A0A077ZKH5_TRITR Loading...

Outer-membrane lipoprotein carrier protein

AlphaFold DB , UniProt , Accession A0A077ZKH5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 204 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	40	Very low	46.4	Very low	234 Å²	234	155.7 Å²	155.7	100%	1.153	85%	0.847	S	S	*	*				0	93.7	0	-121.1	164.2	170.2	0	0	107.1
2	M	39.9	Very low	47.1	Very low	158 Å²	158	156.5 Å²	156.5	78%	0.778	85%	0.849	S	S	*	*				51.9	125	113.1	-62.3	173.1	76.1	0	0	113.7
3	K	39.2	Very low	48	Very low	187 Å²	187	153.8 Å²	153.8	81%	0.813	85%	0.849	S	S	*	*			cis	-159.9	157.4	9.1	-112.5	173.9	175.5	-177.2	0	109.9
4	K	42	Very low	48.8	Very low	207 Å²	207	151.2 Å²	151.2	90%	0.9	85%	0.847	S	S	*	*			trans	-70.6	147.3	-165.6	-63.5	167.2	176.3	-176.9	0	115.5
5	I	49.5	Very low	49.5	Very low	170 Å²	170	151.9 Å²	151.9	87%	0.872	85%	0.847	S	S	*	*			trans	-65.4	137.9	158.1	-66.2	158.3	0	0	0	109.4
6	A	50.8	Low	50.2	Low	83 Å²	83	149.9 Å²	149.9	69%	0.686	84%	0.839	S	S	*	*			trans	-163.3	114.7	157.8	0	0	0	0	0	114.9
7	I	54.5	Low	50.8	Low	157 Å²	157	145.6 Å²	145.6	81%	0.805	83%	0.827	S	S	*	*				84.2	90.1	129.5	-52.9	165.8	0	0	0	118.6
8	T	45.2	Very low	51.3	Low	126 Å²	126	142.6 Å²	142.6	77%	0.773	82%	0.817	S	S	*	*			trans	-65.3	160.2	145.7	-10.5	0	0	0	0	111.9
9	C	46.1	Very low	51.8	Low	127 Å²	127	139.4 Å²	139.4	86%	0.858	80%	0.804	S	S	*	*			trans	97.1	86.1	164.7	-59.2	0	0	0	0	117.8
10	A	51	Low	52.3	Low	99 Å²	99	137.8 Å²	137.8	82%	0.818	80%	0.796	S	S	*	*			trans	-152.2	71.4	154.4	0	0	0	0	0	110.3
11	L	52.1	Low	52.8	Low	165 Å²	165	136.5 Å²	136.5	86%	0.864	78%	0.778	S	S	*	*			trans	-144.9	142.5	167.6	-91.7	127.5	0	0	0	106.9
12	L	55.2	Low	53.9	Low	165 Å²	165	128.5 Å²	128.5	86%	0.864	75%	0.75	S	S	*	*			trans	94.5	84.8	-174.7	-70.6	80.7	0	0	0	115.8
13	S	58.3	Low	56.2	Low	122 Å²	122	126 Å²	126	85%	0.853	74%	0.739	S	S	*	*			trans	-158.4	8.8	155.1	-76.6	0	0	0	0	116.4
14	S	59.5	Low	58.9	Low	117 Å²	117	117.2 Å²	117.2	82%	0.818	70%	0.702	S	S	*	*			trans	-109	16.5	-168.6	50.9	0	0	0	0	117.5
15	L	59.8	Low	61.4	Low	162 Å²	162	108.6 Å²	108.6	85%	0.848	67%	0.669	S	S	*	*			trans	-104.6	7.1	-170.2	-84.7	148.1	0	0	0	117.2
16	V	60.1	Low	63.6	Low	120 Å²	120	103.5 Å²	103.5	73%	0.727	65%	0.649	S	S	*	*	S	Bend	trans	-98.2	-4.9	-168	-135.8	0	0	0	0	115.9
17	A	60	Low	65.8	Low	77 Å²	77	101.4 Å²	101.4	64%	0.636	63%	0.626	S	S	*	*	S	Bend	trans	-85.1	-12.2	-172.4	0	0	0	0	0	115	W21	A17-W21 VanDerWaalsContact O-CD1 3.26Å; A17-W21 PolarHBondContact O-NE1 3.38Å
18	S	60.1	Low	67.8	Low	91 Å²	91	93.9 Å²	93.9	64%	0.636	59%	0.587	S	S	*	*	S	Bend	trans	-92.6	-18.9	-169.6	-44.4	0	0	0	0	114.5
19	S	61.6	Low	70.2	Confident	81 Å²	81	90 Å²	90	57%	0.566	56%	0.559	S	S	*	*	H	α-helix	trans	-71.1	-35.4	-173.7	47.4	0	0	0	0	113.3	W21	S19-W21 VanDerWaalsContact C-N 3.34Å; S19-W21 PolarHBondContact O-N 2.91Å
20	V	61.8	Low	72.6	Confident	108 Å²	108	86.2 Å²	86.2	66%	0.655	53%	0.534	S	S	*	.	H	α-helix	trans	-67.3	-32.8	-175.5	179.1	0	0	0	0	112.6
21	W	62.1	Low	74.8	Confident	110 Å²	110	81.7 Å²	81.7	42%	0.417	50%	0.496	S	S	.	.	H	α-helix	trans	-78	-37.3	-175.7	-60.4	82.9	0	0	0	113.1	A17 S19 D23 N127 K129	A17-W21 VanDerWaalsContact O-CD1 3.26Å; A17-W21 PolarHBondContact O-NE1 3.38Å; S19-W21 VanDerWaalsContact C-N 3.34Å; S19-W21 PolarHBondContact O-N 2.91Å; W21-D23 PolarHBondContact O-N 3.21Å; W21-N127 HydrophobicContact CE3-CB 4.18Å; W21-N127 HydrophobicContact CH2-CB 4.45Å; W21-N127 HydrophobicContact CZ3-CB 3.63Å; W21-K129 HydrophobicContact CH2-CG 4.31Å; W21-K129 HydrophobicContact CZ3-CG 3.95Å
22	A	62.9	Low	77	Confident	67 Å²	67	73.9 Å²	73.9	55%	0.554	46%	0.455	S	S	*	.	H	α-helix	trans	-65.3	-35	178.4	0	0	0	0	0	111.1	S26	A22-S26 PolarHBondContact O-N 3.09Å; A22-S26 PolarHBondContact O-OG 3.08Å; A22-S26 VanDerWaalsContact O-OG 3.04Å
23	D	88	Confident	79	Confident	105 Å²	105	70.2 Å²	70.2	56%	0.561	44%	0.437	S	S	*	.	H	α-helix	trans	-66.5	-44.3	-177.8	-158.9	8.4	0	0	0	112.3	W21 A25 S26 D27	W21-D23 PolarHBondContact O-N 3.21Å; D23-A25 PolarHBondContact O-N 3.47Å; D23-S26 WeakPolarHBondContact CA-OG 3.42Å; D23-S26 PolarHBondContact O-N 3.41Å; D23-S26 PolarHBondContact O-OG 2.57Å; D23-D27 WeakPolarHBondContact O-CB 3.35Å; D23-D27 PolarHBondContact O-N 3.31Å
24	A	95.8	Very high	80.8	Confident	3 Å²	3	69.9 Å²	69.9	3%	0.025	42%	0.42	C	S	.	.	H	α-helix	trans	-63.8	-39.6	-179.1	0	0	0	0	0	113.3	L28 I128 Q130 F135	A24-L28 WeakPolarHBondContact O-CB 3.37Å; A24-L28 PolarHBondContact O-N 3.04Å; A24-I128 HydrophobicContact CB-CB 4.34Å; A24-I128 HydrophobicContact CB-CG2 3.98Å; A24-Q130 HydrophobicContact CB-CB 3.82Å; A24-F135 WeakPolarHBondContact O-CE1 3.43Å
25	A	94.8	Very high	82.6	Confident	25 Å²	25	64.6 Å²	64.6	21%	0.207	38%	0.383	C	S	.	.	H	α-helix	trans	-67.3	-41.5	177.3	0	0	0	0	0	111.8	D23 K29 I128	D23-A25 PolarHBondContact O-N 3.47Å; A25-K29 WeakPolarHBondContact O-CB 3.39Å; A25-K29 PolarHBondContact O-N 3.45Å; A25-K29 VanDerWaalsContact O-N 3.13Å; A25-I128 HydrophobicContact CB-CD1 3.87Å
26	S	95.2	Very high	84.3	Confident	64 Å²	64	61 Å²	61	45%	0.448	37%	0.371	S	S	.	.	H	α-helix	trans	-66.9	-41.6	174.7	45.3	0	0	0	0	112.5	A22 D23 K29 S30	A22-S26 PolarHBondContact O-N 3.09Å; A22-S26 PolarHBondContact O-OG 3.08Å; A22-S26 VanDerWaalsContact O-OG 3.04Å; D23-S26 WeakPolarHBondContact CA-OG 3.42Å; D23-S26 PolarHBondContact O-N 3.41Å; D23-S26 PolarHBondContact O-OG 2.57Å; S26-K29 PolarHBondContact O-N 3.3Å; S26-S30 VanDerWaalsContact O-CB 3.3Å; S26-S30 WeakPolarHBondContact O-CB 3.26Å; S26-S30 PolarHBondContact O-N 3.35Å
27	D	96.8	Very high	86.1	Confident	38 Å²	38	55.7 Å²	55.7	20%	0.203	34%	0.339	C	S	.	.	H	α-helix	trans	-64.6	-48.7	178.9	-171.8	31.3	0	0	0	110.6	D23 K29 S30 R31 Q130 F135	D23-D27 WeakPolarHBondContact O-CB 3.35Å; D23-D27 PolarHBondContact O-N 3.31Å; D27-K29 VanDerWaalsContact C-N 3.33Å; D27-K29 PolarHBondContact O-N 3.01Å; D27-S30 PolarHBondContact O-N 3.33Å; D27-S30 VanDerWaalsContact O-N 3.08Å; D27-S30 PolarHBondContact O-OG 2.99Å; D27-S30 PolarHBondContact OD1-OG 3Å; D27-R31 WeakPolarHBondContact O-CG 3.26Å; D27-R31 PolarHBondContact O-N 2.83Å; D27-R31 IonicContact OD1-NE 3.38Å; D27-R31 PolarHBondContact OD1-NE 2.83Å; D27-R31 IonicContact OD2-CZ 3.19Å; D27-R31 IonicContact OD2-NE 3.41Å; D27-R31 PolarHBondContact OD2-NE 3.31Å; D27-R31 IonicContact OD2-NH2 2.68Å; D27-R31 PolarHBondContact OD2-NH2 2.88Å; D27-Q130 PolarHBondContact OD2-NE2 2.79Å; D27-Q130 PolarHBondContact OD2-OE1 3.06Å; D27-F135 HydrophobicContact CB-CE1 4.44Å
28	L	97.1	Very high	87.9	Confident	0 Å²	0	52 Å²	52	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-51.6	-52.1	175	176.3	56.5	0	0	0	111.4	A24 S30 R31 L32 W123 I128 F135 L137 I151 V153	A24-L28 WeakPolarHBondContact O-CB 3.37Å; A24-L28 PolarHBondContact O-N 3.04Å; L28-S30 VanDerWaalsContact C-N 3.33Å; L28-S30 PolarHBondContact O-N 3.24Å; L28-R31 PolarHBondContact O-N 3.24Å; L28-L32 HydrophobicContact CD1-CD1 3.83Å; L28-L32 HydrophobicContact CD1-CG 4.15Å; L28-L32 HydrophobicContact CG-CD1 4.12Å; L28-L32 WeakPolarHBondContact O-CG 3.33Å; L28-L32 PolarHBondContact O-N 3.3Å; L28-W123 HydrophobicContact CD2-CD2 4.23Å; L28-W123 HydrophobicContact CD2-CE3 3.9Å; L28-W123 HydrophobicContact CD2-CH2 4.19Å; L28-W123 HydrophobicContact CD2-CZ2 4.49Å; L28-W123 HydrophobicContact CD2-CZ3 3.89Å; L28-I128 HydrophobicContact CD2-CD1 4.2Å; L28-F135 HydrophobicContact CB-CD1 3.73Å; L28-F135 HydrophobicContact CB-CE1 3.66Å; L28-F135 HydrophobicContact CB-CG 4.29Å; L28-F135 HydrophobicContact CB-CZ 4.2Å; L28-F135 HydrophobicContact CD1-CB 4.49Å; L28-F135 HydrophobicContact CD1-CD1 4.3Å; L28-F135 HydrophobicContact CD1-CD2 3.98Å; L28-F135 HydrophobicContact CD1-CE2 4.28Å; L28-F135 HydrophobicContact CD1-CG 3.99Å; L28-F135 HydrophobicContact CD2-CB 4.47Å; L28-F135 HydrophobicContact CD2-CD1 4.45Å; L28-F135 HydrophobicContact CD2-CG 4.48Å; L28-F135 HydrophobicContact CG-CD1 4.37Å; L28-F135 HydrophobicContact CG-CG 4.48Å; L28-L137 HydrophobicContact CD2-CD1 4.22Å; L28-L137 HydrophobicContact CD2-CD2 4.13Å; L28-I151 HydrophobicContact CD1-CG2 3.88Å; L28-I151 HydrophobicContact CD2-CG2 4.4Å; L28-V153 HydrophobicContact CD1-CG1 3.67Å
29	K	95.8	Very high	89.7	Confident	43 Å²	43	49.8 Å²	49.8	19%	0.187	29%	0.288	C	S	.	.	H	α-helix	trans	-59.9	-45.2	179.3	-168.1	-165.8	-179.4	-49.7	0	111.3	A25 S26 D27 R31 L32 D33 N118 S120	A25-K29 WeakPolarHBondContact O-CB 3.39Å; A25-K29 PolarHBondContact O-N 3.45Å; A25-K29 VanDerWaalsContact O-N 3.13Å; S26-K29 PolarHBondContact O-N 3.3Å; D27-K29 VanDerWaalsContact C-N 3.33Å; D27-K29 PolarHBondContact O-N 3.01Å; K29-R31 VanDerWaalsContact C-N 3.31Å; K29-R31 PolarHBondContact O-N 2.87Å; K29-L32 PolarHBondContact O-N 2.81Å; K29-D33 IonicContact NZ-OD1 2.8Å; K29-D33 PolarHBondContact NZ-OD1 2.84Å; K29-D33 IonicContact NZ-OD2 3.72Å; K29-D33 PolarHBondContact NZ-OD2 2.73Å; K29-D33 WeakPolarHBondContact O-CB 3.21Å; K29-D33 PolarHBondContact O-N 2.8Å; K29-N118 WeakPolarHBondContact CG-OD1 3.3Å; K29-N118 PolarHBondContact O-ND2 3.16Å; K29-N118 VanDerWaalsContact O-ND2 3.14Å; K29-S120 VanDerWaalsContact CD-OG 3.26Å; K29-S120 WeakPolarHBondContact CD-OG 3.38Å; K29-S120 WeakPolarHBondContact CE-OG 3.41Å
30	S	96.6	Very high	91.5	Very high	48 Å²	48	45.9 Å²	45.9	34%	0.336	26%	0.261	S	S	.	.	H	α-helix	trans	-65.1	-32.7	-178.5	83.9	0	0	0	0	113.1	S26 D27 L28	S26-S30 VanDerWaalsContact O-CB 3.3Å; S26-S30 WeakPolarHBondContact O-CB 3.26Å; S26-S30 PolarHBondContact O-N 3.35Å; D27-S30 PolarHBondContact O-N 3.33Å; D27-S30 VanDerWaalsContact O-N 3.08Å; D27-S30 PolarHBondContact O-OG 2.99Å; D27-S30 PolarHBondContact OD1-OG 3Å; L28-S30 VanDerWaalsContact C-N 3.33Å; L28-S30 PolarHBondContact O-N 3.24Å
31	R	97.7	Very high	93.2	Very high	5 Å²	5	42.6 Å²	42.6	2%	0.019	24%	0.243	C	C	.	.	H	α-helix	trans	-68.3	-50.3	173	-68.6	176.1	-172.8	-143.5	7.6	110.2	D27 L28 K29 D33 K34 G132 D133 V153 G157	D27-R31 WeakPolarHBondContact O-CG 3.26Å; D27-R31 PolarHBondContact O-N 2.83Å; D27-R31 IonicContact OD1-NE 3.38Å; D27-R31 PolarHBondContact OD1-NE 2.83Å; D27-R31 IonicContact OD2-CZ 3.19Å; D27-R31 IonicContact OD2-NE 3.41Å; D27-R31 PolarHBondContact OD2-NE 3.31Å; D27-R31 IonicContact OD2-NH2 2.68Å; D27-R31 PolarHBondContact OD2-NH2 2.88Å; L28-R31 PolarHBondContact O-N 3.24Å; K29-R31 VanDerWaalsContact C-N 3.31Å; K29-R31 PolarHBondContact O-N 2.87Å; R31-D33 VanDerWaalsContact C-N 3.26Å; R31-D33 PolarHBondContact O-N 3.12Å; R31-K34 WeakPolarHBondContact O-CB 3.24Å; R31-K34 PolarHBondContact O-N 3.49Å; R31-K34 VanDerWaalsContact O-N 3.14Å; R31-G132 PolarHBondContact NH2-O 3.38Å; R31-G132 VanDerWaalsContact NH2-O 3.13Å; R31-D133 IonicContact CZ-OD1 3.21Å; R31-D133 IonicContact NH1-OD1 2.85Å; R31-D133 PolarHBondContact NH1-OD1 2.82Å; R31-D133 IonicContact NH2-OD1 3.29Å; R31-V153 HydrophobicContact CB-CG1 4.26Å; R31-V153 HydrophobicContact CB-CG2 3.98Å; R31-V153 PolarHBondContact NH1-O 3.13Å; R31-G157 WeakPolarHBondContact O-CA 3.47Å
32	L	97.2	Very high	94.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-65	-28.2	179.6	-66.5	175.3	0	0	0	113	L28 K29 K34 V35 R65 N118 W123 I151 V153 I159	L28-L32 HydrophobicContact CD1-CD1 3.83Å; L28-L32 HydrophobicContact CD1-CG 4.15Å; L28-L32 HydrophobicContact CG-CD1 4.12Å; L28-L32 WeakPolarHBondContact O-CG 3.33Å; L28-L32 PolarHBondContact O-N 3.3Å; K29-L32 PolarHBondContact O-N 2.81Å; L32-K34 PolarHBondContact O-N 2.95Å; L32-V35 PolarHBondContact O-N 2.99Å; L32-V35 VanDerWaalsContact O-O 3.07Å; L32-R65 VanDerWaalsContact O-CZ 3.29Å; L32-R65 PolarHBondContact O-NH1 2.99Å; L32-N118 HydrophobicContact CB-CB 4.34Å; L32-N118 VanDerWaalsContact CB-CG 3.49Å; L32-N118 VanDerWaalsContact CB-ND2 3.31Å; L32-N118 WeakPolarHBondContact CB-ND2 3.39Å; L32-W123 HydrophobicContact CD1-CH2 3.99Å; L32-W123 HydrophobicContact CD1-CZ2 3.5Å; L32-I151 HydrophobicContact CD2-CD1 4.22Å; L32-V153 HydrophobicContact CD2-CG2 3.96Å; L32-I159 HydrophobicContact CD2-CD1 3.7Å; L32-I159 HydrophobicContact CD2-CG1 3.89Å
33	D	96.7	Very high	96.6	Very high	89 Å²	89	37.1 Å²	37.1	48%	0.476	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-20.3	175.5	-78.1	-24.6	0	0	0	113.1	K29 R31 V35 N118	K29-D33 IonicContact NZ-OD1 2.8Å; K29-D33 PolarHBondContact NZ-OD1 2.84Å; K29-D33 IonicContact NZ-OD2 3.72Å; K29-D33 PolarHBondContact NZ-OD2 2.73Å; K29-D33 WeakPolarHBondContact O-CB 3.21Å; K29-D33 PolarHBondContact O-N 2.8Å; R31-D33 VanDerWaalsContact C-N 3.26Å; R31-D33 PolarHBondContact O-N 3.12Å; D33-V35 VanDerWaalsContact C-N 3.26Å; D33-V35 PolarHBondContact O-N 3.36Å; D33-N118 PolarHBondContact N-ND2 2.88Å; D33-N118 PolarHBondContact OD1-ND2 2.94Å
34	K	97.3	Very high	97.1	Very high	115 Å²	115	33.2 Å²	33.2	50%	0.5	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-19.5	-179.5	-69.9	165.9	-177.5	144.4	0	113.7	R31 L32 R155 D156	R31-K34 WeakPolarHBondContact O-CB 3.24Å; R31-K34 PolarHBondContact O-N 3.49Å; R31-K34 VanDerWaalsContact O-N 3.14Å; L32-K34 PolarHBondContact O-N 2.95Å; K34-R155 WeakPolarHBondContact CD-O 3.33Å; K34-R155 WeakPolarHBondContact CE-O 3.35Å; K34-R155 PolarHBondContact NZ-O 2.83Å; K34-D156 WeakPolarHBondContact CB-O 3.26Å
35	V	97.2	Very high	97.2	Very high	6 Å²	6	37.9 Å²	37.9	4%	0.036	21%	0.213	C	C	.	.			trans	-116.2	123.2	178.1	179.4	0	0	0	0	106.8	L32 D33 S37 F38 R65 N181	L32-V35 PolarHBondContact O-N 2.99Å; L32-V35 VanDerWaalsContact O-O 3.07Å; D33-V35 VanDerWaalsContact C-N 3.26Å; D33-V35 PolarHBondContact O-N 3.36Å; V35-S37 WeakPolarHBondContact CG1-O 3.33Å; V35-F38 HydrophobicContact CG1-CB 3.9Å; V35-F38 HydrophobicContact CG1-CD1 3.78Å; V35-F38 HydrophobicContact CG1-CG 4.26Å; V35-R65 PolarHBondContact O-NH1 3.27Å; V35-N181 HydrophobicContact CG1-CB 4.39Å; V35-N181 WeakPolarHBondContact CG1-OD1 3.47Å
36	S	96.2	Very high	97.3	Very high	85 Å²	85	37.1 Å²	37.1	59%	0.594	21%	0.205	S	C	*	.	S	Bend	trans	-97.6	-28	175.6	56.7	0	0	0	0	111.9	R65	S36-R65 WeakPolarHBondContact O-CB 3.42Å; S36-R65 PolarHBondContact O-N 3.3Å
37	S	97.6	Very high	97.4	Very high	10 Å²	10	35.1 Å²	35.1	7%	0.07	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	148.7	172.5	49.4	0	0	0	0	111.7	V35 V63 G182	V35-S37 WeakPolarHBondContact CG1-O 3.33Å; S37-V63 CarbonylContact C-O 3.53Å; S37-V63 WeakPolarHBondContact CA-O 3.35Å; S37-V63 WeakPolarHBondContact CB-O 3.43Å; S37-G182 CarbonylContact C-O 3.59Å; S37-G182 WeakPolarHBondContact CB-O 3.28Å; S37-G182 PolarHBondContact O-N 3.39Å; S37-G182 VanDerWaalsContact O-N 3.09Å; S37-G182 PolarHBondContact OG-O 2.6Å
38	F	97.9	Very high	97.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	161.8	177.2	68	-88.7	0	0	0	112.5	V35 A40 L61 W62 V63 I159 L176 Q179 Q180	V35-F38 HydrophobicContact CG1-CB 3.9Å; V35-F38 HydrophobicContact CG1-CD1 3.78Å; V35-F38 HydrophobicContact CG1-CG 4.26Å; F38-A40 HydrophobicContact CD2-CB 4.28Å; F38-A40 HydrophobicContact CE2-CB 4.37Å; F38-L61 HydrophobicContact CE2-CD2 3.85Å; F38-L61 HydrophobicContact CE2-CG 4.35Å; F38-L61 HydrophobicContact CZ-CD2 4.11Å; F38-W62 WeakPolarHBondContact O-CA 3.38Å; F38-V63 HydrophobicContact CD1-CB 3.89Å; F38-V63 HydrophobicContact CD1-CG1 4.44Å; F38-V63 HydrophobicContact CD1-CG2 4.47Å; F38-V63 HydrophobicContact CE1-CB 3.5Å; F38-V63 HydrophobicContact CE1-CG1 3.89Å; F38-V63 HydrophobicContact CE1-CG2 3.71Å; F38-V63 HydrophobicContact CE2-CB 4.42Å; F38-V63 HydrophobicContact CE2-CG2 4.04Å; F38-V63 HydrophobicContact CZ-CB 3.8Å; F38-V63 HydrophobicContact CZ-CG1 4.48Å; F38-V63 HydrophobicContact CZ-CG2 3.46Å; F38-V63 VanDerWaalsContact CZ-CG2 3.46Å; F38-V63 PolarHBondContact N-O 3.13Å; F38-V63 PolarHBondContact O-N 2.77Å; F38-I159 HydrophobicContact CE1-CD1 4.29Å; F38-I159 HydrophobicContact CZ-CD1 4.18Å; F38-L176 HydrophobicContact CE2-CD1 4.37Å; F38-Q179 HydrophobicContact CB-CG 3.99Å; F38-Q179 HydrophobicContact CD2-CG 3.92Å; F38-Q179 HydrophobicContact CG-CG 4.18Å; F38-Q180 CarbonylContact C-O 3.52Å; F38-Q180 WeakPolarHBondContact CA-O 3.21Å; F38-Q180 WeakPolarHBondContact CB-O 3.39Å
39	H	98.1	Very high	97.3	Very high	43 Å²	43	38.8 Å²	38.8	20%	0.199	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	143.6	162.7	166.9	-116.5	0	0	0	109.1	D60 L61 W62 Q179 Q180	H39-D60 IonicContact CD2-OD1 2.82Å; H39-D60 IonicContact CE1-OD1 3.47Å; H39-D60 PolarHBondContact CE1-OD1 2.88Å; H39-D60 IonicContact NE2-OD1 2.84Å; H39-D60 PolarHBondContact NE2-OD1 2.68Å; H39-L61 CarbonylContact C-O 3.53Å; H39-L61 VanDerWaalsContact CA-O 3.26Å; H39-L61 WeakPolarHBondContact CA-O 3.44Å; H39-L61 PolarHBondContact CD2-O 2.87Å; H39-L61 VanDerWaalsContact CD2-O 3.3Å; H39-W62 HydrophobicContact CB-CG 4.47Å; H39-W62 AromaticContact CD2-CD1 3.64Å; H39-W62 AromaticContact CD2-CD2 3.83Å; H39-W62 AromaticContact CD2-CE2 3.26Å; H39-W62 AromaticContact CD2-CZ2 3.65Å; H39-W62 AromaticContact CD2-NE1 3.12Å; H39-W62 PolarHBondContact CD2-NE1 3.02Å; H39-W62 AromaticContact CG-CD1 3.83Å; H39-W62 AromaticContact CG-NE1 3.44Å; H39-W62 AromaticContact NE2-CE2 3.79Å; H39-W62 AromaticContact NE2-CZ2 3.66Å; H39-W62 AromaticContact NE2-NE1 3.93Å; H39-Q179 CarbonylContact O-C 3.52Å; H39-Q179 VanDerWaalsContact O-CA 3.26Å; H39-Q179 WeakPolarHBondContact O-CA 3.45Å; H39-Q180 PolarHBondContact N-O 3.16Å; H39-Q180 PolarHBondContact O-N 3.09Å
40	A	98.2	Very high	97.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	148.6	170.2	0	0	0	0	0	110.4	F38 L61 L176 Q179	F38-A40 HydrophobicContact CD2-CB 4.28Å; F38-A40 HydrophobicContact CE2-CB 4.37Å; A40-L61 PolarHBondContact N-O 2.94Å; A40-L61 PolarHBondContact O-N 3.38Å; A40-L176 HydrophobicContact CB-CB 4.25Å; A40-L176 HydrophobicContact CB-CD1 4.4Å; A40-Q179 HydrophobicContact CB-CB 4.22Å
41	S	98.5	Very high	97.3	Very high	39 Å²	39	41.4 Å²	41.4	27%	0.273	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	151.9	162	61.2	0	0	0	0	109.8	G59 L176 K177	S41-G59 CarbonylContact C-O 3.55Å; S41-G59 WeakPolarHBondContact CA-O 3.41Å; S41-L176 CarbonylContact O-C 3.6Å; S41-L176 WeakPolarHBondContact O-CA 3.36Å; S41-K177 PolarHBondContact N-O 3.38Å; S41-K177 PolarHBondContact O-N 3.08Å; S41-K177 PolarHBondContact OG-O 3.18Å
42	F	98	Very high	97.3	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.018	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	153.3	175.9	70.5	-97.7	0	0	0	112.9	Q58 G59 D60 L61 W71 M73 Y174 Q175 L176	F42-Q58 VanDerWaalsContact O-CA 3.23Å; F42-Q58 WeakPolarHBondContact O-CA 3.45Å; F42-Q58 WeakPolarHBondContact O-CB 3.46Å; F42-G59 VanDerWaalsContact CD1-C 3.45Å; F42-G59 WeakPolarHBondContact CD1-O 3.19Å; F42-G59 PolarHBondContact N-O 3.1Å; F42-G59 PolarHBondContact O-N 2.88Å; F42-D60 VanDerWaalsContact CE1-N 3.32Å; F42-L61 HydrophobicContact CD1-CB 4.17Å; F42-W71 HydrophobicContact CD1-CH2 4.33Å; F42-W71 AromaticContact CD1-CZ2 3.93Å; F42-W71 HydrophobicContact CD1-CZ2 3.93Å; F42-W71 HydrophobicContact CD2-CH2 4.48Å; F42-W71 AromaticContact CD2-CZ2 3.82Å; F42-W71 HydrophobicContact CD2-CZ2 3.82Å; F42-W71 HydrophobicContact CE1-CD2 4.18Å; F42-W71 AromaticContact CE1-CE2 3.56Å; F42-W71 HydrophobicContact CE1-CG 4.46Å; F42-W71 HydrophobicContact CE1-CH2 4.47Å; F42-W71 AromaticContact CE1-CZ2 3.7Å; F42-W71 HydrophobicContact CE1-CZ2 3.7Å; F42-W71 AromaticContact CE1-NE1 3.62Å; F42-W71 AromaticContact CE2-CE2 3.96Å; F42-W71 AromaticContact CE2-CZ2 3.61Å; F42-W71 HydrophobicContact CE2-CZ2 3.61Å; F42-W71 AromaticContact CE2-NE1 3.89Å; F42-W71 HydrophobicContact CG-CH2 4.35Å; F42-W71 AromaticContact CG-CZ2 4Å; F42-W71 HydrophobicContact CG-CZ2 4Å; F42-W71 AromaticContact CZ-CD1 3.99Å; F42-W71 HydrophobicContact CZ-CD2 4.43Å; F42-W71 AromaticContact CZ-CE2 3.44Å; F42-W71 VanDerWaalsContact CZ-CE2 3.44Å; F42-W71 AromaticContact CZ-CZ2 3.56Å; F42-W71 HydrophobicContact CZ-CZ2 3.56Å; F42-W71 AromaticContact CZ-NE1 3.17Å; F42-M73 HydrophobicContact CZ-CB 4.26Å; F42-Y174 HydrophobicContact CD2-CD1 4.29Å; F42-Q175 CarbonylContact C-O 3.44Å; F42-Q175 VanDerWaalsContact CA-O 3.25Å; F42-Q175 WeakPolarHBondContact CA-O 3.18Å; F42-L176 HydrophobicContact CB-CD2 3.55Å
43	T	98.3	Very high	97.3	Very high	57 Å²	57	46.6 Å²	46.6	35%	0.35	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	135.1	159.2	57.4	0	0	0	0	109.1	G57 Q58 Y174 Q175	T43-G57 CarbonylContact C-O 3.52Å; T43-G57 WeakPolarHBondContact CA-O 3.41Å; T43-Q58 HydrophobicContact CG2-CB 4.33Å; T43-Y174 WeakPolarHBondContact O-CA 3.43Å; T43-Q175 PolarHBondContact N-O 2.83Å; T43-Q175 PolarHBondContact O-N 3.27Å
44	Q	97.7	Very high	97.2	Very high	24 Å²	24	46.4 Å²	46.4	11%	0.112	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	141	176.2	-177.9	-163.9	52.6	0	0	109.9	V46 E56 G57 S173 Y174	Q44-V46 HydrophobicContact CG-CG2 4.08Å; Q44-E56 WeakPolarHBondContact O-CA 3.16Å; Q44-G57 PolarHBondContact N-O 2.71Å; Q44-G57 PolarHBondContact O-N 2.82Å; Q44-S173 CarbonylContact C-O 3.55Å; Q44-S173 VanDerWaalsContact CA-O 3.29Å; Q44-S173 WeakPolarHBondContact CA-O 3.13Å; Q44-Y174 HydrophobicContact CB-CD1 3.87Å; Q44-Y174 HydrophobicContact CB-CE1 3.77Å; Q44-Y174 HydrophobicContact CG-CD1 3.95Å; Q44-Y174 HydrophobicContact CG-CE1 3.46Å; Q44-Y174 VanDerWaalsContact CG-CE1 3.46Å; Q44-Y174 PolarHBondContact NE2-OH 3.01Å
45	K	97.7	Very high	97.1	Very high	101 Å²	101	44.6 Å²	44.6	44%	0.439	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	124.2	164.9	-177.1	171.5	-176.3	167.5	0	110	T47 E56 S173	K45-T47 HydrophobicContact CG-CG2 4.26Å; K45-E56 HydrophobicContact CG-CG 4.38Å; K45-S173 PolarHBondContact N-O 3.45Å; K45-S173 PolarHBondContact O-N 3.4Å
46	V	96.9	Very high	97.1	Very high	9 Å²	9	49.9 Å²	49.9	6%	0.055	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	127.8	174.7	-172.1	0	0	0	0	108.8	Q44 V54 Q55 Q170 R171	Q44-V46 HydrophobicContact CG-CG2 4.08Å; V46-V54 HydrophobicContact CB-CB 4.42Å; V46-V54 HydrophobicContact CG1-CB 4.17Å; V46-V54 PolarHBondContact O-N 2.86Å; V46-Q55 HydrophobicContact CB-CB 4.2Å; V46-Q55 HydrophobicContact CG2-CB 4.32Å; V46-Q55 PolarHBondContact N-O 3.19Å; V46-Q55 PolarHBondContact O-N 3.5Å; V46-Q170 HydrophobicContact CG1-CG 3.86Å; V46-R171 CarbonylContact C-O 3.59Å; V46-R171 VanDerWaalsContact CA-O 3.28Å; V46-R171 WeakPolarHBondContact CA-O 3.21Å
47	T	98.1	Very high	97.1	Very high	22 Å²	22	46.3 Å²	46.3	14%	0.135	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	148.1	174.3	60.6	0	0	0	0	110.8	K45 A52 Q170 R171	K45-T47 HydrophobicContact CG-CG2 4.26Å; T47-A52 CarbonylContact C-O 3.54Å; T47-A52 WeakPolarHBondContact CA-O 3.25Å; T47-A52 WeakPolarHBondContact CB-O 3.48Å; T47-Q170 CarbonylContact O-C 3.43Å; T47-Q170 WeakPolarHBondContact O-CA 3.4Å; T47-R171 PolarHBondContact N-O 2.73Å; T47-R171 PolarHBondContact O-N 2.76Å
48	D	96.9	Very high	97.2	Very high	61 Å²	61	50.5 Å²	50.5	33%	0.326	31%	0.312	S	S	.	.			trans	-75.7	178.8	171.1	70.1	18.7	0	0	0	111.9	S50 G51 A52 V54	D48-S50 PolarHBondContact O-N 2.84Å; D48-S50 VanDerWaalsContact O-N 3.16Å; D48-S50 WeakPolarHBondContact OD1-CA 3.38Å; D48-S50 VanDerWaalsContact OD1-CB 3.32Å; D48-S50 WeakPolarHBondContact OD1-CB 3.37Å; D48-S50 PolarHBondContact OD1-N 3.25Å; D48-S50 PolarHBondContact OD1-OG 3.17Å; D48-S50 PolarHBondContact OD2-OG 2.84Å; D48-G51 PolarHBondContact O-N 3.25Å; D48-G51 PolarHBondContact OD1-N 2.82Å; D48-G51 VanDerWaalsContact OD1-N 3.09Å; D48-A52 PolarHBondContact N-O 2.86Å; D48-A52 PolarHBondContact OD1-N 2.83Å; D48-V54 HydrophobicContact CB-CG2 3.89Å
49	G	95.7	Very high	97.2	Very high	53 Å²	53	50.8 Å²	50.8	55%	0.546	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-14.5	178.6	0	0	0	0	0	115.2
50	S	96.2	Very high	97.2	Very high	99 Å²	99	51 Å²	51	69%	0.692	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-11.1	172.1	80.5	0	0	0	0	112.9	D48 A52	D48-S50 PolarHBondContact O-N 2.84Å; D48-S50 VanDerWaalsContact O-N 3.16Å; D48-S50 WeakPolarHBondContact OD1-CA 3.38Å; D48-S50 VanDerWaalsContact OD1-CB 3.32Å; D48-S50 WeakPolarHBondContact OD1-CB 3.37Å; D48-S50 PolarHBondContact OD1-N 3.25Å; D48-S50 PolarHBondContact OD1-OG 3.17Å; D48-S50 PolarHBondContact OD2-OG 2.84Å; S50-A52 PolarHBondContact OG-N 3.43Å
51	G	95.6	Very high	97.1	Very high	48 Å²	48	51.1 Å²	51.1	50%	0.495	32%	0.318	S	S	.	.			trans	87.4	5.1	-173.9	0	0	0	0	0	113.9	D48	D48-G51 PolarHBondContact O-N 3.25Å; D48-G51 PolarHBondContact OD1-N 2.82Å; D48-G51 VanDerWaalsContact OD1-N 3.09Å
52	A	97.2	Very high	97.1	Very high	46 Å²	46	50.7 Å²	50.7	38%	0.38	31%	0.311	S	S	.	.			trans	-70.4	140	175.1	0	0	0	0	0	110.1	T47 D48 S50 V54	T47-A52 CarbonylContact C-O 3.54Å; T47-A52 WeakPolarHBondContact CA-O 3.25Å; T47-A52 WeakPolarHBondContact CB-O 3.48Å; D48-A52 PolarHBondContact N-O 2.86Å; D48-A52 PolarHBondContact OD1-N 2.83Å; S50-A52 PolarHBondContact OG-N 3.43Å; A52-V54 PolarHBondContact O-N 2.97Å
53	A	96.7	Very high	97	Very high	67 Å²	67	50.5 Å²	50.5	55%	0.554	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.6	125.9	177.7	0	0	0	0	0	110.2
54	V	95.8	Very high	97	Very high	85 Å²	85	52 Å²	52	52%	0.515	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	-45.6	177.1	174.8	0	0	0	0	110	V46 D48 A52	V46-V54 HydrophobicContact CB-CB 4.42Å; V46-V54 HydrophobicContact CG1-CB 4.17Å; V46-V54 PolarHBondContact O-N 2.86Å; D48-V54 HydrophobicContact CB-CG2 3.89Å; A52-V54 PolarHBondContact O-N 2.97Å
55	Q	94.7	Very high	96.8	Very high	77 Å²	77	52.7 Å²	52.7	36%	0.36	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	147.3	-178	-178.1	174.4	-25.9	0	0	109.9	V46	V46-Q55 HydrophobicContact CB-CB 4.2Å; V46-Q55 HydrophobicContact CG2-CB 4.32Å; V46-Q55 PolarHBondContact N-O 3.19Å; V46-Q55 PolarHBondContact O-N 3.5Å
56	E	97.2	Very high	96.5	Very high	117 Å²	117	50.9 Å²	50.9	55%	0.547	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	156.5	165.7	-63.5	-172.3	165.5	0	0	108.2	Q44 K45 P76	Q44-E56 WeakPolarHBondContact O-CA 3.16Å; K45-E56 HydrophobicContact CG-CG 4.38Å; E56-P76 WeakPolarHBondContact O-CD 3.06Å
57	G	97.1	Very high	96.3	Very high	10 Å²	10	52.9 Å²	52.9	10%	0.103	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	170.1	179.2	0	0	0	0	0	112.6	T43 Q44 Q75	T43-G57 CarbonylContact C-O 3.52Å; T43-G57 WeakPolarHBondContact CA-O 3.41Å; Q44-G57 PolarHBondContact N-O 2.71Å; Q44-G57 PolarHBondContact O-N 2.82Å; G57-Q75 CarbonylContact C-O 3.56Å; G57-Q75 WeakPolarHBondContact CA-O 3.48Å
58	Q	98.2	Very high	96.2	Very high	99 Å²	99	53.4 Å²	53.4	46%	0.463	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	161.1	175.2	54.9	172.9	58.9	0	0	111.2	F42 T43 T74 Q75	F42-Q58 VanDerWaalsContact O-CA 3.23Å; F42-Q58 WeakPolarHBondContact O-CA 3.45Å; F42-Q58 WeakPolarHBondContact O-CB 3.46Å; T43-Q58 HydrophobicContact CG2-CB 4.33Å; Q58-T74 PolarHBondContact O-N 3.46Å; Q58-T74 PolarHBondContact O-OG1 3.14Å; Q58-Q75 HydrophobicContact CG-CB 3.65Å; Q58-Q75 HydrophobicContact CG-CG 4.01Å; Q58-Q75 PolarHBondContact N-O 3.29Å; Q58-Q75 VanDerWaalsContact N-O 3.09Å; Q58-Q75 PolarHBondContact O-N 3.19Å
59	G	98.1	Very high	96.2	Very high	6 Å²	6	50.7 Å²	50.7	6%	0.062	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.3	-159.9	-178.8	0	0	0	0	0	113.6	S41 F42 H72	S41-G59 CarbonylContact C-O 3.55Å; S41-G59 WeakPolarHBondContact CA-O 3.41Å; F42-G59 VanDerWaalsContact CD1-C 3.45Å; F42-G59 WeakPolarHBondContact CD1-O 3.19Å; F42-G59 PolarHBondContact N-O 3.1Å; F42-G59 PolarHBondContact O-N 2.88Å; G59-H72 CarbonylContact C-O 3.54Å; G59-H72 WeakPolarHBondContact CA-O 3.5Å
60	D	98	Very high	96.2	Very high	48 Å²	48	49 Å²	49	26%	0.257	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	144.4	-177.4	-73.3	-85.5	0	0	0	111.4	H39 F42 W62 H72	H39-D60 IonicContact CD2-OD1 2.82Å; H39-D60 IonicContact CE1-OD1 3.47Å; H39-D60 PolarHBondContact CE1-OD1 2.88Å; H39-D60 IonicContact NE2-OD1 2.84Å; H39-D60 PolarHBondContact NE2-OD1 2.68Å; F42-D60 VanDerWaalsContact CE1-N 3.32Å; D60-W62 HydrophobicContact CB-CE3 4.3Å; D60-W62 HydrophobicContact CB-CH2 3.27Å; D60-W62 HydrophobicContact CB-CZ2 3.97Å; D60-W62 HydrophobicContact CB-CZ3 3.48Å; D60-W62 VanDerWaalsContact CB-CZ3 3.48Å; D60-H72 PolarHBondContact N-O 2.95Å; D60-H72 PolarHBondContact O-N 2.9Å
61	L	97.2	Very high	96.2	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	128	179	168.9	65.8	0	0	0	109.7	F38 H39 A40 F42 V63 N70 W71 F112 L176	F38-L61 HydrophobicContact CE2-CD2 3.85Å; F38-L61 HydrophobicContact CE2-CG 4.35Å; F38-L61 HydrophobicContact CZ-CD2 4.11Å; H39-L61 CarbonylContact C-O 3.53Å; H39-L61 VanDerWaalsContact CA-O 3.26Å; H39-L61 WeakPolarHBondContact CA-O 3.44Å; H39-L61 PolarHBondContact CD2-O 2.87Å; H39-L61 VanDerWaalsContact CD2-O 3.3Å; A40-L61 PolarHBondContact N-O 2.94Å; A40-L61 PolarHBondContact O-N 3.38Å; F42-L61 HydrophobicContact CD1-CB 4.17Å; L61-V63 HydrophobicContact CD1-CG2 3.74Å; L61-V63 HydrophobicContact CD2-CG2 4.08Å; L61-V63 HydrophobicContact CG-CG2 3.9Å; L61-N70 CarbonylContact C-O 3.3Å; L61-N70 WeakPolarHBondContact CA-O 3.31Å; L61-W71 HydrophobicContact CD1-CE3 3.77Å; L61-W71 HydrophobicContact CD1-CZ3 4.29Å; L61-W71 HydrophobicContact CD2-CZ3 4.2Å; L61-F112 HydrophobicContact CD1-CE1 4.31Å; L61-F112 HydrophobicContact CD1-CE2 3.58Å; L61-F112 HydrophobicContact CD1-CZ 3.33Å; L61-F112 HydrophobicContact CD2-CE2 3.59Å; L61-F112 HydrophobicContact CD2-CZ 4.22Å; L61-F112 HydrophobicContact CG-CE2 4.21Å; L61-F112 HydrophobicContact CG-CZ 4.36Å; L61-L176 HydrophobicContact CD2-CD1 4.4Å; L61-L176 HydrophobicContact CD2-CD2 4.4Å
62	W	97.8	Very high	96.3	Very high	30 Å²	30	45.2 Å²	45.2	11%	0.114	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	135.8	166.2	-62.8	-91.3	0	0	0	109.6	F38 H39 D60 F69 N70 H72 V184 K188 F189	F38-W62 WeakPolarHBondContact O-CA 3.38Å; H39-W62 HydrophobicContact CB-CG 4.47Å; H39-W62 AromaticContact CD2-CD1 3.64Å; H39-W62 AromaticContact CD2-CD2 3.83Å; H39-W62 AromaticContact CD2-CE2 3.26Å; H39-W62 AromaticContact CD2-CZ2 3.65Å; H39-W62 AromaticContact CD2-NE1 3.12Å; H39-W62 PolarHBondContact CD2-NE1 3.02Å; H39-W62 AromaticContact CG-CD1 3.83Å; H39-W62 AromaticContact CG-NE1 3.44Å; H39-W62 AromaticContact NE2-CE2 3.79Å; H39-W62 AromaticContact NE2-CZ2 3.66Å; H39-W62 AromaticContact NE2-NE1 3.93Å; D60-W62 HydrophobicContact CB-CE3 4.3Å; D60-W62 HydrophobicContact CB-CH2 3.27Å; D60-W62 HydrophobicContact CB-CZ2 3.97Å; D60-W62 HydrophobicContact CB-CZ3 3.48Å; D60-W62 VanDerWaalsContact CB-CZ3 3.48Å; W62-F69 CarbonylContact O-C 3.5Å; W62-F69 WeakPolarHBondContact O-CA 3.48Å; W62-F69 WeakPolarHBondContact O-CB 3.31Å; W62-N70 HydrophobicContact CB-CB 4.26Å; W62-N70 HydrophobicContact CE3-CB 3.95Å; W62-N70 PolarHBondContact N-O 2.99Å; W62-N70 PolarHBondContact O-N 3.07Å; W62-H72 HydrophobicContact CZ3-CB 4.04Å; W62-V184 HydrophobicContact CB-CG1 4.13Å; W62-V184 HydrophobicContact CG-CG1 4.12Å; W62-K188 HydrophobicContact CB-CB 4.5Å; W62-K188 HydrophobicContact CD2-CD 3.96Å; W62-K188 HydrophobicContact CD2-CG 4.41Å; W62-K188 HydrophobicContact CE3-CD 4.35Å; W62-K188 HydrophobicContact CG-CB 4.4Å; W62-K188 HydrophobicContact CG-CD 4.3Å; W62-K188 HydrophobicContact CG-CG 4.22Å; W62-K188 HydrophobicContact CZ2-CD 4.33Å; W62-F189 HydrophobicContact CB-CE1 3.99Å; W62-F189 HydrophobicContact CB-CZ 4.33Å
63	V	97.1	Very high	96.3	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	138.4	176.7	179.9	0	0	0	0	109.4	S37 F38 L61 R65 F69 F112 A116	S37-V63 CarbonylContact C-O 3.53Å; S37-V63 WeakPolarHBondContact CA-O 3.35Å; S37-V63 WeakPolarHBondContact CB-O 3.43Å; F38-V63 HydrophobicContact CD1-CB 3.89Å; F38-V63 HydrophobicContact CD1-CG1 4.44Å; F38-V63 HydrophobicContact CD1-CG2 4.47Å; F38-V63 HydrophobicContact CE1-CB 3.5Å; F38-V63 HydrophobicContact CE1-CG1 3.89Å; F38-V63 HydrophobicContact CE1-CG2 3.71Å; F38-V63 HydrophobicContact CE2-CB 4.42Å; F38-V63 HydrophobicContact CE2-CG2 4.04Å; F38-V63 HydrophobicContact CZ-CB 3.8Å; F38-V63 HydrophobicContact CZ-CG1 4.48Å; F38-V63 HydrophobicContact CZ-CG2 3.46Å; F38-V63 VanDerWaalsContact CZ-CG2 3.46Å; F38-V63 PolarHBondContact N-O 3.13Å; F38-V63 PolarHBondContact O-N 2.77Å; L61-V63 HydrophobicContact CD1-CG2 3.74Å; L61-V63 HydrophobicContact CD2-CG2 4.08Å; L61-V63 HydrophobicContact CG-CG2 3.9Å; V63-R65 HydrophobicContact CG1-CG 4.49Å; V63-F69 HydrophobicContact CG2-CB 4.46Å; V63-F112 HydrophobicContact CG2-CE2 4.14Å; V63-F112 HydrophobicContact CG2-CZ 3.76Å; V63-A116 HydrophobicContact CG1-CB 4.41Å
64	K	96.6	Very high	96.3	Very high	88 Å²	88	42.9 Å²	42.9	38%	0.383	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	112.8	162.4	174.6	175	175	-176.4	0	108.7	N67 L68 F189	K64-N67 PolarHBondContact O-N 3.09Å; K64-L68 HydrophobicContact CB-CB 4.05Å; K64-L68 HydrophobicContact CB-CD1 4.38Å; K64-L68 HydrophobicContact CD-CD1 3.99Å; K64-L68 HydrophobicContact CG-CD1 4.21Å; K64-L68 PolarHBondContact N-O 3.33Å; K64-L68 WeakPolarHBondContact O-CA 3.39Å; K64-L68 VanDerWaalsContact O-CB 3.31Å; K64-L68 WeakPolarHBondContact O-CB 3.26Å; K64-L68 PolarHBondContact O-N 2.7Å; K64-L68 VanDerWaalsContact O-O 3.12Å; K64-F189 HydrophobicContact CB-CE1 4.25Å; K64-F189 HydrophobicContact CB-CE2 3.7Å; K64-F189 HydrophobicContact CB-CZ 3.53Å; K64-F189 HydrophobicContact CD-CE2 4.02Å
65	R	94	Very high	96.3	Very high	39 Å²	39	43.8 Å²	43.8	15%	0.147	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	147.3	-177.8	-63	-164.2	159.9	87.1	2.6	110.5	L32 V35 S36 V63 I115 A116	L32-R65 VanDerWaalsContact O-CZ 3.29Å; L32-R65 PolarHBondContact O-NH1 2.99Å; V35-R65 PolarHBondContact O-NH1 3.27Å; S36-R65 WeakPolarHBondContact O-CB 3.42Å; S36-R65 PolarHBondContact O-N 3.3Å; V63-R65 HydrophobicContact CG1-CG 4.49Å; R65-I115 PolarHBondContact NE-O 3.37Å; R65-I115 PolarHBondContact NH2-O 3.47Å; R65-A116 WeakPolarHBondContact CG-O 3.36Å
66	P	91.6	Very high	96.3	Very high	63 Å²	63	43.5 Å²	43.5	41%	0.409	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	cis	-91.6	-9.8	6.2	34.8	-34.9	0	0	0	115.2	A116 R117	P66-A116 CarbonylContact C-O 3.59Å; P66-A116 CarbonylContact O-C 3.57Å; P66-A116 VanDerWaalsContact O-C 3.3Å; P66-A116 VanDerWaalsContact O-O 3.04Å; P66-R117 WeakPolarHBondContact O-CA 3.35Å; P66-R117 WeakPolarHBondContact O-CG 3.23Å; P66-R117 PolarHBondContact O-N 2.85Å
67	N	92.5	Very high	96.2	Very high	51 Å²	51	43 Å²	43	27%	0.273	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-153.6	11.1	-162.8	61.1	-11.6	0	0	0	114.7	K64 S83 G85 L103	K64-N67 PolarHBondContact O-N 3.09Å; N67-S83 WeakPolarHBondContact O-CB 3.25Å; N67-S83 PolarHBondContact O-OG 2.95Å; N67-G85 WeakPolarHBondContact ND2-CA 3.43Å; N67-G85 PolarHBondContact ND2-O 3.14Å; N67-L103 HydrophobicContact CB-CD2 3.8Å
68	L	95.8	Very high	96.2	Very high	34 Å²	34	46.6 Å²	46.6	18%	0.178	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	128.9	175.9	-54.4	179.8	0	0	0	108.9	K64 D84 G85 F189	K64-L68 HydrophobicContact CB-CB 4.05Å; K64-L68 HydrophobicContact CB-CD1 4.38Å; K64-L68 HydrophobicContact CD-CD1 3.99Å; K64-L68 HydrophobicContact CG-CD1 4.21Å; K64-L68 PolarHBondContact N-O 3.33Å; K64-L68 WeakPolarHBondContact O-CA 3.39Å; K64-L68 VanDerWaalsContact O-CB 3.31Å; K64-L68 WeakPolarHBondContact O-CB 3.26Å; K64-L68 PolarHBondContact O-N 2.7Å; K64-L68 VanDerWaalsContact O-O 3.12Å; L68-D84 VanDerWaalsContact CD2-O 3.31Å; L68-D84 WeakPolarHBondContact CD2-O 3.11Å; L68-G85 VanDerWaalsContact CD2-N 3.32Å; L68-F189 HydrophobicContact CB-CB 4.03Å; L68-F189 HydrophobicContact CB-CD1 3.68Å; L68-F189 HydrophobicContact CB-CD2 4.14Å; L68-F189 HydrophobicContact CB-CE1 4.14Å; L68-F189 HydrophobicContact CB-CG 3.67Å; L68-F189 HydrophobicContact CD1-CB 4.4Å; L68-F189 HydrophobicContact CD1-CD2 4.11Å; L68-F189 HydrophobicContact CD1-CG 4.28Å; L68-F189 HydrophobicContact CD2-CB 4.34Å; L68-F189 HydrophobicContact CG-CB 4.5Å; L68-F189 HydrophobicContact CG-CG 4.47Å
69	F	96.4	Very high	96.1	Very high	3 Å²	3	42.9 Å²	42.9	1%	0.013	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	157.7	173.6	57.9	-91.1	0	0	0	111.1	W62 V63 L81 V82 S83 L88 L103 F112 M113	W62-F69 CarbonylContact O-C 3.5Å; W62-F69 WeakPolarHBondContact O-CA 3.48Å; W62-F69 WeakPolarHBondContact O-CB 3.31Å; V63-F69 HydrophobicContact CG2-CB 4.46Å; F69-L81 HydrophobicContact CE2-CD2 3.9Å; F69-L81 HydrophobicContact CE2-CG 4.02Å; F69-V82 WeakPolarHBondContact O-CA 3.36Å; F69-S83 PolarHBondContact N-O 2.82Å; F69-S83 PolarHBondContact O-N 2.81Å; F69-L88 HydrophobicContact CE2-CD1 3.8Å; F69-L88 HydrophobicContact CZ-CD1 3.52Å; F69-L103 HydrophobicContact CE1-CD1 4.16Å; F69-L103 HydrophobicContact CZ-CD1 4.35Å; F69-F112 HydrophobicContact CB-CE1 3.84Å; F69-F112 HydrophobicContact CB-CZ 3.98Å; F69-F112 HydrophobicContact CD1-CE1 4.06Å; F69-F112 AromaticContact CD2-CE1 3.69Å; F69-F112 HydrophobicContact CD2-CE1 3.69Å; F69-F112 HydrophobicContact CE2-CE1 4.19Å; F69-F112 AromaticContact CG-CE1 3.6Å; F69-F112 HydrophobicContact CG-CE1 3.6Å; F69-F112 HydrophobicContact CG-CZ 4.25Å; F69-M113 HydrophobicContact CD1-SD 4.16Å; F69-M113 HydrophobicContact CE1-CE 4.06Å; F69-M113 HydrophobicContact CE1-SD 3.23Å; F69-M113 WeakPolarHBondContact CE1-SD 3.45Å; F69-M113 HydrophobicContact CZ-SD 3.58Å; F69-M113 VanDerWaalsContact CZ-SD 3.58Å
70	N	97.2	Very high	96	Very high	18 Å²	18	43.9 Å²	43.9	10%	0.096	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	113.9	169.3	-178.7	-30.8	0	0	0	107	L61 W62 L81 V82 K188	L61-N70 CarbonylContact C-O 3.3Å; L61-N70 WeakPolarHBondContact CA-O 3.31Å; W62-N70 HydrophobicContact CB-CB 4.26Å; W62-N70 HydrophobicContact CE3-CB 3.95Å; W62-N70 PolarHBondContact N-O 2.99Å; W62-N70 PolarHBondContact O-N 3.07Å; N70-L81 WeakPolarHBondContact CA-O 3.1Å; N70-V82 HydrophobicContact CB-CG2 4.09Å; N70-K188 WeakPolarHBondContact CB-O 3.47Å; N70-K188 PolarHBondContact ND2-O 2.81Å
71	W	96	Very high	95.9	Very high	28 Å²	28	43.9 Å²	43.9	11%	0.106	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	112	174.9	-175.5	-67.4	0	0	0	107.7	F42 L61 I80 L81 F112 F162 Y174	F42-W71 HydrophobicContact CD1-CH2 4.33Å; F42-W71 AromaticContact CD1-CZ2 3.93Å; F42-W71 HydrophobicContact CD1-CZ2 3.93Å; F42-W71 HydrophobicContact CD2-CH2 4.48Å; F42-W71 AromaticContact CD2-CZ2 3.82Å; F42-W71 HydrophobicContact CD2-CZ2 3.82Å; F42-W71 HydrophobicContact CE1-CD2 4.18Å; F42-W71 AromaticContact CE1-CE2 3.56Å; F42-W71 HydrophobicContact CE1-CG 4.46Å; F42-W71 HydrophobicContact CE1-CH2 4.47Å; F42-W71 AromaticContact CE1-CZ2 3.7Å; F42-W71 HydrophobicContact CE1-CZ2 3.7Å; F42-W71 AromaticContact CE1-NE1 3.62Å; F42-W71 AromaticContact CE2-CE2 3.96Å; F42-W71 AromaticContact CE2-CZ2 3.61Å; F42-W71 HydrophobicContact CE2-CZ2 3.61Å; F42-W71 AromaticContact CE2-NE1 3.89Å; F42-W71 HydrophobicContact CG-CH2 4.35Å; F42-W71 AromaticContact CG-CZ2 4Å; F42-W71 HydrophobicContact CG-CZ2 4Å; F42-W71 AromaticContact CZ-CD1 3.99Å; F42-W71 HydrophobicContact CZ-CD2 4.43Å; F42-W71 AromaticContact CZ-CE2 3.44Å; F42-W71 VanDerWaalsContact CZ-CE2 3.44Å; F42-W71 AromaticContact CZ-CZ2 3.56Å; F42-W71 HydrophobicContact CZ-CZ2 3.56Å; F42-W71 AromaticContact CZ-NE1 3.17Å; L61-W71 HydrophobicContact CD1-CE3 3.77Å; L61-W71 HydrophobicContact CD1-CZ3 4.29Å; L61-W71 HydrophobicContact CD2-CZ3 4.2Å; W71-I80 CarbonylContact O-C 3.59Å; W71-I80 WeakPolarHBondContact O-CA 3.32Å; W71-L81 HydrophobicContact CB-CB 4.15Å; W71-L81 PolarHBondContact N-O 2.87Å; W71-L81 PolarHBondContact O-N 2.79Å; W71-F112 HydrophobicContact CE3-CD1 4.42Å; W71-F112 HydrophobicContact CE3-CD2 4Å; W71-F112 HydrophobicContact CE3-CE1 4.43Å; W71-F112 HydrophobicContact CE3-CE2 4.03Å; W71-F112 HydrophobicContact CE3-CG 4.21Å; W71-F112 HydrophobicContact CE3-CZ 4.25Å; W71-F112 AromaticContact CZ3-CD2 3.67Å; W71-F112 HydrophobicContact CZ3-CD2 3.67Å; W71-F112 AromaticContact CZ3-CE2 3.93Å; W71-F112 HydrophobicContact CZ3-CE2 3.93Å; W71-F112 HydrophobicContact CZ3-CG 4.15Å; W71-F162 HydrophobicContact CH2-CE2 4.49Å; W71-F162 AromaticContact CH2-CZ 3.73Å; W71-F162 HydrophobicContact CH2-CZ 3.73Å; W71-F162 AromaticContact CZ3-CZ 3.78Å; W71-F162 HydrophobicContact CZ3-CZ 3.78Å; W71-Y174 AromaticContact CH2-CD1 3.37Å; W71-Y174 HydrophobicContact CH2-CD1 3.37Å; W71-Y174 AromaticContact CH2-CE1 3.5Å; W71-Y174 HydrophobicContact CH2-CE1 3.5Å; W71-Y174 HydrophobicContact CH2-CG 4.01Å; W71-Y174 AromaticContact CZ2-CD1 3.44Å; W71-Y174 HydrophobicContact CZ2-CD1 3.44Å; W71-Y174 VanDerWaalsContact CZ2-CD1 3.44Å; W71-Y174 AromaticContact CZ2-CE1 3.24Å; W71-Y174 HydrophobicContact CZ2-CE1 3.24Å; W71-Y174 HydrophobicContact CZ2-CG 4.48Å
72	H	97.5	Very high	95.9	Very high	40 Å²	40	44 Å²	44	19%	0.185	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	97.8	-177.5	-174.9	-177.6	0	0	0	109.1	G59 D60 W62 E78	G59-H72 CarbonylContact C-O 3.54Å; G59-H72 WeakPolarHBondContact CA-O 3.5Å; D60-H72 PolarHBondContact N-O 2.95Å; D60-H72 PolarHBondContact O-N 2.9Å; W62-H72 HydrophobicContact CZ3-CB 4.04Å; H72-E78 IonicContact CD2-OE1 3.63Å; H72-E78 IonicContact CE1-OE1 3.8Å; H72-E78 PolarHBondContact CE1-OE1 3.33Å; H72-E78 IonicContact NE2-OE1 3.97Å; H72-E78 PolarHBondContact NE2-OE1 3.03Å
73	M	97.1	Very high	95.8	Very high	19 Å²	19	42.5 Å²	42.5	9%	0.094	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	129.7	169.3	-170.6	157.9	76.4	0	0	108.5	F42 Q75 E78 S79	F42-M73 HydrophobicContact CZ-CB 4.26Å; M73-Q75 WeakPolarHBondContact CG-O 3.32Å; M73-E78 CarbonylContact O-C 3.5Å; M73-E78 VanDerWaalsContact O-CA 3.24Å; M73-E78 WeakPolarHBondContact O-CA 3.35Å; M73-E78 WeakPolarHBondContact O-CG 3.46Å; M73-S79 PolarHBondContact N-O 2.58Å; M73-S79 PolarHBondContact O-N 3.38Å
74	T	97.5	Very high	95.8	Very high	44 Å²	44	45.2 Å²	45.2	27%	0.27	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	-17.7	-175.7	55.5	0	0	0	0	113	Q58	Q58-T74 PolarHBondContact O-N 3.46Å; Q58-T74 PolarHBondContact O-OG1 3.14Å
75	Q	95.6	Very high	95.7	Very high	104 Å²	104	41.8 Å²	41.8	49%	0.486	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	150.1	178.8	-65.2	-68.7	-63.8	0	0	110.6	G57 Q58 M73	G57-Q75 CarbonylContact C-O 3.56Å; G57-Q75 WeakPolarHBondContact CA-O 3.48Å; Q58-Q75 HydrophobicContact CG-CB 3.65Å; Q58-Q75 HydrophobicContact CG-CG 4.01Å; Q58-Q75 PolarHBondContact N-O 3.29Å; Q58-Q75 VanDerWaalsContact N-O 3.09Å; Q58-Q75 PolarHBondContact O-N 3.19Å; M73-Q75 WeakPolarHBondContact CG-O 3.32Å
76	P	94.4	Very high	95.7	Very high	72 Å²	72	47.4 Å²	47.4	47%	0.468	25%	0.249	S	C	.	.	S	Bend	cis	-69.3	-35.4	-11.2	27.7	-35.1	0	0	0	111.7	E56	E56-P76 WeakPolarHBondContact O-CD 3.06Å
77	D	94	Very high	96	Very high	105 Å²	105	44.7 Å²	44.7	56%	0.561	23%	0.232	S	C	*	.	S	Bend	trans	-106.7	133.5	177.9	-57.2	-60.2	0	0	0	110
78	E	97.1	Very high	96.1	Very high	87 Å²	87	43.2 Å²	43.2	41%	0.407	22%	0.224	S	C	.	.			trans	-71.7	133.7	178.3	-167.6	176.7	-175.7	0	0	110.4	H72 M73 P93	H72-E78 IonicContact CD2-OE1 3.63Å; H72-E78 IonicContact CE1-OE1 3.8Å; H72-E78 PolarHBondContact CE1-OE1 3.33Å; H72-E78 IonicContact NE2-OE1 3.97Å; H72-E78 PolarHBondContact NE2-OE1 3.03Å; M73-E78 CarbonylContact O-C 3.5Å; M73-E78 VanDerWaalsContact O-CA 3.24Å; M73-E78 WeakPolarHBondContact O-CA 3.35Å; M73-E78 WeakPolarHBondContact O-CG 3.46Å; E78-P93 HydrophobicContact CB-CG 4.04Å; E78-P93 HydrophobicContact CG-CG 3.85Å; E78-P93 WeakPolarHBondContact O-CD 3.48Å
79	S	96.3	Very high	96.2	Very high	21 Å²	21	43 Å²	43	15%	0.147	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	147.7	167.3	59.7	0	0	0	0	110.9	M73 Y91	M73-S79 PolarHBondContact N-O 2.58Å; M73-S79 PolarHBondContact O-N 3.38Å; S79-Y91 WeakPolarHBondContact CA-O 3.07Å
80	I	96.9	Very high	96.2	Very high	26 Å²	26	47 Å²	47	13%	0.133	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	126.1	-175.5	-56.8	-174	0	0	0	108.9	W71 V82 F90 Y91	W71-I80 CarbonylContact O-C 3.59Å; W71-I80 WeakPolarHBondContact O-CA 3.32Å; I80-V82 HydrophobicContact CG2-CG2 3.61Å; I80-F90 CarbonylContact O-C 3.49Å; I80-F90 WeakPolarHBondContact O-CA 3.29Å; I80-Y91 HydrophobicContact CB-CD1 4.28Å; I80-Y91 HydrophobicContact CD1-CD1 4Å; I80-Y91 HydrophobicContact CD1-CE1 4.44Å; I80-Y91 HydrophobicContact CG1-CD1 4.27Å; I80-Y91 PolarHBondContact N-O 3.03Å; I80-Y91 PolarHBondContact O-N 3.34Å
81	L	95.8	Very high	96.2	Very high	49 Å²	49	47 Å²	47	26%	0.257	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	110.6	172	-169.9	77.8	0	0	0	109.3	F69 N70 W71 L88 W89 F90	F69-L81 HydrophobicContact CE2-CD2 3.9Å; F69-L81 HydrophobicContact CE2-CG 4.02Å; N70-L81 WeakPolarHBondContact CA-O 3.1Å; W71-L81 HydrophobicContact CB-CB 4.15Å; W71-L81 PolarHBondContact N-O 2.87Å; W71-L81 PolarHBondContact O-N 2.79Å; L81-L88 HydrophobicContact CD1-CD1 3.69Å; L81-L88 HydrophobicContact CD1-CD2 4.21Å; L81-L88 HydrophobicContact CD1-CG 3.92Å; L81-L88 HydrophobicContact CD2-CD1 4.23Å; L81-L88 HydrophobicContact CG-CD1 3.72Å; L81-L88 HydrophobicContact CG-CG 4.49Å; L81-W89 CarbonylContact C-O 3.5Å; L81-W89 VanDerWaalsContact CA-O 3.29Å; L81-W89 WeakPolarHBondContact CA-O 3.41Å; L81-F90 HydrophobicContact CD1-CB 3.9Å; L81-F90 HydrophobicContact CD1-CD2 4.09Å; L81-F90 HydrophobicContact CD1-CG 4.49Å
82	V	96.8	Very high	96.2	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.012	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	133.4	-176.1	171.8	0	0	0	0	110.1	F69 N70 I80 W89 F191	F69-V82 WeakPolarHBondContact O-CA 3.36Å; N70-V82 HydrophobicContact CB-CG2 4.09Å; I80-V82 HydrophobicContact CG2-CG2 3.61Å; V82-W89 HydrophobicContact CB-CB 4.41Å; V82-W89 PolarHBondContact N-O 2.92Å; V82-W89 PolarHBondContact O-N 2.86Å; V82-F191 HydrophobicContact CB-CB 4.3Å; V82-F191 HydrophobicContact CG1-CB 4.21Å
83	S	95.9	Very high	96.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	126.9	164.6	-168.2	0	0	0	0	112.2	N67 F69 G85 T87 L103	N67-S83 WeakPolarHBondContact O-CB 3.25Å; N67-S83 PolarHBondContact O-OG 2.95Å; F69-S83 PolarHBondContact N-O 2.82Å; F69-S83 PolarHBondContact O-N 2.81Å; S83-G85 VanDerWaalsContact C-N 3.25Å; S83-G85 PolarHBondContact OG-N 3.18Å; S83-T87 WeakPolarHBondContact CA-O 3.36Å; S83-T87 PolarHBondContact OG-O 2.94Å; S83-L103 WeakPolarHBondContact OG-CD2 3.43Å
84	D	96.8	Very high	96.1	Very high	57 Å²	57	54.7 Å²	54.7	31%	0.305	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	7.1	170.5	67.1	28.3	0	0	0	112.6	L68 K86 T87 F189	L68-D84 VanDerWaalsContact CD2-O 3.31Å; L68-D84 WeakPolarHBondContact CD2-O 3.11Å; D84-K86 VanDerWaalsContact C-N 3.33Å; D84-K86 WeakPolarHBondContact OD1-CA 3.23Å; D84-K86 PolarHBondContact OD1-N 2.81Å; D84-T87 PolarHBondContact N-O 2.76Å; D84-T87 PolarHBondContact OD1-N 3.19Å; D84-T87 VanDerWaalsContact OD2-CB 3.26Å; D84-T87 WeakPolarHBondContact OD2-CB 3.29Å; D84-T87 PolarHBondContact OD2-OG1 3.36Å; D84-F189 WeakPolarHBondContact CA-O 3.47Å; D84-F189 WeakPolarHBondContact CB-O 3.44Å
85	G	94.4	Very high	96.1	Very high	15 Å²	15	56.4 Å²	56.4	16%	0.155	29%	0.286	C	S	.	.	S	Bend	trans	89.5	-9.9	-177.8	0	0	0	0	0	114.3	N67 L68 S83	N67-G85 WeakPolarHBondContact ND2-CA 3.43Å; N67-G85 PolarHBondContact ND2-O 3.14Å; L68-G85 VanDerWaalsContact CD2-N 3.32Å; S83-G85 VanDerWaalsContact C-N 3.25Å; S83-G85 PolarHBondContact OG-N 3.18Å
86	K	94.9	Very high	96.2	Very high	157 Å²	157	56.9 Å²	56.9	68%	0.683	29%	0.288	S	S	*	.	S	Bend	trans	-126.6	-49.5	174.1	-65.7	-177.9	179.9	179.3	0	112.2	D84 L103	D84-K86 VanDerWaalsContact C-N 3.33Å; D84-K86 WeakPolarHBondContact OD1-CA 3.23Å; D84-K86 PolarHBondContact OD1-N 2.81Å; K86-L103 VanDerWaalsContact O-CB 3.31Å; K86-L103 WeakPolarHBondContact O-CB 3.36Å; K86-L103 PolarHBondContact O-N 2.94Å
87	T	96.3	Very high	96.3	Very high	6 Å²	6	57.2 Å²	57.2	4%	0.037	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	142.3	175.2	-42.8	0	0	0	0	109.4	S83 D84 W89 A100 T101 R203	S83-T87 WeakPolarHBondContact CA-O 3.36Å; S83-T87 PolarHBondContact OG-O 2.94Å; D84-T87 PolarHBondContact N-O 2.76Å; D84-T87 PolarHBondContact OD1-N 3.19Å; D84-T87 VanDerWaalsContact OD2-CB 3.26Å; D84-T87 WeakPolarHBondContact OD2-CB 3.29Å; D84-T87 PolarHBondContact OD2-OG1 3.36Å; T87-W89 HydrophobicContact CG2-CD2 3.98Å; T87-W89 VanDerWaalsContact CG2-CE2 3.49Å; T87-W89 HydrophobicContact CG2-CG 4.13Å; T87-W89 HydrophobicContact CG2-CZ2 3.97Å; T87-W89 VanDerWaalsContact CG2-NE1 3.31Å; T87-A100 HydrophobicContact CG2-CB 3.98Å; T87-T101 CarbonylContact C-O 3.59Å; T87-T101 WeakPolarHBondContact CA-O 2.99Å; T87-R203 PolarHBondContact OG1-NH1 2.82Å; T87-R203 VanDerWaalsContact OG1-NH1 3.1Å
88	L	95.7	Very high	96.5	Very high	21 Å²	21	52.2 Å²	52.2	11%	0.11	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	118.4	161.9	-179.4	63.9	0	0	0	107.7	F69 L81 T101 L103 A106	F69-L88 HydrophobicContact CE2-CD1 3.8Å; F69-L88 HydrophobicContact CZ-CD1 3.52Å; L81-L88 HydrophobicContact CD1-CD1 3.69Å; L81-L88 HydrophobicContact CD1-CD2 4.21Å; L81-L88 HydrophobicContact CD1-CG 3.92Å; L81-L88 HydrophobicContact CD2-CD1 4.23Å; L81-L88 HydrophobicContact CG-CD1 3.72Å; L81-L88 HydrophobicContact CG-CG 4.49Å; L88-T101 PolarHBondContact N-O 3.19Å; L88-T101 PolarHBondContact O-N 3.46Å; L88-T101 PolarHBondContact O-OG1 2.95Å; L88-L103 HydrophobicContact CB-CD1 4.26Å; L88-L103 HydrophobicContact CD1-CD1 4.48Å; L88-A106 HydrophobicContact CD2-CB 3.45Å; L88-A106 VanDerWaalsContact CD2-CB 3.45Å
89	W	97.2	Very high	96.6	Very high	28 Å²	28	49.3 Å²	49.3	11%	0.106	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	124.5	176.2	-63.9	93.4	0	0	0	108.8	L81 V82 T87 T99 A100 F191 P193 V199	L81-W89 CarbonylContact C-O 3.5Å; L81-W89 VanDerWaalsContact CA-O 3.29Å; L81-W89 WeakPolarHBondContact CA-O 3.41Å; V82-W89 HydrophobicContact CB-CB 4.41Å; V82-W89 PolarHBondContact N-O 2.92Å; V82-W89 PolarHBondContact O-N 2.86Å; T87-W89 HydrophobicContact CG2-CD2 3.98Å; T87-W89 VanDerWaalsContact CG2-CE2 3.49Å; T87-W89 HydrophobicContact CG2-CG 4.13Å; T87-W89 HydrophobicContact CG2-CZ2 3.97Å; T87-W89 VanDerWaalsContact CG2-NE1 3.31Å; W89-T99 WeakPolarHBondContact CA-O 3.32Å; W89-A100 HydrophobicContact CD2-CB 4.3Å; W89-A100 HydrophobicContact CE3-CB 3.81Å; W89-A100 HydrophobicContact CH2-CB 3.94Å; W89-A100 HydrophobicContact CZ2-CB 4.39Å; W89-A100 HydrophobicContact CZ3-CB 3.64Å; W89-F191 HydrophobicContact CB-CB 3.95Å; W89-F191 HydrophobicContact CB-CD1 3.93Å; W89-F191 HydrophobicContact CB-CG 3.96Å; W89-F191 HydrophobicContact CD2-CB 4.12Å; W89-F191 AromaticContact CD2-CD1 3.54Å; W89-F191 HydrophobicContact CD2-CD1 3.54Å; W89-F191 HydrophobicContact CD2-CE1 4.39Å; W89-F191 HydrophobicContact CD2-CG 4.2Å; W89-F191 AromaticContact CE3-CD1 3.45Å; W89-F191 HydrophobicContact CE3-CD1 3.45Å; W89-F191 VanDerWaalsContact CE3-CD1 3.45Å; W89-F191 AromaticContact CE3-CE1 3.87Å; W89-F191 HydrophobicContact CE3-CE1 3.87Å; W89-F191 HydrophobicContact CE3-CG 4.49Å; W89-F191 HydrophobicContact CG-CB 3.67Å; W89-F191 AromaticContact CG-CD1 3.77Å; W89-F191 HydrophobicContact CG-CD1 3.77Å; W89-F191 AromaticContact CG-CG 3.97Å; W89-F191 HydrophobicContact CG-CG 3.97Å; W89-F191 HydrophobicContact CZ3-CD1 4.11Å; W89-F191 HydrophobicContact CZ3-CE1 4.4Å; W89-P193 HydrophobicContact CZ3-CG 4.43Å; W89-V199 HydrophobicContact CZ3-CG1 4.02Å
90	F	96.4	Very high	96.6	Very high	88 Å²	88	48.3 Å²	48.3	39%	0.386	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	126.9	164.4	175.1	-108.6	0	0	0	108.1	I80 L81 N92 A98 T99	I80-F90 CarbonylContact O-C 3.49Å; I80-F90 WeakPolarHBondContact O-CA 3.29Å; L81-F90 HydrophobicContact CD1-CB 3.9Å; L81-F90 HydrophobicContact CD1-CD2 4.09Å; L81-F90 HydrophobicContact CD1-CG 4.49Å; F90-N92 HydrophobicContact CE1-CB 4.2Å; F90-N92 HydrophobicContact CZ-CB 4.36Å; F90-A98 CarbonylContact O-C 3.58Å; F90-A98 WeakPolarHBondContact O-CA 3.43Å; F90-T99 PolarHBondContact N-O 2.98Å; F90-T99 PolarHBondContact O-N 2.75Å
91	Y	97.7	Very high	96.6	Very high	18 Å²	18	48.8 Å²	48.8	7%	0.071	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	127.4	178.5	169.2	-127	0	0	0	109.8	S79 I80 P93 Q97 A98 F191 V197	S79-Y91 WeakPolarHBondContact CA-O 3.07Å; I80-Y91 HydrophobicContact CB-CD1 4.28Å; I80-Y91 HydrophobicContact CD1-CD1 4Å; I80-Y91 HydrophobicContact CD1-CE1 4.44Å; I80-Y91 HydrophobicContact CG1-CD1 4.27Å; I80-Y91 PolarHBondContact N-O 3.03Å; I80-Y91 PolarHBondContact O-N 3.34Å; Y91-P93 HydrophobicContact CD1-CG 4.07Å; Y91-P93 HydrophobicContact CE1-CB 4.14Å; Y91-P93 HydrophobicContact CE1-CG 3.56Å; Y91-Q97 WeakPolarHBondContact CD2-O 3.43Å; Y91-A98 HydrophobicContact CD2-CB 4.2Å; Y91-F191 AromaticContact CD1-CE2 3.81Å; Y91-F191 HydrophobicContact CD1-CE2 3.81Å; Y91-F191 HydrophobicContact CD1-CZ 4.03Å; Y91-F191 HydrophobicContact CD2-CZ 4.13Å; Y91-F191 AromaticContact CG-CE2 3.84Å; Y91-F191 HydrophobicContact CG-CE2 3.84Å; Y91-F191 AromaticContact CG-CZ 3.64Å; Y91-F191 HydrophobicContact CG-CZ 3.64Å; Y91-V197 HydrophobicContact CD2-CG1 4.07Å; Y91-V197 HydrophobicContact CE2-CB 4.49Å; Y91-V197 HydrophobicContact CE2-CG1 3.88Å; Y91-V197 HydrophobicContact CE2-CG2 3.7Å
92	N	96.9	Very high	96.5	Very high	46 Å²	46	50.2 Å²	50.2	25%	0.246	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	104.9	172.3	-174.8	-27.8	0	0	0	108.4	F90 F94 V95 E96 Q97	F90-N92 HydrophobicContact CE1-CB 4.2Å; F90-N92 HydrophobicContact CZ-CB 4.36Å; N92-F94 VanDerWaalsContact C-N 3.27Å; N92-F94 PolarHBondContact O-N 2.82Å; N92-F94 VanDerWaalsContact OD1-CB 3.32Å; N92-F94 WeakPolarHBondContact OD1-CB 3.13Å; N92-F94 PolarHBondContact OD1-N 3.14Å; N92-V95 HydrophobicContact CB-CG2 3.85Å; N92-E96 PolarHBondContact O-N 2.82Å; N92-Q97 PolarHBondContact N-O 3.47Å; N92-Q97 PolarHBondContact O-N 2.81Å
93	P	96.6	Very high	96.3	Very high	27 Å²	27	50.5 Å²	50.5	18%	0.175	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-59.4	-33.7	178.1	-21.7	30.8	0	0	0	114	E78 Y91 V95 E96	E78-P93 HydrophobicContact CB-CG 4.04Å; E78-P93 HydrophobicContact CG-CG 3.85Å; E78-P93 WeakPolarHBondContact O-CD 3.48Å; Y91-P93 HydrophobicContact CD1-CG 4.07Å; Y91-P93 HydrophobicContact CE1-CB 4.14Å; Y91-P93 HydrophobicContact CE1-CG 3.56Å; P93-V95 VanDerWaalsContact C-N 3.28Å; P93-V95 PolarHBondContact O-N 3.02Å; P93-E96 PolarHBondContact O-N 2.79Å; P93-E96 VanDerWaalsContact O-N 3.13Å
94	F	95.5	Very high	96	Very high	176 Å²	176	56.7 Å²	56.7	77%	0.772	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-62.3	-35	-175	179.5	-106.3	0	0	0	113	N92	N92-F94 VanDerWaalsContact C-N 3.27Å; N92-F94 PolarHBondContact O-N 2.82Å; N92-F94 VanDerWaalsContact OD1-CB 3.32Å; N92-F94 WeakPolarHBondContact OD1-CB 3.13Å; N92-F94 PolarHBondContact OD1-N 3.14Å
95	V	96.5	Very high	95.5	Very high	80 Å²	80	59 Å²	59	49%	0.485	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-105.1	7.7	177.5	-62.9	0	0	0	0	113	N92 P93 Q97	N92-V95 HydrophobicContact CB-CG2 3.85Å; P93-V95 VanDerWaalsContact C-N 3.28Å; P93-V95 PolarHBondContact O-N 3.02Å; V95-Q97 HydrophobicContact CG2-CB 3.82Å; V95-Q97 PolarHBondContact O-N 2.95Å
96	E	97.4	Very high	94.6	Very high	114 Å²	114	59.7 Å²	59.7	53%	0.533	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.3	43.2	-176.9	-57.6	-174.6	141.5	0	0	112.8	N92 P93 V197 T198	N92-E96 PolarHBondContact O-N 2.82Å; P93-E96 PolarHBondContact O-N 2.79Å; P93-E96 VanDerWaalsContact O-N 3.13Å; E96-V197 CarbonylContact O-C 3.58Å; E96-V197 VanDerWaalsContact O-CA 3.25Å; E96-V197 WeakPolarHBondContact O-CA 3.37Å; E96-T198 PolarHBondContact O-N 2.8Å
97	Q	98.2	Very high	93	Very high	78 Å²	78	54 Å²	54	36%	0.364	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	133.7	-176.5	-169.6	178.1	-18.6	0	0	111.8	Y91 N92 V95 T198	Y91-Q97 WeakPolarHBondContact CD2-O 3.43Å; N92-Q97 PolarHBondContact N-O 3.47Å; N92-Q97 PolarHBondContact O-N 2.81Å; V95-Q97 HydrophobicContact CG2-CB 3.82Å; V95-Q97 PolarHBondContact O-N 2.95Å; Q97-T198 WeakPolarHBondContact CA-O 3.31Å
98	A	98.4	Very high	91.1	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	138.9	169.1	0	0	0	0	0	110.9	F90 Y91 F191 V197 T198 V199 D200	F90-A98 CarbonylContact O-C 3.58Å; F90-A98 WeakPolarHBondContact O-CA 3.43Å; Y91-A98 HydrophobicContact CD2-CB 4.2Å; A98-F191 HydrophobicContact CB-CE1 3.71Å; A98-F191 HydrophobicContact CB-CZ 4.01Å; A98-V197 HydrophobicContact CB-CG1 3.89Å; A98-T198 PolarHBondContact N-O 3.39Å; A98-V199 CarbonylContact O-C 3.5Å; A98-V199 WeakPolarHBondContact O-CA 3.48Å; A98-D200 PolarHBondContact O-N 2.94Å
99	T	97.4	Very high	89.1	Confident	27 Å²	27	61.8 Å²	61.8	17%	0.166	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	130.6	172.9	-58.6	0	0	0	0	109.4	W89 F90 T101 D200 Q202	W89-T99 WeakPolarHBondContact CA-O 3.32Å; F90-T99 PolarHBondContact N-O 2.98Å; F90-T99 PolarHBondContact O-N 2.75Å; T99-T101 HydrophobicContact CG2-CG2 4.28Å; T99-D200 CarbonylContact C-O 3.49Å; T99-D200 VanDerWaalsContact CA-O 3.29Å; T99-D200 WeakPolarHBondContact CA-O 3.48Å; T99-Q202 HydrophobicContact CG2-CG 4.14Å
100	A	97.4	Very high	87.9	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	125.6	174	0	0	0	0	0	110.4	T87 W89 D200 Q202	T87-A100 HydrophobicContact CG2-CB 3.98Å; W89-A100 HydrophobicContact CD2-CB 4.3Å; W89-A100 HydrophobicContact CE3-CB 3.81Å; W89-A100 HydrophobicContact CH2-CB 3.94Å; W89-A100 HydrophobicContact CZ2-CB 4.39Å; W89-A100 HydrophobicContact CZ3-CB 3.64Å; A100-D200 PolarHBondContact N-O 2.82Å; A100-Q202 WeakPolarHBondContact O-CA 3.35Å; A100-Q202 WeakPolarHBondContact O-CB 3.24Å; A100-Q202 PolarHBondContact O-N 2.74Å
101	T	95.7	Very high	87	Confident	36 Å²	36	60.3 Å²	60.3	22%	0.221	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	160.1	172.7	55.3	0	0	0	0	110	T87 L88 T99 Q202	T87-T101 CarbonylContact C-O 3.59Å; T87-T101 WeakPolarHBondContact CA-O 2.99Å; L88-T101 PolarHBondContact N-O 3.19Å; L88-T101 PolarHBondContact O-N 3.46Å; L88-T101 PolarHBondContact O-OG1 2.95Å; T99-T101 HydrophobicContact CG2-CG2 4.28Å; T101-Q202 HydrophobicContact CG2-CB 4.13Å
102	W	94.9	Very high	86.4	Confident	79 Å²	79	60.4 Å²	60.4	30%	0.299	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	131	169.9	-65.5	123.8	0	0	0	110.1	K104 D105 A106 R203 K204	W102-K104 HydrophobicContact CB-CG 3.78Å; W102-K104 PolarHBondContact O-N 3.32Å; W102-D105 WeakPolarHBondContact CB-OD2 3.28Å; W102-D105 PolarHBondContact O-N 2.86Å; W102-A106 PolarHBondContact O-N 3.31Å; W102-R203 HydrophobicContact CD2-CB 4.04Å; W102-R203 HydrophobicContact CD2-CG 3.81Å; W102-R203 HydrophobicContact CE3-CG 4.16Å; W102-R203 HydrophobicContact CG-CB 4.41Å; W102-R203 HydrophobicContact CG-CG 4.12Å; W102-R203 HydrophobicContact CH2-CB 4.41Å; W102-R203 HydrophobicContact CZ2-CB 3.77Å; W102-R203 HydrophobicContact CZ2-CG 4.26Å; W102-K204 PolarHBondContact NE1-O 2.97Å
103	L	92.2	Very high	85.8	Confident	8 Å²	8	58.4 Å²	58.4	4%	0.042	32%	0.315	C	S	.	.	H	α-helix	trans	-55.1	-40.5	179.1	-177.7	66.4	0	0	0	111.6	N67 F69 S83 K86 L88 D105 A106 T107 M113	N67-L103 HydrophobicContact CB-CD2 3.8Å; F69-L103 HydrophobicContact CE1-CD1 4.16Å; F69-L103 HydrophobicContact CZ-CD1 4.35Å; S83-L103 WeakPolarHBondContact OG-CD2 3.43Å; K86-L103 VanDerWaalsContact O-CB 3.31Å; K86-L103 WeakPolarHBondContact O-CB 3.36Å; K86-L103 PolarHBondContact O-N 2.94Å; L88-L103 HydrophobicContact CB-CD1 4.26Å; L88-L103 HydrophobicContact CD1-CD1 4.48Å; L103-D105 PolarHBondContact O-N 2.69Å; L103-D105 VanDerWaalsContact O-N 3.16Å; L103-A106 PolarHBondContact O-N 3.49Å; L103-A106 VanDerWaalsContact O-N 3.1Å; L103-T107 HydrophobicContact CG-CG2 4.24Å; L103-T107 WeakPolarHBondContact O-CG2 3.15Å; L103-T107 PolarHBondContact O-N 2.82Å; L103-M113 HydrophobicContact CD1-CE 3.7Å; L103-M113 HydrophobicContact CD1-SD 4.19Å; L103-M113 HydrophobicContact CD2-CE 4.36Å; L103-M113 HydrophobicContact CG-CE 4.22Å
104	K	89	Confident	85.5	Confident	130 Å²	130	57.9 Å²	57.9	57%	0.565	31%	0.311	S	S	*	.	H	α-helix	trans	-53.5	-35.1	177.7	56.2	170.2	-173.4	72.9	0	112.7	W102 T107	W102-K104 HydrophobicContact CB-CG 3.78Å; W102-K104 PolarHBondContact O-N 3.32Å; K104-T107 PolarHBondContact O-OG1 3.27Å
105	D	86.9	Confident	85.3	Confident	106 Å²	106	49.6 Å²	49.6	57%	0.567	27%	0.274	S	S	*	.	H	α-helix	trans	-85.2	-22.3	-175.6	-57.7	-27.2	0	0	0	111.7	W102 L103	W102-D105 WeakPolarHBondContact CB-OD2 3.28Å; W102-D105 PolarHBondContact O-N 2.86Å; L103-D105 PolarHBondContact O-N 2.69Å; L103-D105 VanDerWaalsContact O-N 3.16Å
106	A	76.3	Confident	85	Confident	28 Å²	28	45.8 Å²	45.8	23%	0.231	25%	0.251	C	S	.	.	H	α-helix	trans	-83.6	-16.4	176.1	0	0	0	0	0	113.9	L88 W102 L103 G108	L88-A106 HydrophobicContact CD2-CB 3.45Å; L88-A106 VanDerWaalsContact CD2-CB 3.45Å; W102-A106 PolarHBondContact O-N 3.31Å; L103-A106 PolarHBondContact O-N 3.49Å; L103-A106 VanDerWaalsContact O-N 3.1Å; A106-G108 PolarHBondContact O-N 3.05Å; A106-G108 VanDerWaalsContact O-N 3.07Å
107	T	60.3	Low	84.6	Confident	39 Å²	39	43.6 Å²	43.6	24%	0.239	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-9.6	-166.5	58	0	0	0	0	116.1	L103 K104 M113	L103-T107 HydrophobicContact CG-CG2 4.24Å; L103-T107 WeakPolarHBondContact O-CG2 3.15Å; L103-T107 PolarHBondContact O-N 2.82Å; K104-T107 PolarHBondContact O-OG1 3.27Å; T107-M113 HydrophobicContact CG2-CE 3.82Å
108	G	56.8	Low	84.4	Confident	62 Å²	62	40 Å²	40	64%	0.639	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-24.4	-175.9	0	0	0	0	0	115.8	A106	A106-G108 PolarHBondContact O-N 3.05Å; A106-G108 VanDerWaalsContact O-N 3.07Å
109	N	53.9	Low	84.1	Confident	128 Å²	128	44.1 Å²	44.1	68%	0.684	24%	0.241	S	C	*	.	S	Bend	trans	-124.9	1.7	-155.1	-72.7	-11.3	0	0	0	116.7
110	T	70.8	Confident	83.8	Confident	68 Å²	68	45.5 Å²	45.5	42%	0.417	25%	0.252	S	S	.	.			trans	-124.9	121.1	-176	63.4	0	0	0	0	111.9	F112 M113	T110-F112 PolarHBondContact O-N 3.41Å; T110-F112 VanDerWaalsContact O-N 3.13Å; T110-M113 WeakPolarHBondContact O-CB 3.36Å; T110-M113 PolarHBondContact O-N 2.88Å; T110-M113 WeakPolarHBondContact OG1-CG 3.32Å
111	P	78.2	Confident	83.5	Confident	17 Å²	17	48.6 Å²	48.6	11%	0.11	27%	0.273	C	S	.	.	H	α-helix	trans	-62.6	-23.1	-179.1	-28	38.1	0	0	0	114.7	M113 L114 I115 L146 F149 A164	P111-M113 VanDerWaalsContact C-N 3.28Å; P111-M113 PolarHBondContact O-N 3.42Å; P111-L114 WeakPolarHBondContact O-CB 3.32Å; P111-L114 PolarHBondContact O-N 2.89Å; P111-I115 PolarHBondContact O-N 2.88Å; P111-L146 HydrophobicContact CG-CD1 3.59Å; P111-L146 HydrophobicContact CG-CD2 3.99Å; P111-L146 HydrophobicContact CG-CG 4.44Å; P111-F149 HydrophobicContact CB-CB 4.32Å; P111-F149 HydrophobicContact CB-CD1 4.45Å; P111-F149 HydrophobicContact CB-CD2 3.12Å; P111-F149 HydrophobicContact CB-CE2 3.31Å; P111-F149 HydrophobicContact CB-CG 3.75Å; P111-F149 HydrophobicContact CB-CZ 4.1Å; P111-F149 HydrophobicContact CG-CD2 3.92Å; P111-F149 HydrophobicContact CG-CE2 4.48Å; P111-F149 HydrophobicContact CG-CG 4.44Å; P111-A164 HydrophobicContact CG-CB 3.7Å
112	F	84.9	Confident	83.2	Confident	19 Å²	19	47.4 Å²	47.4	8%	0.083	27%	0.265	C	S	.	.	H	α-helix	trans	-60.3	-35.7	170.8	178.5	-102.4	0	0	0	112.7	L61 V63 F69 W71 T110 L114 I115 A116 F162	L61-F112 HydrophobicContact CD1-CE1 4.31Å; L61-F112 HydrophobicContact CD1-CE2 3.58Å; L61-F112 HydrophobicContact CD1-CZ 3.33Å; L61-F112 HydrophobicContact CD2-CE2 3.59Å; L61-F112 HydrophobicContact CD2-CZ 4.22Å; L61-F112 HydrophobicContact CG-CE2 4.21Å; L61-F112 HydrophobicContact CG-CZ 4.36Å; V63-F112 HydrophobicContact CG2-CE2 4.14Å; V63-F112 HydrophobicContact CG2-CZ 3.76Å; F69-F112 HydrophobicContact CB-CE1 3.84Å; F69-F112 HydrophobicContact CB-CZ 3.98Å; F69-F112 HydrophobicContact CD1-CE1 4.06Å; F69-F112 AromaticContact CD2-CE1 3.69Å; F69-F112 HydrophobicContact CD2-CE1 3.69Å; F69-F112 HydrophobicContact CE2-CE1 4.19Å; F69-F112 AromaticContact CG-CE1 3.6Å; F69-F112 HydrophobicContact CG-CE1 3.6Å; F69-F112 HydrophobicContact CG-CZ 4.25Å; W71-F112 HydrophobicContact CE3-CD1 4.42Å; W71-F112 HydrophobicContact CE3-CD2 4Å; W71-F112 HydrophobicContact CE3-CE1 4.43Å; W71-F112 HydrophobicContact CE3-CE2 4.03Å; W71-F112 HydrophobicContact CE3-CG 4.21Å; W71-F112 HydrophobicContact CE3-CZ 4.25Å; W71-F112 AromaticContact CZ3-CD2 3.67Å; W71-F112 HydrophobicContact CZ3-CD2 3.67Å; W71-F112 AromaticContact CZ3-CE2 3.93Å; W71-F112 HydrophobicContact CZ3-CE2 3.93Å; W71-F112 HydrophobicContact CZ3-CG 4.15Å; T110-F112 PolarHBondContact O-N 3.41Å; T110-F112 VanDerWaalsContact O-N 3.13Å; F112-L114 VanDerWaalsContact C-N 3.27Å; F112-L114 PolarHBondContact O-N 3.3Å; F112-I115 WeakPolarHBondContact O-CB 3.39Å; F112-I115 PolarHBondContact O-N 3.44Å; F112-I115 VanDerWaalsContact O-N 3.15Å; F112-A116 HydrophobicContact CE1-CB 4.47Å; F112-A116 PolarHBondContact O-N 3.05Å; F112-F162 HydrophobicContact CD2-CZ 4.15Å
113	M	85.3	Confident	83.1	Confident	5 Å²	5	43.9 Å²	43.9	3%	0.025	25%	0.252	C	S	.	.	H	α-helix	trans	-65.1	-30.6	176.5	-74.4	-59.7	-59.8	0	0	112.8	F69 L103 T107 T110 P111 I115 A116 R117	F69-M113 HydrophobicContact CD1-SD 4.16Å; F69-M113 HydrophobicContact CE1-CE 4.06Å; F69-M113 HydrophobicContact CE1-SD 3.23Å; F69-M113 WeakPolarHBondContact CE1-SD 3.45Å; F69-M113 HydrophobicContact CZ-SD 3.58Å; F69-M113 VanDerWaalsContact CZ-SD 3.58Å; L103-M113 HydrophobicContact CD1-CE 3.7Å; L103-M113 HydrophobicContact CD1-SD 4.19Å; L103-M113 HydrophobicContact CD2-CE 4.36Å; L103-M113 HydrophobicContact CG-CE 4.22Å; T107-M113 HydrophobicContact CG2-CE 3.82Å; T110-M113 WeakPolarHBondContact O-CB 3.36Å; T110-M113 PolarHBondContact O-N 2.88Å; T110-M113 WeakPolarHBondContact OG1-CG 3.32Å; P111-M113 VanDerWaalsContact C-N 3.28Å; P111-M113 PolarHBondContact O-N 3.42Å; M113-I115 VanDerWaalsContact C-N 3.33Å; M113-A116 PolarHBondContact O-N 3.48Å; M113-R117 HydrophobicContact CE-CG 4.15Å; M113-R117 VanDerWaalsContact O-CB 3.24Å; M113-R117 WeakPolarHBondContact O-CB 3.38Å; M113-R117 VanDerWaalsContact O-CG 3.28Å; M113-R117 WeakPolarHBondContact O-CG 3.29Å; M113-R117 PolarHBondContact O-N 3.08Å
114	L	89	Confident	83.1	Confident	16 Å²	16	49.9 Å²	49.9	8%	0.084	28%	0.28	C	S	.	.	H	α-helix	trans	-62.7	-43.6	173.9	-57.6	171.6	0	0	0	110.6	P111 F112 N118 D122 W123 Y126 F149	P111-L114 WeakPolarHBondContact O-CB 3.32Å; P111-L114 PolarHBondContact O-N 2.89Å; F112-L114 VanDerWaalsContact C-N 3.27Å; F112-L114 PolarHBondContact O-N 3.3Å; L114-N118 PolarHBondContact O-N 3.14Å; L114-D122 HydrophobicContact CD2-CB 3.87Å; L114-W123 HydrophobicContact CB-CH2 3.67Å; L114-W123 HydrophobicContact CB-CZ3 3.72Å; L114-W123 HydrophobicContact CD1-CZ3 4.39Å; L114-W123 WeakPolarHBondContact O-CH2 3.16Å; L114-W123 VanDerWaalsContact O-CZ2 3.31Å; L114-W123 WeakPolarHBondContact O-CZ2 3.35Å; L114-Y126 HydrophobicContact CD1-CE1 4.37Å; L114-Y126 HydrophobicContact CD1-CE2 3.98Å; L114-Y126 HydrophobicContact CD2-CE2 4.05Å; L114-F149 HydrophobicContact CD1-CD1 4.47Å
115	I	92.1	Very high	83.2	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-62	-47.4	177.4	-64.2	171	0	0	0	111.3	R65 P111 F112 M113 F149 I151 I159 F162	R65-I115 PolarHBondContact NE-O 3.37Å; R65-I115 PolarHBondContact NH2-O 3.47Å; P111-I115 PolarHBondContact O-N 2.88Å; F112-I115 WeakPolarHBondContact O-CB 3.39Å; F112-I115 PolarHBondContact O-N 3.44Å; F112-I115 VanDerWaalsContact O-N 3.15Å; M113-I115 VanDerWaalsContact C-N 3.33Å; I115-F149 HydrophobicContact CD1-CE2 4.47Å; I115-F149 HydrophobicContact CD1-CZ 3.82Å; I115-F149 HydrophobicContact CG1-CZ 3.97Å; I115-I151 HydrophobicContact CD1-CD1 3.95Å; I115-I151 HydrophobicContact CG1-CD1 3.8Å; I115-I159 HydrophobicContact CG2-CD1 3.32Å; I115-F162 HydrophobicContact CD1-CB 4.11Å; I115-F162 HydrophobicContact CD1-CD1 3.76Å; I115-F162 HydrophobicContact CD1-CD2 4.15Å; I115-F162 HydrophobicContact CD1-CE1 4.18Å; I115-F162 HydrophobicContact CD1-CG 3.74Å
116	A	89.7	Confident	83.5	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-67	-42.3	-177.2	0	0	0	0	0	111.9	V63 R65 P66 F112 M113	V63-A116 HydrophobicContact CG1-CB 4.41Å; R65-A116 WeakPolarHBondContact CG-O 3.36Å; P66-A116 CarbonylContact C-O 3.59Å; P66-A116 CarbonylContact O-C 3.57Å; P66-A116 VanDerWaalsContact O-C 3.3Å; P66-A116 VanDerWaalsContact O-O 3.04Å; F112-A116 HydrophobicContact CE1-CB 4.47Å; F112-A116 PolarHBondContact O-N 3.05Å; M113-A116 PolarHBondContact O-N 3.48Å
117	R	90.4	Very high	84.4	Confident	69 Å²	69	47.5 Å²	47.5	26%	0.26	26%	0.263	S	S	.	.	H	α-helix	trans	-73.9	-43.6	-178.6	-73.1	168.8	54.7	135.3	-6	113.9	P66 M113 Q119 D122	P66-R117 WeakPolarHBondContact O-CA 3.35Å; P66-R117 WeakPolarHBondContact O-CG 3.23Å; P66-R117 PolarHBondContact O-N 2.85Å; M113-R117 HydrophobicContact CE-CG 4.15Å; M113-R117 VanDerWaalsContact O-CB 3.24Å; M113-R117 WeakPolarHBondContact O-CB 3.38Å; M113-R117 VanDerWaalsContact O-CG 3.28Å; M113-R117 WeakPolarHBondContact O-CG 3.29Å; M113-R117 PolarHBondContact O-N 3.08Å; R117-Q119 VanDerWaalsContact C-N 3.28Å; R117-Q119 HydrophobicContact CB-CG 4.15Å; R117-Q119 PolarHBondContact O-N 2.94Å; R117-Q119 PolarHBondContact O-NE2 3.15Å; R117-D122 IonicContact CZ-OD1 3.66Å; R117-D122 IonicContact CZ-OD2 3.14Å; R117-D122 IonicContact NE-OD1 3.45Å; R117-D122 IonicContact NE-OD2 3.67Å; R117-D122 PolarHBondContact NE-OD2 2.97Å; R117-D122 IonicContact NH2-OD1 2.63Å; R117-D122 PolarHBondContact NH2-OD1 2.91Å; R117-D122 IonicContact NH2-OD2 2.92Å; R117-D122 PolarHBondContact NH2-OD2 2.82Å
118	N	93.3	Very high	86.1	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.011	25%	0.253	C	S	.	.			trans	46.3	45.5	-175.6	-165.9	30.8	0	0	0	114.5	K29 L32 D33 L114 W123	K29-N118 WeakPolarHBondContact CG-OD1 3.3Å; K29-N118 PolarHBondContact O-ND2 3.16Å; K29-N118 VanDerWaalsContact O-ND2 3.14Å; L32-N118 HydrophobicContact CB-CB 4.34Å; L32-N118 VanDerWaalsContact CB-CG 3.49Å; L32-N118 VanDerWaalsContact CB-ND2 3.31Å; L32-N118 WeakPolarHBondContact CB-ND2 3.39Å; D33-N118 PolarHBondContact N-ND2 2.88Å; D33-N118 PolarHBondContact OD1-ND2 2.94Å; L114-N118 PolarHBondContact O-N 3.14Å; N118-W123 PolarHBondContact OD1-NE1 3.4Å
119	Q	90.9	Very high	88	Confident	86 Å²	86	49.2 Å²	49.2	40%	0.402	25%	0.25	S	S	.	.			trans	-95.8	136.8	-179.4	-60.5	-60	-48.7	0	0	111.4	R117 S121 D122 W123	R117-Q119 VanDerWaalsContact C-N 3.28Å; R117-Q119 HydrophobicContact CB-CG 4.15Å; R117-Q119 PolarHBondContact O-N 2.94Å; R117-Q119 PolarHBondContact O-NE2 3.15Å; Q119-S121 PolarHBondContact O-N 3.34Å; Q119-D122 HydrophobicContact CB-CB 4.49Å; Q119-D122 WeakPolarHBondContact O-CB 3.43Å; Q119-D122 PolarHBondContact O-N 2.84Å; Q119-W123 PolarHBondContact O-N 2.7Å
120	S	92.1	Very high	90.1	Very high	57 Å²	57	46.4 Å²	46.4	40%	0.399	23%	0.233	S	C	.	.	H	α-helix	trans	-56.1	-36.5	176.6	-54.6	0	0	0	0	112.4	K29 D122 W123 Q124	K29-S120 VanDerWaalsContact CD-OG 3.26Å; K29-S120 WeakPolarHBondContact CD-OG 3.38Å; K29-S120 WeakPolarHBondContact CE-OG 3.41Å; S120-D122 PolarHBondContact O-N 3.26Å; S120-W123 PolarHBondContact O-N 3.25Å; S120-Q124 WeakPolarHBondContact O-CB 3.43Å; S120-Q124 WeakPolarHBondContact O-CG 3.4Å; S120-Q124 PolarHBondContact O-N 3.39Å
121	S	90.9	Very high	91.3	Very high	64 Å²	64	49.4 Å²	49.4	45%	0.448	25%	0.246	S	C	.	.	H	α-helix	trans	-62.9	-29.7	177.5	55.4	0	0	0	0	113.3	Q119 Q125	Q119-S121 PolarHBondContact O-N 3.34Å; S121-Q125 PolarHBondContact O-NE2 2.77Å
122	D	89.9	Confident	92.2	Very high	12 Å²	12	51 Å²	51	6%	0.064	27%	0.266	C	S	.	.	H	α-helix	trans	-77.5	-48.5	178.8	-59.2	-18.5	0	0	0	108.7	L114 R117 Q119 S120 Q124 Q125 Y126	L114-D122 HydrophobicContact CD2-CB 3.87Å; R117-D122 IonicContact CZ-OD1 3.66Å; R117-D122 IonicContact CZ-OD2 3.14Å; R117-D122 IonicContact NE-OD1 3.45Å; R117-D122 IonicContact NE-OD2 3.67Å; R117-D122 PolarHBondContact NE-OD2 2.97Å; R117-D122 IonicContact NH2-OD1 2.63Å; R117-D122 PolarHBondContact NH2-OD1 2.91Å; R117-D122 IonicContact NH2-OD2 2.92Å; R117-D122 PolarHBondContact NH2-OD2 2.82Å; Q119-D122 HydrophobicContact CB-CB 4.49Å; Q119-D122 WeakPolarHBondContact O-CB 3.43Å; Q119-D122 PolarHBondContact O-N 2.84Å; S120-D122 PolarHBondContact O-N 3.26Å; D122-Q124 VanDerWaalsContact C-N 3.27Å; D122-Q124 PolarHBondContact O-N 2.77Å; D122-Q125 WeakPolarHBondContact O-CB 3.31Å; D122-Q125 PolarHBondContact O-N 2.97Å; D122-Q125 VanDerWaalsContact O-N 3.08Å; D122-Y126 VanDerWaalsContact O-CD2 3.23Å; D122-Y126 WeakPolarHBondContact O-CD2 3.45Å; D122-Y126 WeakPolarHBondContact O-CE2 3.28Å
123	W	92.2	Very high	92.9	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.015	28%	0.276	C	S	.	.	H	α-helix	trans	-61.2	-32.9	178.8	-54.9	130.5	0	0	0	113.6	L28 L32 L114 N118 Q119 S120 Q125 Y126 I128 L137	L28-W123 HydrophobicContact CD2-CD2 4.23Å; L28-W123 HydrophobicContact CD2-CE3 3.9Å; L28-W123 HydrophobicContact CD2-CH2 4.19Å; L28-W123 HydrophobicContact CD2-CZ2 4.49Å; L28-W123 HydrophobicContact CD2-CZ3 3.89Å; L32-W123 HydrophobicContact CD1-CH2 3.99Å; L32-W123 HydrophobicContact CD1-CZ2 3.5Å; L114-W123 HydrophobicContact CB-CH2 3.67Å; L114-W123 HydrophobicContact CB-CZ3 3.72Å; L114-W123 HydrophobicContact CD1-CZ3 4.39Å; L114-W123 WeakPolarHBondContact O-CH2 3.16Å; L114-W123 VanDerWaalsContact O-CZ2 3.31Å; L114-W123 WeakPolarHBondContact O-CZ2 3.35Å; N118-W123 PolarHBondContact OD1-NE1 3.4Å; Q119-W123 PolarHBondContact O-N 2.7Å; S120-W123 PolarHBondContact O-N 3.25Å; W123-Q125 PolarHBondContact O-N 3.16Å; W123-Y126 PolarHBondContact O-N 3.1Å; W123-Y126 VanDerWaalsContact O-N 3.1Å; W123-I128 HydrophobicContact CB-CD1 4.09Å; W123-I128 HydrophobicContact CE3-CD1 4.42Å; W123-L137 HydrophobicContact CE3-CD2 3.56Å; W123-L137 HydrophobicContact CZ3-CD2 3.54Å
124	Q	91.7	Very high	93.5	Very high	134 Å²	134	55.8 Å²	55.8	63%	0.626	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-17.4	177.1	-78.3	173.1	1.3	0	0	113.9	S120 D122 Y126 K140	S120-Q124 WeakPolarHBondContact O-CB 3.43Å; S120-Q124 WeakPolarHBondContact O-CG 3.4Å; S120-Q124 PolarHBondContact O-N 3.39Å; D122-Q124 VanDerWaalsContact C-N 3.27Å; D122-Q124 PolarHBondContact O-N 2.77Å; Q124-Y126 PolarHBondContact O-N 3.19Å; Q124-K140 WeakPolarHBondContact O-CD 3.31Å; Q124-K140 WeakPolarHBondContact O-CE 3.09Å; Q124-K140 PolarHBondContact O-NZ 2.8Å
125	Q	91.2	Very high	93.9	Very high	117 Å²	117	55 Å²	55	55%	0.547	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-3.7	176.5	-61.3	175.5	52.2	0	0	112.9	S121 D122 W123 K140	S121-Q125 PolarHBondContact O-NE2 2.77Å; D122-Q125 WeakPolarHBondContact O-CB 3.31Å; D122-Q125 PolarHBondContact O-N 2.97Å; D122-Q125 VanDerWaalsContact O-N 3.08Å; W123-Q125 PolarHBondContact O-N 3.16Å; Q125-K140 WeakPolarHBondContact O-CB 3.44Å; Q125-K140 WeakPolarHBondContact O-CG 3.27Å; Q125-K140 PolarHBondContact O-N 2.83Å
126	Y	93.2	Very high	94.2	Very high	33 Å²	33	57.1 Å²	57.1	13%	0.129	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	148.3	-176.7	-60.7	-96.7	0	0	0	111.7	L114 D122 W123 Q124 L137 T138 P139 K140 L146	L114-Y126 HydrophobicContact CD1-CE1 4.37Å; L114-Y126 HydrophobicContact CD1-CE2 3.98Å; L114-Y126 HydrophobicContact CD2-CE2 4.05Å; D122-Y126 VanDerWaalsContact O-CD2 3.23Å; D122-Y126 WeakPolarHBondContact O-CD2 3.45Å; D122-Y126 WeakPolarHBondContact O-CE2 3.28Å; W123-Y126 PolarHBondContact O-N 3.1Å; W123-Y126 VanDerWaalsContact O-N 3.1Å; Q124-Y126 PolarHBondContact O-N 3.19Å; Y126-L137 HydrophobicContact CD1-CB 3.86Å; Y126-L137 HydrophobicContact CD1-CD2 4.48Å; Y126-L137 HydrophobicContact CD2-CD2 4.49Å; Y126-L137 HydrophobicContact CG-CB 4.16Å; Y126-L137 HydrophobicContact CG-CD2 4.15Å; Y126-T138 CarbonylContact C-O 3.58Å; Y126-T138 WeakPolarHBondContact CA-O 3.39Å; Y126-P139 HydrophobicContact CD1-CB 4.42Å; Y126-P139 HydrophobicContact CD1-CG 4.09Å; Y126-P139 HydrophobicContact CE1-CB 4.31Å; Y126-P139 HydrophobicContact CE1-CG 3.77Å; Y126-K140 VanDerWaalsContact O-CE 3.28Å; Y126-K140 WeakPolarHBondContact O-CE 3.49Å; Y126-L146 HydrophobicContact CE1-CD2 3.94Å
127	N	94.9	Very high	94.4	Very high	64 Å²	64	57.1 Å²	57.1	34%	0.342	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	111.3	160.5	-72	-40.1	0	0	0	107.1	W21 T138 K140	W21-N127 HydrophobicContact CE3-CB 4.18Å; W21-N127 HydrophobicContact CH2-CB 4.45Å; W21-N127 HydrophobicContact CZ3-CB 3.63Å; N127-T138 PolarHBondContact N-O 3.21Å; N127-T138 PolarHBondContact O-N 3.01Å; N127-K140 WeakPolarHBondContact OD1-CE 3.24Å
128	I	95.8	Very high	94.6	Very high	4 Å²	4	56.7 Å²	56.7	2%	0.021	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	124.3	-173.7	-49.6	-168.8	0	0	0	109.5	A24 A25 L28 W123 F135 V136 L137	A24-I128 HydrophobicContact CB-CB 4.34Å; A24-I128 HydrophobicContact CB-CG2 3.98Å; A25-I128 HydrophobicContact CB-CD1 3.87Å; L28-I128 HydrophobicContact CD2-CD1 4.2Å; W123-I128 HydrophobicContact CB-CD1 4.09Å; W123-I128 HydrophobicContact CE3-CD1 4.42Å; I128-F135 HydrophobicContact CG2-CB 4.48Å; I128-F135 HydrophobicContact CG2-CD1 4.17Å; I128-V136 WeakPolarHBondContact CA-O 3.28Å; I128-L137 HydrophobicContact CD1-CD2 3.76Å; I128-L137 HydrophobicContact CD1-CG 4.05Å; I128-L137 HydrophobicContact CG1-CD2 4.14Å; I128-L137 HydrophobicContact CG1-CG 3.94Å; I128-L137 HydrophobicContact CG2-CD1 4.47Å; I128-L137 HydrophobicContact CG2-CG 4.21Å
129	K	97.2	Very high	94.6	Very high	133 Å²	133	58 Å²	58	58%	0.578	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111	143.5	170.4	-65.1	-177.4	179.8	-179.5	0	109.2	W21 F135 V136	W21-K129 HydrophobicContact CH2-CG 4.31Å; W21-K129 HydrophobicContact CZ3-CG 3.95Å; K129-F135 CarbonylContact O-C 3.56Å; K129-F135 WeakPolarHBondContact O-CA 3.01Å; K129-V136 PolarHBondContact N-O 3.1Å; K129-V136 PolarHBondContact O-N 2.95Å
130	Q	97.7	Very high	94.7	Very high	69 Å²	69	59.8 Å²	59.8	32%	0.322	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	138.2	179.2	-179.3	-178.8	-0.6	0	0	110.9	A24 D27 G132 D134 F135	A24-Q130 HydrophobicContact CB-CB 3.82Å; D27-Q130 PolarHBondContact OD2-NE2 2.79Å; D27-Q130 PolarHBondContact OD2-OE1 3.06Å; Q130-G132 PolarHBondContact NE2-O 2.74Å; Q130-D134 CarbonylContact C-O 3.54Å; Q130-D134 WeakPolarHBondContact CA-O 3.2Å; Q130-F135 HydrophobicContact CB-CD1 3.99Å; Q130-F135 HydrophobicContact CB-CE1 3.97Å; Q130-F135 VanDerWaalsContact CD-CE1 3.41Å; Q130-F135 HydrophobicContact CG-CD1 3.99Å; Q130-F135 HydrophobicContact CG-CE1 3.62Å; Q130-F135 HydrophobicContact CG-CZ 3.94Å
131	N	97.1	Very high	94.6	Very high	131 Å²	131	59.8 Å²	59.8	70%	0.701	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.1	100.3	167.8	-178.1	23.6	0	0	0	109.2	D133 D134	N131-D133 PolarHBondContact O-N 2.8Å; N131-D133 VanDerWaalsContact O-N 3.1Å; N131-D134 PolarHBondContact N-O 2.68Å; N131-D134 PolarHBondContact O-N 3.04Å
132	G	97.2	Very high	94.2	Very high	50 Å²	50	62.3 Å²	62.3	52%	0.515	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.3	-110.6	-173.8	0	0	0	0	0	111.9	R31 Q130	R31-G132 PolarHBondContact NH2-O 3.38Å; R31-G132 VanDerWaalsContact NH2-O 3.13Å; Q130-G132 PolarHBondContact NE2-O 2.74Å
133	D	98.1	Very high	93.6	Very high	57 Å²	57	68.8 Å²	68.8	31%	0.305	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-5.7	178.8	-65.3	-12.1	0	0	0	113.1	R31 N131 F135 N152 V153	R31-D133 IonicContact CZ-OD1 3.21Å; R31-D133 IonicContact NH1-OD1 2.85Å; R31-D133 PolarHBondContact NH1-OD1 2.82Å; R31-D133 IonicContact NH2-OD1 3.29Å; N131-D133 PolarHBondContact O-N 2.8Å; N131-D133 VanDerWaalsContact O-N 3.1Å; D133-F135 WeakPolarHBondContact O-CD2 3.4Å; D133-N152 CarbonylContact O-C 3.57Å; D133-N152 VanDerWaalsContact O-CA 3.29Å; D133-N152 WeakPolarHBondContact O-CA 3.12Å; D133-V153 PolarHBondContact O-N 2.85Å
134	D	98.5	Very high	93.2	Very high	69 Å²	69	70.1 Å²	70.1	37%	0.369	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	129.7	175.6	-65.6	-52	0	0	0	111.3	Q130 N131 N152	Q130-D134 CarbonylContact C-O 3.54Å; Q130-D134 WeakPolarHBondContact CA-O 3.2Å; N131-D134 PolarHBondContact N-O 2.68Å; N131-D134 PolarHBondContact O-N 3.04Å; D134-N152 WeakPolarHBondContact OD1-CB 3.47Å; D134-N152 PolarHBondContact OD1-ND2 3.42Å
135	F	98	Very high	92.8	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	131.8	172.7	-60.4	-98.5	0	0	0	109.4	A24 D27 L28 I128 K129 Q130 D133 L137 T150 I151 V153	A24-F135 WeakPolarHBondContact O-CE1 3.43Å; D27-F135 HydrophobicContact CB-CE1 4.44Å; L28-F135 HydrophobicContact CB-CD1 3.73Å; L28-F135 HydrophobicContact CB-CE1 3.66Å; L28-F135 HydrophobicContact CB-CG 4.29Å; L28-F135 HydrophobicContact CB-CZ 4.2Å; L28-F135 HydrophobicContact CD1-CB 4.49Å; L28-F135 HydrophobicContact CD1-CD1 4.3Å; L28-F135 HydrophobicContact CD1-CD2 3.98Å; L28-F135 HydrophobicContact CD1-CE2 4.28Å; L28-F135 HydrophobicContact CD1-CG 3.99Å; L28-F135 HydrophobicContact CD2-CB 4.47Å; L28-F135 HydrophobicContact CD2-CD1 4.45Å; L28-F135 HydrophobicContact CD2-CG 4.48Å; L28-F135 HydrophobicContact CG-CD1 4.37Å; L28-F135 HydrophobicContact CG-CG 4.48Å; I128-F135 HydrophobicContact CG2-CB 4.48Å; I128-F135 HydrophobicContact CG2-CD1 4.17Å; K129-F135 CarbonylContact O-C 3.56Å; K129-F135 WeakPolarHBondContact O-CA 3.01Å; Q130-F135 HydrophobicContact CB-CD1 3.99Å; Q130-F135 HydrophobicContact CB-CE1 3.97Å; Q130-F135 VanDerWaalsContact CD-CE1 3.41Å; Q130-F135 HydrophobicContact CG-CD1 3.99Å; Q130-F135 HydrophobicContact CG-CE1 3.62Å; Q130-F135 HydrophobicContact CG-CZ 3.94Å; D133-F135 WeakPolarHBondContact O-CD2 3.4Å; F135-L137 HydrophobicContact CB-CD1 4.01Å; F135-T150 CarbonylContact O-C 3.56Å; F135-T150 VanDerWaalsContact O-CA 3.27Å; F135-T150 WeakPolarHBondContact O-CA 3.47Å; F135-I151 HydrophobicContact CB-CG2 3.77Å; F135-I151 HydrophobicContact CD2-CG2 4.49Å; F135-I151 HydrophobicContact CG-CG2 4.47Å; F135-I151 PolarHBondContact N-O 3.13Å; F135-I151 PolarHBondContact O-N 3.29Å; F135-V153 HydrophobicContact CD2-CG1 3.68Å; F135-V153 HydrophobicContact CE2-CG1 3.43Å; F135-V153 VanDerWaalsContact CE2-CG1 3.43Å; F135-V153 HydrophobicContact CZ-CG1 4.41Å
136	V	97.4	Very high	92.8	Very high	44 Å²	44	63.2 Å²	63.2	27%	0.267	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	119.3	176.5	-179.7	0	0	0	0	108.3	I128 K129 Q148 T150	I128-V136 WeakPolarHBondContact CA-O 3.28Å; K129-V136 PolarHBondContact N-O 3.1Å; K129-V136 PolarHBondContact O-N 2.95Å; V136-Q148 HydrophobicContact CG1-CG 3.99Å; V136-T150 HydrophobicContact CG1-CG2 4.46Å; V136-T150 HydrophobicContact CG2-CG2 4.19Å
137	L	95.4	Very high	92.8	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	123.5	-177.3	-64.7	81.6	0	0	0	109.3	L28 W123 Y126 I128 F135 F149 I151	L28-L137 HydrophobicContact CD2-CD1 4.22Å; L28-L137 HydrophobicContact CD2-CD2 4.13Å; W123-L137 HydrophobicContact CE3-CD2 3.56Å; W123-L137 HydrophobicContact CZ3-CD2 3.54Å; Y126-L137 HydrophobicContact CD1-CB 3.86Å; Y126-L137 HydrophobicContact CD1-CD2 4.48Å; Y126-L137 HydrophobicContact CD2-CD2 4.49Å; Y126-L137 HydrophobicContact CG-CB 4.16Å; Y126-L137 HydrophobicContact CG-CD2 4.15Å; I128-L137 HydrophobicContact CD1-CD2 3.76Å; I128-L137 HydrophobicContact CD1-CG 4.05Å; I128-L137 HydrophobicContact CG1-CD2 4.14Å; I128-L137 HydrophobicContact CG1-CG 3.94Å; I128-L137 HydrophobicContact CG2-CD1 4.47Å; I128-L137 HydrophobicContact CG2-CG 4.21Å; F135-L137 HydrophobicContact CB-CD1 4.01Å; L137-F149 HydrophobicContact CB-CB 4.26Å; L137-F149 HydrophobicContact CB-CD1 4.19Å; L137-F149 HydrophobicContact CD1-CD1 3.73Å; L137-F149 HydrophobicContact CD1-CE1 4.2Å; L137-F149 HydrophobicContact CD2-CD1 4.04Å; L137-F149 HydrophobicContact CG-CD1 4.18Å; L137-F149 PolarHBondContact N-O 3.41Å; L137-F149 PolarHBondContact O-N 2.8Å; L137-I151 HydrophobicContact CD1-CG2 4Å
138	T	94.8	Very high	92.8	Very high	60 Å²	60	65.6 Å²	65.6	37%	0.368	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	123.6	173.2	-57.6	0	0	0	0	108.6	Y126 N127 K140	Y126-T138 CarbonylContact C-O 3.58Å; Y126-T138 WeakPolarHBondContact CA-O 3.39Å; N127-T138 PolarHBondContact N-O 3.21Å; N127-T138 PolarHBondContact O-N 3.01Å; T138-K140 PolarHBondContact O-N 3.13Å
139	P	93.2	Very high	92.8	Very high	29 Å²	29	65.4 Å²	65.4	19%	0.188	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.7	138.7	177.2	-26.9	34.8	0	0	0	112	Y126 A141 L146	Y126-P139 HydrophobicContact CD1-CB 4.42Å; Y126-P139 HydrophobicContact CD1-CG 4.09Å; Y126-P139 HydrophobicContact CE1-CB 4.31Å; Y126-P139 HydrophobicContact CE1-CG 3.77Å; P139-A141 VanDerWaalsContact C-N 3.33Å; P139-A141 VanDerWaalsContact CB-O 3.28Å; P139-A141 WeakPolarHBondContact CB-O 3.29Å; P139-L146 HydrophobicContact CG-CB 4.46Å; P139-L146 HydrophobicContact CG-CD2 4.34Å; P139-L146 HydrophobicContact CG-CG 4.46Å; P139-L146 WeakPolarHBondContact CG-O 3.43Å
140	K	93.1	Very high	92.8	Very high	124 Å²	124	60.8 Å²	60.8	54%	0.539	35%	0.354	S	S	.	.	S	Bend	trans	-73.5	-29.5	172.8	-71.1	175.5	178.7	170.2	0	112	Q124 Q125 Y126 N127 T138	Q124-K140 WeakPolarHBondContact O-CD 3.31Å; Q124-K140 WeakPolarHBondContact O-CE 3.09Å; Q124-K140 PolarHBondContact O-NZ 2.8Å; Q125-K140 WeakPolarHBondContact O-CB 3.44Å; Q125-K140 WeakPolarHBondContact O-CG 3.27Å; Q125-K140 PolarHBondContact O-N 2.83Å; Y126-K140 VanDerWaalsContact O-CE 3.28Å; Y126-K140 WeakPolarHBondContact O-CE 3.49Å; N127-K140 WeakPolarHBondContact OD1-CE 3.24Å; T138-K140 PolarHBondContact O-N 3.13Å
141	A	90.1	Very high	92.8	Very high	57 Å²	57	57.5 Å²	57.5	47%	0.471	34%	0.339	S	S	.	.	S	Bend	trans	-101.1	142.3	175	0	0	0	0	0	110.4	P139 N143	P139-A141 VanDerWaalsContact C-N 3.33Å; P139-A141 VanDerWaalsContact CB-O 3.28Å; P139-A141 WeakPolarHBondContact CB-O 3.29Å; A141-N143 WeakPolarHBondContact CB-OD1 3.16Å
142	S	80.5	Confident	92.9	Very high	118 Å²	118	52.4 Å²	52.4	83%	0.825	31%	0.311	S	S	*	.	S	Bend	trans	-98.6	17	-177.2	62.6	0	0	0	0	113.9
143	N	79.2	Confident	92.9	Very high	147 Å²	147	50 Å²	50	79%	0.786	29%	0.287	S	S	*	.	S	Bend	trans	-97.5	2	-174.1	64.8	-24.3	0	0	0	114.1	A141	A141-N143 WeakPolarHBondContact CB-OD1 3.16Å
144	G	81.9	Confident	92.9	Very high	32 Å²	32	47.5 Å²	47.5	33%	0.33	27%	0.274	S	S	.	.	S	Bend	trans	-102.9	164.6	176.8	0	0	0	0	0	112.9	L146 Q167	G144-L146 PolarHBondContact O-N 3.45Å; G144-Q167 PolarHBondContact O-NE2 2.86Å
145	N	85.3	Confident	92.9	Very high	82 Å²	82	53.1 Å²	53.1	44%	0.439	29%	0.29	S	S	.	.	S	Bend	trans	-73.1	-15.4	177.4	-169.4	41	0	0	0	113.5	E166 Q167	N145-E166 PolarHBondContact ND2-OE2 2.85Å; N145-E166 CarbonylContact O-C 3.45Å; N145-E166 WeakPolarHBondContact O-CA 3.42Å; N145-Q167 PolarHBondContact O-N 2.7Å
146	L	90.5	Very high	92.9	Very high	25 Å²	25	57.5 Å²	57.5	13%	0.131	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	126.6	179.9	-172.5	70.5	0	0	0	110.8	P111 Y126 P139 G144 Q148 F149 A164 Q167	P111-L146 HydrophobicContact CG-CD1 3.59Å; P111-L146 HydrophobicContact CG-CD2 3.99Å; P111-L146 HydrophobicContact CG-CG 4.44Å; Y126-L146 HydrophobicContact CE1-CD2 3.94Å; P139-L146 HydrophobicContact CG-CB 4.46Å; P139-L146 HydrophobicContact CG-CD2 4.34Å; P139-L146 HydrophobicContact CG-CG 4.46Å; P139-L146 WeakPolarHBondContact CG-O 3.43Å; G144-L146 PolarHBondContact O-N 3.45Å; L146-Q148 WeakPolarHBondContact CD1-O 3.47Å; L146-F149 HydrophobicContact CD1-CB 4.49Å; L146-F149 HydrophobicContact CD2-CB 4.05Å; L146-A164 HydrophobicContact CD1-CB 3.98Å; L146-Q167 PolarHBondContact O-NE2 2.92Å
147	K	93.1	Very high	92.8	Very high	86 Å²	86	55.5 Å²	55.5	37%	0.374	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-43.4	172.6	-175.8	176.6	-176.6	174.5	0	111.7	V165 E166 D169	K147-V165 WeakPolarHBondContact CA-O 3.34Å; K147-V165 HydrophobicContact CB-CG1 4.38Å; K147-V165 WeakPolarHBondContact CB-O 3.41Å; K147-V165 HydrophobicContact CD-CG1 4.25Å; K147-V165 PolarHBondContact N-O 2.89Å; K147-E166 WeakPolarHBondContact CB-O 3.39Å; K147-D169 VanDerWaalsContact NZ-CG 3.27Å; K147-D169 IonicContact NZ-OD1 2.7Å; K147-D169 PolarHBondContact NZ-OD1 2.85Å; K147-D169 IonicContact NZ-OD2 2.82Å; K147-D169 PolarHBondContact NZ-OD2 2.7Å; K147-D169 VanDerWaalsContact NZ-OD2 3.14Å
148	Q	94.8	Very high	93	Very high	61 Å²	61	56.4 Å²	56.4	29%	0.285	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	144.2	179.3	-177.5	178	61.7	0	0	110.4	V136 L146 T150 V165	V136-Q148 HydrophobicContact CG1-CG 3.99Å; L146-Q148 WeakPolarHBondContact CD1-O 3.47Å; Q148-T150 HydrophobicContact CG-CG2 4.33Å; Q148-V165 HydrophobicContact CB-CB 4.25Å; Q148-V165 HydrophobicContact CB-CG2 4.42Å; Q148-V165 PolarHBondContact N-O 2.82Å; Q148-V165 PolarHBondContact O-N 3.23Å
149	F	95.5	Very high	93.1	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	140	167.2	172	-114.5	0	0	0	109.8	P111 L114 I115 L137 L146 I151 F162 S163	P111-F149 HydrophobicContact CB-CB 4.32Å; P111-F149 HydrophobicContact CB-CD1 4.45Å; P111-F149 HydrophobicContact CB-CD2 3.12Å; P111-F149 HydrophobicContact CB-CE2 3.31Å; P111-F149 HydrophobicContact CB-CG 3.75Å; P111-F149 HydrophobicContact CB-CZ 4.1Å; P111-F149 HydrophobicContact CG-CD2 3.92Å; P111-F149 HydrophobicContact CG-CE2 4.48Å; P111-F149 HydrophobicContact CG-CG 4.44Å; L114-F149 HydrophobicContact CD1-CD1 4.47Å; I115-F149 HydrophobicContact CD1-CE2 4.47Å; I115-F149 HydrophobicContact CD1-CZ 3.82Å; I115-F149 HydrophobicContact CG1-CZ 3.97Å; L137-F149 HydrophobicContact CB-CB 4.26Å; L137-F149 HydrophobicContact CB-CD1 4.19Å; L137-F149 HydrophobicContact CD1-CD1 3.73Å; L137-F149 HydrophobicContact CD1-CE1 4.2Å; L137-F149 HydrophobicContact CD2-CD1 4.04Å; L137-F149 HydrophobicContact CG-CD1 4.18Å; L137-F149 PolarHBondContact N-O 3.41Å; L137-F149 PolarHBondContact O-N 2.8Å; L146-F149 HydrophobicContact CD1-CB 4.49Å; L146-F149 HydrophobicContact CD2-CB 4.05Å; F149-I151 HydrophobicContact CE1-CB 3.89Å; F149-I151 HydrophobicContact CE1-CG2 3.92Å; F149-I151 HydrophobicContact CZ-CB 3.9Å; F149-I151 HydrophobicContact CZ-CG2 4.43Å; F149-F162 HydrophobicContact CE2-CB 3.76Å; F149-F162 HydrophobicContact CE2-CD2 4.03Å; F149-F162 HydrophobicContact CE2-CG 4.28Å; F149-F162 HydrophobicContact CZ-CB 3.96Å; F149-S163 CarbonylContact C-O 3.42Å; F149-S163 WeakPolarHBondContact CA-O 3.27Å; F149-S163 WeakPolarHBondContact CD2-O 3.06Å
150	T	97.4	Very high	93.4	Very high	35 Å²	35	56 Å²	56	22%	0.215	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	143.5	172.8	67.5	0	0	0	0	109.7	F135 V136 Q148 F162 S163	F135-T150 CarbonylContact O-C 3.56Å; F135-T150 VanDerWaalsContact O-CA 3.27Å; F135-T150 WeakPolarHBondContact O-CA 3.47Å; V136-T150 HydrophobicContact CG1-CG2 4.46Å; V136-T150 HydrophobicContact CG2-CG2 4.19Å; Q148-T150 HydrophobicContact CG-CG2 4.33Å; T150-F162 CarbonylContact O-C 3.57Å; T150-F162 WeakPolarHBondContact O-CA 3.27Å; T150-F162 VanDerWaalsContact O-CB 3.27Å; T150-F162 WeakPolarHBondContact O-CB 3.32Å; T150-S163 PolarHBondContact N-O 2.85Å; T150-S163 PolarHBondContact O-N 2.89Å; T150-S163 PolarHBondContact OG1-N 3.4Å; T150-S163 PolarHBondContact OG1-OG 2.85Å
151	I	98.1	Very high	93.6	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	133	172.4	-178.6	171.8	0	0	0	109.5	L28 L32 I115 F135 L137 F149 V153 I159 Q161 F162	L28-I151 HydrophobicContact CD1-CG2 3.88Å; L28-I151 HydrophobicContact CD2-CG2 4.4Å; L32-I151 HydrophobicContact CD2-CD1 4.22Å; I115-I151 HydrophobicContact CD1-CD1 3.95Å; I115-I151 HydrophobicContact CG1-CD1 3.8Å; F135-I151 HydrophobicContact CB-CG2 3.77Å; F135-I151 HydrophobicContact CD2-CG2 4.49Å; F135-I151 HydrophobicContact CG-CG2 4.47Å; F135-I151 PolarHBondContact N-O 3.13Å; F135-I151 PolarHBondContact O-N 3.29Å; L137-I151 HydrophobicContact CD1-CG2 4Å; F149-I151 HydrophobicContact CE1-CB 3.89Å; F149-I151 HydrophobicContact CE1-CG2 3.92Å; F149-I151 HydrophobicContact CZ-CB 3.9Å; F149-I151 HydrophobicContact CZ-CG2 4.43Å; I151-V153 HydrophobicContact CG1-CB 4.42Å; I151-I159 HydrophobicContact CD1-CD1 4.46Å; I151-I159 HydrophobicContact CD1-CG2 4.21Å; I151-I159 HydrophobicContact CG1-CG2 4.23Å; I151-Q161 WeakPolarHBondContact CA-O 3.35Å; I151-F162 HydrophobicContact CB-CB 4.29Å; I151-F162 HydrophobicContact CG1-CB 4.36Å
152	N	98.4	Very high	94	Very high	24 Å²	24	51.8 Å²	51.8	13%	0.128	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	117.8	167.2	-175.5	-76.9	0	0	0	108.4	D133 D134 H160 Q161	D133-N152 CarbonylContact O-C 3.57Å; D133-N152 VanDerWaalsContact O-CA 3.29Å; D133-N152 WeakPolarHBondContact O-CA 3.12Å; D134-N152 WeakPolarHBondContact OD1-CB 3.47Å; D134-N152 PolarHBondContact OD1-ND2 3.42Å; N152-H160 HydrophobicContact CB-CB 4.43Å; N152-H160 PolarHBondContact O-N 3.07Å; N152-H160 WeakPolarHBondContact OD1-CB 3.37Å; N152-H160 PolarHBondContact OD1-CD2 2.92Å; N152-Q161 HydrophobicContact CB-CG 3.47Å; N152-Q161 VanDerWaalsContact CB-CG 3.47Å; N152-Q161 PolarHBondContact N-O 3.33Å
153	V	98.3	Very high	94.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	121.9	-179.9	57.9	0	0	0	0	110.2	L28 R31 L32 D133 F135 I151 T158 I159	L28-V153 HydrophobicContact CD1-CG1 3.67Å; R31-V153 HydrophobicContact CB-CG1 4.26Å; R31-V153 HydrophobicContact CB-CG2 3.98Å; R31-V153 PolarHBondContact NH1-O 3.13Å; L32-V153 HydrophobicContact CD2-CG2 3.96Å; D133-V153 PolarHBondContact O-N 2.85Å; F135-V153 HydrophobicContact CD2-CG1 3.68Å; F135-V153 HydrophobicContact CE2-CG1 3.43Å; F135-V153 VanDerWaalsContact CE2-CG1 3.43Å; F135-V153 HydrophobicContact CZ-CG1 4.41Å; I151-V153 HydrophobicContact CG1-CB 4.42Å; V153-T158 CarbonylContact C-O 3.55Å; V153-T158 VanDerWaalsContact CA-O 3.32Å; V153-T158 WeakPolarHBondContact CA-O 3.35Å; V153-I159 HydrophobicContact CG2-CG1 4.17Å
154	G	98.1	Very high	95.5	Very high	3 Å²	3	40 Å²	40	3%	0.031	20%	0.201	C	C	.	.			trans	-62.7	161.1	177.9	0	0	0	0	0	112.3	D156 G157 T158	G154-D156 PolarHBondContact O-N 3.19Å; G154-D156 VanDerWaalsContact O-N 3.14Å; G154-G157 PolarHBondContact O-N 2.99Å; G154-T158 PolarHBondContact N-O 2.98Å
155	R	97.7	Very high	96.2	Very high	188 Å²	188	38.9 Å²	38.9	71%	0.709	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-19.4	176.6	-67.2	-174.4	-179.4	-166.4	-0.7	113.4	K34 G157	K34-R155 WeakPolarHBondContact CD-O 3.33Å; K34-R155 WeakPolarHBondContact CE-O 3.35Å; K34-R155 PolarHBondContact NZ-O 2.83Å; R155-G157 VanDerWaalsContact C-N 3.33Å
156	D	97.4	Very high	96.5	Very high	92 Å²	92	37.1 Å²	37.1	49%	0.492	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-7.7	174.4	67.1	-22.2	0	0	0	113.4	K34 G154 T158	K34-D156 WeakPolarHBondContact CB-O 3.26Å; G154-D156 PolarHBondContact O-N 3.19Å; G154-D156 VanDerWaalsContact O-N 3.14Å; D156-T158 VanDerWaalsContact CG-OG1 3.28Å; D156-T158 WeakPolarHBondContact OD1-CB 3.47Å; D156-T158 PolarHBondContact OD1-N 3.19Å; D156-T158 PolarHBondContact OD1-OG1 3.35Å; D156-T158 WeakPolarHBondContact OD2-CB 3.22Å; D156-T158 PolarHBondContact OD2-OG1 3.25Å
157	G	97.2	Very high	96.6	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.01	19%	0.19	C	C	.	.	S	Bend	trans	90.7	3.8	-176.2	0	0	0	0	0	114.7	R31 G154 R155 I159	R31-G157 WeakPolarHBondContact O-CA 3.47Å; G154-G157 PolarHBondContact O-N 2.99Å; R155-G157 VanDerWaalsContact C-N 3.33Å; G157-I159 PolarHBondContact O-N 3.2Å
158	T	98	Very high	96.6	Very high	20 Å²	20	41 Å²	41	12%	0.123	20%	0.198	C	C	.	.			trans	-69.1	127.1	173.9	-62.9	0	0	0	0	110.1	V153 G154 D156 Q179	V153-T158 CarbonylContact C-O 3.55Å; V153-T158 VanDerWaalsContact CA-O 3.32Å; V153-T158 WeakPolarHBondContact CA-O 3.35Å; G154-T158 PolarHBondContact N-O 2.98Å; D156-T158 VanDerWaalsContact CG-OG1 3.28Å; D156-T158 WeakPolarHBondContact OD1-CB 3.47Å; D156-T158 PolarHBondContact OD1-N 3.19Å; D156-T158 PolarHBondContact OD1-OG1 3.35Å; D156-T158 WeakPolarHBondContact OD2-CB 3.22Å; D156-T158 PolarHBondContact OD2-OG1 3.25Å; T158-Q179 HydrophobicContact CG2-CB 4.17Å
159	I	98	Very high	96.6	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.015	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	119.3	179.3	-58	173.5	0	0	0	107.3	L32 F38 I115 I151 V153 G157 F162 L176 Q179	L32-I159 HydrophobicContact CD2-CD1 3.7Å; L32-I159 HydrophobicContact CD2-CG1 3.89Å; F38-I159 HydrophobicContact CE1-CD1 4.29Å; F38-I159 HydrophobicContact CZ-CD1 4.18Å; I115-I159 HydrophobicContact CG2-CD1 3.32Å; I151-I159 HydrophobicContact CD1-CD1 4.46Å; I151-I159 HydrophobicContact CD1-CG2 4.21Å; I151-I159 HydrophobicContact CG1-CG2 4.23Å; V153-I159 HydrophobicContact CG2-CG1 4.17Å; G157-I159 PolarHBondContact O-N 3.2Å; I159-F162 HydrophobicContact CG2-CD1 4.34Å; I159-L176 HydrophobicContact CB-CD1 3.98Å; I159-L176 HydrophobicContact CG2-CD1 3.81Å; I159-L176 WeakPolarHBondContact O-CB 3.12Å; I159-Q179 PolarHBondContact O-OE1 2.94Å
160	H	98.2	Very high	96.7	Very high	76 Å²	76	44 Å²	44	35%	0.352	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-43.2	-179	-63.8	-68.4	0	0	0	111.6	N152 Q175 L176	N152-H160 HydrophobicContact CB-CB 4.43Å; N152-H160 PolarHBondContact O-N 3.07Å; N152-H160 WeakPolarHBondContact OD1-CB 3.37Å; N152-H160 PolarHBondContact OD1-CD2 2.92Å; H160-Q175 PolarHBondContact O-NE2 3.1Å; H160-L176 PolarHBondContact O-N 3.17Å
161	Q	98.1	Very high	96.6	Very high	86 Å²	86	46.5 Å²	46.5	40%	0.402	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	159	-179.3	54.7	175.6	-3.8	0	0	111.1	I151 N152 Y174	I151-Q161 WeakPolarHBondContact CA-O 3.35Å; N152-Q161 HydrophobicContact CB-CG 3.47Å; N152-Q161 VanDerWaalsContact CB-CG 3.47Å; N152-Q161 PolarHBondContact N-O 3.33Å; Q161-Y174 CarbonylContact C-O 3.59Å; Q161-Y174 WeakPolarHBondContact CA-O 3.32Å; Q161-Y174 VanDerWaalsContact CB-O 3.28Å; Q161-Y174 WeakPolarHBondContact CB-O 3.4Å
162	F	97.6	Very high	96.5	Very high	8 Å²	8	47.1 Å²	47.1	4%	0.035	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	154.8	167.6	60.4	-88.8	0	0	0	110.8	W71 F112 I115 F149 T150 I151 I159 Y174 L176	W71-F162 HydrophobicContact CH2-CE2 4.49Å; W71-F162 AromaticContact CH2-CZ 3.73Å; W71-F162 HydrophobicContact CH2-CZ 3.73Å; W71-F162 AromaticContact CZ3-CZ 3.78Å; W71-F162 HydrophobicContact CZ3-CZ 3.78Å; F112-F162 HydrophobicContact CD2-CZ 4.15Å; I115-F162 HydrophobicContact CD1-CB 4.11Å; I115-F162 HydrophobicContact CD1-CD1 3.76Å; I115-F162 HydrophobicContact CD1-CD2 4.15Å; I115-F162 HydrophobicContact CD1-CE1 4.18Å; I115-F162 HydrophobicContact CD1-CG 3.74Å; F149-F162 HydrophobicContact CE2-CB 3.76Å; F149-F162 HydrophobicContact CE2-CD2 4.03Å; F149-F162 HydrophobicContact CE2-CG 4.28Å; F149-F162 HydrophobicContact CZ-CB 3.96Å; T150-F162 CarbonylContact O-C 3.57Å; T150-F162 WeakPolarHBondContact O-CA 3.27Å; T150-F162 VanDerWaalsContact O-CB 3.27Å; T150-F162 WeakPolarHBondContact O-CB 3.32Å; I151-F162 HydrophobicContact CB-CB 4.29Å; I151-F162 HydrophobicContact CG1-CB 4.36Å; I159-F162 HydrophobicContact CG2-CD1 4.34Å; F162-Y174 AromaticContact CD2-CD2 3.62Å; F162-Y174 HydrophobicContact CD2-CD2 3.62Å; F162-Y174 HydrophobicContact CD2-CE2 4.41Å; F162-Y174 HydrophobicContact CD2-CG 4.21Å; F162-Y174 HydrophobicContact CE1-CG 4.32Å; F162-Y174 HydrophobicContact CE2-CD1 4.48Å; F162-Y174 AromaticContact CE2-CD2 3.13Å; F162-Y174 HydrophobicContact CE2-CD2 3.13Å; F162-Y174 AromaticContact CE2-CE2 3.76Å; F162-Y174 HydrophobicContact CE2-CE2 3.76Å; F162-Y174 AromaticContact CE2-CG 3.55Å; F162-Y174 HydrophobicContact CE2-CG 3.55Å; F162-Y174 HydrophobicContact CZ-CD1 4.34Å; F162-Y174 AromaticContact CZ-CD2 3.73Å; F162-Y174 HydrophobicContact CZ-CD2 3.73Å; F162-Y174 HydrophobicContact CZ-CE2 4.49Å; F162-Y174 AromaticContact CZ-CG 3.61Å; F162-Y174 HydrophobicContact CZ-CG 3.61Å; F162-Y174 PolarHBondContact N-O 3.29Å; F162-Y174 PolarHBondContact O-N 3.04Å; F162-L176 HydrophobicContact CE1-CD1 4.31Å; F162-L176 HydrophobicContact CE1-CD2 4.18Å; F162-L176 HydrophobicContact CE1-CG 4.3Å
163	S	96.8	Very high	96.5	Very high	7 Å²	7	47.8 Å²	47.8	5%	0.049	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	148.8	175.9	80.4	0	0	0	0	112.1	F149 T150 R171 S172	F149-S163 CarbonylContact C-O 3.42Å; F149-S163 WeakPolarHBondContact CA-O 3.27Å; F149-S163 WeakPolarHBondContact CD2-O 3.06Å; T150-S163 PolarHBondContact N-O 2.85Å; T150-S163 PolarHBondContact O-N 2.89Å; T150-S163 PolarHBondContact OG1-N 3.4Å; T150-S163 PolarHBondContact OG1-OG 2.85Å; S163-R171 PolarHBondContact OG-NH1 2.81Å; S163-S172 CarbonylContact C-O 3.53Å; S163-S172 WeakPolarHBondContact CA-O 3.32Å; S163-S172 WeakPolarHBondContact CB-O 3.32Å
164	A	95.5	Very high	96.4	Very high	11 Å²	11	49.7 Å²	49.7	9%	0.091	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	133.3	174.7	0	0	0	0	0	108.7	P111 L146 R171 S172	P111-A164 HydrophobicContact CG-CB 3.7Å; L146-A164 HydrophobicContact CD1-CB 3.98Å; A164-R171 CarbonylContact O-C 3.57Å; A164-R171 VanDerWaalsContact O-CA 3.27Å; A164-R171 WeakPolarHBondContact O-CA 3.33Å; A164-S172 PolarHBondContact N-O 3.28Å; A164-S172 PolarHBondContact O-N 2.97Å
165	V	95.5	Very high	96.4	Very high	7 Å²	7	52.7 Å²	52.7	4%	0.042	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	123.8	168.5	-174.4	0	0	0	0	107.5	K147 Q148 Q170 R171	K147-V165 WeakPolarHBondContact CA-O 3.34Å; K147-V165 HydrophobicContact CB-CG1 4.38Å; K147-V165 WeakPolarHBondContact CB-O 3.41Å; K147-V165 HydrophobicContact CD-CG1 4.25Å; K147-V165 PolarHBondContact N-O 2.89Å; Q148-V165 HydrophobicContact CB-CB 4.25Å; Q148-V165 HydrophobicContact CB-CG2 4.42Å; Q148-V165 PolarHBondContact N-O 2.82Å; Q148-V165 PolarHBondContact O-N 3.23Å; V165-Q170 CarbonylContact C-O 3.6Å; V165-Q170 WeakPolarHBondContact CA-O 3.15Å; V165-R171 HydrophobicContact CG2-CB 4.35Å; V165-R171 HydrophobicContact CG2-CG 4.2Å; V165-R171 VanDerWaalsContact CG2-CZ 3.43Å
166	E	93.1	Very high	96.5	Very high	45 Å²	45	44 Å²	44	21%	0.21	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	173.6	178.5	-67.2	178.4	-133.1	0	0	111.4	N145 K147 D168 D169 Q170	N145-E166 PolarHBondContact ND2-OE2 2.85Å; N145-E166 CarbonylContact O-C 3.45Å; N145-E166 WeakPolarHBondContact O-CA 3.42Å; K147-E166 WeakPolarHBondContact CB-O 3.39Å; E166-D168 WeakPolarHBondContact CB-OD1 3.23Å; E166-D168 PolarHBondContact O-N 3.38Å; E166-D169 PolarHBondContact O-N 2.81Å; E166-D169 VanDerWaalsContact O-N 3.13Å; E166-Q170 HydrophobicContact CB-CB 4.46Å; E166-Q170 PolarHBondContact N-O 3.03Å; E166-Q170 PolarHBondContact OE1-NE2 2.83Å
167	Q	92.1	Very high	96.5	Very high	92 Å²	92	45.5 Å²	45.5	43%	0.43	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-25.2	-178.3	-67.6	-59	-25	0	0	113.4	G144 N145 L146 D169	G144-Q167 PolarHBondContact O-NE2 2.86Å; N145-Q167 PolarHBondContact O-N 2.7Å; L146-Q167 PolarHBondContact O-NE2 2.92Å; Q167-D169 PolarHBondContact O-N 2.87Å
168	D	92.9	Very high	96.4	Very high	101 Å²	101	49.9 Å²	49.9	54%	0.54	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	10	174.6	66.4	-6.8	0	0	0	113.3	E166 Q170	E166-D168 WeakPolarHBondContact CB-OD1 3.23Å; E166-D168 PolarHBondContact O-N 3.38Å; D168-Q170 PolarHBondContact O-N 2.86Å; D168-Q170 WeakPolarHBondContact OD1-CB 3.38Å; D168-Q170 PolarHBondContact OD1-N 2.88Å
169	D	95.5	Very high	96.3	Very high	73 Å²	73	50.5 Å²	50.5	39%	0.39	25%	0.254	S	S	.	.			trans	64.7	9.9	-175.7	-75	-55.4	0	0	0	115.1	K147 E166 Q167 R171	K147-D169 VanDerWaalsContact NZ-CG 3.27Å; K147-D169 IonicContact NZ-OD1 2.7Å; K147-D169 PolarHBondContact NZ-OD1 2.85Å; K147-D169 IonicContact NZ-OD2 2.82Å; K147-D169 PolarHBondContact NZ-OD2 2.7Å; K147-D169 VanDerWaalsContact NZ-OD2 3.14Å; E166-D169 PolarHBondContact O-N 2.81Å; E166-D169 VanDerWaalsContact O-N 3.13Å; Q167-D169 PolarHBondContact O-N 2.87Å; D169-R171 PolarHBondContact O-N 2.87Å
170	Q	96.1	Very high	96.3	Very high	52 Å²	52	56.8 Å²	56.8	24%	0.243	28%	0.283	C	S	.	.			trans	-60.8	131.5	166.6	-176.5	177	-93.8	0	0	109.8	V46 T47 V165 E166 D168	V46-Q170 HydrophobicContact CG1-CG 3.86Å; T47-Q170 CarbonylContact O-C 3.43Å; T47-Q170 WeakPolarHBondContact O-CA 3.4Å; V165-Q170 CarbonylContact C-O 3.6Å; V165-Q170 WeakPolarHBondContact CA-O 3.15Å; E166-Q170 HydrophobicContact CB-CB 4.46Å; E166-Q170 PolarHBondContact N-O 3.03Å; E166-Q170 PolarHBondContact OE1-NE2 2.83Å; D168-Q170 PolarHBondContact O-N 2.86Å; D168-Q170 WeakPolarHBondContact OD1-CB 3.38Å; D168-Q170 PolarHBondContact OD1-N 2.88Å
171	R	96.8	Very high	96.2	Very high	87 Å²	87	57 Å²	57	33%	0.328	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	120.9	178	179.3	-176.6	-67	-95.1	-0.5	110.9	V46 T47 S163 A164 V165 D169	V46-R171 CarbonylContact C-O 3.59Å; V46-R171 VanDerWaalsContact CA-O 3.28Å; V46-R171 WeakPolarHBondContact CA-O 3.21Å; T47-R171 PolarHBondContact N-O 2.73Å; T47-R171 PolarHBondContact O-N 2.76Å; S163-R171 PolarHBondContact OG-NH1 2.81Å; A164-R171 CarbonylContact O-C 3.57Å; A164-R171 VanDerWaalsContact O-CA 3.27Å; A164-R171 WeakPolarHBondContact O-CA 3.33Å; V165-R171 HydrophobicContact CG2-CB 4.35Å; V165-R171 HydrophobicContact CG2-CG 4.2Å; V165-R171 VanDerWaalsContact CG2-CZ 3.43Å; D169-R171 PolarHBondContact O-N 2.87Å
172	S	95.8	Very high	96	Very high	13 Å²	13	54.6 Å²	54.6	9%	0.091	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	115.9	168.4	-68.9	0	0	0	0	110	S163 A164	S163-S172 CarbonylContact C-O 3.53Å; S163-S172 WeakPolarHBondContact CA-O 3.32Å; S163-S172 WeakPolarHBondContact CB-O 3.32Å; A164-S172 PolarHBondContact N-O 3.28Å; A164-S172 PolarHBondContact O-N 2.97Å
173	S	97.5	Very high	95.8	Very high	38 Å²	38	59.4 Å²	59.4	27%	0.266	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	137.4	-179.4	-53.1	0	0	0	0	111.1	Q44 K45	Q44-S173 CarbonylContact C-O 3.55Å; Q44-S173 VanDerWaalsContact CA-O 3.29Å; Q44-S173 WeakPolarHBondContact CA-O 3.13Å; K45-S173 PolarHBondContact N-O 3.45Å; K45-S173 PolarHBondContact O-N 3.4Å
174	Y	97.5	Very high	95.8	Very high	40 Å²	40	60.3 Å²	60.3	16%	0.157	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	125.6	-179.3	-58.6	-90.9	0	0	0	109.7	F42 T43 Q44 W71 Q161 F162	F42-Y174 HydrophobicContact CD2-CD1 4.29Å; T43-Y174 WeakPolarHBondContact O-CA 3.43Å; Q44-Y174 HydrophobicContact CB-CD1 3.87Å; Q44-Y174 HydrophobicContact CB-CE1 3.77Å; Q44-Y174 HydrophobicContact CG-CD1 3.95Å; Q44-Y174 HydrophobicContact CG-CE1 3.46Å; Q44-Y174 VanDerWaalsContact CG-CE1 3.46Å; Q44-Y174 PolarHBondContact NE2-OH 3.01Å; W71-Y174 AromaticContact CH2-CD1 3.37Å; W71-Y174 HydrophobicContact CH2-CD1 3.37Å; W71-Y174 AromaticContact CH2-CE1 3.5Å; W71-Y174 HydrophobicContact CH2-CE1 3.5Å; W71-Y174 HydrophobicContact CH2-CG 4.01Å; W71-Y174 AromaticContact CZ2-CD1 3.44Å; W71-Y174 HydrophobicContact CZ2-CD1 3.44Å; W71-Y174 VanDerWaalsContact CZ2-CD1 3.44Å; W71-Y174 AromaticContact CZ2-CE1 3.24Å; W71-Y174 HydrophobicContact CZ2-CE1 3.24Å; W71-Y174 HydrophobicContact CZ2-CG 4.48Å; Q161-Y174 CarbonylContact C-O 3.59Å; Q161-Y174 WeakPolarHBondContact CA-O 3.32Å; Q161-Y174 VanDerWaalsContact CB-O 3.28Å; Q161-Y174 WeakPolarHBondContact CB-O 3.4Å; F162-Y174 AromaticContact CD2-CD2 3.62Å; F162-Y174 HydrophobicContact CD2-CD2 3.62Å; F162-Y174 HydrophobicContact CD2-CE2 4.41Å; F162-Y174 HydrophobicContact CD2-CG 4.21Å; F162-Y174 HydrophobicContact CE1-CG 4.32Å; F162-Y174 HydrophobicContact CE2-CD1 4.48Å; F162-Y174 AromaticContact CE2-CD2 3.13Å; F162-Y174 HydrophobicContact CE2-CD2 3.13Å; F162-Y174 AromaticContact CE2-CE2 3.76Å; F162-Y174 HydrophobicContact CE2-CE2 3.76Å; F162-Y174 AromaticContact CE2-CG 3.55Å; F162-Y174 HydrophobicContact CE2-CG 3.55Å; F162-Y174 HydrophobicContact CZ-CD1 4.34Å; F162-Y174 AromaticContact CZ-CD2 3.73Å; F162-Y174 HydrophobicContact CZ-CD2 3.73Å; F162-Y174 HydrophobicContact CZ-CE2 4.49Å; F162-Y174 AromaticContact CZ-CG 3.61Å; F162-Y174 HydrophobicContact CZ-CG 3.61Å; F162-Y174 PolarHBondContact N-O 3.29Å; F162-Y174 PolarHBondContact O-N 3.04Å
175	Q	98.3	Very high	95.8	Very high	66 Å²	66	65.1 Å²	65.1	31%	0.308	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	119.5	171.7	177.5	68.4	58.5	0	0	108.3	F42 T43 H160 K177	F42-Q175 CarbonylContact C-O 3.44Å; F42-Q175 VanDerWaalsContact CA-O 3.25Å; F42-Q175 WeakPolarHBondContact CA-O 3.18Å; T43-Q175 PolarHBondContact N-O 2.83Å; T43-Q175 PolarHBondContact O-N 3.27Å; H160-Q175 PolarHBondContact O-NE2 3.1Å; Q175-K177 HydrophobicContact CG-CG 4.5Å
176	L	98.2	Very high	95.9	Very high	7 Å²	7	67.9 Å²	67.9	4%	0.037	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	143.8	174.7	-56.6	-169.9	0	0	0	110.4	F38 A40 S41 F42 L61 I159 H160 F162	F38-L176 HydrophobicContact CE2-CD1 4.37Å; A40-L176 HydrophobicContact CB-CB 4.25Å; A40-L176 HydrophobicContact CB-CD1 4.4Å; S41-L176 CarbonylContact O-C 3.6Å; S41-L176 WeakPolarHBondContact O-CA 3.36Å; F42-L176 HydrophobicContact CB-CD2 3.55Å; L61-L176 HydrophobicContact CD2-CD1 4.4Å; L61-L176 HydrophobicContact CD2-CD2 4.4Å; I159-L176 HydrophobicContact CB-CD1 3.98Å; I159-L176 HydrophobicContact CG2-CD1 3.81Å; I159-L176 WeakPolarHBondContact O-CB 3.12Å; H160-L176 PolarHBondContact O-N 3.17Å; F162-L176 HydrophobicContact CE1-CD1 4.31Å; F162-L176 HydrophobicContact CE1-CD2 4.18Å; F162-L176 HydrophobicContact CE1-CG 4.3Å
177	K	97.5	Very high	96.1	Very high	123 Å²	123	68.6 Å²	68.6	54%	0.535	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	154.3	176.9	-66.1	-177.9	-178.5	174.3	0	110.4	S41 Q175 Q179	S41-K177 PolarHBondContact N-O 3.38Å; S41-K177 PolarHBondContact O-N 3.08Å; S41-K177 PolarHBondContact OG-O 3.18Å; Q175-K177 HydrophobicContact CG-CG 4.5Å; K177-Q179 VanDerWaalsContact C-N 3.27Å; K177-Q179 PolarHBondContact O-N 3.03Å
178	S	96	Very high	96.4	Very high	92 Å²	92	67.8 Å²	67.8	64%	0.643	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	56.7	40.2	175.8	-51.6	0	0	0	0	112.9	Q180	S178-Q180 PolarHBondContact O-N 3.45Å
179	Q	96.4	Very high	96.6	Very high	34 Å²	34	63.2 Å²	63.2	16%	0.159	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	122.6	179.1	-176	174.3	-42.5	0	0	110.2	F38 H39 A40 T158 I159 K177 N181	F38-Q179 HydrophobicContact CB-CG 3.99Å; F38-Q179 HydrophobicContact CD2-CG 3.92Å; F38-Q179 HydrophobicContact CG-CG 4.18Å; H39-Q179 CarbonylContact O-C 3.52Å; H39-Q179 VanDerWaalsContact O-CA 3.26Å; H39-Q179 WeakPolarHBondContact O-CA 3.45Å; A40-Q179 HydrophobicContact CB-CB 4.22Å; T158-Q179 HydrophobicContact CG2-CB 4.17Å; I159-Q179 PolarHBondContact O-OE1 2.94Å; K177-Q179 VanDerWaalsContact C-N 3.27Å; K177-Q179 PolarHBondContact O-N 3.03Å; Q179-N181 PolarHBondContact NE2-OD1 2.84Å
180	Q	97.1	Very high	96.7	Very high	134 Å²	134	63.9 Å²	63.9	63%	0.626	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.7	111.9	175.3	-65.7	179.4	39.4	0	0	108.9	F38 H39 S178	F38-Q180 CarbonylContact C-O 3.52Å; F38-Q180 WeakPolarHBondContact CA-O 3.21Å; F38-Q180 WeakPolarHBondContact CB-O 3.39Å; H39-Q180 PolarHBondContact N-O 3.16Å; H39-Q180 PolarHBondContact O-N 3.09Å; S178-Q180 PolarHBondContact O-N 3.45Å
181	N	96.5	Very high	96.8	Very high	80 Å²	80	63 Å²	63	43%	0.428	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	138.6	176.9	-60.7	-29.6	0	0	0	109.8	V35 Q179	V35-N181 HydrophobicContact CG1-CB 4.39Å; V35-N181 WeakPolarHBondContact CG1-OD1 3.47Å; Q179-N181 PolarHBondContact NE2-OD1 2.84Å
182	G	93.8	Very high	96.8	Very high	37 Å²	37	64.3 Å²	64.3	38%	0.381	38%	0.384	S	S	.	.	S	Bend	trans	140.7	-172.2	179.1	0	0	0	0	0	113	S37 V184	S37-G182 CarbonylContact C-O 3.59Å; S37-G182 WeakPolarHBondContact CB-O 3.28Å; S37-G182 PolarHBondContact O-N 3.39Å; S37-G182 VanDerWaalsContact O-N 3.09Å; S37-G182 PolarHBondContact OG-O 2.6Å; G182-V184 PolarHBondContact O-N 2.98Å
183	A	93.8	Very high	96.7	Very high	109 Å²	109	65.7 Å²	65.7	90%	0.901	39%	0.392	S	S	*	.			trans	-62.1	130.7	-178.5	0	0	0	0	0	111.4
184	V	95.5	Very high	96.6	Very high	25 Å²	25	70.2 Å²	70.2	15%	0.152	41%	0.409	C	S	.	.			trans	-108.1	139.6	171.5	179.6	0	0	0	0	108.3	W62 G182 A186 K188 F189	W62-V184 HydrophobicContact CB-CG1 4.13Å; W62-V184 HydrophobicContact CG-CG1 4.12Å; G182-V184 PolarHBondContact O-N 2.98Å; V184-A186 PolarHBondContact O-N 3.4Å; V184-K188 HydrophobicContact CG1-CB 4.03Å; V184-K188 HydrophobicContact CG1-CG 3.91Å; V184-F189 HydrophobicContact CB-CE2 4.01Å; V184-F189 HydrophobicContact CB-CZ 3.86Å; V184-F189 HydrophobicContact CG1-CE2 3.85Å; V184-F189 HydrophobicContact CG1-CZ 3.6Å
185	D	96.3	Very high	96.5	Very high	112 Å²	112	78 Å²	78	60%	0.599	45%	0.447	S	S	*	.			trans	-54.1	130.3	175.5	-170	-24.1	0	0	0	110.8	A187 K188	D185-A187 PolarHBondContact O-N 3.36Å; D185-A187 WeakPolarHBondContact OD1-CB 3.28Å; D185-A187 PolarHBondContact OD1-N 3.13Å; D185-K188 HydrophobicContact CB-CG 4.5Å; D185-K188 WeakPolarHBondContact O-CB 3.41Å; D185-K188 PolarHBondContact O-N 3.23Å
186	A	96.6	Very high	96.3	Very high	65 Å²	65	77.4 Å²	77.4	54%	0.537	46%	0.459	S	S	.	.	G	3₁₀ helix	trans	-59.1	-29.2	179	0	0	0	0	0	112.6	V184 K188 F189	V184-A186 PolarHBondContact O-N 3.4Å; A186-K188 PolarHBondContact O-N 2.87Å; A186-K188 VanDerWaalsContact O-N 3.16Å; A186-F189 PolarHBondContact O-N 2.97Å
187	A	97.7	Very high	96.3	Very high	61 Å²	61	78 Å²	78	50%	0.504	46%	0.462	S	S	.	.	G	3₁₀ helix	trans	-60	-23.7	176.8	0	0	0	0	0	113.1	D185 F189 T190	D185-A187 PolarHBondContact O-N 3.36Å; D185-A187 WeakPolarHBondContact OD1-CB 3.28Å; D185-A187 PolarHBondContact OD1-N 3.13Å; A187-F189 PolarHBondContact O-N 3.19Å; A187-T190 PolarHBondContact O-N 2.76Å; A187-T190 PolarHBondContact O-OG1 2.95Å; A187-T190 VanDerWaalsContact O-OG1 3.04Å
188	K	97.9	Very high	96.3	Very high	75 Å²	75	76.6 Å²	76.6	33%	0.326	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-64	-26.2	174.8	-69	-67.1	-175.4	173.1	0	112.7	W62 N70 V184 D185 A186	W62-K188 HydrophobicContact CB-CB 4.5Å; W62-K188 HydrophobicContact CD2-CD 3.96Å; W62-K188 HydrophobicContact CD2-CG 4.41Å; W62-K188 HydrophobicContact CE3-CD 4.35Å; W62-K188 HydrophobicContact CG-CB 4.4Å; W62-K188 HydrophobicContact CG-CD 4.3Å; W62-K188 HydrophobicContact CG-CG 4.22Å; W62-K188 HydrophobicContact CZ2-CD 4.33Å; N70-K188 WeakPolarHBondContact CB-O 3.47Å; N70-K188 PolarHBondContact ND2-O 2.81Å; V184-K188 HydrophobicContact CG1-CB 4.03Å; V184-K188 HydrophobicContact CG1-CG 3.91Å; D185-K188 HydrophobicContact CB-CG 4.5Å; D185-K188 WeakPolarHBondContact O-CB 3.41Å; D185-K188 PolarHBondContact O-N 3.23Å; A186-K188 PolarHBondContact O-N 2.87Å; A186-K188 VanDerWaalsContact O-N 3.16Å
189	F	98	Very high	96.5	Very high	5 Å²	5	75.2 Å²	75.2	2%	0.022	45%	0.452	C	S	.	.	G	3₁₀ helix	trans	-102.9	15.2	-174	-48.4	-63.1	0	0	0	113	W62 K64 L68 D84 V184 A186 A187	W62-F189 HydrophobicContact CB-CE1 3.99Å; W62-F189 HydrophobicContact CB-CZ 4.33Å; K64-F189 HydrophobicContact CB-CE1 4.25Å; K64-F189 HydrophobicContact CB-CE2 3.7Å; K64-F189 HydrophobicContact CB-CZ 3.53Å; K64-F189 HydrophobicContact CD-CE2 4.02Å; L68-F189 HydrophobicContact CB-CB 4.03Å; L68-F189 HydrophobicContact CB-CD1 3.68Å; L68-F189 HydrophobicContact CB-CD2 4.14Å; L68-F189 HydrophobicContact CB-CE1 4.14Å; L68-F189 HydrophobicContact CB-CG 3.67Å; L68-F189 HydrophobicContact CD1-CB 4.4Å; L68-F189 HydrophobicContact CD1-CD2 4.11Å; L68-F189 HydrophobicContact CD1-CG 4.28Å; L68-F189 HydrophobicContact CD2-CB 4.34Å; L68-F189 HydrophobicContact CG-CB 4.5Å; L68-F189 HydrophobicContact CG-CG 4.47Å; D84-F189 WeakPolarHBondContact CA-O 3.47Å; D84-F189 WeakPolarHBondContact CB-O 3.44Å; V184-F189 HydrophobicContact CB-CE2 4.01Å; V184-F189 HydrophobicContact CB-CZ 3.86Å; V184-F189 HydrophobicContact CG1-CE2 3.85Å; V184-F189 HydrophobicContact CG1-CZ 3.6Å; A186-F189 PolarHBondContact O-N 2.97Å; A187-F189 PolarHBondContact O-N 3.19Å
190	T	97.6	Very high	96.5	Very high	87 Å²	87	76.5 Å²	76.5	53%	0.534	46%	0.46	S	S	.	.			trans	-118.4	142	175.1	55.9	0	0	0	0	109.3	A187	A187-T190 PolarHBondContact O-N 2.76Å; A187-T190 PolarHBondContact O-OG1 2.95Å; A187-T190 VanDerWaalsContact O-OG1 3.04Å
191	F	97.9	Very high	96.5	Very high	32 Å²	32	74 Å²	74	14%	0.14	45%	0.451	C	S	.	.			trans	-119.3	135	174.3	-177.1	-102.6	0	0	0	109.9	V82 W89 Y91 A98 P193	V82-F191 HydrophobicContact CB-CB 4.3Å; V82-F191 HydrophobicContact CG1-CB 4.21Å; W89-F191 HydrophobicContact CB-CB 3.95Å; W89-F191 HydrophobicContact CB-CD1 3.93Å; W89-F191 HydrophobicContact CB-CG 3.96Å; W89-F191 HydrophobicContact CD2-CB 4.12Å; W89-F191 AromaticContact CD2-CD1 3.54Å; W89-F191 HydrophobicContact CD2-CD1 3.54Å; W89-F191 HydrophobicContact CD2-CE1 4.39Å; W89-F191 HydrophobicContact CD2-CG 4.2Å; W89-F191 AromaticContact CE3-CD1 3.45Å; W89-F191 HydrophobicContact CE3-CD1 3.45Å; W89-F191 VanDerWaalsContact CE3-CD1 3.45Å; W89-F191 AromaticContact CE3-CE1 3.87Å; W89-F191 HydrophobicContact CE3-CE1 3.87Å; W89-F191 HydrophobicContact CE3-CG 4.49Å; W89-F191 HydrophobicContact CG-CB 3.67Å; W89-F191 AromaticContact CG-CD1 3.77Å; W89-F191 HydrophobicContact CG-CD1 3.77Å; W89-F191 AromaticContact CG-CG 3.97Å; W89-F191 HydrophobicContact CG-CG 3.97Å; W89-F191 HydrophobicContact CZ3-CD1 4.11Å; W89-F191 HydrophobicContact CZ3-CE1 4.4Å; Y91-F191 AromaticContact CD1-CE2 3.81Å; Y91-F191 HydrophobicContact CD1-CE2 3.81Å; Y91-F191 HydrophobicContact CD1-CZ 4.03Å; Y91-F191 HydrophobicContact CD2-CZ 4.13Å; Y91-F191 AromaticContact CG-CE2 3.84Å; Y91-F191 HydrophobicContact CG-CE2 3.84Å; Y91-F191 AromaticContact CG-CZ 3.64Å; Y91-F191 HydrophobicContact CG-CZ 3.64Å; A98-F191 HydrophobicContact CB-CE1 3.71Å; A98-F191 HydrophobicContact CB-CZ 4.01Å; F191-P193 HydrophobicContact CD1-CG 4.29Å; F191-P193 HydrophobicContact CE1-CB 4.17Å; F191-P193 HydrophobicContact CE1-CG 3.78Å
192	T	96.7	Very high	96.5	Very high	116 Å²	116	75.1 Å²	75.1	71%	0.712	45%	0.454	S	S	*	.			trans	-130.8	114	171.8	-61.2	0	0	0	0	106.6	Q194	T192-Q194 PolarHBondContact O-N 3.39Å
193	P	94.9	Very high	96.6	Very high	41 Å²	41	77 Å²	77	27%	0.266	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-54	132.6	176.8	-19.2	26.3	0	0	0	110.4	W89 F191 V197 V199	W89-P193 HydrophobicContact CZ3-CG 4.43Å; F191-P193 HydrophobicContact CD1-CG 4.29Å; F191-P193 HydrophobicContact CE1-CB 4.17Å; F191-P193 HydrophobicContact CE1-CG 3.78Å; P193-V197 HydrophobicContact CB-CB 4.12Å; P193-V197 HydrophobicContact CB-CG1 4.13Å; P193-V199 HydrophobicContact CB-CG2 3.85Å; P193-V199 HydrophobicContact CG-CG2 3.5Å
194	Q	94.3	Very high	96.5	Very high	133 Å²	133	83.8 Å²	83.8	62%	0.621	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-67.6	161.1	174.6	-62.8	-177.5	3.5	0	0	110.3	T192 G196 V197	T192-Q194 PolarHBondContact O-N 3.39Å; Q194-G196 PolarHBondContact O-N 2.79Å; Q194-V197 HydrophobicContact CB-CG2 4Å; Q194-V197 WeakPolarHBondContact O-CB 3.37Å; Q194-V197 PolarHBondContact O-N 3.22Å; Q194-V197 VanDerWaalsContact O-N 3.08Å
195	Q	95	Very high	96.5	Very high	203 Å²	203	86.7 Å²	86.7	95%	0.949	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	131.7	173.8	-174.3	176.6	5.1	0	0	110.1
196	G	95.6	Very high	96.5	Very high	55 Å²	55	85.4 Å²	85.4	57%	0.567	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.7	-20.2	-177.2	0	0	0	0	0	114.3	Q194 T198	Q194-G196 PolarHBondContact O-N 2.79Å; G196-T198 PolarHBondContact O-N 3.45Å
197	V	97.6	Very high	96.5	Very high	18 Å²	18	86.5 Å²	86.5	11%	0.109	46%	0.463	C	S	.	.			trans	-70.5	122.5	179.8	177.2	0	0	0	0	110.7	Y91 E96 A98 P193 Q194	Y91-V197 HydrophobicContact CD2-CG1 4.07Å; Y91-V197 HydrophobicContact CE2-CB 4.49Å; Y91-V197 HydrophobicContact CE2-CG1 3.88Å; Y91-V197 HydrophobicContact CE2-CG2 3.7Å; E96-V197 CarbonylContact O-C 3.58Å; E96-V197 VanDerWaalsContact O-CA 3.25Å; E96-V197 WeakPolarHBondContact O-CA 3.37Å; A98-V197 HydrophobicContact CB-CG1 3.89Å; P193-V197 HydrophobicContact CB-CB 4.12Å; P193-V197 HydrophobicContact CB-CG1 4.13Å; Q194-V197 HydrophobicContact CB-CG2 4Å; Q194-V197 WeakPolarHBondContact O-CB 3.37Å; Q194-V197 PolarHBondContact O-N 3.22Å; Q194-V197 VanDerWaalsContact O-N 3.08Å
198	T	98.1	Very high	96.5	Very high	95 Å²	95	88 Å²	88	58%	0.583	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.8	132.4	172	-62.9	0	0	0	0	109.7	E96 Q97 A98 G196	E96-T198 PolarHBondContact O-N 2.8Å; Q97-T198 WeakPolarHBondContact CA-O 3.31Å; A98-T198 PolarHBondContact N-O 3.39Å; G196-T198 PolarHBondContact O-N 3.45Å
199	V	98.3	Very high	96.4	Very high	62 Å²	62	88.8 Å²	88.8	38%	0.376	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	117.8	178	-177	0	0	0	0	110.3	W89 A98 P193 D201	W89-V199 HydrophobicContact CZ3-CG1 4.02Å; A98-V199 CarbonylContact O-C 3.5Å; A98-V199 WeakPolarHBondContact O-CA 3.48Å; P193-V199 HydrophobicContact CB-CG2 3.85Å; P193-V199 HydrophobicContact CG-CG2 3.5Å; V199-D201 HydrophobicContact CG1-CB 4.46Å
200	D	97.6	Very high	96.3	Very high	61 Å²	61	94.4 Å²	94.4	33%	0.326	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	95.9	166.1	176.9	25	0	0	0	109.3	A98 T99 A100 Q202	A98-D200 PolarHBondContact O-N 2.94Å; T99-D200 CarbonylContact C-O 3.49Å; T99-D200 VanDerWaalsContact CA-O 3.29Å; T99-D200 WeakPolarHBondContact CA-O 3.48Å; A100-D200 PolarHBondContact N-O 2.82Å; D200-Q202 PolarHBondContact O-N 2.77Å; D200-Q202 PolarHBondContact OD2-NE2 2.86Å
201	D	97.5	Very high	96.2	Very high	81 Å²	81	94.9 Å²	94.9	43%	0.433	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	103.3	179.9	-163.8	-13.4	0	0	0	111.2	V199 R203	V199-D201 HydrophobicContact CG1-CB 4.46Å; D201-R203 VanDerWaalsContact OD1-CB 3.24Å; D201-R203 WeakPolarHBondContact OD1-CB 3.38Å; D201-R203 WeakPolarHBondContact OD1-CG 3.34Å; D201-R203 IonicContact OD1-CZ 2.8Å; D201-R203 PolarHBondContact OD1-N 3.14Å; D201-R203 VanDerWaalsContact OD1-N 3.14Å; D201-R203 IonicContact OD1-NE 3.83Å; D201-R203 PolarHBondContact OD1-NE 2.63Å; D201-R203 IonicContact OD1-NH2 2.73Å; D201-R203 IonicContact OD2-CZ 3.98Å; D201-R203 IonicContact OD2-NE 2.68Å; D201-R203 PolarHBondContact OD2-NE 3.22Å; D201-R203 IonicContact OD2-NH2 3.49Å; D201-R203 PolarHBondContact OD2-NH2 3.46Å
202	Q	96.3	Very high	96	Very high	104 Å²	104	99.8 Å²	99.8	49%	0.486	52%	0.524	S	S	.	.			trans	-95.8	10.3	-178.2	-58	-171.4	4.6	0	0	113	T99 A100 T101 D200 K204	T99-Q202 HydrophobicContact CG2-CG 4.14Å; A100-Q202 WeakPolarHBondContact O-CA 3.35Å; A100-Q202 WeakPolarHBondContact O-CB 3.24Å; A100-Q202 PolarHBondContact O-N 2.74Å; T101-Q202 HydrophobicContact CG2-CB 4.13Å; D200-Q202 PolarHBondContact O-N 2.77Å; D200-Q202 PolarHBondContact OD2-NE2 2.86Å; Q202-K204 PolarHBondContact O-N 3.42Å
203	R	95.5	Very high	96	Very high	76 Å²	76	98.4 Å²	98.4	29%	0.287	51%	0.508	S	S	.	.			trans	-76.4	105.6	178.9	-65.8	177.5	-64.7	176.6	8.8	110.4	T87 W102 D201	T87-R203 PolarHBondContact OG1-NH1 2.82Å; T87-R203 VanDerWaalsContact OG1-NH1 3.1Å; W102-R203 HydrophobicContact CD2-CB 4.04Å; W102-R203 HydrophobicContact CD2-CG 3.81Å; W102-R203 HydrophobicContact CE3-CG 4.16Å; W102-R203 HydrophobicContact CG-CB 4.41Å; W102-R203 HydrophobicContact CG-CG 4.12Å; W102-R203 HydrophobicContact CH2-CB 4.41Å; W102-R203 HydrophobicContact CZ2-CB 3.77Å; W102-R203 HydrophobicContact CZ2-CG 4.26Å; D201-R203 VanDerWaalsContact OD1-CB 3.24Å; D201-R203 WeakPolarHBondContact OD1-CB 3.38Å; D201-R203 WeakPolarHBondContact OD1-CG 3.34Å; D201-R203 IonicContact OD1-CZ 2.8Å; D201-R203 PolarHBondContact OD1-N 3.14Å; D201-R203 VanDerWaalsContact OD1-N 3.14Å; D201-R203 IonicContact OD1-NE 3.83Å; D201-R203 PolarHBondContact OD1-NE 2.63Å; D201-R203 IonicContact OD1-NH2 2.73Å; D201-R203 IonicContact OD2-CZ 3.98Å; D201-R203 IonicContact OD2-NE 2.68Å; D201-R203 PolarHBondContact OD2-NE 3.22Å; D201-R203 IonicContact OD2-NH2 3.49Å; D201-R203 PolarHBondContact OD2-NH2 3.46Å
204	K	91.2	Very high	96.1	Very high	252 Å²	252	103.6 Å²	103.6	100%	1.096	53%	0.53	S	S	*	.			trans	-98.5	0	172.6	-63.6	-176.3	-178	177.8	0	112.2	W102 Q202	W102-K204 PolarHBondContact NE1-O 2.97Å; Q202-K204 PolarHBondContact O-N 3.42Å

Retrieved 204 of 204 residues in 1112.8 ms (Link to these results)

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