A0A3Q0KFH6_SCHMA Loading...

MORN repeat-containing protein 3

Assembles a suppression complex (suppresome) by tethering SIRT1 and MDM2 to regulate composite modifications of p53/TP53. Confers both deacetylation-mediated functional inactivation, by SIRT1, and ubiquitination-dependent degradation, by MDM2, of p53/TP53, promoting a proliferative and cell survival behaviors. May play a role in the regulation of spermatogenesis.

AlphaFold DB , UniProt , Accession A0A3Q0KFH6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 242 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	56	Low	62.2	Low	213 Å²	213	122.6 Å²	122.6	100%	1.049	63%	0.627	S	S	*	*				0	-16	0	-80.4	-175.9	-145	0	0	114
2	T	58.2	Low	63.3	Low	115 Å²	115	119.9 Å²	119.9	71%	0.706	61%	0.614	S	S	*	*	H	α-helix	trans	-69	-38.7	-175.6	22.3	0	0	0	0	115.3	R4 L5 V6	T2-R4 PolarHBondContact O-N 2.92Å; T2-L5 PolarHBondContact O-N 3.34Å; T2-V6 WeakPolarHBondContact O-CG2 3.22Å; T2-V6 PolarHBondContact O-N 3.44Å
3	S	60	Low	64.3	Low	96 Å²	96	120.9 Å²	120.9	67%	0.671	61%	0.614	S	S	*	*	H	α-helix	trans	-65.5	-36.3	-179	155.5	0	0	0	0	114.1	N7	S3-N7 WeakPolarHBondContact O-CB 3.09Å; S3-N7 PolarHBondContact O-N 3.13Å
4	R	57.4	Low	65.1	Low	208 Å²	208	120.1 Å²	120.1	79%	0.785	61%	0.607	S	S	*	*	H	α-helix	trans	-68.4	-37.4	176.7	-95.1	-175.6	175.1	179.9	-1.2	112.3	T2 I8	T2-R4 PolarHBondContact O-N 2.92Å; R4-I8 WeakPolarHBondContact O-CD1 3.35Å; R4-I8 VanDerWaalsContact O-CG1 3.24Å; R4-I8 WeakPolarHBondContact O-CG1 3.46Å; R4-I8 PolarHBondContact O-N 3.5Å; R4-I8 VanDerWaalsContact O-N 3.08Å
5	L	54.5	Low	66	Low	108 Å²	108	117.9 Å²	117.9	57%	0.565	60%	0.597	S	S	*	*	H	α-helix	trans	-68.3	-41.8	178.6	-77	159.5	0	0	0	112	T2 N7 I8 N9	T2-L5 PolarHBondContact O-N 3.34Å; L5-N7 VanDerWaalsContact C-N 3.35Å; L5-N7 PolarHBondContact O-N 3.14Å; L5-I8 PolarHBondContact O-N 3.35Å; L5-N9 PolarHBondContact O-N 3.42Å
6	V	58.5	Low	66.7	Low	101 Å²	101	117.3 Å²	117.3	61%	0.612	60%	0.595	S	S	*	*	H	α-helix	trans	-63.1	-41.1	175.7	175.8	0	0	0	0	111.5	T2 N9 S10	T2-V6 WeakPolarHBondContact O-CG2 3.22Å; T2-V6 PolarHBondContact O-N 3.44Å; V6-N9 PolarHBondContact O-N 3.11Å; V6-S10 PolarHBondContact O-N 3.49Å
7	N	60.7	Low	67.2	Low	105 Å²	105	118.2 Å²	118.2	56%	0.561	59%	0.594	S	S	*	*	H	α-helix	trans	-68.6	-39.4	-179.9	-161.3	-11.6	0	0	0	112.2	S3 L5 S10 R11	S3-N7 WeakPolarHBondContact O-CB 3.09Å; S3-N7 PolarHBondContact O-N 3.13Å; L5-N7 VanDerWaalsContact C-N 3.35Å; L5-N7 PolarHBondContact O-N 3.14Å; N7-S10 PolarHBondContact O-N 3.48Å; N7-S10 PolarHBondContact O-OG 2.94Å; N7-R11 PolarHBondContact O-N 3.03Å
8	I	63.7	Low	67.7	Low	94 Å²	94	119.9 Å²	119.9	48%	0.482	60%	0.597	S	S	.	*	H	α-helix	trans	-62.6	-43.8	174	-68.7	163.7	0	0	0	111	R4 L5 R11 L12	R4-I8 WeakPolarHBondContact O-CD1 3.35Å; R4-I8 VanDerWaalsContact O-CG1 3.24Å; R4-I8 WeakPolarHBondContact O-CG1 3.46Å; R4-I8 PolarHBondContact O-N 3.5Å; R4-I8 VanDerWaalsContact O-N 3.08Å; L5-I8 PolarHBondContact O-N 3.35Å; I8-R11 PolarHBondContact O-N 3.26Å; I8-L12 HydrophobicContact CG2-CD1 3.92Å; I8-L12 HydrophobicContact CG2-CG 4.39Å; I8-L12 WeakPolarHBondContact O-CG 3.49Å; I8-L12 PolarHBondContact O-N 2.92Å
9	N	67.7	Low	68.4	Low	92 Å²	92	117.3 Å²	117.3	49%	0.492	60%	0.596	S	S	.	*	H	α-helix	trans	-60.8	-45.6	176.4	-77.1	-4.4	0	0	0	111.6	L5 V6 R11 L12 E13	L5-N9 PolarHBondContact O-N 3.42Å; V6-N9 PolarHBondContact O-N 3.11Å; N9-R11 VanDerWaalsContact C-N 3.27Å; N9-R11 PolarHBondContact O-N 3.47Å; N9-L12 PolarHBondContact O-N 2.96Å; N9-E13 WeakPolarHBondContact O-CG 3.38Å; N9-E13 PolarHBondContact O-N 3.31Å
10	S	74	Confident	69.2	Low	47 Å²	47	113.6 Å²	113.6	33%	0.329	58%	0.578	S	S	.	*	H	α-helix	trans	-62.9	-34.7	177.8	81.3	0	0	0	0	112.9	V6 N7 E14	V6-S10 PolarHBondContact O-N 3.49Å; N7-S10 PolarHBondContact O-N 3.48Å; N7-S10 PolarHBondContact O-OG 2.94Å; S10-E14 PolarHBondContact O-N 3.46Å
11	R	73.3	Confident	69.9	Low	170 Å²	170	111.8 Å²	111.8	64%	0.642	57%	0.566	S	S	*	*	H	α-helix	trans	-72.5	-36.6	177.1	-174.8	175.9	174.3	179.3	-1	112.1	N7 I8 N9 I15	N7-R11 PolarHBondContact O-N 3.03Å; I8-R11 PolarHBondContact O-N 3.26Å; N9-R11 VanDerWaalsContact C-N 3.27Å; N9-R11 PolarHBondContact O-N 3.47Å; R11-I15 HydrophobicContact CG-CD1 4.11Å; R11-I15 WeakPolarHBondContact O-CD1 3.28Å; R11-I15 WeakPolarHBondContact O-CG1 3.42Å; R11-I15 PolarHBondContact O-N 2.87Å
12	L	75.4	Confident	71.4	Confident	90 Å²	90	104 Å²	104	47%	0.471	53%	0.529	S	S	.	.	H	α-helix	trans	-65.8	-44.3	173.3	-73.2	168.8	0	0	0	110.6	I8 N9 E14 I15 D16	I8-L12 HydrophobicContact CG2-CD1 3.92Å; I8-L12 HydrophobicContact CG2-CG 4.39Å; I8-L12 WeakPolarHBondContact O-CG 3.49Å; I8-L12 PolarHBondContact O-N 2.92Å; N9-L12 PolarHBondContact O-N 2.96Å; L12-E14 VanDerWaalsContact C-N 3.34Å; L12-E14 PolarHBondContact O-N 2.86Å; L12-I15 PolarHBondContact O-N 3.19Å; L12-I15 VanDerWaalsContact O-N 3.13Å; L12-D16 WeakPolarHBondContact O-CB 3.47Å; L12-D16 PolarHBondContact O-N 3.46Å
13	E	76.6	Confident	72.9	Confident	133 Å²	133	100.4 Å²	100.4	62%	0.621	52%	0.515	S	S	*	.	H	α-helix	trans	-58.8	-42.4	174.6	-72.5	170.8	176.1	0	0	112.1	N9 F17	N9-E13 WeakPolarHBondContact O-CG 3.38Å; N9-E13 PolarHBondContact O-N 3.31Å; E13-F17 WeakPolarHBondContact O-CB 3.47Å; E13-F17 PolarHBondContact O-N 3.24Å
14	E	75.5	Confident	74.3	Confident	109 Å²	109	102.4 Å²	102.4	51%	0.509	52%	0.517	S	S	.	.	H	α-helix	trans	-64.6	-38.8	174.1	-82.1	-170.5	-167.1	0	0	113.4	S10 L12 K18	S10-E14 PolarHBondContact O-N 3.46Å; L12-E14 VanDerWaalsContact C-N 3.34Å; L12-E14 PolarHBondContact O-N 2.86Å; E14-K18 WeakPolarHBondContact O-CB 3.23Å; E14-K18 VanDerWaalsContact O-CG 3.25Å; E14-K18 WeakPolarHBondContact O-CG 3.26Å; E14-K18 PolarHBondContact O-N 3.44Å; E14-K18 IonicContact OE2-NZ 3.56Å
15	I	78.1	Confident	75.8	Confident	88 Å²	88	97.6 Å²	97.6	45%	0.451	50%	0.499	S	S	.	.	H	α-helix	trans	-68.4	-44.3	178.9	-71.5	165.5	0	0	0	109.8	R11 L12 K18 A19	R11-I15 HydrophobicContact CG-CD1 4.11Å; R11-I15 WeakPolarHBondContact O-CD1 3.28Å; R11-I15 WeakPolarHBondContact O-CG1 3.42Å; R11-I15 PolarHBondContact O-N 2.87Å; L12-I15 PolarHBondContact O-N 3.19Å; L12-I15 VanDerWaalsContact O-N 3.13Å; I15-K18 PolarHBondContact O-N 2.89Å; I15-A19 PolarHBondContact O-N 3.12Å
16	D	77.4	Confident	77.6	Confident	108 Å²	108	99.6 Å²	99.6	58%	0.578	51%	0.51	S	S	*	.	H	α-helix	trans	-61.4	-46	176.2	-77.5	-10.2	0	0	0	110.6	L12 K18 A19 D20	L12-D16 WeakPolarHBondContact O-CB 3.47Å; L12-D16 PolarHBondContact O-N 3.46Å; D16-K18 VanDerWaalsContact C-N 3.3Å; D16-K18 PolarHBondContact O-N 3.27Å; D16-A19 WeakPolarHBondContact O-CB 3.4Å; D16-A19 PolarHBondContact O-N 3.38Å; D16-D20 PolarHBondContact O-N 2.91Å
17	F	75.3	Confident	79.3	Confident	132 Å²	132	97.4 Å²	97.4	58%	0.579	50%	0.497	S	S	*	.	H	α-helix	trans	-61.2	-37.1	175.7	-176.8	-99.8	0	0	0	112.9	E13 A19 D20	E13-F17 WeakPolarHBondContact O-CB 3.47Å; E13-F17 PolarHBondContact O-N 3.24Å; F17-A19 VanDerWaalsContact C-N 3.31Å; F17-D20 WeakPolarHBondContact O-CB 3.33Å; F17-D20 PolarHBondContact O-N 3.09Å
18	K	77.2	Confident	80.9	Confident	149 Å²	149	93.8 Å²	93.8	65%	0.648	48%	0.479	S	S	*	.	H	α-helix	trans	-72.5	-23.3	175.1	-75.1	170.5	-173.8	162.8	0	113	E14 I15 D16 D20	E14-K18 WeakPolarHBondContact O-CB 3.23Å; E14-K18 VanDerWaalsContact O-CG 3.25Å; E14-K18 WeakPolarHBondContact O-CG 3.26Å; E14-K18 PolarHBondContact O-N 3.44Å; E14-K18 IonicContact OE2-NZ 3.56Å; I15-K18 PolarHBondContact O-N 2.89Å; D16-K18 VanDerWaalsContact C-N 3.3Å; D16-K18 PolarHBondContact O-N 3.27Å; K18-D20 VanDerWaalsContact C-N 3.28Å
19	A	80.5	Confident	82.4	Confident	70 Å²	70	96.4 Å²	96.4	58%	0.579	49%	0.487	S	S	*	.	H	α-helix	trans	-74	-22.4	175.5	0	0	0	0	0	112	I15 D16 F17 K21	I15-A19 PolarHBondContact O-N 3.12Å; D16-A19 WeakPolarHBondContact O-CB 3.4Å; D16-A19 PolarHBondContact O-N 3.38Å; F17-A19 VanDerWaalsContact C-N 3.31Å; A19-K21 PolarHBondContact O-N 3.28Å
20	D	84.3	Confident	83.6	Confident	43 Å²	43	94.5 Å²	94.5	23%	0.23	48%	0.481	C	S	.	.	S	Bend	trans	-62.8	133.2	178.2	-72.9	-6.6	0	0	0	112.3	D16 F17 K18 N22 N43	D16-D20 PolarHBondContact O-N 2.91Å; F17-D20 WeakPolarHBondContact O-CB 3.33Å; F17-D20 PolarHBondContact O-N 3.09Å; K18-D20 VanDerWaalsContact C-N 3.28Å; D20-N22 WeakPolarHBondContact CB-ND2 3.41Å; D20-N22 PolarHBondContact O-N 3.36Å; D20-N22 PolarHBondContact O-ND2 3.47Å; D20-N43 WeakPolarHBondContact CA-OD1 3.24Å; D20-N43 VanDerWaalsContact CG-ND2 3.25Å; D20-N43 PolarHBondContact OD1-ND2 3.22Å
21	K	84.6	Confident	84.6	Confident	76 Å²	76	100 Å²	100	33%	0.33	51%	0.512	S	S	.	.			trans	-66.7	105.6	170.2	-61.1	175.8	-166.7	171.7	0	108	A19 W40 N43	A19-K21 PolarHBondContact O-N 3.28Å; K21-W40 HydrophobicContact CB-CB 3.84Å; K21-W40 HydrophobicContact CB-CD2 3.86Å; K21-W40 HydrophobicContact CB-CE3 3.81Å; K21-W40 HydrophobicContact CB-CG 3.9Å; K21-W40 HydrophobicContact CD-CD2 3.97Å; K21-W40 HydrophobicContact CD-CE3 3.78Å; K21-W40 HydrophobicContact CD-CH2 4.16Å; K21-W40 HydrophobicContact CD-CZ2 4.32Å; K21-W40 HydrophobicContact CD-CZ3 3.87Å; K21-W40 HydrophobicContact CG-CE3 4.47Å; K21-W40 VanDerWaalsContact O-CB 3.22Å; K21-W40 WeakPolarHBondContact O-CB 3.46Å; K21-N43 PolarHBondContact N-OD1 3.46Å; K21-N43 PolarHBondContact O-N 2.99Å
22	N	87.5	Confident	85.6	Confident	50 Å²	50	96 Å²	96	27%	0.267	50%	0.504	S	S	.	.			trans	-123.4	153.8	170.8	-70.7	-60.2	0	0	0	110	D20 R25 W40 K41 D42	D20-N22 WeakPolarHBondContact CB-ND2 3.41Å; D20-N22 PolarHBondContact O-N 3.36Å; D20-N22 PolarHBondContact O-ND2 3.47Å; N22-R25 PolarHBondContact O-NE 2.92Å; N22-R25 VanDerWaalsContact O-NE 3.09Å; N22-W40 CarbonylContact C-O 3.58Å; N22-W40 WeakPolarHBondContact CA-O 3.15Å; N22-K41 WeakPolarHBondContact OD1-CA 3.47Å; N22-D42 PolarHBondContact OD1-N 3.04Å
23	G	89	Confident	86.5	Confident	39 Å²	39	92.9 Å²	92.9	40%	0.402	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	71.7	-170.2	177.5	0	0	0	0	0	114.2	R25 W40	G23-R25 PolarHBondContact O-N 3.33Å; G23-W40 PolarHBondContact N-O 3.47Å; G23-W40 PolarHBondContact O-N 3.24Å
24	L	90.3	Very high	87.5	Confident	138 Å²	138	87 Å²	87	72%	0.723	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.8	127.8	176.6	-174.6	66.4	0	0	0	110.2	E39	L24-E39 HydrophobicContact CD1-CG 4.21Å
25	R	88	Confident	88.6	Confident	107 Å²	107	84.7 Å²	84.7	40%	0.404	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	150	175.2	-61	-65.8	-175.4	160.5	6.3	110.4	N22 G23 G38 W40	N22-R25 PolarHBondContact O-NE 2.92Å; N22-R25 VanDerWaalsContact O-NE 3.09Å; G23-R25 PolarHBondContact O-N 3.33Å; R25-G38 PolarHBondContact N-O 2.86Å; R25-W40 VanDerWaalsContact CG-CD1 3.46Å; R25-W40 HydrophobicContact CG-CG 4.11Å
26	N	92	Very high	89.5	Confident	150 Å²	150	80.7 Å²	80.7	80%	0.802	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.2	174.1	161.5	-71.3	-23.4	0	0	0	110.4	V28	N26-V28 PolarHBondContact O-N 3.27Å
27	T	94.1	Very high	90.5	Very high	55 Å²	55	78.3 Å²	78.3	34%	0.337	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	121	-177.8	-49.2	0	0	0	0	112.8	F29 K35 Y36 T37	T27-F29 HydrophobicContact CG2-CD2 4.33Å; T27-F29 HydrophobicContact CG2-CE1 4.01Å; T27-F29 HydrophobicContact CG2-CE2 3.8Å; T27-F29 HydrophobicContact CG2-CZ 3.62Å; T27-K35 HydrophobicContact CG2-CB 3.71Å; T27-K35 HydrophobicContact CG2-CD 4.15Å; T27-K35 HydrophobicContact CG2-CG 4.41Å; T27-Y36 CarbonylContact C-O 3.54Å; T27-Y36 VanDerWaalsContact CA-O 3.32Å; T27-Y36 WeakPolarHBondContact CA-O 3.47Å; T27-T37 PolarHBondContact OG1-OG1 3.03Å
28	V	94.2	Very high	91.6	Very high	30 Å²	30	72.2 Å²	72.2	18%	0.182	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	126.3	169.9	176.8	0	0	0	0	108.3	N26 K35 Y36 W40	N26-V28 PolarHBondContact O-N 3.27Å; V28-K35 WeakPolarHBondContact O-CA 3.41Å; V28-Y36 PolarHBondContact N-O 3.07Å; V28-Y36 PolarHBondContact O-N 2.98Å; V28-W40 HydrophobicContact CB-CH2 4.45Å; V28-W40 HydrophobicContact CB-CZ2 3.73Å; V28-W40 HydrophobicContact CG1-CH2 4.21Å; V28-W40 HydrophobicContact CG1-CZ2 3.97Å; V28-W40 HydrophobicContact CG2-CH2 4.49Å; V28-W40 HydrophobicContact CG2-CZ2 3.59Å
29	F	95.3	Very high	92.6	Very high	148 Å²	148	68.9 Å²	68.9	65%	0.649	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	133.4	176.4	-61.8	-89	0	0	0	110.3	T27 K35	T27-F29 HydrophobicContact CG2-CD2 4.33Å; T27-F29 HydrophobicContact CG2-CE1 4.01Å; T27-F29 HydrophobicContact CG2-CE2 3.8Å; T27-F29 HydrophobicContact CG2-CZ 3.62Å; F29-K35 HydrophobicContact CD1-CB 3.92Å; F29-K35 HydrophobicContact CE1-CB 4.05Å; F29-K35 HydrophobicContact CE1-CD 4.25Å
30	S	93.8	Very high	93.4	Very high	53 Å²	53	66.9 Å²	66.9	37%	0.371	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-93	159	173.2	-63.2	0	0	0	0	110.5	N32 G33 D34	S30-N32 WeakPolarHBondContact CB-OD1 3.27Å; S30-N32 PolarHBondContact O-N 3.08Å; S30-G33 WeakPolarHBondContact O-CA 3.35Å; S30-G33 PolarHBondContact O-N 3.36Å; S30-D34 PolarHBondContact N-O 2.83Å
31	V	93.9	Very high	93.9	Very high	162 Å²	162	70 Å²	70	98%	0.982	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-26.8	-178.5	-62.2	0	0	0	0	113.8	G33	V31-G33 PolarHBondContact O-N 3.18Å
32	N	94.6	Very high	94.4	Very high	86 Å²	86	70 Å²	70	46%	0.46	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-1.6	174.1	66.5	-5.9	0	0	0	113	S30 D34	S30-N32 WeakPolarHBondContact CB-OD1 3.27Å; S30-N32 PolarHBondContact O-N 3.08Å; N32-D34 VanDerWaalsContact C-N 3.32Å; N32-D34 PolarHBondContact ND2-OD2 3.49Å; N32-D34 VanDerWaalsContact OD1-CB 3.25Å; N32-D34 WeakPolarHBondContact OD1-CB 3.33Å; N32-D34 VanDerWaalsContact OD1-CG 3.28Å; N32-D34 PolarHBondContact OD1-N 3.44Å
33	G	95.3	Very high	94.6	Very high	25 Å²	25	71 Å²	71	26%	0.258	38%	0.382	S	S	.	.	S	Bend	trans	81.4	4.9	-176.8	0	0	0	0	0	114.7	S30 V31	S30-G33 WeakPolarHBondContact O-CA 3.35Å; S30-G33 PolarHBondContact O-N 3.36Å; V31-G33 PolarHBondContact O-N 3.18Å
34	D	97.8	Very high	95	Very high	9 Å²	9	73.8 Å²	73.8	5%	0.048	38%	0.383	C	S	.	.			trans	-64.5	153.9	167.6	-66.1	-10.3	0	0	0	109.9	S30 N32 Y51 E52 W53 R54	S30-D34 PolarHBondContact N-O 2.83Å; N32-D34 VanDerWaalsContact C-N 3.32Å; N32-D34 PolarHBondContact ND2-OD2 3.49Å; N32-D34 VanDerWaalsContact OD1-CB 3.25Å; N32-D34 WeakPolarHBondContact OD1-CB 3.33Å; N32-D34 VanDerWaalsContact OD1-CG 3.28Å; N32-D34 PolarHBondContact OD1-N 3.44Å; D34-Y51 HydrophobicContact CB-CE1 3.78Å; D34-Y51 WeakPolarHBondContact CB-OH 3.27Å; D34-Y51 PolarHBondContact OD2-OH 3.4Å; D34-E52 WeakPolarHBondContact CA-O 3.41Å; D34-W53 WeakPolarHBondContact OD1-CA 3.39Å; D34-R54 PolarHBondContact OD1-N 3.23Å
35	K	97.4	Very high	95.3	Very high	61 Å²	61	69.1 Å²	69.1	27%	0.265	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	146.2	177.3	60.6	174.7	-176.1	167.5	0	111.7	T27 V28 F29 Y51 E52	T27-K35 HydrophobicContact CG2-CB 3.71Å; T27-K35 HydrophobicContact CG2-CD 4.15Å; T27-K35 HydrophobicContact CG2-CG 4.41Å; V28-K35 WeakPolarHBondContact O-CA 3.41Å; F29-K35 HydrophobicContact CD1-CB 3.92Å; F29-K35 HydrophobicContact CE1-CB 4.05Å; F29-K35 HydrophobicContact CE1-CD 4.25Å; K35-Y51 WeakPolarHBondContact O-CA 3.34Å; K35-E52 HydrophobicContact CD-CB 4.42Å; K35-E52 VanDerWaalsContact CE-CG 3.46Å; K35-E52 WeakPolarHBondContact CE-OE1 3.42Å; K35-E52 WeakPolarHBondContact CE-OE2 3.1Å; K35-E52 HydrophobicContact CG-CB 3.78Å; K35-E52 HydrophobicContact CG-CG 4.28Å; K35-E52 PolarHBondContact N-O 3.04Å; K35-E52 VanDerWaalsContact N-O 3.09Å; K35-E52 IonicContact NZ-OE1 2.66Å; K35-E52 PolarHBondContact NZ-OE1 2.89Å; K35-E52 IonicContact NZ-OE2 2.97Å; K35-E52 PolarHBondContact NZ-OE2 3.35Å; K35-E52 PolarHBondContact O-N 3.41Å
36	Y	97.9	Very high	95.8	Very high	4 Å²	4	66.9 Å²	66.9	2%	0.016	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	130.8	175.7	179.2	-102.8	0	0	0	110.8	T27 V28 E39 W40 R45 H46 V50 Y51 W64	T27-Y36 CarbonylContact C-O 3.54Å; T27-Y36 VanDerWaalsContact CA-O 3.32Å; T27-Y36 WeakPolarHBondContact CA-O 3.47Å; V28-Y36 PolarHBondContact N-O 3.07Å; V28-Y36 PolarHBondContact O-N 2.98Å; Y36-E39 WeakPolarHBondContact CE1-O 3.45Å; Y36-E39 PolarHBondContact OH-N 3.45Å; Y36-E39 PolarHBondContact OH-O 2.87Å; Y36-W40 AromaticContact CD1-CE2 3.49Å; Y36-W40 VanDerWaalsContact CD1-CE2 3.49Å; Y36-W40 HydrophobicContact CD1-CH2 4.45Å; Y36-W40 AromaticContact CD1-CZ2 3.44Å; Y36-W40 HydrophobicContact CD1-CZ2 3.44Å; Y36-W40 VanDerWaalsContact CD1-CZ2 3.44Å; Y36-W40 AromaticContact CD1-NE1 3.37Å; Y36-W40 AromaticContact CE1-CD1 3.91Å; Y36-W40 HydrophobicContact CE1-CD2 4.41Å; Y36-W40 AromaticContact CE1-CE2 3.72Å; Y36-W40 HydrophobicContact CE1-CZ2 4.1Å; Y36-W40 AromaticContact CE1-NE1 3.39Å; Y36-W40 HydrophobicContact CG-CZ2 4.3Å; Y36-R45 HydrophobicContact CD1-CG 3.86Å; Y36-R45 HydrophobicContact CD2-CG 3.89Å; Y36-R45 HydrophobicContact CE1-CB 4.2Å; Y36-R45 HydrophobicContact CE1-CG 3.78Å; Y36-R45 HydrophobicContact CE2-CB 4.05Å; Y36-R45 HydrophobicContact CE2-CG 3.81Å; Y36-R45 HydrophobicContact CG-CG 3.88Å; Y36-H46 PolarHBondContact OH-O 2.96Å; Y36-V50 CarbonylContact C-O 3.55Å; Y36-V50 WeakPolarHBondContact CA-O 3.48Å; Y36-V50 WeakPolarHBondContact CD2-O 3.37Å; Y36-Y51 AromaticContact CD2-CD2 3.81Å; Y36-Y51 HydrophobicContact CD2-CD2 3.81Å; Y36-Y51 HydrophobicContact CD2-CG 4.42Å; Y36-Y51 HydrophobicContact CG-CD2 4.2Å; Y36-W64 AromaticContact CE2-CD1 3.87Å; Y36-W64 HydrophobicContact CE2-CD2 4.22Å; Y36-W64 AromaticContact CE2-CE2 3.86Å; Y36-W64 HydrophobicContact CE2-CG 4.23Å; Y36-W64 HydrophobicContact CE2-CZ2 4.46Å; Y36-W64 AromaticContact CE2-NE1 3.63Å
37	T	98	Very high	96	Very high	57 Å²	57	60.6 Å²	60.6	35%	0.35	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	118.5	174.4	-52.7	0	0	0	0	107.6	T27 G49 V50	T27-T37 PolarHBondContact OG1-OG1 3.03Å; T37-G49 CarbonylContact O-C 3.48Å; T37-G49 VanDerWaalsContact O-CA 3.28Å; T37-G49 WeakPolarHBondContact O-CA 3.49Å; T37-V50 PolarHBondContact N-O 3.48Å; T37-V50 PolarHBondContact O-N 3.26Å
38	G	97.5	Very high	96.2	Very high	4 Å²	4	62.8 Å²	62.8	4%	0.041	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	157.9	-163.5	-174.9	0	0	0	0	0	113.3	R25 W40 F48	R25-G38 PolarHBondContact N-O 2.86Å; G38-W40 VanDerWaalsContact O-CD1 3.31Å; G38-F48 WeakPolarHBondContact CA-O 3.11Å
39	E	98.1	Very high	96.4	Very high	80 Å²	80	61.4 Å²	61.4	37%	0.374	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	146.4	-176.6	-64.2	175.6	-94.1	0	0	112.6	L24 Y36 H46 G47 F48	L24-E39 HydrophobicContact CD1-CG 4.21Å; Y36-E39 WeakPolarHBondContact CE1-O 3.45Å; Y36-E39 PolarHBondContact OH-N 3.45Å; Y36-E39 PolarHBondContact OH-O 2.87Å; E39-H46 CarbonylContact C-O 3.59Å; E39-H46 VanDerWaalsContact C-O 3.31Å; E39-H46 WeakPolarHBondContact CB-O 3.33Å; E39-H46 PolarHBondContact O-N 2.85Å; E39-H46 VanDerWaalsContact O-N 3.1Å; E39-G47 WeakPolarHBondContact OE1-CA 2.99Å; E39-F48 PolarHBondContact N-O 2.82Å; E39-F48 VanDerWaalsContact N-O 3.08Å; E39-F48 PolarHBondContact OE1-N 2.85Å
40	W	97.3	Very high	96.6	Very high	28 Å²	28	56.1 Å²	56.1	11%	0.106	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	148.3	176.9	-66.8	73.9	0	0	0	110.1	K21 N22 G23 R25 V28 Y36 G38 N43 K44 R45	K21-W40 HydrophobicContact CB-CB 3.84Å; K21-W40 HydrophobicContact CB-CD2 3.86Å; K21-W40 HydrophobicContact CB-CE3 3.81Å; K21-W40 HydrophobicContact CB-CG 3.9Å; K21-W40 HydrophobicContact CD-CD2 3.97Å; K21-W40 HydrophobicContact CD-CE3 3.78Å; K21-W40 HydrophobicContact CD-CH2 4.16Å; K21-W40 HydrophobicContact CD-CZ2 4.32Å; K21-W40 HydrophobicContact CD-CZ3 3.87Å; K21-W40 HydrophobicContact CG-CE3 4.47Å; K21-W40 VanDerWaalsContact O-CB 3.22Å; K21-W40 WeakPolarHBondContact O-CB 3.46Å; N22-W40 CarbonylContact C-O 3.58Å; N22-W40 WeakPolarHBondContact CA-O 3.15Å; G23-W40 PolarHBondContact N-O 3.47Å; G23-W40 PolarHBondContact O-N 3.24Å; R25-W40 VanDerWaalsContact CG-CD1 3.46Å; R25-W40 HydrophobicContact CG-CG 4.11Å; V28-W40 HydrophobicContact CB-CH2 4.45Å; V28-W40 HydrophobicContact CB-CZ2 3.73Å; V28-W40 HydrophobicContact CG1-CH2 4.21Å; V28-W40 HydrophobicContact CG1-CZ2 3.97Å; V28-W40 HydrophobicContact CG2-CH2 4.49Å; V28-W40 HydrophobicContact CG2-CZ2 3.59Å; Y36-W40 AromaticContact CD1-CE2 3.49Å; Y36-W40 VanDerWaalsContact CD1-CE2 3.49Å; Y36-W40 HydrophobicContact CD1-CH2 4.45Å; Y36-W40 AromaticContact CD1-CZ2 3.44Å; Y36-W40 HydrophobicContact CD1-CZ2 3.44Å; Y36-W40 VanDerWaalsContact CD1-CZ2 3.44Å; Y36-W40 AromaticContact CD1-NE1 3.37Å; Y36-W40 AromaticContact CE1-CD1 3.91Å; Y36-W40 HydrophobicContact CE1-CD2 4.41Å; Y36-W40 AromaticContact CE1-CE2 3.72Å; Y36-W40 HydrophobicContact CE1-CZ2 4.1Å; Y36-W40 AromaticContact CE1-NE1 3.39Å; Y36-W40 HydrophobicContact CG-CZ2 4.3Å; G38-W40 VanDerWaalsContact O-CD1 3.31Å; W40-N43 WeakPolarHBondContact CZ3-O 3.22Å; W40-K44 WeakPolarHBondContact CA-O 3.28Å; W40-R45 HydrophobicContact CH2-CG 4.42Å
41	K	95.7	Very high	96.8	Very high	107 Å²	107	54.6 Å²	54.6	47%	0.465	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	125.1	169.6	-174.7	175.2	178.9	175.2	0	108.7	N22 N43 K44 H46	N22-K41 WeakPolarHBondContact OD1-CA 3.47Å; K41-N43 VanDerWaalsContact C-N 3.3Å; K41-N43 PolarHBondContact O-N 2.88Å; K41-K44 PolarHBondContact N-O 2.86Å; K41-K44 WeakPolarHBondContact O-CB 3.01Å; K41-K44 PolarHBondContact O-N 2.94Å; K41-H46 HydrophobicContact CB-CB 3.63Å
42	D	94	Very high	97	Very high	78 Å²	78	49 Å²	49	42%	0.417	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	48	178.3	-47.1	-39.3	0	0	0	112.2	N22 K44	N22-D42 PolarHBondContact OD1-N 3.04Å; D42-K44 PolarHBondContact O-N 3.41Å; D42-K44 VanDerWaalsContact O-N 3.11Å
43	N	93.4	Very high	97.1	Very high	69 Å²	69	47.9 Å²	47.9	37%	0.369	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	15.1	-175.6	-65.7	-50.2	0	0	0	116.1	D20 K21 W40 K41	D20-N43 WeakPolarHBondContact CA-OD1 3.24Å; D20-N43 VanDerWaalsContact CG-ND2 3.25Å; D20-N43 PolarHBondContact OD1-ND2 3.22Å; K21-N43 PolarHBondContact N-OD1 3.46Å; K21-N43 PolarHBondContact O-N 2.99Å; W40-N43 WeakPolarHBondContact CZ3-O 3.22Å; K41-N43 VanDerWaalsContact C-N 3.3Å; K41-N43 PolarHBondContact O-N 2.88Å
44	K	96	Very high	97.2	Very high	98 Å²	98	54.9 Å²	54.9	43%	0.426	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	145.8	176.4	-58.4	176.4	-174.8	164.4	0	110	W40 K41 D42 H46 K66 N67	W40-K44 WeakPolarHBondContact CA-O 3.28Å; K41-K44 PolarHBondContact N-O 2.86Å; K41-K44 WeakPolarHBondContact O-CB 3.01Å; K41-K44 PolarHBondContact O-N 2.94Å; D42-K44 PolarHBondContact O-N 3.41Å; D42-K44 VanDerWaalsContact O-N 3.11Å; K44-H46 PolarHBondContact O-N 3.07Å; K44-K66 HydrophobicContact CD-CB 4.33Å; K44-N67 WeakPolarHBondContact CA-OD1 3.38Å; K44-N67 WeakPolarHBondContact CG-ND2 2.87Å
45	R	97.3	Very high	97.1	Very high	41 Å²	41	64.3 Å²	64.3	16%	0.155	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	127.3	168.1	-61	167.7	-75.2	-179.7	1.9	108	Y36 W40 W64 K66 N67	Y36-R45 HydrophobicContact CD1-CG 3.86Å; Y36-R45 HydrophobicContact CD2-CG 3.89Å; Y36-R45 HydrophobicContact CE1-CB 4.2Å; Y36-R45 HydrophobicContact CE1-CG 3.78Å; Y36-R45 HydrophobicContact CE2-CB 4.05Å; Y36-R45 HydrophobicContact CE2-CG 3.81Å; Y36-R45 HydrophobicContact CG-CG 3.88Å; W40-R45 HydrophobicContact CH2-CG 4.42Å; R45-W64 HydrophobicContact CB-CB 4.04Å; R45-W64 HydrophobicContact CB-CD2 3.96Å; R45-W64 HydrophobicContact CB-CE3 3.86Å; R45-W64 HydrophobicContact CB-CG 4.05Å; R45-W64 VanDerWaalsContact NH1-CH2 3.34Å; R45-W64 VanDerWaalsContact NH1-CZ3 3.27Å; R45-K66 PolarHBondContact O-N 2.74Å; R45-N67 WeakPolarHBondContact CG-OD1 3.31Å; R45-N67 PolarHBondContact N-OD1 3.27Å; R45-N67 PolarHBondContact NE-OD1 3.09Å; R45-N67 VanDerWaalsContact NE-OD1 3.13Å; R45-N67 PolarHBondContact NH2-O 3.34Å; R45-N67 PolarHBondContact O-N 2.91Å
46	H	97.8	Very high	97	Very high	59 Å²	59	64 Å²	64	27%	0.273	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	167.5	-177.6	-162	62.8	0	0	0	108.9	Y36 E39 K41 K44 W64	Y36-H46 PolarHBondContact OH-O 2.96Å; E39-H46 CarbonylContact C-O 3.59Å; E39-H46 VanDerWaalsContact C-O 3.31Å; E39-H46 WeakPolarHBondContact CB-O 3.33Å; E39-H46 PolarHBondContact O-N 2.85Å; E39-H46 VanDerWaalsContact O-N 3.1Å; K41-H46 HydrophobicContact CB-CB 3.63Å; K44-H46 PolarHBondContact O-N 3.07Å; H46-W64 CarbonylContact C-O 3.52Å; H46-W64 VanDerWaalsContact CA-O 3.26Å; H46-W64 WeakPolarHBondContact CA-O 3.31Å
47	G	97.6	Very high	96.9	Very high	18 Å²	18	68.1 Å²	68.1	19%	0.186	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	59.3	-152.4	178	0	0	0	0	0	112.7	E39 N63 W64	E39-G47 WeakPolarHBondContact OE1-CA 2.99Å; G47-N63 CarbonylContact O-C 3.48Å; G47-N63 WeakPolarHBondContact O-CA 3.29Å; G47-W64 PolarHBondContact N-O 3.26Å; G47-W64 PolarHBondContact O-N 3.09Å
48	F	98.4	Very high	96.9	Very high	101 Å²	101	67.3 Å²	67.3	44%	0.443	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	141.6	178.4	-168.9	-92.4	0	0	0	111.5	G38 E39 E61	G38-F48 WeakPolarHBondContact CA-O 3.11Å; E39-F48 PolarHBondContact N-O 2.82Å; E39-F48 VanDerWaalsContact N-O 3.08Å; E39-F48 PolarHBondContact OE1-N 2.85Å; F48-E61 HydrophobicContact CE1-CG 4.14Å; F48-E61 HydrophobicContact CE2-CG 4.45Å; F48-E61 HydrophobicContact CZ-CG 3.58Å
49	G	98.1	Very high	97	Very high	2 Å²	2	67.6 Å²	67.6	2%	0.021	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.5	163.9	173.1	0	0	0	0	0	115	T37 G62 W64	T37-G49 CarbonylContact O-C 3.48Å; T37-G49 VanDerWaalsContact O-CA 3.28Å; T37-G49 WeakPolarHBondContact O-CA 3.49Å; G49-G62 PolarHBondContact N-O 3Å; G49-G62 PolarHBondContact O-N 2.74Å; G49-G62 VanDerWaalsContact O-N 3.14Å; G49-W64 PolarHBondContact O-NE1 2.93Å; G49-W64 VanDerWaalsContact O-NE1 3.13Å
50	V	98.4	Very high	97	Very high	37 Å²	37	63.8 Å²	63.8	22%	0.224	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	124.9	177	-175.8	0	0	0	0	109.2	Y36 T37 E52 V59 Y60 E61	Y36-V50 CarbonylContact C-O 3.55Å; Y36-V50 WeakPolarHBondContact CA-O 3.48Å; Y36-V50 WeakPolarHBondContact CD2-O 3.37Å; T37-V50 PolarHBondContact N-O 3.48Å; T37-V50 PolarHBondContact O-N 3.26Å; V50-E52 HydrophobicContact CG1-CG 4.35Å; V50-V59 HydrophobicContact CG1-CG1 3.77Å; V50-Y60 CarbonylContact C-O 3.48Å; V50-Y60 VanDerWaalsContact CA-O 3.23Å; V50-Y60 WeakPolarHBondContact CA-O 3.29Å; V50-E61 HydrophobicContact CG2-CB 4.15Å; V50-E61 HydrophobicContact CG2-CG 3.96Å
51	Y	98.4	Very high	97.1	Very high	20 Å²	20	67.2 Å²	67.2	8%	0.078	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	127.4	171.4	-165.6	-79.2	0	0	0	110	D34 K35 Y36 W53 V59 Y60 W64	D34-Y51 HydrophobicContact CB-CE1 3.78Å; D34-Y51 WeakPolarHBondContact CB-OH 3.27Å; D34-Y51 PolarHBondContact OD2-OH 3.4Å; K35-Y51 WeakPolarHBondContact O-CA 3.34Å; Y36-Y51 AromaticContact CD2-CD2 3.81Å; Y36-Y51 HydrophobicContact CD2-CD2 3.81Å; Y36-Y51 HydrophobicContact CD2-CG 4.42Å; Y36-Y51 HydrophobicContact CG-CD2 4.2Å; Y51-W53 AromaticContact CD1-CD2 3.38Å; Y51-W53 HydrophobicContact CD1-CD2 3.38Å; Y51-W53 AromaticContact CD1-CE2 3.33Å; Y51-W53 AromaticContact CD1-CE3 3.6Å; Y51-W53 HydrophobicContact CD1-CE3 3.6Å; Y51-W53 AromaticContact CD1-CG 3.94Å; Y51-W53 HydrophobicContact CD1-CG 3.94Å; Y51-W53 AromaticContact CD1-CH2 3.75Å; Y51-W53 HydrophobicContact CD1-CH2 3.75Å; Y51-W53 AromaticContact CD1-CZ2 3.54Å; Y51-W53 HydrophobicContact CD1-CZ2 3.54Å; Y51-W53 AromaticContact CD1-CZ3 3.78Å; Y51-W53 HydrophobicContact CD1-CZ3 3.78Å; Y51-W53 AromaticContact CD1-NE1 3.84Å; Y51-W53 HydrophobicContact CE1-CB 4.5Å; Y51-W53 AromaticContact CE1-CD1 3.48Å; Y51-W53 VanDerWaalsContact CE1-CD1 3.48Å; Y51-W53 AromaticContact CE1-CD2 3.53Å; Y51-W53 HydrophobicContact CE1-CD2 3.53Å; Y51-W53 AromaticContact CE1-CE2 3.33Å; Y51-W53 HydrophobicContact CE1-CE3 4.23Å; Y51-W53 AromaticContact CE1-CG 3.63Å; Y51-W53 HydrophobicContact CE1-CG 3.63Å; Y51-W53 AromaticContact CE1-CZ2 3.9Å; Y51-W53 HydrophobicContact CE1-CZ2 3.9Å; Y51-W53 AromaticContact CE1-NE1 3.3Å; Y51-W53 VanDerWaalsContact CE1-NE1 3.3Å; Y51-W53 HydrophobicContact CG-CH2 4.2Å; Y51-W53 HydrophobicContact CG-CZ2 4.19Å; Y51-W53 HydrophobicContact CG-CZ3 4.42Å; Y51-V59 CarbonylContact O-C 3.1Å; Y51-V59 WeakPolarHBondContact O-CA 3.38Å; Y51-Y60 PolarHBondContact N-O 3.42Å; Y51-Y60 PolarHBondContact O-N 2.97Å; Y51-W64 HydrophobicContact CD2-CH2 4.23Å; Y51-W64 HydrophobicContact CD2-CZ2 4.42Å; Y51-W64 HydrophobicContact CG-CH2 4.03Å; Y51-W64 HydrophobicContact CG-CZ2 4.09Å
52	E	98	Very high	97.2	Very high	46 Å²	46	62.1 Å²	62.1	22%	0.215	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	117.7	173.8	-58	-170.4	-143	0	0	109.7	D34 K35 V50 L58 V59	D34-E52 WeakPolarHBondContact CA-O 3.41Å; K35-E52 HydrophobicContact CD-CB 4.42Å; K35-E52 VanDerWaalsContact CE-CG 3.46Å; K35-E52 WeakPolarHBondContact CE-OE1 3.42Å; K35-E52 WeakPolarHBondContact CE-OE2 3.1Å; K35-E52 HydrophobicContact CG-CB 3.78Å; K35-E52 HydrophobicContact CG-CG 4.28Å; K35-E52 PolarHBondContact N-O 3.04Å; K35-E52 VanDerWaalsContact N-O 3.09Å; K35-E52 IonicContact NZ-OE1 2.66Å; K35-E52 PolarHBondContact NZ-OE1 2.89Å; K35-E52 IonicContact NZ-OE2 2.97Å; K35-E52 PolarHBondContact NZ-OE2 3.35Å; K35-E52 PolarHBondContact O-N 3.41Å; V50-E52 HydrophobicContact CG1-CG 4.35Å; E52-L58 WeakPolarHBondContact CA-O 3.39Å; E52-V59 HydrophobicContact CB-CG2 4.45Å; E52-V59 HydrophobicContact CG-CB 4.31Å; E52-V59 HydrophobicContact CG-CG1 3.93Å; E52-V59 HydrophobicContact CG-CG2 3.82Å
53	W	97.5	Very high	97.4	Very high	62 Å²	62	61.8 Å²	61.8	24%	0.235	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	114.3	172	-71.3	-89.9	0	0	0	109.4	D34 Y51 K55 S56 N57 L58 Y60 W64 L75	D34-W53 WeakPolarHBondContact OD1-CA 3.39Å; Y51-W53 AromaticContact CD1-CD2 3.38Å; Y51-W53 HydrophobicContact CD1-CD2 3.38Å; Y51-W53 AromaticContact CD1-CE2 3.33Å; Y51-W53 AromaticContact CD1-CE3 3.6Å; Y51-W53 HydrophobicContact CD1-CE3 3.6Å; Y51-W53 AromaticContact CD1-CG 3.94Å; Y51-W53 HydrophobicContact CD1-CG 3.94Å; Y51-W53 AromaticContact CD1-CH2 3.75Å; Y51-W53 HydrophobicContact CD1-CH2 3.75Å; Y51-W53 AromaticContact CD1-CZ2 3.54Å; Y51-W53 HydrophobicContact CD1-CZ2 3.54Å; Y51-W53 AromaticContact CD1-CZ3 3.78Å; Y51-W53 HydrophobicContact CD1-CZ3 3.78Å; Y51-W53 AromaticContact CD1-NE1 3.84Å; Y51-W53 HydrophobicContact CE1-CB 4.5Å; Y51-W53 AromaticContact CE1-CD1 3.48Å; Y51-W53 VanDerWaalsContact CE1-CD1 3.48Å; Y51-W53 AromaticContact CE1-CD2 3.53Å; Y51-W53 HydrophobicContact CE1-CD2 3.53Å; Y51-W53 AromaticContact CE1-CE2 3.33Å; Y51-W53 HydrophobicContact CE1-CE3 4.23Å; Y51-W53 AromaticContact CE1-CG 3.63Å; Y51-W53 HydrophobicContact CE1-CG 3.63Å; Y51-W53 AromaticContact CE1-CZ2 3.9Å; Y51-W53 HydrophobicContact CE1-CZ2 3.9Å; Y51-W53 AromaticContact CE1-NE1 3.3Å; Y51-W53 VanDerWaalsContact CE1-NE1 3.3Å; Y51-W53 HydrophobicContact CG-CH2 4.2Å; Y51-W53 HydrophobicContact CG-CZ2 4.19Å; Y51-W53 HydrophobicContact CG-CZ3 4.42Å; W53-K55 PolarHBondContact O-N 2.86Å; W53-S56 VanDerWaalsContact CB-OG 3.23Å; W53-S56 WeakPolarHBondContact CB-OG 3.29Å; W53-N57 WeakPolarHBondContact O-CA 3.38Å; W53-N57 PolarHBondContact O-N 3.16Å; W53-L58 HydrophobicContact CB-CB 4.49Å; W53-L58 HydrophobicContact CE3-CB 3.93Å; W53-L58 PolarHBondContact N-O 3Å; W53-Y60 VanDerWaalsContact CZ3-CB 3.44Å; W53-W64 HydrophobicContact CH2-CH2 4.01Å; W53-W64 HydrophobicContact CH2-CZ2 4.44Å; W53-W64 HydrophobicContact CZ2-CH2 4.2Å; W53-L75 HydrophobicContact CZ3-CD1 4.18Å
54	R	96.1	Very high	97.7	Very high	172 Å²	172	58.8 Å²	58.8	65%	0.649	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-43.3	-175.7	178.7	-179.4	171.8	-171.3	1.1	112.3	D34	D34-R54 PolarHBondContact OD1-N 3.23Å
55	K	95.7	Very high	97.8	Very high	207 Å²	207	57.4 Å²	57.4	90%	0.9	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-39.3	-173.4	-172.6	177.4	179.3	-179.4	0	113	W53	W53-K55 PolarHBondContact O-N 2.86Å
56	S	96.1	Very high	97.8	Very high	55 Å²	55	61.8 Å²	61.8	39%	0.385	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-8.3	-176.2	58.8	0	0	0	0	113.6	W53 L58	W53-S56 VanDerWaalsContact CB-OG 3.23Å; W53-S56 WeakPolarHBondContact CB-OG 3.29Å; S56-L58 PolarHBondContact O-N 2.74Å; S56-L58 WeakPolarHBondContact OG-CB 3.3Å; S56-L58 WeakPolarHBondContact OG-CG 3.37Å; S56-L58 PolarHBondContact OG-N 2.83Å
57	N	96.7	Very high	97.8	Very high	90 Å²	90	61.5 Å²	61.5	48%	0.481	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	30.1	-168.8	-60.3	-59.9	0	0	0	112.5	W53 R77 K78	W53-N57 WeakPolarHBondContact O-CA 3.38Å; W53-N57 PolarHBondContact O-N 3.16Å; N57-R77 CarbonylContact O-C 3.58Å; N57-R77 WeakPolarHBondContact O-CA 3.39Å; N57-K78 HydrophobicContact CB-CB 4.36Å; N57-K78 PolarHBondContact O-N 3.49Å
58	L	98	Very high	97.8	Very high	39 Å²	39	63.4 Å²	63.4	20%	0.204	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	144.1	174	-68.6	175.3	0	0	0	110.1	E52 W53 S56 L75 S76 R77 V87	E52-L58 WeakPolarHBondContact CA-O 3.39Å; W53-L58 HydrophobicContact CB-CB 4.49Å; W53-L58 HydrophobicContact CE3-CB 3.93Å; W53-L58 PolarHBondContact N-O 3Å; S56-L58 PolarHBondContact O-N 2.74Å; S56-L58 WeakPolarHBondContact OG-CB 3.3Å; S56-L58 WeakPolarHBondContact OG-CG 3.37Å; S56-L58 PolarHBondContact OG-N 2.83Å; L58-L75 HydrophobicContact CB-CD1 4.25Å; L58-S76 CarbonylContact C-O 3.42Å; L58-S76 WeakPolarHBondContact CA-O 3.42Å; L58-S76 WeakPolarHBondContact CD2-O 3.32Å; L58-R77 HydrophobicContact CD2-CB 4.05Å; L58-R77 HydrophobicContact CD2-CG 4.39Å; L58-V87 HydrophobicContact CD2-CG2 4.24Å
59	V	98.3	Very high	97.8	Very high	11 Å²	11	60.7 Å²	60.7	7%	0.067	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	123.9	174.4	-177.6	0	0	0	0	107.3	V50 Y51 E52 L75 S76 K78	V50-V59 HydrophobicContact CG1-CG1 3.77Å; Y51-V59 CarbonylContact O-C 3.1Å; Y51-V59 WeakPolarHBondContact O-CA 3.38Å; E52-V59 HydrophobicContact CB-CG2 4.45Å; E52-V59 HydrophobicContact CG-CB 4.31Å; E52-V59 HydrophobicContact CG-CG1 3.93Å; E52-V59 HydrophobicContact CG-CG2 3.82Å; V59-L75 CarbonylContact O-C 3.58Å; V59-L75 WeakPolarHBondContact O-CA 3.49Å; V59-S76 PolarHBondContact N-O 2.97Å; V59-S76 PolarHBondContact O-N 2.84Å; V59-K78 HydrophobicContact CG2-CB 4.45Å
60	Y	98.6	Very high	97.8	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	130.3	168.4	174.7	-93.5	0	0	0	109	V50 Y51 W53 N63 W64 R69 S70 V74 W92	V50-Y60 CarbonylContact C-O 3.48Å; V50-Y60 VanDerWaalsContact CA-O 3.23Å; V50-Y60 WeakPolarHBondContact CA-O 3.29Å; Y51-Y60 PolarHBondContact N-O 3.42Å; Y51-Y60 PolarHBondContact O-N 2.97Å; W53-Y60 VanDerWaalsContact CZ3-CB 3.44Å; Y60-N63 PolarHBondContact OH-N 2.83Å; Y60-N63 PolarHBondContact OH-O 3.42Å; Y60-W64 AromaticContact CD1-CE2 3.55Å; Y60-W64 HydrophobicContact CD1-CH2 4.31Å; Y60-W64 AromaticContact CD1-CZ2 3.34Å; Y60-W64 HydrophobicContact CD1-CZ2 3.34Å; Y60-W64 AromaticContact CD1-NE1 3.52Å; Y60-W64 HydrophobicContact CE1-CD2 4.44Å; Y60-W64 AromaticContact CE1-CE2 3.67Å; Y60-W64 AromaticContact CE1-CZ2 3.91Å; Y60-W64 HydrophobicContact CE1-CZ2 3.91Å; Y60-W64 AromaticContact CE1-NE1 3.45Å; Y60-W64 HydrophobicContact CG-CZ2 4.2Å; Y60-R69 HydrophobicContact CD1-CG 3.89Å; Y60-R69 VanDerWaalsContact CD2-CD 3.49Å; Y60-R69 HydrophobicContact CD2-CG 3.95Å; Y60-R69 HydrophobicContact CE1-CB 4.26Å; Y60-R69 HydrophobicContact CE1-CG 3.69Å; Y60-R69 HydrophobicContact CE2-CB 4.07Å; Y60-R69 HydrophobicContact CE2-CG 3.76Å; Y60-R69 HydrophobicContact CG-CG 3.98Å; Y60-S70 PolarHBondContact OH-O 3.12Å; Y60-V74 CarbonylContact C-O 3.47Å; Y60-V74 VanDerWaalsContact CA-O 3.31Å; Y60-V74 WeakPolarHBondContact CA-O 3.37Å; Y60-W92 HydrophobicContact CD2-CZ2 4.28Å; Y60-W92 AromaticContact CE2-CD1 3.95Å; Y60-W92 HydrophobicContact CE2-CD2 4.17Å; Y60-W92 AromaticContact CE2-CE2 3.7Å; Y60-W92 HydrophobicContact CE2-CG 4.3Å; Y60-W92 HydrophobicContact CE2-CZ2 4.13Å; Y60-W92 AromaticContact CE2-NE1 3.58Å
61	E	98.6	Very high	97.8	Very high	100 Å²	100	61.3 Å²	61.3	47%	0.467	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	116	173.3	175	172.8	-170.2	0	0	107.9	F48 V50 G73 V74	F48-E61 HydrophobicContact CE1-CG 4.14Å; F48-E61 HydrophobicContact CE2-CG 4.45Å; F48-E61 HydrophobicContact CZ-CG 3.58Å; V50-E61 HydrophobicContact CG2-CB 4.15Å; V50-E61 HydrophobicContact CG2-CG 3.96Å; E61-G73 CarbonylContact O-C 3.53Å; E61-G73 VanDerWaalsContact O-CA 3.25Å; E61-G73 WeakPolarHBondContact O-CA 3.33Å; E61-V74 PolarHBondContact N-O 2.87Å; E61-V74 PolarHBondContact O-N 2.82Å
62	G	98.5	Very high	97.8	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.1	-160.9	-176.4	0	0	0	0	0	113.3	G49 S72	G49-G62 PolarHBondContact N-O 3Å; G49-G62 PolarHBondContact O-N 2.74Å; G49-G62 VanDerWaalsContact O-N 3.14Å; G62-S72 WeakPolarHBondContact CA-O 3.47Å
63	N	98.7	Very high	97.9	Very high	70 Å²	70	62 Å²	62	37%	0.374	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	144.1	-173.2	-58.3	23.7	0	0	0	112.2	G47 Y60 S70 S72	G47-N63 CarbonylContact O-C 3.48Å; G47-N63 WeakPolarHBondContact O-CA 3.29Å; Y60-N63 PolarHBondContact OH-N 2.83Å; Y60-N63 PolarHBondContact OH-O 3.42Å; N63-S70 CarbonylContact C-O 3.44Å; N63-S70 VanDerWaalsContact CB-O 3.25Å; N63-S70 WeakPolarHBondContact CB-O 3.44Å; N63-S70 PolarHBondContact O-N 3.19Å; N63-S72 PolarHBondContact N-O 2.88Å; N63-S72 PolarHBondContact OD1-O 2.71Å
64	W	98.6	Very high	97.9	Very high	6 Å²	6	61.3 Å²	61.3	2%	0.023	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	140.9	-179.8	-67	82.8	0	0	0	109.9	Y36 R45 H46 G47 G49 Y51 W53 Y60 N67 M68 R69	Y36-W64 AromaticContact CE2-CD1 3.87Å; Y36-W64 HydrophobicContact CE2-CD2 4.22Å; Y36-W64 AromaticContact CE2-CE2 3.86Å; Y36-W64 HydrophobicContact CE2-CG 4.23Å; Y36-W64 HydrophobicContact CE2-CZ2 4.46Å; Y36-W64 AromaticContact CE2-NE1 3.63Å; R45-W64 HydrophobicContact CB-CB 4.04Å; R45-W64 HydrophobicContact CB-CD2 3.96Å; R45-W64 HydrophobicContact CB-CE3 3.86Å; R45-W64 HydrophobicContact CB-CG 4.05Å; R45-W64 VanDerWaalsContact NH1-CH2 3.34Å; R45-W64 VanDerWaalsContact NH1-CZ3 3.27Å; H46-W64 CarbonylContact C-O 3.52Å; H46-W64 VanDerWaalsContact CA-O 3.26Å; H46-W64 WeakPolarHBondContact CA-O 3.31Å; G47-W64 PolarHBondContact N-O 3.26Å; G47-W64 PolarHBondContact O-N 3.09Å; G49-W64 PolarHBondContact O-NE1 2.93Å; G49-W64 VanDerWaalsContact O-NE1 3.13Å; Y51-W64 HydrophobicContact CD2-CH2 4.23Å; Y51-W64 HydrophobicContact CD2-CZ2 4.42Å; Y51-W64 HydrophobicContact CG-CH2 4.03Å; Y51-W64 HydrophobicContact CG-CZ2 4.09Å; W53-W64 HydrophobicContact CH2-CH2 4.01Å; W53-W64 HydrophobicContact CH2-CZ2 4.44Å; W53-W64 HydrophobicContact CZ2-CH2 4.2Å; Y60-W64 AromaticContact CD1-CE2 3.55Å; Y60-W64 HydrophobicContact CD1-CH2 4.31Å; Y60-W64 AromaticContact CD1-CZ2 3.34Å; Y60-W64 HydrophobicContact CD1-CZ2 3.34Å; Y60-W64 AromaticContact CD1-NE1 3.52Å; Y60-W64 HydrophobicContact CE1-CD2 4.44Å; Y60-W64 AromaticContact CE1-CE2 3.67Å; Y60-W64 AromaticContact CE1-CZ2 3.91Å; Y60-W64 HydrophobicContact CE1-CZ2 3.91Å; Y60-W64 AromaticContact CE1-NE1 3.45Å; Y60-W64 HydrophobicContact CG-CZ2 4.2Å; W64-N67 WeakPolarHBondContact CZ3-O 3.34Å; W64-M68 CarbonylContact C-O 3.56Å; W64-M68 WeakPolarHBondContact CA-O 3.38Å; W64-R69 HydrophobicContact CE3-CG 4.5Å; W64-R69 HydrophobicContact CH2-CG 3.98Å; W64-R69 HydrophobicContact CZ2-CG 4.24Å; W64-R69 HydrophobicContact CZ3-CG 4.1Å
65	E	98.4	Very high	98	Very high	70 Å²	70	53.7 Å²	53.7	33%	0.327	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	119.2	170.4	-171.3	-179.4	177.3	0	0	109.6	N67 M68	E65-N67 VanDerWaalsContact C-N 3.29Å; E65-N67 PolarHBondContact O-N 2.86Å; E65-M68 PolarHBondContact N-O 3.13Å; E65-M68 PolarHBondContact O-N 2.97Å
66	K	97.2	Very high	98.2	Very high	132 Å²	132	44.4 Å²	44.4	57%	0.574	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.7	49.7	176.5	-61.3	172.4	-177.4	170	0	112	K44 R45 M68	K44-K66 HydrophobicContact CD-CB 4.33Å; R45-K66 PolarHBondContact O-N 2.74Å; K66-M68 HydrophobicContact CB-CE 4.47Å; K66-M68 PolarHBondContact O-N 2.83Å
67	N	97.5	Very high	98.3	Very high	54 Å²	54	47.3 Å²	47.3	29%	0.289	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	70	2.2	-177.2	-75	-37.9	0	0	0	117.3	K44 R45 W64 E65	K44-N67 WeakPolarHBondContact CA-OD1 3.38Å; K44-N67 WeakPolarHBondContact CG-ND2 2.87Å; R45-N67 WeakPolarHBondContact CG-OD1 3.31Å; R45-N67 PolarHBondContact N-OD1 3.27Å; R45-N67 PolarHBondContact NE-OD1 3.09Å; R45-N67 VanDerWaalsContact NE-OD1 3.13Å; R45-N67 PolarHBondContact NH2-O 3.34Å; R45-N67 PolarHBondContact O-N 2.91Å; W64-N67 WeakPolarHBondContact CZ3-O 3.34Å; E65-N67 VanDerWaalsContact C-N 3.29Å; E65-N67 PolarHBondContact O-N 2.86Å
68	M	98.2	Very high	98.2	Very high	58 Å²	58	46.9 Å²	46.9	29%	0.286	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	148.1	178	-61.1	176.2	-74.3	0	0	110.6	W64 E65 K66 S70 Y94 D95	W64-M68 CarbonylContact C-O 3.56Å; W64-M68 WeakPolarHBondContact CA-O 3.38Å; E65-M68 PolarHBondContact N-O 3.13Å; E65-M68 PolarHBondContact O-N 2.97Å; K66-M68 HydrophobicContact CB-CE 4.47Å; K66-M68 PolarHBondContact O-N 2.83Å; M68-S70 PolarHBondContact O-N 2.93Å; M68-Y94 HydrophobicContact CE-CD1 3.85Å; M68-Y94 HydrophobicContact SD-CD1 4.31Å; M68-D95 WeakPolarHBondContact CA-OD2 3.22Å; M68-D95 HydrophobicContact CB-CB 4.47Å; M68-D95 WeakPolarHBondContact CG-OD2 3.35Å
69	R	98.5	Very high	98.1	Very high	43 Å²	43	48.2 Å²	48.2	16%	0.162	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	134.4	168.9	-62.9	166	-72.9	177.7	3.9	109.3	Y60 W64 W92 Y94 D95	Y60-R69 HydrophobicContact CD1-CG 3.89Å; Y60-R69 VanDerWaalsContact CD2-CD 3.49Å; Y60-R69 HydrophobicContact CD2-CG 3.95Å; Y60-R69 HydrophobicContact CE1-CB 4.26Å; Y60-R69 HydrophobicContact CE1-CG 3.69Å; Y60-R69 HydrophobicContact CE2-CB 4.07Å; Y60-R69 HydrophobicContact CE2-CG 3.76Å; Y60-R69 HydrophobicContact CG-CG 3.98Å; W64-R69 HydrophobicContact CE3-CG 4.5Å; W64-R69 HydrophobicContact CH2-CG 3.98Å; W64-R69 HydrophobicContact CZ2-CG 4.24Å; W64-R69 HydrophobicContact CZ3-CG 4.1Å; R69-W92 HydrophobicContact CB-CB 4.23Å; R69-W92 HydrophobicContact CB-CD2 4.16Å; R69-W92 HydrophobicContact CB-CE3 4.07Å; R69-W92 HydrophobicContact CB-CG 4.25Å; R69-W92 VanDerWaalsContact CZ-CZ3 3.42Å; R69-W92 VanDerWaalsContact NH1-CH2 3.28Å; R69-W92 VanDerWaalsContact NH1-CZ3 3.25Å; R69-Y94 PolarHBondContact O-N 2.76Å; R69-D95 WeakPolarHBondContact CB-OD1 3.37Å; R69-D95 WeakPolarHBondContact CG-OD1 3.35Å; R69-D95 IonicContact CZ-OD1 3.59Å; R69-D95 PolarHBondContact N-OD1 2.68Å; R69-D95 IonicContact NE-OD1 2.81Å; R69-D95 PolarHBondContact NE-OD1 2.8Å; R69-D95 PolarHBondContact NH2-O 3.41Å; R69-D95 IonicContact NH2-OD1 3.5Å; R69-D95 PolarHBondContact O-N 3.09Å
70	S	98.4	Very high	97.8	Very high	22 Å²	22	58.6 Å²	58.6	15%	0.154	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	170	-177.8	-166	0	0	0	0	108.8	Y60 N63 M68 W92	Y60-S70 PolarHBondContact OH-O 3.12Å; N63-S70 CarbonylContact C-O 3.44Å; N63-S70 VanDerWaalsContact CB-O 3.25Å; N63-S70 WeakPolarHBondContact CB-O 3.44Å; N63-S70 PolarHBondContact O-N 3.19Å; M68-S70 PolarHBondContact O-N 2.93Å; S70-W92 CarbonylContact C-O 3.55Å; S70-W92 WeakPolarHBondContact CA-O 3.43Å
71	G	98.3	Very high	97.5	Very high	30 Å²	30	63.6 Å²	63.6	31%	0.309	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	54.8	-145.5	177.3	0	0	0	0	0	113.5	S91 W92	G71-S91 CarbonylContact O-C 3.31Å; G71-S91 WeakPolarHBondContact O-CA 3.3Å; G71-W92 PolarHBondContact N-O 3.4Å; G71-W92 PolarHBondContact O-N 2.81Å
72	S	98.6	Very high	97.1	Very high	75 Å²	75	61 Å²	61	52%	0.524	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	145.1	179	-54.1	0	0	0	0	111.8	G62 N63	G62-S72 WeakPolarHBondContact CA-O 3.47Å; N63-S72 PolarHBondContact N-O 2.88Å; N63-S72 PolarHBondContact OD1-O 2.71Å
73	G	98.6	Very high	96.8	Very high	7 Å²	7	67.8 Å²	67.8	7%	0.072	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.6	160.6	172.8	0	0	0	0	0	114.7	E61 G90 W92	E61-G73 CarbonylContact O-C 3.53Å; E61-G73 VanDerWaalsContact O-CA 3.25Å; E61-G73 WeakPolarHBondContact O-CA 3.33Å; G73-G90 PolarHBondContact N-O 3.46Å; G73-G90 PolarHBondContact O-N 3.28Å; G73-G90 VanDerWaalsContact O-N 3.15Å; G73-W92 PolarHBondContact O-NE1 2.81Å; G73-W92 VanDerWaalsContact O-NE1 3.11Å
74	V	98.8	Very high	96.6	Very high	46 Å²	46	68.7 Å²	68.7	28%	0.279	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	127.4	179.1	-176	0	0	0	0	109.1	Y60 E61 Y88	Y60-V74 CarbonylContact C-O 3.47Å; Y60-V74 VanDerWaalsContact CA-O 3.31Å; Y60-V74 WeakPolarHBondContact CA-O 3.37Å; E61-V74 PolarHBondContact N-O 2.87Å; E61-V74 PolarHBondContact O-N 2.82Å; V74-Y88 CarbonylContact C-O 3.48Å; V74-Y88 WeakPolarHBondContact CA-O 3.45Å
75	L	98.8	Very high	96.5	Very high	12 Å²	12	71.3 Å²	71.3	6%	0.063	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	121.5	167.1	-174.9	71.8	0	0	0	108.2	W53 L58 V59 V87 Y88 W92	W53-L75 HydrophobicContact CZ3-CD1 4.18Å; L58-L75 HydrophobicContact CB-CD1 4.25Å; V59-L75 CarbonylContact O-C 3.58Å; V59-L75 WeakPolarHBondContact O-CA 3.49Å; L75-V87 HydrophobicContact CD2-CB 4.36Å; L75-V87 HydrophobicContact CD2-CG1 4.13Å; L75-V87 HydrophobicContact CG-CB 4.34Å; L75-V87 WeakPolarHBondContact O-CA 3.3Å; L75-V87 WeakPolarHBondContact O-CB 3.39Å; L75-V87 PolarHBondContact O-N 3Å; L75-Y88 PolarHBondContact N-O 2.71Å; L75-Y88 PolarHBondContact O-N 2.94Å; L75-W92 HydrophobicContact CB-CH2 4.36Å; L75-W92 HydrophobicContact CB-CZ2 3.96Å; L75-W92 HydrophobicContact CD2-CH2 4.19Å
76	S	98.4	Very high	96.5	Very high	12 Å²	12	71.7 Å²	71.7	8%	0.084	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	163.4	176.5	68.9	0	0	0	0	111.2	L58 V59 V85	L58-S76 CarbonylContact C-O 3.42Å; L58-S76 WeakPolarHBondContact CA-O 3.42Å; L58-S76 WeakPolarHBondContact CD2-O 3.32Å; V59-S76 PolarHBondContact N-O 2.97Å; V59-S76 PolarHBondContact O-N 2.84Å; S76-V85 CarbonylContact C-O 3.56Å; S76-V85 VanDerWaalsContact CA-O 3.22Å; S76-V85 WeakPolarHBondContact CA-O 3.39Å; S76-V85 WeakPolarHBondContact CB-O 3.3Å
77	R	97.8	Very high	96.5	Very high	116 Å²	116	66.3 Å²	66.3	44%	0.438	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	127.1	172.7	-173.5	-178	-58.4	133.1	6.2	109.2	N57 L58 H84 V85 V87	N57-R77 CarbonylContact O-C 3.58Å; N57-R77 WeakPolarHBondContact O-CA 3.39Å; L58-R77 HydrophobicContact CD2-CB 4.05Å; L58-R77 HydrophobicContact CD2-CG 4.39Å; R77-H84 WeakPolarHBondContact O-CA 3.16Å; R77-V85 HydrophobicContact CB-CG2 3.92Å; R77-V85 PolarHBondContact N-O 3.29Å; R77-V85 PolarHBondContact O-N 2.91Å; R77-V87 HydrophobicContact CB-CG2 4.07Å
78	K	96.6	Very high	96.6	Very high	81 Å²	81	63.7 Å²	63.7	35%	0.352	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	125	174.3	-169.2	172.5	-175.7	173.1	0	110.1	N57 V59	N57-K78 HydrophobicContact CB-CB 4.36Å; N57-K78 PolarHBondContact O-N 3.49Å; V59-K78 HydrophobicContact CG2-CB 4.45Å
79	L	95	Very high	96.6	Very high	67 Å²	67	62.9 Å²	62.9	35%	0.351	33%	0.334	S	S	.	.			trans	-89.7	162.4	177.2	-59.9	-176.4	0	0	0	110.9	N81 G82 K83 V85	L79-N81 VanDerWaalsContact CB-OD1 3.24Å; L79-N81 WeakPolarHBondContact CB-OD1 3.21Å; L79-N81 PolarHBondContact O-N 2.75Å; L79-G82 PolarHBondContact O-N 3.1Å; L79-K83 WeakPolarHBondContact CB-O 3.26Å; L79-K83 HydrophobicContact CD1-CB 4.4Å; L79-K83 PolarHBondContact N-O 3.08Å; L79-V85 HydrophobicContact CD1-CG1 3.76Å; L79-V85 HydrophobicContact CD2-CG2 4.11Å; L79-V85 HydrophobicContact CG-CG1 4.27Å; L79-V85 HydrophobicContact CG-CG2 4.41Å
80	K	92.5	Very high	96.6	Very high	229 Å²	229	61.5 Å²	61.5	100%	0.996	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-30.6	179.2	-67.4	-174.8	179.1	-179.2	0	113.4	G82	K80-G82 PolarHBondContact O-N 3.06Å
81	N	92.5	Very high	96.6	Very high	106 Å²	106	62.5 Å²	62.5	57%	0.567	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	7.5	177.8	65.1	2.2	0	0	0	113.4	L79 K83	L79-N81 VanDerWaalsContact CB-OD1 3.24Å; L79-N81 WeakPolarHBondContact CB-OD1 3.21Å; L79-N81 PolarHBondContact O-N 2.75Å; N81-K83 PolarHBondContact O-N 3.37Å; N81-K83 VanDerWaalsContact OD1-CB 3.31Å; N81-K83 WeakPolarHBondContact OD1-CB 3.31Å; N81-K83 PolarHBondContact OD1-N 2.94Å
82	G	88.9	Confident	96.7	Very high	44 Å²	44	61.7 Å²	61.7	45%	0.454	33%	0.328	S	S	.	.	S	Bend	trans	80.9	-8	-179	0	0	0	0	0	115	L79 K80	L79-G82 PolarHBondContact O-N 3.1Å; K80-G82 PolarHBondContact O-N 3.06Å
83	K	93.4	Very high	96.7	Very high	143 Å²	143	62.7 Å²	62.7	62%	0.622	32%	0.323	S	S	*	.			trans	-72	157.8	173.6	-63.5	-171.6	177.9	-175.3	0	111	L79 N81	L79-K83 WeakPolarHBondContact CB-O 3.26Å; L79-K83 HydrophobicContact CD1-CB 4.4Å; L79-K83 PolarHBondContact N-O 3.08Å; N81-K83 PolarHBondContact O-N 3.37Å; N81-K83 VanDerWaalsContact OD1-CB 3.31Å; N81-K83 WeakPolarHBondContact OD1-CB 3.31Å; N81-K83 PolarHBondContact OD1-N 2.94Å
84	H	93.5	Very high	96.6	Very high	90 Å²	90	69 Å²	69	42%	0.417	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	142.4	172.2	-63.2	77.2	0	0	0	109.3	R77	R77-H84 WeakPolarHBondContact O-CA 3.16Å
85	V	96.9	Very high	96.6	Very high	60 Å²	60	69.6 Å²	69.6	36%	0.364	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	131.7	169.4	-67.1	0	0	0	0	108.9	S76 R77 L79	S76-V85 CarbonylContact C-O 3.56Å; S76-V85 VanDerWaalsContact CA-O 3.22Å; S76-V85 WeakPolarHBondContact CA-O 3.39Å; S76-V85 WeakPolarHBondContact CB-O 3.3Å; R77-V85 HydrophobicContact CB-CG2 3.92Å; R77-V85 PolarHBondContact N-O 3.29Å; R77-V85 PolarHBondContact O-N 2.91Å; L79-V85 HydrophobicContact CD1-CG1 3.76Å; L79-V85 HydrophobicContact CD2-CG2 4.11Å; L79-V85 HydrophobicContact CG-CG1 4.27Å; L79-V85 HydrophobicContact CG-CG2 4.41Å
86	N	97.6	Very high	96.6	Very high	79 Å²	79	73.3 Å²	73.3	42%	0.422	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	139.8	177.8	-70.8	-12.7	0	0	0	109.9	W104	N86-W104 HydrophobicContact CB-CD2 4.02Å; N86-W104 HydrophobicContact CB-CE3 3.62Å; N86-W104 HydrophobicContact CB-CH2 4.31Å; N86-W104 HydrophobicContact CB-CZ3 3.78Å; N86-W104 WeakPolarHBondContact O-CB 3.45Å
87	V	98.4	Very high	96.6	Very high	18 Å²	18	75.4 Å²	75.4	11%	0.109	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	-44.2	171.3	176.7	0	0	0	0	108.7	L58 L75 R77 N103 W104	L58-V87 HydrophobicContact CD2-CG2 4.24Å; L75-V87 HydrophobicContact CD2-CB 4.36Å; L75-V87 HydrophobicContact CD2-CG1 4.13Å; L75-V87 HydrophobicContact CG-CB 4.34Å; L75-V87 WeakPolarHBondContact O-CA 3.3Å; L75-V87 WeakPolarHBondContact O-CB 3.39Å; L75-V87 PolarHBondContact O-N 3Å; R77-V87 HydrophobicContact CB-CG2 4.07Å; V87-N103 WeakPolarHBondContact O-CA 3.42Å; V87-N103 PolarHBondContact O-ND2 3.3Å; V87-W104 PolarHBondContact O-N 3.31Å
88	Y	98.8	Very high	96.6	Very high	0 Å²	0	72.1 Å²	72.1	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	145.6	175.3	179.6	-95	0	0	0	110.9	V74 L75 S91 W92 R97 N102 N103 W115	V74-Y88 CarbonylContact C-O 3.48Å; V74-Y88 WeakPolarHBondContact CA-O 3.45Å; L75-Y88 PolarHBondContact N-O 2.71Å; L75-Y88 PolarHBondContact O-N 2.94Å; Y88-S91 PolarHBondContact OH-N 2.86Å; Y88-S91 PolarHBondContact OH-O 2.95Å; Y88-W92 AromaticContact CD1-CE2 3.47Å; Y88-W92 VanDerWaalsContact CD1-CE2 3.47Å; Y88-W92 HydrophobicContact CD1-CH2 4.14Å; Y88-W92 AromaticContact CD1-CZ2 3.26Å; Y88-W92 HydrophobicContact CD1-CZ2 3.26Å; Y88-W92 AromaticContact CD1-NE1 3.52Å; Y88-W92 HydrophobicContact CE1-CD2 4.32Å; Y88-W92 AromaticContact CE1-CE2 3.59Å; Y88-W92 AromaticContact CE1-CZ2 3.85Å; Y88-W92 HydrophobicContact CE1-CZ2 3.85Å; Y88-W92 AromaticContact CE1-NE1 3.41Å; Y88-W92 HydrophobicContact CG-CZ2 4.06Å; Y88-R97 HydrophobicContact CD1-CG 4.34Å; Y88-R97 HydrophobicContact CD2-CG 3.91Å; Y88-R97 HydrophobicContact CE1-CG 4.11Å; Y88-R97 HydrophobicContact CE2-CB 4.03Å; Y88-R97 HydrophobicContact CE2-CG 3.7Å; Y88-R97 HydrophobicContact CG-CG 4.22Å; Y88-N102 CarbonylContact C-O 3.57Å; Y88-N102 VanDerWaalsContact CA-O 3.22Å; Y88-N102 WeakPolarHBondContact CA-O 3.4Å; Y88-N102 WeakPolarHBondContact CD2-O 3.37Å; Y88-N103 HydrophobicContact CD2-CB 4.07Å; Y88-W115 HydrophobicContact CE2-CD2 4.41Å; Y88-W115 AromaticContact CE2-CE2 3.94Å; Y88-W115 HydrophobicContact CE2-CZ2 4.44Å; Y88-W115 AromaticContact CE2-NE1 3.71Å
89	S	98.7	Very high	96.7	Very high	40 Å²	40	69.6 Å²	69.6	28%	0.28	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	119.2	170.5	179.3	0	0	0	0	108	G101 N102	S89-G101 CarbonylContact O-C 3.08Å; S89-G101 VanDerWaalsContact O-CA 3.27Å; S89-G101 WeakPolarHBondContact O-CA 3.09Å; S89-N102 PolarHBondContact N-O 3.18Å; S89-N102 PolarHBondContact O-N 3.04Å
90	G	98.7	Very high	96.9	Very high	15 Å²	15	72.2 Å²	72.2	16%	0.155	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.9	-156.2	-177.1	0	0	0	0	0	112.7	G73 W92 Y100	G73-G90 PolarHBondContact N-O 3.46Å; G73-G90 PolarHBondContact O-N 3.28Å; G73-G90 VanDerWaalsContact O-N 3.15Å; G90-W92 VanDerWaalsContact O-CD1 3.29Å; G90-Y100 WeakPolarHBondContact CA-O 3.37Å
91	S	98.7	Very high	97.2	Very high	43 Å²	43	61.4 Å²	61.4	30%	0.301	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	147.7	-175.6	-67.5	0	0	0	0	112.7	G71 Y88 H98 Y100	G71-S91 CarbonylContact O-C 3.31Å; G71-S91 WeakPolarHBondContact O-CA 3.3Å; Y88-S91 PolarHBondContact OH-N 2.86Å; Y88-S91 PolarHBondContact OH-O 2.95Å; S91-H98 CarbonylContact C-O 3.36Å; S91-H98 WeakPolarHBondContact CA-O 3.3Å; S91-H98 WeakPolarHBondContact CB-O 3.47Å; S91-H98 PolarHBondContact O-N 2.86Å; S91-Y100 PolarHBondContact N-O 3.48Å; S91-Y100 VanDerWaalsContact N-O 3.11Å
92	W	98.8	Very high	97.5	Very high	13 Å²	13	58.2 Å²	58.2	5%	0.049	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	144.7	-175	-64.1	82.4	0	0	0	109.7	Y60 R69 S70 G71 G73 L75 Y88 G90 K96 R97	Y60-W92 HydrophobicContact CD2-CZ2 4.28Å; Y60-W92 AromaticContact CE2-CD1 3.95Å; Y60-W92 HydrophobicContact CE2-CD2 4.17Å; Y60-W92 AromaticContact CE2-CE2 3.7Å; Y60-W92 HydrophobicContact CE2-CG 4.3Å; Y60-W92 HydrophobicContact CE2-CZ2 4.13Å; Y60-W92 AromaticContact CE2-NE1 3.58Å; R69-W92 HydrophobicContact CB-CB 4.23Å; R69-W92 HydrophobicContact CB-CD2 4.16Å; R69-W92 HydrophobicContact CB-CE3 4.07Å; R69-W92 HydrophobicContact CB-CG 4.25Å; R69-W92 VanDerWaalsContact CZ-CZ3 3.42Å; R69-W92 VanDerWaalsContact NH1-CH2 3.28Å; R69-W92 VanDerWaalsContact NH1-CZ3 3.25Å; S70-W92 CarbonylContact C-O 3.55Å; S70-W92 WeakPolarHBondContact CA-O 3.43Å; G71-W92 PolarHBondContact N-O 3.4Å; G71-W92 PolarHBondContact O-N 2.81Å; G73-W92 PolarHBondContact O-NE1 2.81Å; G73-W92 VanDerWaalsContact O-NE1 3.11Å; L75-W92 HydrophobicContact CB-CH2 4.36Å; L75-W92 HydrophobicContact CB-CZ2 3.96Å; L75-W92 HydrophobicContact CD2-CH2 4.19Å; Y88-W92 AromaticContact CD1-CE2 3.47Å; Y88-W92 VanDerWaalsContact CD1-CE2 3.47Å; Y88-W92 HydrophobicContact CD1-CH2 4.14Å; Y88-W92 AromaticContact CD1-CZ2 3.26Å; Y88-W92 HydrophobicContact CD1-CZ2 3.26Å; Y88-W92 AromaticContact CD1-NE1 3.52Å; Y88-W92 HydrophobicContact CE1-CD2 4.32Å; Y88-W92 AromaticContact CE1-CE2 3.59Å; Y88-W92 AromaticContact CE1-CZ2 3.85Å; Y88-W92 HydrophobicContact CE1-CZ2 3.85Å; Y88-W92 AromaticContact CE1-NE1 3.41Å; Y88-W92 HydrophobicContact CG-CZ2 4.06Å; G90-W92 VanDerWaalsContact O-CD1 3.29Å; W92-K96 CarbonylContact C-O 3.41Å; W92-K96 WeakPolarHBondContact CA-O 3.32Å; W92-R97 HydrophobicContact CH2-CG 4.37Å; W92-R97 HydrophobicContact CZ3-CG 4.28Å
93	K	98.7	Very high	98	Very high	95 Å²	95	56.3 Å²	56.3	41%	0.413	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	122	172.7	-172.7	176.1	-179.1	178.9	0	108.5	D95 K96 H98	K93-D95 VanDerWaalsContact C-N 3.34Å; K93-D95 PolarHBondContact O-N 3.12Å; K93-K96 PolarHBondContact N-O 2.83Å; K93-K96 PolarHBondContact O-N 3.22Å; K93-H98 HydrophobicContact CB-CB 3.62Å
94	Y	97.8	Very high	98.2	Very high	141 Å²	141	53 Å²	53	55%	0.553	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.7	53.9	179.7	-51	-50.7	0	0	0	112.8	M68 R69 K96	M68-Y94 HydrophobicContact CE-CD1 3.85Å; M68-Y94 HydrophobicContact SD-CD1 4.31Å; R69-Y94 PolarHBondContact O-N 2.76Å; Y94-K96 PolarHBondContact O-N 3.3Å; Y94-K96 VanDerWaalsContact O-N 3.09Å
95	D	98.1	Very high	98.4	Very high	58 Å²	58	53.2 Å²	53.2	31%	0.31	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	65	3.7	-178.9	-85.7	-38.4	0	0	0	117.1	M68 R69 K93	M68-D95 WeakPolarHBondContact CA-OD2 3.22Å; M68-D95 HydrophobicContact CB-CB 4.47Å; M68-D95 WeakPolarHBondContact CG-OD2 3.35Å; R69-D95 WeakPolarHBondContact CB-OD1 3.37Å; R69-D95 WeakPolarHBondContact CG-OD1 3.35Å; R69-D95 IonicContact CZ-OD1 3.59Å; R69-D95 PolarHBondContact N-OD1 2.68Å; R69-D95 IonicContact NE-OD1 2.81Å; R69-D95 PolarHBondContact NE-OD1 2.8Å; R69-D95 PolarHBondContact NH2-O 3.41Å; R69-D95 IonicContact NH2-OD1 3.5Å; R69-D95 PolarHBondContact O-N 3.09Å; K93-D95 VanDerWaalsContact C-N 3.34Å; K93-D95 PolarHBondContact O-N 3.12Å
96	K	98.6	Very high	98.4	Very high	90 Å²	90	52.8 Å²	52.8	39%	0.391	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	150	177.6	-63.9	176.8	179.2	-177.6	0	110.9	W92 K93 Y94 H98 D117	W92-K96 CarbonylContact C-O 3.41Å; W92-K96 WeakPolarHBondContact CA-O 3.32Å; K93-K96 PolarHBondContact N-O 2.83Å; K93-K96 PolarHBondContact O-N 3.22Å; Y94-K96 PolarHBondContact O-N 3.3Å; Y94-K96 VanDerWaalsContact O-N 3.09Å; K96-H98 PolarHBondContact O-N 3.41Å; K96-D117 HydrophobicContact CD-CB 4.49Å; K96-D117 WeakPolarHBondContact CD-OD1 3.44Å; K96-D117 WeakPolarHBondContact CE-OD1 3.42Å; K96-D117 IonicContact NZ-OD1 3.27Å; K96-D117 PolarHBondContact NZ-OD1 3.04Å; K96-D117 IonicContact NZ-OD2 3.44Å; K96-D117 PolarHBondContact NZ-OD2 2.89Å
97	R	98.7	Very high	98.2	Very high	55 Å²	55	58.8 Å²	58.8	21%	0.208	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	134.9	170.7	-58.8	169.9	-169.4	162.4	4.6	108.3	Y88 W92 N103 W115 G118	Y88-R97 HydrophobicContact CD1-CG 4.34Å; Y88-R97 HydrophobicContact CD2-CG 3.91Å; Y88-R97 HydrophobicContact CE1-CG 4.11Å; Y88-R97 HydrophobicContact CE2-CB 4.03Å; Y88-R97 HydrophobicContact CE2-CG 3.7Å; Y88-R97 HydrophobicContact CG-CG 4.22Å; W92-R97 HydrophobicContact CH2-CG 4.37Å; W92-R97 HydrophobicContact CZ3-CG 4.28Å; R97-N103 VanDerWaalsContact NH1-CG 3.34Å; R97-N103 PolarHBondContact NH1-ND2 3.22Å; R97-N103 PolarHBondContact NH1-OD1 3.17Å; R97-N103 PolarHBondContact NH2-ND2 2.74Å; R97-W115 HydrophobicContact CB-CB 4.03Å; R97-W115 HydrophobicContact CB-CD2 3.85Å; R97-W115 HydrophobicContact CB-CE3 3.85Å; R97-W115 HydrophobicContact CB-CG 3.93Å; R97-W115 HydrophobicContact CG-CE3 4.43Å; R97-G118 WeakPolarHBondContact O-CA 3.45Å; R97-G118 PolarHBondContact O-N 3.45Å
98	H	98.7	Very high	98.1	Very high	47 Å²	47	62.3 Å²	62.3	22%	0.218	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	148.4	-175.4	-159.1	81.3	0	0	0	110.1	S91 K93 K96 W115 Y116	S91-H98 CarbonylContact C-O 3.36Å; S91-H98 WeakPolarHBondContact CA-O 3.3Å; S91-H98 WeakPolarHBondContact CB-O 3.47Å; S91-H98 PolarHBondContact O-N 2.86Å; K93-H98 HydrophobicContact CB-CB 3.62Å; K96-H98 PolarHBondContact O-N 3.41Å; H98-W115 CarbonylContact C-O 3.55Å; H98-W115 WeakPolarHBondContact CA-O 3.43Å; H98-Y116 AromaticContact CE1-CD2 3.4Å; H98-Y116 VanDerWaalsContact CE1-CD2 3.4Å; H98-Y116 WeakPolarHBondContact CE1-CD2 3.2Å; H98-Y116 AromaticContact CE1-CE2 3.65Å
99	G	98.6	Very high	98.1	Very high	28 Å²	28	65.8 Å²	65.8	29%	0.289	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	64.4	-153.9	-174.6	0	0	0	0	0	111.8	E114 W115	G99-E114 CarbonylContact O-C 3.51Å; G99-W115 PolarHBondContact N-O 2.7Å; G99-W115 WeakPolarHBondContact O-CB 3.45Å; G99-W115 PolarHBondContact O-N 2.7Å
100	Y	98.8	Very high	98.1	Very high	122 Å²	122	65.6 Å²	65.6	48%	0.478	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	141.5	-175.1	-163.3	-92.8	0	0	0	112.9	G90 S91 E112 G113 E114	G90-Y100 WeakPolarHBondContact CA-O 3.37Å; S91-Y100 PolarHBondContact N-O 3.48Å; S91-Y100 VanDerWaalsContact N-O 3.11Å; Y100-E112 HydrophobicContact CE1-CG 4.43Å; Y100-E112 WeakPolarHBondContact OH-CG 3.29Å; Y100-E112 PolarHBondContact OH-OE1 3.19Å; Y100-G113 WeakPolarHBondContact CA-O 2.85Å; Y100-E114 HydrophobicContact CD2-CG 4.35Å
101	G	98.8	Very high	98.1	Very high	2 Å²	2	64.9 Å²	64.9	2%	0.021	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.6	165.2	172.4	0	0	0	0	0	115.3	S89 G113 W115	S89-G101 CarbonylContact O-C 3.08Å; S89-G101 VanDerWaalsContact O-CA 3.27Å; S89-G101 WeakPolarHBondContact O-CA 3.09Å; G101-G113 PolarHBondContact N-O 2.83Å; G101-G113 PolarHBondContact O-N 2.91Å; G101-G113 VanDerWaalsContact O-N 3.14Å; G101-W115 PolarHBondContact O-NE1 2.61Å
102	N	98.8	Very high	98.1	Very high	40 Å²	40	65.3 Å²	65.3	21%	0.214	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	132.3	177.8	-65.9	-46	0	0	0	110.3	Y88 S89 W104 Y111 E112	Y88-N102 CarbonylContact C-O 3.57Å; Y88-N102 VanDerWaalsContact CA-O 3.22Å; Y88-N102 WeakPolarHBondContact CA-O 3.4Å; Y88-N102 WeakPolarHBondContact CD2-O 3.37Å; S89-N102 PolarHBondContact N-O 3.18Å; S89-N102 PolarHBondContact O-N 3.04Å; N102-W104 HydrophobicContact CB-CE3 4.35Å; N102-W104 HydrophobicContact CB-CH2 3.32Å; N102-W104 HydrophobicContact CB-CZ2 3.84Å; N102-W104 HydrophobicContact CB-CZ3 3.61Å; N102-W104 WeakPolarHBondContact O-CZ3 2.89Å; N102-Y111 CarbonylContact C-O 3.54Å; N102-Y111 WeakPolarHBondContact CA-O 3.16Å; N102-E112 WeakPolarHBondContact OD1-CA 3.43Å; N102-E112 VanDerWaalsContact OD1-CB 3.25Å; N102-E112 WeakPolarHBondContact OD1-CB 3.43Å; N102-E112 VanDerWaalsContact OD1-CG 3.26Å; N102-E112 WeakPolarHBondContact OD1-CG 3.31Å
103	N	98.9	Very high	98.1	Very high	3 Å²	3	64.7 Å²	64.7	2%	0.016	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	123.9	174.5	-170.2	-114.7	0	0	0	110.9	V87 Y88 R97 Y105 M110 Y111 W115	V87-N103 WeakPolarHBondContact O-CA 3.42Å; V87-N103 PolarHBondContact O-ND2 3.3Å; Y88-N103 HydrophobicContact CD2-CB 4.07Å; R97-N103 VanDerWaalsContact NH1-CG 3.34Å; R97-N103 PolarHBondContact NH1-ND2 3.22Å; R97-N103 PolarHBondContact NH1-OD1 3.17Å; R97-N103 PolarHBondContact NH2-ND2 2.74Å; N103-Y105 WeakPolarHBondContact OD1-CE1 3.34Å; N103-Y105 WeakPolarHBondContact OD1-CE2 3.03Å; N103-M110 CarbonylContact O-C 3.5Å; N103-M110 VanDerWaalsContact O-CA 3.26Å; N103-M110 WeakPolarHBondContact O-CA 3.46Å; N103-M110 WeakPolarHBondContact O-CG 3.28Å; N103-Y111 PolarHBondContact N-O 3.07Å; N103-Y111 PolarHBondContact O-N 3.01Å; N103-W115 HydrophobicContact CB-CH2 4Å; N103-W115 HydrophobicContact CB-CZ2 3.49Å; N103-W115 VanDerWaalsContact CB-CZ2 3.49Å
104	W	98.6	Very high	98.2	Very high	73 Å²	73	64.4 Å²	64.4	28%	0.277	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	114.4	175.5	-64	-94.6	0	0	0	109	N86 V87 N102 M110	N86-W104 HydrophobicContact CB-CD2 4.02Å; N86-W104 HydrophobicContact CB-CE3 3.62Å; N86-W104 HydrophobicContact CB-CH2 4.31Å; N86-W104 HydrophobicContact CB-CZ3 3.78Å; N86-W104 WeakPolarHBondContact O-CB 3.45Å; V87-W104 PolarHBondContact O-N 3.31Å; N102-W104 HydrophobicContact CB-CE3 4.35Å; N102-W104 HydrophobicContact CB-CH2 3.32Å; N102-W104 HydrophobicContact CB-CZ2 3.84Å; N102-W104 HydrophobicContact CB-CZ3 3.61Å; N102-W104 WeakPolarHBondContact O-CZ3 2.89Å; W104-M110 HydrophobicContact CD2-CG 4.47Å; W104-M110 HydrophobicContact CG-CG 4.23Å; W104-M110 HydrophobicContact CZ2-SD 4.15Å; W104-M110 PolarHBondContact NE1-SD 2.76Å
105	Y	97.6	Very high	98.2	Very high	95 Å²	95	58 Å²	58	37%	0.373	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-37.2	172.6	-60.1	-88.6	0	0	0	110.5	N103 K109 M126	N103-Y105 WeakPolarHBondContact OD1-CE1 3.34Å; N103-Y105 WeakPolarHBondContact OD1-CE2 3.03Å; Y105-K109 HydrophobicContact CD2-CD 4.32Å; Y105-K109 HydrophobicContact CD2-CG 3.95Å; Y105-K109 HydrophobicContact CG-CD 4.21Å; Y105-K109 HydrophobicContact CG-CG 4.24Å; Y105-K109 PolarHBondContact N-O 3.34Å; Y105-M126 HydrophobicContact CE2-CE 3.88Å; Y105-M126 HydrophobicContact CE2-SD 4.27Å
106	S	96.4	Very high	98.2	Very high	51 Å²	51	62.4 Å²	62.4	36%	0.357	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	-179.4	173.2	59.1	0	0	0	0	109.2	N108 K109	S106-N108 PolarHBondContact O-N 2.79Å; S106-N108 PolarHBondContact OG-OD1 3.48Å; S106-K109 PolarHBondContact N-O 2.87Å; S106-K109 PolarHBondContact O-N 2.95Å; S106-K109 WeakPolarHBondContact OG-CB 2.91Å; S106-K109 PolarHBondContact OG-N 2.8Å
107	E	94	Very high	98.2	Very high	205 Å²	205	62 Å²	62	96%	0.958	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-31.6	175.7	-174.3	171.7	-166	0	0	113.2
108	N	96.5	Very high	98.2	Very high	92 Å²	92	60.7 Å²	60.7	49%	0.492	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	13.3	-177.2	64.8	-10.3	0	0	0	114.1	S106 Y128 P129	S106-N108 PolarHBondContact O-N 2.79Å; S106-N108 PolarHBondContact OG-OD1 3.48Å; N108-Y128 CarbonylContact O-C 3.56Å; N108-P129 WeakPolarHBondContact O-CA 3.39Å
109	K	98.5	Very high	98.2	Very high	73 Å²	73	62.1 Å²	62.1	32%	0.317	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	112.8	176.9	-172.1	178.9	175.6	177.4	0	110.1	Y105 S106 Y127 P129	Y105-K109 HydrophobicContact CD2-CD 4.32Å; Y105-K109 HydrophobicContact CD2-CG 3.95Å; Y105-K109 HydrophobicContact CG-CD 4.21Å; Y105-K109 HydrophobicContact CG-CG 4.24Å; Y105-K109 PolarHBondContact N-O 3.34Å; S106-K109 PolarHBondContact N-O 2.87Å; S106-K109 PolarHBondContact O-N 2.95Å; S106-K109 WeakPolarHBondContact OG-CB 2.91Å; S106-K109 PolarHBondContact OG-N 2.8Å; K109-Y127 WeakPolarHBondContact CA-O 3.49Å; K109-P129 HydrophobicContact CB-CG 4.02Å; K109-P129 HydrophobicContact CD-CG 4.18Å; K109-P129 HydrophobicContact CG-CG 4.34Å
110	M	98.6	Very high	98.2	Very high	36 Å²	36	62.6 Å²	62.6	18%	0.177	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	142.6	-173.6	-168.5	-171	74.9	0	0	111	N103 W104 E112 Y127	N103-M110 CarbonylContact O-C 3.5Å; N103-M110 VanDerWaalsContact O-CA 3.26Å; N103-M110 WeakPolarHBondContact O-CA 3.46Å; N103-M110 WeakPolarHBondContact O-CG 3.28Å; W104-M110 HydrophobicContact CD2-CG 4.47Å; W104-M110 HydrophobicContact CG-CG 4.23Å; W104-M110 HydrophobicContact CZ2-SD 4.15Å; W104-M110 PolarHBondContact NE1-SD 2.76Å; M110-E112 HydrophobicContact CE-CB 4.08Å; M110-Y127 HydrophobicContact CB-CD2 4.21Å; M110-Y127 HydrophobicContact CE-CD2 3.52Å; M110-Y127 HydrophobicContact CE-CE2 3.28Å; M110-Y127 PolarHBondContact N-O 2.77Å; M110-Y127 VanDerWaalsContact N-O 3.15Å; M110-Y127 PolarHBondContact O-N 3.27Å
111	Y	98.9	Very high	98.2	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	136.1	164.5	175.6	-93.4	0	0	0	110	N102 N103 E114 W115 R120 R125 M126 W138	N102-Y111 CarbonylContact C-O 3.54Å; N102-Y111 WeakPolarHBondContact CA-O 3.16Å; N103-Y111 PolarHBondContact N-O 3.07Å; N103-Y111 PolarHBondContact O-N 3.01Å; Y111-E114 PolarHBondContact OH-N 2.95Å; Y111-E114 PolarHBondContact OH-O 3.09Å; Y111-W115 AromaticContact CD1-CE2 3.6Å; Y111-W115 HydrophobicContact CD1-CH2 4.27Å; Y111-W115 AromaticContact CD1-CZ2 3.33Å; Y111-W115 HydrophobicContact CD1-CZ2 3.33Å; Y111-W115 AromaticContact CD1-NE1 3.6Å; Y111-W115 HydrophobicContact CE1-CD2 4.45Å; Y111-W115 AromaticContact CE1-CE2 3.65Å; Y111-W115 AromaticContact CE1-CZ2 3.84Å; Y111-W115 HydrophobicContact CE1-CZ2 3.84Å; Y111-W115 AromaticContact CE1-NE1 3.46Å; Y111-W115 HydrophobicContact CG-CZ2 4.18Å; Y111-R120 HydrophobicContact CD1-CG 3.81Å; Y111-R120 HydrophobicContact CD2-CG 3.85Å; Y111-R120 HydrophobicContact CE1-CB 4.22Å; Y111-R120 HydrophobicContact CE1-CG 3.64Å; Y111-R120 HydrophobicContact CE2-CB 3.99Å; Y111-R120 HydrophobicContact CE2-CG 3.69Å; Y111-R120 HydrophobicContact CG-CG 3.88Å; Y111-R125 WeakPolarHBondContact CA-O 3.5Å; Y111-M126 HydrophobicContact CD2-CB 4.42Å; Y111-M126 HydrophobicContact CD2-CE 4.11Å; Y111-M126 HydrophobicContact CG-CE 4.42Å; Y111-W138 HydrophobicContact CD2-CZ2 4.4Å; Y111-W138 AromaticContact CE2-CD1 3.9Å; Y111-W138 HydrophobicContact CE2-CD2 4.1Å; Y111-W138 AromaticContact CE2-CE2 3.73Å; Y111-W138 HydrophobicContact CE2-CG 4.2Å; Y111-W138 HydrophobicContact CE2-CZ2 4.25Å; Y111-W138 AromaticContact CE2-NE1 3.59Å
112	E	98.8	Very high	98.2	Very high	53 Å²	53	59.1 Å²	59.1	25%	0.248	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	118.3	173.5	167.5	175.8	-150.7	0	0	107.4	Y100 N102 M110 G124 R125 Y127	Y100-E112 HydrophobicContact CE1-CG 4.43Å; Y100-E112 WeakPolarHBondContact OH-CG 3.29Å; Y100-E112 PolarHBondContact OH-OE1 3.19Å; N102-E112 WeakPolarHBondContact OD1-CA 3.43Å; N102-E112 VanDerWaalsContact OD1-CB 3.25Å; N102-E112 WeakPolarHBondContact OD1-CB 3.43Å; N102-E112 VanDerWaalsContact OD1-CG 3.26Å; N102-E112 WeakPolarHBondContact OD1-CG 3.31Å; M110-E112 HydrophobicContact CE-CB 4.08Å; E112-G124 CarbonylContact O-C 3.58Å; E112-G124 VanDerWaalsContact O-CA 3.28Å; E112-G124 WeakPolarHBondContact O-CA 3.48Å; E112-R125 PolarHBondContact N-O 3.04Å; E112-R125 PolarHBondContact O-N 3.34Å; E112-Y127 HydrophobicContact CB-CE2 4.49Å; E112-Y127 PolarHBondContact OE2-OH 3.39Å
113	G	98.8	Very high	98.2	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.7	-162.5	-179.9	0	0	0	0	0	114.1	Y100 G101 W115 W123	Y100-G113 WeakPolarHBondContact CA-O 2.85Å; G101-G113 PolarHBondContact N-O 2.83Å; G101-G113 PolarHBondContact O-N 2.91Å; G101-G113 VanDerWaalsContact O-N 3.14Å; G113-W115 VanDerWaalsContact O-CD1 3.26Å; G113-W123 WeakPolarHBondContact CA-O 3.16Å
114	E	98.9	Very high	98.2	Very high	88 Å²	88	62.4 Å²	62.4	41%	0.411	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	146.1	-178	-69.5	-179.4	-86.2	0	0	112.7	G99 Y100 Y111 S121 W123	G99-E114 CarbonylContact O-C 3.51Å; Y100-E114 HydrophobicContact CD2-CG 4.35Å; Y111-E114 PolarHBondContact OH-N 2.95Å; Y111-E114 PolarHBondContact OH-O 3.09Å; E114-S121 CarbonylContact C-O 3.44Å; E114-S121 WeakPolarHBondContact CA-O 3.41Å; E114-S121 WeakPolarHBondContact CB-O 3.48Å; E114-S121 PolarHBondContact O-N 3.09Å; E114-S121 VanDerWaalsContact O-N 3.07Å; E114-W123 PolarHBondContact N-O 3.09Å; E114-W123 PolarHBondContact OE1-N 2.81Å
115	W	98.9	Very high	98.2	Very high	7 Å²	7	62.5 Å²	62.5	3%	0.027	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	139.2	-179.9	-65.4	80.1	0	0	0	109.8	Y88 R97 H98 G99 G101 N103 Y111 G113 G118 K119 R120	Y88-W115 HydrophobicContact CE2-CD2 4.41Å; Y88-W115 AromaticContact CE2-CE2 3.94Å; Y88-W115 HydrophobicContact CE2-CZ2 4.44Å; Y88-W115 AromaticContact CE2-NE1 3.71Å; R97-W115 HydrophobicContact CB-CB 4.03Å; R97-W115 HydrophobicContact CB-CD2 3.85Å; R97-W115 HydrophobicContact CB-CE3 3.85Å; R97-W115 HydrophobicContact CB-CG 3.93Å; R97-W115 HydrophobicContact CG-CE3 4.43Å; H98-W115 CarbonylContact C-O 3.55Å; H98-W115 WeakPolarHBondContact CA-O 3.43Å; G99-W115 PolarHBondContact N-O 2.7Å; G99-W115 WeakPolarHBondContact O-CB 3.45Å; G99-W115 PolarHBondContact O-N 2.7Å; G101-W115 PolarHBondContact O-NE1 2.61Å; N103-W115 HydrophobicContact CB-CH2 4Å; N103-W115 HydrophobicContact CB-CZ2 3.49Å; N103-W115 VanDerWaalsContact CB-CZ2 3.49Å; Y111-W115 AromaticContact CD1-CE2 3.6Å; Y111-W115 HydrophobicContact CD1-CH2 4.27Å; Y111-W115 AromaticContact CD1-CZ2 3.33Å; Y111-W115 HydrophobicContact CD1-CZ2 3.33Å; Y111-W115 AromaticContact CD1-NE1 3.6Å; Y111-W115 HydrophobicContact CE1-CD2 4.45Å; Y111-W115 AromaticContact CE1-CE2 3.65Å; Y111-W115 AromaticContact CE1-CZ2 3.84Å; Y111-W115 HydrophobicContact CE1-CZ2 3.84Å; Y111-W115 AromaticContact CE1-NE1 3.46Å; Y111-W115 HydrophobicContact CG-CZ2 4.18Å; G113-W115 VanDerWaalsContact O-CD1 3.26Å; W115-G118 WeakPolarHBondContact CZ3-O 3.47Å; W115-K119 CarbonylContact C-O 3.48Å; W115-K119 VanDerWaalsContact CA-O 3.31Å; W115-K119 WeakPolarHBondContact CA-O 3.48Å; W115-K119 VanDerWaalsContact CE3-C 3.48Å; W115-R120 HydrophobicContact CE3-CG 4.3Å; W115-R120 HydrophobicContact CH2-CG 3.67Å; W115-R120 HydrophobicContact CZ2-CG 3.99Å; W115-R120 HydrophobicContact CZ3-CG 3.84Å
116	Y	98.7	Very high	98.3	Very high	151 Å²	151	58.1 Å²	58.1	59%	0.592	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.6	128.4	169.7	-172.4	-95.7	0	0	0	109.4	H98 G118 K119	H98-Y116 AromaticContact CE1-CD2 3.4Å; H98-Y116 VanDerWaalsContact CE1-CD2 3.4Å; H98-Y116 WeakPolarHBondContact CE1-CD2 3.2Å; H98-Y116 AromaticContact CE1-CE2 3.65Å; Y116-G118 PolarHBondContact O-N 2.88Å; Y116-K119 PolarHBondContact N-O 2.91Å; Y116-K119 PolarHBondContact O-N 2.8Å
117	D	98	Very high	98.4	Very high	82 Å²	82	58.7 Å²	58.7	44%	0.439	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.1	37.9	-179.6	-156.4	50.1	0	0	0	115.2	K96	K96-D117 HydrophobicContact CD-CB 4.49Å; K96-D117 WeakPolarHBondContact CD-OD1 3.44Å; K96-D117 WeakPolarHBondContact CE-OD1 3.42Å; K96-D117 IonicContact NZ-OD1 3.27Å; K96-D117 PolarHBondContact NZ-OD1 3.04Å; K96-D117 IonicContact NZ-OD2 3.44Å; K96-D117 PolarHBondContact NZ-OD2 2.89Å
118	G	98.4	Very high	98.6	Very high	26 Å²	26	51.7 Å²	51.7	27%	0.268	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.2	-1.1	179.2	0	0	0	0	0	115.7	R97 W115 Y116	R97-G118 WeakPolarHBondContact O-CA 3.45Å; R97-G118 PolarHBondContact O-N 3.45Å; W115-G118 WeakPolarHBondContact CZ3-O 3.47Å; Y116-G118 PolarHBondContact O-N 2.88Å
119	K	98.7	Very high	98.7	Very high	78 Å²	78	50.8 Å²	50.8	34%	0.339	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	151	179.1	-60.4	-177.3	178	-177.8	0	111	W115 Y116 S121 D140 D141	W115-K119 CarbonylContact C-O 3.48Å; W115-K119 VanDerWaalsContact CA-O 3.31Å; W115-K119 WeakPolarHBondContact CA-O 3.48Å; W115-K119 VanDerWaalsContact CE3-C 3.48Å; Y116-K119 PolarHBondContact N-O 2.91Å; Y116-K119 PolarHBondContact O-N 2.8Å; K119-S121 PolarHBondContact O-N 2.83Å; K119-D140 WeakPolarHBondContact CD-OD1 3.28Å; K119-D140 VanDerWaalsContact CE-OD1 3.3Å; K119-D140 WeakPolarHBondContact CE-OD1 3.46Å; K119-D140 IonicContact NZ-OD1 2.83Å; K119-D140 PolarHBondContact NZ-OD1 2.93Å; K119-D140 IonicContact NZ-OD2 3.26Å; K119-D140 PolarHBondContact NZ-OD2 2.85Å; K119-D141 WeakPolarHBondContact CG-OD2 3.31Å
120	R	98.8	Very high	98.6	Very high	38 Å²	38	52 Å²	52	14%	0.143	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	132	172.6	-64	164.7	-78	159.1	1.4	108.7	Y111 W115 W138 D140 D141	Y111-R120 HydrophobicContact CD1-CG 3.81Å; Y111-R120 HydrophobicContact CD2-CG 3.85Å; Y111-R120 HydrophobicContact CE1-CB 4.22Å; Y111-R120 HydrophobicContact CE1-CG 3.64Å; Y111-R120 HydrophobicContact CE2-CB 3.99Å; Y111-R120 HydrophobicContact CE2-CG 3.69Å; Y111-R120 HydrophobicContact CG-CG 3.88Å; W115-R120 HydrophobicContact CE3-CG 4.3Å; W115-R120 HydrophobicContact CH2-CG 3.67Å; W115-R120 HydrophobicContact CZ2-CG 3.99Å; W115-R120 HydrophobicContact CZ3-CG 3.84Å; R120-W138 HydrophobicContact CB-CB 4.23Å; R120-W138 HydrophobicContact CB-CD2 4.24Å; R120-W138 HydrophobicContact CB-CE3 4.17Å; R120-W138 HydrophobicContact CB-CG 4.28Å; R120-D140 PolarHBondContact O-N 2.9Å; R120-D141 WeakPolarHBondContact CB-OD1 3.13Å; R120-D141 WeakPolarHBondContact CG-OD1 3.37Å; R120-D141 VanDerWaalsContact CZ-O 3.29Å; R120-D141 IonicContact CZ-OD1 2.77Å; R120-D141 PolarHBondContact N-OD1 2.82Å; R120-D141 IonicContact NE-OD1 3.21Å; R120-D141 PolarHBondContact NE-OD1 3.41Å; R120-D141 PolarHBondContact NH2-O 3.2Å; R120-D141 IonicContact NH2-OD1 2.81Å; R120-D141 PolarHBondContact NH2-OD1 3.15Å; R120-D141 PolarHBondContact O-N 3.4Å
121	S	98.6	Very high	98.6	Very high	19 Å²	19	52.1 Å²	52.1	13%	0.133	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	152.5	-175.4	-67.8	0	0	0	0	109.2	E114 K119 W138	E114-S121 CarbonylContact C-O 3.44Å; E114-S121 WeakPolarHBondContact CA-O 3.41Å; E114-S121 WeakPolarHBondContact CB-O 3.48Å; E114-S121 PolarHBondContact O-N 3.09Å; E114-S121 VanDerWaalsContact O-N 3.07Å; K119-S121 PolarHBondContact O-N 2.83Å; S121-W138 CarbonylContact C-O 3.51Å; S121-W138 VanDerWaalsContact CA-O 3.3Å; S121-W138 WeakPolarHBondContact CA-O 2.91Å
122	G	98.7	Very high	98.6	Very high	31 Å²	31	52.3 Å²	52.3	32%	0.32	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	74.6	-151.5	-175.3	0	0	0	0	0	111.1	Q137 W138	G122-Q137 CarbonylContact O-C 3.52Å; G122-Q137 WeakPolarHBondContact O-CA 3.21Å; G122-W138 PolarHBondContact N-O 3.05Å; G122-W138 PolarHBondContact O-N 2.93Å
123	W	98.8	Very high	98.6	Very high	113 Å²	113	51.4 Å²	51.4	43%	0.428	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	136.3	-177.2	-157.2	109.1	0	0	0	111.1	G113 E114 R125 E135	G113-W123 WeakPolarHBondContact CA-O 3.16Å; E114-W123 PolarHBondContact N-O 3.09Å; E114-W123 PolarHBondContact OE1-N 2.81Å; W123-R125 HydrophobicContact CZ3-CB 4.34Å; W123-E135 HydrophobicContact CH2-CB 4.43Å; W123-E135 VanDerWaalsContact CH2-CD 3.42Å; W123-E135 HydrophobicContact CH2-CG 3.07Å; W123-E135 WeakPolarHBondContact CH2-OE1 3.39Å; W123-E135 HydrophobicContact CZ2-CG 3.17Å; W123-E135 VanDerWaalsContact CZ2-OE1 3.29Å; W123-E135 WeakPolarHBondContact CZ2-OE1 3.45Å; W123-E135 HydrophobicContact CZ3-CG 4.09Å
124	G	98.9	Very high	98.6	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	163.2	172.5	0	0	0	0	0	115.4	E112 G136 W138	E112-G124 CarbonylContact O-C 3.58Å; E112-G124 VanDerWaalsContact O-CA 3.28Å; E112-G124 WeakPolarHBondContact O-CA 3.48Å; G124-G136 PolarHBondContact N-O 2.86Å; G124-G136 PolarHBondContact O-N 2.74Å; G124-G136 VanDerWaalsContact O-N 3.09Å; G124-W138 PolarHBondContact O-NE1 3.13Å; G124-W138 VanDerWaalsContact O-NE1 3.09Å
125	R	98.9	Very high	98.6	Very high	75 Å²	75	49.6 Å²	49.6	28%	0.283	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	129	175.8	-169.3	-178.4	-77	159.4	4	110.8	Y111 E112 W123 Y127 I133 Y134 E135	Y111-R125 WeakPolarHBondContact CA-O 3.5Å; E112-R125 PolarHBondContact N-O 3.04Å; E112-R125 PolarHBondContact O-N 3.34Å; W123-R125 HydrophobicContact CZ3-CB 4.34Å; R125-Y127 HydrophobicContact CB-CE2 4.39Å; R125-Y127 WeakPolarHBondContact CD-OH 3.42Å; R125-Y127 HydrophobicContact CG-CD2 4.49Å; R125-Y127 HydrophobicContact CG-CE2 3.95Å; R125-Y127 PolarHBondContact NH1-OH 2.91Å; R125-I133 HydrophobicContact CG-CG2 3.61Å; R125-Y134 CarbonylContact C-O 3.32Å; R125-Y134 WeakPolarHBondContact CA-O 3.43Å; R125-Y134 WeakPolarHBondContact CG-O 3.34Å; R125-E135 HydrophobicContact CG-CB 4.38Å; R125-E135 IonicContact CZ-OE1 2.7Å; R125-E135 IonicContact CZ-OE2 2.86Å; R125-E135 IonicContact NE-OE1 2.7Å; R125-E135 IonicContact NE-OE2 3.87Å; R125-E135 PolarHBondContact NE-OE2 2.87Å; R125-E135 IonicContact NH2-OE1 3.91Å; R125-E135 PolarHBondContact NH2-OE1 3.14Å; R125-E135 IonicContact NH2-OE2 3.55Å; R125-E135 PolarHBondContact NH2-OE2 3.46Å
126	M	98.9	Very high	98.6	Very high	3 Å²	3	49.3 Å²	49.3	2%	0.015	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	124.8	173.5	176.7	67.1	78.2	0	0	109.7	Y105 Y111 Y128 I133 Y134 W138	Y105-M126 HydrophobicContact CE2-CE 3.88Å; Y105-M126 HydrophobicContact CE2-SD 4.27Å; Y111-M126 HydrophobicContact CD2-CB 4.42Å; Y111-M126 HydrophobicContact CD2-CE 4.11Å; Y111-M126 HydrophobicContact CG-CE 4.42Å; M126-Y128 HydrophobicContact CB-CE2 4.01Å; M126-Y128 HydrophobicContact CG-CD1 4.12Å; M126-Y128 HydrophobicContact CG-CD2 4Å; M126-Y128 HydrophobicContact CG-CE1 3.72Å; M126-Y128 HydrophobicContact CG-CE2 3.58Å; M126-Y128 HydrophobicContact CG-CG 4.26Å; M126-Y128 VanDerWaalsContact CG-CZ 3.44Å; M126-I133 WeakPolarHBondContact O-CA 3.18Å; M126-Y134 PolarHBondContact N-O 2.9Å; M126-Y134 PolarHBondContact O-N 3.5Å; M126-W138 HydrophobicContact CB-CH2 4.12Å; M126-W138 HydrophobicContact CB-CZ2 3.65Å; M126-W138 HydrophobicContact CE-CH2 4.39Å
127	Y	98.7	Very high	98.6	Very high	63 Å²	63	46.1 Å²	46.1	25%	0.247	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	121.1	171.5	-55.9	-96.6	0	0	0	108.2	K109 M110 E112 R125 I133	K109-Y127 WeakPolarHBondContact CA-O 3.49Å; M110-Y127 HydrophobicContact CB-CD2 4.21Å; M110-Y127 HydrophobicContact CE-CD2 3.52Å; M110-Y127 HydrophobicContact CE-CE2 3.28Å; M110-Y127 PolarHBondContact N-O 2.77Å; M110-Y127 VanDerWaalsContact N-O 3.15Å; M110-Y127 PolarHBondContact O-N 3.27Å; E112-Y127 HydrophobicContact CB-CE2 4.49Å; E112-Y127 PolarHBondContact OE2-OH 3.39Å; R125-Y127 HydrophobicContact CB-CE2 4.39Å; R125-Y127 WeakPolarHBondContact CD-OH 3.42Å; R125-Y127 HydrophobicContact CG-CD2 4.49Å; R125-Y127 HydrophobicContact CG-CE2 3.95Å; R125-Y127 PolarHBondContact NH1-OH 2.91Å; Y127-I133 HydrophobicContact CD1-CD1 3.92Å; Y127-I133 HydrophobicContact CD1-CG1 4Å; Y127-I133 HydrophobicContact CE1-CD1 4.02Å
128	Y	98.5	Very high	98.6	Very high	58 Å²	58	42.5 Å²	42.5	23%	0.227	22%	0.222	C	C	.	.			trans	-97.4	154	-178.5	-65.3	-86.5	0	0	0	111.5	N108 M126 D130 G131 S132 L149	N108-Y128 CarbonylContact O-C 3.56Å; M126-Y128 HydrophobicContact CB-CE2 4.01Å; M126-Y128 HydrophobicContact CG-CD1 4.12Å; M126-Y128 HydrophobicContact CG-CD2 4Å; M126-Y128 HydrophobicContact CG-CE1 3.72Å; M126-Y128 HydrophobicContact CG-CE2 3.58Å; M126-Y128 HydrophobicContact CG-CG 4.26Å; M126-Y128 VanDerWaalsContact CG-CZ 3.44Å; Y128-D130 WeakPolarHBondContact CB-OD1 3.44Å; Y128-D130 PolarHBondContact O-N 2.81Å; Y128-D130 VanDerWaalsContact O-N 3.13Å; Y128-G131 PolarHBondContact O-N 3.47Å; Y128-S132 WeakPolarHBondContact CB-O 3.37Å; Y128-S132 WeakPolarHBondContact CD2-O 3.11Å; Y128-S132 PolarHBondContact N-O 3.46Å; Y128-L149 HydrophobicContact CE2-CD1 4.42Å
129	P	98.3	Very high	98.6	Very high	72 Å²	72	46.4 Å²	46.4	47%	0.468	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-27.7	-179.7	-27.7	34.3	0	0	0	115.7	N108 K109 G131	N108-P129 WeakPolarHBondContact O-CA 3.39Å; K109-P129 HydrophobicContact CB-CG 4.02Å; K109-P129 HydrophobicContact CD-CG 4.18Å; K109-P129 HydrophobicContact CG-CG 4.34Å; P129-G131 PolarHBondContact O-N 3.2Å
130	D	97.8	Very high	98.5	Very high	99 Å²	99	46 Å²	46	53%	0.529	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-4.9	179.7	66.7	-19.7	0	0	0	112.8	Y128 S132 A152	Y128-D130 WeakPolarHBondContact CB-OD1 3.44Å; Y128-D130 PolarHBondContact O-N 2.81Å; Y128-D130 VanDerWaalsContact O-N 3.13Å; D130-S132 WeakPolarHBondContact OD1-CB 3.36Å; D130-S132 PolarHBondContact OD1-N 2.81Å; D130-S132 PolarHBondContact OD1-OG 3Å; D130-S132 PolarHBondContact OD2-OG 3.32Å; D130-A152 WeakPolarHBondContact O-CB 3.44Å
131	G	97.6	Very high	98.5	Very high	38 Å²	38	46.5 Å²	46.5	39%	0.392	24%	0.239	S	C	.	.	S	Bend	trans	89.6	-1.2	-174.9	0	0	0	0	0	114	Y128 P129 R150	Y128-G131 PolarHBondContact O-N 3.47Å; P129-G131 PolarHBondContact O-N 3.2Å; G131-R150 PolarHBondContact O-NH2 2.93Å
132	S	98.5	Very high	98.5	Very high	5 Å²	5	49.5 Å²	49.5	4%	0.035	25%	0.249	C	C	.	.			trans	-66.6	148.8	170.5	-59.8	0	0	0	0	110.2	Y128 D130 R150 L151 A152	Y128-S132 WeakPolarHBondContact CB-O 3.37Å; Y128-S132 WeakPolarHBondContact CD2-O 3.11Å; Y128-S132 PolarHBondContact N-O 3.46Å; D130-S132 WeakPolarHBondContact OD1-CB 3.36Å; D130-S132 PolarHBondContact OD1-N 2.81Å; D130-S132 PolarHBondContact OD1-OG 3Å; D130-S132 PolarHBondContact OD2-OG 3.32Å; S132-R150 CarbonylContact C-O 3.52Å; S132-R150 WeakPolarHBondContact CA-O 3.39Å; S132-R150 WeakPolarHBondContact CB-O 3.38Å; S132-L151 WeakPolarHBondContact OG-CA 3.22Å; S132-A152 PolarHBondContact OG-N 2.87Å
133	I	98.7	Very high	98.5	Very high	34 Å²	34	49.9 Å²	49.9	17%	0.174	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	125.5	178.7	-58.8	177.5	0	0	0	108.6	R125 M126 Y127 L149 R150	R125-I133 HydrophobicContact CG-CG2 3.61Å; M126-I133 WeakPolarHBondContact O-CA 3.18Å; Y127-I133 HydrophobicContact CD1-CD1 3.92Å; Y127-I133 HydrophobicContact CD1-CG1 4Å; Y127-I133 HydrophobicContact CE1-CD1 4.02Å; I133-L149 WeakPolarHBondContact O-CA 3.11Å; I133-R150 VanDerWaalsContact CD1-NH2 3.26Å; I133-R150 PolarHBondContact N-O 3.44Å; I133-R150 PolarHBondContact O-N 2.95Å
134	Y	98.9	Very high	98.5	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	139.8	164.2	175.5	-92.7	0	0	0	109.9	R125 M126 Q137 W138 R143 M148 L149 W161	R125-Y134 CarbonylContact C-O 3.32Å; R125-Y134 WeakPolarHBondContact CA-O 3.43Å; R125-Y134 WeakPolarHBondContact CG-O 3.34Å; M126-Y134 PolarHBondContact N-O 2.9Å; M126-Y134 PolarHBondContact O-N 3.5Å; Y134-Q137 PolarHBondContact OH-N 3.33Å; Y134-Q137 PolarHBondContact OH-O 3.09Å; Y134-W138 AromaticContact CD1-CE2 3.57Å; Y134-W138 HydrophobicContact CD1-CH2 4.24Å; Y134-W138 AromaticContact CD1-CZ2 3.32Å; Y134-W138 HydrophobicContact CD1-CZ2 3.32Å; Y134-W138 AromaticContact CD1-NE1 3.57Å; Y134-W138 HydrophobicContact CE1-CD2 4.37Å; Y134-W138 AromaticContact CE1-CE2 3.56Å; Y134-W138 AromaticContact CE1-CZ2 3.77Å; Y134-W138 HydrophobicContact CE1-CZ2 3.77Å; Y134-W138 AromaticContact CE1-NE1 3.36Å; Y134-W138 HydrophobicContact CG-CZ2 4.23Å; Y134-R143 HydrophobicContact CD1-CG 3.85Å; Y134-R143 HydrophobicContact CD2-CG 3.92Å; Y134-R143 HydrophobicContact CE1-CB 4.19Å; Y134-R143 HydrophobicContact CE1-CG 3.62Å; Y134-R143 HydrophobicContact CE2-CB 3.95Å; Y134-R143 VanDerWaalsContact CE2-CD 3.46Å; Y134-R143 HydrophobicContact CE2-CG 3.7Å; Y134-R143 HydrophobicContact CG-CG 3.96Å; Y134-M148 CarbonylContact C-O 3.49Å; Y134-M148 WeakPolarHBondContact CA-O 3.46Å; Y134-M148 WeakPolarHBondContact CD2-O 3.46Å; Y134-L149 HydrophobicContact CD2-CB 4.33Å; Y134-W161 HydrophobicContact CD2-CZ2 4.16Å; Y134-W161 HydrophobicContact CE2-CD2 4.02Å; Y134-W161 AromaticContact CE2-CE2 3.63Å; Y134-W161 HydrophobicContact CE2-CG 4.29Å; Y134-W161 AromaticContact CE2-CZ2 3.96Å; Y134-W161 HydrophobicContact CE2-CZ2 3.96Å; Y134-W161 AromaticContact CE2-NE1 3.69Å
135	E	98.8	Very high	98.4	Very high	49 Å²	49	46.9 Å²	46.9	23%	0.229	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	115.8	178.8	-176.6	166.5	172.2	0	0	109.3	W123 R125 G147 M148	W123-E135 HydrophobicContact CH2-CB 4.43Å; W123-E135 VanDerWaalsContact CH2-CD 3.42Å; W123-E135 HydrophobicContact CH2-CG 3.07Å; W123-E135 WeakPolarHBondContact CH2-OE1 3.39Å; W123-E135 HydrophobicContact CZ2-CG 3.17Å; W123-E135 VanDerWaalsContact CZ2-OE1 3.29Å; W123-E135 WeakPolarHBondContact CZ2-OE1 3.45Å; W123-E135 HydrophobicContact CZ3-CG 4.09Å; R125-E135 HydrophobicContact CG-CB 4.38Å; R125-E135 IonicContact CZ-OE1 2.7Å; R125-E135 IonicContact CZ-OE2 2.86Å; R125-E135 IonicContact NE-OE1 2.7Å; R125-E135 IonicContact NE-OE2 3.87Å; R125-E135 PolarHBondContact NE-OE2 2.87Å; R125-E135 IonicContact NH2-OE1 3.91Å; R125-E135 PolarHBondContact NH2-OE1 3.14Å; R125-E135 IonicContact NH2-OE2 3.55Å; R125-E135 PolarHBondContact NH2-OE2 3.46Å; E135-G147 CarbonylContact O-C 3.5Å; E135-G147 VanDerWaalsContact O-CA 3.31Å; E135-G147 WeakPolarHBondContact O-CA 3.33Å; E135-M148 HydrophobicContact CB-CE 4.2Å; E135-M148 PolarHBondContact N-O 3.23Å; E135-M148 PolarHBondContact O-N 2.92Å
136	G	98.8	Very high	98.4	Very high	2 Å²	2	48 Å²	48	2%	0.021	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.1	-160.9	-176.4	0	0	0	0	0	113.5	G124 W138 D146	G124-G136 PolarHBondContact N-O 2.86Å; G124-G136 PolarHBondContact O-N 2.74Å; G124-G136 VanDerWaalsContact O-N 3.09Å; G136-W138 VanDerWaalsContact O-CD1 3.31Å; G136-D146 WeakPolarHBondContact CA-O 3.25Å
137	Q	98.8	Very high	98.4	Very high	83 Å²	83	48.4 Å²	48.4	39%	0.388	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	145.9	-179.7	-62.9	173.1	-82.3	0	0	112.1	G122 Y134 H144 D146	G122-Q137 CarbonylContact O-C 3.52Å; G122-Q137 WeakPolarHBondContact O-CA 3.21Å; Y134-Q137 PolarHBondContact OH-N 3.33Å; Y134-Q137 PolarHBondContact OH-O 3.09Å; Q137-H144 CarbonylContact C-O 3.47Å; Q137-H144 VanDerWaalsContact C-O 3.32Å; Q137-H144 WeakPolarHBondContact CB-O 3.46Å; Q137-H144 PolarHBondContact O-N 2.8Å; Q137-D146 PolarHBondContact N-O 2.82Å
138	W	98.8	Very high	98.4	Very high	7 Å²	7	47.5 Å²	47.5	3%	0.027	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	143.7	177.8	-67.9	81.2	0	0	0	109	Y111 R120 S121 G122 G124 M126 Y134 G136 D141 K142 R143	Y111-W138 HydrophobicContact CD2-CZ2 4.4Å; Y111-W138 AromaticContact CE2-CD1 3.9Å; Y111-W138 HydrophobicContact CE2-CD2 4.1Å; Y111-W138 AromaticContact CE2-CE2 3.73Å; Y111-W138 HydrophobicContact CE2-CG 4.2Å; Y111-W138 HydrophobicContact CE2-CZ2 4.25Å; Y111-W138 AromaticContact CE2-NE1 3.59Å; R120-W138 HydrophobicContact CB-CB 4.23Å; R120-W138 HydrophobicContact CB-CD2 4.24Å; R120-W138 HydrophobicContact CB-CE3 4.17Å; R120-W138 HydrophobicContact CB-CG 4.28Å; S121-W138 CarbonylContact C-O 3.51Å; S121-W138 VanDerWaalsContact CA-O 3.3Å; S121-W138 WeakPolarHBondContact CA-O 2.91Å; G122-W138 PolarHBondContact N-O 3.05Å; G122-W138 PolarHBondContact O-N 2.93Å; G124-W138 PolarHBondContact O-NE1 3.13Å; G124-W138 VanDerWaalsContact O-NE1 3.09Å; M126-W138 HydrophobicContact CB-CH2 4.12Å; M126-W138 HydrophobicContact CB-CZ2 3.65Å; M126-W138 HydrophobicContact CE-CH2 4.39Å; Y134-W138 AromaticContact CD1-CE2 3.57Å; Y134-W138 HydrophobicContact CD1-CH2 4.24Å; Y134-W138 AromaticContact CD1-CZ2 3.32Å; Y134-W138 HydrophobicContact CD1-CZ2 3.32Å; Y134-W138 AromaticContact CD1-NE1 3.57Å; Y134-W138 HydrophobicContact CE1-CD2 4.37Å; Y134-W138 AromaticContact CE1-CE2 3.56Å; Y134-W138 AromaticContact CE1-CZ2 3.77Å; Y134-W138 HydrophobicContact CE1-CZ2 3.77Å; Y134-W138 AromaticContact CE1-NE1 3.36Å; Y134-W138 HydrophobicContact CG-CZ2 4.23Å; G136-W138 VanDerWaalsContact O-CD1 3.31Å; W138-D141 WeakPolarHBondContact CZ3-O 3.36Å; W138-K142 CarbonylContact C-O 3.57Å; W138-K142 VanDerWaalsContact CA-O 3.3Å; W138-K142 WeakPolarHBondContact CA-O 3.32Å; W138-K142 VanDerWaalsContact CE3-C 3.46Å; W138-R143 HydrophobicContact CE3-CG 4.29Å; W138-R143 HydrophobicContact CH2-CG 3.69Å; W138-R143 HydrophobicContact CZ2-CG 4.04Å; W138-R143 HydrophobicContact CZ3-CG 3.81Å
139	F	98.1	Very high	98.4	Very high	108 Å²	108	45.7 Å²	45.7	47%	0.474	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	125.7	170.2	-176.1	-105.1	0	0	0	108.8	D141 K142 H144 E240	F139-D141 VanDerWaalsContact C-N 3.35Å; F139-D141 PolarHBondContact O-N 3.15Å; F139-K142 PolarHBondContact N-O 3.21Å; F139-K142 WeakPolarHBondContact O-CB 3.45Å; F139-K142 PolarHBondContact O-N 2.92Å; F139-H144 HydrophobicContact CB-CB 3.71Å; F139-E240 WeakPolarHBondContact CD1-OE1 3.31Å; F139-E240 WeakPolarHBondContact CE1-OE1 3.39Å
140	D	97.5	Very high	98.4	Very high	69 Å²	69	45 Å²	45	37%	0.369	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	50.4	177.6	-151.9	59.3	0	0	0	113.8	K119 R120 K142	K119-D140 WeakPolarHBondContact CD-OD1 3.28Å; K119-D140 VanDerWaalsContact CE-OD1 3.3Å; K119-D140 WeakPolarHBondContact CE-OD1 3.46Å; K119-D140 IonicContact NZ-OD1 2.83Å; K119-D140 PolarHBondContact NZ-OD1 2.93Å; K119-D140 IonicContact NZ-OD2 3.26Å; K119-D140 PolarHBondContact NZ-OD2 2.85Å; R120-D140 PolarHBondContact O-N 2.9Å; D140-K142 PolarHBondContact O-N 2.92Å
141	D	98.4	Very high	98.4	Very high	49 Å²	49	42.7 Å²	42.7	26%	0.262	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.9	4.6	-177.5	-82.7	-41.1	0	0	0	116.8	K119 R120 W138 F139	K119-D141 WeakPolarHBondContact CG-OD2 3.31Å; R120-D141 WeakPolarHBondContact CB-OD1 3.13Å; R120-D141 WeakPolarHBondContact CG-OD1 3.37Å; R120-D141 VanDerWaalsContact CZ-O 3.29Å; R120-D141 IonicContact CZ-OD1 2.77Å; R120-D141 PolarHBondContact N-OD1 2.82Å; R120-D141 IonicContact NE-OD1 3.21Å; R120-D141 PolarHBondContact NE-OD1 3.41Å; R120-D141 PolarHBondContact NH2-O 3.2Å; R120-D141 IonicContact NH2-OD1 2.81Å; R120-D141 PolarHBondContact NH2-OD1 3.15Å; R120-D141 PolarHBondContact O-N 3.4Å; W138-D141 WeakPolarHBondContact CZ3-O 3.36Å; F139-D141 VanDerWaalsContact C-N 3.35Å; F139-D141 PolarHBondContact O-N 3.15Å
142	K	98.5	Very high	98.3	Very high	81 Å²	81	43.4 Å²	43.4	35%	0.352	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	148.4	178	-59.1	173.8	-174.3	163.2	0	111.3	W138 F139 D140 H144 N163 D164	W138-K142 CarbonylContact C-O 3.57Å; W138-K142 VanDerWaalsContact CA-O 3.3Å; W138-K142 WeakPolarHBondContact CA-O 3.32Å; W138-K142 VanDerWaalsContact CE3-C 3.46Å; F139-K142 PolarHBondContact N-O 3.21Å; F139-K142 WeakPolarHBondContact O-CB 3.45Å; F139-K142 PolarHBondContact O-N 2.92Å; D140-K142 PolarHBondContact O-N 2.92Å; K142-H144 PolarHBondContact O-N 2.7Å; K142-N163 HydrophobicContact CD-CB 4.23Å; K142-N163 WeakPolarHBondContact CD-OD1 3.26Å; K142-N163 PolarHBondContact NZ-OD1 2.77Å; K142-N163 VanDerWaalsContact NZ-OD1 3.09Å; K142-D164 HydrophobicContact CB-CB 4.4Å
143	R	98.6	Very high	98.1	Very high	39 Å²	39	46.8 Å²	46.8	15%	0.147	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	133.9	168	-60.7	170.6	-72.9	-178.7	7.1	109	Y134 W138 W161 D164	Y134-R143 HydrophobicContact CD1-CG 3.85Å; Y134-R143 HydrophobicContact CD2-CG 3.92Å; Y134-R143 HydrophobicContact CE1-CB 4.19Å; Y134-R143 HydrophobicContact CE1-CG 3.62Å; Y134-R143 HydrophobicContact CE2-CB 3.95Å; Y134-R143 VanDerWaalsContact CE2-CD 3.46Å; Y134-R143 HydrophobicContact CE2-CG 3.7Å; Y134-R143 HydrophobicContact CG-CG 3.96Å; W138-R143 HydrophobicContact CE3-CG 4.29Å; W138-R143 HydrophobicContact CH2-CG 3.69Å; W138-R143 HydrophobicContact CZ2-CG 4.04Å; W138-R143 HydrophobicContact CZ3-CG 3.81Å; R143-W161 HydrophobicContact CB-CB 4.28Å; R143-W161 HydrophobicContact CB-CD2 4.2Å; R143-W161 HydrophobicContact CB-CE3 4.03Å; R143-W161 HydrophobicContact CB-CG 4.32Å; R143-D164 WeakPolarHBondContact CB-OD1 3.36Å; R143-D164 VanDerWaalsContact CG-OD1 3.32Å; R143-D164 WeakPolarHBondContact CG-OD1 3.27Å; R143-D164 IonicContact CZ-OD1 3.85Å; R143-D164 PolarHBondContact N-OD1 3.23Å; R143-D164 IonicContact NE-OD1 2.95Å; R143-D164 PolarHBondContact NE-OD1 3.09Å; R143-D164 PolarHBondContact NH2-O 3.32Å; R143-D164 PolarHBondContact O-N 2.94Å
144	H	97.9	Very high	97.9	Very high	33 Å²	33	49 Å²	49	15%	0.153	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	163.1	-174.2	-166.2	96.3	0	0	0	108.8	Q137 F139 K142 W161 L162 E240	Q137-H144 CarbonylContact C-O 3.47Å; Q137-H144 VanDerWaalsContact C-O 3.32Å; Q137-H144 WeakPolarHBondContact CB-O 3.46Å; Q137-H144 PolarHBondContact O-N 2.8Å; F139-H144 HydrophobicContact CB-CB 3.71Å; K142-H144 PolarHBondContact O-N 2.7Å; H144-W161 CarbonylContact C-O 3.57Å; H144-W161 WeakPolarHBondContact CA-O 3.33Å; H144-L162 VanDerWaalsContact CE1-CD1 3.48Å; H144-L162 WeakPolarHBondContact CE1-CD1 3.45Å; H144-E240 VanDerWaalsContact CE1-CD 3.48Å; H144-E240 IonicContact CE1-OE1 3.37Å; H144-E240 PolarHBondContact CE1-OE1 3.22Å; H144-E240 IonicContact CE1-OE2 3.55Å; H144-E240 PolarHBondContact CE1-OE2 3.31Å; H144-E240 VanDerWaalsContact CE1-OE2 3.26Å; H144-E240 IonicContact ND1-OE1 2.94Å; H144-E240 IonicContact NE2-OE1 3.55Å; H144-E240 IonicContact NE2-OE2 3.91Å
145	G	97.8	Very high	97.7	Very high	18 Å²	18	49.8 Å²	49.8	19%	0.186	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	60.5	-146.4	173.6	0	0	0	0	0	113	Q160 W161	G145-Q160 CarbonylContact O-C 3.59Å; G145-Q160 WeakPolarHBondContact O-CA 3.26Å; G145-W161 PolarHBondContact N-O 2.97Å; G145-W161 PolarHBondContact O-N 3.36Å
146	D	98.6	Very high	97.6	Very high	98 Å²	98	51 Å²	51	52%	0.524	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	135.8	178.5	-63.9	-48	0	0	0	111.5	G136 Q137	G136-D146 WeakPolarHBondContact CA-O 3.25Å; Q137-D146 PolarHBondContact N-O 2.82Å
147	G	98.7	Very high	97.6	Very high	11 Å²	11	51 Å²	51	11%	0.113	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168	163.6	176.5	0	0	0	0	0	114.7	E135 G159 W161	E135-G147 CarbonylContact O-C 3.5Å; E135-G147 VanDerWaalsContact O-CA 3.31Å; E135-G147 WeakPolarHBondContact O-CA 3.33Å; G147-G159 PolarHBondContact N-O 2.89Å; G147-G159 PolarHBondContact O-N 2.94Å; G147-G159 VanDerWaalsContact O-O 3.11Å; G147-W161 PolarHBondContact O-NE1 3.49Å; G147-W161 VanDerWaalsContact O-NE1 3.1Å
148	M	98.8	Very high	97.6	Very high	44 Å²	44	50 Å²	50	22%	0.217	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	131.7	179.6	-179.2	-86.3	-70.6	0	0	110	Y134 E135 R150 R156 F157 E158	Y134-M148 CarbonylContact C-O 3.49Å; Y134-M148 WeakPolarHBondContact CA-O 3.46Å; Y134-M148 WeakPolarHBondContact CD2-O 3.46Å; E135-M148 HydrophobicContact CB-CE 4.2Å; E135-M148 PolarHBondContact N-O 3.23Å; E135-M148 PolarHBondContact O-N 2.92Å; M148-R150 HydrophobicContact SD-CB 3.85Å; M148-R156 HydrophobicContact CG-CG 3.77Å; M148-R156 HydrophobicContact SD-CG 3.95Å; M148-F157 CarbonylContact C-O 3.56Å; M148-F157 WeakPolarHBondContact CA-O 3.43Å; M148-E158 HydrophobicContact CB-CG 4.09Å; M148-E158 HydrophobicContact CG-CG 3.66Å
149	L	98.8	Very high	97.6	Very high	20 Å²	20	50.5 Å²	50.5	11%	0.105	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	112.8	170.8	176.5	68	0	0	0	108.8	Y128 I133 Y134 L151 R156 F157 W161	Y128-L149 HydrophobicContact CE2-CD1 4.42Å; I133-L149 WeakPolarHBondContact O-CA 3.11Å; Y134-L149 HydrophobicContact CD2-CB 4.33Å; L149-L151 HydrophobicContact CD2-CD2 3.89Å; L149-L151 HydrophobicContact CG-CD2 4.04Å; L149-R156 CarbonylContact O-C 3.34Å; L149-R156 WeakPolarHBondContact O-CA 3.21Å; L149-F157 PolarHBondContact N-O 3.33Å; L149-F157 PolarHBondContact O-N 3.39Å; L149-W161 HydrophobicContact CB-CH2 4Å; L149-W161 HydrophobicContact CB-CZ2 3.72Å; L149-W161 HydrophobicContact CD2-CH2 3.89Å; L149-W161 HydrophobicContact CD2-CZ2 4.47Å
150	R	98.3	Very high	97.6	Very high	59 Å²	59	48.5 Å²	48.5	22%	0.223	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	123.9	168.5	-171.5	-175.2	66.6	74.1	14.2	108.8	G131 S132 I133 M148 E154	G131-R150 PolarHBondContact O-NH2 2.93Å; S132-R150 CarbonylContact C-O 3.52Å; S132-R150 WeakPolarHBondContact CA-O 3.39Å; S132-R150 WeakPolarHBondContact CB-O 3.38Å; I133-R150 VanDerWaalsContact CD1-NH2 3.26Å; I133-R150 PolarHBondContact N-O 3.44Å; I133-R150 PolarHBondContact O-N 2.95Å; M148-R150 HydrophobicContact SD-CB 3.85Å; R150-E154 WeakPolarHBondContact CD-OE2 3.16Å; R150-E154 IonicContact CZ-OE2 3.97Å; R150-E154 IonicContact NH1-OE1 2.9Å; R150-E154 PolarHBondContact NH1-OE1 3.11Å; R150-E154 IonicContact NH1-OE2 2.92Å; R150-E154 PolarHBondContact NH1-OE2 3.3Å
151	L	97.7	Very high	97.6	Very high	49 Å²	49	45.5 Å²	45.5	26%	0.257	24%	0.235	S	C	.	.			trans	-84.1	162.1	177.2	-60.8	179.2	0	0	0	110.8	S132 L149 N153 E154 N155	S132-L151 WeakPolarHBondContact OG-CA 3.22Å; L149-L151 HydrophobicContact CD2-CD2 3.89Å; L149-L151 HydrophobicContact CG-CD2 4.04Å; L151-N153 VanDerWaalsContact CB-OD1 3.28Å; L151-N153 WeakPolarHBondContact CB-OD1 3.4Å; L151-N153 PolarHBondContact O-N 3.11Å; L151-N153 VanDerWaalsContact O-N 3.15Å; L151-E154 WeakPolarHBondContact O-CA 3.47Å; L151-E154 PolarHBondContact O-N 2.71Å; L151-N155 WeakPolarHBondContact CB-O 3.26Å; L151-N155 HydrophobicContact CD1-CB 4.28Å; L151-N155 PolarHBondContact N-O 3Å
152	A	96.2	Very high	97.5	Very high	54 Å²	54	44.2 Å²	44.2	45%	0.446	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-27.9	175.6	0	0	0	0	0	114.1	D130 S132 E154	D130-A152 WeakPolarHBondContact O-CB 3.44Å; S132-A152 PolarHBondContact OG-N 2.87Å; A152-E154 PolarHBondContact O-N 2.95Å
153	N	94.1	Very high	97.4	Very high	76 Å²	76	42.8 Å²	42.8	41%	0.406	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	14	176.4	71.1	-5.8	0	0	0	113.5	L151 N155 N176	L151-N153 VanDerWaalsContact CB-OD1 3.28Å; L151-N153 WeakPolarHBondContact CB-OD1 3.4Å; L151-N153 PolarHBondContact O-N 3.11Å; L151-N153 VanDerWaalsContact O-N 3.15Å; N153-N155 PolarHBondContact ND2-ND2 2.78Å; N153-N155 PolarHBondContact O-N 2.94Å; N153-N155 VanDerWaalsContact O-N 3.13Å; N153-N155 VanDerWaalsContact OD1-CB 3.31Å; N153-N155 WeakPolarHBondContact OD1-CB 3.33Å; N153-N155 PolarHBondContact OD1-N 3.15Å; N153-N155 VanDerWaalsContact OD1-N 3.09Å; N153-N176 PolarHBondContact O-ND2 3.02Å
154	E	93.1	Very high	97.4	Very high	79 Å²	79	43.6 Å²	43.6	37%	0.369	23%	0.231	S	C	.	.	S	Bend	trans	68.1	-9.1	-176	-55.3	-57.2	146.7	0	0	116	R150 L151 A152 R156 L175	R150-E154 WeakPolarHBondContact CD-OE2 3.16Å; R150-E154 IonicContact CZ-OE2 3.97Å; R150-E154 IonicContact NH1-OE1 2.9Å; R150-E154 PolarHBondContact NH1-OE1 3.11Å; R150-E154 IonicContact NH1-OE2 2.92Å; R150-E154 PolarHBondContact NH1-OE2 3.3Å; L151-E154 WeakPolarHBondContact O-CA 3.47Å; L151-E154 PolarHBondContact O-N 2.71Å; A152-E154 PolarHBondContact O-N 2.95Å; E154-R156 PolarHBondContact O-N 3.22Å; E154-L175 HydrophobicContact CB-CD1 4.15Å; E154-L175 WeakPolarHBondContact O-CD1 3.31Å
155	N	95.4	Very high	97.4	Very high	17 Å²	17	46 Å²	46	9%	0.091	24%	0.241	C	C	.	.			trans	-58.1	142.3	171.4	-70.9	-8.5	0	0	0	110	L151 N153 Y172 F173 L175	L151-N155 WeakPolarHBondContact CB-O 3.26Å; L151-N155 HydrophobicContact CD1-CB 4.28Å; L151-N155 PolarHBondContact N-O 3Å; N153-N155 PolarHBondContact ND2-ND2 2.78Å; N153-N155 PolarHBondContact O-N 2.94Å; N153-N155 VanDerWaalsContact O-N 3.13Å; N153-N155 VanDerWaalsContact OD1-CB 3.31Å; N153-N155 WeakPolarHBondContact OD1-CB 3.33Å; N153-N155 PolarHBondContact OD1-N 3.15Å; N153-N155 VanDerWaalsContact OD1-N 3.09Å; N155-Y172 HydrophobicContact CB-CE1 4.01Å; N155-Y172 WeakPolarHBondContact CB-OH 3.49Å; N155-Y172 PolarHBondContact ND2-OH 3.39Å; N155-F173 WeakPolarHBondContact CA-O 3.5Å; N155-L175 PolarHBondContact OD1-N 3.29Å
156	R	97.4	Very high	97.4	Very high	75 Å²	75	46.4 Å²	46.4	28%	0.283	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	134.4	-170.1	-179.9	-178.1	64	177.2	5.2	110.6	M148 L149 E154 E158 Y172 F173	M148-R156 HydrophobicContact CG-CG 3.77Å; M148-R156 HydrophobicContact SD-CG 3.95Å; L149-R156 CarbonylContact O-C 3.34Å; L149-R156 WeakPolarHBondContact O-CA 3.21Å; E154-R156 PolarHBondContact O-N 3.22Å; R156-E158 VanDerWaalsContact CD-OE1 3.26Å; R156-E158 WeakPolarHBondContact CD-OE1 3.4Å; R156-E158 HydrophobicContact CG-CG 4.12Å; R156-E158 IonicContact CZ-OE1 2.83Å; R156-E158 IonicContact NE-OE1 3.93Å; R156-E158 PolarHBondContact NE-OE1 2.81Å; R156-E158 IonicContact NH1-OE1 2.61Å; R156-E158 PolarHBondContact NH1-OE1 2.87Å; R156-E158 IonicContact NH2-OE1 3.01Å; R156-E158 PolarHBondContact NH2-OE1 2.81Å; R156-Y172 CarbonylContact O-C 3.51Å; R156-Y172 WeakPolarHBondContact O-CA 3.37Å; R156-F173 HydrophobicContact CB-CB 4.28Å; R156-F173 HydrophobicContact CB-CD2 4.3Å; R156-F173 HydrophobicContact CG-CD2 4.4Å; R156-F173 PolarHBondContact N-O 3.45Å; R156-F173 VanDerWaalsContact N-O 3.12Å; R156-F173 VanDerWaalsContact NH2-CE1 3.35Å; R156-F173 VanDerWaalsContact NH2-CZ 3.29Å; R156-F173 PolarHBondContact O-N 2.96Å
157	F	98.6	Very high	97.3	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.009	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	137.4	165.2	176.9	-95.1	0	0	0	109.6	M148 L149 W161 K166 K171 Y172 W185	M148-F157 CarbonylContact C-O 3.56Å; M148-F157 WeakPolarHBondContact CA-O 3.43Å; L149-F157 PolarHBondContact N-O 3.33Å; L149-F157 PolarHBondContact O-N 3.39Å; F157-W161 AromaticContact CD1-CE2 3.8Å; F157-W161 HydrophobicContact CD1-CH2 4.27Å; F157-W161 AromaticContact CD1-CZ2 3.44Å; F157-W161 HydrophobicContact CD1-CZ2 3.44Å; F157-W161 VanDerWaalsContact CD1-CZ2 3.44Å; F157-W161 AromaticContact CD1-NE1 3.91Å; F157-W161 AromaticContact CE1-CE2 3.75Å; F157-W161 AromaticContact CE1-CZ2 3.85Å; F157-W161 HydrophobicContact CE1-CZ2 3.85Å; F157-W161 AromaticContact CE1-NE1 3.67Å; F157-W161 HydrophobicContact CG-CZ2 4.48Å; F157-K166 HydrophobicContact CD1-CD 4.06Å; F157-K166 HydrophobicContact CD1-CG 3.9Å; F157-K166 HydrophobicContact CD2-CD 3.69Å; F157-K166 HydrophobicContact CD2-CG 4.31Å; F157-K166 HydrophobicContact CE1-CB 4.07Å; F157-K166 HydrophobicContact CE1-CD 4.06Å; F157-K166 HydrophobicContact CE1-CG 3.59Å; F157-K166 HydrophobicContact CE2-CB 4.24Å; F157-K166 HydrophobicContact CE2-CD 3.7Å; F157-K166 HydrophobicContact CE2-CG 4.03Å; F157-K166 HydrophobicContact CG-CD 3.85Å; F157-K166 HydrophobicContact CG-CG 4.22Å; F157-K166 HydrophobicContact CZ-CB 3.74Å; F157-K166 HydrophobicContact CZ-CD 3.87Å; F157-K166 HydrophobicContact CZ-CG 3.65Å; F157-K171 CarbonylContact C-O 3.49Å; F157-K171 VanDerWaalsContact CA-O 3.3Å; F157-K171 WeakPolarHBondContact CA-O 3.25Å; F157-K171 WeakPolarHBondContact CD2-O 3.48Å; F157-Y172 HydrophobicContact CB-CD2 4Å; F157-Y172 HydrophobicContact CB-CE2 4.5Å; F157-Y172 HydrophobicContact CD2-CD2 4.23Å; F157-W185 HydrophobicContact CD2-CH2 4.43Å; F157-W185 AromaticContact CD2-CZ2 3.98Å; F157-W185 HydrophobicContact CD2-CZ2 3.98Å; F157-W185 AromaticContact CE2-CD1 3.86Å; F157-W185 AromaticContact CE2-CD2 3.81Å; F157-W185 HydrophobicContact CE2-CD2 3.81Å; F157-W185 AromaticContact CE2-CE2 3.49Å; F157-W185 VanDerWaalsContact CE2-CE2 3.49Å; F157-W185 HydrophobicContact CE2-CE3 4.48Å; F157-W185 HydrophobicContact CE2-CG 4.05Å; F157-W185 AromaticContact CE2-CZ2 3.89Å; F157-W185 HydrophobicContact CE2-CZ2 3.89Å; F157-W185 AromaticContact CE2-NE1 3.55Å; F157-W185 HydrophobicContact CZ-CD2 4.49Å; F157-W185 HydrophobicContact CZ-CG 4.39Å
158	E	98.6	Very high	97.2	Very high	63 Å²	63	41.9 Å²	41.9	29%	0.294	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	125.2	172.4	-65.9	177.5	175.4	0	0	108.1	M148 R156 G170 K171 F173	M148-E158 HydrophobicContact CB-CG 4.09Å; M148-E158 HydrophobicContact CG-CG 3.66Å; R156-E158 VanDerWaalsContact CD-OE1 3.26Å; R156-E158 WeakPolarHBondContact CD-OE1 3.4Å; R156-E158 HydrophobicContact CG-CG 4.12Å; R156-E158 IonicContact CZ-OE1 2.83Å; R156-E158 IonicContact NE-OE1 3.93Å; R156-E158 PolarHBondContact NE-OE1 2.81Å; R156-E158 IonicContact NH1-OE1 2.61Å; R156-E158 PolarHBondContact NH1-OE1 2.87Å; R156-E158 IonicContact NH2-OE1 3.01Å; R156-E158 PolarHBondContact NH2-OE1 2.81Å; E158-G170 CarbonylContact O-C 3.48Å; E158-G170 VanDerWaalsContact O-CA 3.29Å; E158-G170 WeakPolarHBondContact O-CA 3.39Å; E158-K171 PolarHBondContact N-O 3.2Å; E158-K171 PolarHBondContact O-N 3.35Å; E158-F173 HydrophobicContact CB-CE2 4.32Å; E158-F173 HydrophobicContact CG-CE2 4.02Å; E158-F173 WeakPolarHBondContact OE2-CE2 3.45Å
159	G	98.4	Very high	97.1	Very high	16 Å²	16	43.2 Å²	43.2	17%	0.165	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.7	-158.7	178.3	0	0	0	0	0	113.4	G147 W161 V169	G147-G159 PolarHBondContact N-O 2.89Å; G147-G159 PolarHBondContact O-N 2.94Å; G147-G159 VanDerWaalsContact O-O 3.11Å; G159-W161 PolarHBondContact O-NE1 2.8Å; G159-V169 VanDerWaalsContact CA-O 3.31Å; G159-V169 WeakPolarHBondContact CA-O 3.36Å
160	Q	98.1	Very high	97.1	Very high	66 Å²	66	42.3 Å²	42.3	31%	0.308	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	141.5	-174.8	-64.5	-176.8	-46.9	0	0	112.3	G145 N167 V169	G145-Q160 CarbonylContact O-C 3.59Å; G145-Q160 WeakPolarHBondContact O-CA 3.26Å; Q160-N167 CarbonylContact C-O 3.28Å; Q160-N167 VanDerWaalsContact C-O 3.28Å; Q160-N167 WeakPolarHBondContact CB-O 3.49Å; Q160-N167 PolarHBondContact O-N 3.4Å; Q160-V169 PolarHBondContact N-O 2.98Å
161	W	97.9	Very high	97.1	Very high	7 Å²	7	43.2 Å²	43.2	3%	0.027	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	139.3	-179.3	-63.4	81.6	0	0	0	109.8	Y134 R143 H144 G145 G147 L149 F157 G159 K165 K166	Y134-W161 HydrophobicContact CD2-CZ2 4.16Å; Y134-W161 HydrophobicContact CE2-CD2 4.02Å; Y134-W161 AromaticContact CE2-CE2 3.63Å; Y134-W161 HydrophobicContact CE2-CG 4.29Å; Y134-W161 AromaticContact CE2-CZ2 3.96Å; Y134-W161 HydrophobicContact CE2-CZ2 3.96Å; Y134-W161 AromaticContact CE2-NE1 3.69Å; R143-W161 HydrophobicContact CB-CB 4.28Å; R143-W161 HydrophobicContact CB-CD2 4.2Å; R143-W161 HydrophobicContact CB-CE3 4.03Å; R143-W161 HydrophobicContact CB-CG 4.32Å; H144-W161 CarbonylContact C-O 3.57Å; H144-W161 WeakPolarHBondContact CA-O 3.33Å; G145-W161 PolarHBondContact N-O 2.97Å; G145-W161 PolarHBondContact O-N 3.36Å; G147-W161 PolarHBondContact O-NE1 3.49Å; G147-W161 VanDerWaalsContact O-NE1 3.1Å; L149-W161 HydrophobicContact CB-CH2 4Å; L149-W161 HydrophobicContact CB-CZ2 3.72Å; L149-W161 HydrophobicContact CD2-CH2 3.89Å; L149-W161 HydrophobicContact CD2-CZ2 4.47Å; F157-W161 AromaticContact CD1-CE2 3.8Å; F157-W161 HydrophobicContact CD1-CH2 4.27Å; F157-W161 AromaticContact CD1-CZ2 3.44Å; F157-W161 HydrophobicContact CD1-CZ2 3.44Å; F157-W161 VanDerWaalsContact CD1-CZ2 3.44Å; F157-W161 AromaticContact CD1-NE1 3.91Å; F157-W161 AromaticContact CE1-CE2 3.75Å; F157-W161 AromaticContact CE1-CZ2 3.85Å; F157-W161 HydrophobicContact CE1-CZ2 3.85Å; F157-W161 AromaticContact CE1-NE1 3.67Å; F157-W161 HydrophobicContact CG-CZ2 4.48Å; G159-W161 PolarHBondContact O-NE1 2.8Å; W161-K165 CarbonylContact C-O 3.52Å; W161-K165 VanDerWaalsContact CA-O 3.31Å; W161-K165 WeakPolarHBondContact CA-O 3.25Å; W161-K166 HydrophobicContact CE3-CG 4.28Å; W161-K166 HydrophobicContact CH2-CG 3.83Å; W161-K166 HydrophobicContact CZ2-CG 4.21Å; W161-K166 HydrophobicContact CZ3-CG 3.86Å
162	L	97	Very high	97.1	Very high	22 Å²	22	42.3 Å²	42.3	12%	0.115	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	122.5	171.2	-178.6	62.3	0	0	0	108.3	H144 D164 K165 N167 N238	H144-L162 VanDerWaalsContact CE1-CD1 3.48Å; H144-L162 WeakPolarHBondContact CE1-CD1 3.45Å; L162-D164 PolarHBondContact O-N 2.86Å; L162-K165 PolarHBondContact N-O 2.93Å; L162-K165 PolarHBondContact O-N 2.89Å; L162-K165 VanDerWaalsContact O-N 3.12Å; L162-N167 HydrophobicContact CB-CB 3.64Å; L162-N238 WeakPolarHBondContact CD1-OD1 3.41Å; L162-N238 HydrophobicContact CD2-CB 4.07Å
163	N	95.9	Very high	97.1	Very high	51 Å²	51	40.7 Å²	40.7	27%	0.273	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	54.3	177.8	-75.1	-62.7	0	0	0	113.1	K142 K165	K142-N163 HydrophobicContact CD-CB 4.23Å; K142-N163 WeakPolarHBondContact CD-OD1 3.26Å; K142-N163 PolarHBondContact NZ-OD1 2.77Å; K142-N163 VanDerWaalsContact NZ-OD1 3.09Å; N163-K165 PolarHBondContact O-N 3.28Å
164	D	97.7	Very high	97.1	Very high	55 Å²	55	39.7 Å²	39.7	29%	0.294	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.7	3.4	179.8	-91.8	-33.1	0	0	0	116.8	K142 R143 L162	K142-D164 HydrophobicContact CB-CB 4.4Å; R143-D164 WeakPolarHBondContact CB-OD1 3.36Å; R143-D164 VanDerWaalsContact CG-OD1 3.32Å; R143-D164 WeakPolarHBondContact CG-OD1 3.27Å; R143-D164 IonicContact CZ-OD1 3.85Å; R143-D164 PolarHBondContact N-OD1 3.23Å; R143-D164 IonicContact NE-OD1 2.95Å; R143-D164 PolarHBondContact NE-OD1 3.09Å; R143-D164 PolarHBondContact NH2-O 3.32Å; R143-D164 PolarHBondContact O-N 2.94Å; L162-D164 PolarHBondContact O-N 2.86Å
165	K	97.8	Very high	97	Very high	84 Å²	84	39.4 Å²	39.4	37%	0.365	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	149.1	178.7	-58.9	-177.9	-174.2	177.3	0	111.5	W161 L162 N163 N167 D187 D188	W161-K165 CarbonylContact C-O 3.52Å; W161-K165 VanDerWaalsContact CA-O 3.31Å; W161-K165 WeakPolarHBondContact CA-O 3.25Å; L162-K165 PolarHBondContact N-O 2.93Å; L162-K165 PolarHBondContact O-N 2.89Å; L162-K165 VanDerWaalsContact O-N 3.12Å; N163-K165 PolarHBondContact O-N 3.28Å; K165-N167 PolarHBondContact O-N 3.25Å; K165-D187 HydrophobicContact CD-CB 3.99Å; K165-D187 WeakPolarHBondContact CD-OD1 3.17Å; K165-D187 IonicContact NZ-OD1 2.84Å; K165-D187 PolarHBondContact NZ-OD1 3.21Å; K165-D188 WeakPolarHBondContact CA-OD1 3.24Å; K165-D188 WeakPolarHBondContact CG-OD2 3.38Å
166	K	97.8	Very high	96.7	Very high	27 Å²	27	41.3 Å²	41.3	12%	0.117	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	120.9	169.8	-55.1	166.2	-177.5	173.9	0	108.4	F157 W161 W185 D187 D188	F157-K166 HydrophobicContact CD1-CD 4.06Å; F157-K166 HydrophobicContact CD1-CG 3.9Å; F157-K166 HydrophobicContact CD2-CD 3.69Å; F157-K166 HydrophobicContact CD2-CG 4.31Å; F157-K166 HydrophobicContact CE1-CB 4.07Å; F157-K166 HydrophobicContact CE1-CD 4.06Å; F157-K166 HydrophobicContact CE1-CG 3.59Å; F157-K166 HydrophobicContact CE2-CB 4.24Å; F157-K166 HydrophobicContact CE2-CD 3.7Å; F157-K166 HydrophobicContact CE2-CG 4.03Å; F157-K166 HydrophobicContact CG-CD 3.85Å; F157-K166 HydrophobicContact CG-CG 4.22Å; F157-K166 HydrophobicContact CZ-CB 3.74Å; F157-K166 HydrophobicContact CZ-CD 3.87Å; F157-K166 HydrophobicContact CZ-CG 3.65Å; W161-K166 HydrophobicContact CE3-CG 4.28Å; W161-K166 HydrophobicContact CH2-CG 3.83Å; W161-K166 HydrophobicContact CZ2-CG 4.21Å; W161-K166 HydrophobicContact CZ3-CG 3.86Å; K166-W185 HydrophobicContact CB-CB 3.99Å; K166-W185 HydrophobicContact CB-CD2 4.19Å; K166-W185 HydrophobicContact CB-CE3 3.98Å; K166-W185 HydrophobicContact CB-CG 4.22Å; K166-W185 HydrophobicContact CD-CD2 4.09Å; K166-W185 HydrophobicContact CD-CE3 3.5Å; K166-W185 HydrophobicContact CD-CH2 4.22Å; K166-W185 HydrophobicContact CD-CZ3 3.58Å; K166-W185 HydrophobicContact CG-CE3 4.42Å; K166-D187 PolarHBondContact O-N 3.26Å; K166-D188 WeakPolarHBondContact CG-OD1 3.4Å; K166-D188 PolarHBondContact N-OD1 3.31Å; K166-D188 PolarHBondContact O-N 3.48Å
167	N	96.8	Very high	96.3	Very high	14 Å²	14	39.5 Å²	39.5	8%	0.075	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	115.9	-175.7	-92.3	-58.3	0	0	0	108.6	Q160 L162 K165 W185 C186 D187 I234	Q160-N167 CarbonylContact C-O 3.28Å; Q160-N167 VanDerWaalsContact C-O 3.28Å; Q160-N167 WeakPolarHBondContact CB-O 3.49Å; Q160-N167 PolarHBondContact O-N 3.4Å; L162-N167 HydrophobicContact CB-CB 3.64Å; K165-N167 PolarHBondContact O-N 3.25Å; N167-W185 CarbonylContact C-O 3.57Å; N167-W185 WeakPolarHBondContact CA-O 3.34Å; N167-C186 WeakPolarHBondContact OD1-CA 3.41Å; N167-D187 PolarHBondContact OD1-N 3.43Å; N167-I234 HydrophobicContact CB-CG2 4.44Å
168	G	96.9	Very high	95.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	110.8	-155.8	-178.4	0	0	0	0	0	112.4	I184 W185	G168-I184 WeakPolarHBondContact O-CA 3.23Å; G168-W185 PolarHBondContact N-O 2.89Å; G168-W185 PolarHBondContact O-N 3.13Å
169	V	97	Very high	95.7	Very high	71 Å²	71	38.1 Å²	38.1	43%	0.43	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	134.4	-179.7	-176.8	0	0	0	0	109.8	G159 Q160 I184 M231	G159-V169 VanDerWaalsContact CA-O 3.31Å; G159-V169 WeakPolarHBondContact CA-O 3.36Å; Q160-V169 PolarHBondContact N-O 2.98Å; V169-I184 HydrophobicContact CB-CD1 4.29Å; V169-I184 HydrophobicContact CG2-CD1 3.57Å; V169-M231 HydrophobicContact CG2-CE 4.48Å; V169-M231 HydrophobicContact CG2-SD 4.34Å
170	G	98	Very high	95.6	Very high	2 Å²	2	38.2 Å²	38.2	2%	0.021	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	155.8	177.2	0	0	0	0	0	115.3	E158 G183 W185	E158-G170 CarbonylContact O-C 3.48Å; E158-G170 VanDerWaalsContact O-CA 3.29Å; E158-G170 WeakPolarHBondContact O-CA 3.39Å; G170-G183 PolarHBondContact N-O 3.49Å; G170-G183 PolarHBondContact O-N 2.8Å; G170-W185 PolarHBondContact O-NE1 3.44Å
171	K	98.2	Very high	95.5	Very high	78 Å²	78	35.9 Å²	35.9	34%	0.339	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	132.4	179.7	-69.8	176.2	178.3	178.9	0	109.5	F157 E158 F173 L180 M181 E182	F157-K171 CarbonylContact C-O 3.49Å; F157-K171 VanDerWaalsContact CA-O 3.3Å; F157-K171 WeakPolarHBondContact CA-O 3.25Å; F157-K171 WeakPolarHBondContact CD2-O 3.48Å; E158-K171 PolarHBondContact N-O 3.2Å; E158-K171 PolarHBondContact O-N 3.35Å; K171-F173 HydrophobicContact CB-CD2 4.49Å; K171-F173 HydrophobicContact CB-CE2 3.77Å; K171-F173 HydrophobicContact CB-CZ 4.2Å; K171-F173 HydrophobicContact CD-CZ 4.36Å; K171-L180 HydrophobicContact CB-CD1 3.85Å; K171-L180 HydrophobicContact CG-CD1 4.18Å; K171-M181 CarbonylContact C-O 3.47Å; K171-M181 VanDerWaalsContact CA-O 3.32Å; K171-M181 WeakPolarHBondContact CA-O 3.41Å; K171-E182 WeakPolarHBondContact CE-OE1 3.43Å; K171-E182 VanDerWaalsContact CE-OE2 3.28Å; K171-E182 WeakPolarHBondContact CE-OE2 3.47Å; K171-E182 HydrophobicContact CG-CB 4.17Å; K171-E182 HydrophobicContact CG-CG 3.95Å; K171-E182 IonicContact NZ-OE1 3.09Å; K171-E182 IonicContact NZ-OE2 3.85Å
172	Y	97.8	Very high	95.4	Very high	30 Å²	30	39.5 Å²	39.5	12%	0.118	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	118.5	172.4	-167.6	-78.5	0	0	0	109.6	N155 R156 F157 F174 M181 W185	N155-Y172 HydrophobicContact CB-CE1 4.01Å; N155-Y172 WeakPolarHBondContact CB-OH 3.49Å; N155-Y172 PolarHBondContact ND2-OH 3.39Å; R156-Y172 CarbonylContact O-C 3.51Å; R156-Y172 WeakPolarHBondContact O-CA 3.37Å; F157-Y172 HydrophobicContact CB-CD2 4Å; F157-Y172 HydrophobicContact CB-CE2 4.5Å; F157-Y172 HydrophobicContact CD2-CD2 4.23Å; Y172-F174 AromaticContact CD1-CD1 3.9Å; Y172-F174 HydrophobicContact CD1-CD1 3.9Å; Y172-F174 AromaticContact CD1-CD2 3.86Å; Y172-F174 HydrophobicContact CD1-CD2 3.86Å; Y172-F174 AromaticContact CD1-CE1 3.66Å; Y172-F174 HydrophobicContact CD1-CE1 3.66Å; Y172-F174 AromaticContact CD1-CE2 3.62Å; Y172-F174 HydrophobicContact CD1-CE2 3.62Å; Y172-F174 AromaticContact CD1-CG 3.99Å; Y172-F174 HydrophobicContact CD1-CG 3.99Å; Y172-F174 AromaticContact CD1-CZ 3.51Å; Y172-F174 HydrophobicContact CD1-CZ 3.51Å; Y172-F174 AromaticContact CE1-CD1 3.54Å; Y172-F174 HydrophobicContact CE1-CD1 3.54Å; Y172-F174 HydrophobicContact CE1-CD2 4.34Å; Y172-F174 AromaticContact CE1-CE1 3.41Å; Y172-F174 HydrophobicContact CE1-CE1 3.41Å; Y172-F174 VanDerWaalsContact CE1-CE1 3.41Å; Y172-F174 HydrophobicContact CE1-CE2 4.24Å; Y172-F174 HydrophobicContact CE1-CG 4.01Å; Y172-F174 AromaticContact CE1-CZ 3.78Å; Y172-F174 HydrophobicContact CE1-CZ 3.78Å; Y172-F174 HydrophobicContact CG-CZ 4.47Å; Y172-M181 PolarHBondContact N-O 3.24Å; Y172-M181 PolarHBondContact O-N 3.05Å; Y172-W185 HydrophobicContact CD2-CH2 4.08Å; Y172-W185 HydrophobicContact CD2-CZ2 4.38Å; Y172-W185 HydrophobicContact CG-CH2 4.43Å; Y172-W185 HydrophobicContact CG-CZ2 4.43Å
173	F	96.4	Very high	95.4	Very high	19 Å²	19	38.5 Å²	38.5	8%	0.083	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	112	179.9	-58.9	-98.4	0	0	0	109	N155 R156 E158 K171 L175 L180 L198	N155-F173 WeakPolarHBondContact CA-O 3.5Å; R156-F173 HydrophobicContact CB-CB 4.28Å; R156-F173 HydrophobicContact CB-CD2 4.3Å; R156-F173 HydrophobicContact CG-CD2 4.4Å; R156-F173 PolarHBondContact N-O 3.45Å; R156-F173 VanDerWaalsContact N-O 3.12Å; R156-F173 VanDerWaalsContact NH2-CE1 3.35Å; R156-F173 VanDerWaalsContact NH2-CZ 3.29Å; R156-F173 PolarHBondContact O-N 2.96Å; E158-F173 HydrophobicContact CB-CE2 4.32Å; E158-F173 HydrophobicContact CG-CE2 4.02Å; E158-F173 WeakPolarHBondContact OE2-CE2 3.45Å; K171-F173 HydrophobicContact CB-CD2 4.49Å; K171-F173 HydrophobicContact CB-CE2 3.77Å; K171-F173 HydrophobicContact CB-CZ 4.2Å; K171-F173 HydrophobicContact CD-CZ 4.36Å; F173-L175 VanDerWaalsContact C-N 3.33Å; F173-L175 HydrophobicContact CB-CD2 3.83Å; F173-L175 HydrophobicContact CB-CG 4.22Å; F173-L175 PolarHBondContact O-N 3.43Å; F173-L180 HydrophobicContact CD1-CD1 3.99Å; F173-L180 HydrophobicContact CD2-CD1 4.45Å; F173-L180 HydrophobicContact CE1-CD1 3.85Å; F173-L180 HydrophobicContact CE2-CD1 4.32Å; F173-L180 HydrophobicContact CG-CD1 4.29Å; F173-L180 HydrophobicContact CZ-CD1 4.02Å; F173-L198 HydrophobicContact CD1-CD2 4.14Å; F173-L198 HydrophobicContact CE1-CD2 4.5Å
174	F	94.7	Very high	95.4	Very high	56 Å²	56	36.2 Å²	36.2	25%	0.246	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	78.8	167.5	-58	-88.3	0	0	0	108.4	Y172 N176 T177 G178 Q179 M181	Y172-F174 AromaticContact CD1-CD1 3.9Å; Y172-F174 HydrophobicContact CD1-CD1 3.9Å; Y172-F174 AromaticContact CD1-CD2 3.86Å; Y172-F174 HydrophobicContact CD1-CD2 3.86Å; Y172-F174 AromaticContact CD1-CE1 3.66Å; Y172-F174 HydrophobicContact CD1-CE1 3.66Å; Y172-F174 AromaticContact CD1-CE2 3.62Å; Y172-F174 HydrophobicContact CD1-CE2 3.62Å; Y172-F174 AromaticContact CD1-CG 3.99Å; Y172-F174 HydrophobicContact CD1-CG 3.99Å; Y172-F174 AromaticContact CD1-CZ 3.51Å; Y172-F174 HydrophobicContact CD1-CZ 3.51Å; Y172-F174 AromaticContact CE1-CD1 3.54Å; Y172-F174 HydrophobicContact CE1-CD1 3.54Å; Y172-F174 HydrophobicContact CE1-CD2 4.34Å; Y172-F174 AromaticContact CE1-CE1 3.41Å; Y172-F174 HydrophobicContact CE1-CE1 3.41Å; Y172-F174 VanDerWaalsContact CE1-CE1 3.41Å; Y172-F174 HydrophobicContact CE1-CE2 4.24Å; Y172-F174 HydrophobicContact CE1-CG 4.01Å; Y172-F174 AromaticContact CE1-CZ 3.78Å; Y172-F174 HydrophobicContact CE1-CZ 3.78Å; Y172-F174 HydrophobicContact CG-CZ 4.47Å; F174-N176 PolarHBondContact O-N 3.07Å; F174-T177 VanDerWaalsContact CB-OG1 3.22Å; F174-T177 WeakPolarHBondContact CB-OG1 3.4Å; F174-T177 PolarHBondContact O-N 3.29Å; F174-T177 PolarHBondContact O-OG1 3.19Å; F174-G178 PolarHBondContact O-N 3.11Å; F174-Q179 HydrophobicContact CB-CB 4.15Å; F174-Q179 HydrophobicContact CD2-CB 4.13Å; F174-Q179 PolarHBondContact N-O 2.89Å; F174-Q179 PolarHBondContact O-N 2.9Å; F174-M181 HydrophobicContact CE2-CB 3.85Å; F174-M181 HydrophobicContact CE2-CE 4.46Å; F174-M181 HydrophobicContact CZ-CE 4.32Å
175	L	90.5	Very high	95.4	Very high	72 Å²	72	34 Å²	34	38%	0.377	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-29.5	-171	-66.8	-171.3	0	0	0	113.2	E154 N155 F173	E154-L175 HydrophobicContact CB-CD1 4.15Å; E154-L175 WeakPolarHBondContact O-CD1 3.31Å; N155-L175 PolarHBondContact OD1-N 3.29Å; F173-L175 VanDerWaalsContact C-N 3.33Å; F173-L175 HydrophobicContact CB-CD2 3.83Å; F173-L175 HydrophobicContact CB-CG 4.22Å; F173-L175 PolarHBondContact O-N 3.43Å
176	N	88.8	Confident	95.3	Very high	57 Å²	57	31 Å²	31	31%	0.305	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-39	177.7	-70.7	-31	0	0	0	112.6	N153 F174 K204 S205	N153-N176 PolarHBondContact O-ND2 3.02Å; F174-N176 PolarHBondContact O-N 3.07Å; N176-K204 PolarHBondContact O-N 2.86Å; N176-S205 CarbonylContact O-C 3.52Å; N176-S205 PolarHBondContact O-N 3.1Å
177	T	90	Very high	95.2	Very high	38 Å²	38	34 Å²	34	23%	0.233	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-9.1	179.8	60	0	0	0	0	113.3	F174 Q179 S205	F174-T177 VanDerWaalsContact CB-OG1 3.22Å; F174-T177 WeakPolarHBondContact CB-OG1 3.4Å; F174-T177 PolarHBondContact O-N 3.29Å; F174-T177 PolarHBondContact O-OG1 3.19Å; T177-Q179 PolarHBondContact OG1-OE1 2.71Å; T177-S205 WeakPolarHBondContact CA-O 3.39Å
178	G	90.7	Very high	95.2	Very high	6 Å²	6	36.6 Å²	36.6	6%	0.062	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.3	45.8	-176.8	0	0	0	0	0	111.5	F174 L198	F174-G178 PolarHBondContact O-N 3.11Å; G178-L198 CarbonylContact C-O 3.54Å; G178-L198 CarbonylContact O-C 3.54Å; G178-L198 WeakPolarHBondContact O-CA 3.34Å; G178-L198 PolarHBondContact O-N 2.81Å
179	Q	94.1	Very high	95.1	Very high	29 Å²	29	39.9 Å²	39.9	14%	0.136	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	147.8	179.2	-61.3	-179.4	-52.4	0	0	111.1	F174 T177 I195 V196 D197 T207	F174-Q179 HydrophobicContact CB-CB 4.15Å; F174-Q179 HydrophobicContact CD2-CB 4.13Å; F174-Q179 PolarHBondContact N-O 2.89Å; F174-Q179 PolarHBondContact O-N 2.9Å; T177-Q179 PolarHBondContact OG1-OE1 2.71Å; Q179-I195 HydrophobicContact CB-CG2 4.21Å; Q179-V196 WeakPolarHBondContact CA-O 3.21Å; Q179-D197 PolarHBondContact NE2-OD1 3.41Å; Q179-T207 VanDerWaalsContact NE2-CG2 3.31Å
180	L	95	Very high	95.1	Very high	18 Å²	18	38.8 Å²	38.8	9%	0.094	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	125.6	174.8	166.4	63.1	0	0	0	108.5	K171 F173 I195 V196 L198	K171-L180 HydrophobicContact CB-CD1 3.85Å; K171-L180 HydrophobicContact CG-CD1 4.18Å; F173-L180 HydrophobicContact CD1-CD1 3.99Å; F173-L180 HydrophobicContact CD2-CD1 4.45Å; F173-L180 HydrophobicContact CE1-CD1 3.85Å; F173-L180 HydrophobicContact CE2-CD1 4.32Å; F173-L180 HydrophobicContact CG-CD1 4.29Å; F173-L180 HydrophobicContact CZ-CD1 4.02Å; L180-I195 CarbonylContact O-C 3.35Å; L180-I195 VanDerWaalsContact O-CA 3.29Å; L180-I195 WeakPolarHBondContact O-CA 3.42Å; L180-V196 HydrophobicContact CB-CG2 3.9Å; L180-V196 HydrophobicContact CD2-CG2 4.14Å; L180-V196 HydrophobicContact CG-CG2 4.2Å; L180-V196 PolarHBondContact N-O 2.99Å; L180-V196 PolarHBondContact O-N 2.98Å; L180-L198 HydrophobicContact CB-CB 4.18Å; L180-L198 HydrophobicContact CB-CD1 4.25Å; L180-L198 HydrophobicContact CD2-CD1 4.19Å
181	M	96	Very high	94.9	Very high	17 Å²	17	44.6 Å²	44.6	8%	0.084	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	123.3	167.3	-179.7	171.8	65.5	0	0	109.7	K171 Y172 F174 W185 P190 S193 Q194 I195	K171-M181 CarbonylContact C-O 3.47Å; K171-M181 VanDerWaalsContact CA-O 3.32Å; K171-M181 WeakPolarHBondContact CA-O 3.41Å; Y172-M181 PolarHBondContact N-O 3.24Å; Y172-M181 PolarHBondContact O-N 3.05Å; F174-M181 HydrophobicContact CE2-CB 3.85Å; F174-M181 HydrophobicContact CE2-CE 4.46Å; F174-M181 HydrophobicContact CZ-CE 4.32Å; M181-W185 HydrophobicContact CE-CH2 3.63Å; M181-W185 HydrophobicContact CE-CZ2 3.46Å; M181-W185 VanDerWaalsContact CE-CZ2 3.46Å; M181-P190 HydrophobicContact CE-CB 3.99Å; M181-P190 HydrophobicContact CE-CG 3.88Å; M181-P190 HydrophobicContact SD-CB 4.12Å; M181-P190 HydrophobicContact SD-CG 4.16Å; M181-S193 PolarHBondContact SD-OG 3.38Å; M181-Q194 CarbonylContact C-O 3.55Å; M181-Q194 VanDerWaalsContact CA-O 3.27Å; M181-Q194 WeakPolarHBondContact CA-O 3.43Å; M181-I195 HydrophobicContact CB-CG1 3.93Å; M181-I195 HydrophobicContact CG-CG1 3.92Å; M181-I195 HydrophobicContact SD-CD1 4.28Å; M181-I195 HydrophobicContact SD-CG1 4.28Å
182	E	96.5	Very high	94.6	Very high	83 Å²	83	41.2 Å²	41.2	39%	0.388	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	136.7	179.5	178.6	165.4	-163.9	0	0	110.1	K171 S193 Q194	K171-E182 WeakPolarHBondContact CE-OE1 3.43Å; K171-E182 VanDerWaalsContact CE-OE2 3.28Å; K171-E182 WeakPolarHBondContact CE-OE2 3.47Å; K171-E182 HydrophobicContact CG-CB 4.17Å; K171-E182 HydrophobicContact CG-CG 3.95Å; K171-E182 IonicContact NZ-OE1 3.09Å; K171-E182 IonicContact NZ-OE2 3.85Å; E182-S193 CarbonylContact O-C 3.48Å; E182-S193 WeakPolarHBondContact O-CA 3.48Å; E182-S193 VanDerWaalsContact O-CB 3.29Å; E182-S193 WeakPolarHBondContact O-CB 3.49Å; E182-Q194 PolarHBondContact N-O 3.05Å; E182-Q194 PolarHBondContact O-N 2.79Å
183	G	96.1	Very high	94.2	Very high	2 Å²	2	41.9 Å²	41.9	2%	0.021	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.2	-163.6	-179.1	0	0	0	0	0	115.4	G170 S192	G170-G183 PolarHBondContact N-O 3.49Å; G170-G183 PolarHBondContact O-N 2.8Å; G183-S192 CarbonylContact C-O 3.44Å; G183-S192 WeakPolarHBondContact CA-O 3.49Å
184	I	97.4	Very high	94	Very high	3 Å²	3	44.2 Å²	44.2	2%	0.015	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	128.7	174.8	-55	-57.1	0	0	0	110.3	G168 V169 K191 S192 Q227 L230 M231 I234	G168-I184 WeakPolarHBondContact O-CA 3.23Å; V169-I184 HydrophobicContact CB-CD1 4.29Å; V169-I184 HydrophobicContact CG2-CD1 3.57Å; I184-K191 PolarHBondContact O-N 3.13Å; I184-S192 PolarHBondContact N-O 2.81Å; I184-S192 PolarHBondContact O-N 2.78Å; I184-Q227 HydrophobicContact CD1-CB 4.32Å; I184-Q227 HydrophobicContact CD1-CG 4.44Å; I184-Q227 HydrophobicContact CG1-CB 3.68Å; I184-Q227 HydrophobicContact CG1-CG 3.58Å; I184-L230 HydrophobicContact CB-CB 4.42Å; I184-L230 HydrophobicContact CB-CD1 4.12Å; I184-L230 HydrophobicContact CG2-CB 3.76Å; I184-L230 HydrophobicContact CG2-CD1 4.18Å; I184-M231 HydrophobicContact CD1-CG 3.85Å; I184-M231 HydrophobicContact CD1-SD 3.75Å; I184-M231 HydrophobicContact CG1-CG 4.43Å; I184-M231 HydrophobicContact CG2-SD 4.25Å; I184-I234 HydrophobicContact CG2-CD1 3.84Å
185	W	97	Very high	93.9	Very high	9 Å²	9	45 Å²	45	3%	0.034	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	137.7	176	-65.9	71.3	0	0	0	109.8	F157 K166 N167 G168 G170 Y172 M181 D188 V189 P190 I234	F157-W185 HydrophobicContact CD2-CH2 4.43Å; F157-W185 AromaticContact CD2-CZ2 3.98Å; F157-W185 HydrophobicContact CD2-CZ2 3.98Å; F157-W185 AromaticContact CE2-CD1 3.86Å; F157-W185 AromaticContact CE2-CD2 3.81Å; F157-W185 HydrophobicContact CE2-CD2 3.81Å; F157-W185 AromaticContact CE2-CE2 3.49Å; F157-W185 VanDerWaalsContact CE2-CE2 3.49Å; F157-W185 HydrophobicContact CE2-CE3 4.48Å; F157-W185 HydrophobicContact CE2-CG 4.05Å; F157-W185 AromaticContact CE2-CZ2 3.89Å; F157-W185 HydrophobicContact CE2-CZ2 3.89Å; F157-W185 AromaticContact CE2-NE1 3.55Å; F157-W185 HydrophobicContact CZ-CD2 4.49Å; F157-W185 HydrophobicContact CZ-CG 4.39Å; K166-W185 HydrophobicContact CB-CB 3.99Å; K166-W185 HydrophobicContact CB-CD2 4.19Å; K166-W185 HydrophobicContact CB-CE3 3.98Å; K166-W185 HydrophobicContact CB-CG 4.22Å; K166-W185 HydrophobicContact CD-CD2 4.09Å; K166-W185 HydrophobicContact CD-CE3 3.5Å; K166-W185 HydrophobicContact CD-CH2 4.22Å; K166-W185 HydrophobicContact CD-CZ3 3.58Å; K166-W185 HydrophobicContact CG-CE3 4.42Å; N167-W185 CarbonylContact C-O 3.57Å; N167-W185 WeakPolarHBondContact CA-O 3.34Å; G168-W185 PolarHBondContact N-O 2.89Å; G168-W185 PolarHBondContact O-N 3.13Å; G170-W185 PolarHBondContact O-NE1 3.44Å; Y172-W185 HydrophobicContact CD2-CH2 4.08Å; Y172-W185 HydrophobicContact CD2-CZ2 4.38Å; Y172-W185 HydrophobicContact CG-CH2 4.43Å; Y172-W185 HydrophobicContact CG-CZ2 4.43Å; M181-W185 HydrophobicContact CE-CH2 3.63Å; M181-W185 HydrophobicContact CE-CZ2 3.46Å; M181-W185 VanDerWaalsContact CE-CZ2 3.46Å; W185-D188 VanDerWaalsContact CZ3-O 3.3Å; W185-D188 WeakPolarHBondContact CZ3-O 3.42Å; W185-V189 CarbonylContact C-O 3.41Å; W185-V189 WeakPolarHBondContact CA-O 3.48Å; W185-P190 HydrophobicContact CD2-CB 4.29Å; W185-P190 HydrophobicContact CE3-CB 4.41Å; W185-P190 HydrophobicContact CH2-CB 4.4Å; W185-P190 HydrophobicContact CH2-CG 4.35Å; W185-P190 HydrophobicContact CZ2-CB 4.26Å; W185-P190 HydrophobicContact CZ3-CB 4.47Å; W185-P190 HydrophobicContact CZ3-CG 4.35Å; W185-I234 WeakPolarHBondContact O-CD1 3.32Å
186	C	95.8	Very high	94	Very high	19 Å²	19	45 Å²	45	13%	0.128	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	116.7	171.5	-56.4	0	0	0	0	108	N167 D188 V189 K191	N167-C186 WeakPolarHBondContact OD1-CA 3.41Å; C186-D188 PolarHBondContact O-N 3.04Å; C186-V189 PolarHBondContact N-O 2.95Å; C186-V189 WeakPolarHBondContact O-CB 3.33Å; C186-V189 PolarHBondContact O-N 2.79Å; C186-K191 HydrophobicContact CB-CG 3.73Å
187	D	95	Very high	94.1	Very high	90 Å²	90	44.9 Å²	44.9	48%	0.481	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	54.7	-180	-70	-59.3	0	0	0	113.3	K165 K166 N167 V189	K165-D187 HydrophobicContact CD-CB 3.99Å; K165-D187 WeakPolarHBondContact CD-OD1 3.17Å; K165-D187 IonicContact NZ-OD1 2.84Å; K165-D187 PolarHBondContact NZ-OD1 3.21Å; K166-D187 PolarHBondContact O-N 3.26Å; N167-D187 PolarHBondContact OD1-N 3.43Å; D187-V189 PolarHBondContact O-N 3.25Å; D187-V189 VanDerWaalsContact O-N 3.16Å
188	D	97	Very high	93.9	Very high	70 Å²	70	46.8 Å²	46.8	37%	0.374	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.1	2.6	-177.3	-61.6	-50.3	0	0	0	116	K165 K166 W185 C186	K165-D188 WeakPolarHBondContact CA-OD1 3.24Å; K165-D188 WeakPolarHBondContact CG-OD2 3.38Å; K166-D188 WeakPolarHBondContact CG-OD1 3.4Å; K166-D188 PolarHBondContact N-OD1 3.31Å; K166-D188 PolarHBondContact O-N 3.48Å; W185-D188 VanDerWaalsContact CZ3-O 3.3Å; W185-D188 WeakPolarHBondContact CZ3-O 3.42Å; C186-D188 PolarHBondContact O-N 3.04Å
189	V	96.2	Very high	93.4	Very high	69 Å²	69	47.8 Å²	47.8	42%	0.418	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	124.2	178.1	-177.2	0	0	0	0	110.4	W185 C186 D187 K191	W185-V189 CarbonylContact C-O 3.41Å; W185-V189 WeakPolarHBondContact CA-O 3.48Å; C186-V189 PolarHBondContact N-O 2.95Å; C186-V189 WeakPolarHBondContact O-CB 3.33Å; C186-V189 PolarHBondContact O-N 2.79Å; D187-V189 PolarHBondContact O-N 3.25Å; D187-V189 VanDerWaalsContact O-N 3.16Å; V189-K191 HydrophobicContact CG1-CD 4.23Å; V189-K191 PolarHBondContact O-N 3.01Å
190	P	95.8	Very high	92.8	Very high	47 Å²	47	48.7 Å²	48.7	31%	0.305	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	118.1	169.3	29.5	-32.5	0	0	0	108.8	M181 W185	M181-P190 HydrophobicContact CE-CB 3.99Å; M181-P190 HydrophobicContact CE-CG 3.88Å; M181-P190 HydrophobicContact SD-CB 4.12Å; M181-P190 HydrophobicContact SD-CG 4.16Å; W185-P190 HydrophobicContact CD2-CB 4.29Å; W185-P190 HydrophobicContact CE3-CB 4.41Å; W185-P190 HydrophobicContact CH2-CB 4.4Å; W185-P190 HydrophobicContact CH2-CG 4.35Å; W185-P190 HydrophobicContact CZ2-CB 4.26Å; W185-P190 HydrophobicContact CZ3-CB 4.47Å; W185-P190 HydrophobicContact CZ3-CG 4.35Å
191	K	94.4	Very high	92.1	Very high	124 Å²	124	56 Å²	56	54%	0.539	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	-33.4	-177.4	-71.7	-63.8	-173.4	176.5	0	113.1	I184 C186 V189 L230	I184-K191 PolarHBondContact O-N 3.13Å; C186-K191 HydrophobicContact CB-CG 3.73Å; V189-K191 HydrophobicContact CG1-CD 4.23Å; V189-K191 PolarHBondContact O-N 3.01Å; K191-L230 HydrophobicContact CB-CD1 3.6Å; K191-L230 HydrophobicContact CB-CD2 4.05Å; K191-L230 HydrophobicContact CB-CG 4.5Å; K191-L230 HydrophobicContact CG-CD2 4.4Å
192	S	90.7	Very high	91.6	Very high	8 Å²	8	61.1 Å²	61.1	6%	0.056	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	93	178.8	177.8	0	0	0	0	108.4	G183 I184 L223 Q227	G183-S192 CarbonylContact C-O 3.44Å; G183-S192 WeakPolarHBondContact CA-O 3.49Å; I184-S192 PolarHBondContact N-O 2.81Å; I184-S192 PolarHBondContact O-N 2.78Å; S192-L223 WeakPolarHBondContact OG-CD1 3.38Å; S192-Q227 WeakPolarHBondContact OG-CG 3.36Å
193	S	90.1	Very high	91.1	Very high	44 Å²	44	58 Å²	58	31%	0.308	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	152.8	-176.7	60.3	0	0	0	0	112.9	M181 E182	M181-S193 PolarHBondContact SD-OG 3.38Å; E182-S193 CarbonylContact O-C 3.48Å; E182-S193 WeakPolarHBondContact O-CA 3.48Å; E182-S193 VanDerWaalsContact O-CB 3.29Å; E182-S193 WeakPolarHBondContact O-CB 3.49Å
194	Q	92.4	Very high	90.7	Very high	67 Å²	67	65.7 Å²	65.7	31%	0.313	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	147.1	166.6	-64.4	-175.5	-6.2	0	0	108.7	M181 E182 L223	M181-Q194 CarbonylContact C-O 3.55Å; M181-Q194 VanDerWaalsContact CA-O 3.27Å; M181-Q194 WeakPolarHBondContact CA-O 3.43Å; E182-Q194 PolarHBondContact N-O 3.05Å; E182-Q194 PolarHBondContact O-N 2.79Å; Q194-L223 HydrophobicContact CG-CD1 4.42Å; Q194-L223 HydrophobicContact CG-CD2 4.01Å
195	I	93.2	Very high	90.4	Very high	74 Å²	74	69.3 Å²	69.3	38%	0.379	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	133.6	171.8	-57.5	-176	0	0	0	107.8	Q179 L180 M181 I211	Q179-I195 HydrophobicContact CB-CG2 4.21Å; L180-I195 CarbonylContact O-C 3.35Å; L180-I195 VanDerWaalsContact O-CA 3.29Å; L180-I195 WeakPolarHBondContact O-CA 3.42Å; M181-I195 HydrophobicContact CB-CG1 3.93Å; M181-I195 HydrophobicContact CG-CG1 3.92Å; M181-I195 HydrophobicContact SD-CD1 4.28Å; M181-I195 HydrophobicContact SD-CG1 4.28Å; I195-I211 HydrophobicContact CB-CD1 4.31Å; I195-I211 HydrophobicContact CG2-CD1 3.78Å; I195-I211 WeakPolarHBondContact O-CD1 3.47Å
196	V	91.7	Very high	89.9	Confident	70 Å²	70	71.8 Å²	71.8	42%	0.424	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	146.9	174.9	-60.4	0	0	0	0	110	Q179 L180 L198	Q179-V196 WeakPolarHBondContact CA-O 3.21Å; L180-V196 HydrophobicContact CB-CG2 3.9Å; L180-V196 HydrophobicContact CD2-CG2 4.14Å; L180-V196 HydrophobicContact CG-CG2 4.2Å; L180-V196 PolarHBondContact N-O 2.99Å; L180-V196 PolarHBondContact O-N 2.98Å; V196-L198 PolarHBondContact O-N 2.89Å
197	D	90.3	Very high	89.4	Confident	55 Å²	55	72.7 Å²	72.7	29%	0.294	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	123.8	171.5	-76.3	-23.5	0	0	0	109	Q179 R200	Q179-D197 PolarHBondContact NE2-OD1 3.41Å; D197-R200 HydrophobicContact CB-CB 4.42Å; D197-R200 IonicContact OD2-NH1 3.06Å
198	L	86.1	Confident	89.1	Confident	79 Å²	79	77.7 Å²	77.7	41%	0.414	42%	0.419	S	S	.	.	S	Bend	trans	-111.4	84.1	179.1	-167.8	98.3	0	0	0	109.1	F173 G178 L180 V196	F173-L198 HydrophobicContact CD1-CD2 4.14Å; F173-L198 HydrophobicContact CE1-CD2 4.5Å; G178-L198 CarbonylContact C-O 3.54Å; G178-L198 CarbonylContact O-C 3.54Å; G178-L198 WeakPolarHBondContact O-CA 3.34Å; G178-L198 PolarHBondContact O-N 2.81Å; L180-L198 HydrophobicContact CB-CB 4.18Å; L180-L198 HydrophobicContact CB-CD1 4.25Å; L180-L198 HydrophobicContact CD2-CD1 4.19Å; V196-L198 PolarHBondContact O-N 2.89Å
199	G	80.7	Confident	88.6	Confident	27 Å²	27	78.8 Å²	78.8	28%	0.278	43%	0.432	S	S	.	.			trans	69.2	49.7	176.6	0	0	0	0	0	113.4	Q201 V202 A203	G199-Q201 PolarHBondContact O-N 2.92Å; G199-Q201 VanDerWaalsContact O-N 3.08Å; G199-V202 WeakPolarHBondContact O-CG2 3.44Å; G199-V202 PolarHBondContact O-N 2.78Å; G199-A203 PolarHBondContact O-N 3.08Å
200	R	81.1	Confident	88	Confident	47 Å²	47	83 Å²	83	18%	0.177	45%	0.447	C	S	.	.	G	3₁₀ helix	trans	-50.6	-35.8	-179	-169.8	170.4	173.6	-162.2	-8.2	113.7	D197 V202 A203 P206 T207 E208	D197-R200 HydrophobicContact CB-CB 4.42Å; D197-R200 IonicContact OD2-NH1 3.06Å; R200-V202 VanDerWaalsContact C-N 3.26Å; R200-V202 PolarHBondContact O-N 3.2Å; R200-A203 WeakPolarHBondContact O-CB 3.4Å; R200-A203 PolarHBondContact O-N 2.92Å; R200-P206 HydrophobicContact CG-CB 3.5Å; R200-P206 VanDerWaalsContact CG-CB 3.5Å; R200-T207 VanDerWaalsContact CZ-O 3.23Å; R200-T207 PolarHBondContact NE-O 2.9Å; R200-T207 VanDerWaalsContact NE-O 3.13Å; R200-T207 PolarHBondContact NH2-O 3.13Å; R200-E208 PolarHBondContact NH2-O 3.05Å
201	Q	81.6	Confident	87.6	Confident	171 Å²	171	83.9 Å²	83.9	80%	0.799	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-65.2	-20.9	178	54.5	-86.5	17.8	0	0	115.1	G199	G199-Q201 PolarHBondContact O-N 2.92Å; G199-Q201 VanDerWaalsContact O-N 3.08Å
202	V	84	Confident	87.4	Confident	125 Å²	125	83.2 Å²	83.2	76%	0.758	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-111.8	3.2	178.2	-64	0	0	0	0	112.6	G199 R200	G199-V202 WeakPolarHBondContact O-CG2 3.44Å; G199-V202 PolarHBondContact O-N 2.78Å; R200-V202 VanDerWaalsContact C-N 3.26Å; R200-V202 PolarHBondContact O-N 3.2Å
203	A	86.3	Confident	87.2	Confident	19 Å²	19	91 Å²	91	16%	0.157	49%	0.492	C	S	.	.			trans	-68	144.8	175.6	0	0	0	0	0	110.8	G199 R200 S205 P206	G199-A203 PolarHBondContact O-N 3.08Å; R200-A203 WeakPolarHBondContact O-CB 3.4Å; R200-A203 PolarHBondContact O-N 2.92Å; A203-S205 VanDerWaalsContact C-N 3.3Å; A203-S205 PolarHBondContact O-N 3.33Å; A203-P206 HydrophobicContact CB-CB 4.12Å
204	K	88.4	Confident	87.1	Confident	163 Å²	163	93.5 Å²	93.5	71%	0.709	50%	0.501	S	S	*	.	S	Bend	trans	-66	-35.4	177	-68.2	-179.4	-177.4	172.6	0	112	N176	N176-K204 PolarHBondContact O-N 2.86Å
205	S	90.2	Very high	87	Confident	78 Å²	78	99.8 Å²	99.8	55%	0.545	53%	0.528	S	S	.	.	S	Bend	trans	-147.7	73.8	-177.9	-58.1	0	0	0	0	109.2	N176 T177 A203	N176-S205 CarbonylContact O-C 3.52Å; N176-S205 PolarHBondContact O-N 3.1Å; T177-S205 WeakPolarHBondContact CA-O 3.39Å; A203-S205 VanDerWaalsContact C-N 3.3Å; A203-S205 PolarHBondContact O-N 3.33Å
206	P	86.5	Confident	86.8	Confident	61 Å²	61	101.4 Å²	101.4	40%	0.396	54%	0.536	S	S	.	.			trans	-60.6	155.1	-178.1	25.9	-33.4	0	0	0	111.4	R200 A203	R200-P206 HydrophobicContact CG-CB 3.5Å; R200-P206 VanDerWaalsContact CG-CB 3.5Å; A203-P206 HydrophobicContact CB-CB 4.12Å
207	T	86.3	Confident	86.8	Confident	39 Å²	39	108.5 Å²	108.5	24%	0.239	56%	0.561	C	S	.	*			trans	-60.2	151.9	171.4	52	0	0	0	0	110.9	Q179 R200 S209	Q179-T207 VanDerWaalsContact NE2-CG2 3.31Å; R200-T207 VanDerWaalsContact CZ-O 3.23Å; R200-T207 PolarHBondContact NE-O 2.9Å; R200-T207 VanDerWaalsContact NE-O 3.13Å; R200-T207 PolarHBondContact NH2-O 3.13Å; T207-S209 PolarHBondContact OG1-O 3Å; T207-S209 VanDerWaalsContact OG1-O 3.09Å
208	E	87.6	Confident	86.9	Confident	194 Å²	194	110.1 Å²	110.1	91%	0.907	57%	0.57	S	S	*	*	S	Bend	trans	-70.8	-37.8	178.9	-66.1	-179.4	178.2	0	0	112	R200	R200-E208 PolarHBondContact NH2-O 3.05Å
209	S	86.8	Confident	87.1	Confident	93 Å²	93	107.9 Å²	107.9	65%	0.65	56%	0.56	S	S	*	*	S	Bend	trans	-107.5	148.7	-179	-62.4	0	0	0	0	112.2	T207	T207-S209 PolarHBondContact OG1-O 3Å; T207-S209 VanDerWaalsContact OG1-O 3.09Å
210	E	84	Confident	87.6	Confident	158 Å²	158	112 Å²	112	74%	0.738	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-68.5	150.1	168.1	-73	177.5	-171.8	0	0	111.1
211	I	87.6	Confident	88.1	Confident	66 Å²	66	111.1 Å²	111.1	34%	0.338	58%	0.582	S	S	.	*	P	Polyproline II helix	trans	-67.2	123.2	170.6	-59	177.5	0	0	0	107.5	I195	I195-I211 HydrophobicContact CB-CD1 4.31Å; I195-I211 HydrophobicContact CG2-CD1 3.78Å; I195-I211 WeakPolarHBondContact O-CD1 3.47Å
212	P	88.9	Confident	88.5	Confident	109 Å²	109	107 Å²	107	71%	0.708	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-65.8	145.9	-176.4	26.5	-34	0	0	0	111.4
213	E	86.9	Confident	88.8	Confident	171 Å²	171	102.7 Å²	102.7	80%	0.799	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-63.6	137.1	177.4	-165.5	178.2	-166.8	0	0	111.5	K215	E213-K215 PolarHBondContact O-N 3.23Å
214	I	88.7	Confident	89.1	Confident	97 Å²	97	108 Å²	108	50%	0.497	56%	0.556	S	S	.	*	P	Polyproline II helix	trans	-72.9	119.5	179.7	-61.6	175.5	0	0	0	109.2	L216 P219	I214-L216 HydrophobicContact CG2-CB 3.95Å; I214-L216 HydrophobicContact CG2-CD1 4.37Å; I214-L216 HydrophobicContact CG2-CG 4.25Å; I214-P219 HydrophobicContact CG2-CB 3.65Å; I214-P219 HydrophobicContact CG2-CG 3.85Å
215	K	91.1	Very high	89.3	Confident	200 Å²	200	106.3 Å²	106.3	87%	0.87	55%	0.549	S	S	*	.			trans	-99	8.9	179.7	-58.1	-172.9	-178.8	-178.8	0	114.1	E213	E213-K215 PolarHBondContact O-N 3.23Å
216	L	89.1	Confident	89.5	Confident	107 Å²	107	105.9 Å²	105.9	56%	0.56	54%	0.54	S	S	*	.			trans	-70.7	146.3	176.1	-69.6	173	0	0	0	110	I214 P219	I214-L216 HydrophobicContact CG2-CB 3.95Å; I214-L216 HydrophobicContact CG2-CD1 4.37Å; I214-L216 HydrophobicContact CG2-CG 4.25Å; L216-P219 HydrophobicContact CB-CB 4.08Å; L216-P219 HydrophobicContact CB-CG 4.49Å; L216-P219 HydrophobicContact CD1-CB 4.31Å; L216-P219 WeakPolarHBondContact O-CD 3.45Å
217	K	90.9	Very high	89.9	Confident	219 Å²	219	105.3 Å²	105.3	95%	0.952	53%	0.532	S	S	*	.	S	Bend	trans	-68.7	-34.6	-179.6	-172.2	178.8	177.7	-176.6	0	113
218	D	93	Very high	90.2	Very high	90 Å²	90	108.4 Å²	108.4	48%	0.481	54%	0.544	S	S	.	.	S	Bend	trans	-146.2	70.7	179.6	-179.9	19.3	0	0	0	110	D220 G221 I222	D218-D220 VanDerWaalsContact C-N 3.29Å; D218-D220 PolarHBondContact O-N 3.03Å; D218-G221 WeakPolarHBondContact OD1-CA 3.28Å; D218-G221 PolarHBondContact OD1-N 3.31Å; D218-I222 WeakPolarHBondContact O-CD1 3.45Å; D218-I222 VanDerWaalsContact O-CG1 3.28Å; D218-I222 WeakPolarHBondContact O-CG1 3.22Å; D218-I222 PolarHBondContact O-N 3.34Å
219	P	90.4	Very high	90.6	Very high	32 Å²	32	103.9 Å²	103.9	21%	0.208	52%	0.523	C	S	.	.	H	α-helix	trans	-64.8	-35.9	-179.2	25.5	-31.6	0	0	0	112.2	I214 L216 I222 L223	I214-P219 HydrophobicContact CG2-CB 3.65Å; I214-P219 HydrophobicContact CG2-CG 3.85Å; L216-P219 HydrophobicContact CB-CB 4.08Å; L216-P219 HydrophobicContact CB-CG 4.49Å; L216-P219 HydrophobicContact CD1-CB 4.31Å; L216-P219 WeakPolarHBondContact O-CD 3.45Å; P219-I222 PolarHBondContact O-N 2.66Å; P219-L223 WeakPolarHBondContact O-CB 3.35Å; P219-L223 PolarHBondContact O-N 3.45Å
220	D	89.5	Confident	90.9	Very high	112 Å²	112	100.8 Å²	100.8	60%	0.599	50%	0.499	S	S	*	.	H	α-helix	trans	-70.1	-42.8	-176.3	-62.9	-28.2	0	0	0	111.5	D218 L223 K224	D218-D220 VanDerWaalsContact C-N 3.29Å; D218-D220 PolarHBondContact O-N 3.03Å; D220-L223 PolarHBondContact O-N 2.79Å; D220-K224 VanDerWaalsContact O-CB 3.26Å; D220-K224 WeakPolarHBondContact O-CB 3.32Å; D220-K224 PolarHBondContact O-N 3.08Å
221	G	91.9	Very high	91.4	Very high	30 Å²	30	95.1 Å²	95.1	31%	0.309	47%	0.473	S	S	.	.	H	α-helix	trans	-63.8	-41.7	175.7	0	0	0	0	0	112.7	D218 K225	D218-G221 WeakPolarHBondContact OD1-CA 3.28Å; D218-G221 PolarHBondContact OD1-N 3.31Å; G221-K225 PolarHBondContact O-N 2.94Å; G221-K225 VanDerWaalsContact O-N 3.11Å
222	I	90.9	Very high	91.6	Very high	85 Å²	85	97.8 Å²	97.8	44%	0.436	48%	0.484	S	S	.	.	H	α-helix	trans	-62.7	-48.7	175.1	-66.6	167.4	0	0	0	110.3	D218 P219 K224 K225 I226	D218-I222 WeakPolarHBondContact O-CD1 3.45Å; D218-I222 VanDerWaalsContact O-CG1 3.28Å; D218-I222 WeakPolarHBondContact O-CG1 3.22Å; D218-I222 PolarHBondContact O-N 3.34Å; P219-I222 PolarHBondContact O-N 2.66Å; I222-K224 PolarHBondContact O-N 2.95Å; I222-K225 PolarHBondContact O-N 3.14Å; I222-I226 HydrophobicContact CG2-CD1 3.78Å; I222-I226 WeakPolarHBondContact O-CG1 3.43Å; I222-I226 PolarHBondContact O-N 3.38Å; I222-I226 VanDerWaalsContact O-N 3.14Å
223	L	90.4	Very high	91.7	Very high	34 Å²	34	96.8 Å²	96.8	18%	0.178	47%	0.472	C	S	.	.	H	α-helix	trans	-60.2	-49.8	-179.6	-172.5	78.2	0	0	0	110.3	S192 Q194 P219 D220 K225 I226 Q227	S192-L223 WeakPolarHBondContact OG-CD1 3.38Å; Q194-L223 HydrophobicContact CG-CD1 4.42Å; Q194-L223 HydrophobicContact CG-CD2 4.01Å; P219-L223 WeakPolarHBondContact O-CB 3.35Å; P219-L223 PolarHBondContact O-N 3.45Å; D220-L223 PolarHBondContact O-N 2.79Å; L223-K225 VanDerWaalsContact C-N 3.33Å; L223-K225 PolarHBondContact O-N 2.79Å; L223-I226 PolarHBondContact O-N 2.83Å; L223-Q227 HydrophobicContact CD1-CG 4.47Å; L223-Q227 HydrophobicContact CG-CG 4.12Å; L223-Q227 WeakPolarHBondContact O-CB 3.34Å; L223-Q227 VanDerWaalsContact O-CG 3.24Å; L223-Q227 WeakPolarHBondContact O-CG 3.23Å; L223-Q227 PolarHBondContact O-N 2.9Å
224	K	91.9	Very high	91.9	Very high	129 Å²	129	89.7 Å²	89.7	56%	0.561	44%	0.439	S	S	*	.	H	α-helix	trans	-55	-48.3	-179.4	-174.5	-178.7	177.4	-173.3	0	111.7	D220 I222 I226 Q227 E228	D220-K224 VanDerWaalsContact O-CB 3.26Å; D220-K224 WeakPolarHBondContact O-CB 3.32Å; D220-K224 PolarHBondContact O-N 3.08Å; I222-K224 PolarHBondContact O-N 2.95Å; K224-I226 PolarHBondContact O-N 3.36Å; K224-Q227 PolarHBondContact O-N 3.41Å; K224-E228 WeakPolarHBondContact CE-OE1 3.37Å; K224-E228 WeakPolarHBondContact O-CG 3.22Å; K224-E228 PolarHBondContact O-N 2.69Å
225	K	93.6	Very high	92	Very high	129 Å²	129	91.4 Å²	91.4	56%	0.561	44%	0.439	S	S	*	.	H	α-helix	trans	-59	-48	178.5	-175	-175.4	178.6	-168.6	0	112	G221 I222 L223 Q227 E228 E229	G221-K225 PolarHBondContact O-N 2.94Å; G221-K225 VanDerWaalsContact O-N 3.11Å; I222-K225 PolarHBondContact O-N 3.14Å; L223-K225 VanDerWaalsContact C-N 3.33Å; L223-K225 PolarHBondContact O-N 2.79Å; K225-Q227 VanDerWaalsContact C-N 3.31Å; K225-Q227 PolarHBondContact O-N 3.13Å; K225-E228 PolarHBondContact O-N 2.81Å; K225-E229 WeakPolarHBondContact CE-OE1 3.19Å; K225-E229 WeakPolarHBondContact O-CG 3.36Å; K225-E229 PolarHBondContact O-N 2.89Å; K225-E229 VanDerWaalsContact O-N 3.13Å
226	I	93.5	Very high	91.9	Very high	69 Å²	69	87.1 Å²	87.1	35%	0.354	43%	0.429	S	S	.	.	H	α-helix	trans	-62.7	-41.6	178.9	-65.5	168.8	0	0	0	110.5	I222 L223 K224 E229 L230	I222-I226 HydrophobicContact CG2-CD1 3.78Å; I222-I226 WeakPolarHBondContact O-CG1 3.43Å; I222-I226 PolarHBondContact O-N 3.38Å; I222-I226 VanDerWaalsContact O-N 3.14Å; L223-I226 PolarHBondContact O-N 2.83Å; K224-I226 PolarHBondContact O-N 3.36Å; I226-E229 PolarHBondContact O-N 2.85Å; I226-L230 HydrophobicContact CG2-CD1 3.88Å; I226-L230 HydrophobicContact CG2-CG 4.39Å; I226-L230 VanDerWaalsContact O-CG 3.27Å; I226-L230 WeakPolarHBondContact O-CG 3.17Å; I226-L230 PolarHBondContact O-N 2.8Å
227	Q	94.3	Very high	91.7	Very high	48 Å²	48	87.6 Å²	87.6	22%	0.224	43%	0.433	C	S	.	.	H	α-helix	trans	-65.7	-39.5	179.5	-68.5	-172.2	-17.9	0	0	112.1	I184 S192 L223 K224 K225 L230 M231	I184-Q227 HydrophobicContact CD1-CB 4.32Å; I184-Q227 HydrophobicContact CD1-CG 4.44Å; I184-Q227 HydrophobicContact CG1-CB 3.68Å; I184-Q227 HydrophobicContact CG1-CG 3.58Å; S192-Q227 WeakPolarHBondContact OG-CG 3.36Å; L223-Q227 HydrophobicContact CD1-CG 4.47Å; L223-Q227 HydrophobicContact CG-CG 4.12Å; L223-Q227 WeakPolarHBondContact O-CB 3.34Å; L223-Q227 VanDerWaalsContact O-CG 3.24Å; L223-Q227 WeakPolarHBondContact O-CG 3.23Å; L223-Q227 PolarHBondContact O-N 2.9Å; K224-Q227 PolarHBondContact O-N 3.41Å; K225-Q227 VanDerWaalsContact C-N 3.31Å; K225-Q227 PolarHBondContact O-N 3.13Å; Q227-L230 PolarHBondContact O-N 2.84Å; Q227-M231 WeakPolarHBondContact O-CB 3.44Å; Q227-M231 VanDerWaalsContact O-CG 3.23Å; Q227-M231 WeakPolarHBondContact O-CG 3.38Å; Q227-M231 PolarHBondContact O-N 2.81Å
228	E	94.3	Very high	91.4	Very high	104 Å²	104	78.4 Å²	78.4	49%	0.486	39%	0.394	S	S	.	.	H	α-helix	trans	-61	-48.1	175	-74.7	171.7	172.7	0	0	111.7	K224 K225 L230 M231 E232	K224-E228 WeakPolarHBondContact CE-OE1 3.37Å; K224-E228 WeakPolarHBondContact O-CG 3.22Å; K224-E228 PolarHBondContact O-N 2.69Å; K225-E228 PolarHBondContact O-N 2.81Å; E228-L230 PolarHBondContact O-N 2.87Å; E228-M231 PolarHBondContact O-N 2.86Å; E228-E232 PolarHBondContact O-N 3.09Å
229	E	94.7	Very high	90.6	Very high	99 Å²	99	77.9 Å²	77.9	46%	0.463	40%	0.395	S	S	.	.	H	α-helix	trans	-59.6	-45.7	177.2	-70.9	173.4	-173.1	0	0	111.8	K225 I226 M231 E232 I233	K225-E229 WeakPolarHBondContact CE-OE1 3.19Å; K225-E229 WeakPolarHBondContact O-CG 3.36Å; K225-E229 PolarHBondContact O-N 2.89Å; K225-E229 VanDerWaalsContact O-N 3.13Å; I226-E229 PolarHBondContact O-N 2.85Å; E229-M231 PolarHBondContact O-N 2.79Å; E229-E232 PolarHBondContact O-N 2.93Å; E229-I233 WeakPolarHBondContact O-CG1 3.42Å; E229-I233 PolarHBondContact O-N 3.06Å; E229-I233 VanDerWaalsContact O-N 3.12Å
230	L	94.1	Very high	89.8	Confident	28 Å²	28	80.4 Å²	80.4	15%	0.147	41%	0.405	C	S	.	.	H	α-helix	trans	-64.2	-39.7	177.6	-70	169.8	0	0	0	112.2	I184 K191 I226 Q227 E228 E232 I233 I234	I184-L230 HydrophobicContact CB-CB 4.42Å; I184-L230 HydrophobicContact CB-CD1 4.12Å; I184-L230 HydrophobicContact CG2-CB 3.76Å; I184-L230 HydrophobicContact CG2-CD1 4.18Å; K191-L230 HydrophobicContact CB-CD1 3.6Å; K191-L230 HydrophobicContact CB-CD2 4.05Å; K191-L230 HydrophobicContact CB-CG 4.5Å; K191-L230 HydrophobicContact CG-CD2 4.4Å; I226-L230 HydrophobicContact CG2-CD1 3.88Å; I226-L230 HydrophobicContact CG2-CG 4.39Å; I226-L230 VanDerWaalsContact O-CG 3.27Å; I226-L230 WeakPolarHBondContact O-CG 3.17Å; I226-L230 PolarHBondContact O-N 2.8Å; Q227-L230 PolarHBondContact O-N 2.84Å; E228-L230 PolarHBondContact O-N 2.87Å; L230-E232 VanDerWaalsContact C-N 3.3Å; L230-E232 PolarHBondContact O-N 2.83Å; L230-I233 PolarHBondContact O-N 3.23Å; L230-I234 WeakPolarHBondContact O-CG1 3.25Å; L230-I234 PolarHBondContact O-N 2.99Å
231	M	93.2	Very high	88.8	Confident	39 Å²	39	80.5 Å²	80.5	19%	0.192	41%	0.405	C	S	.	.	H	α-helix	trans	-67	-30.7	177.3	-74.5	-60.7	-68.8	0	0	112.5	V169 I184 Q227 E228 E229 I234 R235	V169-M231 HydrophobicContact CG2-CE 4.48Å; V169-M231 HydrophobicContact CG2-SD 4.34Å; I184-M231 HydrophobicContact CD1-CG 3.85Å; I184-M231 HydrophobicContact CD1-SD 3.75Å; I184-M231 HydrophobicContact CG1-CG 4.43Å; I184-M231 HydrophobicContact CG2-SD 4.25Å; Q227-M231 WeakPolarHBondContact O-CB 3.44Å; Q227-M231 VanDerWaalsContact O-CG 3.23Å; Q227-M231 WeakPolarHBondContact O-CG 3.38Å; Q227-M231 PolarHBondContact O-N 2.81Å; E228-M231 PolarHBondContact O-N 2.86Å; E229-M231 PolarHBondContact O-N 2.79Å; M231-I234 HydrophobicContact SD-CD1 4.18Å; M231-R235 WeakPolarHBondContact O-CG 3.34Å; M231-R235 PolarHBondContact O-N 3.19Å; M231-R235 PolarHBondContact O-NE 2.95Å
232	E	93.2	Very high	86.8	Confident	123 Å²	123	86.6 Å²	86.6	58%	0.575	44%	0.443	S	S	*	.	H	α-helix	trans	-67.4	-45.2	170.3	-74.6	-168.6	158.6	0	0	111.8	E228 E229 L230 I234 R235 T236	E228-E232 PolarHBondContact O-N 3.09Å; E229-E232 PolarHBondContact O-N 2.93Å; L230-E232 VanDerWaalsContact C-N 3.3Å; L230-E232 PolarHBondContact O-N 2.83Å; E232-I234 VanDerWaalsContact C-N 3.32Å; E232-I234 PolarHBondContact O-N 2.86Å; E232-R235 WeakPolarHBondContact O-CB 3.36Å; E232-R235 PolarHBondContact O-N 2.95Å; E232-R235 VanDerWaalsContact O-N 3.09Å; E232-T236 WeakPolarHBondContact O-CG2 2.86Å; E232-T236 PolarHBondContact O-N 2.97Å; E232-T236 PolarHBondContact O-OG1 3.43Å
233	I	91.3	Very high	86.6	Confident	88 Å²	88	86.7 Å²	86.7	45%	0.451	44%	0.443	S	S	.	.	H	α-helix	trans	-58.9	-43	178.1	-66.8	166.2	0	0	0	111.5	E229 L230 R235 T236 N237	E229-I233 WeakPolarHBondContact O-CG1 3.42Å; E229-I233 PolarHBondContact O-N 3.06Å; E229-I233 VanDerWaalsContact O-N 3.12Å; L230-I233 PolarHBondContact O-N 3.23Å; I233-R235 VanDerWaalsContact C-N 3.33Å; I233-R235 PolarHBondContact O-N 2.81Å; I233-T236 WeakPolarHBondContact CA-OG1 3.25Å; I233-T236 PolarHBondContact O-N 2.66Å; I233-T236 PolarHBondContact O-OG1 2.8Å; I233-N237 WeakPolarHBondContact O-CB 3.45Å; I233-N237 VanDerWaalsContact O-CG 3.26Å; I233-N237 PolarHBondContact O-N 2.93Å; I233-N237 PolarHBondContact O-ND2 3.09Å
234	I	90.9	Very high	86.4	Confident	21 Å²	21	89.5 Å²	89.5	11%	0.108	46%	0.457	C	S	.	.	H	α-helix	trans	-62.8	-42.6	177.1	-66.1	164.2	0	0	0	110.4	N167 I184 W185 L230 M231 E232 N237 N238	N167-I234 HydrophobicContact CB-CG2 4.44Å; I184-I234 HydrophobicContact CG2-CD1 3.84Å; W185-I234 WeakPolarHBondContact O-CD1 3.32Å; L230-I234 WeakPolarHBondContact O-CG1 3.25Å; L230-I234 PolarHBondContact O-N 2.99Å; M231-I234 HydrophobicContact SD-CD1 4.18Å; E232-I234 VanDerWaalsContact C-N 3.32Å; E232-I234 PolarHBondContact O-N 2.86Å; I234-N237 PolarHBondContact O-N 3.43Å; I234-N238 PolarHBondContact O-N 3.19Å
235	R	90.7	Very high	86.1	Confident	134 Å²	134	87.3 Å²	87.3	51%	0.506	45%	0.452	S	S	.	.	H	α-helix	trans	-64.8	-43.2	178.6	-79.3	178.6	-83.5	174.4	-2.9	112.1	M231 E232 I233 N237 N238 N241	M231-R235 WeakPolarHBondContact O-CG 3.34Å; M231-R235 PolarHBondContact O-N 3.19Å; M231-R235 PolarHBondContact O-NE 2.95Å; E232-R235 WeakPolarHBondContact O-CB 3.36Å; E232-R235 PolarHBondContact O-N 2.95Å; E232-R235 VanDerWaalsContact O-N 3.09Å; I233-R235 VanDerWaalsContact C-N 3.33Å; I233-R235 PolarHBondContact O-N 2.81Å; R235-N237 VanDerWaalsContact C-N 3.29Å; R235-N237 PolarHBondContact O-N 2.82Å; R235-N238 PolarHBondContact O-N 2.85Å; R235-N241 PolarHBondContact O-ND2 3.32Å
236	T	89.2	Confident	85.7	Confident	109 Å²	109	84.8 Å²	84.8	67%	0.669	45%	0.445	S	S	*	.	H	α-helix	trans	-69	-28.5	179.6	53.4	0	0	0	0	112.7	E232 I233	E232-T236 WeakPolarHBondContact O-CG2 2.86Å; E232-T236 PolarHBondContact O-N 2.97Å; E232-T236 PolarHBondContact O-OG1 3.43Å; I233-T236 WeakPolarHBondContact CA-OG1 3.25Å; I233-T236 PolarHBondContact O-N 2.66Å; I233-T236 PolarHBondContact O-OG1 2.8Å
237	N	84.8	Confident	85.2	Confident	117 Å²	117	85.8 Å²	85.8	63%	0.626	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-2.7	179.4	-68.5	-20	0	0	0	113.5	I233 I234 R235 P239	I233-N237 WeakPolarHBondContact O-CB 3.45Å; I233-N237 VanDerWaalsContact O-CG 3.26Å; I233-N237 PolarHBondContact O-N 2.93Å; I233-N237 PolarHBondContact O-ND2 3.09Å; I234-N237 PolarHBondContact O-N 3.43Å; R235-N237 VanDerWaalsContact C-N 3.29Å; R235-N237 PolarHBondContact O-N 2.82Å; N237-P239 VanDerWaalsContact O-CD 3.22Å; N237-P239 WeakPolarHBondContact O-CD 2.92Å
238	N	83.3	Confident	84.6	Confident	26 Å²	26	88.3 Å²	88.3	14%	0.139	47%	0.466	C	S	.	.			trans	-73.3	115.7	178.1	-174.5	-1	0	0	0	109.8	L162 I234 R235 E240 N241	L162-N238 WeakPolarHBondContact CD1-OD1 3.41Å; L162-N238 HydrophobicContact CD2-CB 4.07Å; I234-N238 PolarHBondContact O-N 3.19Å; R235-N238 PolarHBondContact O-N 2.85Å; N238-E240 PolarHBondContact O-N 2.84Å; N238-E240 VanDerWaalsContact O-N 3.08Å; N238-E240 PolarHBondContact OD1-N 3.01Å; N238-E240 VanDerWaalsContact OD1-N 3.07Å; N238-N241 WeakPolarHBondContact O-CB 3.24Å; N238-N241 PolarHBondContact O-N 3.04Å
239	P	75.9	Confident	83.9	Confident	79 Å²	79	87.2 Å²	87.2	51%	0.513	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-64.4	-11.7	179.3	26.4	-35.1	0	0	0	114	N237 N241 S242	N237-P239 VanDerWaalsContact O-CD 3.22Å; N237-P239 WeakPolarHBondContact O-CD 2.92Å; P239-N241 VanDerWaalsContact C-N 3.28Å; P239-S242 PolarHBondContact O-OG 3.34Å
240	E	74.3	Confident	83	Confident	86 Å²	86	86.3 Å²	86.3	40%	0.402	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-79.2	-12.4	173.1	-65.2	173.7	-170.5	0	0	113	F139 H144 N238	F139-E240 WeakPolarHBondContact CD1-OE1 3.31Å; F139-E240 WeakPolarHBondContact CE1-OE1 3.39Å; H144-E240 VanDerWaalsContact CE1-CD 3.48Å; H144-E240 IonicContact CE1-OE1 3.37Å; H144-E240 PolarHBondContact CE1-OE1 3.22Å; H144-E240 IonicContact CE1-OE2 3.55Å; H144-E240 PolarHBondContact CE1-OE2 3.31Å; H144-E240 VanDerWaalsContact CE1-OE2 3.26Å; H144-E240 IonicContact ND1-OE1 2.94Å; H144-E240 IonicContact NE2-OE1 3.55Å; H144-E240 IonicContact NE2-OE2 3.91Å; N238-E240 PolarHBondContact O-N 2.84Å; N238-E240 VanDerWaalsContact O-N 3.08Å; N238-E240 PolarHBondContact OD1-N 3.01Å; N238-E240 VanDerWaalsContact OD1-N 3.07Å
241	N	67.9	Low	82.1	Confident	113 Å²	113	91.2 Å²	91.2	60%	0.604	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-93.2	1.3	177.1	-70.4	-25.6	0	0	0	113.5	R235 N238 P239	R235-N241 PolarHBondContact O-ND2 3.32Å; N238-N241 WeakPolarHBondContact O-CB 3.24Å; N238-N241 PolarHBondContact O-N 3.04Å; P239-N241 VanDerWaalsContact C-N 3.28Å
242	S	50.9	Low	81.1	Confident	159 Å²	159	95.9 Å²	95.9	100%	1.112	52%	0.519	S	S	*	.			trans	-103.2	0	180	62.7	0	0	0	0	113.5	P239	P239-S242 PolarHBondContact O-OG 3.34Å

Retrieved 242 of 242 residues in 666.1 ms (Link to these results)

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