact CE1-CD1 4.39Å; F94-F142 HydrophobicContact CE1-CE1 4.43Å; F94-R145 VanDerWaalsContact CE2-NH1 3.33Å; F94-R145 VanDerWaalsContact CZ-NH2 3.29Å
95	N	98.1	Very high	97.6	Very high	45 Å²	45	62 Å²	62	24%	0.241	31%	0.312	C	S	.	.			trans	-127	69.3	-174	-173.5	15.3	0	0	0	111.6	H93 F97 N98 Q99 H110	H93-N95 PolarHBondContact O-N 2.9Å; N95-F97 PolarHBondContact O-N 2.97Å; N95-N98 PolarHBondContact OD1-N 2.95Å; N95-Q99 PolarHBondContact ND2-N 2.91Å; N95-Q99 PolarHBondContact ND2-O 2.77Å; N95-Q99 PolarHBondContact OD1-N 2.97Å; N95-H110 HydrophobicContact CB-CB 4.1Å; N95-H110 PolarHBondContact ND2-CD2 2.81Å; N95-H110 PolarHBondContact ND2-NE2 3.32Å; N95-H110 PolarHBondContact OD1-CD2 2.75Å
96	P	97.5	Very high	97.3	Very high	39 Å²	39	59.8 Å²	59.8	25%	0.253	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-18.9	-176.8	29.9	-35.5	0	0	0	113.3	F94 A111 L136 F139	F94-P96 HydrophobicContact CD2-CG 4.41Å; F94-P96 HydrophobicContact CE1-CG 4Å; F94-P96 HydrophobicContact CE2-CB 3.74Å; F94-P96 HydrophobicContact CE2-CG 3.69Å; F94-P96 HydrophobicContact CZ-CB 3.85Å; F94-P96 HydrophobicContact CZ-CG 3.45Å; F94-P96 VanDerWaalsContact CZ-CG 3.45Å; F94-P96 WeakPolarHBondContact O-CD 3.27Å; P96-A111 HydrophobicContact CG-CB 3.9Å; P96-L136 HydrophobicContact CG-CD2 3.9Å; P96-F139 HydrophobicContact CB-CD1 4.3Å; P96-F139 HydrophobicContact CB-CD2 4.11Å; P96-F139 HydrophobicContact CB-CE1 3.89Å; P96-F139 HydrophobicContact CB-CE2 3.68Å; P96-F139 HydrophobicContact CB-CG 4.41Å; P96-F139 HydrophobicContact CB-CZ 3.55Å; P96-F139 HydrophobicContact CG-CD2 4.43Å; P96-F139 HydrophobicContact CG-CE2 4.3Å
97	F	96.4	Very high	97.2	Very high	92 Å²	92	60.9 Å²	60.9	40%	0.404	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	12.1	-174.2	-52.6	-53.7	0	0	0	113.4	N95 Q99 L136 F139	N95-F97 PolarHBondContact O-N 2.97Å; F97-Q99 VanDerWaalsContact C-N 3.29Å; F97-Q99 HydrophobicContact CB-CG 3.96Å; F97-Q99 PolarHBondContact O-N 2.82Å; F97-Q99 PolarHBondContact O-NE2 3.5Å; F97-Q99 VanDerWaalsContact O-NE2 3.08Å; F97-L136 HydrophobicContact CE2-CD2 3.59Å; F97-L136 HydrophobicContact CZ-CD2 3.68Å; F97-F139 HydrophobicContact CE1-CE2 4.14Å; F97-F139 HydrophobicContact CZ-CE2 4.44Å
98	N	97.2	Very high	97.1	Very high	148 Å²	148	62.7 Å²	62.7	79%	0.791	32%	0.322	S	S	*	.			trans	48.7	48.2	179.2	-165.7	40.9	0	0	0	113.4	N95	N95-N98 PolarHBondContact OD1-N 2.95Å
99	Q	97.8	Very high	97	Very high	47 Å²	47	59.4 Å²	59.4	22%	0.22	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-94.8	164.4	-179.8	-65	-56.7	-35.4	0	0	111.5	N95 F97 Y107 R109 H110	N95-Q99 PolarHBondContact ND2-N 2.91Å; N95-Q99 PolarHBondContact ND2-O 2.77Å; N95-Q99 PolarHBondContact OD1-N 2.97Å; F97-Q99 VanDerWaalsContact C-N 3.29Å; F97-Q99 HydrophobicContact CB-CG 3.96Å; F97-Q99 PolarHBondContact O-N 2.82Å; F97-Q99 PolarHBondContact O-NE2 3.5Å; F97-Q99 VanDerWaalsContact O-NE2 3.08Å; Q99-Y107 HydrophobicContact CG-CE2 4.18Å; Q99-Y107 PolarHBondContact NE2-OH 3.27Å; Q99-Y107 PolarHBondContact OE1-OH 2.99Å; Q99-R109 WeakPolarHBondContact CB-O 3.32Å; Q99-H110 PolarHBondContact O-CD2 3.2Å; Q99-H110 PolarHBondContact O-NE2 3.38Å; Q99-H110 VanDerWaalsContact O-NE2 3.13Å
100	R	98	Very high	97	Very high	149 Å²	149	54.6 Å²	54.6	56%	0.562	28%	0.281	S	S	*	.	P	Polyproline II helix	trans	-73.3	153.2	163.3	-68.8	-177.7	173.4	178.9	-2.1	110	P108 R109	R100-P108 HydrophobicContact CB-CB 4.26Å; R100-P108 HydrophobicContact CB-CG 4.19Å; R100-R109 CarbonylContact O-C 3.52Å; R100-R109 VanDerWaalsContact O-C 3.26Å; R100-R109 WeakPolarHBondContact O-CA 3.35Å; R100-R109 PolarHBondContact O-N 3.47Å
101	H	98.6	Very high	97	Very high	5 Å²	5	54.9 Å²	54.9	2%	0.023	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-57.4	147.7	169.6	176.5	71.6	0	0	0	110.5	H76 H93 H110 D113 D154 G157 S164 R165 G168	H76-H101 AromaticContact NE2-CE1 3.79Å; H93-H101 AromaticContact CE1-ND1 3.85Å; H93-H101 AromaticContact ND1-ND1 3.71Å; H101-H110 PolarHBondContact N-NE2 3.43Å; H101-D113 WeakPolarHBondContact CA-OD2 3.31Å; H101-D113 VanDerWaalsContact CE1-CG 3.49Å; H101-D113 IonicContact CE1-OD1 3.43Å; H101-D113 PolarHBondContact CE1-OD1 3.44Å; H101-D113 IonicContact CE1-OD2 3.61Å; H101-D113 IonicContact CG-OD2 3.09Å; H101-D113 IonicContact ND1-OD1 2.84Å; H101-D113 PolarHBondContact ND1-OD1 3.46Å; H101-D113 IonicContact ND1-OD2 3.68Å; H101-D113 PolarHBondContact ND1-OD2 3.09Å; H101-D154 IonicContact CD2-OD1 3.46Å; H101-D154 IonicContact CE1-OD1 3.44Å; H101-D154 IonicContact CE1-OD2 3.63Å; H101-D154 PolarHBondContact CE1-OD2 3.28Å; H101-D154 IonicContact NE2-OD1 3.69Å; H101-D154 PolarHBondContact NE2-OD1 3.23Å; H101-D154 IonicContact NE2-OD2 2.89Å; H101-D154 PolarHBondContact NE2-OD2 3.19Å; H101-G157 PolarHBondContact CD2-N 2.85Å; H101-S164 PolarHBondContact CD2-O 3.2Å; H101-S164 VanDerWaalsContact CD2-O 3.23Å; H101-R165 VanDerWaalsContact CB-O 3.26Å; H101-R165 WeakPolarHBondContact CB-O 3.13Å; H101-R165 PolarHBondContact N-O 3.19Å; H101-G168 WeakPolarHBondContact CD2-CA 3.43Å; H101-G168 PolarHBondContact CD2-N 3.49Å; H101-G168 VanDerWaalsContact NE2-CA 3.28Å; H101-G168 WeakPolarHBondContact NE2-CA 3.44Å
102	G	98.1	Very high	97	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.01	28%	0.275	C	S	.	.			trans	-165.1	-173	178.4	0	0	0	0	0	113.3	D113	G102-D113 PolarHBondContact N-OD2 3.48Å; G102-D113 WeakPolarHBondContact O-CB 3.23Å
103	P	97.4	Very high	97	Very high	39 Å²	39	50.4 Å²	50.4	25%	0.253	25%	0.251	S	S	.	.			trans	-64.6	165.9	178.2	27.7	-34.9	0	0	0	112.6	H105 R109 L156	P103-H105 VanDerWaalsContact CG-O 3.28Å; P103-H105 WeakPolarHBondContact CG-O 3.42Å; P103-H105 PolarHBondContact O-N 3.38Å; P103-H105 VanDerWaalsContact O-N 3.09Å; P103-R109 WeakPolarHBondContact O-CB 3.4Å; P103-R109 VanDerWaalsContact O-CD 3.27Å; P103-R109 WeakPolarHBondContact O-CD 3.21Å; P103-R109 PolarHBondContact O-NE 3Å; P103-L156 HydrophobicContact CB-CB 4.23Å; P103-L156 HydrophobicContact CB-CD1 4.48Å; P103-L156 HydrophobicContact CB-CD2 4.44Å; P103-L156 WeakPolarHBondContact CD-O 3.25Å
104	R	97.1	Very high	97	Very high	66 Å²	66	50 Å²	50	25%	0.249	25%	0.249	C	C	.	.	S	Bend	trans	-52.5	-32	174.6	-174.8	173.2	60.1	-131.7	4.7	114.2	R109 D113 L114 F129 Y130 V131	R104-R109 PolarHBondContact O-NE 2.71Å; R104-R109 VanDerWaalsContact O-NE 3.08Å; R104-D113 WeakPolarHBondContact CA-O 3.36Å; R104-L114 WeakPolarHBondContact CB-O 3.39Å; R104-L114 WeakPolarHBondContact CD-O 3.39Å; R104-F129 VanDerWaalsContact CD-CD2 3.45Å; R104-Y130 WeakPolarHBondContact CD-O 3.32Å; R104-V131 HydrophobicContact CG-CB 4.27Å; R104-V131 HydrophobicContact CG-CG2 4.18Å
105	H	94.8	Very high	97	Very high	92 Å²	92	49.8 Å²	49.8	43%	0.426	25%	0.249	S	C	.	.	S	Bend	trans	-128	141.6	-178.7	-54.1	-70.1	0	0	0	110.4	P103 Y130	P103-H105 VanDerWaalsContact CG-O 3.28Å; P103-H105 WeakPolarHBondContact CG-O 3.42Å; P103-H105 PolarHBondContact O-N 3.38Å; P103-H105 VanDerWaalsContact O-N 3.09Å; H105-Y130 PolarHBondContact CE1-O 3.43Å; H105-Y130 PolarHBondContact NE2-O 3.38Å
106	G	91	Very high	97	Very high	56 Å²	56	49.2 Å²	49.2	58%	0.577	25%	0.246	S	C	*	.	S	Bend	trans	105.8	-168.2	-178.8	0	0	0	0	0	112.6	R109	G106-R109 WeakPolarHBondContact O-CD 3.27Å; G106-R109 VanDerWaalsContact O-CG 3.32Å; G106-R109 WeakPolarHBondContact O-CG 3.39Å
107	Y	92.1	Very high	97	Very high	177 Å²	177	47.6 Å²	47.6	69%	0.694	24%	0.235	S	C	*	.	S	Bend	trans	-142.1	146	-178.6	178.8	-87.8	0	0	0	109.3	Q99	Q99-Y107 HydrophobicContact CG-CE2 4.18Å; Q99-Y107 PolarHBondContact NE2-OH 3.27Å; Q99-Y107 PolarHBondContact OE1-OH 2.99Å
108	P	94.7	Very high	97.1	Very high	50 Å²	50	51 Å²	51	33%	0.325	25%	0.245	S	C	.	.	S	Bend	cis	-71.5	155.9	-8	32.3	-35.9	0	0	0	111.9	R100	R100-P108 HydrophobicContact CB-CB 4.26Å; R100-P108 HydrophobicContact CB-CG 4.19Å
109	R	97.5	Very high	97.2	Very high	19 Å²	19	44 Å²	44	7%	0.072	21%	0.208	C	C	.	.			trans	-162.9	156.6	169.9	62.4	178.9	-70.6	-102.6	-5.9	110.1	Q99 R100 P103 R104 G106 A111 D113 T132	Q99-R109 WeakPolarHBondContact CB-O 3.32Å; R100-R109 CarbonylContact O-C 3.52Å; R100-R109 VanDerWaalsContact O-C 3.26Å; R100-R109 WeakPolarHBondContact O-CA 3.35Å; R100-R109 PolarHBondContact O-N 3.47Å; P103-R109 WeakPolarHBondContact O-CB 3.4Å; P103-R109 VanDerWaalsContact O-CD 3.27Å; P103-R109 WeakPolarHBondContact O-CD 3.21Å; P103-R109 PolarHBondContact O-NE 3Å; R104-R109 PolarHBondContact O-NE 2.71Å; R104-R109 VanDerWaalsContact O-NE 3.08Å; G106-R109 WeakPolarHBondContact O-CD 3.27Å; G106-R109 VanDerWaalsContact O-CG 3.32Å; G106-R109 WeakPolarHBondContact O-CG 3.39Å; R109-A111 PolarHBondContact NH2-O 2.84Å; R109-D113 PolarHBondContact NH2-O 3.29Å; R109-T132 VanDerWaalsContact NH1-CG2 3.27Å
110	H	98.3	Very high	97.2	Very high	12 Å²	12	43.4 Å²	43.4	6%	0.056	21%	0.214	C	C	.	.			trans	-72.4	153.6	161.9	-49.3	146.9	0	0	0	110.5	H93 N95 Q99 H101 G112 D113 T166	H93-H110 HydrophobicContact CB-CB 4.4Å; H93-H110 VanDerWaalsContact CB-ND1 3.34Å; H93-H110 WeakPolarHBondContact CB-ND1 3.39Å; H93-H110 AromaticContact CG-ND1 3.71Å; H93-H110 AromaticContact ND1-ND1 3.43Å; H93-H110 PolarHBondContact ND1-ND1 3.43Å; N95-H110 HydrophobicContact CB-CB 4.1Å; N95-H110 PolarHBondContact ND2-CD2 2.81Å; N95-H110 PolarHBondContact ND2-NE2 3.32Å; N95-H110 PolarHBondContact OD1-CD2 2.75Å; Q99-H110 PolarHBondContact O-CD2 3.2Å; Q99-H110 PolarHBondContact O-NE2 3.38Å; Q99-H110 VanDerWaalsContact O-NE2 3.13Å; H101-H110 PolarHBondContact N-NE2 3.43Å; H110-G112 PolarHBondContact O-N 3.17Å; H110-D113 HydrophobicContact CB-CB 4.45Å; H110-D113 VanDerWaalsContact CB-CG 3.5Å; H110-D113 WeakPolarHBondContact CB-OD1 3.4Å; H110-D113 WeakPolarHBondContact CB-OD2 3.26Å; H110-D113 IonicContact CG-OD1 2.86Å; H110-D113 IonicContact CG-OD2 2.99Å; H110-D113 PolarHBondContact N-OD2 3.13Å; H110-D113 IonicContact ND1-OD1 3.59Å; H110-D113 PolarHBondContact ND1-OD1 2.99Å; H110-D113 VanDerWaalsContact ND1-OD1 3.09Å; H110-D113 IonicContact ND1-OD2 3.39Å; H110-D113 PolarHBondContact ND1-OD2 2.86Å; H110-D113 PolarHBondContact O-N 2.8Å; H110-T166 PolarHBondContact CE1-O 3.38Å
111	A	97.5	Very high	97.2	Very high	6 Å²	6	47.7 Å²	47.7	5%	0.05	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-36.8	171.9	0	0	0	0	0	111.8	F94 P96 R109 L136	F94-A111 HydrophobicContact CD1-CB 3.82Å; F94-A111 HydrophobicContact CE1-CB 3.87Å; F94-A111 PolarHBondContact O-N 2.89Å; P96-A111 HydrophobicContact CG-CB 3.9Å; R109-A111 PolarHBondContact NH2-O 2.84Å; A111-L136 HydrophobicContact CB-CD1 4.03Å; A111-L136 HydrophobicContact CB-CD2 3.72Å; A111-L136 HydrophobicContact CB-CG 4.47Å
112	G	98.5	Very high	97.1	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-1	179.2	0	0	0	0	0	116.2	H76 V77 F94 H110 L114	H76-G112 CarbonylContact C-O 3.59Å; H76-G112 VanDerWaalsContact CA-O 3.26Å; H76-G112 WeakPolarHBondContact CA-O 3.41Å; V77-G112 PolarHBondContact N-O 3.44Å; F94-G112 PolarHBondContact O-N 3.02Å; H110-G112 PolarHBondContact O-N 3.17Å; G112-L114 PolarHBondContact O-N 3.33Å
113	D	98.7	Very high	97.1	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	111.9	-178.9	-67.3	-23	0	0	0	110.9	H76 H93 H101 G102 R104 R109 H110	H76-D113 IonicContact CD2-OD1 3.43Å; H93-D113 IonicContact CE1-OD1 3.83Å; H93-D113 IonicContact CG-OD1 3.86Å; H93-D113 IonicContact ND1-OD1 3.75Å; H93-D113 PolarHBondContact ND1-OD1 3.23Å; H101-D113 WeakPolarHBondContact CA-OD2 3.31Å; H101-D113 VanDerWaalsContact CE1-CG 3.49Å; H101-D113 IonicContact CE1-OD1 3.43Å; H101-D113 PolarHBondContact CE1-OD1 3.44Å; H101-D113 IonicContact CE1-OD2 3.61Å; H101-D113 IonicContact CG-OD2 3.09Å; H101-D113 IonicContact ND1-OD1 2.84Å; H101-D113 PolarHBondContact ND1-OD1 3.46Å; H101-D113 IonicContact ND1-OD2 3.68Å; H101-D113 PolarHBondContact ND1-OD2 3.09Å; G102-D113 PolarHBondContact N-OD2 3.48Å; G102-D113 WeakPolarHBondContact O-CB 3.23Å; R104-D113 WeakPolarHBondContact CA-O 3.36Å; R109-D113 PolarHBondContact NH2-O 3.29Å; H110-D113 HydrophobicContact CB-CB 4.45Å; H110-D113 VanDerWaalsContact CB-CG 3.5Å; H110-D113 WeakPolarHBondContact CB-OD1 3.4Å; H110-D113 WeakPolarHBondContact CB-OD2 3.26Å; H110-D113 IonicContact CG-OD1 2.86Å; H110-D113 IonicContact CG-OD2 2.99Å; H110-D113 PolarHBondContact N-OD2 3.13Å; H110-D113 IonicContact ND1-OD1 3.59Å; H110-D113 PolarHBondContact ND1-OD1 2.99Å; H110-D113 VanDerWaalsContact ND1-OD1 3.09Å; H110-D113 IonicContact ND1-OD2 3.39Å; H110-D113 PolarHBondContact ND1-OD2 2.86Å; H110-D113 PolarHBondContact O-N 2.8Å
114	L	98.7	Very high	97.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	-7.7	178.3	-46.8	179.2	0	0	0	112.7	T75 V77 R104 G112 F129 V131 L147	T75-L114 HydrophobicContact CG2-CD1 4.41Å; T75-L114 WeakPolarHBondContact O-CA 3.38Å; T75-L114 VanDerWaalsContact O-CB 3.24Å; T75-L114 WeakPolarHBondContact O-CB 3.28Å; T75-L114 PolarHBondContact O-N 2.84Å; V77-L114 HydrophobicContact CG2-CD1 4.04Å; V77-L114 HydrophobicContact CG2-CD2 4.49Å; V77-L114 HydrophobicContact CG2-CG 4.42Å; R104-L114 WeakPolarHBondContact CB-O 3.39Å; R104-L114 WeakPolarHBondContact CD-O 3.39Å; G112-L114 PolarHBondContact O-N 3.33Å; L114-F129 HydrophobicContact CB-CE2 4.16Å; L114-F129 HydrophobicContact CB-CZ 4.1Å; L114-F129 HydrophobicContact CD1-CE2 4.47Å; L114-F129 HydrophobicContact CD1-CZ 4.3Å; L114-F129 HydrophobicContact CD2-CE2 4.38Å; L114-V131 HydrophobicContact CD2-CB 4.2Å; L114-V131 HydrophobicContact CD2-CG1 4.06Å; L114-V131 HydrophobicContact CD2-CG2 4.05Å; L114-L147 HydrophobicContact CD1-CD1 3.6Å
115	G	98.4	Very high	97.2	Very high	2 Å²	2	48.6 Å²	48.6	2%	0.021	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	78	-144.3	-179.6	0	0	0	0	0	112.3	T75 D154	T75-G115 PolarHBondContact N-O 3.27Å; T75-G115 PolarHBondContact O-N 3.43Å; G115-D154 WeakPolarHBondContact CA-OD2 3.34Å
116	N	98.6	Very high	97.4	Very high	33 Å²	33	52 Å²	52	18%	0.176	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	139.2	-178.3	-69.1	-77.1	0	0	0	112.5	L72 L73 R153 D154	L72-N116 HydrophobicContact CB-CB 4.29Å; L72-N116 HydrophobicContact CD2-CB 4.44Å; L73-N116 WeakPolarHBondContact O-CA 3.28Å; N116-R153 WeakPolarHBondContact OD1-CA 3.34Å; N116-R153 WeakPolarHBondContact OD1-CG 3.27Å; N116-D154 PolarHBondContact ND2-O 2.62Å; N116-D154 PolarHBondContact OD1-N 3.07Å
117	I	98.4	Very high	97.8	Very high	6 Å²	6	49.6 Å²	49.6	3%	0.031	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	142.6	162	56.1	98.2	0	0	0	110.3	L67 L72 L73 T75 V119 A125 F127 F129 I149	L67-I117 HydrophobicContact CD1-CD1 4.27Å; L72-I117 WeakPolarHBondContact CA-O 3.3Å; L73-I117 HydrophobicContact CB-CD1 3.98Å; L73-I117 HydrophobicContact CB-CG1 4.31Å; L73-I117 HydrophobicContact CD1-CD1 4.35Å; L73-I117 PolarHBondContact N-O 3.45Å; L73-I117 PolarHBondContact O-N 3.14Å; T75-I117 WeakPolarHBondContact OG1-CG1 3.46Å; I117-V119 HydrophobicContact CD1-CG2 4.26Å; I117-A125 HydrophobicContact CD1-CB 3.31Å; I117-A125 HydrophobicContact CG1-CB 4.46Å; I117-F127 HydrophobicContact CG1-CZ 4.23Å; I117-F127 HydrophobicContact CG2-CD1 3.95Å; I117-F127 HydrophobicContact CG2-CE1 3.66Å; I117-F127 HydrophobicContact CG2-CZ 3.98Å; I117-F129 HydrophobicContact CG2-CE1 4.12Å; I117-I149 HydrophobicContact CD1-CG2 4.24Å
118	R	98.5	Very high	98.1	Very high	163 Å²	163	46.7 Å²	46.7	62%	0.615	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.4	125.4	179.4	179.6	172.7	-73	-82.6	3.6	110.1	L72 A125	L72-R118 HydrophobicContact CD2-CB 3.88Å; L72-R118 HydrophobicContact CD2-CG 4.3Å; R118-A125 WeakPolarHBondContact O-CA 3.42Å
119	V	98.7	Very high	98.3	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.012	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-90.4	123.5	172	-165.6	0	0	0	0	109.1	L67 P68 G70 K71 L73 I117 A125	L67-V119 HydrophobicContact CB-CG1 3.77Å; L67-V119 HydrophobicContact CB-CG2 4Å; L67-V119 HydrophobicContact CD1-CG2 4.28Å; P68-V119 WeakPolarHBondContact O-CB 3.38Å; P68-V119 WeakPolarHBondContact O-CG1 3.44Å; G70-V119 WeakPolarHBondContact CA-O 3.33Å; G70-V119 PolarHBondContact N-O 2.84Å; G70-V119 VanDerWaalsContact N-O 3.13Å; K71-V119 PolarHBondContact O-N 2.96Å; L73-V119 HydrophobicContact CD1-CG2 3.46Å; L73-V119 VanDerWaalsContact CD1-CG2 3.46Å; L73-V119 HydrophobicContact CG-CG2 3.77Å; I117-V119 HydrophobicContact CD1-CG2 4.26Å; V119-A125 HydrophobicContact CG2-CB 4.25Å
120	G	98.2	Very high	98.3	Very high	34 Å²	34	49.1 Å²	49.1	35%	0.351	25%	0.245	S	C	.	.			trans	-68.1	174.3	174.2	0	0	0	0	0	112.8	P69 G70 G122 G123 V124	P69-G120 WeakPolarHBondContact CA-O 3.5Å; G70-G120 PolarHBondContact N-O 2.88Å; G120-G122 PolarHBondContact O-N 3.25Å; G120-G123 PolarHBondContact O-N 3.49Å; G120-G123 VanDerWaalsContact O-N 3.09Å; G120-V124 PolarHBondContact N-O 2.81Å
121	R	96.4	Very high	98.2	Very high	239 Å²	239	48.5 Å²	48.5	90%	0.902	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-24.5	178.8	-69	-169.1	-64	-92.8	0.8	113.9	P69 G123	P69-R121 WeakPolarHBondContact CB-O 3.32Å; R121-G123 VanDerWaalsContact C-N 3.26Å; R121-G123 PolarHBondContact O-N 2.98Å
122	G	97.5	Very high	98.1	Very high	70 Å²	70	50.5 Å²	50.5	72%	0.722	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	11	174.7	0	0	0	0	0	114.7	G120 V124	G120-G122 PolarHBondContact O-N 3.25Å; G122-V124 PolarHBondContact O-N 3.2Å
123	G	98.3	Very high	97.9	Very high	5 Å²	5	50.8 Å²	50.8	5%	0.052	26%	0.255	C	S	.	.	S	Bend	trans	71.4	17.8	-177.9	0	0	0	0	0	114.5	A65 G66 L67 G120 R121	A65-G123 CarbonylContact C-O 3.52Å; A65-G123 WeakPolarHBondContact CA-O 3.42Å; G66-G123 PolarHBondContact N-O 3.21Å; G66-G123 VanDerWaalsContact N-O 3.08Å; L67-G123 PolarHBondContact N-O 3.45Å; L67-G123 WeakPolarHBondContact O-CA 3.36Å; G120-G123 PolarHBondContact O-N 3.49Å; G120-G123 VanDerWaalsContact O-N 3.09Å; R121-G123 VanDerWaalsContact C-N 3.26Å; R121-G123 PolarHBondContact O-N 2.98Å
124	V	98.7	Very high	97.5	Very high	54 Å²	54	57.7 Å²	57.7	33%	0.327	29%	0.286	S	S	.	.			trans	-106.4	123.8	178.7	-176	0	0	0	0	109.7	V64 A65 G120 G122	V64-V124 WeakPolarHBondContact O-CA 3.08Å; A65-V124 HydrophobicContact CB-CG2 3.98Å; G120-V124 PolarHBondContact N-O 2.81Å; G122-V124 PolarHBondContact O-N 3.2Å
125	A	98.6	Very high	97.2	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	136.7	167.5	0	0	0	0	0	110.8	S63 V64 L67 I117 R118 V119	S63-A125 CarbonylContact C-O 3.54Å; S63-A125 WeakPolarHBondContact CA-O 3.38Å; S63-A125 VanDerWaalsContact CB-O 3.31Å; S63-A125 WeakPolarHBondContact CB-O 3.24Å; V64-A125 PolarHBondContact N-O 3.32Å; V64-A125 PolarHBondContact O-N 3.02Å; L67-A125 HydrophobicContact CD1-CB 3.58Å; I117-A125 HydrophobicContact CD1-CB 3.31Å; I117-A125 HydrophobicContact CG1-CB 4.46Å; R118-A125 WeakPolarHBondContact O-CA 3.42Å; V119-A125 HydrophobicContact CG2-CB 4.25Å
126	K	98.2	Very high	97	Very high	164 Å²	164	59.9 Å²	59.9	71%	0.713	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.4	133.5	173.1	-66.4	-173.6	177.5	-174	0	109.9	G62	G62-K126 WeakPolarHBondContact O-CA 3.49Å
127	F	98.7	Very high	96.6	Very high	5 Å²	5	60.1 Å²	60.1	2%	0.022	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	129.5	170.9	-66.8	-107.9	0	0	0	107.2	V49 V60 N61 G62 V64 T75 I117 F129 L147 I149	V49-F127 HydrophobicContact CG1-CB 4.28Å; V49-F127 HydrophobicContact CG1-CD1 3.94Å; V49-F127 HydrophobicContact CG1-CE1 4.42Å; V49-F127 HydrophobicContact CG1-CG 4.03Å; V49-F127 HydrophobicContact CG2-CD1 4.19Å; V49-F127 HydrophobicContact CG2-CD2 3.61Å; V49-F127 HydrophobicContact CG2-CE1 4.2Å; V49-F127 HydrophobicContact CG2-CE2 3.65Å; V49-F127 HydrophobicContact CG2-CG 3.91Å; V49-F127 HydrophobicContact CG2-CZ 3.96Å; V60-F127 HydrophobicContact CG1-CB 4.46Å; V60-F127 HydrophobicContact CG1-CD1 4.1Å; N61-F127 CarbonylContact C-O 3.56Å; N61-F127 VanDerWaalsContact CA-O 3.23Å; N61-F127 WeakPolarHBondContact CA-O 3.4Å; G62-F127 PolarHBondContact N-O 3.36Å; G62-F127 PolarHBondContact O-N 3.3Å; V64-F127 HydrophobicContact CG2-CE2 3.98Å; T75-F127 HydrophobicContact CG2-CE1 3.82Å; T75-F127 HydrophobicContact CG2-CZ 4.13Å; I117-F127 HydrophobicContact CG1-CZ 4.23Å; I117-F127 HydrophobicContact CG2-CD1 3.95Å; I117-F127 HydrophobicContact CG2-CE1 3.66Å; I117-F127 HydrophobicContact CG2-CZ 3.98Å; F127-F129 HydrophobicContact CB-CE1 4.27Å; F127-F129 AromaticContact CD1-CE1 3.7Å; F127-F129 HydrophobicContact CD1-CE1 3.7Å; F127-F129 AromaticContact CD1-CZ 3.87Å; F127-F129 HydrophobicContact CD1-CZ 3.87Å; F127-F129 HydrophobicContact CG-CE1 4.38Å; F127-L147 HydrophobicContact CE1-CD2 4.19Å; F127-L147 HydrophobicContact CZ-CD2 4.34Å; F127-I149 HydrophobicContact CE2-CD1 4.43Å; F127-I149 HydrophobicContact CZ-CD1 4.03Å; F127-I149 HydrophobicContact CZ-CG1 4.42Å
128	D	98.4	Very high	96.3	Very high	117 Å²	117	63.6 Å²	63.6	63%	0.626	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-166	83.8	175.8	-177.8	15.5	0	0	0	108	Y59 V60	Y59-D128 VanDerWaalsContact CE2-OD1 3.32Å; Y59-D128 WeakPolarHBondContact CE2-OD1 3.47Å; Y59-D128 PolarHBondContact OH-OD1 3.45Å; Y59-D128 VanDerWaalsContact OH-OD1 3.09Å; V60-D128 WeakPolarHBondContact O-CA 3.42Å; V60-D128 PolarHBondContact O-N 2.97Å
129	F	98.5	Very high	96	Very high	19 Å²	19	59.3 Å²	59.3	8%	0.083	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	167.2	-179.6	54.5	-99.3	0	0	0	112	Y59 V60 R104 L114 I117 F127	Y59-F129 WeakPolarHBondContact CD2-O 3.39Å; V60-F129 HydrophobicContact CB-CD2 4Å; V60-F129 HydrophobicContact CB-CE2 3.59Å; V60-F129 HydrophobicContact CB-CZ 3.96Å; V60-F129 HydrophobicContact CG1-CE2 3.98Å; V60-F129 HydrophobicContact CG1-CZ 3.86Å; V60-F129 HydrophobicContact CG2-CD2 4.35Å; V60-F129 HydrophobicContact CG2-CE2 3.87Å; V60-F129 PolarHBondContact N-O 3.2Å; V60-F129 PolarHBondContact O-N 2.78Å; V60-F129 VanDerWaalsContact O-N 3.07Å; R104-F129 VanDerWaalsContact CD-CD2 3.45Å; L114-F129 HydrophobicContact CB-CE2 4.16Å; L114-F129 HydrophobicContact CB-CZ 4.1Å; L114-F129 HydrophobicContact CD1-CE2 4.47Å; L114-F129 HydrophobicContact CD1-CZ 4.3Å; L114-F129 HydrophobicContact CD2-CE2 4.38Å; I117-F129 HydrophobicContact CG2-CE1 4.12Å; F127-F129 HydrophobicContact CB-CE1 4.27Å; F127-F129 AromaticContact CD1-CE1 3.7Å; F127-F129 HydrophobicContact CD1-CE1 3.7Å; F127-F129 AromaticContact CD1-CZ 3.87Å; F127-F129 HydrophobicContact CD1-CZ 3.87Å; F127-F129 HydrophobicContact CG-CE1 4.38Å
130	Y	98.1	Very high	95.7	Very high	100 Å²	100	62.8 Å²	62.8	39%	0.392	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	152	170	-68.6	-90.6	0	0	0	111	H54 M58 Y59 R104 H105	H54-Y130 HydrophobicContact CB-CE1 4.21Å; H54-Y130 AromaticContact ND1-CE1 3.54Å; H54-Y130 AromaticContact ND1-CZ 3.92Å; H54-Y130 PolarHBondContact ND1-OH 2.82Å; M58-Y130 CarbonylContact O-C 3.52Å; M58-Y130 WeakPolarHBondContact O-CA 3.48Å; Y59-Y130 HydrophobicContact CD2-CD1 4.3Å; Y59-Y130 HydrophobicContact CD2-CD2 4.27Å; Y59-Y130 AromaticContact CD2-CE1 3.93Å; Y59-Y130 HydrophobicContact CD2-CE1 3.93Å; Y59-Y130 AromaticContact CD2-CE2 3.87Å; Y59-Y130 HydrophobicContact CD2-CE2 3.87Å; Y59-Y130 HydrophobicContact CD2-CG 4.47Å; Y59-Y130 AromaticContact CD2-CZ 3.69Å; Y59-Y130 HydrophobicContact CE2-CE2 4.33Å; Y59-Y130 AromaticContact CG-CE1 4Å; Y59-Y130 HydrophobicContact CG-CE1 4Å; R104-Y130 WeakPolarHBondContact CD-O 3.32Å; H105-Y130 PolarHBondContact CE1-O 3.43Å; H105-Y130 PolarHBondContact NE2-O 3.38Å
131	V	97.4	Very high	95.5	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	141.5	167.2	62.3	0	0	0	0	109.3	Y57 M58 V60 R104 L114 F142	Y57-V131 CarbonylContact C-O 3.54Å; Y57-V131 WeakPolarHBondContact CA-O 3.47Å; M58-V131 HydrophobicContact CB-CG1 3.82Å; M58-V131 PolarHBondContact N-O 3.3Å; M58-V131 PolarHBondContact O-N 2.8Å; V60-V131 HydrophobicContact CG2-CG1 4.14Å; R104-V131 HydrophobicContact CG-CB 4.27Å; R104-V131 HydrophobicContact CG-CG2 4.18Å; L114-V131 HydrophobicContact CD2-CB 4.2Å; L114-V131 HydrophobicContact CD2-CG1 4.06Å; L114-V131 HydrophobicContact CD2-CG2 4.05Å; V131-F142 HydrophobicContact CG1-CE2 3.86Å; V131-F142 HydrophobicContact CG1-CZ 4.16Å
132	T	94.6	Very high	95.5	Very high	48 Å²	48	50 Å²	50	29%	0.294	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	134.2	177.4	-175	0	0	0	0	110.3	R109	R109-T132 VanDerWaalsContact NH1-CG2 3.27Å
133	I	93.6	Very high	95.5	Very high	5 Å²	5	48.2 Å²	48.2	3%	0.026	26%	0.261	C	S	.	.			trans	-122.4	15.1	175.4	61.4	174.6	0	0	0	111.6	F33 Q53 D56 M58 G135 L136 F142	F33-I133 HydrophobicContact CD2-CD1 3.58Å; F33-I133 HydrophobicContact CE2-CD1 3.48Å; F33-I133 VanDerWaalsContact CE2-CD1 3.48Å; F33-I133 HydrophobicContact CE2-CG1 4.28Å; Q53-I133 HydrophobicContact CB-CD1 4.21Å; Q53-I133 HydrophobicContact CG-CD1 3.65Å; D56-I133 WeakPolarHBondContact O-CG1 3.42Å; D56-I133 PolarHBondContact O-N 3.13Å; M58-I133 HydrophobicContact CB-CD1 4.11Å; M58-I133 HydrophobicContact CB-CG2 3.54Å; M58-I133 HydrophobicContact CE-CD1 4Å; I133-G135 PolarHBondContact O-N 2.94Å; I133-L136 HydrophobicContact CB-CB 4.32Å; I133-L136 HydrophobicContact CB-CD1 3.86Å; I133-L136 HydrophobicContact CB-CG 4.32Å; I133-L136 HydrophobicContact CG2-CD1 3.88Å; I133-L136 VanDerWaalsContact O-CB 3.28Å; I133-L136 WeakPolarHBondContact O-CB 3.44Å; I133-L136 PolarHBondContact O-N 2.85Å; I133-F142 HydrophobicContact CG2-CE2 4.09Å; I133-F142 HydrophobicContact CG2-CZ 4.18Å
134	K	91.3	Very high	95.5	Very high	146 Å²	146	50.2 Å²	50.2	64%	0.635	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	127.1	175.6	-173.8	173.4	-176.8	170.2	0	109.9	D56 L136	D56-K134 HydrophobicContact CB-CB 4.3Å; D56-K134 PolarHBondContact O-N 3.07Å; K134-L136 VanDerWaalsContact C-N 3.3Å; K134-L136 PolarHBondContact O-N 2.78Å
135	G	92.3	Very high	95.5	Very high	47 Å²	47	49 Å²	49	49%	0.485	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	-0.6	-176.8	0	0	0	0	0	115.1	I133 G137	I133-G135 PolarHBondContact O-N 2.94Å; G135-G137 VanDerWaalsContact C-N 3.29Å; G135-G137 PolarHBondContact O-N 2.86Å
136	L	93.2	Very high	95.5	Very high	1 Å²	1	49 Å²	49	1%	0.005	27%	0.271	C	S	.	.			trans	-85	3.3	176.2	-59.7	-175	0	0	0	114.5	F94 P96 F97 A111 I133 K134 F139 D140 G141 F142	F94-L136 HydrophobicContact CE1-CD1 4.27Å; F94-L136 HydrophobicContact CE1-CD2 3.93Å; F94-L136 HydrophobicContact CZ-CD2 4.23Å; P96-L136 HydrophobicContact CG-CD2 3.9Å; F97-L136 HydrophobicContact CE2-CD2 3.59Å; F97-L136 HydrophobicContact CZ-CD2 3.68Å; A111-L136 HydrophobicContact CB-CD1 4.03Å; A111-L136 HydrophobicContact CB-CD2 3.72Å; A111-L136 HydrophobicContact CB-CG 4.47Å; I133-L136 HydrophobicContact CB-CB 4.32Å; I133-L136 HydrophobicContact CB-CD1 3.86Å; I133-L136 HydrophobicContact CB-CG 4.32Å; I133-L136 HydrophobicContact CG2-CD1 3.88Å; I133-L136 VanDerWaalsContact O-CB 3.28Å; I133-L136 WeakPolarHBondContact O-CB 3.44Å; I133-L136 PolarHBondContact O-N 2.85Å; K134-L136 VanDerWaalsContact C-N 3.3Å; K134-L136 PolarHBondContact O-N 2.78Å; L136-F139 HydrophobicContact CD2-CD2 4.24Å; L136-F139 CarbonylContact O-C 3.53Å; L136-F139 WeakPolarHBondContact O-CA 3.48Å; L136-F139 PolarHBondContact O-N 3.18Å; L136-D140 PolarHBondContact O-N 2.93Å; L136-G141 PolarHBondContact O-N 3.38Å; L136-F142 HydrophobicContact CD1-CE1 4.06Å; L136-F142 HydrophobicContact CD1-CZ 4.34Å
137	G	91.2	Very high	95.5	Very high	38 Å²	38	41.2 Å²	41.2	39%	0.392	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-46.7	-52.7	176.3	0	0	0	0	0	113.4	G135 F139 D140	G135-G137 VanDerWaalsContact C-N 3.29Å; G135-G137 PolarHBondContact O-N 2.86Å; G137-F139 PolarHBondContact O-N 3.09Å; G137-D140 PolarHBondContact O-N 3.42Å
138	P	92	Very high	95.6	Very high	79 Å²	79	41 Å²	41	51%	0.513	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-64.9	-5	178.8	-23.4	35.2	0	0	0	115.6
139	F	92.5	Very high	95.6	Very high	72 Å²	72	35.4 Å²	35.4	32%	0.316	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-120.9	12.6	-173.4	-57.7	-73.1	0	0	0	113.2	F94 P96 F97 L136 G137 G141 R145	F94-F139 HydrophobicContact CE2-CD1 4.45Å; F94-F139 HydrophobicContact CZ-CB 3.71Å; F94-F139 HydrophobicContact CZ-CD1 4.28Å; F94-F139 HydrophobicContact CZ-CD2 4.4Å; F94-F139 AromaticContact CZ-CG 3.89Å; F94-F139 HydrophobicContact CZ-CG 3.89Å; P96-F139 HydrophobicContact CB-CD1 4.3Å; P96-F139 HydrophobicContact CB-CD2 4.11Å; P96-F139 HydrophobicContact CB-CE1 3.89Å; P96-F139 HydrophobicContact CB-CE2 3.68Å; P96-F139 HydrophobicContact CB-CG 4.41Å; P96-F139 HydrophobicContact CB-CZ 3.55Å; P96-F139 HydrophobicContact CG-CD2 4.43Å; P96-F139 HydrophobicContact CG-CE2 4.3Å; F97-F139 HydrophobicContact CE1-CE2 4.14Å; F97-F139 HydrophobicContact CZ-CE2 4.44Å; L136-F139 HydrophobicContact CD2-CD2 4.24Å; L136-F139 CarbonylContact O-C 3.53Å; L136-F139 WeakPolarHBondContact O-CA 3.48Å; L136-F139 PolarHBondContact O-N 3.18Å; G137-F139 PolarHBondContact O-N 3.09Å; F139-G141 PolarHBondContact O-N 3.25Å; F139-R145 PolarHBondContact O-NH2 2.73Å
140	D	92.3	Very high	95.6	Very high	76 Å²	76	34.9 Å²	34.9	41%	0.406	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	35.5	-178.7	-61.6	-55.3	0	0	0	113.3	F33 L136 G137 F142 I143	F33-D140 VanDerWaalsContact CE1-C 3.45Å; L136-D140 PolarHBondContact O-N 2.93Å; G137-D140 PolarHBondContact O-N 3.42Å; D140-F142 PolarHBondContact O-N 2.85Å; D140-I143 HydrophobicContact CB-CB 4.16Å; D140-I143 PolarHBondContact O-N 2.94Å
141	G	93	Very high	95.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	-103.7	-174.7	0	0	0	0	0	111	F33 L136 F139	F33-G141 VanDerWaalsContact CZ-N 3.33Å; L136-G141 PolarHBondContact O-N 3.38Å; F139-G141 PolarHBondContact O-N 3.25Å
142	F	97.3	Very high	95.7	Very high	3 Å²	3	35.4 Å²	35.4	1%	0.013	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.9	6.3	178.9	-57.7	-49.4	0	0	0	114.3	F51 M58 V77 F94 V131 I133 L136 D140 G144 R145 I179	F51-F142 AromaticContact CD1-CD2 3.92Å; F51-F142 HydrophobicContact CD1-CD2 3.92Å; F51-F142 HydrophobicContact CE1-CD2 4.2Å; M58-F142 HydrophobicContact CB-CE2 4.34Å; M58-F142 HydrophobicContact CE-CD2 4.5Å; M58-F142 HydrophobicContact CG-CD2 4.33Å; M58-F142 HydrophobicContact CG-CE2 4.25Å; V77-F142 HydrophobicContact CB-CD1 4.04Å; V77-F142 HydrophobicContact CB-CE1 4.23Å; V77-F142 HydrophobicContact CG1-CB 4.22Å; V77-F142 HydrophobicContact CG1-CD1 3.73Å; V77-F142 HydrophobicContact CG1-CE1 4.39Å; V77-F142 HydrophobicContact CG1-CG 4.15Å; V77-F142 HydrophobicContact CG2-CD1 3.96Å; V77-F142 HydrophobicContact CG2-CD2 4.27Å; V77-F142 HydrophobicContact CG2-CE1 4.13Å; V77-F142 HydrophobicContact CG2-CE2 4.43Å; V77-F142 HydrophobicContact CG2-CG 4.04Å; V77-F142 HydrophobicContact CG2-CZ 4.35Å; F94-F142 HydrophobicContact CD1-CD1 4.04Å; F94-F142 HydrophobicContact CD1-CE1 4.04Å; F94-F142 HydrophobicContact CE1-CD1 4.39Å; F94-F142 HydrophobicContact CE1-CE1 4.43Å; V131-F142 HydrophobicContact CG1-CE2 3.86Å; V131-F142 HydrophobicContact CG1-CZ 4.16Å; I133-F142 HydrophobicContact CG2-CE2 4.09Å; I133-F142 HydrophobicContact CG2-CZ 4.18Å; L136-F142 HydrophobicContact CD1-CE1 4.06Å; L136-F142 HydrophobicContact CD1-CZ 4.34Å; D140-F142 PolarHBondContact O-N 2.85Å; F142-G144 PolarHBondContact O-N 2.85Å; F142-R145 VanDerWaalsContact O-CB 3.26Å; F142-R145 WeakPolarHBondContact O-CB 3.1Å; F142-R145 PolarHBondContact O-N 3.34Å; F142-I179 HydrophobicContact CB-CD1 3.82Å; F142-I179 HydrophobicContact CB-CG2 4.3Å; F142-I179 WeakPolarHBondContact O-CB 3.38Å; F142-I179 WeakPolarHBondContact O-CG2 3.31Å
143	I	97.5	Very high	95.9	Very high	34 Å²	34	40.6 Å²	40.6	17%	0.174	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	138.7	178.6	-66.1	-65.9	0	0	0	110.9	A36 D140 R145 F181	A36-I143 HydrophobicContact CB-CD1 3.43Å; A36-I143 VanDerWaalsContact CB-CD1 3.43Å; D140-I143 HydrophobicContact CB-CB 4.16Å; D140-I143 PolarHBondContact O-N 2.94Å; I143-R145 PolarHBondContact O-N 3.08Å; I143-F181 HydrophobicContact CD1-CD1 3.55Å; I143-F181 HydrophobicContact CD1-CE1 3.58Å; I143-F181 HydrophobicContact CD1-CG 4.15Å; I143-F181 HydrophobicContact CD1-CZ 4.19Å; I143-F181 HydrophobicContact CG1-CD1 4.23Å; I143-F181 HydrophobicContact CG1-CE1 3.71Å; I143-F181 HydrophobicContact CG1-CZ 4.08Å; I143-F181 HydrophobicContact CG2-CE1 4.25Å; I143-F181 HydrophobicContact CG2-CE2 3.95Å; I143-F181 HydrophobicContact CG2-CZ 3.79Å
144	G	98.2	Very high	96.1	Very high	46 Å²	46	40.4 Å²	40.4	47%	0.474	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	7.4	178.2	0	0	0	0	0	114.4	G81 F142 I179	G81-G144 VanDerWaalsContact CA-O 3.23Å; G81-G144 WeakPolarHBondContact CA-O 3.17Å; G81-G144 PolarHBondContact N-O 2.87Å; F142-G144 PolarHBondContact O-N 2.85Å; G144-I179 PolarHBondContact N-O 3.2Å
145	R	98.7	Very high	96.4	Very high	30 Å²	30	34.6 Å²	34.6	11%	0.113	21%	0.206	C	C	.	.			trans	-100.6	-179.1	176.7	-59.6	-169.7	-167.1	-64.7	-10.9	110.7	V77 H78 R79 F94 F139 F142 I143 T178 I179	V77-R145 HydrophobicContact CG1-CB 3.54Å; V77-R145 HydrophobicContact CG1-CG 4.26Å; H78-R145 VanDerWaalsContact O-CB 3.27Å; H78-R145 WeakPolarHBondContact O-CB 3.41Å; R79-R145 PolarHBondContact O-NH1 3.02Å; F94-R145 VanDerWaalsContact CE2-NH1 3.33Å; F94-R145 VanDerWaalsContact CZ-NH2 3.29Å; F139-R145 PolarHBondContact O-NH2 2.73Å; F142-R145 VanDerWaalsContact O-CB 3.26Å; F142-R145 WeakPolarHBondContact O-CB 3.1Å; F142-R145 PolarHBondContact O-N 3.34Å; I143-R145 PolarHBondContact O-N 3.08Å; R145-T178 CarbonylContact O-C 3.55Å; R145-T178 WeakPolarHBondContact O-CA 3.32Å; R145-I179 HydrophobicContact CB-CD1 4.4Å; R145-I179 PolarHBondContact O-N 3.38Å
146	A	98.8	Very high	96.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	136.5	174.3	0	0	0	0	0	111.3	V77 H78 Y80 L83 A90 V148 A177	V77-A146 CarbonylContact C-O 3.59Å; V77-A146 WeakPolarHBondContact CA-O 3.5Å; H78-A146 PolarHBondContact N-O 2.8Å; Y80-A146 VanDerWaalsContact O-CB 3.32Å; Y80-A146 WeakPolarHBondContact O-CB 3.11Å; Y80-A146 PolarHBondContact O-N 3.48Å; L83-A146 HydrophobicContact CD2-CB 3.73Å; A90-A146 HydrophobicContact CB-CB 3.77Å; A146-V148 HydrophobicContact CB-CG2 4.4Å; A146-A177 CarbonylContact C-O 3.56Å; A146-A177 VanDerWaalsContact CA-O 3.31Å; A146-A177 WeakPolarHBondContact CA-O 3.36Å
147	L	98.9	Very high	96.9	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	126.2	163.4	-178.4	66.2	0	0	0	107.9	A38 F40 V49 F51 T75 V77 L114 F127 C176 A177 I179	A38-L147 HydrophobicContact CB-CB 3.97Å; A38-L147 HydrophobicContact CB-CD2 4.18Å; F40-L147 HydrophobicContact CE2-CD2 3.98Å; F40-L147 HydrophobicContact CZ-CD2 4Å; F40-L147 HydrophobicContact CZ-CG 4.28Å; V49-L147 HydrophobicContact CB-CD2 3.79Å; V49-L147 HydrophobicContact CG1-CD2 3.97Å; V49-L147 HydrophobicContact CG2-CD2 3.73Å; F51-L147 HydrophobicContact CZ-CB 4.4Å; F51-L147 HydrophobicContact CZ-CD1 4.39Å; F51-L147 HydrophobicContact CZ-CD2 4.13Å; T75-L147 HydrophobicContact CG2-CD1 3.67Å; T75-L147 HydrophobicContact CG2-CG 4.36Å; V77-L147 HydrophobicContact CG2-CD1 4.47Å; L114-L147 HydrophobicContact CD1-CD1 3.6Å; F127-L147 HydrophobicContact CE1-CD2 4.19Å; F127-L147 HydrophobicContact CZ-CD2 4.34Å; L147-C176 CarbonylContact O-C 3.45Å; L147-C176 WeakPolarHBondContact O-CA 2.96Å; L147-A177 PolarHBondContact N-O 3.09Å; L147-A177 PolarHBondContact O-N 3.04Å; L147-I179 HydrophobicContact CB-CD1 4.29Å; L147-I179 HydrophobicContact CB-CG1 4.29Å
148	V	98.9	Very high	97.2	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	129.8	179.3	-177.4	0	0	0	0	109.5	T75 H76 H78 A90 A146 R173 A175 C176	T75-V148 WeakPolarHBondContact CA-O 3.48Å; H76-V148 PolarHBondContact N-O 3.44Å; H76-V148 PolarHBondContact O-N 3.02Å; H78-V148 HydrophobicContact CB-CG2 4.11Å; H78-V148 VanDerWaalsContact CD2-CB 3.4Å; H78-V148 WeakPolarHBondContact CD2-CB 3.45Å; H78-V148 WeakPolarHBondContact CD2-CG2 3.45Å; H78-V148 WeakPolarHBondContact NE2-CB 3.13Å; A90-V148 HydrophobicContact CB-CG2 4.27Å; A146-V148 HydrophobicContact CB-CG2 4.4Å; V148-R173 HydrophobicContact CG1-CB 3.86Å; V148-R173 HydrophobicContact CG1-CG 3.75Å; V148-A175 WeakPolarHBondContact CA-O 3.29Å; V148-C176 HydrophobicContact CG2-CB 3.92Å
149	I	98.9	Very high	97.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	122.8	171.8	-55.6	174.9	0	0	0	107.1	F40 V64 L67 L73 T75 I117 F127 L174 A175	F40-I149 HydrophobicContact CE1-CD1 4.33Å; F40-I149 HydrophobicContact CZ-CD1 4.17Å; F40-I149 HydrophobicContact CZ-CG1 4.46Å; V64-I149 HydrophobicContact CB-CD1 4.2Å; V64-I149 HydrophobicContact CG1-CD1 4.22Å; V64-I149 HydrophobicContact CG2-CD1 4.14Å; L67-I149 HydrophobicContact CD1-CD1 4.12Å; L67-I149 HydrophobicContact CD2-CD1 4.41Å; L67-I149 HydrophobicContact CD2-CG2 4.15Å; L73-I149 HydrophobicContact CB-CG2 3.84Å; L73-I149 HydrophobicContact CD1-CG2 3.73Å; L73-I149 HydrophobicContact CG-CG2 4.44Å; T75-I149 HydrophobicContact CG2-CG1 4.07Å; I117-I149 HydrophobicContact CD1-CG2 4.24Å; F127-I149 HydrophobicContact CE2-CD1 4.43Å; F127-I149 HydrophobicContact CZ-CD1 4.03Å; F127-I149 HydrophobicContact CZ-CG1 4.42Å; I149-L174 WeakPolarHBondContact O-CB 3.31Å; I149-L174 PolarHBondContact O-N 2.84Å; I149-A175 HydrophobicContact CB-CB 4.45Å; I149-A175 PolarHBondContact N-O 2.85Å; I149-A175 PolarHBondContact O-N 3.43Å
150	H	98.8	Very high	97.6	Very high	8 Å²	8	49.7 Å²	49.7	4%	0.037	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	166.3	-179.7	-61.8	-111.1	0	0	0	112.2	L73 G74 H76 H78 S170 G171 P172	L73-H150 WeakPolarHBondContact CB-O 3.44Å; L73-H150 WeakPolarHBondContact CD2-O 3.38Å; G74-H150 WeakPolarHBondContact O-CB 3.49Å; G74-H150 PolarHBondContact O-CD2 3.12Å; G74-H150 PolarHBondContact O-N 3.06Å; H76-H150 AromaticContact CE1-CD2 3.66Å; H76-H150 AromaticContact CE1-NE2 3.77Å; H76-H150 AromaticContact ND1-CD2 3.2Å; H76-H150 PolarHBondContact ND1-CD2 3.19Å; H76-H150 AromaticContact ND1-NE2 3.02Å; H76-H150 PolarHBondContact ND1-NE2 2.99Å; H78-H150 AromaticContact CE1-NE2 3.86Å; H78-H150 AromaticContact NE2-CE1 3.78Å; H78-H150 AromaticContact NE2-NE2 3.2Å; H78-H150 PolarHBondContact NE2-NE2 3.22Å; H78-H150 VanDerWaalsContact NE2-NE2 3.2Å; H150-S170 WeakPolarHBondContact CB-O 3.32Å; H150-G171 PolarHBondContact ND1-O 3.35Å; H150-P172 CarbonylContact C-O 3.48Å; H150-P172 VanDerWaalsContact CA-O 3.26Å; H150-P172 WeakPolarHBondContact CA-O 3.16Å
151	A	98.4	Very high	97.9	Very high	27 Å²	27	49.2 Å²	49.2	22%	0.223	24%	0.238	C	C	.	.	S	Bend	trans	-79.9	-27.8	-174.1	0	0	0	0	0	114.6	L73 P172 L174	L73-A151 VanDerWaalsContact CD2-O 3.27Å; L73-A151 WeakPolarHBondContact CD2-O 3.49Å; A151-P172 HydrophobicContact CB-CG 3.75Å; A151-P172 PolarHBondContact N-O 2.77Å; A151-L174 HydrophobicContact CB-CD1 4.08Å; A151-L174 HydrophobicContact CB-CD2 3.84Å; A151-L174 HydrophobicContact CB-CG 3.75Å
152	N	98.7	Very high	98.1	Very high	83 Å²	83	54.6 Å²	54.6	44%	0.444	26%	0.263	S	S	.	.	S	Bend	trans	-106.1	164.2	-177.6	-55.7	-22.1	0	0	0	111.1	G74 S170	G74-N152 PolarHBondContact N-O 3.44Å; N152-S170 WeakPolarHBondContact CA-O 3.48Å; N152-S170 VanDerWaalsContact CB-O 3.25Å; N152-S170 WeakPolarHBondContact CB-O 2.98Å; N152-S170 PolarHBondContact N-O 2.76Å
153	R	98.7	Very high	98.1	Very high	158 Å²	158	55.4 Å²	55.4	60%	0.596	27%	0.272	S	S	*	.			trans	-65.1	132.4	169.5	-179.4	-175.5	-179.8	179.3	0.9	109.5	L72 N116 D155	L72-R153 HydrophobicContact CB-CB 4.33Å; L72-R153 HydrophobicContact CB-CG 4.08Å; L72-R153 WeakPolarHBondContact O-CA 3.2Å; L72-R153 PolarHBondContact O-N 2.82Å; N116-R153 WeakPolarHBondContact OD1-CA 3.34Å; N116-R153 WeakPolarHBondContact OD1-CG 3.27Å; R153-D155 PolarHBondContact O-N 2.85Å
154	D	98.8	Very high	98.2	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.264	C	S	.	.			trans	-69.4	122.5	166.2	178.6	-4.5	0	0	0	109.8	H76 H101 G115 N116 L156 G168 S170	H76-D154 IonicContact NE2-OD2 3.99Å; H76-D154 PolarHBondContact NE2-OD2 3.23Å; H101-D154 IonicContact CD2-OD1 3.46Å; H101-D154 IonicContact CE1-OD1 3.44Å; H101-D154 IonicContact CE1-OD2 3.63Å; H101-D154 PolarHBondContact CE1-OD2 3.28Å; H101-D154 IonicContact NE2-OD1 3.69Å; H101-D154 PolarHBondContact NE2-OD1 3.23Å; H101-D154 IonicContact NE2-OD2 2.89Å; H101-D154 PolarHBondContact NE2-OD2 3.19Å; G115-D154 WeakPolarHBondContact CA-OD2 3.34Å; N116-D154 PolarHBondContact ND2-O 2.62Å; N116-D154 PolarHBondContact OD1-N 3.07Å; D154-L156 HydrophobicContact CB-CD2 4.41Å; D154-L156 PolarHBondContact O-N 3.21Å; D154-L156 WeakPolarHBondContact OD1-CA 3.42Å; D154-L156 PolarHBondContact OD1-N 2.95Å; D154-G168 CarbonylContact C-O 3.46Å; D154-G168 WeakPolarHBondContact CA-O 3.47Å; D154-G168 WeakPolarHBondContact OD1-CA 3.45Å; D154-S170 WeakPolarHBondContact CA-OG 3.38Å; D154-S170 WeakPolarHBondContact CB-OG 3.5Å
155	D	98.5	Very high	98.1	Very high	24 Å²	24	55 Å²	55	13%	0.128	25%	0.254	C	S	.	.			trans	-80	-1.6	177.5	72.9	23	0	0	0	114.6	R153 G157 R158 N159 S164 G168 N169	R153-D155 PolarHBondContact O-N 2.85Å; D155-G157 VanDerWaalsContact C-N 3.29Å; D155-G157 PolarHBondContact O-N 3.29Å; D155-G157 PolarHBondContact OD1-N 3.31Å; D155-R158 WeakPolarHBondContact O-CB 3.38Å; D155-R158 WeakPolarHBondContact O-CG 3.13Å; D155-R158 PolarHBondContact O-N 2.73Å; D155-N159 WeakPolarHBondContact CB-ND2 3.47Å; D155-N159 PolarHBondContact OD2-ND2 2.83Å; D155-S164 WeakPolarHBondContact OD1-CB 3.36Å; D155-S164 PolarHBondContact OD1-OG 2.82Å; D155-S164 VanDerWaalsContact OD2-CB 3.27Å; D155-S164 WeakPolarHBondContact OD2-CB 3.33Å; D155-S164 PolarHBondContact OD2-OG 3.38Å; D155-S164 VanDerWaalsContact OD2-OG 3.07Å; D155-G168 VanDerWaalsContact CG-O 3.28Å; D155-G168 PolarHBondContact N-O 3.43Å; D155-G168 WeakPolarHBondContact OD1-CA 3.41Å; D155-N169 WeakPolarHBondContact OD2-CB 3.47Å; D155-N169 PolarHBondContact OD2-ND2 3.09Å
156	L	98.2	Very high	98.1	Very high	30 Å²	30	56.4 Å²	56.4	16%	0.157	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	26.5	174.6	-46.4	173.7	0	0	0	113.6	P103 D154 R158	P103-L156 HydrophobicContact CB-CB 4.23Å; P103-L156 HydrophobicContact CB-CD1 4.48Å; P103-L156 HydrophobicContact CB-CD2 4.44Å; P103-L156 WeakPolarHBondContact CD-O 3.25Å; D154-L156 HydrophobicContact CB-CD2 4.41Å; D154-L156 PolarHBondContact O-N 3.21Å; D154-L156 WeakPolarHBondContact OD1-CA 3.42Å; D154-L156 PolarHBondContact OD1-N 2.95Å; L156-R158 HydrophobicContact CB-CG 4.24Å; L156-R158 PolarHBondContact O-N 3.13Å
157	G	97.8	Very high	98.1	Very high	26 Å²	26	59 Å²	59	27%	0.268	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.7	18.2	-179.4	0	0	0	0	0	113.7	H101 D155 S164	H101-G157 PolarHBondContact CD2-N 2.85Å; D155-G157 VanDerWaalsContact C-N 3.29Å; D155-G157 PolarHBondContact O-N 3.29Å; D155-G157 PolarHBondContact OD1-N 3.31Å; G157-S164 WeakPolarHBondContact CA-O 3.41Å; G157-S164 WeakPolarHBondContact CA-OG 3.33Å
158	R	97.1	Very high	98.1	Very high	186 Å²	186	59 Å²	59	70%	0.702	28%	0.282	S	S	*	.			trans	-89.2	-16.1	-172.3	-65.3	177.2	173.9	-175.7	-3.3	113.8	D155 L156 S164	D155-R158 WeakPolarHBondContact O-CB 3.38Å; D155-R158 WeakPolarHBondContact O-CG 3.13Å; D155-R158 PolarHBondContact O-N 2.73Å; L156-R158 HydrophobicContact CB-CG 4.24Å; L156-R158 PolarHBondContact O-N 3.13Å; R158-S164 PolarHBondContact N-OG 3.5Å
159	N	97.6	Very high	98.1	Very high	82 Å²	82	61.8 Å²	61.8	44%	0.439	30%	0.297	S	S	.	.	S	Bend	trans	-87.3	162.5	179.1	-63	-32.5	0	0	0	110.5	D155 D161 S164	D155-N159 WeakPolarHBondContact CB-ND2 3.47Å; D155-N159 PolarHBondContact OD2-ND2 2.83Å; N159-D161 WeakPolarHBondContact CB-OD2 3.25Å; N159-S164 PolarHBondContact N-OG 2.83Å
160	R	95.5	Very high	98	Very high	230 Å²	230	61.8 Å²	61.8	87%	0.868	30%	0.297	S	S	*	.	S	Bend	trans	-87.7	-4.7	-172.8	-67.3	-173	177	-161.2	0.1	114	R165	R160-R165 PolarHBondContact O-NH1 2.63Å; R160-R165 PolarHBondContact O-NH2 3.17Å
161	D	97.7	Very high	98	Very high	66 Å²	66	63 Å²	63	35%	0.353	31%	0.311	S	S	.	.	S	Bend	trans	-83.7	163.8	178.7	66.7	94.1	0	0	0	112.5	N159 G163 S164 R165 N169	N159-D161 WeakPolarHBondContact CB-OD2 3.25Å; D161-G163 WeakPolarHBondContact OD1-CA 3.27Å; D161-G163 PolarHBondContact OD1-N 3.29Å; D161-S164 PolarHBondContact O-N 3.11Å; D161-S164 PolarHBondContact OD1-N 2.8Å; D161-R165 PolarHBondContact O-N 3.35Å; D161-N169 PolarHBondContact OD1-ND2 3.09Å; D161-N169 PolarHBondContact OD1-OD1 3.45Å; D161-N169 PolarHBondContact OD2-ND2 2.93Å
162	E	97.8	Very high	98	Very high	113 Å²	113	66 Å²	66	53%	0.528	33%	0.328	S	S	.	.	H	α-helix	trans	-73	-29.4	-177.1	-167.8	56.1	-155.5	0	0	113	S164 R165 T166	E162-S164 VanDerWaalsContact C-N 3.3Å; E162-S164 PolarHBondContact O-N 3.26Å; E162-R165 PolarHBondContact O-N 3.21Å; E162-R165 IonicContact OE2-NH1 3.38Å; E162-R165 PolarHBondContact OE2-NH1 3.04Å; E162-T166 HydrophobicContact CG-CG2 4.23Å; E162-T166 WeakPolarHBondContact O-CB 3.43Å; E162-T166 WeakPolarHBondContact O-CG2 3.26Å; E162-T166 PolarHBondContact O-N 3.12Å; E162-T166 VanDerWaalsContact O-N 3.09Å; E162-T166 PolarHBondContact O-OG1 2.91Å; E162-T166 WeakPolarHBondContact OE1-CG2 3.26Å
163	G	97.8	Very high	98	Very high	20 Å²	20	64.9 Å²	64.9	21%	0.206	32%	0.318	C	S	.	.	H	α-helix	trans	-62.8	-38.4	175.8	0	0	0	0	0	112	D161 T166 T167 G168 N169	D161-G163 WeakPolarHBondContact OD1-CA 3.27Å; D161-G163 PolarHBondContact OD1-N 3.29Å; G163-T166 WeakPolarHBondContact CA-OG1 3.43Å; G163-T166 PolarHBondContact O-N 3.11Å; G163-T166 PolarHBondContact O-OG1 3.26Å; G163-T167 PolarHBondContact O-N 2.87Å; G163-T167 PolarHBondContact O-OG1 3.34Å; G163-G168 PolarHBondContact O-N 2.86Å; G163-G168 VanDerWaalsContact O-N 3.13Å; G163-N169 VanDerWaalsContact C-OD1 3.31Å; G163-N169 WeakPolarHBondContact CA-OD1 3.47Å; G163-N169 PolarHBondContact O-N 2.95Å
164	S	98.1	Very high	97.9	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-61.7	-46.3	173.2	-171.7	0	0	0	0	111.4	H101 D155 G157 R158 N159 D161 E162 T166 G168 N169	H101-S164 PolarHBondContact CD2-O 3.2Å; H101-S164 VanDerWaalsContact CD2-O 3.23Å; D155-S164 WeakPolarHBondContact OD1-CB 3.36Å; D155-S164 PolarHBondContact OD1-OG 2.82Å; D155-S164 VanDerWaalsContact OD2-CB 3.27Å; D155-S164 WeakPolarHBondContact OD2-CB 3.33Å; D155-S164 PolarHBondContact OD2-OG 3.38Å; D155-S164 VanDerWaalsContact OD2-OG 3.07Å; G157-S164 WeakPolarHBondContact CA-O 3.41Å; G157-S164 WeakPolarHBondContact CA-OG 3.33Å; R158-S164 PolarHBondContact N-OG 3.5Å; N159-S164 PolarHBondContact N-OG 2.83Å; D161-S164 PolarHBondContact O-N 3.11Å; D161-S164 PolarHBondContact OD1-N 2.8Å; E162-S164 VanDerWaalsContact C-N 3.3Å; E162-S164 PolarHBondContact O-N 3.26Å; S164-T166 VanDerWaalsContact C-N 3.26Å; S164-T166 PolarHBondContact O-N 3.42Å; S164-G168 PolarHBondContact O-N 2.82Å; S164-N169 PolarHBondContact N-ND2 2.79Å; S164-N169 VanDerWaalsContact N-ND2 3.19Å
165	R	97.4	Very high	97.9	Very high	72 Å²	72	59.6 Å²	59.6	27%	0.272	30%	0.302	S	S	.	.	H	α-helix	trans	-70.4	-16.7	-179.3	-64.4	-175.4	-172	110.7	11.9	114.7	H101 R160 D161 E162	H101-R165 VanDerWaalsContact CB-O 3.26Å; H101-R165 WeakPolarHBondContact CB-O 3.13Å; H101-R165 PolarHBondContact N-O 3.19Å; R160-R165 PolarHBondContact O-NH1 2.63Å; R160-R165 PolarHBondContact O-NH2 3.17Å; D161-R165 PolarHBondContact O-N 3.35Å; E162-R165 PolarHBondContact O-N 3.21Å; E162-R165 IonicContact OE2-NH1 3.38Å; E162-R165 PolarHBondContact OE2-NH1 3.04Å
166	T	98.1	Very high	97.9	Very high	59 Å²	59	59.5 Å²	59.5	36%	0.362	30%	0.303	S	S	.	.	H	α-helix	trans	-113.1	-34.5	-173.7	52.5	0	0	0	0	113.7	H110 E162 G163 S164	H110-T166 PolarHBondContact CE1-O 3.38Å; E162-T166 HydrophobicContact CG-CG2 4.23Å; E162-T166 WeakPolarHBondContact O-CB 3.43Å; E162-T166 WeakPolarHBondContact O-CG2 3.26Å; E162-T166 PolarHBondContact O-N 3.12Å; E162-T166 VanDerWaalsContact O-N 3.09Å; E162-T166 PolarHBondContact O-OG1 2.91Å; E162-T166 WeakPolarHBondContact OE1-CG2 3.26Å; G163-T166 WeakPolarHBondContact CA-OG1 3.43Å; G163-T166 PolarHBondContact O-N 3.11Å; G163-T166 PolarHBondContact O-OG1 3.26Å; S164-T166 VanDerWaalsContact C-N 3.26Å; S164-T166 PolarHBondContact O-N 3.42Å
167	T	98.4	Very high	97.9	Very high	56 Å²	56	58.2 Å²	58.2	34%	0.344	30%	0.296	S	S	.	.	H	α-helix	trans	-140.1	-0.9	-171.1	64.4	0	0	0	0	113.7	G163 N169 S170	G163-T167 PolarHBondContact O-N 2.87Å; G163-T167 PolarHBondContact O-OG1 3.34Å; T167-N169 PolarHBondContact O-N 2.01Å; T167-N169 PolarHBondContact OG1-N 3.31Å; T167-S170 WeakPolarHBondContact O-CB 3.24Å; T167-S170 PolarHBondContact O-N 3.49Å; T167-S170 PolarHBondContact O-OG 3.45Å
168	G	98.6	Very high	98	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.2	17.8	-173.5	0	0	0	0	0	113.6	H101 D154 D155 G163 S164 S170	H101-G168 WeakPolarHBondContact CD2-CA 3.43Å; H101-G168 PolarHBondContact CD2-N 3.49Å; H101-G168 VanDerWaalsContact NE2-CA 3.28Å; H101-G168 WeakPolarHBondContact NE2-CA 3.44Å; D154-G168 CarbonylContact C-O 3.46Å; D154-G168 WeakPolarHBondContact CA-O 3.47Å; D154-G168 WeakPolarHBondContact OD1-CA 3.45Å; D155-G168 VanDerWaalsContact CG-O 3.28Å; D155-G168 PolarHBondContact N-O 3.43Å; D155-G168 WeakPolarHBondContact OD1-CA 3.41Å; G163-G168 PolarHBondContact O-N 2.86Å; G163-G168 VanDerWaalsContact O-N 3.13Å; S164-G168 PolarHBondContact O-N 2.82Å; G168-S170 PolarHBondContact O-N 3.47Å; G168-S170 VanDerWaalsContact O-N 3.11Å
169	N	98.6	Very high	98.1	Very high	58 Å²	58	51 Å²	51	31%	0.31	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	30.5	-172.1	-71.7	-46.7	0	0	0	114.2	D155 D161 G163 S164 T167 G171	D155-N169 WeakPolarHBondContact OD2-CB 3.47Å; D155-N169 PolarHBondContact OD2-ND2 3.09Å; D161-N169 PolarHBondContact OD1-ND2 3.09Å; D161-N169 PolarHBondContact OD1-OD1 3.45Å; D161-N169 PolarHBondContact OD2-ND2 2.93Å; G163-N169 VanDerWaalsContact C-OD1 3.31Å; G163-N169 WeakPolarHBondContact CA-OD1 3.47Å; G163-N169 PolarHBondContact O-N 2.95Å; S164-N169 PolarHBondContact N-ND2 2.79Å; S164-N169 VanDerWaalsContact N-ND2 3.19Å; T167-N169 PolarHBondContact O-N 2.01Å; T167-N169 PolarHBondContact OG1-N 3.31Å; N169-G171 PolarHBondContact O-N 3.11Å; N169-G171 VanDerWaalsContact O-N 3.09Å
170	S	98.6	Very high	98.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.261	C	S	.	.			trans	-70.3	-9.5	-173.4	-58	0	0	0	0	113.9	H76 H150 N152 D154 T167 G168	H76-S170 PolarHBondContact CE1-OG 3.06Å; H150-S170 WeakPolarHBondContact CB-O 3.32Å; N152-S170 WeakPolarHBondContact CA-O 3.48Å; N152-S170 VanDerWaalsContact CB-O 3.25Å; N152-S170 WeakPolarHBondContact CB-O 2.98Å; N152-S170 PolarHBondContact N-O 2.76Å; D154-S170 WeakPolarHBondContact CA-OG 3.38Å; D154-S170 WeakPolarHBondContact CB-OG 3.5Å; T167-S170 WeakPolarHBondContact O-CB 3.24Å; T167-S170 PolarHBondContact O-N 3.49Å; T167-S170 PolarHBondContact O-OG 3.45Å; G168-S170 PolarHBondContact O-N 3.47Å; G168-S170 VanDerWaalsContact O-N 3.11Å
171	G	98.1	Very high	98.2	Very high	33 Å²	33	42.9 Å²	42.9	34%	0.34	24%	0.243	S	C	.	.			trans	74.6	-160.9	172.7	0	0	0	0	0	113.9	H150 N169	H150-G171 PolarHBondContact ND1-O 3.35Å; N169-G171 PolarHBondContact O-N 3.11Å; N169-G171 VanDerWaalsContact O-N 3.09Å
172	P	97.9	Very high	98	Very high	89 Å²	89	43.8 Å²	43.8	58%	0.578	24%	0.242	S	C	*	.	S	Bend	trans	-66.1	157.6	-173.3	27.1	-33.8	0	0	0	112.2	H150 A151	H150-P172 CarbonylContact C-O 3.48Å; H150-P172 VanDerWaalsContact CA-O 3.26Å; H150-P172 WeakPolarHBondContact CA-O 3.16Å; A151-P172 HydrophobicContact CB-CG 3.75Å; A151-P172 PolarHBondContact N-O 2.77Å
173	R	98.3	Very high	97.6	Very high	61 Å²	61	42 Å²	42	23%	0.23	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	124.5	179.6	-53.1	180	-168.6	-153.2	-3.9	108.9	C87 G91 V148	C87-R173 HydrophobicContact CB-CB 4.07Å; C87-R173 HydrophobicContact CB-CG 4.45Å; C87-R173 PolarHBondContact O-NH1 3.27Å; G91-R173 PolarHBondContact O-NH1 2.8Å; G91-R173 PolarHBondContact O-NH2 3.24Å; V148-R173 HydrophobicContact CG1-CB 3.86Å; V148-R173 HydrophobicContact CG1-CG 3.75Å
174	L	97.5	Very high	96.6	Very high	44 Å²	44	49.6 Å²	49.6	23%	0.23	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-51.7	175.2	-71.7	-180	0	0	0	111.3	Y45 P68 L73 I149 A151	Y45-L174 WeakPolarHBondContact CE2-O 2.95Å; P68-L174 HydrophobicContact CG-CD1 4.02Å; L73-L174 HydrophobicContact CD1-CD1 4.04Å; L73-L174 HydrophobicContact CD2-CD1 4.35Å; I149-L174 WeakPolarHBondContact O-CB 3.31Å; I149-L174 PolarHBondContact O-N 2.84Å; A151-L174 HydrophobicContact CB-CD1 4.08Å; A151-L174 HydrophobicContact CB-CD2 3.84Å; A151-L174 HydrophobicContact CB-CG 3.75Å
175	A	98.2	Very high	96.5	Very high	3 Å²	3	52.1 Å²	52.1	3%	0.025	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	147.2	-173.8	0	0	0	0	0	109.9	F40 Y45 V148 I149	F40-A175 HydrophobicContact CD1-CB 3.9Å; F40-A175 HydrophobicContact CE1-CB 3.73Å; Y45-A175 HydrophobicContact CD1-CB 4.22Å; Y45-A175 HydrophobicContact CD2-CB 3.68Å; Y45-A175 HydrophobicContact CE2-CB 4.2Å; Y45-A175 HydrophobicContact CG-CB 3.67Å; V148-A175 WeakPolarHBondContact CA-O 3.29Å; I149-A175 HydrophobicContact CB-CB 4.45Å; I149-A175 PolarHBondContact N-O 2.85Å; I149-A175 PolarHBondContact O-N 3.43Å
176	C	98.7	Very high	96.5	Very high	22 Å²	22	51 Å²	51	15%	0.149	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	154.3	172.3	59.5	0	0	0	0	111.9	L83 C87 L147 V148	L83-C176 HydrophobicContact CD2-CB 3.99Å; C87-C176 VanDerWaalsContact CA-SG 3.58Å; C87-C176 HydrophobicContact CB-CB 3.61Å; C87-C176 WeakPolarHBondContact CB-SG 3.27Å; C87-C176 WeakPolarHBondContact SG-CB 3.46Å; C87-C176 CovalentContact SG-SG 2.01Å; C87-C176 PolarHBondContact SG-SG 3.33Å; L147-C176 CarbonylContact O-C 3.45Å; L147-C176 WeakPolarHBondContact O-CA 2.96Å; V148-C176 HydrophobicContact CG2-CB 3.92Å
177	A	98.8	Very high	96.4	Very high	2 Å²	2	50.6 Å²	50.6	2%	0.017	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	141.4	173	0	0	0	0	0	110.1	A38 S39 F40 A146 L147	A38-A177 HydrophobicContact CB-CB 3.95Å; S39-A177 VanDerWaalsContact O-CB 3.29Å; S39-A177 WeakPolarHBondContact O-CB 3.38Å; F40-A177 HydrophobicContact CD1-CB 4.09Å; F40-A177 HydrophobicContact CD2-CB 3.95Å; F40-A177 HydrophobicContact CE1-CB 4.03Å; F40-A177 HydrophobicContact CE2-CB 3.87Å; F40-A177 HydrophobicContact CG-CB 4.06Å; F40-A177 HydrophobicContact CZ-CB 3.91Å; A146-A177 CarbonylContact C-O 3.56Å; A146-A177 VanDerWaalsContact CA-O 3.31Å; A146-A177 WeakPolarHBondContact CA-O 3.36Å; L147-A177 PolarHBondContact N-O 3.09Å; L147-A177 PolarHBondContact O-N 3.04Å
178	T	98.8	Very high	96.3	Very high	60 Å²	60	50.2 Å²	50.2	37%	0.368	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	137.1	173.9	-49.7	0	0	0	0	109.2	G81 L83 R145 G180	G81-T178 PolarHBondContact O-OG1 3.39Å; L83-T178 WeakPolarHBondContact CD1-OG1 3.21Å; L83-T178 WeakPolarHBondContact CG-OG1 3.18Å; R145-T178 CarbonylContact O-C 3.55Å; R145-T178 WeakPolarHBondContact O-CA 3.32Å; T178-G180 PolarHBondContact O-N 3.15Å
179	I	98.8	Very high	96.1	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	102.6	174.4	-58.4	169.1	0	0	0	107.1	A36 I37 A38 F51 V77 F142 G144 R145 L147	A36-I179 HydrophobicContact CB-CG2 3.69Å; I37-I179 WeakPolarHBondContact O-CA 3.48Å; A38-I179 HydrophobicContact CB-CG1 4.08Å; F51-I179 HydrophobicContact CD2-CG2 4.08Å; F51-I179 HydrophobicContact CE1-CD1 4.13Å; F51-I179 HydrophobicContact CE2-CD1 4.19Å; F51-I179 HydrophobicContact CE2-CG1 3.99Å; F51-I179 HydrophobicContact CE2-CG2 4.19Å; F51-I179 HydrophobicContact CZ-CD1 3.76Å; F51-I179 HydrophobicContact CZ-CG1 4.03Å; V77-I179 HydrophobicContact CG1-CD1 3.83Å; V77-I179 HydrophobicContact CG2-CD1 3.97Å; F142-I179 HydrophobicContact CB-CD1 3.82Å; F142-I179 HydrophobicContact CB-CG2 4.3Å; F142-I179 WeakPolarHBondContact O-CB 3.38Å; F142-I179 WeakPolarHBondContact O-CG2 3.31Å; G144-I179 PolarHBondContact N-O 3.2Å; R145-I179 HydrophobicContact CB-CD1 4.4Å; R145-I179 PolarHBondContact O-N 3.38Å; L147-I179 HydrophobicContact CB-CD1 4.29Å; L147-I179 HydrophobicContact CB-CG1 4.29Å
180	G	98.2	Very high	95.9	Very high	29 Å²	29	53.1 Å²	53.1	30%	0.299	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	168.1	176.8	0	0	0	0	0	111.8	A36 I37 T178 R182	A36-G180 CarbonylContact C-O 3.53Å; A36-G180 WeakPolarHBondContact CA-O 3.44Å; A36-G180 VanDerWaalsContact CB-O 3.3Å; A36-G180 WeakPolarHBondContact CB-O 3.28Å; I37-G180 PolarHBondContact N-O 3.12Å; I37-G180 PolarHBondContact O-N 2.92Å; T178-G180 PolarHBondContact O-N 3.15Å; G180-R182 PolarHBondContact O-N 3.21Å
181	F	97.2	Very high	95.8	Very high	114 Å²	114	56.9 Å²	56.9	50%	0.5	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	138.1	172.1	-67.3	-65.2	0	0	0	111	D34 I143	D34-F181 HydrophobicContact CB-CD1 3.68Å; D34-F181 HydrophobicContact CB-CE1 3.73Å; I143-F181 HydrophobicContact CD1-CD1 3.55Å; I143-F181 HydrophobicContact CD1-CE1 3.58Å; I143-F181 HydrophobicContact CD1-CG 4.15Å; I143-F181 HydrophobicContact CD1-CZ 4.19Å; I143-F181 HydrophobicContact CG1-CD1 4.23Å; I143-F181 HydrophobicContact CG1-CE1 3.71Å; I143-F181 HydrophobicContact CG1-CZ 4.08Å; I143-F181 HydrophobicContact CG2-CE1 4.25Å; I143-F181 HydrophobicContact CG2-CE2 3.95Å; I143-F181 HydrophobicContact CG2-CZ 3.79Å
182	R	95	Very high	95.6	Very high	84 Å²	84	58.7 Å²	58.7	32%	0.317	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-89.4	133.2	174.2	-167.8	-178.1	60.7	80.3	-9.9	108.4	P35 I37 G180 P184	P35-R182 HydrophobicContact CB-CB 4.42Å; P35-R182 PolarHBondContact O-N 3.03Å; I37-R182 HydrophobicContact CB-CB 4.08Å; I37-R182 HydrophobicContact CB-CG 4.11Å; I37-R182 HydrophobicContact CG2-CB 3.94Å; I37-R182 HydrophobicContact CG2-CG 4.14Å; G180-R182 PolarHBondContact O-N 3.21Å; R182-P184 PolarHBondContact NH1-OXT 3.35Å
183	A	88.3	Confident	95.4	Very high	76 Å²	76	56.2 Å²	56.2	63%	0.628	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-59.5	150.1	167.7	0	0	0	0	0	110.3
184	P	76.8	Confident	95.1	Very high	179 Å²	179	55.7 Å²	55.7	100%	1.162	34%	0.336	S	S	*	.			trans	-47.3	0	177.4	-27.7	35	0	0	0	113.1	R182	R182-P184 PolarHBondContact NH1-OXT 3.35Å

Retrieved 184 of 184 residues in 80.2 ms (Link to these results)

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